NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3125 8.2644 123.5805 52.0994 20.1314 177.8614 3 R 3.8523 8.0864 123.0927 59.2715 30.7686 175.7658 4 R 4.0359 8.1560 117.2983 58.4646 31.3470 175.3592 5 R 4.5580 7.3660 114.8417 54.0673 33.1947 174.1091 6 R 3.8158 8.5550 122.1835 56.1799 30.0398 176.2072 7 A 4.0353 8.5773 128.3763 52.7021 18.8300 176.3781 8 E 4.1218 8.5296 121.2592 55.3445 30.2978 176.7350 9 V 3.4931 8.3295 123.4243 62.6871 31.3269 175.3030 10 R 3.7784 8.6377 127.9287 56.8261 29.9871 175.5225 11 Q 4.1646 8.5886 126.7175 55.6720 29.8017 175.1690 12 L 4.6013 8.1499 124.6467 53.1995 43.6977 175.8623 13 Q 4.3051 8.3031 119.6589 54.4351 29.4745 174.7506 14 P 4.3820 0.0000 0.0000 62.3053 32.2540 175.6539 15 D 4.5555 8.3608 120.3000 55.1719 41.5765 177.1907 16 L 4.5337 8.5658 121.7674 55.0910 42.4875 177.5000 17 V 4.1543 8.8533 117.7716 63.1850 33.3046 175.4756 18 Y 4.5278 8.9271 114.8024 56.4617 39.2972 176.1228 19 G 4.7305 8.3349 106.9163 45.8865 0.0000 172.3687 20 D 4.9141 7.5730 118.6370 52.2687 42.5833 177.9016 21 V 3.7373 8.3958 120.0561 64.2395 31.6645 178.2492 22 L 4.0570 8.6161 120.4037 57.5971 41.7656 179.1824 23 V 3.1529 7.6661 118.1311 65.8810 31.6106 177.8682 24 T 3.6824 7.8108 114.7815 66.5222 68.2301 175.7355 25 A 3.9221 8.2423 122.9349 55.6353 18.3639 179.3475 26 F 4.1076 8.2434 118.0526 61.3984 39.4726 177.2302 27 I 3.3039 7.9133 119.8124 64.5693 36.7016 177.9449 28 N 4.2235 8.2486 115.7610 56.4509 38.4528 177.3851 29 K 4.0171 7.4614 118.3286 59.3376 32.1005 179.1959 30 I 3.6636 6.9086 119.1463 63.1216 37.4065 176.7037 31 M 4.1112 7.1715 118.8246 55.6317 32.8506 175.4479 32 R 4.6362 8.0362 122.6958 55.4280 33.8779 174.7191 33 D 4.4157 9.7777 117.7180 55.1516 38.6077 174.3510 34 G 3.9162 8.2279 102.9896 46.8571 0.0000 176.4484 35 K 4.3100 8.2676 119.7211 54.4875 28.8506 177.4453 36 K 3.7899 7.8916 123.0191 60.5878 32.3885 176.0970 37 N 4.3849 8.3944 116.8730 55.3808 38.8358 176.3285 38 L 3.8296 7.6814 120.4988 59.0687 42.7720 178.4685 39 A 3.7557 8.4107 118.5701 55.1825 18.0884 179.3363 40 A 3.7793 8.2831 116.6259 54.7364 19.0014 179.5187 41 R 3.9612 8.3491 117.2354 59.9485 30.0653 178.2224 42 I 3.6990 7.9250 119.2550 64.9902 37.2498 177.4517 43 F 4.2254 8.0862 120.5458 61.6974 38.9862 176.3224 44 Y 4.2121 7.6831 115.5217 61.5535 37.8490 178.8745 45 D 4.3610 8.4129 119.1808 57.4807 41.0590 178.8657 46 A 4.0605 8.0631 120.9322 55.0891 18.4010 179.4690 47 C 4.0698 7.7785 115.6508 62.6411 28.1107 176.3297 48 K 4.0479 8.2207 120.4796 59.4442 31.4583 179.3589 49 I 3.8738 7.8226 118.7367 63.6047 36.6963 177.9507 50 I 4.0457 7.2472 119.8590 63.8581 37.1489 178.0576 51 Q 4.1370 7.8575 118.5669 58.9805 28.5182 178.1344 52 E 4.1989 8.4184 118.6653 57.7478 29.7077 176.7982 53 K 4.5194 7.2520 115.6773 56.4372 33.8134 175.8643 54 T 4.2593 8.1904 113.9330 63.2450 71.5765 174.5544 55 G 3.8896 8.9430 117.0718 47.7158 0.0000 172.9359 56 Q 4.3042 7.6211 118.5777 55.1992 29.7742 176.2774 57 E 4.2623 8.5225 120.2218 55.3190 31.3807 176.1203 58 P 4.2209 0.0000 0.0000 66.2169 31.3727 178.2137 59 L 3.7950 8.2119 120.5624 57.4936 41.8032 178.5803 60 K 3.8987 8.1970 118.6006 59.6481 32.0862 178.3525 61 V 3.5389 7.9023 118.1505 66.8566 31.3780 176.9817 62 F 3.8623 9.0765 119.0401 61.8150 39.0654 176.9589 63 K 3.5506 8.7054 116.9715 59.7815 32.2936 179.0021 64 Q 3.8721 8.0278 119.0650 59.0325 28.7529 178.1232 65 A 3.9697 7.9416 120.8942 55.1219 18.8666 179.3306 66 V 3.4550 7.4962 116.9135 66.2223 31.3087 177.7047 67 E 3.8957 8.2486 117.7365 59.4983 29.4082 178.2212 68 N 4.5234 7.9388 115.4279 55.3971 38.8179 176.7394 69 V 4.1526 7.3621 117.0837 62.4173 31.9018 175.8814 70 K 4.1731 7.5823 118.4068 56.0109 