# 107 INDX RES C NUM NC M L S N FC H_RES H_THEOR H_OBSER DELTA_H DKL(O|T) DKL(O|R) FODMIR 1 ALA A 24 6 1 0 1 0 -1 0.572 0.00437 0.00667 -0.00230 0.00407 -0.00325 FODMIR 2 ALA A 25 5 0 0 0 0 0 0.572 0.00651 0.01250 -0.00599 0.01176 0.00524 FODMIR 3 PRO A 26 5 0 0 0 0 +1 0.300 0.00873 0.01381 -0.00508 0.00914 0.00778 FODMIR 4 GLY A 27 5 0 0 0 0 0 0.550 0.00795 0.01145 -0.00350 0.00602 0.00335 FODMIR 5 LYS A 28 4 0 0 0 0 -1 0.000 0.00712 0.00336 0.00376 -0.00364 -0.00496 FODMIR 6 PRO A 29 4 0 0 0 0 0 0.300 0.01171 0.00911 0.00260 -0.00330 -0.00034 FODMIR 7 THR A 30 5 0 0 0 0 0 0.478 0.00835 0.00755 0.00080 -0.00109 -0.00232 FODMIR 8 ILE A 31 7 1 0 0 0 +1 0.883 0.01329 0.01092 0.00237 -0.00309 0.00245 FODMIR 9 ALA A 32 5 0 0 1 0 +1 0.572 0.01121 0.01014 0.00108 -0.00148 0.00119 FODMIR 10 TRP A 33 7 1 0 0 0 -1 0.856 0.00533 0.00400 0.00133 -0.00165 -0.00490 FODMIR 11 GLY A 34 5 0 0 0 0 0 0.550 0.01138 0.00513 0.00625 -0.00590 -0.00444 FODMIR 12 ASN A 35 5 0 0 0 0 0 0.278 0.01478 0.00502 0.00976 -0.00782 -0.00450 FODMIR 13 THR A 36 5 0 0 0 0 0 0.478 0.01362 0.00808 0.00555 -0.00609 -0.00170 FODMIR 14 LYS A 37 4 0 0 0 0 0 0.000 0.01076 0.00367 0.00709 -0.00570 -0.00495 FODMIR 15 PHE A 38 7 1 0 0 0 +1 0.906 0.01809 0.01154 0.00656 -0.00749 0.00350 FODMIR 16 ALA A 39 5 0 0 1 0 +1 0.572 0.01254 0.00988 0.00266 -0.00340 0.00079 FODMIR 17 ILE A 40 6 1 0 0 0 +1 0.883 0.00842 0.01420 -0.00577 0.01069 0.00856 FODMIR 18 VAL A 41 5 0 0 0 0 0 0.811 0.00637 0.01037 -0.00400 0.00730 0.00156 FODMIR 19 GLU A 42 4 0 0 0 0 0 0.083 0.00908 0.00464 0.00445 -0.00450 -0.00469 FODMIR 20 VAL A 43 5 0 0 0 0 -1 0.811 0.00637 0.00837 -0.00200 0.00330 -0.00133 FODMIR 21 ASP A 44 3 0 0 0 0 -1 0.167 0.00497 0.00678 -0.00181 0.00304 -0.00314 FODMIR 22 GLN A 45 3 0 0 0 0 -2 0.250 0.00485 0.00327 0.00158 -0.00186 -0.00495 FODMIR 23 ALA A 46 3 0 0 0 0 -1 0.572 0.00293 0.00604 -0.00311 0.00631 -0.00380 FODMIR 24 ALA A 47 4 0 0 0 0 0 0.572 0.00261 0.01167 -0.00907 0.02526 0.00375 FODMIR 25 THR A 48 4 0 0 0 0 -1 0.478 0.00145 0.00585 -0.00439 0.01175 -0.00396 FODMIR 26 ALA A 49 4 0 0 0 0 -1 0.572 0.00144 0.00876 -0.00732 0.02284 -0.00082 FODMIR 27 TYR