NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.6572 8.0549 120.2711 61.2591 32.5372 174.5214 2 V 3.9114 7.8216 117.0799 58.7843 32.4943 173.9646 3 W 4.8822 8.3265 126.0659 56.1814 31.0477 177.0905 4 T 4.3835 9.0889 113.7840 61.2531 70.6125 175.6460 5 D 4.4032 8.7179 121.8325 57.6764 40.8147 178.7832 6 F 4.0895 8.3951 120.4843 61.4086 39.3341 176.8960 7 E 3.9491 8.2848 117.4922 59.5406 29.4927 179.5045 8 R 3.6041 8.0088 117.8250 59.0957 30.0150 179.0791 9 A 3.8833 7.9111 120.4202 55.3873 18.4048 179.7846 10 T 3.5561 7.6139 114.4005 66.6969 68.5469 177.0438 11 I 3.6877 7.5432 121.3930 64.3752 37.1139 178.4495 12 A 4.0002 7.7050 121.2569 54.8415 17.8950 179.1341 13 D 4.2089 8.0724 116.2176 57.5842 41.6226 178.0709 14 I 3.7309 8.1572 120.4642 64.7754 37.1972 178.5068 15 F 4.0764 8.2883 118.1657 60.3688 38.5513 177.7046 16 S 4.2911 8.3244 112.7508 60.3922 62.8077 175.6323 17 K 4.3052 7.8927 120.6779 55.6566 32.6577 176.0689 18 L 4.4213 7.1066 119.9470 53.0554 42.9868 176.2318 19 D 4.4566 8.5502 123.0228 54.0395 41.8777 176.3348 20 Y 4.4389 8.5891 125.9766 61.1095 37.8577 178.2297 21 E 4.1698 8.6001 120.8671 58.7815 30.0135 178.1204 22 A 3.9795 8.3165 120.6997 55.5407 18.4852 179.8268 23 V 3.6404 8.4249 116.6729 65.9463 31.6801 178.5641 24 G 3.9823 7.9352 107.4263 47.1470 0.0000 175.9100 25 G 3.6087 8.3911 108.2583 47.5655 0.0000 175.6398 26 A 4.0125 8.0677 123.6944 54.9379 18.2958 179.9454 27 T 3.7854 7.9656 114.1713 66.6782 68.6276 176.7221 28 L 3.8519 7.9611 121.9041 58.0642 42.1313 178.6267 29 A 3.9203 7.9990 120.7005 55.1762 18.2952 179.3846 30 R 3.7059 8.0256 117.0273 59.7668 30.0702 178.0368 31 C 4.0925 8.1488 118.2920 62.7946 31.5870 175.7093 32 L 3.9522 8.0242 119.8897 57.1147 40.8666 179.3139 33 I 3.8233 7.3178 119.1862 63.6766 37.5445 177.9259 34 V 3.5956 7.8813 118.3197 64.1768 32.8019 175.6838 35 Y 3.8289 7.5200 116.8260 54.2961 37.9033 174.1379 36 P 5.0605 0.0000 0.0000 64.2535 31.8560 178.3816 37 W 4.3989 7.8729 116.6854 59.3401 28.1799 177.9201 38 T 4.2742 7.4841 110.9446 64.7397 67.9818 176.1954 39 Q 4.1999 8.1668 121.2504 58.8687 28.4021 178.4486 40 R 3.8442 7.7660 119.2062 59.6959 30.0966 177.8430 41 Y 4.1063 7.5183 114.4383 59.3411 38.0465 176.2944 42 F 4.6813 8.0280 119.9555 56.5830 39.7317 177.5096 43 G 3.8034 8.4513 110.7932 47.9422 0.0000 174.3839 44 N 5.0828 8.2447 116.7790 53.6997 39.1110 175.2477 45 F 4.7295 8.5072 115.0499 57.0304 41.1670 176.2211 46 G 3.9979 8.1445 105.8439 44.0061 0.0000 174.9624 47 N 4.4815 8.6428 125.2765 53.7355 38.7753 174.4104 48 L 4.8486 8.5587 124.6524 55.0366 44.0648 175.5883 49 Y 4.7837 8.0070 113.4449 56.3490 39.8269 175.9716 50 N 4.1660 7.7139 117.9740 53.2572 41.0791 175.1700 51 A 3.9969 8.5885 127.2705 54.9492 18.7152 180.2018 52 A 3.9484 8.1763 118.5424 54.9114 18.1700 179.5178 53 A 3.9305 7.8637 118.3695 55.4240 18.9256 179.3772 54 I 3.8032 7.4703 118.0286 64.9735 37.0156 178.5397 55 M 4.1639 7.7943 118.0764 58.3328 31.9012 178.5502 56 G 3.8937 8.2466 103.7341 44.7926 0.0000 173.1873 57 N 4.5555 7.5884 121.3508 52.4821 39.4086 173.9561 58 P 4.3451 0.0000 0.0000 65.8982 31.3910 178.2938 59 M 3.9617 8.1473 117.8211 58.5344 32.1879 177.9868 60 I 3.7695 8.1856 119.8139 64.2765 37.2764 178.0883 61 A 3.9884 7.9604 121.5214 55.1417 18.2646 179.4490 62 K 3.8473 8.0214 117.9671 60.2003 32.2866 178.4986 63 H 4.4901 8.8684 118.7715 59.0124 29.6869 177.4590 64 G 3.6059 8.5221 108.2742 47.8324 0.0000 175.8260 65 T 3.9320 7.9520 118.0346 66.9183 68.5008 176.5209 66 T 3.9508 7.9881 117.5075 66.9568 68.4178 176.5128 67 I 3.6896 7.7111 121.3434 64.4966 37.1719 178.5585 68 L 3.9002 7.8162 119.2371 57.9838 41.4955 179.1729 69 H 4.3207 8.3338 116.5105 58.5081 28.4496 177.8442 70 G 3.7029 8.2834 107.7625 48.0326 0.0000 175.5883 71 L 4.1900 8.0792 123.1769 56.8627 41.5540 178.8829 72 D 4.0989 8.0546 117.9201 57.6421 40.8310 178.7108 73 R 3.9244 7.7404 116.5529 59.3140 30.2303 178.6037 74 A 4.0923 7.7978 120.1946 54.9397 18.1370 179.7534 75 V 3.2531 7.4563 115.9819 65.9064 31.6388 177.8002 76 K 4.2549 8.0294 115.3533 57.0475 33.1545 176.4805 77 N 5.1323 7.8303 117.0098 52.7079 