NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.3127 8.3027 120.2221 56.4224 31.7420 177.4106 16 R 3.7044 8.1099 117.8858 58.1157 29.9807 173.2248 17 E 4.4421 8.2627 115.5842 55.9666 31.2530 175.5295 18 G 3.9518 7.8769 105.6024 45.0148 0.0000 174.8078 19 I 3.7386 8.1574 120.2088 64.1925 36.9152 178.2179 20 L 3.9578 8.0512 120.7708 58.3544 41.6928 178.8236 21 F 4.5586 8.1976 119.6434 61.8086 39.5526 176.6814 22 T 3.6979 7.8200 115.0463 67.4191 68.1926 176.5717 23 T 4.0815 8.4649 117.5086 66.6115 68.4253 176.5428 24 L 4.0046 7.6005 120.0811 57.7573 41.7680 179.2898 25 E 4.2007 8.3671 117.6125 58.9393 29.1853 178.9151 26 K 4.1195 8.5284 119.8021 58.4902 31.9548 178.9646 27 L 4.1090 7.3230 118.9281 57.1217 42.0893 178.8603 28 V 3.7501 8.3208 118.3213 66.0121 31.5161 177.6512 29 A 4.0004 8.0949 120.2421 55.2935 18.0815 179.2026 30 W 4.2601 7.8535 125.0993 61.3911 30.7327 177.4319 31 G 3.8278 8.4258 106.5297 47.3726 0.0000 174.7850 32 R 4.4641 7.6585 117.0495 55.9938 29.7335 178.0836 33 S 3.7350 7.8591 114.0993 60.4025 62.6962 173.7915 34 N 4.8521 8.2921 117.3783 53.6924 40.7924 175.3966 35 S 4.4775 7.4697 111.5115 58.3269 63.1454 173.6905 36 L 4.5799 7.6168 121.3818 55.1396 42.0869 177.3848 37 W 5.2021 9.3661 135.0000 54.1175 30.7468 169.8853 38 P 4.4101 0.0000 0.0000 62.8711 31.7847 175.7526 39 A 4.4612 8.7010 128.7429 49.4019 18.4982 174.9613 40 T 3.9723 8.0394 114.7013 62.1219 68.4969 173.4586 41 F 5.0129 8.7907 127.6902 56.8783 38.7916 173.9317 42 G 3.4692 7.8794 107.6134 47.2648 0.0000 170.6963 43 L 4.5059 9.1497 118.5046 53.2965 44.4137 179.1662 44 A 4.6980 8.3191 125.7535 52.5137 18.3938 180.5594 45 C 4.2042 8.9798 119.9145 65.3344 27.9733 174.6406 46 C 4.1491 8.1803 117.6537 62.6773 26.8490 175.7741 47 A 4.0173 7.8174 121.8722 54.6498 17.6763 178.9342 48 I 3.9386 7.5304 116.3750 62.3371 38.0388 176.7379 49 E 4.3321 7.8285 119.1339 57.2772 30.0138 176.9422 50 M 4.2911 7.7734 118.6701 57.4673 30.9596 176.8821 51 M 4.3308 7.6100 117.7722 56.3300 31.9826 176.8934 52 A 4.0394 7.3433 119.5907 52.0719 19.9131 177.6924 53 S 4.5601 7.7605 113.1938 59.8670 64.5451 176.2109 54 T 4.0066 7.8273 116.5964 65.0325 68.7070 174.9904 55 D 4.5333 7.3723 119.1907 55.8833 41.6093 177.5299 56 A 4.2094 7.4867 121.4463 54.5357 20.0771 178.4660 57 R 3.9827 8.2584 109.0915 56.8789 28.1754 178.3770 *74 Q 4.1342 9.1055 109.2647 55.2985 30.5521 174.2705 75 A 5.0481 8.5662 124.4748 50.4111 22.2629 175.0320 76 D 4.7489 8.2078 120.2463 52.0129 42.0479 175.1071 77 V 4.3344 8.5104 117.0290 62.9708 28.9101 169.5237 78 M 5.1020 7.8625 119.9051 53.2759 33.8014 175.5661 79 I 4.6407 8.2989 122.8877 59.6549 39.5613 174.9585 80 V 4.3377 8.7073 128.9596 62.5043 32.5318 174.6423 81 A 4.6939 9.4675 129.8708 49.8318 19.7798 175.2739 82 G 4.2485 8.4980 107.3173 42.8066 0.0000 170.6281 83 R 3.9088 8.0293 117.6269 56.2825 30.1131 176.5373 84 L 4.3548 8.5438 127.3294 53.4347 42.5586 175.7039 85 S 4.6197 8.4192 121.3861 58.0712 63.2995 175.1422 86 K 4.0087 8.1259 122.5844 59.0656 31.7522 179.5394 87 K 4.0771 7.8511 119.1192 59.6410 32.5800 178.1568 88 M 4.2077 8.0185 117.1456 57.7622 32.2324 177.3523 89 A 3.9923 7.6179 121.7733 54.9430 18.7735 177.5070 90 P 4.3357 0.0000 0.0000 64.7610 31.1838 178.4652 91 V 3.7498 7.4842 118.4495 66.1822 31.9652 177.2216 92 M 3.5767 8.0395 117.8554 58.2505 31.9078 177.8631 93 R 3.8410 8.0112 119.0176 59.7171 30.2504 178.5439 94 R 4.2832 7.5121 117.8296 58.8262 29.8708 179.2125 95 V 3.5717 7.3294 116.6378 65.5330 31.4325 177.7664 96 W 4.1387 7.7650 127.1819 60.3990 30.8035 177.3263 97 E 3.8753 8.4126 118.5411 59.1638 30.1334 177.9787 98 Q 4.4259 7.6510 117.7148 54.7684 27.0670 174.4203 99 M 4.6645 6.9955 118.1203 52.4830 36.1455 171.9743 100 P 4.3234 0.0000 0.0000 62.9769 31.7245 175.3488 101 D 4.1899 8.2767 116.1404 55.7769 41.4993 174.7392 102 P 4.0656 0.0000 0.0000 61.7341 29.7822 175.0923 103 K 4.4354 6.8081 120.5800 54.7811 36.0998 175.3925 104 W 5.4541 8.6552 118.9470 55.3090 34.4124 174.3613 105 V 4.9851 8.7837 120.4536 60.3315 33.8424 174.5322 106 I 4.7683 8.4441 129.2729 60.4224 39.2122 174.9187 107 S 5.1237 8.7727 