NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4852 8.3049 120.3258 54.9220 33.4460 175.3083 2 S 4.0342 8.8403 118.6478 59.9372 63.1339 171.3406 3 E 4.5866 8.1346 121.1840 53.4559 32.3671 174.8149 4 A 4.0506 8.5351 128.4583 51.7063 18.9198 175.7119 5 P 4.3977 0.0000 0.0000 62.3238 32.2222 175.5606 6 K 4.4911 8.3758 121.3259 54.4895 34.2586 175.1016 7 K 4.4230 8.4293 125.3556 55.2412 33.5828 176.1042 8 R 4.5625 7.7948 121.5605 54.0092 32.8935 174.4640 9 W 4.7294 8.3189 120.9135 55.7560 31.0765 174.9874 10 Y 5.3503 9.1851 121.5887 56.3380 41.2727 174.7255 11 V 4.8095 8.6869 121.6275 61.7142 34.1084 174.4883 12 V 4.0317 8.8166 126.8005 60.9314 34.3562 173.7522 13 Q 4.8124 8.3659 128.9786 54.7873 30.5596 174.1761 14 A 4.8072 8.6503 126.7159 49.9279 23.3293 175.2948 15 F 4.4030 8.6261 117.7557 57.1087 39.8248 175.8997 16 S 4.4720 8.6657 118.6822 59.6031 63.5989 173.9296 17 G 3.8541 9.0509 110.3827 45.5741 0.0000 174.7555 18 F 4.6849 7.7827 115.4426 56.8904 39.4975 176.8913 19 E 4.0961 7.8872 120.9619 59.4119 29.1315 179.0983 20 G 3.5658 7.9885 105.0286 47.8793 0.0000 175.5406 21 R 3.9357 8.0053 121.2555 58.8746 30.0778 178.2623 22 V 3.5886 8.6010 118.2945 66.1789 30.9239 177.8416 23 A 3.9965 7.8054 120.2520 55.5801 18.0929 179.7145 24 T 3.8487 7.6006 114.1120 66.8772 68.3947 176.9568 25 S 4.0649 8.2782 117.1383 61.4666 62.7377 176.6139 26 L 3.8699 7.6609 121.3656 57.8774 41.3672 179.4408 27 R 3.6519 7.4618 117.2891 59.5237 29.9030 178.2979 28 E 3.8503 7.7305 118.1868 59.6706 29.5401 178.8637 29 H 4.1765 8.1114 116.2406 59.0615 28.7868 177.9796 30 I 3.7135 8.3769 122.3066 64.2655 36.9972 178.3159 31 K 3.8884 8.4083 120.6621 59.5203 31.7698 178.7339 32 L 3.9470 8.2289 118.0841 58.0889 41.7075 178.5251 33 H 4.5347 8.4475 112.7270 54.7650 29.3479 174.6239 34 N 4.1493 7.7683 118.2888 55.1406 37.7645 174.7290 35 M 4.5608 8.8194 115.8017 55.4253 32.5443 177.1536 36 E 4.1395 8.2440 120.7181 59.8006 29.3574 178.5906 37 D 4.3674 8.2111 117.5025 57.3709 41.1797 178.1174 38 L 4.0400 8.0311 119.0771 57.6186 41.9095 177.4852 39 F 4.5265 7.7921 116.6553 57.5956 39.0750 174.1899 40 G 3.9183 8.8137 112.6495 47.0507 0.0000 173.2671 41 E 4.8381 7.4324 123.3953 53.7787 32.7986 174.0080 42 V 4.6249 8.6680 126.9203 61.3552 33.1125 175.2507 43 M 4.8649 9.6638 122.9647 53.8868 35.0095 176.3133 44 V 4.4485 8.1953 120.8521 60.4824 33.4790 173.8726 45 P 4.5439 0.0000 0.0000 63.7234 31.6738 176.3759 46 T 4.4328 7.2229 111.8235 60.2527 70.1143 172.5124 47 E 4.6561 7.9951 124.5934 54.3565 31.6324 177.2820 48 E 3.9580 8.7308 121.1038 58.6247 29.7052 177.1483 49 V 4.4532 6.9665 110.1701 59.3811 34.9032 174.7511 50 V 4.4049 7.8938 113.0457 59.5668 34.3173 175.2005 51 E 4.4654 8.2860 122.4060 54.8312 30.8023 176.3434 52 I 3.7968 8.3839 125.9212 64.3015 37.4426 177.1475 53 R 3.9949 7.8484 118.7600 56.7068 30.3513 175.3044 54 G 4.1684 8.1681 110.8704 43.8776 0.0000 172.1587 55 G 3.8109 8.5935 107.6399 45.8118 0.0000 173.8742 56 Q 4.1434 8.7740 121.7415 57.9490 29.3750 177.2544 57 R 4.7445 7.5314 115.0194 53.9233 33.6673 176.5636 58 R 3.9484 8.6716 120.2174 59.2080 30.3542 178.2673 59 K 4.0266 8.0635 118.1375 58.9834 32.4155 177.2325 60 S 4.2393 7.5254 112.1458 58.5217 63.1652 172.8635 61 E 4.7158 8.3550 119.9143 54.6596 32.5438 175.2724 62 R 4.4437 8.1567 118.1746 54.7089 32.0751 176.6089 63 K 4.2777 7.9170 120.2400 56.4281 32.4755 177.1742 64 F 4.3737 7.2933 118.5013 57.3385 39.1959 175.4868 65 F 4.8987 6.7304 119.1164 53.9798 37.3362 172.6601 66 P 4.7056 0.0000 0.0000 