NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5205 8.0333 117.3279 63.3995 70.5703 172.2041 3 K 4.7415 9.2428 127.2986 54.9794 33.8751 174.2002 4 I 4.9520 8.9735 126.4777 59.7149 40.4939 173.5545 5 Y 5.0015 8.9461 128.2996 56.2333 40.5464 174.1327 6 F 4.8879 8.4613 130.0506 56.8363 39.7796 174.2886 7 A 4.5151 8.8187 129.7197 50.5301 19.9752 176.4087 8 G 4.4481 8.3292 110.5881 45.1157 0.0000 171.2639 9 P 4.5565 0.0000 0.0000 62.8097 31.8518 176.1458 10 L 4.5598 6.0568 118.9339 55.5917 40.8727 177.0718 11 F 4.7716 8.0665 119.1588 60.0025 40.6843 177.3882 12 S 4.6713 7.7798 114.5991 57.4734 65.5753 174.9713 13 Q 3.9794 8.6240 121.7574 59.0447 28.4575 178.9225 14 A 3.9899 8.0235 121.3373 55.4716 18.4568 179.3079 15 D 4.4329 8.0880 116.8786 57.2386 40.9602 178.9016 16 L 3.9314 8.0719 119.5974 58.0192 41.6119 179.9182 17 R 3.9370 8.2483 118.0344 59.3389 29.9545 178.5581 18 Y 4.2370 8.1351 119.3934 60.7527 38.7528 177.5791 19 N 4.1244 8.8363 117.5835 56.3091 38.7374 177.2097 20 A 3.7663 7.8421 121.9903 55.1426 18.3232 179.0863 21 Y 3.9502 8.1614 118.1064 60.8004 38.8725 178.1819 22 L 3.5075 7.9508 120.2349 57.8466 41.6856 180.0684 23 V 3.4188 7.5806 112.4172 63.9498 31.3412 178.2691 24 E 3.8159 7.8488 119.1520 59.3705 29.2399 178.9145 25 Q 3.8956 7.2558 117.0538 58.9122 28.9620 178.5909 26 I 3.8373 7.7428 120.9928 64.4419 36.8894 178.7575 27 R 3.9655 8.3592 119.3768 59.1395 29.6813 178.8286 28 Q 4.1662 7.9227 116.4506 57.8424 28.6933 177.9234 29 L 4.1232 7.4149 121.1987 56.8947 42.6319 176.6496 30 D 4.4176 7.4149 113.8857 53.0533 44.6981 176.2995 31 K 3.9762 8.9645 126.6972 59.3805 32.1794 177.7995 32 T 4.1857 8.4433 107.6345 62.5660 69.3169 174.8908 33 I 4.0261 7.6794 124.7403 61.4596 37.7906 175.2787 34 D 4.7551 9.3586 128.2727 52.5527 42.3710 173.6926 35 L 5.0001 8.3153 127.4745 53.4668 43.9476 174.5555 36 Y 4.3831 9.3125 128.5963 56.2837 40.5224 173.6892 37 L 4.5538 7.6046 129.0606 52.5766 43.9620 174.8359 38 P 4.1797 0.0000 0.0000 65.6601 31.5545 178.7540 39 Q 3.9702 7.7871 114.5133 58.9950 28.5403 177.1741 40 E 4.0500 7.6788 116.0668 57.8347 29.4936 176.9116 41 N 4.8556 8.0860 114.7425 52.4611 39.8321 174.1238 42 A 4.2095 7.8757 121.8969 50.8923 19.3954 177.3877 43 A 3.9186 8.7459 124.6343 52.5718 18.6911 177.5764 44 I 3.8536 8.2722 124.1777 60.9052 37.8234 175.9314 45 N 4.3256 8.7587 122.2911 53.8448 38.9099 174.0661 46 D 4.6592 8.5436 121.8353 52.1185 43.7241 175.8091 47 K 3.9667 8.9274 126.4199 59.0256 32.5831 177.3261 48 S 4.3898 8.2947 113.1721 59.0745 63.0631 173.7867 49 A 4.5635 7.9520 123.5284 51.2635 19.4975 175.8985 50 Y 4.8187 8.1735 121.4876 56.3131 41.9256 173.8057 51 A 4.3193 7.3329 128.3457 50.1896 22.1197 175.7284 52 D 4.4604 8.0933 122.1679 51.6523 41.7560 176.4717 53 S 4.2143 8.6204 112.7010 61.6895 63.0040 177.2653 54 K 4.0417 7.5005 116.8232 57.1818 31.5644 178.6712 *56 I 4.0223 7.9421 120.9098 61.4597 39.0899 177.9342 57 A 3.9813 8.4508 122.1893 55.0013 18.0843 179.5104 58 L 3.8476 8.1058 118.6234 58.2323 42.0209 179.0480 59 A 3.9794 7.9028 120.2581 55.2265 18.3650 179.1899 60 D 4.3767 8.3359 117.5176 57.9066 40.9037 179.1406 61 T 3.7209 7.9994 116.2518 66.4774 68.2722 176.1965 62 E 3.8752 8.0968 121.2503 59.3968 29.3743 178.7576 63 N 4.0593 7.4674 115.3756 55.9579 38.8434 177.2023 64 V 3.1206 7.3269 119.6148 65.9644 31.4061 178.1299 65 L 4.0490 7.9477 116.5119 56.8096 41.5331 178.5534 66 A 4.1826 7.5072 119.6121 52.5158 18.8792 177.5984 67 S 4.5650 7.0864 111.9308 57.6382 64.3622 174.1952 68 D 4.6420 8.5930 121.6113 56.3545 41.4823 176.5547 69 L 4.6754 7.5873 116.7765 53.7300 46.2262 173.4691 70 L 5.1375 9.0651 128.1351 53.4676 44.5389 174.9036 71 V 4.7094 8.6809 126.2665 61.2327 33.4593 174.0248 72 A 5.0398 8.6611 129.7869 50.0450 21.7182 174.5639 73 L 4.8122 8.4871 123.5276 53.8377 42.2915 176.8464 74 L 4.5511 8.7208 123.6353 55.0096 42.5439 177.1388 75 D 4.5835 8.1676 118.7057 54.3231 41.4087 174.7228 76 G 4.3961 8.7582 106.4508 42.2124 0.0000 172.2508 77 P 4.4942 0.0000 0.0000 65.3500 31.2191 