NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4772 8.1693 120.6435 54.9040 43.1065 175.6269 8 H 4.9666 8.7134 118.3074 53.2119 31.2607 171.8744 9 K 4.6399 9.3920 120.8564 56.0875 33.8338 177.2431 10 E 4.9876 9.1437 122.2125 53.7389 33.7096 173.7104 11 P 4.9989 0.0000 0.0000 63.2600 32.3653 174.9277 12 A 4.9349 8.6505 122.1893 51.3194 23.2154 175.3599 13 T 4.6292 8.5205 115.0791 61.2392 71.8897 174.0503 14 L 4.1474 8.7494 127.9335 56.2807 42.2858 175.3146 15 I 4.4129 8.6442 125.3014 62.1349 39.1176 175.7847 16 K 4.6090 7.5877 120.9452 55.0857 35.6429 174.2095 17 A 4.4833 8.7035 130.4621 52.1724 19.2901 176.8229 18 I 4.2060 8.1205 122.8736 62.7216 38.9064 174.9719 19 D 4.4881 7.4885 117.0316 53.2895 43.8215 175.5650 20 G 3.7151 8.8769 109.0760 47.9658 0.0000 173.9935 21 D 4.8999 8.0433 116.4671 52.9043 40.2459 175.0992 22 T 5.1812 7.9069 117.0877 62.4824 72.8797 173.3017 23 V 4.8246 8.7135 118.7812 59.3870 36.3144 174.3307 24 K 5.0336 9.2683 125.8997 55.2737 33.6686 175.3109 25 L 5.2846 9.0079 126.4655 53.1024 46.4574 175.4696 26 M 4.8417 9.2527 122.1426 54.9583 33.3865 174.2064 27 Y 4.9684 9.0365 128.5311 56.0243 41.8231 175.7776 28 K 3.6154 9.3844 127.1729 57.5444 29.7810 175.8785 29 G 3.9786 8.4226 103.1688 45.5800 0.0000 173.3466 30 Q 4.8083 7.9396 118.5787 52.8343 32.6924 173.1396 31 P 4.9305 0.0000 0.0000 63.4014 32.3298 175.3400 32 M 4.8394 9.2932 122.2636 54.0384 36.3554 173.6648 33 V 4.2875 8.4171 125.4786 62.6344 33.3470 174.3146 34 F 5.0091 9.4975 126.8439 55.6758 41.6951 174.3457 35 R 4.8825 8.8860 124.2847 54.8429 31.8887 175.1742 36 L 4.4233 8.6791 127.2639 54.1401 42.3457 177.2424 37 L 3.8933 8.4279 124.5891 56.0714 42.2475 178.1155 38 L 3.8460 8.8217 120.5151 54.9520 39.2962 174.0604 39 V 4.8995 7.2484 110.6128 59.5429 35.5562 174.9285 40 D 4.9121 9.0344 124.5006 52.9116 42.7852 175.7079 41 T 4.7248 8.2964 113.9216 59.3401 71.0575 173.1374 42 P 4.4382 0.0000 0.0000 62.7663 32.2713 175.7645 43 E 4.6910 10.4097 121.7829 55.0113 32.0077 176.9228 44 T 4.3125 8.4524 109.8800 62.6024 70.0655 175.8197 45 K 4.4313 7.6315 122.0016 53.6076 31.2754 174.0060 46 H 4.7539 8.2007 117.8276 54.2117 33.6885 172.5964 47 P 4.3294 0.0000 0.0000 63.0856 32.0253 173.1121 48 K 3.9090 8.1203 117.0322 57.8600 30.2597 177.6280 49 K 4.0451 7.6199 122.1654 58.7780 35.6380 178.8834 50 G 3.8378 9.4787 108.8672 43.2296 0.0000 175.4182 51 V 4.4678 8.4819 127.7929 61.0534 31.7237 174.2195 52 E 4.2759 9.2090 128.1187 55.3130 31.1735 176.1642 53 K 4.0942 8.2879 122.9006 58.0850 32.7240 176.5234 54 Y 4.5167 8.2387 123.4048 59.5965 35.6418 171.1586 55 G 3.7641 8.1863 108.0139 47.4198 0.0000 174.3670 56 P 4.2703 0.0000 0.0000 64.9949 31.3573 178.6151 57 E 4.0226 8.1876 116.7097 59.4646 29.5261 179.1320 58 A 4.0448 8.4771 121.2471 55.1630 18.5075 179.6787 59 S 4.1610 8.5126 111.8791 61.4158 62.4534 176.2656 60 A 4.0599 8.6779 124.0749 54.7355 18.0770 179.3559 61 F 3.9282 8.4720 119.3780 61.9227 39.4827 177.4898 62 T 3.9428 8.1900 115.3077 66.3816 68.2163 176.5239 63 K 3.8893 7.9867 121.2045 59.5804 32.3283 179.0205 64 K 3.9385 8.0590 118.7273 59.5704 31.6960 179.0429 65 M 3.8591 7.5668 117.4537 58.7127 32.3109 178.3483 66 V 3.8329 7.9432 112.3265 63.9284 31.6332 178.3954 67 E 4.0414 8.5646 118.0592 58.4988 29.2871 177.8715 68 N 4.7363 7.8347 114.3824 52.0963 39.1568 174.7601 69 A 4.6697 6.8939 123.8016 51.2681 20.0963 178.5092 70 K 4.1948 8.9009 120.3939 58.3654 32.7606 178.1746 71 K 4.6701 8.7496 118.1303 54.5268 35.8492 175.5069 72 I 4.9549 8.3938 125.0326 59.6683 39.8219 174.4240 73 E 5.2498 9.0554 125.0017 54.6636 33.5643 175.1703 74 V 4.6200 9.0244 116.2721 59.5060 35.0313 174.6985 75 E 4.9900 8.8058 124.3044 54.3876 32.0150 175.1328 76 F 4.6629 8.8099 125.7555 57.6375 40.1086 175.7643 77 D 4.9733 8.4478 120.5522 53.4286 43.2798 175.7496 78 K 4.3058 8.7779 117.2823 58.2859 33.1310 