39.3475 176.0613 78 M 4.1926 8.0451 117.7332 57.9072 32.5689 177.6170 79 D 5.0022 8.0640 116.2068 54.4658 41.9238 175.7527 80 N 5.1157 8.2415 119.2013 52.1424 39.7044 176.5777 81 I 3.5710 8.0929 119.9211 63.8348 37.1043 177.3253 82 K 3.7838 7.9446 118.7306 59.5961 32.4554 178.0893 83 A 4.1505 7.9409 120.2767 55.5826 18.1583 179.3943 84 T 3.9494 7.6468 112.7355 66.6975 68.6421 175.3704 85 Y 4.5021 8.2201 116.2890 57.7361 38.0537 177.0534 86 A 4.0469 7.7406 124.2041 55.5422 18.4555 180.2729 87 E 3.8818 8.0696 116.2707 59.5475 29.6957 179.2846 88 L 3.9891 7.8143 118.5418 57.7463 41.7442 179.3739 89 S 4.7377 8.3218 114.6652 60.9005 62.4289 176.1434 90 V 3.5228 7.5869 120.8090 66.0045 31.1727 177.4197 91 L 3.8702 8.2537 120.1536 58.8218 41.9682 178.6795 92 H 4.3250 8.4488 114.8947 58.3475 28.6777 175.8439 93 S 4.5479 8.0006 115.8871 59.7586 63.6030 175.7443 94 E 3.8024 8.1854 124.2974 59.1567 29.7053 179.0113 95 K 4.1989 7.7151 117.2919 58.2752 33.1218 177.2213 96 L 4.3352 7.8800 115.8099 54.5519 42.3805 176.1445 97 H 4.0972 7.9214 115.0741 56.2693 26.9284 175.4125 98 V 2.9191 7.4918 118.4363 62.3767 31.9685 174.9496 99 D 4.4145 8.2752 128.2018 53.3048 41.8381 175.3034 100 P 3.9483 0.0000 0.0000 65.5991 31.1776 178.0502 101 D 4.3938 8.2486 119.2356 57.8045 40.6337 178.6310 102 N 4.3032 7.9125 116.5506 56.0487 38.3204 177.4302 103 F 4.4050 7.4612 119.2637 60.5001 38.9095 177.7209 104 K 3.9975 8.1261 117.5876 59.4126 31.9414 179.1239 105 L 3.7820 7.7779 119.1426 57.6858 41.4379 179.3220 106 L 4.0326 8.0910 120.2147 58.3090 41.9692 179.0407 107 S 4.1857 8.3589 115.1767 61.8786 62.8234 176.4783 108 D 4.4625 8.5122 121.7123 57.5670 40.5762 178.5902 109 C 4.1514 8.2851 117.1526 62.8078 28.1241 175.8311 110 L 3.9898 8.3051 122.0938 58.6201 41.6748 178.9963 111 T 4.1057 8.2993 115.6459 67.0506 68.4739 176.6225 112 I 3.7754 7.9055 121.5261 64.1490 37.0814 178.7159 113 V 3.4737 7.8829 119.1922 65.8519 31.3965 178.2335 114 V 3.1825 7.8823 118.0464 65.8263 31.3184 177.5806 115 A 3.3574 7.6555 120.5236 55.0942 17.8984 179.4940 116 A 3.8821 7.5109 117.8725 55.1333 18.4916 179.4895 117 Q 3.9462 7.5924 116.9915 59.4639 29.0712 178.1895 118 L 4.1044 8.4042 119.9599 55.4011 42.0243 178.4650 119 G 3.8922 8.7001 108.2767 45.9051 0.0000 176.2746 120 K 3.7837 9.0250 122.5692 59.2470 32.0330 177.6171 121 A 4.1083 7.5902 120.1257 54.7306 18.6346 177.8775 122 F 4.4876 8.0311 120.1676 57.1285 37.7576 175.2401 123 S 4.6153 7.5837 121.2463 56.9198 66.0652 175.2441 124 G 3.5098 8.3903 107.3979 47.7952 0.0000 175.4920 125 E 3.9598 8.0968 120.5062 59.2256 29.5696 179.4308 126 V 3.6401 7.4757 118.1361 66.1672 31.5855 177.6069 127 Q 3.5448 7.7225 119.2819 59.1080 28.6986 178.3335 128 A 4.0697 8.3786 121.7663 55.2027 18.4455 179.5397 129 A 4.1855 8.0303 119.4411 55.1700 18.4234 179.6284 130 F 4.4326 8.5007 119.2873 61.7445 39.4534 177.2328 131 Q 4.0134 8.8694 119.6998 58.8550 28.8261 177.9109 132 K 3.9578 8.2948 120.8852 59.4766 32.2900 178.3521 133 F 4.5217 8.5814 120.8772 61.7197 39.3040 177.1794 134 L 3.7386 8.1802 118.4712 57.6793 41.2966 179.7531 135 S 4.1338 8.2701 115.6522 61.3205 62.7231 176.8514 136 V 3.4193 7.6958 121.0229 65.8389 31.3279 177.9255 137 V 3.0141 7.2941 117.9270 66.1242 31.3248 178.1131 138 V 3.3313 7.9683 118.0166 66.0122 31.1281 177.9530 139 S 4.0655 7.8040 111.7160 61.1096 62.2699 175.5586 140 A 4.1195 7.5970 122.3290 54.0474 18.5504 178.8121 141 L 4.2243 7.4448 117.0579 55.6161 41.8456 177.4617 142 G 4.1040 7.0312 106.8810 44.4080 0.0000 173.0192 143 K 3.8186 8.4422 120.7248 56.4663 32.5410 175.8824 144 Q 4.3264 8.2618 124.9477 55.1470 29.6204 175.1961 145 Y 4.4283 8.3710 119.4530 58.2699 39.2258 175.4598 146 H 4.5772 7.8745 121.4883 55.8836 29.6669 173.1579 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 1 V 8.05 3.66 1.62 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 0.52 0.00 0.00 -0.60 0.00 0.00 2 V 7.82 3.91 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 0.65 0.00 0.00 0.85 0.00 0.00 3 W 8.33 4.88 0.00 3.31 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 4 T 9.09 4.38 4.38 