120.4396 56.7991 65.3894 172.5074 108 M 4.3461 9.6554 126.5987 54.8801 32.8467 176.9389 109 G 3.9065 9.2616 116.7050 44.7902 0.0000 173.2949 110 A 3.9957 8.2657 119.2211 55.7744 17.9407 179.7037 111 C 4.1249 8.1834 112.7630 63.2743 28.6049 175.8117 112 A 4.1913 8.0178 122.0037 55.3568 17.6888 179.0382 113 S 4.3556 8.7820 112.4671 62.4413 63.2203 177.0953 114 S 5.2608 8.6100 120.0241 57.0359 65.3073 174.6992 115 G 4.3167 8.1325 108.6782 45.6594 0.0000 174.6133 116 G 3.9585 7.7367 108.6495 47.1097 0.0000 174.9186 117 M 4.2404 8.3596 120.9216 54.8026 31.7279 176.7054 118 F 4.6239 7.3462 118.3497 56.3035 38.9057 175.2421 119 N 4.9852 8.2491 128.7019 51.7263 37.3155 172.4353 120 N 5.1656 7.4312 117.4824 51.5736 40.9582 175.0811 121 Y 3.8931 9.2832 114.7402 60.0905 37.9408 176.7510 122 A 3.7196 7.7515 122.6590 53.0425 18.9775 176.8333 123 I 4.6775 6.9425 115.0569 59.1083 40.9327 175.2653 124 V 3.8814 7.9972 122.9298 62.8724 31.9938 176.3106 125 Q 4.3499 8.5567 124.2494 56.3246 29.4337 174.8692 126 N 5.0477 7.4546 113.8129 53.3228 41.9042 175.2776 127 V 3.6403 8.3244 125.1482 65.5302 31.7881 177.1243 128 D 5.1976 8.1764 117.6908 55.9782 41.0982 177.2632 129 S 4.3152 8.1861 114.6767 60.9302 63.1310 175.2955 130 V 4.1929 7.5628 111.3661 61.7244 33.9739 176.2861 131 V 3.6255 7.6433 111.5679 58.1458 35.0160 173.1362 132 P 4.6079 0.0000 0.0000 62.4455 31.6334 175.9955 133 V 4.2288 8.8277 124.1482 61.6663 32.6142 174.9686 134 D 4.7649 8.9237 127.0239 55.5617 42.3291 177.2822 135 V 4.4715 7.3863 116.7225 61.2494 35.1749 173.8090 136 Y 5.1582 9.0080 124.2393 55.5426 40.4219 175.8283 137 V 4.5216 8.7136 122.3939 59.0203 33.6822 173.3763 138 P 4.6152 0.0000 0.0000 63.2115 32.3807 174.9105 139 G 4.0812 8.3095 105.8536 44.2711 0.0000 173.0734 140 C 4.5044 7.8020 115.7643 58.2930 32.4531 171.1150 141 P 4.6175 0.0000 0.0000 60.3610 32.3425 175.0935 142 P 4.2459 0.0000 0.0000 62.8419 31.7680 176.1396 143 R 3.9971 8.5992 121.0163 56.3131 30.8803 175.2946 144 P 4.2528 0.0000 0.0000 65.8962 31.3011 178.8942 145 E 4.0594 8.3015 116.1845 58.8766 29.2999 178.7361 146 A 4.2162 7.8549 120.6544 54.1879 18.9310 179.2379 147 L 4.0042 7.9576 119.2590 58.4799 42.0882 178.5221 148 I 3.6506 7.8945 119.4786 64.5904 37.1606 177.1117 149 Y 4.0845 8.2200 120.1210 60.9855 38.5741 178.8682 150 A 3.9773 8.0162 121.6100 55.2677 18.2015 180.0573 151 V 3.5856 7.6536 110.3009 64.3698 31.4979 178.6261 152 M 4.0838 7.7979 118.8307 58.2476 31.4678 178.5498 153 Q 3.6334 7.2270 118.3536 58.9069 29.7087 177.3703 154 L 3.8809 7.4640 121.3538 58.7790 41.9332 178.0729 155 Q 3.5915 8.8410 119.2262 59.9571 28.4578 178.7806 156 K 4.1956 8.3568 114.6749 56.8544 31.8442 178.4495 157 K 4.3394 7.9847 122.8866 57.2740 34.2334 178.7239 158 V 3.8924 7.2338 110.8090 63.8089 31.4537 177.6746 159 R 3.9380 7.7552 117.6762 57.0875 29.9801 176.9129 160 G 3.8640 8.2069 106.0651 46.8016 0.0000 173.6971 161 Q 4.4104 7.3787 118.3184 54.8529 29.7743 174.8567 162 A 4.2628 7.2702 117.4992 49.9298 22.0696 175.6284 163 Y 5.5132 8.2093 117.8780 54.9655 42.1550 174.5131 164 N 4.9009 8.3745 118.5517 51.4207 39.6167 175.7043 165 E 4.0303 8.7631 116.9155 59.7402 29.5218 179.1517 166 R 3.9324 8.0719 116.9393 57.9453 30.1687 177.6647 167 G 3.9907 8.3552 105.6833 45.4227 0.0000 172.8512 168 E 4.5470 8.1706 118.2914 54.1919 31.1674 175.5000 169 R 4.7732 8.5643 123.0242 56.7235 30.9872 175.3446 170 L 4.9133 8.2001 126.0203 51.9917 43.5541 174.7211 171 P 4.3138 0.0000 0.0000 62.7437 31.0003 174.9220 172 P 4.5767 0.0000 0.0000 64.5752 31.7136 176.7151 173 V 4.3956 7.6475 115.9125 60.8250 33.3780 175.6349 174 A 4.3130 7.9170 129.3083 50.8806 17.0367 177.5983 175 A 4.1523 8.1668 122.8532 53.5127 19.1826 176.6885 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 15 E 8.30 4.31 0.00 1.94 1.91 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 2.26 2.27 0.00 16 R 8.11 3.70 0.00 1.83 2.05 0.00 3.51 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.81 0.00 17 E 8.26 4.44 0.00 2.00 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 2.27 2.40 0.00 18 G 7.88 3.95 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 