178.4117 79 G 4.1897 8.5127 111.3577 44.6298 0.0000 173.5574 80 Q 4.1149 8.6158 121.7357 56.5802 29.3399 176.4955 81 R 4.7534 8.4359 117.5781 56.4058 31.6725 175.5322 82 T 5.1786 7.6921 108.5377 60.0400 72.4182 173.3598 83 D 5.0113 8.4252 123.2517 51.7565 42.3011 176.7916 84 K 3.9778 8.6259 116.2943 59.2722 32.7065 176.9394 85 Y 4.2982 8.0680 116.0662 57.9180 38.1288 176.1876 86 G 3.9386 8.2922 108.7162 45.0646 0.0000 173.7386 87 R 4.3927 8.2357 119.4977 54.7856 31.8116 176.4725 88 G 3.5529 8.3269 110.8290 46.3006 0.0000 172.3700 89 L 5.2856 8.7330 123.8182 53.1080 43.2827 175.6649 90 A 4.4509 8.3093 124.6558 50.9327 23.5966 174.1210 91 Y 4.8061 8.6669 117.5861 57.3747 39.5834 175.0760 92 I 4.7929 8.7151 124.6139 59.6812 40.2867 174.1049 93 Y 5.0452 9.0430 123.7087 56.0563 41.1127 174.3939 94 A 4.8795 9.1479 126.1608 50.4953 21.2280 176.4654 95 D 4.1275 9.5698 125.0545 55.5727 38.7783 174.9776 96 G 4.0132 8.1309 106.1586 45.1457 0.0000 172.3744 97 K 4.5172 8.0708 120.5156 54.6779 33.6338 175.3437 98 M 4.0189 8.5591 123.7696 55.0782 33.0857 176.8411 99 V 3.6094 8.4587 127.1825 66.1729 31.5780 177.7036 100 N 4.2998 7.9906 115.7354 56.3028 38.4564 176.8400 101 E 3.8541 8.0350 119.9026 59.1349 29.8548 178.3315 102 A 4.0765 8.1925 120.9614 55.3092 18.3810 179.5692 103 L 3.4694 7.9264 117.3622 57.7637 41.6760 180.0345 104 V 3.7137 7.4479 118.1780 66.0548 31.3173 178.1470 105 R 3.9555 8.2477 117.4979 58.8480 29.9283 177.4240 106 Q 4.3671 7.5561 115.1856 54.7264 29.2020 175.6672 107 G 3.9473 7.9454 108.6310 46.9758 0.0000 174.8633 108 L 4.4332 7.8603 117.1267 53.8588 42.4526 176.3159 109 A 4.6325 7.4825 118.6582 50.9630 22.0166 176.0447 110 K 4.8328 8.6807 119.4727 54.3405 35.3728 176.1458 111 V 4.1136 8.7327 123.2490 63.1004 32.0346 176.2862 112 A 4.9080 8.6157 130.2500 50.8262 20.0625 176.1405 113 Y 4.3057 7.6750 115.3905 58.0378 38.5171 175.6248 114 V 4.0366 8.0734 123.7906 61.3493 33.1884 174.6187 115 Y 4.6752 8.1332 124.3510 55.9008 38.6528 175.5413 116 K 4.4685 8.5929 124.8266 56.0756 32.7501 175.0431 117 P 4.8353 0.0000 0.0000 63.1894 31.7192 176.9012 118 N 4.8911 8.1254 119.1693 52.5867 36.9615 175.1117 119 N 5.1248 7.9388 114.6596 53.2741 39.0558 177.5015 120 T 3.8498 8.6553 118.1201 67.6675 68.7405 174.8912 121 H 4.8266 7.9712 116.4452 55.8144 29.0555 176.7140 122 E 3.9601 8.3563 123.2133 59.7476 29.3056 179.0784 123 Q 3.9896 8.0404 117.5166 59.0709 28.9550 177.8951 124 H 4.2088 8.2194 118.8421 59.3803 29.8778 177.1689 125 L 3.9077 7.8783 120.6373 57.8403 41.3992 179.6983 126 R 3.8621 8.2445 118.1530 59.0507 29.9455 179.2921 127 K 3.9366 8.2802 118.4928 59.6394 32.0066 179.5976 128 S 4.0961 7.8476 115.1435 61.5157 62.7128 176.3699 129 E 3.8710 8.9413 122.3046 59.1464 29.4344 178.7687 130 A 3.7640 8.0026 121.0428 54.9108 18.3987 179.4445 131 Q 3.8067 8.0090 117.9657 59.2629 29.1658 178.2791 132 A 4.0143 8.1465 122.0170 54.9766 18.3390 179.8167 133 K 3.3677 7.4178 117.1276 59.0868 31.7217 179.4156 134 K 3.8521 7.4118 118.5133 59.3713 32.2239 177.8771 135 E 4.2106 8.0331 115.3504 55.3520 30.4992 176.5241 136 K 4.0639 7.7594 118.3398 57.2530 30.4308 175.2409 137 L 4.3738 8.1286 118.7719 55.1441 44.6928 177.9933 138 N 3.9367 9.0554 120.6527 52.8217 37.6031 176.2468 139 I 3.0672 5.4200 125.7557 64.7162 37.3903 176.4310 140 W 4.8343 7.7458 117.4913 56.4370 29.0986 176.4824 141 S 4.4527 8.2585 120.0972 58.4464 62.6747 173.9147 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 7 L 8.17 4.48 0.00 1.74 1.81 1.07 0.90 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 8 H 8.71 4.97 0.00 3.21 3.27 0.00 5.71 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 9 K 9.39 4.64 0.00 1.58 1.68 0.00 1.44 0.00 0.00 1.28 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.30 7.81 10 E 9.14 4.99 0.00 2.09 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 2.39 2.29 0.00 11 P 0.00 5.00 0.00 2.09 2.07 0.00 3.82 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 2.01 1.99 0.00 12 A 8.65 4.