NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0779 7.8833 114.2700 60.6225 38.8409 173.9287 3 N 5.2662 8.5416 121.6420 49.4172 40.9514 172.2489 *5 K 4.2392 8.6569 125.3374 56.1745 34.4927 174.0727 6 V 4.7762 8.8526 126.8013 60.9791 34.6913 173.7182 7 A 5.0864 8.8229 129.9019 50.6908 20.8970 175.6653 8 I 5.0493 8.6598 123.9060 59.3323 40.2733 175.7544 9 S 4.4276 8.5789 121.3823 58.0472 65.1148 173.2525 *11 D 4.5235 8.3788 120.1246 53.9844 41.8513 177.1317 12 V 3.9599 8.4799 113.0565 63.9925 31.4874 177.1578 13 D 4.8073 7.5988 116.2589 52.6203 40.3725 175.3276 14 K 4.3919 7.1246 116.4003 56.1346 35.7584 174.7961 15 I 3.9501 8.4601 122.7144 61.6725 37.3903 176.7755 16 S 4.4889 8.4025 121.7110 57.7701 63.8392 173.8448 17 N 4.6300 8.7798 118.8974 56.5677 39.6854 174.2802 18 S 5.0019 8.7495 111.5755 56.6362 66.5326 175.1247 19 F 4.0458 9.2317 123.7900 61.6463 39.0114 176.4319 20 E 4.2443 8.5251 117.3904 58.7538 29.5993 177.1244 21 D 4.6015 8.0749 116.0914 53.5351 40.1761 176.5661 22 C 4.3995 6.9503 114.3882 57.6148 30.3535 173.7746 23 K 4.3020 8.6186 122.8060 59.6181 32.8290 175.9029 24 Y 5.0409 7.1944 114.4585 55.8387 41.1305 173.9891 25 F 4.7885 8.8603 119.9087 56.0245 41.0146 174.8885 26 L 4.7880 8.8469 127.3823 54.5088 43.3918 175.3770 27 I 4.7052 9.0079 128.7966 60.1957 38.8090 175.1039 28 V 4.8153 8.8218 121.6110 59.4322 34.5244 174.8332 29 R 4.7426 8.6772 125.9253 54.9924 31.7231 174.7331 30 I 4.9565 8.3131 126.8095 59.6093 40.1992 174.3105 31 D 4.6067 9.6328 125.9915 54.1250 44.7300 174.6988 32 D 4.3754 9.6664 124.6402 56.1290 38.3745 173.3344 33 N 4.2819 8.1174 108.6413 53.9544 37.4341 174.3948 34 E 4.6509 8.2919 117.9001 53.7795 32.6409 175.0924 35 V 4.0638 8.4518 125.0459 63.3358 31.9167 175.3943 36 K 4.5739 9.1689 127.4168 57.8590 33.8360 176.4800 37 S 4.7906 7.6393 112.3826 57.7482 66.1845 173.6044 38 T 5.6375 8.1484 109.2001 59.5675 72.0678 172.9904 39 K 4.5342 8.3469 122.2044 55.3405 35.9442 174.2723 40 V 4.5635 8.2222 126.8634 61.6639 32.9356 174.8229 41 I 4.4207 8.5914 128.8477 59.2000 39.8598 175.1579 42 F 4.6664 8.4956 126.4862 57.1120 39.9669 175.3327 43 N 5.2177 8.4943 123.6356 52.8369 36.4504 172.3544 44 D 5.1040 7.7457 124.0538 51.6031 43.4770 177.7643 45 E 4.0308 8.8827 117.0117 61.7926 29.3172 175.1538 46 S 4.5569 8.2267 113.8403 61.1462 62.5669 176.2851 47 G 4.3090 8.8522 110.2132 47.3158 0.0000 175.7783 48 K 4.1611 8.4222 120.7665 59.3093 31.9029 179.6217 49 K 4.1809 7.8451 117.5075 59.5800 32.0284 179.6213 50 S 4.1643 8.3985 115.6821 61.5957 62.4993 176.5804 51 I 3.6481 7.8114 120.6208 63.9595 37.7865 177.8429 52 V 3.8371 7.3978 116.7446 65.9825 31.1748 178.2501 53 K 4.0285 7.6362 117.1165 59.2110 31.8875 178.8881 54 E 3.9871 7.9450 117.8775 56.8240 30.1860 176.2046 55 N 4.1405 7.8279 116.1932 54.5706 37.6409 174.2648 56 V 3.9197 7.4579 110.0129 61.6148 32.8025 176.6697 57 N 4.7688 9.1531 119.4209 55.7656 39.7599 175.0455 58 A 5.0504 7.7519 117.9276 50.9333 23.0204 175.1429 59 I 4.9215 8.6619 120.1144 59.5077 41.1892 174.7855 60 I 5.1948 8.7377 126.9070 59.7709 39.7695 174.5694 61 C 4.9943 8.8770 120.7583 57.5309 33.0545 175.1125 62 K 4.0538 8.7197 118.0884 58.2645 32.5606 177.1522 63 N 5.1563 7.6574 111.4141 51.9976 42.8041 173.1141 64 I 5.0020 7.8349 118.7934 58.6656 41.2880 175.2493 65 S 4.5252 9.5374 121.8079 57.8544 65.1587 175.2699 66 E 4.0941 8.8810 125.0210 60.3424 29.2223 180.1738 67 E 4.0308 8.1920 117.6194 61.4094 29.8264 180.7274 68 N 4.7285 8.5090 118.0940 56.0392 38.4171 176.9007 69 Y 3.9280 8.6127 121.3924 60.5381 38.6737 177.9632 70 K 3.9038 8.2699 119.4330 59.4961 31.4284 178.1821 