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 1.31 0.00 0.00 5 D 8.72 4.40 0.00 2.82 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 6 F 8.40 4.09 0.00 3.13 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 7 E 8.28 3.95 0.00 2.54 2.31 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 2.62 2.67 0.00 8 R 8.01 3.60 0.00 1.95 1.85 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.88 0.00 9 A 7.91 3.88 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 10 T 7.61 3.56 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 1.10 0.00 0.00 11 I 7.54 3.69 1.50 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 0.16 0.00 0.00 12 A 7.70 4.00 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 13 D 8.07 4.21 0.00 2.87 2.82 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 14 I 8.16 3.73 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 0.36 0.00 0.00 15 F 8.29 4.08 0.00 3.23 3.37 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 16 S 8.32 4.29 0.00 4.01 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 17 K 7.89 4.31 0.00 1.89 1.82 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.46 7.81 18 L 7.11 4.42 0.00 1.83 1.63 0.39 0.83 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 19 D 8.55 4.46 0.00 2.70 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 20 Y 8.59 4.44 0.00 2.96 2.84 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 21 E 8.60 4.17 0.00 2.10 2.14 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 2.40 2.27 0.00 22 A 8.32 3.98 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 23 V 8.42 3.64 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 0.95 0.00 0.00 0.93 0.00 0.00 24 G 7.94 3.98 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 0.00 0.00 0.00 25 G 8.39 3.61 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 0.00 0.00 0.00 26 A 8.07 4.01 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 27 T 7.97 3.79 4.40 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 1.27 0.00 0.00 28 L 7.96 3.85 0.00 1.71 1.59 0.63 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.00 3.92 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 30 R 8.03 3.71 0.00 2.08 2.13 0.00 3.10 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 C 8.15 4.09 0.00 3.08 3.06 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 32 L 8.02 3.95 0.00 1.67 1.65 0.69 0.67 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 33 I 7.32 3.82 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.49 0.82 0.00 0.00 34 V 7.88 3.60 1.62 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 -0.14 0.00 0.00 0.78 0.00 0.00 35 Y 7.52 3.83 0.00 2.59 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 36 P 0.00 5.06 0.00 2.32 2.29 0.00 3.57 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.86 0.00 37 W 7.87 4.40 0.00 3.63 3.60 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 38 T 7.48 4.27 4.43 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 1.18 0.00 0.00 39 Q 8.17 4.20 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 40 R 7.77 3.84 0.00 1.72 1.56 0.00 3.14 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 41 Y 7.52 4.11 0.00 2.72 2.46 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 42 F 8.03 4.68 0.00 2.76 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 0.00 0.00 0.00 43 G 8.45 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 0.00 0.00 0.00 44 N 8.24 5.08 0.00 2.90 2.91 0.00 0.00 6.74 7.45 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 45 F 8.51 4.73 0.00 3.12 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 46 G 8.