32.1528 174.7374 71 P 4.7047 0.0000 0.0000 62.8335 31.6638 176.5844 72 R 4.3108 9.3389 121.9015 58.1561 31.3029 175.8933 73 M 5.0981 7.8262 117.0172 54.2141 35.4109 173.5334 74 E 4.9183 9.2273 121.8165 54.8742 33.9113 174.2855 75 V 4.3983 8.3873 121.1662 60.9062 32.4436 175.3966 76 R 4.5293 8.7546 127.7570 54.0523 31.3757 174.9529 77 S 4.6035 8.7185 121.6172 59.1700 63.2879 173.6140 78 R 4.7684 8.8409 125.5913 55.4387 33.6741 174.2983 79 R 4.6586 8.6572 123.1430 55.1412 31.2979 176.4017 80 V 4.2302 7.3104 111.7767 60.7166 32.5932 174.8370 81 G 3.5255 7.8818 111.3776 44.6057 0.0000 171.7469 82 G 3.2962 8.0345 118.3082 45.4435 0.0000 170.6188 83 A 4.2107 6.7799 120.9700 51.7105 22.3088 174.6176 84 N 4.9594 8.7403 116.4592 52.2750 40.4891 174.7083 85 Y 4.9762 8.6101 121.2775 56.0603 40.8245 174.6082 86 Q 4.1031 9.2225 123.7873 56.7653 28.8381 175.6519 87 V 4.2859 8.3587 124.8930 60.3836 32.7536 173.3299 88 P 4.7825 0.0000 0.0000 63.5885 31.8748 175.5385 89 M 4.7716 8.9731 121.0234 53.6989 36.9045 174.3521 90 E 4.3688 8.6893 120.2089 56.6538 30.7797 176.3718 91 V 4.2874 7.6246 120.9681 60.8472 33.1847 175.6504 92 S 4.1300 8.8540 122.4863 58.2046 63.1284 172.5751 93 P 4.1791 0.0000 0.0000 66.3252 30.6690 178.3097 94 R 3.8005 8.0129 118.3649 59.0202 29.9363 178.0770 95 R 3.8104 7.6079 117.3695 59.7056 29.9844 177.7876 96 Q 3.8122 8.5354 117.7966 59.2501 28.6663 178.7408 97 Q 3.8762 8.0502 119.6704 59.7686 29.0581 179.1310 98 S 4.0163 7.8789 115.5120 61.8675 62.9316 176.7019 99 L 3.1282 8.1190 121.0887 58.0520 41.1509 178.8714 100 A 4.0197 8.2995 120.1972 55.5844 18.1747 179.3585 101 L 4.1013 8.3958 115.3711 57.8126 42.0552 179.8146 102 R 3.8617 8.1740 118.7350 59.5476 29.9622 178.4854 103 W 4.5686 8.6211 118.7468 59.7404 28.9178 178.4151 104 L 4.1033 8.4142 119.2075 58.1021 41.2712 179.7470 105 V 3.5826 7.9892 117.9109 66.0283 31.1597 178.1436 106 Q 3.9803 8.1772 116.7450 58.9240 28.8814 178.1887 107 A 4.1398 8.6970 121.7873 55.2201 18.0238 179.2238 108 A 4.0309 8.7866 119.7579 55.5040 18.2123 178.7382 109 N 4.7526 7.8886 111.1854 54.0906 38.9234 176.6415 110 Q 4.2884 8.1556 120.5301 56.7065 29.4003 176.4302 111 R 4.1583 6.8278 117.3294 55.5853 30.8824 175.2901 112 P 4.3565 0.0000 0.0000 65.7598 31.7400 176.8491 113 E 3.8756 8.1891 115.9057 56.1988 29.3743 177.2377 114 R 4.1450 8.5921 117.2784 57.0345 30.4688 176.1228 115 R 4.4488 7.6459 118.9388 54.6625 31.5389 175.7630 116 A 3.7270 8.1755 123.9221 55.4216 18.4589 178.6609 117 A 3.9455 8.0948 116.9298 55.2639 18.5248 179.9030 118 V 3.3962 7.9250 116.2595 66.1820 31.5761 178.1986 119 R 3.9344 8.0036 117.1334 59.5297 29.9419 178.9292 120 I 3.8234 7.9637 118.9274 64.6192 37.1039 177.8311 121 A 4.0074 8.1572 121.3755 55.9802 18.1039 179.1684 122 H 4.1907 8.9896 113.7191 58.9794 28.9214 177.7265 123 E 3.9759 8.5965 121.1372 59.2312 29.4519 178.6882 124 L 3.9521 8.3924 119.3277 58.2023 41.8680 179.0702 125 M 4.0427 8.3677 118.6947 58.9905 31.9898 178.5958 126 D 4.3935 8.5775 118.6902 57.4353 40.9188 178.8321 127 A 4.1455 8.7354 122.6517 54.6911 18.3069 179.4945 128 A 4.0268 8.5224 118.4777 54.8071 18.4954 178.6025 129 E 4.1993 7.7719 115.6007 56.7619 30.0267 177.0470 130 G 3.9616 8.8031 107.0849 45.1554 0.0000 172.6471 131 K 4.5527 8.3882 119.0604 54.4767 35.6811 175.5494 132 G 3.9581 8.9403 105.0097 45.9731 0.0000 174.6101 133 G 3.8461 8.9461 108.9478 47.8605 0.0000 175.6918 134 A 3.8982 8.2762 122.5598 55.2806 18.4278 179.7518 135 V 3.5306 7.8427 116.0406 66.2732 31.3174 177.4862 136 K 3.8010 7.8133 118.8247 59.0466 31.8999 178.4574 137 K 3.6949 7.7966 118.3903 59.4176 32.0764 178.6125 138 K 3.4861 7.3345 119.2582 59.7283 31.9943 178.3710 139 E 3.9117 8.2762 