71 K 3.8754 8.0582 119.5027 59.7551 32.0885 178.7832 72 F 4.3918 8.3362 118.2714 60.0015 38.7034 177.8895 73 S 4.3729 7.6940 114.1557 59.8311 62.6780 176.0481 74 K 3.9475 7.1113 122.5949 58.7799 31.8509 177.2930 75 K 4.4105 7.8880 117.1358 56.2084 34.5044 175.6194 76 I 4.6542 7.8598 119.0676 59.2752 40.5109 174.8610 77 E 4.4373 8.4824 124.3057 55.6789 31.2901 175.3860 78 I 4.8908 8.0230 124.1647 59.7643 40.1566 174.0190 79 Y 5.0785 9.2612 124.9424 56.3455 41.3236 174.2794 80 H 5.2077 9.2148 123.3313 54.9188 30.6565 174.9636 81 A 4.3617 8.7380 128.7650 52.1194 19.2131 176.8240 82 E 4.3210 9.4529 121.3531 55.2050 30.7646 177.4526 83 G 3.8919 8.4484 115.2085 45.0637 0.0000 171.2607 84 D 4.5073 8.4019 116.0796 54.9017 41.9386 175.4506 85 D 4.9448 7.8233 119.6140 52.6623 42.2648 176.8624 86 V 3.6531 8.2939 128.1810 65.0160 31.5015 178.0601 87 D 4.3042 8.1185 119.0841 56.8509 40.7138 178.2191 88 K 3.8829 8.5793 120.3654 59.8406 32.0861 178.5686 89 N 4.3735 8.2706 116.5448 56.2306 38.4084 177.5188 90 I 3.7317 8.0169 121.4220 64.4295 37.2077 178.5190 91 S 4.1537 8.2137 115.9392 61.7686 62.6402 176.7687 92 L 3.9859 8.1780 121.7139 57.6578 41.3418 179.3442 93 F 3.8511 8.4935 120.7089 61.4534 39.1579 177.2179 94 I 3.6199 7.7310 117.8472 64.4083 37.0310 177.9160 95 E 4.1488 8.0937 117.4221 57.0357 29.2697 177.8324 96 G 3.6825 7.5746 106.9800 46.0034 0.0000 173.8461 97 E 4.5298 8.1559 116.9331 55.8542 30.2577 176.1217 98 L 4.6264 7.6857 119.9803 53.8277 43.2708 176.6087 99 S 4.5933 8.7030 118.5861 58.1207 64.5922 172.9543 100 K 4.3938 8.5276 124.9960 55.2522 33.0014 176.3242 101 I 3.9104 8.8541 129.9087 61.3668 37.4978 175.9721 102 S 4.6535 8.4313 118.7034 58.3113 64.4570 174.1920 103 N 4.4691 7.3538 116.4458 50.5665 42.4095 172.3433 104 P 4.2204 0.0000 0.0000 62.9985 31.5289 176.1200 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 I 7.88 4.08 1.90 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 1.57 0.59 0.84 0.00 0.00 3 N 8.54 5.27 0.00 2.66 2.78 0.00 0.00 7.18 6.73 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 *5 K 8.66 4.24 0.00 1.87 1.73 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 6 V 8.85 4.78 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.41 0.00 0.00 7 A 8.82 5.09 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.66 5.05 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.90 0.00 0.00 9 S 8.58 4.43 0.00 3.85 4.09 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 0.00 0.00 0.00 0.00 *11 D 8.38 4.52 0.00 2.87 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 3.96 2.15 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 0.82 0.00 0.00 0.97 0.00 0.00 13 D 7.60 4.81 0.00 2.77 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 14 K 7.12 4.39 0.00 1.87 1.77 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.26 7.81 15 I 8.46 3.95 1.84 0.00 0.00 0.84 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 0.64 0.93 0.00 0.00 16 S 8.40 4.49 0.00 4.03 3.86 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 17 N 8.78 4.63 0.00 2.87 3.19 0.00 0.00 6.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.75 5.00 0.00 4.