NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3082 0.0000 0.0000 63.9771 32.7121 175.9335 3 N 4.1295 8.9226 117.8736 53.5766 36.5159 171.7045 4 T 5.2461 8.3423 115.3594 61.9474 73.5300 173.2937 5 I 4.5214 8.6054 123.9470 59.6071 41.5994 174.6004 6 R 5.0647 8.9256 124.3506 54.4757 33.3771 174.7941 7 L 4.9864 9.3352 123.7148 53.1640 45.7187 175.1090 8 H 5.3578 8.8150 121.6513 54.6866 32.8466 172.4659 9 R 4.6844 8.9135 123.3641 54.6292 35.1190 173.9148 10 V 4.6570 8.3308 121.4954 61.3068 33.3069 174.6591 11 L 4.8873 9.0052 128.1825 52.3253 44.3361 177.4709 12 S 4.8567 9.1960 120.5462 56.6390 62.1930 173.9787 13 A 4.6788 7.1903 120.8719 48.9278 22.7436 175.4604 14 P 4.4119 0.0000 0.0000 61.8953 33.3033 176.0790 15 P 4.2857 0.0000 0.0000 65.9586 31.2691 178.6383 16 E 3.9533 8.1354 117.4639 59.2515 29.6358 178.7287 17 R 3.9329 7.9578 118.3249 59.3350 30.0316 178.5189 18 V 3.5570 7.5532 116.7194 66.0771 31.8951 176.7515 19 Y 4.4233 8.3759 119.6676 61.0959 38.5821 178.2433 20 R 3.8792 8.4186 119.0781 59.5509 29.9431 178.2998 21 A 4.1580 7.8161 119.2487 54.7623 18.4014 178.8753 22 F 4.6571 8.0990 114.5724 58.8160 39.3440 176.2052 23 L 4.5251 7.6231 115.9443 54.4064 44.1052 175.8847 24 D 4.5228 8.2170 119.5543 52.8455 41.4806 174.8793 25 P 4.1804 0.0000 0.0000 65.8361 30.7028 178.5283 26 L 4.0520 8.7118 117.9633 57.2431 41.4607 179.3715 27 A 4.0662 7.8998 120.3902 55.2200 18.6245 179.2340 28 L 3.2225 8.0822 117.4389 57.9872 41.5006 179.8491 29 A 3.9766 7.6790 118.7899 54.3415 18.2549 179.0748 30 K 4.1019 7.1941 118.1272 58.4913 32.7057 178.0713 31 W 4.6234 8.1081 116.2472 57.7089 28.5772 178.2700 32 L 2.9219 6.5999 121.2285 56.7569 41.5794 175.5463 33 P 3.0404 0.0000 0.0000 61.5176 31.6883 174.4164 34 P 4.4632 0.0000 0.0000 61.5808 32.2516 175.1335 35 E 4.1145 8.7329 119.3999 58.4374 29.6794 178.2412 36 G 3.8571 9.0852 110.6568 45.2798 0.0000 172.3411 37 F 5.3529 7.8452 117.1041 55.5549 42.2500 175.0235 38 V 4.5682 8.8174 114.0311 59.6960 35.4809 174.1050 39 C 5.4962 8.5664 121.8932 57.5392 34.3700 172.8879 40 K 4.5380 8.7308 126.4121 54.5874 34.2158 175.4975 41 V 3.9809 8.4341 127.7407 61.9143 31.9756 175.3519 42 L 4.2279 8.6492 128.3777 57.0955 42.1478 177.2400 43 E 4.7942 7.7325 116.7122 54.8681 33.8672 174.9744 44 H 5.4227 8.3352 117.4065 54.8932 28.6472 171.9166 45 D 4.6521 9.1264 124.4235 52.8134 41.1024 176.1694 46 A 4.1989 7.9202 132.7150 50.4688 16.8926 176.9777 47 R 4.6012 7.3346 118.4025 53.5321 32.9907 175.5414 48 V 3.7115 8.3767 119.0454 65.1752 31.5864 176.1658 49 G 4.0992 9.2230 116.5393 45.1551 0.0000 173.9444 50 G 4.0157 8.9754 107.4814 45.8294 0.0000 173.2398 51 A 5.4201 8.5640 124.3395 50.9534 21.9199 175.3174 52 Y 5.0584 8.3247 115.6867 56.0757 41.7578 173.7158 53 K 4.6608 8.9009 121.3394 54.4773 36.8119 174.3263 *55 E 4.3779 8.5641 119.9690 56.2349 31.3023 174.4456 56 F 5.8513 9.5784 121.2833 56.1183 42.0568 174.6699 57 L 5.4510 9.0322 121.6434 52.7548 45.5479 175.6758 58 A 3.6975 9.1410 126.7715 51.6086 18.5933 177.9073 59 F 4.0272 9.0868 126.7847 61.5412 39.5297 176.7164 60 A 4.0393 8.1459 120.8766 54.4931 18.4183 178.1306 61 S 4.3634 7.9749 108.0960 57.9720 64.2463 175.3909 62 G 3.8453 8.4976 109.4936 44.6531 0.0000 173.3657 63 Q 3.9394 7.6351 121.3822 57.0117 29.7027 175.7592 64 K 5.1641 8.6103 126.8537 55.4572 35.0054 175.2942 65 H 4.9367 9.3106 121.6714 54.7460 33.0609 172.1869 66 A 5.0984 8.9186 125.5862 50.1007 21.4293 174.9627 67 F 5.1018 7.4262 114.6712 55.7604 42.1885 173.1251 68 G 3.1022 8.0452 105.7993 45.8994 0.0000 172.3427 69 G 4.7132 6.2407 104.5766 45.9439 0.0000 172.3186 70 R 5.2207 8.5322 118.4482 54.5848 35.0440 174.4438 71 Y 4.8297 8.7438 119.4887 58.1763 38.6653 176.3442 72 L 4.6092 9.4763 124.1694 56.0593 43.7052 176.7588 73 E 4.8229 7.9300 114.0018 55.4159 32.7048 175.0702 74 L 4.6850 8.5659 121.8480 53.7272 45.1301 175.8573 75 V 4.1884 8.6740 125.5886 60.2319 33.7160 173.0004 76 P 2.9700 0.0000 0.0000 63.2394 31.1606 176.2468 77 