NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3187 8.3193 115.4040 58.3102 63.6809 173.5105 6 I 3.9106 8.2402 115.8639 59.7333 38.3748 174.2661 7 K 4.3952 9.4709 128.7289 54.3687 34.8869 176.5229 8 F 5.3956 8.5400 123.1531 56.1150 40.7923 175.0497 9 E 4.8822 9.6920 122.2674 54.4875 33.5481 174.6217 10 L 5.1561 8.5388 121.7234 53.0686 44.3255 175.7670 11 I 4.4637 8.7214 124.9005 59.4050 39.7285 174.3258 12 D 4.7866 8.7861 127.4250 53.8080 42.1804 175.3780 13 V 4.3377 8.4238 126.5061 60.6488 32.5691 173.7117 14 P 4.4563 0.0000 0.0000 62.4935 31.8133 176.5382 15 I 4.6913 8.0786 122.7943 58.6277 39.0687 173.3255 16 P 4.4169 0.0000 0.0000 61.9065 31.9656 176.2130 17 Q 4.1768 8.4167 122.3012 57.8619 29.3357 176.8000 18 G 4.0195 9.3026 113.4081 45.0503 0.0000 172.5578 19 T 5.0552 7.4917 108.5819 59.9313 71.9393 173.2074 20 N 5.4414 8.9394 118.4528 51.4800 43.3115 173.8947 21 V 4.6542 8.6978 120.8125 59.8840 34.8763 174.5159 22 I 5.1176 8.7207 123.3666 59.7248 40.6863 174.3482 23 I 4.7769 8.6558 127.6396 59.7784 40.6081 175.3382 24 G 3.2367 7.4666 111.8153 45.3083 0.0000 170.8909 25 Q 5.0912 8.6181 119.9594 54.2503 32.3271 174.5864 26 A 4.8970 8.9934 129.9499 50.5456 20.1083 174.9534 27 H 4.7029 8.5615 110.2382 57.3225 31.7042 171.3281 28 F 4.4674 8.7279 128.2367 58.2565 40.1661 175.6344 29 I 3.7157 8.0914 126.2828 64.0723 37.6185 177.6947 30 K 3.6643 6.1651 119.2973 58.5416 31.8028 178.2958 31 T 3.5364 7.3488 116.7189 66.8837 68.3296 176.3444 32 V 3.5310 7.0000 120.4514 64.9717 31.3088 178.3436 33 E 3.9844 7.8953 118.7455 59.0944 29.4395 178.8235 34 D 4.3417 8.1290 119.0131 57.2630 40.8059 178.8644 35 L 3.8277 8.0542 119.8493 57.5835 41.5608 178.7198 36 Y 3.8763 7.8814 119.3063 60.8143 38.7364 178.2104 37 E 3.8683 8.4664 119.1709 59.2919 29.3364 179.1142 38 A 3.8944 7.7429 119.8225 54.9995 18.6673 179.5722 39 L 3.7735 7.4571 117.2796 58.0437 41.5342 180.2084 40 V 3.5043 6.8937 110.8487 63.7601 31.4601 177.7588 41 T 4.2695 7.3604 107.0603 62.2393 69.1582 176.2397 42 S 4.4286 7.5415 118.2945 59.3136 63.7700 174.7032 43 V 4.3959 6.9097 120.1990 60.2712 34.3322 173.3605 44 P 4.2518 0.0000 0.0000 65.7300 31.1970 177.6553 45 G 4.0754 7.8504 103.4706 45.0642 0.0000 173.7047 46 V 3.9432 7.3409 119.9610 61.6970 31.9613 175.5608 47 K 4.9991 8.9469 123.4304 54.8292 35.1877 175.1865 48 F 5.3932 9.0320 118.5199 56.2454 42.1252 173.0405 49 G 4.5689 9.2936 105.8263 44.7321 0.0000 171.5669 50 I 5.5014 9.3301 124.3946 59.1953 41.5898 173.8171 51 A 5.4830 9.3988 129.9363 50.2541 22.8477 174.4654 52 F 5.4155 9.5914 122.8779 56.8152 43.1033 173.8518 53 C 4.4344 8.5865 124.6965 58.2108 27.9173 172.5739 54 E 3.7179 8.3468 125.4742 56.1697 29.9137 177.0337 55 A 4.4673 8.7483 128.9828 52.4463 19.9509 176.0216 56 S 4.5680 7.2385 109.5799 58.0283 66.8178 174.7933 57 G 3.6854 8.4185 109.7367 47.3794 0.0000 176.2290 58 K 4.0697 8.8531 123.1119 56.8121 32.4567 176.5018 59 R 4.4936 7.5985 116.9152 56.1319 28.3490 175.7615 60 L 4.6871 7.8568 116.3265 53.0132 44.8603 177.8821 61 V 4.1490 8.2813 122.1516 62.8112 31.8682 175.5832 62 R 4.6708 9.1899 128.8925 56.0655 31.5439 175.5943 63 H 5.5418 8.4651 116.5826 54.8689 31.7930 172.1978 64 E 4.8918 8.9142 117.4634 55.3104 34.2417 174.1513 65 A 4.3134 7.9584 121.4287 51.5296 21.7444 175.8352 66 N 4.7320 7.6474 115.3959 51.8773 37.9927 174.7708 67 D 4.4190 7.3431 118.3667 52.5432 44.1441 175.3730 68 E 3.9479 8.8327 127.6004 59.2049 29.6008 178.9049 69 E 3.8439 8.1524 119.0205 59.3981 29.8778 178.8158 70 L 3.9215 8.2294 118.9529 57.4129 41.5277 179.4926 71 R 3.9131 8.0560 118.8752 59.6883 30.0063 178.4651 72 N 4.3054 8.1424 116.1553 56.0613 38.4341 177.5384 73 L 3.7506 7.7362 120.2783 57.4767 41.5753 179.3691 74 A 4.3155 8.0538 120.6934 55.3080 