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 4.48 0.00 2.74 2.81 0.00 0.00 6.49 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.56 4.85 0.00 1.90 1.65 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.01 4.78 0.00 3.10 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 50 N 7.71 4.17 0.00 2.56 2.63 0.00 0.00 7.13 7.83 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 51 A 8.59 4.00 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 52 A 8.18 3.95 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 53 A 7.86 3.93 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 54 I 7.47 3.80 1.84 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 1.53 1.06 0.87 0.00 0.00 55 M 7.79 4.16 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 56 G 8.25 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 57 N 7.59 4.56 0.00 3.02 2.85 0.00 0.00 6.81 7.45 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 58 P 0.00 4.35 0.00 2.30 2.29 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 59 M 8.15 3.96 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.71 0.00 60 I 8.19 3.77 2.05 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 1.35 0.69 0.85 0.00 0.00 61 A 7.96 3.99 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 62 K 8.02 3.85 0.00 1.85 2.03 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.62 7.81 63 H 8.87 4.49 0.00 3.75 3.46 0.00 5.84 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 64 G 8.52 3.61 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 0.00 0.00 0.00 65 T 7.95 3.93 4.45 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 1.37 0.00 0.00 66 T 7.99 3.95 4.38 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 1.26 0.00 0.00 67 I 7.71 3.69 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 1.55 0.63 0.95 0.00 0.00 68 L 7.82 3.90 0.00 1.64 0.99 0.79 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.33 4.32 0.00 3.31 3.41 0.00 5.83 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 70 G 8.28 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 0.00 0.00 0.00 71 L 8.08 4.19 0.00 1.95 1.89 1.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.05 4.10 0.00 2.93 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 73 R 7.74 3.92 0.00 2.17 2.11 0.00 3.31 0.00 0.00 3.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 74 A 7.80 4.09 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 75 V 7.46 3.25 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 0.61 0.00 0.00 -0.35 0.00 0.00 76 K 8.03 4.25 0.00 1.75 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.53 1.62 7.81 77 N 7.83 5.13 0.00 2.76 2.72 0.00 0.00 6.91 8.98 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 78 M 8.05 4.19 0.00 1.44 1.86 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.22 0.00 79 D 8.06 5.00 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.24 5.12 0.00 2.75 2.69 0.00 0.00 7.16 7.27 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 81 I 8.09 3.57 1.74 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 1.38 0.57 0.27 0.00 0.00 82 K 7.94 3.78 0.00 1.70 1.82 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.60 7.81 83 A 7.94 4.15 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 84 T 7.65 3.95 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 1.39 0.00 0.00 85 Y 8.22 4.50 0.00 2.99 2.84 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 86 A 7.74 4.05 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 87 E 8.07 3.88 0.00 1.97 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 2.39 2.33 0.00 88 L 7.81 3.99 0.00 1.49 1.49 0.20 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 89 S 8.32 4.74 0.00 4.05 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 90 V 7.59 3.52 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 0.91 0.00 0.00 0.95 0.00 0.00 91 L 8.25 3.87 0.00 1.77 1.87 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.45 4.32 0.00 3.38 3.59 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.00 4.55 0.00 3.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.19 3.80 0.00 2.07 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 2.32 2.27 0.00 95 K 7.72 4.20 0.00 1.71 1.97 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.50 7.81 96 L 7.88 4.34 0.00 1.58 1.63 0.71 1.00 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 97 H 7.92 4.10 0.00 3.27 3.38 0.00 5.86 0.00 0.00 0.00 0.00 8.