64.5112 32.3892 177.8962 67 G 4.2958 9.7909 109.0587 44.9372 0.0000 172.3026 68 Y 5.1812 7.4942 116.9563 56.1544 40.3741 175.5008 69 V 4.6641 8.5745 123.2526 61.0921 35.5805 173.8279 70 L 5.3767 8.6499 125.9239 53.2289 44.4309 175.5299 71 V 4.9765 9.3119 123.0502 61.3703 35.4751 173.6148 72 Q 3.7093 7.9289 129.3253 55.3208 30.2217 174.1130 73 M 5.0080 8.1088 124.2608 55.6595 36.6732 173.6030 74 V 4.1775 8.1501 115.6500 60.4864 33.0288 175.9513 75 M 4.0030 8.7956 125.1667 55.1168 32.5749 174.8302 76 N 5.0505 8.2238 121.4240 50.2989 41.1504 175.1905 77 D 4.3945 8.6284 117.5398 57.7523 40.7387 178.1586 78 A 4.1438 8.1107 121.7339 54.2865 18.4394 179.1125 79 S 4.1564 9.0859 111.4266 61.4940 63.1364 176.4403 80 W 4.1829 8.2495 132.1192 60.3994 30.5312 177.3692 81 H 4.2612 8.7570 117.7123 59.2852 29.0692 176.9636 82 L 3.8830 8.3417 121.6744 57.9290 42.2224 178.7779 83 V 3.6804 8.3185 118.5654 66.0805 31.2853 177.9249 84 R 3.6371 7.1637 116.7349 59.3559 29.8744 178.3498 85 S 4.1629 7.4294 112.6175 59.8111 63.0754 175.0761 86 V 3.3493 6.9322 123.0865 61.9373 31.5502 173.9838 87 P 4.3563 0.0000 0.0000 63.5239 32.1461 175.5193 88 R 4.0183 8.5023 115.1118 57.6763 27.1480 177.2641 89 V 4.3350 7.6016 115.5630 61.2086 34.2240 174.6346 90 M 4.0171 8.7983 128.5216 56.3865 32.6897 177.3824 91 G 3.7032 6.6168 105.1410 46.0335 0.0000 170.5920 92 F 4.8923 8.2383 120.3495 55.7914 42.2169 175.3579 93 I 4.3814 7.6741 120.1293 60.2214 38.4541 175.2186 94 G 3.9735 8.2834 116.4987 46.7900 0.0000 174.1003 95 G 3.8066 9.2405 109.8580 48.2099 0.0000 172.5862 96 T 4.7041 7.4569 111.8996 60.5191 70.7493 172.6781 97 S 4.8618 8.6240 114.8907 58.3332 62.9886 174.2342 98 D 5.1248 7.4032 117.8705 54.2175 42.4399 176.3523 99 R 4.1239 7.5159 114.1253 54.6480 31.8527 171.8244 100 P 4.2811 0.0000 0.0000 61.9509 31.5727 176.7379 101 A 4.1223 8.5830 127.2597 51.3671 18.9040 175.0661 102 P 4.8711 0.0000 0.0000 62.8419 32.3106 175.5319 103 I 4.7944 7.5992 111.9180 58.8252 40.7561 175.4092 104 S 4.2945 8.5696 118.8168 58.7914 63.6246 175.3096 105 D 4.3581 8.9862 122.9687 57.4927 40.7538 179.0831 106 K 3.8821 8.0208 119.5889 59.5264 32.1608 178.4311 107 E 3.9190 7.8578 118.7132 59.4590 29.2516 179.5093 108 V 3.4234 7.5226 117.6669 65.9895 31.3958 177.6842 109 D 4.1822 7.6828 118.0784 56.9659 40.5928 178.5643 110 A 3.9376 7.7201 121.1736 55.0238 18.1417 179.5675 111 I 3.4140 7.1724 116.7972 65.0151 37.5035 178.3586 112 M 4.4352 7.7801 119.3606 58.4311 31.7767 178.5038 113 N 4.3896 8.3947 117.0156 56.4637 38.4539 177.5353 114 R 4.0114 7.8866 118.5636 59.1843 30.2470 178.4449 115 L 4.2642 7.8598 118.9075 58.3509 42.1565 178.6049 116 Q 4.1204 8.1063 118.1324 57.9249 29.5061 176.3141 117 Q 4.0628 7.3954 120.3595 56.4518 29.5601 175.7696 118 V 4.4403 8.0054 116.3907 59.6510 36.1245 176.0581 119 G 3.8934 8.1924 111.1885 44.3535 0.0000 173.6323 120 D 4.4482 7.9386 118.8016 56.5425 41.8939 176.2209 121 K 4.5187 7.5221 118.0762 53.2568 32.1604 173.2463 122 P 4.4617 0.0000 0.0000 62.4765 32.4388 177.6968 123 R 4.1847 8.2243 118.2805 56.5980 31.0088 175.1698 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 M 8.30 4.49 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 S 8.84 4.03 0.00 3.93 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 3 E 8.13 4.59 0.00 1.89 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 0.00 2.18 2.26 0.00 4 A 8.54 4.05 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 5 P 0.00 4.40 0.00 2.16 2.04 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 