18.4157 179.7337 75 I 3.6707 7.9820 118.4525 64.7477 37.2007 178.3977 76 D 4.3786 8.3774 119.9945 57.3638 40.5420 178.7276 77 L 4.0604 8.0838 120.8366 58.2742 42.0494 178.7976 78 C 4.1888 8.2003 116.8287 62.7951 27.8357 176.2531 79 K 4.0629 8.0262 119.1714 59.2091 31.6470 179.3774 80 K 4.1532 7.8078 118.1506 59.4513 32.1490 179.2266 81 I 3.7363 8.0264 119.0547 62.8418 37.7301 176.6579 82 A 3.7605 8.1894 120.5749 53.3647 16.5768 176.5496 83 A 4.6871 7.6716 121.6009 50.5482 22.3237 177.6140 84 G 3.8170 8.5542 113.1628 45.8317 0.0000 173.0143 *86 V 4.3432 7.3024 119.2564 62.8880 33.7580 174.7169 87 F 5.7510 8.8820 121.3941 55.1825 41.5560 173.9563 88 V 5.0089 9.3037 119.8666 61.3897 35.0632 174.2029 89 I 5.2770 9.1385 127.7249 59.8335 41.1309 173.7801 90 Y 5.2782 9.2477 124.3566 56.1252 41.0403 174.8264 91 I 5.3719 8.9219 116.7229 59.3287 41.4005 174.5312 92 R 4.7401 8.7255 122.1946 54.8989 34.6297 174.9517 93 N 4.1369 8.7191 115.6434 53.8388 36.0644 174.1398 94 A 4.1300 7.0407 115.8794 51.5240 21.7507 176.6943 95 W 4.9453 8.8386 121.1700 54.2710 31.7684 175.7202 96 P 4.3135 0.0000 0.0000 65.9829 30.5031 178.9871 97 I 3.7321 7.8632 110.0407 63.6572 37.4650 177.3533 98 N 4.5971 8.3225 117.5802 55.0305 38.8929 175.8545 99 V 4.4185 7.4141 110.4939 60.0284 34.2156 177.3926 100 L 4.0134 8.4012 121.1710 58.0033 41.5128 179.1032 101 N 4.3114 8.1426 115.6010 56.0380 38.2664 177.2224 102 A 3.9796 7.8263 121.2183 55.1175 18.9161 179.2456 103 I 3.7163 7.6502 118.1206 64.4865 36.9631 178.7748 104 K 4.0007 8.1255 118.4656 59.2752 31.9638 178.2148 105 N 4.7085 7.7171 113.3724 52.4109 39.1295 175.4076 106 V 3.7079 7.1868 122.7008 61.8343 32.0289 174.7624 107 P 4.2970 0.0000 0.0000 65.8876 31.4724 177.5897 108 E 4.0845 8.0815 117.0307 58.7347 29.7415 177.0964 109 V 3.9115 7.5578 119.3458 62.8948 31.8602 175.6939 110 V 4.5104 8.6026 119.2259 61.5114 34.2389 176.0750 111 R 4.5810 7.7890 117.6717 54.5087 34.8624 174.4364 112 I 4.4152 7.8435 121.6792 59.6303 39.3375 175.3172 113 F 4.5821 8.9014 127.6455 60.3362 39.5975 176.0828 114 A 4.5660 7.6825 116.4314 51.1435 22.4082 175.7240 115 A 4.9382 8.4234 121.4737 51.4224 21.5618 175.1407 116 T 4.4345 8.6247 115.0136 62.4135 71.6405 173.4249 117 A 4.8191 8.6015 123.3230 51.5841 20.1200 175.8193 118 N 4.8132 7.9785 114.6419 51.5800 40.1402 173.2015 119 P 4.4804 0.0000 0.0000 63.3255 32.5300 175.4917 120 L 5.2646 8.3749 123.7624 53.6273 45.9930 174.5674 121 K 5.0921 8.8343 123.2923 54.5776 36.5489 175.1098 122 V 4.5359 8.7442 123.3784 61.1697 34.2909 174.2462 123 I 4.7296 8.6305 129.2818 60.1493 38.7381 174.8328 124 V 4.8899 9.1209 127.2491 60.9127 34.6923 173.8598 125 A 5.1276 9.0979 128.6911 50.0540 21.7657 174.6743 126 E 4.8574 9.0766 123.9133 54.6657 31.3794 176.8000 127 V 4.0225 8.4433 119.7905 62.0636 33.6706 175.3949 128 E 4.6584 7.5656 117.0828 53.9660 33.4890 172.3690 129 P 4.3994 0.0000 0.0000 64.3712 31.4961 176.3275 130 E 3.7487 8.9591 121.4781 57.3873 27.1337 174.9353 131 R 4.4817 7.9682 118.4943 54.3854 31.2880 174.6170 132 R 5.2631 8.2588 120.4579 54.3904 34.1183 175.0606 133 G 4.2499 8.8363 107.1766 44.8364 0.0000 171.8918 134 V 4.1865 8.1772 121.5834 62.3022 31.5095 175.9853 135 V 3.7870 8.8070 129.3675 64.7888 32.3382 175.9010 136 G 3.9122 6.8803 105.5704 45.8537 0.0000 171.3881 137 V 4.7983 8.1287 110.8913 59.7497 36.3738 176.0118 138 V 4.1170 8.8045 122.8831 61.3089 32.9905 173.6271 139 D 4.3431 8.6764 127.7834 53.3814 41.2167 176.8130 140 G 3.8325 8.5555 118.5590 45.8406 0.0000 171.0350 141 H 4.8918 8.4751 117.2086 53.4137 31.6370 174.0974 142 S 4.3759 8.2818 115.2935 57.4368 63.5390 172.4328 143 P 4.4134 0.0000 0.0000 62.7991 31.5916 176.8207 144 L 4.2985 8.3402 121.3347 55.6042 42.5508 176.6903 145 G 3.9027 