176.3365 78 T 4.7915 7.4638 106.2251 59.3744 71.8650 173.2594 79 I 3.9703 8.1893 123.2997 60.9297 37.7797 176.4516 80 D 4.4398 8.8909 123.7288 54.7498 42.3373 177.1984 81 A 4.1744 8.8445 128.4039 55.2692 18.4241 180.0212 82 G 3.5863 8.2522 103.8452 47.8478 0.0000 175.8763 83 V 3.8131 8.4154 120.6343 65.7724 31.5843 177.9285 84 A 4.0073 8.4343 120.7828 55.3745 18.2742 179.7602 85 S 4.1185 8.3700 113.7989 61.8013 62.8805 176.7733 86 E 3.9659 8.4622 121.3556 59.5173 29.1399 179.3265 87 I 3.8338 8.1556 120.1822 64.4676 37.1905 178.6771 88 G 3.6676 8.0284 106.2860 47.7489 0.0000 175.8484 89 V 3.5995 7.9422 120.5951 65.6479 31.4785 177.9276 90 A 3.9418 8.3803 120.8545 55.2674 18.3146 178.9172 91 Y 3.8802 8.3088 117.9759 60.9165 38.7397 178.2847 92 A 3.9480 8.0710 119.8433 54.1033 18.4908 178.6185 93 K 4.3663 7.4483 114.2444 55.5092 32.6601 177.0559 94 G 3.7105 7.4156 107.0552 45.8935 0.0000 173.3253 95 I 4.3214 7.7822 121.3915 59.0123 37.8443 174.3840 96 P 4.6741 0.0000 0.0000 62.8848 32.9415 175.2600 97 V 4.8350 8.5371 121.3916 61.2129 34.6252 174.1420 98 V 4.7663 8.8008 128.1139 61.3565 33.1900 174.1047 99 A 5.2468 9.4248 130.5892 50.1144 22.0653 174.6671 100 L 5.1016 8.7512 123.0855 53.5287 44.9681 174.8119 101 Y 5.2340 9.1595 127.1231 56.5471 40.8638 175.1328 102 T 4.3351 9.2804 116.4082 60.7368 70.0698 174.6137 103 D 4.0981 7.2021 122.8704 54.7649 41.2792 177.5583 104 S 4.1538 8.5811 121.1620 60.9446 63.5684 175.6585 105 R 4.3079 8.5493 119.9119 56.6737 29.9262 178.0324 106 Q 4.3689 7.9016 117.2242 58.4170 29.1463 176.8294 107 Q 4.2880 7.4549 117.5125 56.3584 29.4876 174.9851 108 G 3.9171 9.2604 108.7458 45.5795 0.0000 175.9082 109 A 3.9931 8.4010 124.8228 54.4167 18.4333 178.6484 110 D 4.6132 8.1225 113.1756 53.4239 40.1911 176.4354 111 N 4.7290 8.3045 120.5666 52.7039 39.3139 174.7913 112 H 4.3396 8.7080 125.6845 58.6546 28.6217 177.4512 113 Q 3.8509 7.8654 120.5413 58.6647 28.4059 178.2567 114 K 3.9075 8.2383 118.5725 59.4818 32.3729 179.1033 115 L 4.2812 7.9439 118.5885 58.0593 41.5866 179.2646 116 D 4.3923 8.4049 118.7463 57.3474 40.6837 178.6412 117 A 4.0269 8.4090 121.3927 55.0142 18.0662 179.3505 118 L 4.0756 7.7449 116.3533 57.2803 41.6934 178.7404 119 N 4.5370 8.2425 115.9448 54.4619 38.7152 175.1345 120 E 4.4326 7.5224 119.7581 54.9455 30.8523 175.9889 121 I 3.7808 8.1505 121.5245 62.2167 38.0572 176.3759 122 A 3.7724 8.6596 127.8454 53.9259 15.5657 176.9222 123 E 4.6745 7.8493 114.1625 56.1516 31.6289 175.8348 124 N 4.5776 8.2995 118.2917 53.6556 39.2656 174.7275 125 Q 4.2289 8.5206 123.4888 55.9852 29.5035 175.1021 126 F 5.3824 8.5468 118.5891 55.3774 39.7517 175.5963 127 H 4.4776 9.2197 124.2475 56.6052 30.4007 173.4711 128 Y 4.7825 8.3252 124.1504 55.6961 41.5717 174.1724 129 L 4.4438 7.3779 125.4297 52.0811 44.6232 176.3526 130 N 4.2796 8.1679 122.3713 53.4122 39.9329 175.7638 131 L 4.0557 8.5390 127.4932 56.8715 41.9790 178.4948 132 Y 3.9333 8.1063 120.3068 61.0401 38.8071 177.9842 133 T 3.6949 8.1669 115.9919 66.6806 68.5803 176.5938 134 V 3.5536 7.5920 119.6890 65.8854 31.4736 178.3329 135 G 3.4463 8.0446 105.5847 47.6745 0.0000 175.5988 136 L 3.3880 7.1262 120.3643 57.2984 41.9174 179.3949 137 I 3.8276 7.2802 119.2178 64.5085 36.8999 178.7258 138 K 4.2252 7.6445 117.5067 59.0071 31.9448 179.1854 139 L 4.2554 7.8514 118.7019 56.6697 42.9664 177.4632 140 N 4.8971 7.5509 115.2674 50.2504 41.0590 174.3228 141 G 4.3678 6.9615 106.9078 46.1314 0.0000 169.3147 142 R 4.5920 7.8752 118.4358 55.3062 33.6891 175.0332 143 V 4.7340 8.3869 125.0131 61.4404 33.0621 175.1180 144 V 4.7004 8.9459 121.4133 59.5909 35.0030 176.4632 145 S 5.5968 9.0131 115.2751 57.4493 63.7793 174.2624 146 S 4.7774 7.5221 115.4023 56.1310 67.3119 174.4876 147 E 4.0494 8.7568 122.0911 59.3281 29.2401 179.2343 148 E 3.9061 8.1368 118.9902 59.5849 29.7733 178.5417 149 D 4.4011 8.1673 118.8498 57.0240 40.7057 178.5696 150 L 3.9415 7.9852 120.9755 58.2090 42.0649 179.0966 151 L 3.9558 7.9064 118.8737 57.7346 41.4733 179.1032 152 E 3.8992 8.1936 