6 K 8.38 4.49 0.00 1.68 1.68 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.39 7.81 7 K 8.43 4.42 0.00 1.53 1.43 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.37 7.81 8 R 7.79 4.56 0.00 1.35 1.42 0.00 3.20 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 9 W 8.32 4.73 0.00 3.23 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 10 Y 9.19 5.35 0.00 3.05 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 11 V 8.69 4.81 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 0.59 0.00 0.00 1.05 0.00 0.00 12 V 8.82 4.03 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 0.56 0.00 0.00 0.92 0.00 0.00 13 Q 8.37 4.81 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.44 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 14 A 8.65 4.81 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 15 F 8.63 4.40 0.00 3.28 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 16 S 8.67 4.47 0.00 4.06 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 17 G 9.05 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 18 F 7.78 4.68 0.00 3.15 3.12 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 0.00 0.00 0.00 19 E 7.89 4.10 0.00 2.12 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 2.36 2.40 0.00 20 G 7.99 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.01 3.94 0.00 2.00 2.23 0.00 3.36 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 22 V 8.60 3.59 2.32 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 1.02 0.00 0.00 1.11 0.00 0.00 23 A 7.81 4.00 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 24 T 7.60 3.85 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 1.19 0.00 0.00 25 S 8.28 4.06 0.00 4.05 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 26 L 7.66 3.87 0.00 1.65 1.30 0.91 1.20 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 27 R 7.46 3.65 0.00 1.84 2.00 0.00 3.06 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 1.58 1.63 0.00 28 E 7.73 3.85 0.00 1.92 1.82 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 2.26 2.40 0.00 29 H 8.11 4.18 0.00 3.14 3.38 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 30 I 8.38 3.71 1.72 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 0.99 0.62 1.04 0.00 0.00 31 K 8.41 3.89 0.00 1.81 1.90 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.59 7.81 32 L 8.23 3.95 0.00 1.71 1.59 0.87 1.11 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 33 H 8.45 4.53 0.00 3.25 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 7.77 4.15 0.00 2.86 2.88 0.00 0.00 7.08 7.63 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 35 M 8.82 4.56 0.00 2.53 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.80 0.00 36 E 8.24 4.14 0.00 2.05 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 2.41 2.45 0.00 37 D 8.21 4.37 0.00 2.68 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 38 L 8.03 4.04 0.00 1.61 1.51 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.79 4.53 0.00 3.16 3.04 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 40 G 8.81 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 41 E 7.43 4.84 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 42 V 8.67 4.62 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.10 0.00 0.00 43 M 9.66 4.86 0.00 1.93 2.32 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 44 V 8.20 4.45 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 1.05 0.00 0.00 0.97 0.00 0.00 45 P 0.00 4.54 0.00 2.01 2.37 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 46 T 7.22 4.43 