6.9532 103.4049 45.8485 0.0000 171.4302 146 V 4.3491 8.2040 118.9688 60.4435 33.3698 176.3174 147 E 4.2441 8.6455 124.9464 56.5993 30.3163 176.8959 148 T 4.4434 8.8457 112.2768 60.3482 72.2152 175.4280 149 E 3.9614 8.4791 120.2269 59.2783 29.5578 178.6377 150 K 3.9978 7.9771 118.3142 59.3797 32.1728 178.8733 151 D 4.3631 8.0839 119.3725 57.1831 40.7055 178.7646 152 R 3.9749 8.0297 119.2189 59.5974 30.1371 178.3609 153 E 3.9958 8.3899 118.4774 59.5499 29.4266 179.3609 154 E 4.0264 8.2455 118.8669 59.3206 29.6829 179.5271 155 R 4.1042 8.2366 116.0576 58.9158 29.6272 179.1022 156 K 4.0359 8.2511 119.7259 59.1805 31.9886 179.1613 157 K 3.9607 8.1711 120.0807 59.2520 32.0914 178.5840 158 F 4.1223 8.3474 120.9908 61.5117 39.3638 177.2432 159 L 3.6876 7.9980 118.0328 57.1518 41.1199 179.2603 160 R 4.4542 7.4993 118.1323 56.9177 30.5930 177.6581 161 E 4.3643 8.5991 117.0002 57.0002 30.6774 176.9882 162 V 3.8365 7.2192 117.5728 64.5758 32.2736 177.3432 163 V 3.2589 6.5337 112.2865 61.2285 31.7939 176.4815 164 K 3.9143 7.3741 117.2292 57.6567 29.2005 175.7216 165 Y 4.6529 7.6678 116.0742 59.0464 38.4521 175.7792 166 K 4.7520 7.6462 118.2711 54.5259 36.3664 176.2282 167 L 4.3144 8.3748 118.8831 55.0474 41.9407 176.7554 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 5 S 8.32 4.32 0.00 3.94 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 6 I 8.24 3.91 1.45 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 1.23 0.50 0.81 0.00 0.00 7 K 9.47 4.40 0.00 1.62 1.65 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.35 7.81 8 F 8.54 5.40 0.00 2.96 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 9 E 9.69 4.88 0.00 1.97 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 2.22 2.25 0.00 10 L 8.54 5.16 0.00 1.50 1.55 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.72 4.46 1.86 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 1.10 1.08 0.92 0.00 0.00 12 D 8.79 4.79 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 13 V 8.42 4.34 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 0.90 0.00 0.00 0.94 0.00 0.00 14 P 0.00 4.46 0.00 2.12 2.00 0.00 3.81 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 15 I 8.08 4.69 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.88 1.02 0.00 0.00 16 P 0.00 4.42 0.00 2.20 1.97 0.00 3.70 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 2.06 2.06 0.00 17 Q 8.42 4.18 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 18 G 9.30 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 19 T 7.49 5.06 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 1.27 0.00 0.00 20 N 8.94 5.44 0.00 2.79 2.75 0.00 0.00 6.89 7.54 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 21 V 8.70 4.65 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 0.72 0.00 0.00 0.30 0.00 0.00 22 I 8.72 5.12 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 1.03 0.00 0.00 23 I 8.66 4.78 1.90 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 1.10 0.79 0.98 0.00 0.00 24 G 7.47 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 25 Q 8.62 5.09 0.00 2.13 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.39 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 26 A 8.99 4.90 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 27 H 8.56 4.70 0.00 3.42 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.73 4.47 0.00 3.10 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 29 I 8.09 3.72 1.80 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 1.44 1.23 0.41 0.00 0.00 30 K 6.17 3.66 0.00 1.19 1.71 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.71 1.39 7.81 31 T 7.35 3.54 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 0.51 0.00 0.00 32 V 7.00 3.53 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 