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.49 2.92 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 -0.17 0.00 0.00 0.48 0.00 0.00 99 D 8.28 4.41 0.00 2.71 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 0.00 0.00 0.00 0.00 100 P 0.00 3.95 0.00 2.41 2.47 0.00 3.76 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 2.09 2.13 0.00 101 D 8.25 4.39 0.00 2.81 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 0.00 102 N 7.91 4.30 0.00 2.38 2.67 0.00 0.00 6.97 8.14 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 0.00 103 F 7.46 4.41 0.00 3.19 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 0.00 104 K 8.13 4.00 0.00 1.91 1.88 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.52 7.81 105 L 7.78 3.78 0.00 1.62 1.07 0.75 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.09 4.03 0.00 1.86 1.91 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.36 4.19 0.00 4.12 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 0.00 108 D 8.51 4.46 0.00 2.93 2.84 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 0.00 109 C 8.29 4.15 0.00 3.24 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 0.00 110 L 8.31 3.99 0.00 1.82 1.97 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.30 4.11 4.59 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 1.52 0.00 0.00 112 I 7.91 3.78 2.00 0.00 0.00 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 1.44 0.82 0.90 0.00 0.00 113 V 7.88 3.47 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 0.93 0.00 0.00 0.93 0.00 0.00 114 V 7.88 3.18 1.68 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 -0.08 0.00 0.00 0.68 0.00 0.00 115 A 7.66 3.36 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 0.00 116 A 7.51 3.88 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 0.00 117 Q 7.59 3.95 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 118 L 8.40 4.10 0.00 1.65 1.71 0.87 0.95 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 0.00 119 G 8.70 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 0.00 120 K 9.03 3.78 0.00 1.72 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 121 A 7.59 4.11 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 0.00 122 F 8.03 4.49 0.00 2.84 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 0.00 123 S 7.58 4.62 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.39 3.51 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 0.00 125 E 8.10 3.96 0.00 2.01 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 2.28 2.28 0.00 126 V 7.48 3.64 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 0.85 0.00 0.00 1.07 0.00 0.00 127 Q 7.72 3.54 0.00 1.42 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 128 A 8.38 4.07 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 0.00 129 A 8.03 4.19 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 0.00 130 F 8.50 4.43 0.00 3.34 3.44 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 0.00 131 Q 8.87 4.01 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 132 K 8.29 3.96 0.00 2.12 2.26 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.27 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.41 7.81 133 F 8.58 4.52 0.00 3.22 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 8.18 3.74 0.00 1.77 1.61 0.71 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.27 4.13 0.00 3.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.70 3.42 2.18 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 0.94 0.00 0.00 0.83 0.00 0.00 137 V 7.29 3.01 1.79 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 0.83 0.00 0.00 -0.06 0.00 0.00 138 V 7.97 3.33 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 0.98 0.00 0.00 0.96 0.00 0.00 139 S 7.80 4.07 0.00 3.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.60 4.12 1.16 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 0.00 0.00 141 L 7.44 4.22 0.00 1.40 0.57 0.57 0.60 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 0.00 142 G 7.03 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 0.00 0.00 0.00 143 K 8.44 3.82 0.00 1.65 1.59 0.00 1.46 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.86 1.24 7.81 144 Q 8.26 4.33 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 145 Y 8.37 4.43 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.87 4.58 0.00 3.13 3.16 0.00 5.73 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