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.23 4.05 0.00 3.13 3.20 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 20 E 8.53 4.24 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 21 D 8.07 4.60 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.95 4.40 0.00 2.86 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 23 K 8.62 4.30 0.00 1.96 1.96 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.70 1.87 7.81 24 Y 7.19 5.04 0.00 2.82 2.71 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 25 F 8.86 4.79 0.00 2.95 2.88 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 0.00 0.00 0.00 26 L 8.85 4.79 0.00 1.85 1.53 1.08 0.89 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 27 I 9.01 4.71 1.88 0.00 0.00 0.87 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 0.98 0.96 0.00 0.00 28 V 8.82 4.82 2.05 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 0.66 0.00 0.00 0.90 0.00 0.00 29 R 8.68 4.74 0.00 1.95 1.79 0.00 3.10 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 30 I 8.31 4.96 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.97 0.00 0.00 31 D 9.63 4.61 0.00 2.58 2.44 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 32 D 9.67 4.38 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.12 4.28 0.00 2.89 2.88 0.00 0.00 6.52 7.14 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 34 E 8.29 4.65 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 35 V 8.45 4.06 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 0.86 0.00 0.00 0.94 0.00 0.00 36 K 9.17 4.57 0.00 1.63 1.83 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.51 7.81 37 S 7.64 4.79 0.00 3.85 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 38 T 8.15 5.64 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 1.21 0.00 0.00 39 K 8.35 4.53 0.00 1.80 1.62 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.40 7.81 40 V 8.22 4.56 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.55 0.00 0.00 41 I 8.59 4.42 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 1.09 0.00 0.00 42 F 8.50 4.67 0.00 3.05 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.49 5.22 0.00 2.04 2.75 0.00 0.00 7.00 8.09 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 44 D 7.75 5.10 0.00 2.94 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 45 E 8.88 4.03 0.00 1.99 2.02 0.00 0.00 0.00 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 1.95 0.00 46 S 8.23 4.56 0.00 3.92 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.85 4.31 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 0.00 48 K 8.42 4.16 0.00 2.10 2.01 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.66 1.80 7.81 49 K 7.85 4.18 0.00 2.08 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 50 S 8.40 4.16 0.00 4.07 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 51 I 7.81 3.65 1.62 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 1.16 0.33 0.96 0.00 0.00 52 V 7.40 3.84 2.24 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 0.91 0.00 0.00 0.94 0.00 0.00 53 K 7.64 4.03 0.00 1.89 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.67 7.81 54 E 7.95 3.99 0.00 2.12 2.02 0.00 0.00 0.00 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 2.46 0.00 55 N 7.83 4.14 0.00 2.78 2.84 0.00 0.00 7.22 7.59 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 56 V 7.46 3.92 2.20 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 0.74 0.00 0.00 0.95 0.00 0.00 57 N 9.15 4.77 0.00 2.87 2.94 0.00 0.00 6.97 7.09 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 58 A 7.75 5.05 1.40 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 59 I 8.66 4.92 1.75 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.53 0.90 0.00 0.00 60 I 8.74 5.19 1.84 0.00 0.00 0.69 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 1.14 0.94 0.00 0.00 61 C 8.88 4.99 0.00 3.10 3.17 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 62 K 8.72 4.05 0.00 1.95 1.92 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.42 7.81 63 N 7.66 5.16 0.00 2.96 2.68 0.00 0.00 6.41 7.09 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 