NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4062 0.0000 0.0000 62.5507 33.6938 178.1721 4 L 3.8495 7.7171 119.0247 55.7560 41.7905 177.5234 5 T 3.8539 7.7488 110.1294 65.3055 69.3392 176.2891 6 V 3.6665 7.7749 123.1231 63.9983 31.1925 177.3554 7 Y 4.1265 8.2244 121.3636 61.2634 38.9238 178.4079 8 K 4.4073 8.2037 123.9615 60.3229 31.7505 180.6169 9 N 4.6431 8.1288 117.4419 56.0348 38.3800 177.5465 10 S 4.2696 8.1162 117.2905 60.9257 63.2112 176.3971 11 V 3.5193 7.9955 123.1968 65.3771 31.2199 178.1238 12 K 3.9952 8.1086 119.0311 59.5215 31.7679 178.9467 13 Q 4.0496 8.0511 118.4903 58.7294 28.6216 178.3314 14 Q 3.9585 8.6864 121.1871 59.1773 29.0990 178.2186 15 I 3.8164 7.9998 120.8647 64.0026 37.1980 177.8656 16 D 4.4108 7.9965 119.2223 56.6346 40.8073 178.8198 17 S 4.0993 8.2300 113.6377 61.1633 62.2951 175.6015 18 A 4.2106 7.9459 120.9741 53.7801 18.5399 178.0743 19 D 4.6396 7.3423 114.5949 55.5410 41.8869 178.5464 20 L 4.0603 7.8032 120.8487 58.3027 41.6571 178.0305 21 L 3.9980 7.9552 120.8254 57.1882 42.0169 178.7652 22 V 3.6208 7.7910 117.3177 66.5984 31.4827 177.8498 23 A 4.0435 7.7438 119.7573 54.7936 18.2188 178.8700 24 N 4.2041 8.5430 114.3218 56.5263 39.0810 177.0321 25 L 4.2144 9.0656 122.3176 58.3175 42.1521 179.0193 26 V 3.5502 7.8012 118.0629 65.9940 31.3675 177.3387 27 N 4.3901 8.4479 116.8077 56.9729 38.8622 176.5934 28 E 3.9843 8.4602 120.1081 59.4262 29.4418 178.9225 29 N 4.3013 8.4409 117.1968 56.6410 38.9289 176.8581 30 F 4.1176 8.4179 119.2645 60.7210 39.0138 177.6901 31 V 3.6402 8.1782 117.7871 66.0311 31.2956 177.9718 32 L 3.9739 8.4021 118.9387 57.9559 41.5532 179.3875 33 S 4.1208 8.4168 113.5059 61.2256 60.7289 175.8390 34 E 4.1034 8.4939 120.4642 59.6522 28.9965 179.2981 35 K 4.0960 8.3093 120.1372 58.8511 32.1267 178.9333 36 L 3.9510 8.0447 120.5226 58.2615 41.9091 178.5107 37 D 4.3282 7.7880 116.5196 57.5909 41.0729 178.1433 38 T 3.8326 7.4350 112.1254 65.1040 67.3169 176.2450 39 K 3.9433 7.8658 120.1099 59.3744 32.0703 179.1703 40 A 4.0123 8.1823 121.3242 55.3063 18.2397 179.7497 41 T 3.8149 8.1149 108.4523 64.9481 68.6996 176.3033 42 E 4.0617 8.4214 122.3761 58.9758 29.6540 178.6135 43 I 3.6463 7.9389 118.7539 63.8987 37.6705 177.7625 44 K 3.9310 8.2101 120.5251 59.6627 31.5838 178.7999 45 Q 3.8707 8.3199 118.4413 58.9667 28.7550 178.7853 46 L 3.8202 8.0930 120.1893 57.7537 41.6670 179.2938 47 Q 4.0454 8.1363 119.5781 58.9630 28.8827 178.3108 48 K 3.8497 7.5695 119.2301 59.6303 32.0983 178.7183 49 Q 3.9383 7.5391 119.1609 59.3683 28.8927 178.3465 50 I 3.6815 7.2647 119.5161 64.8592 37.2782 177.9679 51 D 4.4065 8.0002 119.1696 57.4045 40.6988 178.9687 52 S 4.0780 8.3313 113.6933 61.4543 62.3639 176.2107 53 L 4.0133 8.2797 122.0506 57.8278 41.3055 179.2049 54 N 4.2933 8.6716 116.6490 56.3904 38.4241 177.0052 55 A 3.9158 7.8945 121.5614 54.9867 18.4296 179.0169 56 Q 3.8675 8.0109 117.1893 59.4840 29.0919 179.4762 57 V 3.5588 8.0224 118.9698 66.0986 31.6565 177.8178 58 K 3.8680 7.9554 117.9804 59.8599 31.9784 179.1842 59 E 3.9950 8.4038 118.6471 59.2587 29.4689 179.1549 60 L 4.0137 8.2758 120.6466 57.9540 41.9221 179.1711 61 K 4.0843 8.0146 118.6506 59.2497 31.9589 179.5662 62 T 3.9012 7.8578 115.9719 66.7477 68.4493 176.8944 63 Q 3.9659 8.1116 120.2206 59.1164 28.6674 179.1407 64 T 3.8880 7.8401 110.5791 64.8345 68.7037 176.7420 65 S 4.0919 7.8613 117.4266 61.0798 63.0417 176.2244 66 Q 3.9135 8.8174 123.7761 58.8436 28.8113 178.0018 67 Q 3.9354 8.5735 120.8353 59.0897 29.0337 178.0506 68 A 3.9898 8.1945 121.9097 55.0442 18.4251 178.9711 69 E 3.8726 8.4331 118.0859 59.8376 29.6309 179.0076 70 N 4.4964 8.1533 116.1184 56.2039 38.4966 177.6898 71 S 4.1208 8.0284 116.7204 61.7159 62.9769 176.6190 72 E 3.9986 8.5664 121.6862 59.3359 29.3315 179.5601 73 V 3.6299 8.4075 118.6653 66.0558 31.7073 178.1684 74 I 3.6130 8.3509 119.9308 64.2772 36.9457 178.5879 75 K 4.1810 8.1329 119.3839 59.6730 31.6595 179.2124 76 D 4.4166 8.1406 118.2963 57.2463 40.9081 178.1491 77 L 4.2012 8.0234 120.8298 58.0604 42.0242 