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.52 4.63 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 L 8.75 4.15 0.00 1.63 1.58 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.64 4.41 2.03 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 1.15 0.81 0.94 0.00 0.00 16 K 7.59 4.61 0.00 1.80 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.45 7.81 17 A 8.70 4.48 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 18 I 8.12 4.21 2.03 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 1.19 0.69 0.90 0.00 0.00 19 D 7.49 4.49 0.00 2.68 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 20 G 8.88 3.72 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 0.00 0.00 0.00 21 D 8.04 4.90 0.00 2.81 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 22 T 7.91 5.18 4.23 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 0.00 0.00 1.26 0.00 0.00 23 V 8.71 4.82 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 0.67 0.00 0.00 0.94 0.00 0.00 24 K 9.27 5.03 0.00 1.82 1.82 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 L 9.01 5.28 0.00 1.77 1.53 0.37 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.25 4.84 0.00 2.14 2.01 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 2.60 2.55 0.00 27 Y 9.04 4.97 0.00 3.26 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 28 K 9.38 3.62 0.00 1.60 1.63 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.99 0.21 7.81 29 G 8.42 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 30 Q 7.94 4.81 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 31 P 0.00 4.93 0.00 2.12 2.10 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 32 M 9.29 4.84 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.09 0.00 33 V 8.42 4.29 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 0.99 0.00 0.00 0.94 0.00 0.00 34 F 9.50 5.01 0.00 3.05 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 35 R 8.89 4.88 0.00 1.91 1.78 0.00 3.33 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 36 L 8.68 4.42 0.00 1.54 1.57 0.97 0.92 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 37 L 8.43 3.89 0.00 1.21 1.21 0.41 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.82 3.85 0.00 2.03 1.92 1.12 0.99 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 39 V 7.25 4.90 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 0.79 0.00 0.00 0.91 0.00 0.00 40 D 9.03 4.91 0.00 2.42 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 41 T 8.30 4.72 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 42 P 0.00 4.44 0.00 2.32 2.07 0.00 3.52 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 43 E 10.41 4.69 0.00 2.00 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 2.18 2.34 0.00 44 T 8.45 4.31 4.24 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 1.24 0.00 0.00 45 K 7.63 4.43 0.00 1.86 1.76 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.38 7.81 46 H 8.20 4.75 0.00 3.20 3.06 0.00 5.78 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.33 0.00 2.17 2.06 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 48 K 8.12 3.91 0.00 1.89 1.82 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.43 7.81 49 K 7.62 4.05 0.00 1.85 1.88 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.75 1.45 7.81 50 G 9.48 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 0.00 0.00 0.00 51 V 8.48 4.47 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 0.82 0.00 0.00 0.97 0.00 0.00 52 E 9.21 4.28 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 53 K 8.29 4.09 0.00 1.69 1.71 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.04 7.81 54 Y 8.24 4.52 0.00 3.16 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 55 G 8.19 3.76 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 0.00 