NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8195 8.3544 109.7180 44.8759 0.0000 174.0473 4 D 4.1932 8.3871 122.8497 53.2747 42.6849 175.7820 5 K 3.9704 9.4031 128.4233 59.4825 32.8460 178.7873 6 K 4.1142 8.5485 118.9422 58.8437 31.8261 179.5611 7 V 3.6471 7.9345 118.4015 66.2548 31.6154 177.9314 8 I 3.6789 7.5159 119.4232 64.5422 36.9211 178.4908 9 Q 4.0146 7.7724 119.1300 58.8971 28.4514 178.2100 10 H 4.1329 8.1351 117.2621 58.9521 28.7908 177.5744 11 L 4.0099 8.5815 121.0410 58.2599 41.6530 179.5592 12 N 4.5175 8.3097 115.7639 55.4946 38.3980 177.5826 13 K 3.9419 7.7794 121.0961 59.3281 32.3568 178.7072 14 I 3.6520 8.0668 120.4590 64.4521 37.0541 177.7768 15 L 3.9987 8.3263 121.5888 58.4625 41.8877 179.2854 16 G 3.6291 7.8888 104.7804 47.9598 0.0000 174.8828 17 N 4.2536 8.1226 119.0135 56.4885 38.5824 177.0809 18 E 3.9397 8.3993 119.4398 59.6113 29.0821 179.5989 19 L 3.9547 8.1113 118.9093 57.7054 41.6187 179.5710 20 I 3.6104 7.6165 119.1526 64.4679 37.0249 178.3998 21 A 3.2787 8.0519 121.6876 54.6683 18.0595 179.6635 22 I 3.6192 7.9025 118.7518 64.7658 37.2128 178.4576 23 N 4.3537 7.6913 116.3876 56.1729 38.2797 177.3593 24 Q 3.8224 8.2509 121.3353 59.5616 29.1907 178.0574 25 Y 4.7195 7.9623 119.3800 60.4451 37.8499 178.1859 26 F 3.8586 8.5041 121.7964 61.0733 39.5292 176.9543 27 L 3.9975 8.2538 120.0533 58.5371 41.8394 178.5394 28 H 3.8209 8.4000 116.3756 58.7489 28.6183 177.3681 29 S 4.2826 8.5110 115.2708 61.9618 62.0971 176.7641 30 R 3.9385 7.8604 120.0917 58.9217 29.7254 179.0881 31 M 3.4253 7.8253 118.8964 58.0449 31.9112 178.7413 32 W 4.5544 7.9012 119.0797 59.8322 29.1087 178.4818 33 N 4.3942 8.2406 116.5480 56.3290 37.8023 176.6278 34 D 4.3509 7.9855 118.5508 57.4652 41.2892 178.2016 35 W 4.7904 7.9329 116.8864 57.7042 29.2066 177.3373 36 G 4.0412 8.5804 108.0548 45.6779 0.0000 173.9043 37 L 4.8362 7.9632 122.1941 53.5290 38.5665 177.3016 38 K 4.1135 8.3568 121.7203 58.7702 32.5724 178.8314 39 R 4.0254 7.7860 119.0774 58.7007 29.8764 178.4587 40 L 3.8819 7.7260 118.7589 57.3123 41.6248 178.8933 41 G 3.9618 8.1896 105.5552 48.1679 0.0000 175.4403 42 A 3.9470 8.3701 124.0952 54.9019 18.4306 179.1892 43 H 4.0253 8.0950 116.3736 59.3831 29.3996 177.1713 44 E 4.0494 8.6520 121.4724 59.1197 29.4567 177.9114 45 Y 3.9907 8.2986 120.0097 61.2684 38.7613 178.1501 46 H 4.1704 8.1382 116.6191 58.6233 28.7354 177.6481 47 E 3.7900 8.1380 120.5606 59.3232 29.2866 179.1176 48 S 4.2978 8.3263 113.2933 61.6252 62.5548 176.1725 49 I 3.5390 7.8000 122.5892 64.6984 36.8414 177.8775 50 D 4.3267 8.3081 119.8462 57.7355 40.5309 179.1649 51 E 4.0680 8.0313 118.2565 59.3533 29.4920 178.7214 52 M 3.9492 7.9211 118.8165 58.8136 32.0976 179.1295 53 K 3.9730 7.8814 117.6332 59.5962 32.1787 179.2265 54 H 4.2658 8.0138 115.9615 58.7373 28.5655 177.3826 55 A 3.9747 8.3159 122.9503 55.3589 18.1253 178.8271 56 D 4.2916 8.2796 116.3496 57.8121 41.3872 178.7068 57 K 3.8875 8.1143 118.5563 59.5745 32.0225 179.3666 58 L 4.0106 7.9422 119.0188 57.8516 41.6225 179.3757 59 I 3.7232 7.9940 119.9990 64.6513 37.0621 178.3082 60 E 4.0225 8.4644 119.4318 59.3568 29.1713 179.4934 61 R 4.0268 7.9553 118.2864 59.4224 29.9613 178.6033 62 I 3.6982 7.7049 118.3715 64.5160 37.4877 177.7515 63 L 4.1101 7.9542 119.7266 58.2575 41.2805 179.6738 64 F 4.4416 7.9902 119.2087 61.0098 39.5922 176.2094 65 L 3.9697 8.1492 117.6558 54.1471 41.3740 177.3001 66 E 3.5826 7.6920 115.6434 56.9853 27.8368 175.0174 67 G 3.8191 7.6914 108.0903 44.9263 0.0000 173.2917 68 L 4.5563 7.9993 119.0062 51.9388 42.5882 175.2591 69 P 4.3399 0.0000 0.0000 