NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5062 8.1733 120.0916 56.2769 34.5294 173.9862 3 L 4.7664 8.7003 123.9598 52.2861 43.8642 173.7043 4 Q 4.6940 9.6754 127.3802 54.0418 32.1237 173.9046 5 L 4.6180 8.6649 128.4025 54.2676 43.2955 176.2434 6 V 4.8063 8.9545 124.5287 61.1261 33.6040 174.0821 7 A 5.1110 8.8691 129.8692 49.9379 22.5919 174.9171 8 V 4.0695 8.0728 121.8533 63.2696 32.2826 175.7667 9 G 4.1327 8.7123 116.9455 44.7959 0.0000 173.0283 10 T 4.7894 7.9386 111.4620 59.2974 71.8931 170.6193 11 K 3.4400 8.3541 124.7586 55.7569 32.1029 173.9966 *13 P 4.1593 0.0000 0.0000 62.0973 33.7507 177.4624 14 D 4.3893 8.5121 120.4525 57.3018 40.8007 179.2659 15 W 4.2398 8.1242 116.8850 59.3983 28.2186 178.5773 16 V 3.0342 6.4648 118.5321 65.6847 31.0048 177.7693 17 Q 4.0525 7.8735 117.7529 59.3632 28.5162 179.2428 18 T 4.0397 8.3066 117.0123 66.5013 68.4067 177.2596 19 G 3.6235 8.3496 107.7197 47.6811 0.0000 175.2812 20 F 4.2596 8.7654 123.9251 61.6393 39.3353 177.4117 21 T 3.8097 8.1749 115.0250 66.6790 67.9802 176.5284 22 E 3.7808 7.7195 119.6611 59.3549 29.6762 178.7577 23 Y 4.0012 7.3091 116.8177 60.7143 38.1561 177.5587 24 L 3.5184 7.6345 121.2891 58.2286 41.8892 179.0351 25 R 4.0675 7.9696 116.3062 58.1911 30.0227 178.5526 26 R 3.7755 7.4765 117.5547 57.3253 30.4199 177.0670 27 F 3.3009 7.3022 117.7235 56.1664 38.0719 173.6514 28 P 4.5681 0.0000 0.0000 61.3679 32.5714 176.8858 29 K 4.2054 8.6139 119.4294 59.4877 32.2120 176.5243 30 D 4.6555 7.2836 116.8073 52.8529 39.5066 174.5077 *32 P 4.2760 0.0000 0.0000 63.4101 33.5446 176.2741 33 F 4.9851 8.7835 125.3605 56.4872 41.4635 173.7559 34 E 4.9001 8.6895 124.9506 54.3740 34.0226 174.4779 35 L 5.1468 8.5226 122.8268 53.4068 44.9742 175.3840 36 I 4.4640 8.9161 127.2483 59.6011 39.6967 174.2540 37 E 4.8766 8.7610 126.8817 55.1351 31.0313 175.4603 38 I 4.4973 8.5394 126.1468 58.6133 39.3745 173.5338 39 P 4.5979 0.0000 0.0000 62.8524 31.6635 176.0096 40 A 4.2410 8.5973 126.9198 51.5717 19.0570 177.5685 41 G 3.7361 8.6784 112.5372 45.2055 0.0000 173.4277 42 K 4.2213 8.4267 121.7137 55.9093 32.8520 178.1138 43 R 4.4347 8.2492 123.7778 54.3951 29.6841 176.3332 44 G 3.9218 7.7144 111.1004 44.3046 0.0000 171.5197 45 K 3.9715 8.6464 119.2663 58.8249 32.2590 177.8050 46 N 4.8806 7.8939 113.5592 52.5427 38.9756 174.4597 47 A 3.9342 7.5819 121.4926 52.6988 18.9680 179.0055 48 D 4.6314 8.4283 121.3459 52.7973 41.2678 177.1296 49 I 3.6839 8.0473 121.8297 63.6659 37.7404 177.7644 50 K 3.8675 8.0019 121.0087 59.2852 31.9913 178.5777 51 R 3.8962 8.1862 118.7817 59.4197 30.0180 178.5053 52 I 3.6725 7.7713 119.7495 64.2194 37.0784 178.2299 53 L 3.9442 7.8148 120.7417 58.2129 41.8678 178.6735 54 D 4.3609 8.2013 118.8744 57.3771 40.7356 179.0017 55 K 3.9684 8.2964 119.0932 59.3314 31.7921 179.2191 56 E 4.1527 8.0729 118.0911 59.4911 29.5044 179.4129 57 G 3.6928 7.9434 104.3371 47.6315 0.0000 174.9100 58 E 4.1438 8.4723 122.1017 59.1057 29.6571 179.5778 59 Q 4.0842 7.8405 115.3132 56.5527 28.5524 178.1232 *61 L 4.2080 7.9641 122.3706 54.8115 43.7969 179.1452 62 A 3.9632 8.1186 119.3023 55.1806 18.3140 179.2711 63 A 4.0332 7.7513 117.8043 55.1703 18.7551 179.4760 64 A 4.0719 7.5569 120.1809 51.9037 18.7016 179.0530 65 G 3.6256 8.0199 105.0391 47.3090 0.0000 174.6065 66 K 4.3210 8.6495 123.4550 56.1235 32.0953 176.1461 67 N 4.6475 7.7969 117.0691 52.8257 39.6228 174.8982 68 R 4.0740 8.5517 121.8041 56.8554 31.3812 175.3361 69 I 4.6668 8.7268 127.9222 60.0995 38.8364 174.7892 70 V 4.9075 8.6609 128.8231 61.2284 33.6944 174.7257 71 T 4.8145 8.6629 118.7069 60.8758 