NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4157 8.3001 118.1903 54.5018 32.7445 174.6249 2 A 4.2578 7.6404 121.0192 52.1472 21.8179 175.4737 3 G 3.9604 9.6420 109.0963 46.2474 0.0000 172.3948 4 E 4.1383 7.4748 118.8596 56.2863 30.1567 177.1543 5 T 4.4688 8.2010 118.2647 62.2234 69.6701 173.2691 6 V 4.7666 8.1682 119.8042 60.3467 33.0240 175.6748 7 I 4.7794 8.9908 117.6820 59.7247 41.5774 173.7318 8 T 5.1404 8.4868 119.3341 61.8727 70.8222 173.8404 9 V 4.5345 9.0537 125.7435 60.9915 35.2185 174.2224 10 V 4.7606 8.2503 125.6097 61.1549 34.3129 175.2778 11 G 3.9353 7.8558 113.9596 46.0361 0.0000 170.8203 12 N 5.4759 7.7582 116.2395 51.0351 41.6398 174.8512 13 L 4.5873 8.4949 122.7974 55.4521 42.1428 178.4328 14 V 4.0149 8.9605 124.2118 65.0158 32.1962 175.0285 15 D 4.7237 7.7305 117.4077 51.9765 42.1107 174.2572 16 D 4.5294 8.3584 119.3649 53.3282 41.4299 174.9483 17 P 4.6332 0.0000 0.0000 62.9841 32.4222 175.3774 18 E 4.4609 9.4020 125.0855 54.5783 31.2034 174.2459 19 L 4.6631 8.4006 129.8680 54.2430 43.4015 175.5283 20 R 4.8116 8.6148 124.4390 54.6036 35.0467 173.7167 21 F 5.4232 8.5664 116.8972 56.1962 42.9666 175.5410 22 T 4.4465 8.9945 112.4664 60.1171 69.9211 174.0100 23 P 4.3829 0.0000 0.0000 65.5746 31.3078 177.7979 24 S 4.3164 8.0834 110.1828 58.8153 63.5116 174.8616 25 G 3.9658 8.8212 110.0035 45.2351 0.0000 173.4034 26 A 4.2725 8.0057 122.9975 51.5494 19.2168 177.5721 27 A 4.2421 8.5700 124.4821 51.8844 20.2229 176.9456 28 V 4.3699 8.1230 119.4095 60.1842 35.0223 173.2541 29 A 5.0451 8.6451 127.5796 49.9187 21.5121 175.1004 30 K 4.9230 8.6239 122.5183 54.8259 34.8973 175.5734 31 F 5.0880 8.1588 117.1428 55.9540 41.6403 172.7177 32 R 4.9549 8.9517 120.9976 55.1066 32.2026 174.8998 33 V 4.8764 9.0097 125.8437 61.1936 34.3028 174.0916 34 A 4.6158 9.2146 129.9373 50.3600 20.9201 175.2438 35 S 4.8621 8.8403 118.5030 57.3648 64.4729 172.9918 36 T 4.6522 8.2502 123.8392 61.0225 70.4546 172.3670 37 P 4.3979 0.0000 0.0000 62.4035 32.9963 176.1917 38 R 4.6898 8.2898 122.7565 55.5885 30.4675 176.4618 39 T 4.2829 8.1103 109.8425 62.5786 71.6970 172.9559 *49 D 4.4774 7.9591 121.7664 54.6929 42.1350 175.1898 50 G 4.2387 8.5063 110.0930 44.2954 0.0000 172.4268 51 E 4.2909 8.6070 119.3830 56.5653 29.7734 177.7795 52 S 4.4310 8.6918 120.3331 58.2093 64.3879 173.0871 53 L 4.5375 8.8784 125.6792 53.6499 43.6695 174.9641 54 F 5.3743 8.8353 124.7315 55.8053 41.2915 175.0883 55 L 4.8340 8.8341 122.6970 53.3104 46.0372 175.6453 56 T 4.4877 8.6566 120.6277 63.3274 69.8708 173.4068 57 C 5.2390 8.8515 124.8512 57.7826 31.4198 173.1158 58 S 5.0174 8.7218 116.3279 56.4239 65.8032 173.2927 59 V 4.8835 8.4101 122.4113 59.6677 34.6368 174.4068 60 W 5.1394 8.3952 120.1604 55.5185 32.8215 177.5126 61 R 3.6954 9.2718 120.3847 57.2303 28.5190 178.3917 62 Q 3.9642 9.0476 120.9776 60.6433 28.8767 178.3885 63 A 4.0146 8.2476 120.7013 55.4340 18.2110 179.1442 64 A 3.9031 7.9375 118.5474 55.3946 18.4168 179.8237 65 E 3.8652 7.9705 116.3745 59.7078 29.7371 178.9281 66 N 4.3051 8.5565 116.9431 56.3861 38.5020 177.6583 67 V 3.4492 8.4666 119.4358 66.0691 31.5167 177.8750 68 A 3.9432 7.8458 119.0867 55.1849 18.1564 178.7655 69 E 4.0726 8.0950 116.8829 58.6465 29.8714 178.0677 70 S 4.4753 7.8797 113.6302 58.2102 64.1289 174.3470 71 L 4.6941 7.4455 120.5277 52.9718 43.8558 175.2144 72 Q 4.4677 7.9552 117.7328 54.1362 31.7562 173.5400 73 R 4.0143 9.2297 118.7321 58.4597 30.1584 176.2979 74 G 4.0418 8.8984 113.4716 45.4625 0.0000 173.7534 75 M 4.2791 7.7151 119.6949 55.1814 33.4418 175.4546 76 R 4.9496 8.4518 122.5761 55.7410 31.9305 175.4913 77 V 4.9951 9.1716 118.8550 59.4916 36.4342 174.1141 78 I 4.9067 8.7598 122.7200 59.4110 40.5630 174.5789 79 V 5.0462 9.0365 122.7263 59.5576 35.1869 174.2905 80 Q 5.0116 8.9436 126.2846 54.7603 31.8745 174.8640 81 G 4.2472 8.4695 111.2676 46.3477 0.0000 171.0971 82 R 5.1808 8.5228 119.7899 54.2923 32.6942 175.3176 83 L 4.8379 