0.76 0.00 0.00 0.99 0.00 0.00 33 E 7.90 3.98 0.00 1.94 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 2.29 2.29 0.00 34 D 8.13 4.34 0.00 2.55 2.62 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 35 L 8.05 3.83 0.00 1.59 1.54 0.09 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.88 3.88 0.00 3.17 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 37 E 8.47 3.87 0.00 2.21 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 2.49 2.69 0.00 38 A 7.74 3.89 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 39 L 7.46 3.77 0.00 0.82 0.87 0.59 0.83 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 40 V 6.89 3.50 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 -0.03 0.00 0.00 0.70 0.00 0.00 41 T 7.36 4.27 4.19 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 1.19 0.00 0.00 42 S 7.54 4.43 0.00 3.95 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 43 V 6.91 4.40 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 1.07 0.00 0.00 0.92 0.00 0.00 44 P 0.00 4.25 0.00 2.08 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 45 G 7.85 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 0.00 0.00 0.00 46 V 7.34 3.94 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 0.80 0.00 0.00 1.02 0.00 0.00 47 K 8.95 5.00 0.00 1.67 1.69 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.47 7.81 48 F 9.03 5.39 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.29 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 9.33 5.50 2.09 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.79 1.26 0.00 0.00 51 A 9.40 5.48 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 52 F 9.59 5.42 0.00 3.07 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 53 C 8.59 4.43 0.00 2.89 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 54 E 8.35 3.72 0.00 2.06 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 2.49 2.34 0.00 55 A 8.75 4.47 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 56 S 7.24 4.57 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.23 2.36 0.00 65 A 7.96 4.31 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 7.65 4.73 0.00 2.73 2.66 0.00 0.00 6.63 7.39 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 67 D 7.34 4.42 0.00 2.56 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 0.00 0.00 0.00 0.00 68 E 8.83 3.95 0.00 1.98 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 0.00 2.37 2.29 0.00 69 E 8.15 3.84 0.00 1.98 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 0.00 2.28 2.34 0.00 70 L 8.23 3.92 0.00 1.84 1.82 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.06 3.91 0.00 1.96 2.07 0.00 3.08 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 72 N 8.14 4.31 0.00 2.72 2.79 0.00 0.00 7.10 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.74 3.75 0.00 1.24 0.22 0.53 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.05 4.32 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.98 3.67 1.84 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 1.46 0.94 0.88 0.00 0.00 76 D 8.38 4.38 0.00 2.70 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 77 L 8.08 4.06 0.00 2.07 1.83 0.98 1.09 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 78 C 8.20 4.19 0.00 3.27 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 79 K 8.03 4.06 0.00 1.91 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.62 7.81 80 K 7.81 4.15 0.00 1.89 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.76 7.81 81 I 8.03 3.74 1.92 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 1.43 0.60 0.87 0.00 0.00 82 A 8.19 3.76 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 83 A 7.67 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 84 G 8.55 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 