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 1.26 0.00 0.00 47 E 8.00 4.66 0.00 2.08 1.74 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 2.21 2.13 0.00 48 E 8.73 3.96 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 49 V 6.97 4.45 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 0.76 0.00 0.00 0.89 0.00 0.00 50 V 7.89 4.40 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 0.64 0.00 0.00 0.89 0.00 0.00 51 E 8.29 4.47 0.00 1.89 1.82 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 2.31 2.30 0.00 52 I 8.38 3.80 1.86 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 1.29 0.64 0.91 0.00 0.00 53 R 7.85 3.99 0.00 1.77 1.85 0.00 3.23 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 54 G 8.17 4.17 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 0.00 0.00 0.00 55 G 8.59 3.81 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 0.00 0.00 0.00 56 Q 8.77 4.14 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 57 R 7.53 4.74 0.00 1.81 1.76 0.00 3.13 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 58 R 8.67 3.95 0.00 1.80 2.00 0.00 3.21 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 59 K 8.06 4.03 0.00 1.71 1.83 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 60 S 7.53 4.24 0.00 4.03 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 61 E 8.35 4.72 0.00 1.90 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 2.29 2.21 0.00 62 R 8.16 4.44 0.00 1.77 1.76 0.00 3.28 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 63 K 7.92 4.28 0.00 1.44 1.76 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.29 7.81 64 F 7.29 4.37 0.00 3.00 2.66 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 0.00 0.00 0.00 0.00 65 F 6.73 4.90 0.00 3.20 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 66 P 0.00 4.71 0.00 2.24 2.09 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 67 G 9.79 4.30 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 68 Y 7.49 5.18 0.00 2.94 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 69 V 8.57 4.66 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 1.07 0.00 0.00 1.04 0.00 0.00 70 L 8.65 5.38 0.00 1.76 1.69 1.06 0.65 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 71 V 9.31 4.98 2.38 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 1.23 0.00 0.00 1.14 0.00 0.00 72 Q 7.93 3.71 0.00 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.42 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 73 M 8.11 5.01 0.00 1.75 1.20 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 74 V 8.15 4.18 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 0.67 0.00 0.00 0.87 0.00 0.00 75 M 8.80 4.00 0.00 1.93 1.68 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 76 N 8.22 5.05 0.00 2.91 2.83 0.00 0.00 6.57 8.01 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 77 D 8.63 4.39 0.00 2.70 2.75 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 0.00 0.00 0.00 0.00 78 A 8.11 4.14 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 79 S 9.09 4.16 0.00 3.93 4.16 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 80 W 8.25 4.18 0.00 3.45 3.32 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 81 H 8.76 4.26 0.00 3.60 3.59 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.34 3.88 0.00 1.64 1.98 0.89 1.10 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 83 V 8.32 3.68 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 0.35 0.00 0.00 1.29 0.00 0.00 84 R 7.16 3.64 0.00 1.27 1.76 0.00 3.19 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 