G 3.8935 6.5378 110.1416 46.2435 0.0000 172.7349 78 E 4.7772 8.1815 118.4512 57.0583 32.4835 175.9191 79 R 5.1737 7.5633 112.9894 55.5400 32.8450 173.5109 80 I 5.2273 8.7167 120.7777 59.9635 41.8342 174.1865 81 R 5.1093 9.0045 126.5341 54.7971 33.5459 173.3988 82 Y 5.4510 8.1344 122.6567 55.9676 42.1053 174.0117 83 T 4.6673 9.1210 111.6405 61.5162 71.0693 173.4909 84 D 5.1098 8.5061 122.8947 53.1545 43.9401 174.3619 85 R 4.6749 8.9036 122.3028 54.4115 33.0954 174.7101 86 F 5.0189 8.7145 119.3033 57.1099 39.8845 175.7267 87 D 4.4662 8.8795 121.2522 56.6424 41.3204 177.1423 88 D 4.3242 8.2849 119.1540 54.2680 41.3152 176.7844 89 A 4.0753 8.7076 129.9287 54.7035 18.5972 178.0905 90 G 3.8002 8.5494 103.6395 46.7077 0.0000 173.7177 91 L 4.8280 7.5697 119.0050 52.8783 41.9664 175.0206 92 P 4.4048 0.0000 0.0000 62.8358 32.6659 174.8832 93 G 3.4292 8.4580 105.5580 44.1500 0.0000 173.5066 94 D 4.5102 8.4154 125.6332 53.1212 43.3576 174.0648 *96 I 4.1500 7.9737 119.3146 61.3620 38.7599 175.1130 97 T 5.0059 8.1733 117.2478 59.7792 71.9807 172.9986 98 T 4.8548 8.5852 114.5808 59.9536 71.7967 172.5228 99 I 4.7481 9.0337 127.9132 59.6146 39.5316 174.7165 100 T 4.9961 8.7538 116.8169 59.8253 71.4985 172.9110 101 L 5.4339 9.1972 124.7837 53.1390 45.2804 175.7598 102 A 4.7171 8.5269 122.0372 49.9057 22.9267 174.2598 103 P 4.8579 0.0000 0.0000 62.8387 32.1651 175.7125 104 L 4.7649 8.4475 120.6612 53.2997 46.0410 177.7411 105 S 4.1735 8.6204 116.2233 61.3942 63.0871 175.6185 106 C 4.4055 8.3584 114.1423 57.6761 31.6295 176.3314 107 G 4.5834 6.8913 113.8171 45.7791 0.0000 172.5055 108 A 5.0635 5.8000 119.5308 50.4229 24.3425 176.5037 109 D 5.0549 9.4072 120.2348 52.5152 43.5263 174.9728 110 L 5.2213 8.9604 127.6939 53.3699 45.2535 175.0615 111 S 5.2238 9.0173 121.6460 56.7952 66.6718 173.1007 112 I 4.9361 9.2045 124.9968 59.3260 41.0754 174.7711 113 V 4.6196 8.2468 124.9196 59.8673 34.5632 174.0365 114 Q 4.7781 9.1342 127.1343 54.3485 30.9734 173.9482 115 E 4.6922 9.2877 126.5448 55.2462 32.3065 176.4457 116 G 3.9364 8.6684 108.5062 46.8959 0.0000 173.8084 117 I 3.7937 7.5336 120.3239 60.3249 37.7300 174.5605 118 P 4.3926 0.0000 0.0000 62.9674 31.7306 177.2604 119 D 4.3588 8.6849 120.6890 57.0926 40.8876 177.4458 120 A 4.1257 7.9379 119.6924 52.8869 18.8410 176.8752 121 I 4.2660 7.3648 117.2450 58.3505 37.9988 173.9633 122 P 4.3413 0.0000 0.0000 62.0385 31.9020 176.0364 123 P 4.3305 0.0000 0.0000 65.6551 31.2017 178.5058 124 E 4.3208 8.3249 116.0781 59.6115 29.4955 178.8661 125 N 4.4603 8.3147 117.4545 56.3303 38.5501 177.1845 126 C 4.3009 7.9998 117.8325 62.8482 28.2183 175.5283 127 Y 4.2589 8.0573 118.3074 61.1548 37.3366 178.4950 128 L 4.2203 8.3575 120.0538 57.7689 41.7162 179.9554 129 G 3.5928 8.2918 105.4825 47.7980 0.0000 175.9069 130 W 4.2066 8.7849 122.5203 59.3728 29.0065 178.6337 131 Q 4.1819 8.8181 118.5666 59.1423 28.1296 179.0074 132 Q 4.0790 8.0262 119.0600 59.1048 28.7528 178.8086 133 S 4.5206 8.2542 117.5882 61.1874 62.8492 176.8014 134 L 4.1655 9.0466 122.1223 57.6221 41.3130 179.7787 135 K 4.0322 8.0710 118.2467 59.5959 32.1415 179.4586 136 Q 4.0594 8.2496 118.4207 58.7042 28.5524 178.4876 137 L 3.4664 8.4109 121.6424 57.8675 41.9503 178.8444 138 A 3.8717 7.8915 120.3963 55.2599 18.1281 179.4327 139 A 3.9147 7.7231 117.8659 54.9893 18.4099 179.2935 140 L 4.1133 7.4414 117.8316 57.9754 42.4659 178.9364 141 V 3.8469 7.8325 117.8179 64.1306 31.7489 177.8385 142 E 4.2751 8.1886 119.1215 57.4096 29.6908 175.8381 143 P 4.2463 0.0000 0.0000 63.3566 32.0968 175.6290 144 D 4.6435 8.6494 118.0850 54.9398 42.1385 173.3546 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 P 0.00 4.31 0.00 2.24 2.27 0.00 3.82 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 1.98 2.01 0.00 3 N 8.92 4.13 0.00 3.04 3.10 0.00 0.00 6.90 6.17 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 4 T 8.34 5.25 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 1.20 0.00 0.00 5 I 8.61 4.52 1.60 