V 7.30 4.34 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 1.11 0.00 0.00 1.00 0.00 0.00 87 F 8.88 5.75 0.00 3.39 3.46 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 0.00 88 V 9.30 5.01 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.00 0.00 0.00 89 I 9.14 5.28 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.97 1.01 0.00 0.00 90 Y 9.25 5.28 0.00 2.99 2.86 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 91 I 8.92 5.37 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 1.00 0.00 0.00 92 R 8.73 4.74 0.00 1.72 1.77 0.00 3.26 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 93 N 8.72 4.14 0.00 2.91 2.82 0.00 0.00 6.76 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.04 4.13 1.14 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 0.00 0.00 95 W 8.84 4.95 0.00 3.66 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 96 P 0.00 4.31 0.00 2.24 2.17 0.00 3.85 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 97 I 7.86 3.73 1.79 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.52 0.89 0.00 0.00 98 N 8.32 4.60 0.00 2.90 2.96 0.00 0.00 6.75 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 99 V 7.41 4.42 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 0.91 0.00 0.00 1.00 0.00 0.00 100 L 8.40 4.01 0.00 1.68 1.73 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.14 4.31 0.00 2.71 2.84 0.00 0.00 7.01 8.11 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 0.00 102 A 7.83 3.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.65 3.72 2.03 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 1.42 1.10 0.92 0.00 0.00 104 K 8.13 4.00 0.00 1.85 1.87 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.73 7.81 105 N 7.72 4.71 0.00 2.81 2.83 0.00 0.00 6.99 7.11 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 0.00 106 V 7.19 3.71 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 0.88 0.00 0.00 0.89 0.00 0.00 107 P 0.00 4.30 0.00 2.08 2.13 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 108 E 8.08 4.08 0.00 1.94 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 2.48 2.32 0.00 109 V 7.56 3.91 2.27 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 0.88 0.00 0.00 0.69 0.00 0.00 110 V 8.60 4.51 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 0.78 0.00 0.00 1.07 0.00 0.00 111 R 7.79 4.58 0.00 1.05 1.22 0.00 3.09 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 112 I 7.84 4.42 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.63 0.96 0.00 0.00 113 F 8.90 4.58 0.00 2.97 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 0.00 114 A 7.68 4.57 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 0.00 115 A 8.42 4.94 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 0.00 116 T 8.62 4.43 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 117 A 8.60 4.82 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 0.00 118 N 7.98 4.81 0.00 2.91 2.80 0.00 0.00 6.91 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 0.00 119 P 0.00 4.48 0.00 2.09 2.01 0.00 3.62 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 2.19 2.14 0.00 120 L 8.37 5.26 0.00 1.84 1.44 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.83 5.09 0.00 1.67 1.60 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.46 7.81 122 V 8.74 4.54 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 0.92 0.00 0.00 0.88 0.00 0.00 123 I 8.63 4.73 1.80 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 1.06 0.52 0.88 0.00 0.00 124 V 9.12 4.89 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 0.99 0.00 0.00 0.88 0.00 0.00 125 A 9.10 5.13 1.21 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 0.00 0.00 126 E 9.08 4.86 0.00 1.95 1.72 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 2.15 2.34 