8.8799 127.2658 54.5109 42.8667 175.9984 84 K 4.8366 9.2814 125.0282 54.5956 36.5795 174.7939 85 Q 4.6798 8.6172 122.7118 54.2825 31.9968 174.7848 86 R 4.6327 9.0598 124.5854 54.6245 33.4422 174.4328 87 S 5.3245 8.6976 120.1913 56.8583 65.7300 173.0976 88 Y 4.8378 8.5379 121.1931 56.1769 41.7606 172.6806 89 E 4.9827 8.7832 121.2069 54.5405 31.9560 175.5121 90 D 4.8170 8.7876 127.1987 51.9079 40.9680 177.2570 91 R 4.0485 8.5676 115.0766 58.0812 29.1303 176.5972 92 E 4.4439 8.2882 117.9800 55.7999 30.0629 175.9839 93 G 3.8456 8.5795 104.5419 44.7603 0.0000 173.6652 94 V 4.0223 8.0489 121.0005 61.1760 32.5745 175.0766 95 K 4.6772 8.5668 130.7025 56.2650 32.8154 175.8711 96 R 4.7775 9.0578 123.5283 54.9053 33.7567 173.7974 97 T 5.0036 8.0807 108.1210 60.3284 71.7517 173.5179 98 V 4.6115 9.0793 118.2693 59.8302 35.1446 174.1593 99 Y 5.0501 8.7474 121.3872 56.8489 39.9322 174.9570 100 E 4.8888 9.2115 121.1844 54.8882 34.9932 174.0543 101 L 4.7746 8.9877 126.2946 53.7594 43.8221 175.1021 102 D 5.0744 9.2116 128.7095 53.2869 41.8719 175.2977 103 V 4.1625 8.6578 127.6002 63.0675 31.5222 175.4812 104 D 4.8142 9.0857 127.7844 55.7484 42.4832 176.8366 105 E 4.8266 7.9828 119.2833 54.7418 33.1547 174.2178 106 V 4.9919 8.6496 126.1303 59.8819 34.2834 175.0853 107 G 4.2864 9.2849 110.6264 44.1265 0.0000 171.4524 108 A 4.5815 8.5568 125.3155 51.0890 18.9997 177.4171 109 S 4.1518 8.9390 119.0502 58.3031 63.1709 173.9737 110 L 4.8504 8.1784 124.2089 53.8587 41.9951 177.5639 111 R 4.0864 8.0738 121.9309 59.0536 30.1895 177.9776 112 S 4.7023 7.5288 110.0826 56.5847 62.7929 172.8740 113 A 4.4640 7.6022 120.6946 52.7541 21.8269 175.9191 114 T 4.4869 8.2126 109.4496 59.9072 71.5155 173.5447 115 A 4.4978 7.9856 123.0730 50.5495 21.9752 175.6528 116 K 4.2063 8.6027 123.9888 55.1428 32.4534 175.9152 117 V 4.1766 8.2629 126.7638 61.4101 32.5293 174.8163 118 T 4.5286 8.2295 123.8975 61.2456 70.2281 174.2012 119 K 4.1079 8.5724 126.8933 56.4645 32.8055 177.3026 120 T 4.1088 8.4102 111.9378 62.0116 68.9026 174.3596 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 1 M 8.30 4.42 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 A 7.64 4.26 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 9.64 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 0.00 0.00 0.00 4 E 7.47 4.14 0.00 2.16 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 2.34 2.41 0.00 5 T 8.20 4.47 4.27 0.00 0.00 0.00 0.00 0.00 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 6 V 8.17 4.77 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 0.72 0.00 0.00 0.94 0.00 0.00 7 I 8.99 4.78 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 1.25 0.90 0.92 0.00 0.00 8 T 8.49 5.14 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 1.26 0.00 0.00 9 V 9.05 4.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 10 V 8.25 4.76 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 0.85 0.00 0.00 0.93 0.00 0.00 11 G 7.86 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 0.00 0.00 0.00 12 N 7.76 5.48 0.00 2.64 2.71 0.00 0.00 7.46 6.29 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 13 L 8.49 4.59 0.00 1.62 1.79 0.80 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.96 4.01 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 0.83 0.00 0.00 1.25 0.00 0.00 15 D 7.73 4.72 0.00 2.79 2.63 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 0.00 0.00 0.00 0.00 16 D 8.36 4.53 0.00 2.69 2.63 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 0.00 0.00 0.00 0.00 17 P 0.00 4.63 0.00 1.90 2.00 0.00 3.60 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 18 E 9.40 4.46 0.00 1.98 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 0.00 2.18 2.21 0.00 19 L 8.40 4.66 0.00 1.59 1.49 0.62 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.61 4.81 0.00 1.54 1.75 0.00 3.31 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 21 F 8.57 5.42 0.00 2.86 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 