62.5887 31.6628 176.1730 70 N 4.6264 9.5389 123.2474 52.5142 37.7402 173.9127 71 L 4.5741 8.1279 122.6556 54.3266 42.4225 177.6435 72 Q 3.9997 8.2321 122.0087 58.3120 29.1875 175.6895 73 D 4.5859 8.0806 118.2670 52.8714 41.0031 175.3025 74 L 4.4673 8.2806 127.0773 52.8732 43.2529 177.3822 75 G 3.8292 8.3685 116.1111 45.2474 0.0000 171.1062 76 K 4.2860 8.3354 120.7840 54.9172 32.9809 177.5735 77 L 4.1823 8.3614 126.1226 54.9192 42.2032 177.1762 78 L 4.5171 8.1303 121.8827 53.0127 41.2306 174.4969 79 I 4.1365 7.8681 121.4810 59.5427 37.3755 176.4223 80 G 3.9372 8.6912 115.0911 45.2285 0.0000 171.6123 81 E 4.7162 8.5572 116.8193 55.0371 31.3688 174.6923 82 N 5.0270 7.7560 114.8033 50.8807 41.6646 175.0445 83 T 4.4323 8.6303 116.3958 67.2160 68.5473 176.1591 84 Q 3.9494 8.3204 120.7222 59.4939 28.8487 178.3456 85 E 3.9488 8.6101 119.9247 59.3832 29.7490 178.2857 86 M 3.8816 8.4353 119.2416 58.5038 31.9398 178.5442 87 L 4.1419 8.3801 118.9728 58.1092 41.8758 179.3044 88 Q 3.9686 8.0646 119.1593 59.4916 28.8448 178.1034 89 C 4.0977 8.4692 117.8474 63.2557 28.2970 175.6455 90 D 4.7246 8.3649 120.1507 57.6953 40.4801 179.1159 91 L 3.9740 8.2113 120.6305 58.2261 42.0833 178.6022 92 N 4.3215 8.6050 116.8874 56.3844 38.5063 176.9871 93 L 3.9882 8.3194 121.8541 58.4404 42.1701 178.9563 94 E 4.1674 8.3835 118.3565 58.9776 29.5235 179.2278 95 L 3.9631 8.5198 119.6234 57.7535 41.8881 179.2746 96 K 3.8968 8.4206 119.6245 59.6775 32.1052 178.6041 97 A 4.0909 8.1189 120.9046 55.1421 18.1071 179.5953 98 T 3.8400 7.7118 113.7082 66.6667 68.9238 176.2928 99 K 4.0840 7.8284 120.7884 59.8325 32.3403 178.5842 100 D 4.4295 7.9919 118.6051 57.4028 40.7525 178.8728 101 L 4.0503 8.0104 119.5302 57.7922 41.5661 179.7538 102 R 4.0155 7.8977 117.9633 58.9831 30.0397 178.8997 103 E 3.9324 8.1176 117.8353 59.3092 29.5181 178.8678 104 A 3.5746 7.9462 120.7581 55.2547 18.5132 179.8213 105 I 3.6751 7.6825 118.0525 64.2549 37.2517 178.7864 106 V 3.5662 7.7958 119.1631 66.3665 31.5026 177.4936 107 H 4.0433 8.2248 117.8436 59.4857 29.5736 176.9145 108 C 4.0726 8.4229 118.8542 62.8530 27.5785 175.7592 109 E 3.9152 8.0839 120.5190 59.1877 28.9459 178.6729 110 Q 3.9683 7.7007 118.6164 58.6131 29.2575 177.4552 111 V 3.8025 7.1550 109.7807 61.0660 31.8708 176.3024 112 H 3.1474 7.2089 114.5561 56.4516 26.9180 176.4866 113 D 4.5151 7.5908 121.3017 53.6024 37.6318 176.2683 114 Y 4.3733 7.3258 120.8271 60.2015 38.4491 178.0160 115 V 3.6347 7.7904 119.2413 66.2614 32.0451 178.0723 116 S 4.2012 8.3912 114.7564 61.3520 62.5474 176.8972 117 R 3.8767 7.8711 121.2449 59.3793 29.9158 177.9605 118 D 4.2926 7.8150 117.7068 57.3508 41.2851 177.6158 119 L 3.9575 7.9991 120.7945 58.5058 41.9669 179.1327 120 L 3.9952 7.8867 118.3104 57.6348 41.5980 179.2257 121 K 3.9780 8.5520 120.0196 59.5664 31.9877 178.6618 122 D 4.2924 8.2180 119.0407 57.4689 40.8801 178.4578 123 I 3.4777 7.6559 120.3129 64.3428 37.0711 178.0823 124 L 3.9224 8.4510 121.0791 58.3396 41.9787 178.5710 125 E 3.9904 8.1736 119.1525 59.4689 29.4513 178.8187 126 S 4.1830 8.0043 112.8354 61.2955 62.3829 175.9883 127 E 4.1741 8.3412 121.4451 59.4523 29.0759 179.1382 128 E 4.0103 8.9688 118.9217 59.2477 29.4216 179.2756 129 E 4.0682 8.0484 118.6258 59.4062 29.5946 178.5715 130 H 4.3211 8.3223 118.3671 59.4204 29.9545 177.2044 131 I 3.7198 8.1538 121.9080 64.5796 36.9092 177.8501 132 D 4.3730 8.0060 118.8249 57.3518 40.9939 177.6225 133 Y 4.1130 8.1070 120.0126 60.8265 38.7783 177.7601 134 L 3.6855 8.0674 119.7035 57.9392 41.7876 179.2788 135 E 3.8822 8.6541 118.3520 59.8159 29.4738 179.5659 136 T 