178.2341 78 Y 4.5573 7.7838 116.1359 61.6234 37.5140 178.7392 79 E 3.7361 8.4016 119.6831 59.6633 29.4128 178.3406 80 Y 4.3011 8.1159 115.5700 59.6567 38.1051 176.5485 81 L 4.7017 7.9668 118.9369 55.1244 43.4031 176.1071 82 C 4.8703 8.7518 114.5862 58.5057 29.8318 173.7995 83 N 4.2858 8.1944 115.5521 53.6277 36.5097 173.8304 84 V 4.9335 7.6005 114.9946 60.0320 34.4268 174.5363 85 R 4.5797 8.9798 123.2461 54.1683 33.4424 175.0180 86 V 4.2981 8.4056 124.0743 62.4995 31.2483 175.3931 87 H 4.4543 8.3828 125.6572 58.7157 28.9464 175.8598 88 K 4.6714 7.5593 115.6267 56.5709 36.5841 174.1544 89 S 5.0057 8.6150 112.5661 59.3452 65.3195 174.1106 90 Y 4.9838 8.1640 122.2061 55.0693 41.7059 174.5684 91 E 5.4331 8.4854 116.7784 53.9875 29.6150 174.1521 92 D 4.7054 8.7339 125.7704 55.1216 41.1635 178.2644 93 D 4.2146 8.2553 127.8030 55.1990 39.9926 177.5031 94 S 4.2253 9.1039 127.6283 61.4214 61.7299 173.3273 95 G 4.5574 9.1341 115.6348 45.5368 0.0000 171.4669 96 L 5.1271 8.3125 121.7666 53.0458 44.8277 175.3829 97 W 6.1903 8.6132 119.5206 54.2640 33.9968 174.4032 98 F 5.3567 8.8383 119.8726 54.9620 42.4623 174.2813 99 D 5.1914 9.0460 122.8944 54.7397 42.6303 175.1645 100 I 4.8739 8.4624 119.7493 60.0887 42.3553 174.5028 101 S 4.7217 8.8162 120.5508 56.9446 66.2739 172.9944 102 Q 4.9920 8.7199 124.2989 54.7856 32.8088 173.7332 103 G 3.7222 7.5935 108.1877 44.0725 0.0000 172.8116 104 T 4.5408 8.2382 111.5310 60.3356 70.8291 173.7739 *105 H 4.1499 8.7280 124.2706 54.4727 27.0402 170.6359 *115 I 4.0796 7.4319 122.4648 61.0016 38.7381 175.0074 116 M 4.7393 8.9600 124.8254 53.7936 34.7969 174.1121 117 D 5.0283 8.8030 126.9485 54.5376 42.8646 175.4875 118 Y 5.0524 7.8274 119.2482 56.5403 41.6115 173.1431 119 K 5.4923 9.1439 116.9422 55.0777 36.9139 175.6921 120 L 5.0582 9.0620 121.4458 53.0992 45.7695 175.9112 121 G 3.1192 8.1277 110.1720 43.9447 0.0000 172.2629 122 F 4.9711 8.5808 120.3639 55.6822 40.3937 175.4489 123 V 3.9809 8.2288 123.5834 63.8500 34.0448 175.8636 *129 V 4.0006 7.6584 117.5897 63.0998 32.2250 173.8187 130 T 4.5888 7.7491 112.4775 60.9979 71.3825 171.8835 131 E 4.5536 7.6794 119.6771 55.6202 33.8505 173.8865 132 V 4.1924 7.8797 122.4052 60.8937 35.9448 174.3382 133 I 4.5414 7.3615 122.7863 59.7842 41.3339 173.5581 134 Y 5.1228 8.3984 128.2642 55.7052 41.1160 174.0993 135 A 4.7106 8.0210 127.9862 49.2165 22.2202 173.4768 136 P 4.4440 0.0000 0.0000 62.4454 32.4886 176.5117 137 V 4.2904 8.5991 123.1517 60.9794 33.2580 174.6806 138 L 4.8845 8.1439 127.5168 54.8167 43.0776 178.4195 139 K 4.2972 8.1351 122.3991 58.8307 32.4587 176.3934 140 Q 4.5453 7.6835 114.8304 54.3047 30.9876 173.9887 141 R 4.5637 8.2911 120.3023 55.5804 33.1484 173.5701 142 S 4.7053 10.7700 118.1951 57.1429 64.0808 175.4723 143 T 3.9872 8.8077 117.2223 65.2539 68.0300 175.5587 144 E 4.0259 8.3434 119.5401 59.4913 29.1822 179.1412 145 E 3.9406 8.6363 119.5809 59.3185 29.2196 179.0887 146 L 3.4904 8.1464 118.3803 57.7686 41.4186 178.4351 147 Y 4.5236 7.9658 120.0650 58.6733 39.2637 177.1096 148 S 3.9982 8.0010 114.2596 61.5951 62.4174 176.3988 149 L 4.1499 8.8823 122.5819 57.9071 41.5681 179.4230 150 Q 4.1977 7.7847 117.0620 58.2110 28.2997 178.5316 151 S 4.1690 7.3204 114.8345 60.5076 63.4346 176.0137 152 K 4.1542 7.4236 119.4498 56.2978 32.4179 176.8340 153 L 4.6118 7.3000 118.7660 51.6344 43.8640 174.6230 154 P 4.1409 0.0000 0.0000 62.7056 31.3828 177.0786 155 E 4.0428 9.0361 122.5137 59.7466 29.5770 178.5946 156 Y 4.4725 7.6230 115.1818 58.6773 38.4488 176.5166 157 L 4.6000 7.9413 120.4476 55.2975 41.5266 176.9774 158 F 4.9539 8.0969 115.4356 57.0576 39.6076 174.9298 159 E 4.8956 8.0787 119.5329 54.3122 33.0986 175.6481 160 T 4.3829 8.5795 118.1509 64.7122 69.5711 173.0973 161 L 4.9966 9.0166 123.7717 53.9952 47.1633 175.3252 162 S 4.8412 8.5274 114.2996 58.2569 66.6940 174.3703 163 F 5.0499 7.0620 118.7253 54.1554 41.8265 172.4021 164 P 4.6100 0.0000 0.0000 62.2198 32.1838 176.9740 165 L 3.8597 8.6093 121.1015 58.7966 41.6341 179.3176 166 S 3.9887 8.0995 