70.9829 173.8182 72 L 4.8968 8.5630 124.6995 53.9231 42.6395 175.8840 73 D 4.5277 8.8863 123.4545 52.8023 44.4591 175.8394 74 I 3.5415 8.7528 126.0901 63.8085 37.9420 174.4671 75 P 4.4866 0.0000 0.0000 62.7043 31.4757 176.5591 76 G 3.7923 7.7212 108.5544 44.5210 0.0000 173.0857 77 K 3.9240 8.1770 119.7668 55.6429 32.6447 176.4341 78 P 5.2048 0.0000 0.0000 60.4442 30.1578 176.2205 79 W 4.6956 7.7482 119.9560 57.7847 30.2636 177.1081 80 D 4.8616 9.0192 122.9980 52.6578 41.8686 177.9350 81 T 3.8807 8.2419 115.1712 66.3442 68.4339 175.1091 82 P 4.1504 0.0000 0.0000 65.6755 31.3402 178.5820 83 Q 3.7504 8.5459 117.0439 58.8188 28.5233 178.7146 84 L 3.0888 7.7806 121.0325 57.6189 42.0573 178.8864 85 A 3.7043 7.8739 120.6420 54.9676 18.2936 179.4946 86 A 3.7252 7.6306 119.2452 55.1553 18.2866 179.7771 87 E 3.2154 7.4346 117.1555 58.8970 29.0253 179.1861 88 L 3.1722 6.8108 119.6121 57.9041 42.2420 178.6284 89 E 4.0149 7.7310 118.4089 59.3290 29.4964 179.2963 90 R 3.8474 7.7067 118.7500 59.2220 29.8947 178.5828 91 W 4.5403 8.0655 118.2046 59.7679 29.1801 178.3384 92 K 4.2355 8.0591 118.6285 59.2396 31.1840 179.3274 93 L 4.1302 7.8305 118.6863 57.0854 41.6294 177.4958 94 D 4.6292 8.2401 115.2083 52.7666 39.9300 177.2852 95 G 3.9767 7.8725 107.4405 45.6369 0.0000 174.2409 96 R 4.3077 7.7507 118.2153 55.3942 31.3125 175.9297 97 D 4.6954 8.3070 119.4676 54.3192 42.7662 175.2281 98 V 4.6168 8.3730 119.9059 61.2569 33.8845 174.2711 99 S 5.1554 8.9654 124.2928 56.8314 65.3529 172.9545 100 L 5.1082 8.8835 125.1054 53.1095 43.9117 175.3114 101 L 5.0358 8.9690 125.3635 53.2660 43.8268 175.6509 102 I 4.6141 8.5802 125.2472 59.3570 39.8163 176.1520 103 G 4.0974 8.7349 114.4953 45.6635 0.0000 173.1402 104 G 4.0137 7.9976 108.4316 43.9738 0.0000 172.6176 105 P 4.1377 0.0000 0.0000 65.0514 31.4353 176.9106 106 E 4.3096 8.1843 115.3849 55.7688 29.8758 176.6642 107 G 3.7721 8.0496 107.2667 44.2957 0.0000 172.8642 108 L 4.4058 7.9499 118.1484 53.5527 43.0389 177.6581 109 S 4.3623 8.2786 117.1874 57.5327 65.1901 173.4934 110 P 4.2023 0.0000 0.0000 65.9601 31.0698 178.7776 111 A 4.0115 7.9551 118.8454 55.3464 18.2008 179.2673 112 C 4.0759 8.0534 115.1812 62.9707 27.9733 176.5354 113 K 3.9791 7.8222 118.6880 59.4105 31.6884 179.0395 114 A 4.1117 8.0218 119.9719 54.6810 18.3599 178.9943 115 A 4.2165 7.7525 117.9884 52.7786 18.9897 177.8382 116 A 3.9528 7.1308 120.5002 53.2370 18.7747 177.3645 117 E 4.3407 8.9565 123.4765 58.9608 30.4378 177.2658 118 Q 4.8129 7.9413 115.9244 54.4728 33.9089 173.9757 119 S 5.2182 8.5731 114.4757 56.4189 66.7087 172.3020 120 W 4.8391 9.2637 135.0000 55.5696 33.7310 173.4864 121 S 4.9451 8.7569 122.5262 56.8628 62.9478 174.9424 122 L 4.0633 8.4167 127.0084 56.9705 41.9908 176.6379 123 S 4.5141 6.9587 108.2885 57.5715 65.6661 176.0153 124 A 4.1623 8.6498 127.1337 54.3139 18.5913 178.4818 125 L 4.1586 7.5705 115.5348 54.6624 42.2299 177.2458 126 T 4.1459 8.2938 118.4230 63.2048 68.1480 174.3239 127 L 4.6520 8.1335 126.9678 52.3962 43.6646 175.5771 128 P 4.5255 0.0000 0.0000 62.6644 33.5334 177.1433 129 H 4.1269 9.0015 117.1075 58.6502 27.8733 175.9711 130 P 4.0288 0.0000 0.0000 65.1637 31.1048 178.3044 131 L 4.0219 7.8194 118.6928 57.9956 42.0044 178.7310 132 V 3.5399 7.7718 118.3258 66.1642 31.3605 178.1068 133 R 3.9736 7.8070 117.1002 59.3939 29.8481 179.2548 134 V 3.9165 7.6101 117.4294 66.1501 31.5693 177.9746 135 L 3.9997 8.2546 118.9628 57.7840 41.4023 179.8092 136 V 3.7017 8.2476 118.1533 65.9396 31.5128 177.9431 137 A 4.1201 8.3281 120.5721 55.2429 18.1727 179.2264 138 E 3.3389 8.2457 118.2205 