119.2814 59.3228 29.3584 178.5259 153 E 3.9253 8.2480 118.4446 59.2413 30.0344 178.5070 154 I 3.8461 8.0782 120.2377 64.0715 37.1749 178.0333 155 K 3.8096 8.2704 120.6895 59.9687 31.8160 178.4654 156 Q 4.0118 8.0214 116.8805 59.0670 28.7751 178.9254 157 R 4.3367 7.5435 115.6937 56.4424 30.5923 176.5367 158 L 4.1816 7.8540 124.2405 54.9833 41.6253 176.6915 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.03 4.52 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 3 K 9.24 4.74 0.00 1.74 1.78 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.68 7.81 4 I 8.97 4.95 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 1.01 0.00 0.00 5 Y 8.95 5.00 0.00 3.13 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.46 4.89 0.00 3.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.82 4.52 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.33 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.56 0.00 2.43 2.44 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 10 L 6.06 4.56 0.00 1.46 1.45 0.81 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.07 4.77 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.78 4.67 0.00 4.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.62 3.98 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 14 A 8.02 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.09 4.43 0.00 2.77 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.07 3.93 0.00 1.89 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.25 3.94 0.00 1.92 2.00 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 18 Y 8.14 4.24 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.84 4.12 0.00 2.87 2.50 0.00 0.00 6.94 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.84 3.77 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.16 3.95 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.95 3.51 0.00 1.53 1.60 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.58 3.42 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.72 0.00 0.00 24 E 7.85 3.82 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 25 Q 7.26 3.90 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 26 I 7.74 3.84 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.22 0.92 0.00 0.00 27 R 8.36 3.97 0.00 1.80 1.92 0.00 3.02 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 28 Q 7.92 4.17 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 29 L 7.41 4.12 0.00 1.87 1.68 0.94 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.41 4.42 0.00 2.77 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.96 3.98 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 32 T 8.44 4.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 33 I 7.68 4.03 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.92 0.00 0.00 34 D 9.36 4.76 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.32 5.00 0.00 1.70 1.51 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 9.31 4.38 0.00 3.18 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.60 4.55 0.00 1.45 1.17 0.45 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.18 0.00 2.18 2.21 0.00 3.55 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 39 Q 7.79 3.97 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.05 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 40 E 7.68 4.05 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 41 N 8.09 4.86 0.00 2.68 2.86 0.00 0.00 6.92 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.88 4.21 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.75 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.27 3.85 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.92 0.00 0.00 45 N 8.76 4.33 0.00 2.74 2.81 0.00 0.00 6.70 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.54 4.66 0.00 2.79 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.93 3.97 0.00 1.91 1.96 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 48 S 8.29 4.39 0.00 3.