NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.5644 8.1927 115.5687 58.1540 65.4079 172.4101 21 D 4.6748 8.4510 120.1861 52.9990 42.1909 175.6324 22 A 4.1595 9.5300 128.4243 55.8285 19.4090 179.3519 23 H 4.0279 8.6424 114.6708 58.8508 28.6004 178.2739 24 V 3.5528 7.7019 119.5767 65.9986 31.3948 177.8217 25 L 3.4595 7.8098 119.5957 57.9024 41.8494 178.6337 26 K 4.1837 8.3833 119.6265 59.6649 31.9998 179.0378 27 S 4.3719 7.9958 115.1452 61.6780 62.7918 176.7261 28 R 3.9106 8.2222 121.0581 59.4632 29.5308 179.1830 29 L 4.3920 8.1577 117.5848 57.3862 41.6686 178.7812 30 E 3.9894 7.9531 117.7954 57.4912 29.8781 177.1852 31 W 4.9322 8.8953 115.5482 55.9796 31.3214 175.8539 32 G 4.0658 8.2647 109.9331 44.7824 0.0000 173.9716 33 E 4.2337 8.6955 115.1574 55.2764 30.1749 176.0643 34 P 4.3829 0.0000 0.0000 65.1167 32.0399 177.7394 35 A 4.4307 7.2279 122.3588 50.9301 15.9000 175.7927 36 F 5.2953 6.7854 115.4459 55.6736 41.4994 175.3840 37 T 4.8248 9.2934 115.6016 62.0031 73.0330 172.8861 38 I 5.0558 8.4781 124.7702 59.6636 40.2732 174.3398 39 L 4.7042 9.0209 127.4368 52.8518 44.0718 175.1573 40 D 3.8244 8.5393 125.1225 52.9574 41.8015 175.9111 41 V 4.1285 8.0774 125.4998 61.7040 33.0746 176.5105 42 R 4.6466 7.9277 122.0931 55.0502 32.1161 175.1140 43 D 4.5541 8.4452 116.7417 54.9153 42.7613 177.1835 44 R 3.8662 8.4662 124.7722 59.7175 30.3081 179.0376 45 S 4.1687 8.2687 113.5432 61.8407 62.6165 176.3963 46 T 3.8789 8.2987 118.7394 66.4477 68.4896 175.4803 47 Y 4.3035 8.1750 121.4167 61.0618 38.7967 178.0414 48 N 4.3253 8.6807 117.4856 56.5890 38.4449 177.1133 49 D 4.7155 8.4558 119.1422 54.5473 41.1047 176.9815 50 G 4.3244 6.7544 111.2330 45.4992 0.0000 171.8012 51 H 5.0796 7.9715 119.2122 53.6667 33.6901 176.4459 52 I 3.4962 8.9992 123.9612 62.2533 35.3211 179.0458 *54 G 3.8461 9.2523 119.8785 45.8692 0.0000 174.8642 55 A 4.7960 8.0460 120.9061 51.1664 18.3610 176.2843 *57 A 3.2965 8.2417 116.9704 51.3169 19.8665 174.6084 *59 P 4.3941 0.0000 0.0000 62.2742 32.4682 177.5574 60 I 3.5724 8.0937 123.7530 64.8197 38.0338 178.3924 61 E 4.0284 8.1791 115.0867 58.2427 29.8227 180.0659 62 D 4.9130 8.0228 116.1512 53.4016 42.5027 177.1430 63 L 3.8691 7.8223 120.8921 57.6485 41.9494 178.9021 64 V 3.5788 7.6725 118.2750 65.0327 31.2310 177.4066 65 D 4.4521 8.3142 122.3862 57.6210 40.4484 179.8996 66 R 3.9311 8.0799 120.3893 61.2899 29.3275 180.6448 67 A 4.1193 8.4973 122.4418 55.0279 18.2239 180.0164 68 S 4.1388 8.5662 111.8510 60.8653 63.1077 175.6867 69 S 4.6194 7.5918 115.8279 58.5684 63.3369 174.3444 70 S 4.5894 7.6457 114.8351 57.5139 64.1552 173.5876 71 L 4.8538 8.7595 122.3421 53.0370 44.4135 176.8754 72 E 4.2314 8.5747 118.3669 55.6709 30.4917 176.7917 73 K 3.8230 8.4101 120.6584 58.2522 32.3315 178.9308 74 S 4.1744 7.7828 111.7946 58.7483 63.8017 174.5789 75 R 4.0172 7.5344 121.9791 56.3022 30.4798 175.4868 76 D 4.7484 8.8173 124.9465 54.5436 42.1749 175.1416 77 I 5.0415 8.9343 124.4263 59.6208 41.0480 173.9456 78 Y 5.1675 9.1570 124.2616 56.2059 40.6344 174.9543 79 V 5.0919 8.8849 123.9721 61.4454 35.1830 173.7547 80 Y 5.1598 8.3223 122.6699 56.1978 41.4817 174.3543 81 G 4.3259 8.9093 110.7179 44.3235 0.0000 172.7967 82 A 4.0685 9.1156 122.0647 54.8721 18.7325 178.1391 83 G 4.1758 7.4473 98.2243 42.9080 0.0000 173.5318 84 D 4.4228 8.6740 119.1481 57.2731 40.6777 178.7814 85 E 3.8978 8.1068 119.2220 59.4570 29.7921 178.5361 86 Q 3.9851 8.0399 119.0687 59.3509 29.0679 178.1608 87 T 3.8829 8.1422 117.1061 66.7035 68.5563 176.8734 88 S 4.6090 8.4251 117.9401 60.9107 62.9102 176.3327 89 Q 3.9022 8.2734 122.9541 58.8739 28.8413 177.9662 90 A 3.9344 8.1012 121.8588 55.2014 18.3517 179.6857 91 V 3.5236 8.0045 116.9015 66.2288 31.4892 178.0108 92 N 4.3389 8.3260 116.1414 56.2225 38.3365 177.1144 93 L 3.9755 7.9912 120.3145 58.0607 