85 S 7.43 4.16 0.00 3.98 3.81 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 86 V 6.93 3.35 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 0.75 0.00 0.00 0.92 0.00 0.00 87 P 0.00 4.36 0.00 2.18 2.00 0.00 3.98 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 88 R 8.50 4.02 0.00 2.02 2.19 0.00 3.09 0.00 0.00 2.60 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.46 0.00 89 V 7.60 4.34 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 0.71 0.00 0.00 0.92 0.00 0.00 90 M 8.80 4.02 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 91 G 6.62 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 92 F 8.24 4.89 0.00 3.00 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 93 I 7.67 4.38 1.85 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 0.88 -0.07 1.07 0.00 0.00 94 G 8.28 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 9.24 3.81 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 0.00 0.00 0.00 96 T 7.46 4.70 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 1.29 0.00 0.00 97 S 8.62 4.86 0.00 4.11 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 98 D 7.40 5.12 0.00 2.75 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 99 R 7.52 4.12 0.00 1.62 1.73 0.00 3.08 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.23 0.00 100 P 0.00 4.28 0.00 2.14 2.10 0.00 3.45 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.00 101 A 8.58 4.12 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 0.00 102 P 0.00 4.87 0.00 2.14 2.21 0.00 3.77 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 2.04 2.04 0.00 103 I 7.60 4.79 1.91 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 1.51 0.80 1.04 0.00 0.00 104 S 8.57 4.29 0.00 3.80 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 0.00 105 D 8.99 4.36 0.00 2.74 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 0.00 106 K 8.02 3.88 0.00 1.80 1.79 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.51 7.81 107 E 7.86 3.92 0.00 2.12 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 2.31 2.46 0.00 108 V 7.52 3.42 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 0.06 0.00 0.00 0.69 0.00 0.00 109 D 7.68 4.18 0.00 2.80 2.63 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 0.00 110 A 7.72 3.94 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 0.00 111 I 7.17 3.41 1.91 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 1.33 0.67 0.53 0.00 0.00 112 M 7.78 4.44 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 113 N 8.39 4.39 0.00 2.93 2.89 0.00 0.00 6.94 8.22 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 0.00 114 R 7.89 4.01 0.00 2.29 2.20 0.00 3.06 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 1.70 1.89 0.00 115 L 7.86 4.26 0.00 1.66 1.91 0.51 1.11 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 0.00 116 Q 8.11 4.12 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 117 Q 7.40 4.06 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.47 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 118 V 8.01 4.44 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 0.87 0.00 0.00 0.93 0.00 0.00 119 G 8.19 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 D 7.94 4.45 0.00 2.62 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.52 4.52 0.00 1.73 1.69 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.37 7.81 122 P 0.00 4.46 0.00 2.16 2.03 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 123 R 8.22 4.18 0.00 1.75 1.79 0.00 3.39 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00