22 T 8.99 4.45 4.36 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 1.48 0.00 0.00 23 P 0.00 4.38 0.00 2.09 2.20 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 24 S 8.08 4.32 0.00 4.01 4.01 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 0.00 0.00 0.00 25 G 8.82 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 0.00 0.00 0.00 26 A 8.01 4.27 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 27 A 8.57 4.24 1.08 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 0.00 0.00 28 V 8.12 4.37 1.30 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 0.51 0.00 0.00 -0.44 0.00 0.00 29 A 8.65 5.05 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 30 K 8.62 4.92 0.00 1.66 1.62 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.22 7.81 31 F 8.16 5.09 0.00 3.14 3.07 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 32 R 8.95 4.95 0.00 2.00 1.91 0.00 3.11 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 33 V 9.01 4.88 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 0.93 0.00 0.00 1.21 0.00 0.00 34 A 9.21 4.62 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.84 4.86 0.00 3.86 3.62 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 36 T 8.25 4.65 4.18 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 1.17 0.00 0.00 37 P 0.00 4.40 0.00 2.05 1.93 0.00 3.55 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 38 R 8.29 4.69 0.00 1.77 1.87 0.00 3.24 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 39 T 8.11 4.28 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 *49 D 7.96 4.48 0.00 2.61 2.68 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 50 G 8.51 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 0.00 0.00 0.00 0.00 51 E 8.61 4.29 0.00 2.13 1.93 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 2.31 1.91 0.00 52 S 8.69 4.43 0.00 3.37 3.28 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 53 L 8.88 4.54 0.00 1.65 1.41 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.84 5.37 0.00 2.95 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 55 L 8.83 4.83 0.00 1.56 1.51 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.66 4.49 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 1.15 0.00 0.00 57 C 8.85 5.24 0.00 1.54 2.31 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 58 S 8.72 5.02 0.00 3.34 3.69 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 59 V 8.41 4.88 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 0.88 0.00 0.00 1.05 0.00 0.00 60 W 8.40 5.14 0.00 3.14 3.19 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 61 R 9.27 3.70 0.00 2.11 1.86 0.00 3.20 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 62 Q 9.05 3.96 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 63 A 8.25 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 64 A 7.94 3.90 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 65 E 7.97 3.87 0.00 2.28 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 2.40 1.97 0.00 66 N 8.56 4.31 0.00 2.84 2.88 0.00 0.00 6.72 7.52 0.00 0.00 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 V 8.47 3.45 2.28 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 0.95 0.00 0.00 0.93 0.00 0.00 68 A 7.85 3.94 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 69 E 8.10 4.07 0.00 2.08 2.17 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 2.30 2.34 0.00 70 S 7.88 4.48 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.45 4.69 0.00 1.36 1.35 0.