41.7931 179.5190 94 L 4.0748 7.8891 118.5086 58.1077 41.4881 180.0458 95 R 4.3418 8.1914 119.1274 58.7506 29.8605 179.1733 96 S 4.2258 8.2918 112.4354 60.4282 63.0308 175.2307 97 A 4.4837 7.5042 122.6672 51.9404 18.9773 177.7151 98 G 3.8676 8.2769 106.9073 44.9876 0.0000 174.6262 99 F 4.0691 8.1848 119.8951 57.6512 39.3459 175.8574 100 E 4.4369 8.9656 124.3253 57.3845 30.6702 176.1854 101 H 5.0126 7.8890 115.5150 53.2675 29.3072 171.6550 102 V 4.9807 7.9481 119.6155 60.8574 34.6419 174.3396 103 S 4.7782 8.6277 120.1987 56.7853 67.0271 173.2648 104 E 4.7012 8.7975 120.3706 56.2363 31.4806 175.5951 105 L 4.6984 8.7378 126.4977 53.3881 42.9407 175.7750 106 K 3.9761 8.6276 126.5065 56.2234 32.2272 175.8336 107 G 4.0751 9.0111 111.8885 43.2248 0.0000 174.6379 108 G 3.8499 8.1225 108.7511 45.9043 0.0000 174.2010 109 L 3.6448 8.6299 119.0259 58.3324 42.0589 179.4440 110 A 3.9862 8.1640 119.7189 55.5530 18.0236 179.4129 111 A 3.9824 7.8857 118.4840 54.7915 18.3464 179.7589 112 W 4.0545 7.9508 126.8244 60.4474 30.8084 178.4897 113 K 3.8584 8.4650 118.4395 59.4423 31.3159 178.8645 114 A 4.0559 7.7416 119.9732 54.9949 18.1815 178.6929 115 I 4.1404 6.9196 107.3798 60.6648 38.0319 176.8273 116 G 3.7335 8.1890 108.0491 45.5227 0.0000 174.4897 117 G 2.2359 6.9626 109.0837 43.8816 0.0000 172.5077 118 P 4.4850 0.0000 0.0000 62.9120 32.0623 175.7788 119 T 4.9455 8.3695 117.3743 61.7602 71.6000 173.0578 120 E 4.6854 8.8670 124.3227 54.5624 32.4454 175.2157 121 G 4.3865 8.3048 107.2667 44.7299 0.0000 171.6906 122 I 4.5790 8.6882 122.8229 59.1441 39.0714 176.0759 123 I 4.5670 7.5879 124.0549 60.6088 37.8227 176.4549 *137 V 4.0809 7.6878 118.0344 61.1149 33.4690 176.2474 138 S 4.5422 7.7468 114.6511 59.3263 64.2628 175.0985 139 R 4.3637 7.6881 121.0110 57.0017 29.7054 177.7939 *141 Q 4.2539 8.2107 116.9472 55.5567 30.7548 177.3357 142 N 4.2228 8.4846 115.2705 56.9065 39.2188 175.2560 143 H 4.1323 8.6515 119.0680 60.6250 30.0341 175.3355 144 L 4.0839 7.1894 122.6917 53.4558 40.1781 178.2465 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 20 S 8.19 4.56 0.00 4.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.45 4.67 0.00 2.90 2.61 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 0.00 0.00 0.00 0.00 22 A 9.53 4.16 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 23 H 8.64 4.03 0.00 3.28 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.70 3.55 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 1.09 0.00 0.00 0.96 0.00 0.00 25 L 7.81 3.46 0.00 1.37 1.83 0.22 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.38 4.18 0.00 1.58 1.86 0.00 0.99 0.00 0.00 1.33 0.00 0.00 2.74 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.48 1.28 7.81 27 S 8.00 4.37 0.00 4.18 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 28 R 8.22 3.91 0.00 1.50 1.07 0.00 3.28 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 0.00 29 L 8.16 4.39 0.00 2.05 1.89 1.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.95 3.99 0.00 1.73 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 2.09 2.40 0.00 31 W 8.90 4.93 0.00 3.25 3.26 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 32 G 8.26 4.07 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 0.00 33 E 8.70 4.23 0.00 1.91 1.85 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 2.32 1.91 0.00 34 P 0.00 4.38 0.00 2.02 2.11 0.00 3.98 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 35 A 7.23 4.43 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 36 F 6.79 5.30 0.00 3.38 3.20 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 37 T 9.29 4.82 4.28 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 1.21 0.00 0.00 38 I 8.48 5.06 1.97 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 1.50 1.82 1.07 0.00 0.00 39 L 9.02 4.70 0.00 1.50 1.42 