59.2709 29.5264 179.2229 139 S 4.2915 8.4681 114.4597 61.4990 63.2049 176.4606 140 L 4.2664 8.6483 122.7825 57.6516 41.3218 178.7175 141 Y 3.9464 8.5704 119.7918 60.6494 38.7503 178.1742 142 R 3.6560 8.3562 119.5627 59.3229 30.2124 178.2438 143 A 3.9153 8.3439 120.8685 54.8844 18.4826 179.2711 144 W 4.1533 8.9892 128.8172 60.0448 30.6595 178.2986 145 S 3.7011 8.2619 114.4093 61.3415 62.3884 176.6572 146 I 3.5733 7.6265 123.6016 64.2445 36.7906 178.4866 147 T 3.8979 7.9378 110.3830 63.6081 68.3353 175.5757 148 T 4.1495 6.7505 109.4358 60.2695 69.2909 173.6917 149 N 4.0082 7.2710 117.3966 55.2671 36.4925 173.7717 150 H 4.9643 7.8178 113.5460 52.9843 31.5609 173.4632 151 P 4.4233 0.0000 0.0000 62.5362 31.8436 175.7512 152 Y 4.1093 8.5479 122.8751 57.8537 39.3281 174.6670 153 H 4.6137 8.5448 127.4777 54.8536 29.9591 174.6157 154 R 4.4049 8.3551 127.1994 54.5243 30.5438 176.2913 155 E 4.0489 8.3879 123.0391 56.2999 29.6510 176.1432 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 K 8.17 4.51 0.00 1.71 1.76 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.49 7.81 3 L 8.70 4.77 0.00 1.35 1.39 1.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 9.68 4.69 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.99 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 5 L 8.66 4.62 0.00 1.69 1.56 1.26 0.60 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 6 V 8.95 4.81 2.04 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 0.99 0.00 0.00 0.87 0.00 0.00 7 A 8.87 5.11 1.11 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 0.00 0.00 8 V 8.07 4.07 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 0.68 0.00 0.00 0.88 0.00 0.00 9 G 8.71 4.13 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 0.00 0.00 0.00 10 T 7.94 4.79 4.20 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 1.18 0.00 0.00 11 K 8.35 3.44 0.00 1.87 1.80 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.41 7.81 *13 P 0.00 4.16 0.00 1.47 2.00 0.00 3.24 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.11 0.00 14 D 8.51 4.39 0.00 2.76 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 15 W 8.12 4.24 0.00 3.62 3.35 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 16 V 6.46 3.03 1.63 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 0.72 0.00 0.00 -0.85 0.00 0.00 17 Q 7.87 4.05 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 18 T 8.31 4.04 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 19 G 8.35 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 0.00 0.00 0.00 20 F 8.77 4.26 0.00 3.14 3.35 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 21 T 8.17 3.81 4.48 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 1.20 0.00 0.00 22 E 7.72 3.78 0.00 1.74 1.59 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 2.50 2.35 0.00 23 Y 7.31 4.00 0.00 2.78 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 24 L 7.63 3.52 0.00 1.28 1.59 1.12 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.97 4.07 0.00 1.69 1.86 0.00 3.16 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 26 R 7.48 3.78 0.00 1.31 1.33 0.00 2.25 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.38 0.00 27 F 7.30 3.30 0.00 3.05 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 28 P 0.00 4.57 0.00 2.31 2.23 0.00 3.35 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 29 K 8.61 4.21 0.00 1.76 1.93 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 30 D 7.28 4.66 0.00 2.90 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 *32 P 0.00 4.28 0.00 2.14 2.07 0.00 3.59 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 