0.00 127 V 8.44 4.02 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 0.69 0.00 0.00 0.97 0.00 0.00 128 E 7.57 4.66 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 129 P 0.00 4.40 0.00 2.02 2.00 0.00 3.82 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 2.02 2.10 0.00 130 E 8.96 3.75 0.00 2.10 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 2.20 2.30 0.00 131 R 7.97 4.48 0.00 1.90 1.82 0.00 3.22 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 132 R 8.26 5.26 0.00 1.79 1.76 0.00 3.31 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 133 G 8.84 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 0.00 134 V 8.18 4.19 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 -0.20 0.00 0.00 0.62 0.00 0.00 135 V 8.81 3.79 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.15 0.00 0.00 136 G 6.88 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 0.00 137 V 8.13 4.80 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 0.66 0.00 0.00 1.00 0.00 0.00 138 V 8.80 4.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.89 0.00 0.00 139 D 8.68 4.34 0.00 2.73 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 0.00 140 G 8.56 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 0.00 141 H 8.48 4.89 0.00 3.12 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.28 4.38 0.00 3.98 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 0.00 143 P 0.00 4.41 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 144 L 8.34 4.30 0.00 1.62 1.71 0.90 0.85 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 0.00 145 G 6.95 3.90 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 0.00 0.00 0.00 146 V 8.20 4.35 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 0.88 0.00 0.00 0.93 0.00 0.00 147 E 8.65 4.24 0.00 2.10 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 2.27 2.29 0.00 148 T 8.85 4.44 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 0.00 149 E 8.48 3.96 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 150 K 7.98 4.00 0.00 1.80 1.84 0.00 1.74 0.00 0.00 2.00 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.47 7.81 151 D 8.08 4.36 0.00 2.97 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 0.00 152 R 8.03 3.97 0.00 1.89 2.14 0.00 3.11 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 153 E 8.39 4.00 0.00 2.21 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 2.66 0.00 154 E 8.25 4.03 0.00 2.19 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 2.48 0.00 155 R 8.24 4.10 0.00 2.09 2.18 0.00 2.79 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 156 K 8.25 4.04 0.00 2.03 1.91 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.58 7.81 157 K 8.17 3.96 0.00 1.98 2.02 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.70 7.81 158 F 8.35 4.12 0.00 3.13 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 0.00 159 L 8.00 3.69 0.00 1.90 1.67 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.50 4.45 0.00 1.85 1.94 0.00 3.21 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 161 E 8.60 4.36 0.00 1.97 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 2.23 2.25 0.00 162 V 7.22 3.84 1.58 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 0.67 0.00 0.00 0.96 0.00 0.00 163 V 6.53 3.26 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 -0.04 0.00 0.00 0.01 0.00 0.00 164 K 7.37 3.91 0.00 1.79 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.29 7.81 165 Y 7.67 4.65 0.00 2.86 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 0.00 166 K 7.65 4.75 0.00 1.72 1.65 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.39 7.81 167 L 8.37 4.31 0.00 1.60 1.53 0.92 0.82 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 * Residues marked with a * may have inaccurate shift predictions.