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.54 3.82 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.08 4.13 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 0.65 0.00 0.00 0.84 0.00 0.00 42 R 7.93 4.65 0.00 1.94 1.94 0.00 3.20 0.00 0.00 3.45 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 43 D 8.45 4.55 0.00 2.79 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 44 R 8.47 3.87 0.00 1.92 1.91 0.00 3.15 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 45 S 8.27 4.17 0.00 4.11 4.14 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 46 T 8.30 3.88 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 1.27 0.00 0.00 47 Y 8.17 4.30 0.00 3.01 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 48 N 8.68 4.33 0.00 3.05 2.90 0.00 0.00 7.12 8.45 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 49 D 8.46 4.72 0.00 2.79 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 50 G 6.75 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 51 H 7.97 5.08 0.00 3.34 3.25 0.00 5.27 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 9.00 3.50 1.58 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.17 -0.46 0.00 0.00 *54 G 9.25 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 55 A 8.05 4.80 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 *57 A 8.24 3.30 0.07 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 *59 P 0.00 4.39 0.00 2.19 2.27 0.00 3.80 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 60 I 8.09 3.57 1.93 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 1.13 1.28 0.88 0.00 0.00 61 E 8.18 4.03 0.00 2.03 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 2.23 1.87 0.00 62 D 8.02 4.91 0.00 2.69 2.51 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 0.00 0.00 0.00 0.00 63 L 7.82 3.87 0.00 1.66 1.59 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.67 3.58 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 0.96 0.00 0.00 0.99 0.00 0.00 65 D 8.31 4.45 0.00 2.95 2.77 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 0.00 0.00 0.00 66 R 8.08 3.93 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 67 A 8.50 4.12 0.99 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 68 S 8.57 4.14 0.00 4.05 4.22 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 69 S 7.59 4.62 0.00 4.01 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 70 S 7.65 4.59 0.00 3.78 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 71 L 8.76 4.85 0.00 1.91 1.76 0.92 0.49 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 72 E 8.57 4.23 0.00 1.89 1.83 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 2.31 1.90 0.00 73 K 8.41 3.82 0.00 1.55 1.68 0.00 1.25 0.00 0.00 0.80 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.05 7.81 74 S 7.78 4.17 0.00 3.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.53 4.02 0.00 1.85 2.10 0.00 3.36 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 76 D 8.82 4.75 0.00 2.98 2.56 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 0.00 0.00 77 I 8.93 5.04 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.18 0.82 0.00 0.00 78 Y 9.16 5.17 0.00 2.95 2.89 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 79 V 8.88 5.09 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 0.95 0.00 0.00 0.87 0.00 0.00 80 Y 8.32 5.16 0.00 3.10 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 81 G 8.91 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 9.12 4.07 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 83 G 7.45 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.67 4.42 0.00 2.72 2.76 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 85 E 8.11 3.90 0.00 2.04 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 2.38 2.37 0.00 86 Q 8.04 3.99 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 87 T 8.14 3.88 