NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.8037 8.2116 122.9451 51.6137 19.9359 176.2601 3 D 4.2179 8.3740 120.8428 52.1586 41.3182 175.5862 4 K 3.7213 9.5693 128.0402 59.1989 33.3160 176.6095 5 E 4.4648 7.9045 116.3703 55.7955 29.9624 176.0181 6 L 3.8549 8.3584 121.9266 55.6752 42.6012 175.9156 7 K 4.7701 8.5219 126.6325 55.4662 33.5982 174.9124 8 F 5.2577 9.5567 127.0083 56.0058 41.6142 174.5718 9 L 5.0973 8.8290 124.3230 53.3689 44.6565 174.9782 10 V 4.7472 9.1745 127.0818 61.2531 33.9009 174.3335 11 V 4.8442 8.6894 128.3491 61.3751 34.0611 173.6712 12 D 4.8903 8.7540 125.2296 53.6841 44.9167 175.5196 13 D 4.6867 8.8042 122.2881 52.8070 40.4236 176.4293 14 F 4.9172 8.5605 120.9073 55.5574 41.3016 175.7511 15 S 4.2203 9.0143 119.8605 62.2073 62.5024 176.7184 16 T 3.8625 8.0251 118.5275 66.6226 68.1387 176.0938 17 M 4.1148 8.0975 119.6422 58.6070 32.3496 178.2758 18 R 3.9648 7.9957 117.8792 59.0923 30.2048 178.9397 19 R 3.8857 8.2682 118.5872 59.6786 30.1876 178.4948 20 I 3.6955 7.9173 119.5981 64.4992 37.0062 178.6960 21 V 3.6942 8.1753 119.1219 65.8121 31.3349 177.9179 22 R 3.8593 8.3176 118.8286 59.6998 29.9530 178.0325 23 N 4.2941 8.2511 116.0451 56.4825 38.4518 177.2493 24 L 4.0113 7.9943 120.1268 57.8023 41.6866 179.6600 25 L 3.8846 8.1569 119.1545 57.7142 41.6050 179.4050 26 K 4.0900 8.2138 121.0955 58.8727 31.8418 178.2010 27 E 3.9529 7.9189 118.6476 59.3064 29.6726 178.2489 28 L 4.2737 7.4057 115.4422 55.3163 41.8486 177.8584 29 G 3.6192 8.4231 108.3379 44.9138 0.0000 173.6750 30 F 4.6025 8.0975 119.6777 56.3980 38.5853 175.8961 31 N 4.7564 8.6139 123.3517 54.1015 39.7691 175.8811 32 N 4.8139 8.0131 117.9543 52.7078 37.7158 173.0605 33 V 5.2356 7.9480 121.0681 60.7470 35.3764 173.7164 34 E 4.9876 9.6174 125.0542 54.8615 34.0852 174.3706 35 E 5.3183 8.8025 120.0907 55.0904 32.8795 175.1572 36 A 4.9273 8.6162 121.7504 50.9654 23.1574 176.8577 37 E 5.0836 9.1664 117.4779 55.2297 30.5677 175.0298 38 D 4.5131 7.3795 118.8727 51.7972 42.5789 176.6713 39 G 3.6276 8.1960 106.8301 47.9859 0.0000 176.1075 40 V 3.5738 7.6976 119.9567 65.8355 31.8614 177.2674 41 D 4.2808 9.4866 118.7367 57.2930 40.8982 178.1633 42 A 3.8437 8.4904 121.3178 55.3131 18.3938 179.4997 43 L 3.8568 8.4455 117.9139 58.0696 41.6430 179.7398 44 N 4.3186 8.3131 116.3946 56.3585 38.3005 177.7019 45 K 4.1163 7.6782 118.2706 59.3274 32.3807 179.2158 46 L 4.2107 8.0900 119.5237 57.2924 41.2169 179.2083 47 Q 3.9262 8.0154 119.1906 59.2141 29.1963 178.0621 48 A 4.1349 7.8828 119.8747 52.3219 18.5361 178.1627 49 G 3.9764 7.6759 104.5889 45.3488 0.0000 172.5620 50 G 4.0202 8.9481 107.9069 46.1801 0.0000 174.8762 51 Y 4.1898 7.6891 116.7184 58.2761 38.2103 176.0077 52 G 4.1568 8.5697 109.8064 45.6297 0.0000 172.3790 53 F 4.4832 7.5795 120.5762 56.8991 42.9494 172.6641 54 V 4.9981 8.3087 125.2410 61.1554 34.9044 173.9971 55 I 4.9740 8.9772 128.2009 59.9928 40.2378 174.6111 56 S 4.6898 9.0627 121.6736 56.8977 65.6061 172.4047 *58 W 4.7110 8.8462 125.7107 57.8179 32.2375 176.0786 59 N 5.0125 8.3355 126.0659 53.9622 37.9170 174.1365 60 M 4.7710 8.1625 124.3403 53.0477 36.1569 173.5056 61 P 4.4608 0.0000 0.0000 63.5287 32.6057 175.5328 62 N 4.7368 9.6532 119.5572 53.7222 37.1894 174.8188 63 M 4.1123 7.1104 113.0252 53.4398 34.3228 173.7738 64 D 5.0818 8.2967 127.3258 52.8528 42.0027 177.1657 65 G 3.4524 9.0551 106.8137 47.5126 0.0000 175.8848 66 L 3.3422 7.0920 122.0302 57.8519 42.0499 178.6696 67 E 3.8808 8.4094 118.5961 59.1747 29.3050 178.9565 68 L 3.8200 7.7507 120.2406 58.0701 42.1778 178.4816 69 L 3.7917 