A 50 5 0 0 0 0 -1 0.700 0.00145 0.00568 -0.00423 0.01118 -0.00408 FODMIR 28 ASN A 51 3 0 0 0 0 -2 0.278 0.00110 0.00381 -0.00271 0.00682 -0.00493 FODMIR 29 ASN A 52 3 0 0 0 0 -2 0.278 0.00203 0.00535 -0.00332 0.00747 -0.00431 FODMIR 30 LEU A 53 6 1 0 0 0 0 0.783 0.00341 0.01391 -0.01050 0.02821 0.00799 FODMIR 31 VAL A 54 5 0 0 0 0 0 0.811 0.00352 0.01066 -0.00713 0.01701 0.00202 FODMIR 32 LYS A 55 3 0 0 0 0 -2 0.000 0.00519 0.00405 0.00113 -0.00144 -0.00488 FODMIR 33 VAL A 56 4 0 0 0 0 -2 0.811 0.00346 0.00557 -0.00211 0.00383 -0.00416 FODMIR 34 LYS A 57 3 0 0 0 0 -1 0.000 0.00692 0.00559 0.00134 -0.00173 -0.00415 FODMIR 35 ASN A 58 2 0 1 0 1 -2 0.278 0.00356 0.00295 0.00061 -0.00080 -0.00491 FODMIR 36 ALA A 59 3 0 0 0 0 0 0.572 0.00830 0.01271 -0.00440 0.00780 0.00563 FODMIR 37 ALA A 60 3 0 0 0 0 +2 0.572 0.01355 0.01575 -0.00220 0.00342 0.01186 FODMIR 38 ASP A 61 3 0 0 0 0 0 0.167 0.01393 0.00498 0.00894 -0.00739 -0.00452 FODMIR 39 VAL A 62 5 0 0 0 0 +2 0.811 0.02057 0.01436 0.00621 -0.00745 0.00889 FODMIR 40 SER A 63 4 0 0 0 0 +1 0.422 0.02026 0.00977 0.01049 -0.01028 0.00063 FODMIR 41 VAL A 64 5 0 0 0 0 +2 0.811 0.02116 0.01382 0.00734 -0.00850 0.00779 FODMIR 42 SER A 65 4 0 0 0 0 +1 0.422 0.01548 0.01250 0.00299 -0.00386 0.00524 FODMIR 43 TRP A 66 5 0 0 0 0 +2 0.856 0.01515 0.01386 0.00130 -0.00179 0.00788 FODMIR 44 ASN A 67 4 0 0 0 0 -1 0.278 0.00757 0.00766 -0.00009 0.00013 -0.00219 FODMIR 45 LEU A 68 6 1 0 0 0 0 0.783 0.00647 0.01208 -0.00561 0.01088 0.00448 FODMIR 46 TRP A 69 5 0 0 0 0 -2 0.856 0.00296 0.00496 -0.00200 0.00369 -0.00454 FODMIR 47 ASN A 70 3 0 0 0 0 -2 0.278 0.00334 0.00494 -0.00160 0.00280 -0.00454 FODMIR 48 GLY A 71 3 0 0 0 0 -1 0.550 0.00365 0.00643 -0.00278 0.00526 -0.00347 FODMIR 49 ASP A 72 2 0 1 0 1 -1 0.167 0.00501 0.00600 -0.00099 0.00156 -0.00384 FODMIR 50 THR A 73 2 0 1 0 0 0 0.478 0.00671 0.01150 -0.00480 0.00895 0.00344 FODMIR 51 GLY A 74 3 0 0 0 0 0 0.550 0.00723 0.01383 -0.00660 0.01294 0.00782 FODMIR 52 THR A 75 3 0 0 0 0 -1 0.478 0.00592 0.00936 -0.00344 0.00618 0.00002 FODMIR 53 THR A 76 4 0 0 0 0 +1 0.478 0.00970 0.01410 -0.00440 0.00761 0.00837 FODMIR 54 ALA A 77 