2.04 2.25 0.00 33 F 8.78 4.99 0.00 2.13 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.90 0.00 1.82 1.73 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 2.21 2.19 0.00 35 L 8.52 5.15 0.00 1.83 1.61 0.77 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.92 4.46 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 0.88 0.00 0.00 37 E 8.76 4.88 0.00 1.80 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 2.14 2.24 0.00 38 I 8.54 4.50 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.47 0.88 0.00 0.00 39 P 0.00 4.60 0.00 2.05 2.05 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 40 A 8.60 4.24 1.23 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 0.00 0.00 0.00 41 G 8.68 3.74 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 0.00 0.00 0.00 42 K 8.43 4.22 0.00 1.75 1.75 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.39 7.81 43 R 8.25 4.43 0.00 1.76 1.85 0.00 3.18 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 44 G 7.71 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 45 K 8.65 3.97 0.00 1.70 1.85 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.52 7.81 46 N 7.89 4.88 0.00 2.72 2.77 0.00 0.00 6.84 7.35 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 47 A 7.58 3.93 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 48 D 8.43 4.63 0.00 2.74 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 49 I 8.05 3.68 1.86 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 1.51 0.70 0.90 0.00 0.00 50 K 8.00 3.87 0.00 1.83 1.98 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.49 7.81 51 R 8.19 3.90 0.00 1.94 2.05 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 52 I 7.77 3.67 1.85 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 1.39 0.59 0.89 0.00 0.00 53 L 7.81 3.94 0.00 1.86 1.82 0.94 1.11 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 54 D 8.20 4.36 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 55 K 8.30 3.97 0.00 1.87 1.84 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.74 1.61 7.81 56 E 8.07 4.15 0.00 2.10 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 2.32 2.45 0.00 57 G 7.94 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 0.00 0.00 0.00 58 E 8.47 4.14 0.00 2.08 2.13 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 2.29 2.35 0.00 59 Q 7.84 4.08 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.16 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 *61 L 7.96 4.21 0.00 1.90 1.74 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.12 3.96 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 63 A 7.75 4.03 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 64 A 7.56 4.07 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 65 G 8.02 3.63 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 0.00 0.00 0.00 66 K 8.65 4.32 0.00 1.74 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.44 7.81 67 N 7.80 4.65 0.00 2.65 2.79 0.00 0.00 6.85 6.94 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 68 R 8.55 4.07 0.00 1.80 1.57 0.00 2.29 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 69 I 8.73 4.67 1.85 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 1.07 0.61 0.89 0.00 0.00 70 V 8.66 4.91 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 1.48 0.00 0.00 0.65 0.00 0.00 71 T 8.66 4.81 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 72 L 8.56 4.90 0.00 1.61 1.51 0.16 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.89 4.53 0.00 2.69 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.75 3.54 1.84 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 