8.1095 120.3321 58.4298 41.7639 179.0840 70 K 3.8723 8.0294 117.0388 59.8409 32.1051 179.2166 71 T 3.9970 8.0066 116.0936 66.6563 68.4912 176.8746 72 I 3.6794 7.8695 121.8749 64.4156 36.9169 178.4548 73 R 4.3115 8.2056 118.1183 57.1125 30.0881 177.5983 74 A 4.6190 7.3766 118.6579 50.7115 19.8663 175.7900 75 D 4.5913 7.4615 118.5998 52.3236 41.8762 177.0811 76 G 3.2399 8.8768 116.3045 48.4932 0.0000 173.9881 77 A 4.1871 8.1429 121.6590 54.6589 18.8233 178.0902 78 M 4.2047 8.6946 114.2983 57.4807 33.0157 180.5120 79 S 4.0956 8.7556 113.2485 62.8818 64.7135 174.7717 80 A 4.5138 7.5662 119.2284 51.0465 19.5220 176.3435 81 L 3.9279 8.7693 119.9511 54.6249 42.6617 175.3059 82 P 4.0422 0.0000 0.0000 62.9121 32.6422 175.3505 83 V 4.4318 8.8116 123.8579 61.0472 34.7094 173.6098 84 L 4.8512 9.1234 131.2286 53.6811 44.0664 174.9432 85 M 4.6064 8.5552 126.7093 54.6213 33.5468 175.5937 86 V 4.5081 8.7460 123.6268 61.3661 33.4635 174.1209 87 T 4.8718 8.6948 121.5597 60.3779 71.1758 174.0934 88 A 4.2489 8.7591 126.2258 52.9790 19.1530 177.4891 89 E 3.9085 8.2344 117.9126 56.1525 29.6787 176.0980 90 A 4.7046 8.3675 126.6683 51.3388 20.5347 175.4326 91 K 4.1146 8.9491 118.9941 56.2921 32.4838 178.1484 92 K 3.8484 8.8139 124.9352 60.3321 32.2119 178.2382 93 E 3.9338 8.1942 118.9925 59.5180 29.3578 179.0619 94 N 4.5977 8.7839 116.6500 56.0780 38.6066 177.5243 95 I 3.1883 7.5858 120.8172 64.3881 37.2433 178.1263 96 I 3.6212 8.2384 120.4327 64.3471 36.9617 178.2154 97 A 3.9793 8.1870 121.2432 55.2234 18.2570 179.4004 98 A 3.8130 8.4684 119.2336 55.2807 18.3980 179.7149 99 A 3.9387 7.9605 119.0590 55.5962 18.3033 179.9695 100 Q 3.9141 8.4563 115.2002 58.7385 28.8381 178.1830 101 A 4.2641 8.1120 120.0297 52.2947 18.6898 177.8783 102 G 3.9649 8.0719 105.5862 44.7192 0.0000 174.1920 103 A 3.9902 7.7446 122.3870 52.8662 18.7020 178.6081 104 S 4.3012 8.9239 118.2375 60.7339 63.8392 174.2399 105 G 4.0942 7.6002 105.0216 46.1272 0.0000 171.7214 106 Y 5.2441 8.5299 120.4373 55.9932 41.9558 174.1015 107 V 4.5428 8.7579 126.2505 61.2186 34.8571 174.4461 108 V 4.8849 8.5654 120.5116 60.1494 33.2383 175.6262 109 K 4.8218 8.7925 124.6419 54.8633 33.1159 175.3591 110 P 4.5780 0.0000 0.0000 62.4955 32.2656 175.4073 111 F 5.0231 7.7721 113.6656 54.6972 41.1841 174.7335 112 T 4.3819 8.2516 111.9086 60.1545 71.8962 175.5658 113 A 4.0145 8.4174 122.9645 55.3706 18.3168 179.6132 114 A 3.9648 8.0752 118.6022 55.8378 18.3604 179.6570 115 T 4.1082 7.9568 115.3127 66.1345 68.4912 176.4376 116 L 3.8730 8.0852 122.0540 58.2053 42.0986 178.6380 117 E 3.9537 8.2759 119.1774 59.2145 29.0930 178.6243 118 E 3.9470 8.4016 118.6189 59.3758 29.4711 179.1037 119 K 3.8730 8.2216 118.7656 59.6969 32.1064 179.1701 120 L 3.6186 8.0377 118.9992 57.8645 41.4426 179.4131 121 N 4.4385 8.1382 116.3291 56.2618 38.3591 177.3925 122 K 3.9469 8.8828 121.5606 59.1839 32.0237 178.9201 123 I 3.8617 7.2871 120.2567 64.0305 37.2723 178.0068 124 F 4.5651 8.0576 119.0098 61.0042 38.6751 176.7678 125 E 3.9855 8.7474 119.0131 59.6391 29.1943 178.7501 126 K 4.0069 8.0268 120.0118 58.3689 32.3491 177.3064 127 L 4.5143 7.4632 116.9177 53.6144 42.6171 176.6234 128 G 4.0455 8.0036 106.9471 47.2639 0.0000 173.8657 129 M 4.2857 8.4453 121.6164 55.4402 32.3485 176.6444 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 A 8.21 4.80 0.32 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 3 D 8.37 4.22 0.00 2.85 2.60 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 4 K 9.57 3.72 0.00 1.72 1.72 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.46 7.81 