118.5687 59.6819 29.3103 179.0348 140 D 4.3327 8.7408 119.8931 57.3717 40.6891 179.3654 141 V 3.5432 7.8639 118.9382 66.0892 31.6046 177.6718 142 E 4.0750 8.1854 118.2807 60.3572 29.2466 178.6806 143 R 3.8345 8.8145 118.3813 59.1414 29.9007 177.9854 144 M 4.0285 8.1939 117.3899 59.1372 32.1923 178.2911 145 A 3.8467 8.0772 118.5474 56.2124 18.8635 178.9214 146 E 3.9380 8.8618 116.2798 59.0405 29.6591 179.2067 147 A 4.0977 8.5971 120.7619 53.8617 18.5114 178.1053 148 N 4.6367 7.7543 115.1773 52.8181 40.1824 176.6734 149 R 3.7890 7.6727 121.8871 58.8809 29.8199 177.4682 150 A 3.9039 7.5505 119.0634 54.7315 18.6652 177.8560 151 Y 4.3052 7.6797 113.5330 57.8819 38.3634 177.1309 152 A 4.0796 7.6027 123.1855 54.5668 18.1544 178.1186 153 H 4.7818 7.9385 111.2723 55.9965 28.7503 175.3443 154 Y 4.7574 8.0468 116.1968 59.5854 37.8862 179.1059 155 R 2.9512 7.4856 118.5412 55.6007 32.1859 175.6405 156 W 4.0315 7.9828 118.9771 56.9553 29.0293 173.9778 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 4.31 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.09 3.85 0.00 1.85 1.95 0.00 3.22 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 4 R 8.16 4.04 0.00 1.80 1.92 0.00 3.26 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 5 R 7.37 4.56 0.00 1.74 1.71 0.00 3.46 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 6 R 8.55 3.82 0.00 1.81 1.86 0.00 3.32 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 7 A 8.58 4.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.53 4.12 0.00 1.97 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 2.30 2.29 0.00 9 V 8.33 3.49 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 0.75 0.00 0.00 0.93 0.00 0.00 10 R 8.64 3.78 0.00 1.80 1.87 0.00 3.27 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 11 Q 8.59 4.16 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 12 L 8.15 4.60 0.00 1.67 1.58 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.30 4.31 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 14 P 0.00 4.38 0.00 2.21 2.09 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 15 D 8.36 4.56 0.00 3.03 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 16 L 8.57 4.53 0.00 1.76 1.72 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.85 4.15 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.42 0.00 0.00 18 Y 8.93 4.53 0.00 3.22 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 19 G 8.33 4.73 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 20 D 7.57 4.91 0.00 2.93 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 21 V 8.40 3.74 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 0.79 0.00 0.00 0.96 0.00 0.00 22 L 8.62 4.06 0.00 1.76 2.07 0.99 0.86 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 23 V 7.67 3.15 2.17 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 0.73 0.00 0.00 0.58 0.00 0.00 24 T 7.81 3.68 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 1.23 0.00 0.00 25 A 8.24 3.92 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 26 F 8.24 4.11 0.00 3.40 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 27 I 7.91 3.30 1.87 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.78 0.00 0.00 28 N 8.25 4.22 0.00 2.73 2.83 0.00 0.00 7.15 7.48 0.00 0.00 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 K 7.46 4.02 0.00 1.57 1.75 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.59 7.81 30 I 6.91 3.66 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.19 0.81 0.00 0.00 31 M 7.17 4.11 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 32 R 8.04 4.64 0.00 1.84 1.73 0.00 3.31 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 33 D 9.78 4.42 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 