0.00 0.00 0.00 19 I 8.16 3.74 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 1.54 0.56 0.92 0.00 0.00 20 L 8.05 3.96 0.00 1.79 1.75 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.20 4.56 0.00 3.14 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 22 T 7.82 3.70 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 23 T 8.46 4.08 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 24 L 7.60 4.00 0.00 2.13 1.69 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.37 4.20 0.00 1.96 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 2.13 2.17 0.00 26 K 8.53 4.12 0.00 1.80 1.90 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.60 7.81 27 L 7.32 4.11 0.00 1.81 1.71 0.85 1.00 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 28 V 8.32 3.75 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 1.05 0.00 0.00 0.97 0.00 0.00 29 A 8.09 4.00 1.50 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 0.00 0.00 30 W 7.85 4.26 0.00 3.51 3.32 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 31 G 8.43 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.66 4.46 0.00 2.20 2.28 0.00 3.34 0.00 0.00 3.32 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.72 0.00 33 S 7.86 3.73 0.00 3.77 3.76 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 0.00 0.00 0.00 0.00 34 N 8.29 4.85 0.00 2.84 2.71 0.00 0.00 6.61 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.47 4.48 0.00 3.98 4.06 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 0.00 0.00 0.00 36 L 7.62 4.58 0.00 1.69 1.68 0.72 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 W 9.37 5.20 0.00 3.32 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.41 0.00 1.75 1.96 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 39 A 8.70 4.46 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 40 T 8.04 3.97 4.21 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 1.16 0.00 0.00 41 F 8.79 5.01 0.00 3.07 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 42 G 7.88 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.15 4.51 0.00 1.23 1.32 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.32 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.98 4.20 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.18 4.15 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.82 4.02 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 48 I 7.53 3.94 1.97 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 1.38 0.59 0.90 0.00 0.00 49 E 7.83 4.33 0.00 2.09 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 2.44 2.34 0.00 50 M 7.77 4.29 0.00 2.10 2.02 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 2.64 2.46 0.00 51 M 7.61 4.33 0.00 2.28 2.06 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 2.78 2.52 0.00 52 A 7.34 4.04 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 53 S 7.76 4.56 0.00 4.05 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 54 T 7.83 4.01 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 1.13 0.00 0.00 55 D 7.37 4.53 0.00 2.73 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 56 A 7.49 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 57 R 8.26 3.98 0.00 1.92 1.66 0.00 3.16 0.00 0.00 3.25 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 *74 Q 9.11 4.13 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 75 A 8.57 5.05 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.21 4.75 0.00 3.11 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 77 V 8.51 4.33 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 1.12 0.00 0.00 1.28 0.00 0.00 78 M 7.86 5.10 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 79 I 8.30 4.64 1.90 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 1.25 0.88 0.93 0.00 0.00 80 V 8.71 4.34 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 1.06 0.00 0.00 1.02 0.00 0.00 81 A 9.47 4.69 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 82 G 8.50 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.03 3.91 0.00 1.69 1.86 0.00 2.67 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 84 L 8.54 4.35 0.00 1.75 1.64 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.42 