113.1697 61.6619 62.9725 176.0789 167 S 4.4184 8.0837 115.8503 59.1151 62.8686 175.4505 168 L 3.7018 8.3543 124.5038 58.2446 41.7417 177.9277 169 N 4.2537 8.1916 115.8265 57.1456 38.6007 176.6502 170 Q 3.9705 8.0196 117.4552 59.5168 29.1023 177.8599 171 F 3.8063 8.1685 120.8131 61.5846 39.2271 176.2868 172 Y 4.2588 8.7147 118.5103 61.1350 38.7234 178.6678 173 N 3.8480 8.1924 116.9063 56.0827 38.5017 177.3924 174 K 3.7442 7.8732 119.8748 59.7091 31.9249 179.4862 175 I 3.4805 7.2070 117.8427 63.9614 37.4285 177.9473 176 A 3.9768 7.4310 121.5944 55.0426 17.9596 179.8675 177 K 3.8805 7.8524 116.1212 59.5649 32.1524 179.3771 178 S 4.2503 7.5913 114.2704 60.0317 62.9142 174.8342 179 L 4.3785 7.3704 125.5976 54.6892 41.7910 175.9932 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 3 P 0.00 4.41 0.00 2.20 2.16 0.00 3.57 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 2.01 2.08 0.00 4 L 7.72 3.85 0.00 1.74 1.60 0.43 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.75 3.85 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 6 V 7.77 3.67 2.11 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 0.90 0.00 0.00 0.96 0.00 0.00 7 Y 8.22 4.13 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.20 4.41 0.00 1.80 1.82 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.37 7.81 9 N 8.13 4.64 0.00 2.94 2.91 0.00 0.00 6.79 8.50 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 10 S 8.12 4.27 0.00 3.99 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.00 3.52 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 1.02 0.00 0.00 0.69 0.00 0.00 12 K 8.11 4.00 0.00 2.10 1.90 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 13 Q 8.05 4.05 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 14 Q 8.69 3.96 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 15 I 8.00 3.82 1.89 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 1.52 0.97 0.94 0.00 0.00 16 D 8.00 4.41 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.23 4.10 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.95 4.21 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 19 D 7.34 4.64 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.80 4.06 0.00 1.80 1.81 0.92 0.34 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 21 L 7.96 4.00 0.00 1.74 1.56 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.79 3.62 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 1.00 0.00 0.00 0.93 0.00 0.00 23 A 7.74 4.04 1.45 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 24 N 8.54 4.20 0.00 2.92 2.84 0.00 0.00 6.99 6.27 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 25 L 9.07 4.21 0.00 1.86 1.65 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.80 3.55 2.39 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 1.13 0.00 0.00 0.94 0.00 0.00 27 N 8.45 4.39 0.00 2.83 3.04 0.00 0.00 7.26 8.28 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 28 E 8.46 3.98 0.00 2.05 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 2.34 2.53 0.00 29 N 8.44 4.30 0.00 2.78 3.02 0.00 0.00 7.23 7.98 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 30 F 8.42 4.12 0.00 3.37 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 31 V 8.18 3.64 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 1.25 0.00 0.00 1.09 0.00 0.00 32 L 8.40 3.97 0.00 1.94 1.71 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.42 4.12 0.00 3.85 4.08 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 34 E 8.49 4.10 0.00 2.26 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 0.00 2.42 2.48 0.00 35 K 8.31 4.10 0.00 2.08 1.91 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 36 L 8.04 3.95 0.00 1.73 1.81 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.79 4.33 0.00 2.82 2.66 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 0.00 0.00 0.00 0.00 38 T 7.44 3.83 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 39 K 7.87 3.94 0.00 1.97 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.61 7.81 40 A 8.18 4.01 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 41 T 8.11 3.81 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 1.24 0.00 0.00 42 E 8.42 4.06 0.00 2.29 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 0.00 2.31 2.32 0.00 43 I 7.94 3.