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.96 4.47 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 73 R 9.23 4.01 0.00 1.85 1.92 0.00 3.27 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 74 G 8.90 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 0.00 0.00 0.00 75 M 7.72 4.28 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.45 0.00 76 R 8.45 4.95 0.00 1.95 1.77 0.00 3.10 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 77 V 9.17 5.00 2.10 0.00 0.00 0.00 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 1.06 0.00 0.00 78 I 8.76 4.91 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 1.25 1.52 0.98 0.00 0.00 79 V 9.04 5.05 2.16 0.00 0.00 0.00 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 1.05 0.00 0.00 80 Q 8.94 5.01 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 81 G 8.47 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 0.00 0.00 0.00 0.00 82 R 8.52 5.18 0.00 1.73 1.84 0.00 3.36 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 83 L 8.88 4.84 0.00 1.64 1.62 1.02 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.28 4.84 0.00 1.71 1.63 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.54 7.81 85 Q 8.62 4.68 0.00 1.70 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.76 0.00 0.00 0.00 0.00 0.00 1.94 1.52 0.00 86 R 9.06 4.63 0.00 1.73 1.83 0.00 3.26 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 87 S 8.70 5.32 0.00 3.69 3.69 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 88 Y 8.54 4.84 0.00 3.06 2.97 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 89 E 8.78 4.98 0.00 2.06 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 2.30 2.26 0.00 90 D 8.79 4.82 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 4.05 0.00 1.95 2.14 0.00 2.99 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 92 E 8.29 4.44 0.00 1.90 1.93 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 2.18 2.32 0.00 93 G 8.58 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.05 4.02 2.33 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 0.86 0.00 0.00 0.92 0.00 0.00 95 K 8.57 4.68 0.00 2.02 1.64 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.42 1.01 7.81 96 R 9.06 4.78 0.00 1.54 1.76 0.00 2.85 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.60 0.00 97 T 8.08 5.00 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 1.13 0.00 0.00 98 V 9.08 4.61 2.16 0.00 0.00 0.00 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 0.99 0.00 0.00 99 Y 8.75 5.05 0.00 2.87 2.92 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 0.00 100 E 9.21 4.89 0.00 1.99 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 2.22 2.12 0.00 101 L 8.99 4.77 0.00 1.74 1.51 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 102 D 9.21 5.07 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.66 4.16 2.27 0.00 0.00 0.00 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 0.95 0.00 0.00 104 D 9.09 4.81 0.00 2.73 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 0.00 105 E 7.98 4.83 0.00 2.07 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 0.00 2.30 2.40 0.00 106 V 8.65 4.99 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 0.85 0.00 0.00 0.99 0.00 0.00 107 G 9.28 4.29 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 0.00 108 A 8.56 4.58 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 0.00 109 S 8.94 4.15 0.00 3.87 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 0.00 110 L 8.18 4.85 0.00 1.65 1.63 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.07 4.09 0.00 1.78 1.95 0.00 3.19 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 112 S 7.53 4.70 0.00 3.94 3.83 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 0.00 113 A 7.60 4.46 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.21 4.49 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 115 A 7.99 4.50 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 0.00 116 K 8.60 4.21 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.35 7.81 117 V 8.26 4.18 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 0.88 0.00 0.00 0.93 0.00 0.00 118 T 8.23 4.53 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 1.21 0.00 0.00 119 K 8.57 4.11 0.00 2.01 1.75 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.44 1.00 7.81 120 T 8.41 4.11 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 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.