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.95 4.56 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.17 4.82 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.33 4.32 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.09 4.46 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.62 4.21 0.00 4.02 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.50 4.04 0.00 2.09 1.86 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.43 7.81 *56 I 7.94 4.02 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.95 0.00 0.00 57 A 8.45 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.11 3.85 0.00 2.04 1.66 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.90 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.34 4.38 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.00 3.72 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 62 E 8.10 3.88 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 63 N 7.47 4.06 0.00 2.71 2.47 0.00 0.00 7.00 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.33 3.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.13 0.00 0.00 65 L 7.95 4.05 0.00 1.54 1.65 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.51 4.18 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.09 4.56 0.00 4.23 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.59 4.64 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.59 4.68 0.00 1.72 1.48 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.07 5.14 0.00 1.77 1.53 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.68 4.71 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.95 0.00 0.00 72 A 8.66 5.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.49 4.81 0.00 1.49 1.69 0.65 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.72 4.55 0.00 1.62 1.68 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.17 4.58 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.76 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.49 0.00 2.25 2.27 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 78 T 7.46 4.79 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 79 I 8.19 3.97 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.50 0.93 0.00 0.00 80 D 8.89 4.44 0.00 2.90 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.84 4.17 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.25 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.42 3.81 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.03 0.00 0.00 84 A 8.43 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.37 4.12 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.46 3.97 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 87 I 8.16 3.83 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 0.88 0.00 0.00 88 G 8.03 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.94 3.60 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 90 A 8.38 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.31 3.88 0.00 3.07 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.07 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.45 4.37 0.00 1.71 1.78 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.52 7.81 94 G 7.42 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.78 4.32 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.91 0.00 0.00 96 P 0.00 4.67 0.00 2.12 2.31 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 97 V 8.54 4.83 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00 98 V 8.80 4.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 99 A 9.42 5.25 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.75 5.10 0.00 1.78 1.56 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 9.16 5.23 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 9.28 4.34 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 103 D 7.20 4.10 0.00 2.60 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.58 4.15 0.00 3.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.55 4.31 0.00 2.07 2.17 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 106 Q 7.90 4.37 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 107 Q 7.45 4.29 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 108 G 9.26 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.40 3.