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.36 0.49 0.00 0.00 6 R 8.93 5.06 0.00 1.73 1.81 0.00 3.12 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 7 L 9.34 4.99 0.00 1.37 1.52 0.47 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.81 5.36 0.00 3.11 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.91 4.68 0.00 1.67 1.71 0.00 3.33 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 10 V 8.33 4.66 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 0.80 0.00 0.00 0.95 0.00 0.00 11 L 9.01 4.89 0.00 1.54 1.49 0.89 0.74 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 12 S 9.20 4.86 0.00 3.81 3.84 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 13 A 7.19 4.68 1.24 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 14 P 0.00 4.41 0.00 2.18 1.99 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 15 P 0.00 4.29 0.00 2.14 2.18 0.00 3.60 0.00 0.00 3.86 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 16 E 8.14 3.95 0.00 2.07 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 2.40 2.48 0.00 17 R 7.96 3.93 0.00 1.94 2.06 0.00 3.34 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 18 V 7.55 3.56 2.30 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 1.01 0.00 0.00 0.98 0.00 0.00 19 Y 8.38 4.42 0.00 3.20 3.25 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 20 R 8.42 3.88 0.00 2.26 2.12 0.00 3.20 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 21 A 7.82 4.16 1.24 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 22 F 8.10 4.66 0.00 3.24 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 23 L 7.62 4.53 0.00 1.41 1.48 0.28 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.22 4.52 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 25 P 0.00 4.18 0.00 2.04 1.90 0.00 3.58 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 1.69 1.98 0.00 26 L 8.71 4.05 0.00 1.74 1.71 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.90 4.07 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 28 L 8.08 3.22 0.00 1.60 1.54 0.86 0.49 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 29 A 7.68 3.98 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 30 K 7.19 4.10 0.00 1.94 2.04 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 31 W 8.11 4.62 0.00 3.54 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 32 L 6.60 2.92 0.00 0.51 1.41 0.02 0.76 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 33 P 0.00 3.04 0.00 1.90 1.19 0.00 3.46 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 34 P 0.00 4.46 0.00 2.19 2.10 0.00 2.92 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 35 E 8.73 4.11 0.00 2.12 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 0.00 2.37 2.41 0.00 36 G 9.09 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 0.00 0.00 0.00 37 F 7.85 5.35 0.00 2.94 2.67 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 38 V 8.82 4.57 2.12 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 0.75 0.00 0.00 1.15 0.00 0.00 39 C 8.57 5.50 0.00 2.85 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 40 K 8.73 4.54 0.00 1.81 1.66 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.35 7.81 41 V 8.43 3.98 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 0.90 0.00 0.00 0.90 0.00 0.00 42 L 8.65 4.23 0.00 1.70 1.63 0.85 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 43 E 7.73 4.79 0.00 1.88 1.75 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 2.24 2.22 0.00 44 H 8.34 5.42 0.00 3.14 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.13 4.65 0.00 2.86 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 46 A 7.92 4.20 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 0.00 0.00 0.00 0.00 0.00 47 R 7.33 4.60 0.00 1.97 1.99 0.00 3.03 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 48 V 8.38 3.71 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 0.89 0.00 0.00 0.98 0.00 0.00 49 G 9.22 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 50 G 8.98 