1.39 1.10 0.89 0.00 0.00 75 P 0.00 4.49 0.00 2.06 2.05 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 76 G 7.72 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.18 3.92 0.00 0.79 1.09 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.51 7.81 78 P 0.00 5.20 0.00 2.23 2.11 0.00 3.35 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 79 W 7.75 4.70 0.00 3.37 2.85 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 80 D 9.02 4.86 0.00 3.00 2.89 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 81 T 8.24 3.88 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 1.17 0.00 0.00 82 P 0.00 4.15 0.00 2.09 2.03 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 83 Q 8.55 3.75 0.00 2.33 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 84 L 7.78 3.09 0.00 1.53 1.62 -0.15 0.98 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 85 A 7.87 3.70 1.23 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 0.00 0.00 0.00 86 A 7.63 3.73 1.15 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 0.00 0.00 87 E 7.43 3.22 0.00 1.16 1.12 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 1.47 1.47 0.00 88 L 6.81 3.17 0.00 1.28 1.59 1.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.73 4.01 0.00 2.07 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 2.34 2.32 0.00 90 R 7.71 3.85 0.00 1.84 1.86 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 91 W 8.07 4.54 0.00 3.48 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 92 K 8.06 4.24 0.00 1.90 1.91 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.75 7.81 93 L 7.83 4.13 0.00 1.82 1.75 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.24 4.63 0.00 2.78 2.80 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 0.00 0.00 0.00 95 G 7.87 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.75 4.31 0.00 1.91 1.84 0.00 3.31 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 97 D 8.31 4.70 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.37 4.62 1.82 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 0.18 0.00 0.00 0.56 0.00 0.00 99 S 8.97 5.16 0.00 3.68 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 0.00 100 L 8.88 5.11 0.00 1.63 1.71 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.97 5.04 0.00 1.60 1.56 0.92 0.39 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 0.00 102 I 8.58 4.61 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.31 0.87 0.00 0.00 103 G 8.73 4.10 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 0.00 104 G 8.00 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 0.00 0.00 0.00 105 P 0.00 4.14 0.00 2.02 2.11 0.00 3.56 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 106 E 8.18 4.31 0.00 1.89 1.94 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 2.22 2.33 0.00 107 G 8.05 3.77 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 0.00 0.00 0.00 108 L 7.95 4.41 0.00 1.62 1.58 0.90 0.82 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 0.00 109 S 8.28 4.36 0.00 4.03 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 0.00 110 P 0.00 4.20 0.00 2.17 2.15 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 111 A 7.96 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 112 C 8.05 4.08 0.00 3.16 2.98 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 0.00 0.00 0.00 113 K 7.82 3.98 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.60 7.81 114 A 8.02 4.11 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 0.00 115 A 7.75 4.22 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 0.00 116 A 7.13 3.95 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 