4.62 0.00 3.86 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 86 K 8.13 4.01 0.00 1.73 1.83 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.40 7.81 87 K 7.85 4.08 0.00 1.72 1.80 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 88 M 8.02 4.21 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.65 0.00 89 A 7.62 3.99 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 90 P 0.00 4.34 0.00 2.28 2.32 0.00 3.73 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 2.15 2.03 0.00 91 V 7.48 3.75 2.37 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 1.16 0.00 0.00 0.97 0.00 0.00 92 M 8.04 3.58 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.31 0.00 93 R 8.01 3.84 0.00 2.03 2.04 0.00 3.31 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 94 R 7.51 4.28 0.00 2.16 1.97 0.00 3.21 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 95 V 7.33 3.57 1.95 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 0.68 0.00 0.00 0.90 0.00 0.00 96 W 7.76 4.14 0.00 3.21 3.36 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 97 E 8.41 3.88 0.00 2.25 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 2.52 2.82 0.00 98 Q 7.65 4.43 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 99 M 7.00 4.66 0.00 1.52 1.77 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 100 P 0.00 4.32 0.00 2.11 2.04 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 101 D 8.28 4.19 0.00 2.52 2.59 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 0.00 102 P 0.00 4.07 0.00 2.00 1.93 0.00 3.55 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 1.99 1.99 0.00 103 K 6.81 4.44 0.00 1.48 1.39 0.00 0.66 0.00 0.00 1.34 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.19 7.81 104 W 8.66 5.45 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 0.00 105 V 8.78 4.99 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 1.32 0.00 0.00 1.19 0.00 0.00 106 I 8.44 4.77 1.89 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 1.38 0.74 0.96 0.00 0.00 107 S 8.77 5.12 0.00 3.91 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 0.00 108 M 9.66 4.35 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 109 G 9.26 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 0.00 0.00 0.00 110 A 8.27 4.00 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 0.00 111 C 8.18 4.12 0.00 3.02 3.08 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 0.00 112 A 8.02 4.19 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 0.00 113 S 8.78 4.36 0.00 3.98 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 0.00 114 S 8.61 5.26 0.00 3.93 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 0.00 115 G 8.13 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 0.00 0.00 0.00 116 G 7.74 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 0.00 117 M 8.36 4.24 0.00 1.77 1.85 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.81 0.00 118 F 7.35 4.62 0.00 3.10 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 0.00 119 N 8.25 4.99 0.00 2.68 2.77 0.00 0.00 7.01 7.79 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 0.00 120 N 7.43 5.17 0.00 3.30 3.06 0.00 0.00 5.86 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 0.00 121 Y 9.28 3.89 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 0.00 122 A 7.75 3.72 0.74 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 0.00 123 I 6.94 4.68 1.90 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.61 0.97 0.00 0.00 124 V 8.00 3.88 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 125 Q 8.56 4.35 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 126 N 7.45 5.05 0.00 2.69 2.63 0.00 0.00 7.32 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 0.00 127 V 8.32 3.64 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 0.93 0.00 0.00 0.99 0.00 0.00 128 D 8.18 5.20 0.00 2.93 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 0.00 129 S 8.19 4.32 0.00 3.94 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 0.00 130 V 7.56 4.19 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 0.71 0.00 0.00 0.93 0.00 0.00 131 V 7.64 3.63 0.67 