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.18 0.98 0.00 0.00 44 K 8.21 3.93 0.00 2.02 1.95 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.53 7.81 45 Q 8.32 3.87 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 46 L 8.09 3.82 0.00 1.86 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.14 4.05 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 48 K 7.57 3.85 0.00 2.04 1.86 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 49 Q 7.54 3.94 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 50 I 7.26 3.68 2.12 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.40 0.91 0.00 0.00 51 D 8.00 4.41 0.00 2.86 2.72 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 52 S 8.33 4.08 0.00 3.88 3.99 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 53 L 8.28 4.01 0.00 1.84 1.70 0.92 0.59 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 54 N 8.67 4.29 0.00 2.90 2.87 0.00 0.00 6.90 7.50 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 55 A 7.89 3.92 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 56 Q 8.01 3.87 0.00 2.16 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 57 V 8.02 3.56 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 0.98 0.00 0.00 0.93 0.00 0.00 58 K 7.96 3.87 0.00 2.08 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 59 E 8.40 3.99 0.00 2.01 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 0.00 2.33 2.31 0.00 60 L 8.28 4.01 0.00 1.91 1.66 0.96 0.72 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 61 K 8.01 4.08 0.00 2.08 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.55 7.81 62 T 7.86 3.90 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 63 Q 8.11 3.97 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 64 T 7.84 3.89 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 1.29 0.00 0.00 65 S 7.86 4.09 0.00 4.02 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 66 Q 8.82 3.91 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 67 Q 8.57 3.94 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 68 A 8.19 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.43 3.87 0.00 2.20 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 0.00 2.32 2.37 0.00 70 N 8.15 4.50 0.00 2.90 2.85 0.00 0.00 7.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.03 4.12 0.00 4.03 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 72 E 8.57 4.00 0.00 2.00 2.01 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 2.34 2.65 0.00 73 V 8.41 3.63 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 74 I 8.35 3.61 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 1.41 1.23 0.83 0.00 0.00 75 K 8.13 4.18 0.00 2.04 1.92 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.80 7.81 76 D 8.14 4.42 0.00 2.76 3.01 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 77 L 8.02 4.20 0.00 1.75 1.68 0.90 0.43 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 78 Y 7.78 4.56 0.00 3.26 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 79 E 8.40 3.74 0.00 1.98 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 2.04 2.22 0.00 80 Y 8.12 4.30 0.00 3.12 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 81 L 7.97 4.70 0.00 1.68 1.88 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.75 4.87 0.00 3.15 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 83 N 8.19 4.29 0.00 3.02 3.01 0.00 0.00 6.