0.00 117 E 8.96 4.34 0.00 2.01 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 0.00 2.35 2.42 0.00 118 Q 7.94 4.81 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 119 S 8.57 5.22 0.00 3.85 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.26 4.84 0.00 3.01 3.03 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 0.00 0.00 0.00 121 S 8.76 4.95 0.00 4.20 3.72 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 0.00 122 L 8.42 4.06 0.00 1.54 1.62 0.69 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 123 S 6.96 4.51 0.00 3.81 3.65 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 0.00 124 A 8.65 4.16 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 0.00 125 L 7.57 4.16 0.00 1.67 1.61 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.29 4.15 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 0.00 127 L 8.13 4.65 0.00 1.61 1.58 0.88 1.12 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 0.00 128 P 0.00 4.53 0.00 2.28 2.21 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 129 H 9.00 4.13 0.00 3.33 3.56 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.03 0.00 1.98 1.84 0.00 3.41 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 131 L 7.82 4.02 0.00 1.88 1.86 1.17 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.77 3.54 2.19 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 0.96 0.00 0.00 0.96 0.00 0.00 133 R 7.81 3.97 0.00 1.89 1.70 0.00 3.05 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 134 V 7.61 3.92 2.35 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 1.40 0.00 0.00 1.03 0.00 0.00 135 L 8.25 4.00 0.00 1.87 1.72 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.25 3.70 2.38 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 1.37 0.00 0.00 0.81 0.00 0.00 137 A 8.33 4.12 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 0.00 138 E 8.25 3.34 0.00 1.16 1.68 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 1.89 2.08 0.00 139 S 8.47 4.29 0.00 4.43 4.34 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 0.00 140 L 8.65 4.27 0.00 2.30 2.30 1.50 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.57 3.95 0.00 2.97 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 0.00 142 R 8.36 3.66 0.00 2.20 2.13 0.00 3.12 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 143 A 8.34 3.92 1.37 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 0.00 144 W 8.99 4.15 0.00 3.48 3.16 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 0.00 0.00 0.00 0.00 145 S 8.26 3.70 0.00 4.15 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 0.00 146 I 7.63 3.57 1.84 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 1.70 1.08 0.79 0.00 0.00 147 T 7.94 3.90 4.26 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 1.13 0.00 0.00 148 T 6.75 4.15 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 0.50 0.00 0.00 149 N 7.27 4.01 0.00 2.71 2.78 0.00 0.00 6.74 7.93 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 0.00 150 H 7.82 4.96 0.00 2.99 3.17 0.00 5.66 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 0.00 151 P 0.00 4.42 0.00 2.12 2.04 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 152 Y 8.55 4.11 0.00 2.97 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 0.00 153 H 8.54 4.61 0.00 3.13 3.11 0.00 5.81 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 8.36 4.40 0.00 1.90 1.96 0.00 3.38 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 155 E 8.39 4.05 0.00 1.72 1.67 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 2.21 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.