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.12 4.61 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.30 4.73 0.00 2.80 2.99 0.00 0.00 6.93 8.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.71 4.34 0.00 3.48 3.58 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.87 3.85 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.09 0.00 114 K 8.24 3.91 0.00 2.01 1.87 0.00 1.60 0.00 0.00 1.12 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.56 7.81 115 L 7.94 4.28 0.00 1.95 1.77 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.40 4.39 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.41 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.74 4.08 0.00 1.82 1.79 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.24 4.54 0.00 2.86 2.89 0.00 0.00 6.96 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 7.52 4.43 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 121 I 8.15 3.78 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.91 0.00 0.00 122 A 8.66 3.77 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.85 4.67 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 124 N 8.30 4.58 0.00 2.74 2.78 0.00 0.00 7.12 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.52 4.23 0.00 1.59 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.59 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 126 F 8.55 5.38 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 9.22 4.48 0.00 3.24 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.33 4.78 0.00 3.11 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.38 4.44 0.00 1.14 1.13 -0.27 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.17 4.28 0.00 2.81 2.69 0.00 0.00 7.71 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.54 4.06 0.00 1.76 1.67 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.11 3.93 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.17 3.69 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 134 V 7.59 3.55 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.72 0.00 0.00 135 G 8.04 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.13 3.39 0.00 1.49 1.40 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.28 3.83 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.21 0.91 0.00 0.00 138 K 7.64 4.23 0.00 1.79 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.60 7.81 139 L 7.85 4.26 0.00 1.75 1.91 0.65 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 140 N 7.55 4.90 0.00 2.86 2.73 0.00 0.00 6.90 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 6.96 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.88 4.59 0.00 1.87 1.72 0.00 3.19 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 143 V 8.39 4.73 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.88 0.00 0.00 144 V 8.95 4.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.02 0.00 0.00 145 S 9.01 5.60 0.00 3.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.52 4.78 0.00 4.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.76 4.05 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 148 E 8.14 3.91 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 149 D 8.17 4.40 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.99 3.94 0.00 1.90 1.88 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.91 3.96 0.00 1.88 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.19 3.90 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 153 E 8.25 3.93 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 154 I 8.08 3.85 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 0.92 0.00 0.00 155 K 8.27 3.81 0.00 2.00 1.94 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 156 Q 8.02 4.01 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 157 R 7.54 4.34 0.00 1.95 1.97 0.00 3.17 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 158 L 7.85 4.18 0.00 1.73 1.58 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.