3.7895 7.9105 115.5495 66.8845 68.5656 176.5426 137 Q 3.8415 8.0251 119.9868 58.7706 28.3692 178.7533 138 L 3.8390 7.9035 120.2170 57.9431 41.5965 179.8285 139 G 3.7431 8.4764 105.6236 47.9335 0.0000 175.5572 140 L 4.0700 7.9160 120.9778 57.3985 41.6762 179.3815 141 I 3.5241 7.3907 119.9487 64.2403 36.6917 178.4061 142 Q 3.9189 7.3609 116.6273 59.0913 28.6897 178.7918 143 K 4.1621 7.6334 118.0169 58.5139 32.2808 178.9101 144 V 4.2526 8.1602 110.0673 59.7202 33.2601 177.0722 145 G 4.1134 7.6127 104.5367 45.7857 0.0000 174.4756 146 L 3.8883 8.4474 121.8508 58.0357 42.1437 179.1198 147 E 3.9607 8.1772 117.9127 59.7755 29.4524 178.7855 148 N 4.2648 8.3062 115.7433 56.7485 38.3295 176.6839 149 Y 3.9854 7.7763 119.6784 60.7016 39.2560 177.4983 150 L 4.1000 8.2767 120.0521 57.6783 41.7868 179.1578 151 Q 3.9315 8.3561 119.7854 59.4366 28.8639 178.5021 152 S 4.3532 7.9967 113.0804 60.1538 62.8581 174.4446 153 H 4.6990 7.7827 118.9719 55.7016 29.6018 175.9376 154 M 4.1749 8.0110 121.1014 57.5979 31.9960 176.2955 155 H 5.0095 7.6271 113.4652 53.9476 31.1115 174.6237 156 E 4.1535 8.6217 120.5580 56.7777 29.4183 176.7437 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 G 8.35 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 4 D 8.39 4.19 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.40 3.97 0.00 1.84 1.76 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 6 K 8.55 4.11 0.00 1.77 1.50 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.50 7.81 7 V 7.93 3.65 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 0.99 0.00 0.00 8 I 7.52 3.68 2.00 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 1.51 0.85 0.90 0.00 0.00 9 Q 7.77 4.01 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 10 H 8.14 4.13 0.00 3.39 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.58 4.01 0.00 1.80 1.75 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.31 4.52 0.00 2.97 2.85 0.00 0.00 6.70 6.40 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 13 K 7.78 3.94 0.00 1.97 1.96 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.07 3.65 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.70 0.92 0.00 0.00 15 L 8.33 4.00 0.00 1.78 1.92 0.92 0.94 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 16 G 7.89 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.12 4.25 0.00 2.93 2.90 0.00 0.00 7.06 7.43 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 18 E 8.40 3.94 0.00 2.10 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 0.00 2.54 2.55 0.00 19 L 8.11 3.95 0.00 1.83 1.68 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.62 3.61 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.86 0.00 0.00 21 A 8.05 3.28 0.93 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 0.00 0.00 22 I 7.90 3.62 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 1.55 0.93 0.87 0.00 0.00 23 N 7.69 4.35 0.00 2.90 2.82 0.00 0.00 6.74 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 24 Q 8.25 3.82 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 25 Y 7.96 4.72 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.50 3.86 0.00 3.35 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 27 L 8.25 4.00 0.00 1.83 1.67 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.40 3.82 0.00 3.51 2.96 0.00 5.71 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 29 S 8.51 4.28 0.00 3.99 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 30 R 7.86 3.94 0.00 1.91 1.89 0.00 3.02 0.00 0.00 2.86 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 31 M 7.83 3.43 0.00 0.79 1.57 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.20 