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 0.00 0.00 0.00 35 K 8.27 4.31 0.00 1.89 1.78 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.43 7.81 36 K 7.89 3.79 0.00 1.85 1.84 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.60 7.81 37 N 8.39 4.38 0.00 2.85 2.72 0.00 0.00 6.81 6.66 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 38 L 7.68 3.83 0.00 1.80 1.83 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.41 3.76 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 40 A 8.28 3.78 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 41 R 8.35 3.96 0.00 1.95 2.27 0.00 3.17 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 42 I 7.92 3.70 2.07 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 1.43 0.72 0.98 0.00 0.00 43 F 8.09 4.23 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.68 4.21 0.00 3.31 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 45 D 8.41 4.36 0.00 2.90 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 46 A 8.06 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 C 7.78 4.07 0.00 3.14 2.93 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 48 K 8.22 4.05 0.00 2.01 1.86 0.00 1.58 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.53 7.81 49 I 7.82 3.87 1.98 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 1.52 0.72 0.91 0.00 0.00 50 I 7.25 4.05 2.02 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 1.77 1.34 0.93 0.00 0.00 51 Q 7.86 4.14 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 52 E 8.42 4.20 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 2.33 2.33 0.00 53 K 7.25 4.52 0.00 1.83 1.79 0.00 1.94 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 54 T 8.19 4.26 4.49 0.00 0.00 0.00 0.00 0.00 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 55 G 8.94 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 0.00 0.00 0.00 56 Q 7.62 4.30 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 57 E 8.52 4.26 0.00 2.10 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 2.44 2.40 0.00 58 P 0.00 4.22 0.00 2.18 2.52 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 59 L 8.21 3.80 0.00 1.88 1.97 0.94 0.72 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 60 K 8.20 3.90 0.00 2.06 1.84 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.56 7.81 61 V 7.90 3.54 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 1.03 0.00 0.00 1.02 0.00 0.00 62 F 9.08 3.86 0.00 3.06 3.22 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 63 K 8.71 3.55 0.00 2.00 1.85 0.00 1.80 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.82 7.81 64 Q 8.03 3.87 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 65 A 7.94 3.97 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 66 V 7.50 3.45 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 0.79 0.00 0.00 -0.05 0.00 0.00 67 E 8.25 3.90 0.00 1.94 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 0.00 2.30 2.38 0.00 68 N 7.94 4.52 0.00 2.87 2.85 0.00 0.00 6.96 6.96 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 69 V 7.36 4.15 2.17 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 1.18 0.00 0.00 1.02 0.00 0.00 70 K 7.58 4.17 0.00 1.80 1.76 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.41 1.63 7.81 71 P 0.00 4.70 0.00 2.36 2.50 0.00 3.77 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 72 R 9.34 4.31 0.00 1.78 2.01 0.00 3.12 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 73 M 7.83 5.10 0.00 1.95 1.86 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 2.68 2.57 0.00 74 E 9.23 4.92 0.00 2.11 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 2.21 2.29 0.00 75 V 8.39 4.40 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 0.74 0.00 0.00 1.02 0.00 0.00 76 R 8.75 4.53 0.00 1.90 1.92 0.00 3.22 0.00 0.00 3.