64 I 7.83 5.00 1.87 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 0.98 0.00 0.00 65 S 9.54 4.53 0.00 4.11 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.88 4.09 0.00 2.06 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 0.00 2.39 2.39 0.00 67 E 8.19 4.03 0.00 1.97 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 2.31 1.97 0.00 68 N 8.51 4.73 0.00 2.94 2.88 0.00 0.00 6.72 7.22 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 69 Y 8.61 3.93 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 70 K 8.27 3.90 0.00 2.19 2.02 0.00 1.98 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.33 7.81 71 K 8.06 3.88 0.00 1.72 1.86 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.28 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.34 1.05 7.81 72 F 8.34 4.39 0.00 2.92 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 73 S 7.69 4.37 0.00 3.50 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.11 3.95 0.00 1.82 1.86 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.55 7.81 75 K 7.89 4.41 0.00 1.61 1.76 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.46 7.81 76 I 7.86 4.65 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.91 0.00 0.00 77 E 8.48 4.44 0.00 2.17 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 78 I 8.02 4.89 1.91 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.90 0.00 0.00 79 Y 9.26 5.08 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 9.21 5.21 0.00 3.17 3.29 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.74 4.36 1.21 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 0.00 0.00 82 E 9.45 4.32 0.00 1.91 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 0.00 2.29 2.41 0.00 83 G 8.45 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.40 4.51 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 4.94 0.00 2.70 2.55 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 0.00 0.00 0.00 0.00 86 V 8.29 3.65 2.06 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 0.77 0.00 0.00 0.91 0.00 0.00 87 D 8.12 4.30 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.58 3.88 0.00 1.91 1.99 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.37 7.81 89 N 8.27 4.37 0.00 2.88 2.87 0.00 0.00 7.08 6.67 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 90 I 8.02 3.73 2.02 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 1.47 0.83 0.94 0.00 0.00 91 S 8.21 4.15 0.00 4.05 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 3.99 0.00 1.87 1.74 1.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.49 3.85 0.00 3.14 3.21 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 94 I 7.73 3.62 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.96 0.90 0.00 0.00 95 E 8.09 4.15 0.00 2.10 1.97 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 2.32 2.39 0.00 96 G 7.57 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.16 4.53 0.00 1.94 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 0.00 2.24 2.37 0.00 98 L 7.69 4.63 0.00 1.58 1.80 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.70 4.59 0.00 3.86 3.82 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 0.00 100 K 8.53 4.39 0.00 1.67 1.65 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 0.93 7.81 101 I 8.85 3.91 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.78 0.00 0.00 102 S 8.43 4.65 0.00 3.94 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 0.00 103 N 7.35 4.47 0.00 2.51 2.53 0.00 0.00 6.94 8.02 0.00 0.00 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 P 0.00 4.22 0.00 2.18 1.89 0.00 3.50 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.