0.00 32 W 7.90 4.55 0.00 3.57 3.31 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 33 N 8.24 4.39 0.00 2.89 2.85 0.00 0.00 6.56 8.10 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 34 D 7.99 4.35 0.00 2.57 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 35 W 7.93 4.79 0.00 3.73 3.15 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 36 G 8.58 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 0.00 0.00 0.00 37 L 7.96 4.84 0.00 2.12 1.62 1.31 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.36 4.11 0.00 1.93 1.86 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.63 7.81 39 R 7.79 4.03 0.00 1.85 1.83 0.00 3.13 0.00 0.00 2.93 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 40 L 7.73 3.88 0.00 1.32 0.33 0.32 0.17 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 41 G 8.19 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 42 A 8.37 3.95 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 43 H 8.09 4.03 0.00 3.33 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.65 4.05 0.00 2.58 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 2.74 2.74 0.00 45 Y 8.30 3.99 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.14 4.17 0.00 3.33 3.25 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.14 3.79 0.00 1.98 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 0.00 2.23 2.06 0.00 48 S 8.33 4.30 0.00 4.13 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 49 I 7.80 3.54 1.85 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.40 0.84 0.00 0.00 50 D 8.31 4.33 0.00 2.98 2.67 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 51 E 8.03 4.07 0.00 2.17 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 2.73 2.77 0.00 52 M 7.92 3.95 0.00 2.05 2.26 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 2.88 2.59 0.00 53 K 7.88 3.97 0.00 1.87 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 54 H 8.01 4.27 0.00 3.41 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.32 3.97 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 56 D 8.28 4.29 0.00 2.87 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 57 K 8.11 3.89 0.00 2.01 1.89 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.68 7.81 58 L 7.94 4.01 0.00 1.90 1.73 0.95 0.75 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 59 I 7.99 3.72 2.05 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 1.53 1.07 0.92 0.00 0.00 60 E 8.46 4.02 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 61 R 7.96 4.03 0.00 2.11 2.16 0.00 3.42 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 62 I 7.70 3.70 2.02 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 0.77 0.97 0.00 0.00 63 L 7.95 4.11 0.00 2.10 1.82 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.99 4.44 0.00 3.02 3.33 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 65 L 8.15 3.97 0.00 1.76 1.53 0.93 0.74 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 66 E 7.69 3.58 0.00 2.00 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 2.20 2.17 0.00 67 G 7.69 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 68 L 8.00 4.56 0.00 1.61 1.60 0.91 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 69 P 0.00 4.34 0.00 2.04 2.00 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.54 4.63 0.00 2.68 2.78 0.00 0.00 7.15 8.42 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 71 L 8.13 4.57 0.00 1.62 1.64 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.23 4.00 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 73 D 8.08 4.59 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.28 