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 0.36 0.00 0.00 0.63 0.00 0.00 132 P 0.00 4.61 0.00 2.04 1.96 0.00 2.80 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.87 0.00 133 V 8.83 4.23 1.55 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 0.15 0.00 0.00 0.83 0.00 0.00 134 D 8.92 4.76 0.00 2.67 2.79 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 0.00 135 V 7.39 4.47 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 1.10 0.00 0.00 0.87 0.00 0.00 136 Y 9.01 5.16 0.00 2.87 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 0.00 137 V 8.71 4.52 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 1.07 0.00 0.00 1.01 0.00 0.00 138 P 0.00 4.62 0.00 2.11 2.12 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 139 G 8.31 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 0.00 0.00 0.00 140 C 7.80 4.50 0.00 2.90 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 0.00 141 P 0.00 4.62 0.00 2.23 2.04 0.00 3.84 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 1.98 1.95 0.00 142 P 0.00 4.25 0.00 2.22 2.36 0.00 3.82 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 2.01 2.09 0.00 143 R 8.60 4.00 0.00 1.85 1.86 0.00 3.17 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.68 0.00 144 P 0.00 4.25 0.00 2.20 2.08 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 145 E 8.30 4.06 0.00 2.05 2.02 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 2.40 2.45 0.00 146 A 7.85 4.22 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 0.00 147 L 7.96 4.00 0.00 1.73 1.79 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.89 3.65 2.11 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 1.53 0.38 0.95 0.00 0.00 149 Y 8.22 4.08 0.00 2.94 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 0.00 150 A 8.02 3.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.65 3.59 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 0.87 0.00 0.00 0.91 0.00 0.00 152 M 7.80 4.08 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.45 0.00 153 Q 7.23 3.63 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 154 L 7.46 3.88 0.00 1.69 1.60 0.49 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 8.84 3.59 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.33 0.00 156 K 8.36 4.20 0.00 1.63 1.65 0.00 1.54 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.46 7.81 157 K 7.98 4.34 0.00 1.63 1.85 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.24 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.25 1.30 7.81 158 V 7.23 3.89 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 -0.56 0.00 0.00 0.64 0.00 0.00 159 R 7.76 3.94 0.00 1.70 2.00 0.00 3.12 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 160 G 8.21 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 0.00 161 Q 7.38 4.41 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 162 A 7.27 4.26 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 8.21 5.51 0.00 2.90 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 0.00 164 N 8.37 4.90 0.00 3.00 3.05 0.00 0.00 5.93 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 0.00 165 E 8.76 4.03 0.00 2.01 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 2.35 2.31 0.00 166 R 8.07 3.93 0.00 1.91 2.01 0.00 3.14 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 167 G 8.36 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 0.00 0.00 0.00 168 E 8.17 4.55 0.00 2.10 1.91 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 2.35 2.31 0.00 169 R 8.56 4.77 0.00 2.08 1.97 0.00 3.30 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 170 L 8.20 4.91 0.00 1.82 1.59 0.93 0.88 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 0.00 171 P 0.00 4.31 0.00 2.13 2.12 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 172 P 0.00 4.58 0.00 2.27 2.44 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 173 V 7.65 4.40 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 0.63 0.00 0.00 0.77 0.00 0.00 174 A 7.92 4.31 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.17 4.15 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 * Residues marked with a * may have inaccurate shift predictions.