0.00 0.00 56 P 0.00 4.27 0.00 2.16 2.11 0.00 3.58 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 2.08 2.16 0.00 57 E 8.19 4.02 0.00 2.37 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 0.00 2.52 2.50 0.00 58 A 8.48 4.04 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 59 S 8.51 4.16 0.00 4.07 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 60 A 8.68 4.06 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 61 F 8.47 3.93 0.00 3.28 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.19 3.94 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 1.23 0.00 0.00 63 K 7.99 3.89 0.00 1.94 2.01 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.48 7.81 64 K 8.06 3.94 0.00 1.63 1.73 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.54 7.81 65 M 7.57 3.86 0.00 2.03 1.72 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 2.49 2.51 0.00 66 V 7.94 3.83 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 0.72 0.00 0.00 1.00 0.00 0.00 67 E 8.56 4.04 0.00 1.87 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 2.33 2.54 0.00 68 N 7.83 4.74 0.00 2.78 2.79 0.00 0.00 6.93 6.71 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 69 A 6.89 4.67 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 70 K 8.90 4.19 0.00 1.84 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.67 7.81 71 K 8.75 4.67 0.00 1.64 1.66 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.39 4.95 2.02 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 1.33 1.24 0.85 0.00 0.00 73 E 9.06 5.25 0.00 1.91 1.77 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 2.20 2.25 0.00 74 V 9.02 4.62 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 -0.05 0.00 0.00 0.55 0.00 0.00 75 E 8.81 4.99 0.00 2.26 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 0.00 2.48 2.54 0.00 76 F 8.81 4.66 0.00 3.01 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 77 D 8.45 4.97 0.00 2.70 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 78 K 8.78 4.31 0.00 1.98 1.90 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.45 7.81 79 G 8.51 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.62 4.11 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 81 R 8.44 4.75 0.00 1.47 1.38 0.00 2.71 0.00 0.00 2.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 82 T 7.69 5.18 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 83 D 8.43 5.01 0.00 2.85 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 84 K 8.63 3.98 0.00 1.62 1.79 0.00 1.31 0.00 0.00 1.53 0.00 0.00 2.36 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.97 0.41 7.81 85 Y 8.07 4.30 0.00 3.14 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 86 G 8.29 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 87 R 8.24 4.39 0.00 2.01 1.87 0.00 3.11 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 88 G 8.33 3.55 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 0.00 0.00 0.00 89 L 8.73 5.29 0.00 1.57 1.61 0.94 0.93 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 90 A 8.31 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.67 4.81 0.00 2.98 2.65 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 0.00 0.00 0.00 0.00 92 I 8.72 4.79 1.76 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.94 0.81 0.00 0.00 93 Y 9.04 5.05 0.00 2.80 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 94 A 9.15 4.