4.47 0.00 1.54 1.54 0.88 1.06 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 75 G 8.37 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 76 K 8.34 4.29 0.00 1.69 1.71 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.50 7.81 77 L 8.36 4.18 0.00 1.63 1.55 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.13 4.52 0.00 1.78 1.63 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.87 4.14 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.91 0.00 0.00 80 G 8.69 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.56 4.72 0.00 1.93 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 2.20 2.32 0.00 82 N 7.76 5.03 0.00 2.90 2.79 0.00 0.00 6.27 7.22 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 83 T 8.63 4.43 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 1.50 0.00 0.00 84 Q 8.32 3.95 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 85 E 8.61 3.95 0.00 2.31 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 2.33 2.37 0.00 86 M 8.44 3.88 0.00 1.34 2.19 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.15 0.00 87 L 8.38 4.14 0.00 1.87 1.73 0.80 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.06 3.97 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 89 C 8.47 4.10 0.00 3.30 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 90 D 8.36 4.72 0.00 3.01 2.85 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 91 L 8.21 3.97 0.00 1.84 1.90 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.61 4.32 0.00 2.91 2.89 0.00 0.00 6.71 6.53 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 93 L 8.32 3.99 0.00 1.94 1.99 0.92 0.95 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 94 E 8.38 4.17 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 95 L 8.52 3.96 0.00 1.81 1.74 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.42 3.90 0.00 1.86 2.08 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 97 A 8.12 4.09 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 98 T 7.71 3.84 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 99 K 7.83 4.08 0.00 1.87 1.94 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 7.99 4.43 0.00 2.93 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 0.00 101 L 8.01 4.05 0.00 1.97 1.73 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.90 4.02 0.00 2.12 1.98 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 103 E 8.12 3.93 0.00 2.15 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 2.42 2.39 0.00 104 A 7.95 3.57 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 3.68 2.01 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 1.27 0.93 0.00 0.00 106 V 7.80 3.57 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 1.00 0.00 0.00 0.99 0.00 0.00 107 H 8.22 4.04 0.00 3.31 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.42 4.07 0.00 3.13 3.13 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 0.00 109 E 8.08 3.92 0.00 2.19 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 0.00 2.37 2.44 0.00 110 Q 7.70 3.97 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 111 V 7.16 3.80 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 0.77 0.00 0.00 0.88 0.00 0.00 112 H 7.21 3.15 0.00 3.15 3.23 0.00 5.67 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 0.00 113 D 7.59 4.52 0.00 2.61 2.48 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 0.00 114 Y 7.33 4.37 0.00 3.11 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 0.00 115 V 7.79 3.63 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 1.12 0.00 0.00 1.01 0.00 0.00 116 S 8.39 4.20 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.87 