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 88 S 8.43 4.61 0.00 4.03 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 89 Q 8.27 3.90 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 90 A 8.10 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.00 3.52 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 1.03 0.00 0.00 0.98 0.00 0.00 92 N 8.33 4.34 0.00 2.97 2.86 0.00 0.00 7.04 6.34 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 93 L 7.99 3.98 0.00 1.87 1.72 0.90 0.51 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 94 L 7.89 4.07 0.00 1.65 1.57 0.69 0.48 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 95 R 8.19 4.34 0.00 2.01 2.01 0.00 3.16 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 96 S 8.29 4.23 0.00 4.03 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 97 A 7.50 4.48 1.56 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 0.00 0.00 0.00 0.00 98 G 8.28 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 0.00 0.00 0.00 99 F 8.18 4.07 0.00 3.22 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 0.00 100 E 8.97 4.44 0.00 1.82 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 101 H 7.89 5.01 0.00 3.17 3.16 0.00 5.57 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 0.00 102 V 7.95 4.98 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 0.78 0.00 0.00 0.95 0.00 0.00 103 S 8.63 4.78 0.00 3.92 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 0.00 104 E 8.80 4.70 0.00 2.01 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 2.42 2.34 0.00 105 L 8.74 4.70 0.00 1.95 1.67 0.95 0.97 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 0.00 106 K 8.63 3.98 0.00 1.82 1.63 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.29 7.81 107 G 9.01 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 0.00 108 G 8.12 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 0.00 109 L 8.63 3.64 0.00 1.73 1.70 0.97 0.87 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 0.00 110 A 8.16 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 0.00 111 A 7.89 3.98 1.41 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 0.00 0.00 0.00 112 W 7.95 4.05 0.00 3.30 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 0.00 113 K 8.46 3.86 0.00 1.99 1.84 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.75 7.81 114 A 7.74 4.06 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 0.00 115 I 6.92 4.14 1.59 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.16 0.73 0.00 0.00 116 G 8.19 3.73 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 0.00 0.00 0.00 117 G 6.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.49 0.00 2.20 2.05 0.00 3.93 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 2.09 2.11 0.00 119 T 8.37 4.95 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 1.22 0.00 0.00 120 E 8.87 4.69 0.00 1.93 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 2.03 1.72 0.00 121 G 8.30 4.39 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 0.00 122 I 8.69 4.58 1.90 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 1.29 0.54 0.94 0.00 0.00 123 I 7.59 4.57 1.87 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 1.46 0.58 0.91 0.00 0.00 *137 V 7.69 4.08 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 0.75 0.00 0.00 0.95 0.00 0.00 138 S 7.75 4.54 0.00 4.02 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 0.00 139 R 7.69 4.36 0.00 1.87 1.91 0.00 3.19 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 *141 Q 8.21 4.25 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 142 N 8.48 4.22 0.00 2.76 2.84 0.00 0.00 7.19 8.75 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 0.00 143 H 8.65 4.13 0.00 3.19 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.19 4.08 0.00 1.78 1.37 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.