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 9.57 4.13 0.00 2.76 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 96 G 8.13 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.07 4.52 0.00 1.94 1.77 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.38 7.81 98 M 8.56 4.02 0.00 1.90 1.62 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.43 0.00 99 V 8.46 3.61 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 1.02 0.00 0.00 0.93 0.00 0.00 100 N 7.99 4.30 0.00 2.87 2.90 0.00 0.00 6.78 7.66 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 0.00 101 E 8.04 3.85 0.00 1.89 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 2.21 2.07 0.00 102 A 8.19 4.08 1.60 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 0.00 0.00 103 L 7.93 3.47 0.00 1.83 1.61 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.45 3.71 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 1.07 0.00 0.00 0.95 0.00 0.00 105 R 8.25 3.96 0.00 1.92 2.05 0.00 3.33 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 106 Q 7.56 4.37 0.00 1.62 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.42 0.00 0.00 0.00 0.00 0.00 2.33 2.09 0.00 107 G 7.95 3.95 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 0.00 0.00 0.00 108 L 7.86 4.43 0.00 1.25 1.48 0.52 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.48 4.63 1.11 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 0.00 110 K 8.68 4.83 0.00 1.63 1.76 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.65 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.15 1.15 7.81 111 V 8.73 4.11 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 0.77 0.00 0.00 0.95 0.00 0.00 112 A 8.62 4.91 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 0.00 113 Y 7.68 4.31 0.00 2.81 2.62 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 0.00 0.00 0.00 0.00 114 V 8.07 4.04 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 0.84 0.00 0.00 0.98 0.00 0.00 115 Y 8.13 4.68 0.00 3.18 2.86 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 0.00 116 K 8.59 4.47 0.00 1.80 1.80 0.00 1.79 0.00 0.00 1.97 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.41 7.81 117 P 0.00 4.84 0.00 2.22 2.16 0.00 3.81 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 1.98 2.01 0.00 118 N 8.13 4.89 0.00 2.94 2.88 0.00 0.00 6.62 8.12 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 0.00 119 N 7.94 5.12 0.00 2.86 3.00 0.00 0.00 6.11 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 0.00 120 T 8.66 3.85 4.34 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 1.12 0.00 0.00 121 H 7.97 4.83 0.00 2.80 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.36 3.96 0.00 2.20 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 2.39 0.00 123 Q 8.04 3.99 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 H 8.22 4.21 0.00 3.21 3.28 0.00 5.87 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 0.00 125 L 7.88 3.91 0.00 1.91 1.69 1.01 0.88 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 0.00 126 R 8.24 3.86 0.00 2.08 1.96 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 127 K 8.28 3.94 0.00 1.99 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 128 S 7.85 4.10 0.00 3.94 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 0.00 129 E 8.94 3.87 0.00 2.09 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 2.15 2.53 0.00 130 A 8.00 3.76 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.01 3.81 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 132 A 8.15 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 0.00 133 K 7.42 3.37 0.00 1.34 1.15 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.76 7.81 134 K 7.41 3.85 0.00 1.73 1.99 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.57 7.81 135 E 8.03 4.21 0.00 1.99 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 2.31 2.47 0.00 136 K 7.76 4.06 0.00 1.86 1.95 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.56 7.81 137 L 8.13 4.37 0.00 1.81 1.73 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.06 3.94 0.00 2.70 1.51 0.00 0.00 7.58 7.53 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 0.00 139 I 5.42 3.07 1.02 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.17 -0.72 0.00 0.00 140 W 7.75 4.83 0.00 3.40 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 0.00 141 S 8.26 4.45 0.00 3.98 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