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 A 8.56 5.42 1.22 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 0.00 0.00 52 Y 8.32 5.06 0.00 3.10 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 53 K 8.90 4.66 0.00 1.54 1.44 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.10 1.08 7.81 *55 E 8.56 4.38 0.00 2.14 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 2.37 2.41 0.00 56 F 9.58 5.85 0.00 3.07 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 57 L 9.03 5.45 0.00 1.73 1.61 1.14 0.57 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 58 A 9.14 3.70 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 59 F 9.09 4.03 0.00 2.91 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 60 A 8.15 4.04 1.24 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 61 S 7.97 4.36 0.00 3.94 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 62 G 8.50 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 63 Q 7.64 3.94 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 64 K 8.61 5.16 0.00 1.82 1.67 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.51 7.81 65 H 9.31 4.94 0.00 3.28 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.92 5.10 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 67 F 7.43 5.10 0.00 2.81 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 68 G 8.05 3.10 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 69 G 6.24 4.71 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 70 R 8.53 5.22 0.00 1.73 1.90 0.00 3.12 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 71 Y 8.74 4.83 0.00 3.17 2.90 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 0.00 0.00 0.00 72 L 9.48 4.61 0.00 1.64 1.76 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.93 4.82 0.00 2.03 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 2.29 2.35 0.00 74 L 8.57 4.68 0.00 1.54 1.73 0.69 0.64 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 75 V 8.67 4.19 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 1.02 0.00 0.00 0.92 0.00 0.00 76 P 0.00 2.97 0.00 1.85 1.78 0.00 3.73 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 1.95 2.05 0.00 77 G 6.54 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 78 E 8.18 4.78 0.00 1.88 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 2.13 2.29 0.00 79 R 7.56 5.17 0.00 1.95 1.95 0.00 2.98 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 80 I 8.72 5.23 1.83 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.08 1.13 0.00 0.00 81 R 9.00 5.11 0.00 1.83 1.73 0.00 3.26 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 82 Y 8.13 5.45 0.00 3.06 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 83 T 9.12 4.67 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 1.25 0.00 0.00 84 D 8.51 5.11 0.00 3.03 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 85 R 8.90 4.67 0.00 1.86 1.93 0.00 2.79 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 86 F 8.71 5.02 0.00 2.98 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 87 D 8.88 4.47 0.00 2.72 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 88 D 8.28 4.32 0.00 2.74 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 89 A 8.71 4.08 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 90 G 8.55 3.80 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 0.00 0.00 0.00 91 L 7.57 4.83 0.00 1.58 1.50 0.11 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.40 0.00 2.20 2.07 0.00 3.84 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 2.00 1.97 0.00 93 G 8.46 3.43 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 0.00 94 D 8.42 4.51 0.00 2.69 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 *96 I 7.97 4.15 1.82 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 1.38 0.42 0.84 0.00 0.00 97 T 8.17 5.01 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 1.14 0.00 0.00 98 T 8.59 4.85 4.15 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 1.11 0.00 0.00 99 I 9.03 4.75 1.54 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.20 