5 E 7.90 4.46 0.00 2.35 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 2.30 2.38 0.00 6 L 8.36 3.85 0.00 1.77 1.83 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.52 4.77 0.00 1.76 1.61 0.00 1.36 0.00 0.00 0.72 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.13 1.33 7.81 8 F 9.56 5.26 0.00 3.10 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 9 L 8.83 5.10 0.00 1.19 1.35 0.63 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.17 4.75 2.14 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 0.93 0.00 0.00 1.02 0.00 0.00 11 V 8.69 4.84 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 0.91 0.00 0.00 0.88 0.00 0.00 12 D 8.75 4.89 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 13 D 8.80 4.69 0.00 2.53 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 14 F 8.56 4.92 0.00 3.27 2.93 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 15 S 9.01 4.22 0.00 4.09 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 0.00 16 T 8.03 3.86 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 1.19 0.00 0.00 17 M 8.10 4.11 0.00 2.49 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.95 0.00 18 R 8.00 3.96 0.00 2.10 2.08 0.00 3.22 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 19 R 8.27 3.89 0.00 2.07 2.12 0.00 3.13 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 20 I 7.92 3.70 2.03 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.82 0.00 0.00 21 V 8.18 3.69 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 1.09 0.00 0.00 1.16 0.00 0.00 22 R 8.32 3.86 0.00 1.93 2.08 0.00 3.19 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 23 N 8.25 4.29 0.00 2.93 2.86 0.00 0.00 7.12 6.35 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 24 L 7.99 4.01 0.00 1.97 1.77 1.11 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.16 3.88 0.00 1.78 1.50 0.64 -0.19 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 26 K 8.21 4.09 0.00 1.81 1.81 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.53 7.81 27 E 7.92 3.95 0.00 2.28 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 2.50 0.00 28 L 7.41 4.27 0.00 1.94 1.82 1.04 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.42 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 30 F 8.10 4.60 0.00 2.96 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 31 N 8.61 4.76 0.00 2.73 2.89 0.00 0.00 7.13 8.00 0.00 0.00 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 N 8.01 4.81 0.00 2.95 3.10 0.00 0.00 6.61 7.71 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 33 V 7.95 5.24 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 0.98 0.00 0.00 1.03 0.00 0.00 34 E 9.62 4.99 0.00 2.18 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 2.42 2.71 0.00 35 E 8.80 5.32 0.00 1.85 1.86 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 2.25 2.33 0.00 36 A 8.62 4.93 1.16 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 0.00 0.00 37 E 9.17 5.08 0.00 2.12 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 0.00 2.36 2.15 0.00 38 D 7.38 4.51 0.00 3.00 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 39 G 8.20 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 40 V 7.70 3.57 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 1.01 0.00 0.00 0.91 0.00 0.00 41 D 9.49 4.28 0.00 2.76 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 42 A 8.49 3.84 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 43 L 8.45 3.86 0.00 1.80 1.71 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.31 4.32 0.00 2.92 2.86 0.00 0.00 6.98 6.80 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 