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 77 S 8.72 4.60 0.00 4.27 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 78 R 8.84 4.77 0.00 2.40 2.07 0.00 3.35 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.86 0.00 79 R 8.66 4.66 0.00 1.83 2.11 0.00 3.05 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 80 V 7.31 4.23 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 0.34 0.00 0.00 0.62 0.00 0.00 81 G 7.88 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.03 3.30 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 0.00 83 A 6.78 4.21 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.74 4.96 0.00 2.68 2.80 0.00 0.00 6.69 7.46 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 85 Y 8.61 4.98 0.00 2.86 2.44 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 86 Q 9.22 4.10 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 87 V 8.36 4.29 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 0.96 0.00 0.00 1.30 0.00 0.00 88 P 0.00 4.78 0.00 2.06 2.15 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 89 M 8.97 4.77 0.00 1.69 1.76 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.10 0.00 90 E 8.69 4.37 0.00 1.82 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 2.28 2.27 0.00 91 V 7.62 4.29 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 0.71 0.00 0.00 0.96 0.00 0.00 92 S 8.85 4.13 0.00 3.90 3.74 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 93 P 0.00 4.18 0.00 2.29 2.31 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 94 R 8.01 3.80 0.00 1.93 1.97 0.00 3.21 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 95 R 7.61 3.81 0.00 1.91 2.00 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 96 Q 8.54 3.81 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.46 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 97 Q 8.05 3.88 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 98 S 7.88 4.02 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 99 L 8.12 3.13 0.00 1.07 0.13 0.71 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.30 4.02 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 0.00 101 L 8.40 4.10 0.00 1.74 1.97 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.17 3.86 0.00 1.78 1.82 0.00 3.03 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 1.78 1.68 0.00 103 W 8.62 4.57 0.00 3.66 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.41 4.10 0.00 2.23 2.03 0.80 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.99 3.58 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 0.95 0.00 0.00 0.63 0.00 0.00 106 Q 8.18 3.98 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 107 A 8.70 4.14 1.46 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 0.00 0.00 108 A 8.79 4.03 1.51 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 0.00 0.00 109 N 7.89 4.75 0.00 2.76 2.88 0.00 0.00 7.07 7.65 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 0.00 110 Q 8.16 4.29 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.90 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 111 R 6.83 4.16 0.00 2.06 2.31 0.00 3.30 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 112 P 0.00 4.36 0.00 2.19 2.18 0.00 3.83 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 2.01 1.96 0.00 113 E 8.19 3.88 0.00 2.10 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 0.00 2.32 2.30 0.00 114 R 8.59 4.15 0.00 1.95 2.09 0.00 3.00 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 115 R 7.65 4.45 0.00 1.86 1.87 0.00 3.17 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 116 A 8.18 3.73 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 