4 0 0 0 0 +2 0.572 0.01435 0.01515 -0.00080 0.00118 0.01056 FODMIR 55 LYS A 78 4 0 0 0 0 0 0.000 0.01586 0.00652 0.00933 -0.00836 -0.00338 FODMIR 56 ILE A 79 6 1 0 0 0 +2 0.883 0.02108 0.01515 0.00593 -0.00722 0.01057 FODMIR 57 LEU A 80 7 1 0 1 0 +2 0.783 0.01645 0.01427 0.00218 -0.00293 0.00872 FODMIR 58 LEU A 81 7 1 0 0 0 +1 0.783 0.01443 0.01102 0.00341 -0.00429 0.00261 FODMIR 59 ASN A 82 5 0 0 0 0 -1 0.278 0.00703 0.00501 0.00203 -0.00246 -0.00451 FODMIR 60 GLY A 83 5 0 0 0 0 0 0.550 0.00882 0.00618 0.00264 -0.00317 -0.00369 FODMIR 61 LYS A 84 4 0 0 0 0 -1 0.000 0.00785 0.00236 0.00549 -0.00409 -0.00468 FODMIR 62 GLU A 85 4 0 0 0 0 0 0.083 0.01152 0.00310 0.00842 -0.00587 -0.00494 FODMIR 63 ALA A 86 5 0 0 0 0 0 0.572 0.01487 0.00835 0.00651 -0.00695 -0.00136 FODMIR 64 TRP A 87 6 1 0 0 0 +2 0.856 0.01481 0.01345 0.00136 -0.00187 0.00707 FODMIR 65 SER A 88 4 0 0 0 0 +1 0.422 0.01053 0.00939 0.00114 -0.00155 0.00006 FODMIR 66 GLY A 89 4 0 0 0 0 +1 0.550 0.00896 0.01283 -0.00387 0.00665 0.00586 FODMIR 67 PRO A 90 3 0 0 0 0 -1 0.300 0.00544 0.00672 -0.00128 0.00206 -0.00320 FODMIR 68 SER A 91 2 0 1 0 0 0 0.422 0.00727 0.01228 -0.00501 0.00928 0.00484 FODMIR 69 THR A 92 2 0 1 0 0 -1 0.478 0.00353 0.00570 -0.00217 0.00394 -0.00407 FODMIR 70 GLY A 93 2 0 1 0 1 0 0.550 0.00499 0.01043 -0.00544 0.01110 0.00165 FODMIR 71 SER A 94 2 0 1 0 0 -1 0.422 0.00474 0.00850 -0.00376 0.00717 -0.00116 FODMIR 72 SER A 95 2 0 1 0 0 0 0.422 0.00668 0.00937 -0.00269 0.00457 0.00003 FODMIR 73 GLY A 96 3 0 0 0 0 +1 0.550 0.01120 0.01292 -0.00173 0.00267 0.00604 FODMIR 74 THR A 97 3 0 0 0 0 +1 0.478 0.01252 0.01007 0.00245 -0.00317 0.00108 FODMIR 75 ALA A 98 4 0 0 0 0 +2 0.572 0.01739 0.01413 0.00326 -0.00424 0.00842 FODMIR 76 ASN A 99 3 0 0 0 0 0 0.278 0.01345 0.00625 0.00720 -0.00691 -0.00362 FODMIR 77 PHE A 100 5 0 0 0 0 +2 0.906 0.01831 0.01286 0.00545 -0.00655 0.00592 FODMIR 78 LYS A 101 3 0 0 0 0 0 0.000 0.01009 0.00407 0.00602 -0.00533 -0.00488 FODMIR 79 VAL A 102 5 0 0 0 0 +1 0.811 0.01301 0.01078 0.00223 -0.00293 0.00221 FODMIR 80 ASN A 103 4 0 0 0 0 -1 0.278 0.00597 0.00396 0.00201 -0.00234 -0.00491 FODMIR 81 LYS A 104 3 0 0 