3.88 0.00 2.05 2.24 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 118 D 7.81 4.29 0.00 3.05 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 3.96 0.00 1.91 1.85 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.89 4.00 0.00 1.97 1.70 0.96 0.70 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 0.00 121 K 8.55 3.98 0.00 2.10 1.93 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.36 7.81 122 D 8.22 4.29 0.00 2.91 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 0.00 123 I 7.66 3.48 1.97 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 1.16 0.87 0.84 0.00 0.00 124 L 8.45 3.92 0.00 1.79 1.91 0.94 0.85 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 0.00 125 E 8.17 3.99 0.00 2.11 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 2.33 2.35 0.00 126 S 8.00 4.18 0.00 3.99 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 0.00 127 E 8.34 4.17 0.00 2.17 2.34 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 2.65 2.53 0.00 128 E 8.97 4.01 0.00 2.11 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 0.00 2.36 2.38 0.00 129 E 8.05 4.07 0.00 2.27 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 0.00 2.36 2.47 0.00 130 H 8.32 4.32 0.00 3.26 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.15 3.72 2.08 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 1.44 0.53 0.93 0.00 0.00 132 D 8.01 4.37 0.00 2.78 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 0.00 133 Y 8.11 4.11 0.00 3.18 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 0.00 134 L 8.07 3.69 0.00 2.05 1.66 0.96 0.61 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 0.00 135 E 8.65 3.88 0.00 2.09 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 2.31 2.34 0.00 136 T 7.91 3.79 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 1.20 0.00 0.00 137 Q 8.03 3.84 0.00 1.76 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 1.36 1.81 0.00 138 L 7.90 3.84 0.00 1.90 1.63 0.81 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.48 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 0.00 0.00 0.00 140 L 7.92 4.07 0.00 1.87 1.85 1.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.39 3.52 1.79 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 0.78 -0.13 0.78 0.00 0.00 142 Q 7.36 3.92 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 143 K 7.63 4.16 0.00 1.69 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.73 7.81 144 V 8.16 4.25 2.12 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 0.79 0.00 0.00 1.09 0.00 0.00 145 G 7.61 4.11 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 0.00 0.00 0.00 146 L 8.45 3.89 0.00 1.75 1.67 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.18 3.96 0.00 2.06 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 2.40 2.41 0.00 148 N 8.31 4.26 0.00 3.15 2.92 0.00 0.00 6.67 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 0.00 149 Y 7.78 3.99 0.00 3.01 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 L 8.28 4.10 0.00 1.88 1.74 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.36 3.93 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 152 S 8.00 4.35 0.00 3.84 3.70 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 0.00 153 H 7.78 4.70 0.00 2.92 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.01 4.17 0.00 1.88 1.95 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 2.73 2.43 0.00 155 H 7.63 5.01 0.00 3.09 3.15 0.00 5.71 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 0.00 156 E 8.62 4.15 0.00 1.95 1.84 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 2.30 2.29 0.00