45 K 7.68 4.12 0.00 1.68 1.71 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.58 7.81 46 L 8.09 4.21 0.00 1.79 1.70 0.83 0.43 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 47 Q 8.02 3.93 0.00 2.20 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 48 A 7.88 4.13 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 49 G 7.68 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 50 G 8.95 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.69 4.19 0.00 3.03 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 52 G 8.57 4.16 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 0.00 0.00 0.00 53 F 7.58 4.48 0.00 2.58 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 0.00 0.00 0.00 54 V 8.31 5.00 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 0.86 0.00 0.00 0.85 0.00 0.00 55 I 8.98 4.97 1.99 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 1.39 0.90 0.91 0.00 0.00 56 S 9.06 4.69 0.00 3.75 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 *58 W 8.85 4.71 0.00 3.59 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 59 N 8.34 5.01 0.00 2.69 2.82 0.00 0.00 6.74 7.65 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 60 M 8.16 4.77 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 61 P 0.00 4.46 0.00 2.15 2.04 0.00 3.76 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 1.93 1.91 0.00 62 N 9.65 4.74 0.00 2.90 3.05 0.00 0.00 6.69 7.66 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 63 M 7.11 4.11 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 64 D 8.30 5.08 0.00 3.49 3.04 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 65 G 9.06 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 66 L 7.09 3.34 0.00 0.67 1.47 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.41 3.88 0.00 2.17 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 2.32 2.46 0.00 68 L 7.75 3.82 0.00 1.68 1.75 0.89 0.30 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 69 L 8.11 3.79 0.00 1.60 1.75 0.81 0.47 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 K 8.03 3.87 0.00 1.79 1.82 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.54 7.81 71 T 8.01 4.00 4.35 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 1.17 0.00 0.00 72 I 7.87 3.68 1.93 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 1.45 1.04 0.83 0.00 0.00 73 R 8.21 4.31 0.00 1.87 1.94 0.00 3.21 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 74 A 7.38 4.62 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 75 D 7.46 4.59 0.00 2.88 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 3.24 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 77 A 8.14 4.19 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 78 M 8.69 4.20 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 79 S 8.76 4.10 0.00 3.95 4.32 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 80 A 7.57 4.51 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 81 L 8.77 3.93 0.00 1.72 1.58 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.04 0.00 0.93 1.31 0.00 3.44 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 83 V 8.81 4.43 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 0.78 0.00 0.00 0.84 0.00 0.00 84 L 9.12 4.85 0.00 1.92 1.67 0.94 0.99 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 85 M 8.56 4.61 0.00 1.59 1.48 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 86 V 8.75 4.51 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 0.36 0.00 0.00 0.66 0.00 0.00 87 T 8.69 4.87 4.33 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 1.19 0.00 