0.37 0.00 0.00 100 T 8.75 5.00 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 1.16 0.00 0.00 101 L 9.20 5.43 0.00 1.59 1.58 1.11 0.92 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 0.00 102 A 8.53 4.72 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 0.00 103 P 0.00 4.86 0.00 1.94 1.98 0.00 3.64 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 2.00 2.10 0.00 104 L 8.45 4.76 0.00 1.68 1.50 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.62 4.17 0.00 3.86 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 0.00 106 C 8.36 4.41 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 0.00 107 G 6.89 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 0.00 0.00 0.00 0.00 108 A 5.80 5.06 1.24 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 0.00 109 D 9.41 5.05 0.00 2.70 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 0.00 110 L 8.96 5.22 0.00 1.73 1.60 0.91 0.77 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 0.00 111 S 9.02 5.22 0.00 3.74 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 0.00 112 I 9.20 4.94 1.52 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 1.11 0.89 0.30 0.00 0.00 113 V 8.25 4.62 1.99 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 0.63 0.00 0.00 0.93 0.00 0.00 114 Q 9.13 4.78 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 115 E 9.29 4.69 0.00 1.87 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 2.21 2.17 0.00 116 G 8.67 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 0.00 117 I 7.53 3.79 1.89 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 1.33 0.65 1.02 0.00 0.00 118 P 0.00 4.39 0.00 2.21 2.17 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 119 D 8.68 4.36 0.00 2.67 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 0.00 120 A 7.94 4.13 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 0.00 121 I 7.36 4.27 1.98 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.93 0.91 0.00 0.00 122 P 0.00 4.34 0.00 2.21 2.02 0.00 3.62 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 123 P 0.00 4.33 0.00 2.25 2.14 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 124 E 8.32 4.32 0.00 2.29 2.32 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 2.43 2.47 0.00 125 N 8.31 4.46 0.00 3.07 2.94 0.00 0.00 6.96 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.00 4.30 0.00 3.09 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 0.00 127 Y 8.06 4.26 0.00 3.32 3.02 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 0.00 128 L 8.36 4.22 0.00 1.97 1.81 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.29 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 0.00 130 W 8.78 4.21 0.00 3.56 3.37 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 0.00 131 Q 8.82 4.18 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.76 0.00 132 Q 8.03 4.08 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 133 S 8.25 4.52 0.00 4.11 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 0.00 134 L 9.05 4.17 0.00 2.10 1.84 1.36 1.14 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 0.00 135 K 8.07 4.03 0.00 2.01 1.89 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.85 7.81 136 Q 8.25 4.06 0.00 2.58 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 137 L 8.41 3.47 0.00 0.63 1.47 -0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.89 3.87 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 0.00 139 A 7.72 3.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 4.11 0.00 1.69 1.78 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.83 3.85 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 0.74 0.00 0.00 0.90 0.00 0.00 142 E 8.19 4.28 0.00 2.07 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 2.39 2.35 0.00 143 P 0.00 4.25 0.00 2.17 2.05 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 144 D 8.65 4.64 0.00 2.73 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 * Residues marked with a * may have inaccurate shift predictions.