0.00 117 A 8.09 3.95 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 0.00 118 V 7.93 3.40 2.21 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 0.84 0.00 0.00 0.90 0.00 0.00 119 R 8.00 3.93 0.00 2.09 2.25 0.00 3.40 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 120 I 7.96 3.82 2.02 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 1.60 0.63 1.40 0.00 0.00 121 A 8.16 4.01 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 0.00 122 H 8.99 4.19 0.00 3.23 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.60 3.98 0.00 2.24 2.22 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 2.58 2.48 0.00 124 L 8.39 3.95 0.00 1.96 1.75 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.37 4.04 0.00 2.04 2.30 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 2.90 2.64 0.00 126 D 8.58 4.39 0.00 2.99 2.87 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 0.00 127 A 8.74 4.15 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 0.00 128 A 8.52 4.03 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 0.00 129 E 7.77 4.20 0.00 2.04 2.16 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 2.28 2.31 0.00 130 G 8.80 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 0.00 131 K 8.39 4.55 0.00 1.90 1.93 0.00 1.27 0.00 0.00 1.64 0.00 0.00 3.41 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.29 1.46 7.81 132 G 8.94 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 0.00 133 G 8.95 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 0.00 134 A 8.28 3.90 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 0.00 135 V 7.84 3.53 2.21 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 1.16 0.00 0.00 0.98 0.00 0.00 136 K 7.81 3.80 0.00 1.82 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.42 7.81 137 K 7.80 3.69 0.00 1.27 0.75 0.00 1.45 0.00 0.00 1.12 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.22 7.81 138 K 7.33 3.49 0.00 1.92 1.98 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.29 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.57 1.80 7.81 139 E 8.28 3.91 0.00 2.08 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 2.30 2.63 0.00 140 D 8.74 4.33 0.00 2.68 2.64 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 0.00 141 V 7.86 3.54 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 1.27 0.00 0.00 0.93 0.00 0.00 142 E 8.19 4.07 0.00 2.20 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 2.35 2.38 0.00 143 R 8.81 3.83 0.00 1.79 1.95 0.00 3.09 0.00 0.00 3.13 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 144 M 8.19 4.03 0.00 2.04 2.25 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 2.76 2.58 0.00 145 A 8.08 3.85 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 0.00 146 E 8.86 3.94 0.00 1.96 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 2.26 2.44 0.00 147 A 8.60 4.10 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 0.00 148 N 7.75 4.64 0.00 2.68 2.66 0.00 0.00 6.44 7.69 0.00 0.00 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 R 7.67 3.79 0.00 2.00 1.83 0.00 3.04 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 150 A 7.55 3.90 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 0.00 151 Y 7.68 4.31 0.00 2.93 2.47 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 0.00 152 A 7.60 4.08 1.32 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 0.00 153 H 7.94 4.78 0.00 3.39 3.41 0.00 5.51 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.05 4.76 0.00 3.00 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 0.00 155 R 7.49 2.95 0.00 1.86 1.93 0.00 3.38 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 156 W 7.98 4.03 0.00 3.51 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00