0.00 88 A 8.76 4.25 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 89 E 8.23 3.91 0.00 1.59 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 1.47 2.12 0.00 90 A 8.37 4.70 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 91 K 8.95 4.11 0.00 1.79 1.73 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 92 K 8.81 3.85 0.00 1.94 2.07 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 93 E 8.19 3.93 0.00 1.99 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 0.00 2.39 2.35 0.00 94 N 8.78 4.60 0.00 2.77 2.85 0.00 0.00 7.07 7.86 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 95 I 7.59 3.19 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 -0.10 0.51 0.00 0.00 96 I 8.24 3.62 2.03 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 1.42 0.70 0.91 0.00 0.00 97 A 8.19 3.98 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.47 3.81 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.96 3.94 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 0.00 100 Q 8.46 3.91 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 101 A 8.11 4.26 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 0.00 102 G 8.07 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 0.00 103 A 7.74 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 0.00 104 S 8.92 4.30 0.00 3.62 3.81 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 0.00 105 G 7.60 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 0.00 0.00 0.00 106 Y 8.53 5.24 0.00 2.96 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 0.00 107 V 8.76 4.54 1.76 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 0.71 0.00 0.00 0.78 0.00 0.00 108 V 8.57 4.88 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 1.06 0.00 0.00 1.04 0.00 0.00 109 K 8.79 4.82 0.00 1.71 1.84 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.75 1.56 7.81 110 P 0.00 4.58 0.00 2.12 2.01 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 111 F 7.77 5.02 0.00 3.12 3.23 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 0.00 112 T 8.25 4.38 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 1.22 0.00 0.00 113 A 8.42 4.01 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 0.00 114 A 8.08 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 0.00 115 T 7.96 4.11 4.58 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 1.28 0.00 0.00 116 L 8.09 3.87 0.00 2.00 1.93 0.75 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.28 3.95 0.00 2.14 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 2.36 2.43 0.00 118 E 8.40 3.95 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 119 K 8.22 3.87 0.00 1.90 1.83 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.65 1.60 7.81 120 L 8.04 3.62 0.00 1.50 1.04 0.87 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.14 4.44 0.00 3.01 2.96 0.00 0.00 6.72 7.19 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 0.00 122 K 8.88 3.95 0.00 1.86 1.95 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 123 I 7.29 3.86 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.42 0.95 0.00 0.00 124 F 8.06 4.57 0.00 3.14 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 0.00 125 E 8.75 3.99 0.00 2.29 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 0.00 2.36 2.43 0.00 126 K 8.03 4.01 0.00 1.76 1.86 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 127 L 7.46 4.51 0.00 1.70 1.68 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.00 4.05 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 0.00 0.00 0.00 129 M 8.45 4.29 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.