0 0 -2 0.000 0.00456 0.00231 0.00225 -0.00227 -0.00466 FODMIR 82 GLY A 105 4 0 0 0 0 -1 0.550 0.00553 0.00763 -0.00210 0.00354 -0.00224 FODMIR 83 GLY A 106 4 0 0 0 0 0 0.550 0.00621 0.01169 -0.00547 0.01065 0.00377 FODMIR 84 ARG A 107 4 0 0 0 0 -2 0.272 0.00395 0.00395 0.00000 -0.00001 -0.00491 FODMIR 85 TYR A 108 6 1 0 0 0 +1 0.700 0.00986 0.00960 0.00026 -0.00037 0.00037 FODMIR 86 GLN A 109 5 0 0 0 0 -1 0.250 0.00709 0.00448 0.00262 -0.00297 -0.00475 FODMIR 87 MET A 110 6 1 0 0 0 +1 0.828 0.01770 0.01179 0.00590 -0.00691 0.00396 FODMIR 88 GLN A 111 5 0 0 0 0 0 0.250 0.01427 0.00935 0.00492 -0.00570 0.00000 FODMIR 89 VAL A 112 6 1 0 0 0 +2 0.811 0.01906 0.01519 0.00387 -0.00497 0.01065 FODMIR 90 ALA A 113 5 0 0 1 0 +2 0.572 0.01721 0.01555 0.00166 -0.00228 0.01142 FODMIR 91 LEU A 114 7 1 0 0 0 +2 0.783 0.01381 0.01878 -0.00497 0.00833 0.01890 FODMIR 92 CYS A 115 6 1 0 0 0 +1 1.000 0.01129 0.02164 -0.01035 0.02033 0.02622 FODMIR 93 ASN A 116 5 0 0 0 0 0 0.278 0.00718 0.01163 -0.00445 0.00809 0.00366 FODMIR 94 ALA A 117 5 0 0 0 0 -1 0.572 0.00485 0.00616 -0.00131 0.00213 -0.00370 FODMIR 95 ASP A 118 4 0 0 0 0 -1 0.167 0.00500 0.00674 -0.00174 0.00290 -0.00318 FODMIR 96 GLY A 119 4 0 0 0 0 0 0.550 0.00814 0.01486 -0.00671 0.01288 0.00993 FODMIR 97 CYS A 120 6 1 0 1 0 +1 1.000 0.01060 0.01541 -0.00480 0.00830 0.01111 FODMIR 98 THR A 121 5 0 0 0 0 +1 0.478 0.01071 0.01400 -0.00329 0.00541 0.00816 FODMIR 99 ALA A 122 5 0 0 0 0 +1 0.572 0.01122 0.01102 0.00020 -0.00029 0.00261 FODMIR 100 SER A 123 5 0 0 0 0 +1 0.422 0.01167 0.01151 0.00016 -0.00023 0.00347 FODMIR 101 ASP A 124 4 0 0 0 0 -1 0.167 0.00612 0.00398 0.00215 -0.00248 -0.00490 FODMIR 102 ALA A 125 5 0 0 0 0 -1 0.572 0.00755 0.00794 -0.00039 0.00057 -0.00187 FODMIR 103 THR A 126 4 0 0 0 0 0 0.478 0.01086 0.00804 0.00283 -0.00349 -0.00175 FODMIR 104 GLU A 127 3 0 0 0 0 -1 0.083 0.00640 0.00388 0.00252 -0.00280 -0.00492 FODMIR 105 ILE A 128 5 0 0 0 0 +2 0.883 0.01436 0.01394 0.00042 -0.00060 0.00804 FODMIR 106 VAL A 129 5 0 0 0 0 +1 0.811 0.01022 0.01417 -0.00394 0.00667 0.00850 FODMIR 107 VAL A 130 7 1 0 1 0 +1 0.811 0.01155 0.01499 -0.00345 0.00565 0.01023