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.60 4.93 2.23 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 0.77 0.00 0.00 0.94 0.00 0.00 85 R 8.98 4.58 0.00 1.66 1.75 0.00 3.11 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 86 V 8.41 4.30 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 0.85 0.00 0.00 1.02 0.00 0.00 87 H 8.38 4.45 0.00 3.16 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.56 4.67 0.00 1.77 1.72 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.52 7.81 89 S 8.62 5.01 0.00 3.04 3.14 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 0.00 0.00 0.00 0.00 90 Y 8.16 4.98 0.00 3.12 3.01 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 91 E 8.49 5.43 0.00 1.99 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 0.00 2.22 2.22 0.00 92 D 8.73 4.71 0.00 2.76 2.72 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 93 D 8.26 4.21 0.00 2.88 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 0.00 0.00 0.00 94 S 9.10 4.23 0.00 3.88 3.87 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 0.00 0.00 0.00 95 G 9.13 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 143 T 8.81 3.99 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 0.00 144 E 8.34 4.03 0.00 2.26 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 2.40 2.46 0.00 145 E 8.64 3.94 0.00 2.09 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 0.00 2.36 2.45 0.00 146 L 8.15 3.49 0.00 1.92 1.83 0.98 0.89 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 0.00 147 Y 7.97 4.52 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.00 4.00 0.00 4.13 4.03 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 0.00 149 L 8.88 4.15 0.00 1.85 1.91 1.00 0.90 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 0.00 150 Q 7.78 4.20 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 1.59 2.24 0.00 151 S 7.32 4.17 0.00 3.77 3.55 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 0.00 152 K 7.42 4.15 0.00 1.76 2.04 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.68 7.81 153 L 7.30 4.61 0.00 1.96 1.48 0.57 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.14 0.00 0.93 1.55 0.00 3.28 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 155 E 9.04 4.04 0.00 2.10 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 2.40 2.34 0.00 156 Y 7.62 4.47 0.00 3.16 3.27 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 0.00 157 L 7.94 4.60 0.00 1.32 1.39 0.49 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.10 4.95 0.00 3.13 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 0.00 159 E 8.08 4.90 0.00 2.03 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 2.33 2.40 0.00 160 T 8.58 4.38 4.30 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 1.25 0.00 0.00 161 L 9.02 5.00 0.00 1.86 1.71 1.48 1.02 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 0.00 162 S 8.53 4.84 0.00 3.59 3.55 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 0.00 163 F 7.06 5.05 0.00 2.93 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 0.00 164 P 0.00 4.61 0.00 2.22 2.19 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 165 L 8.61 3.86 0.00 1.71 1.69 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.10 3.99 0.00 3.85 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 0.00 167 S 8.08 4.42 0.00 3.83 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 0.00 168 L 8.35 3.70 0.00 1.80 1.66 1.02 0.71 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 0.00 169 N 8.19 4.25 0.00 2.83 2.85 0.00 0.00 6.99 7.08 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 0.00 170 Q 8.02 3.97 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 171 F 8.17 3.81 0.00 2.69 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 0.00 172 Y 8.71 4.26 0.00 3.17 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 N 8.19 3.85 0.00 2.83 2.73 0.00 0.00 7.10 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 K 7.87 3.74 0.00 1.60 1.69 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.75 7.81 175 I 7.21 3.48 1.67 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.38 0.73 0.00 0.00 176 A 7.43 3.98 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 0.00 177 K 7.85 3.88 0.00 1.74 1.80 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 178 S 7.59 4.25 0.00 3.67 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 0.00 179 L 7.37 4.38 0.00 1.64 1.53 0.94 0.56 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 * Residues marked with a * may have inaccurate shift predictions.