NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 F 4.6108 8.3249 119.4317 56.2350 40.4112 174.5983 22 P 4.1628 0.0000 0.0000 60.2536 31.4152 172.9757 23 P 3.7860 0.0000 0.0000 65.8438 32.0860 175.6456 24 G 3.8562 6.7804 107.1662 41.7599 0.0000 172.7129 25 H 4.9920 8.5744 121.3795 53.4533 32.0514 174.8729 26 F 4.2768 8.9534 121.8799 59.4595 37.4840 176.2026 27 K 4.1090 6.3260 117.8517 57.3167 33.1908 176.7851 28 D 4.4777 7.5872 120.3703 53.4016 41.2728 174.3461 29 P 4.7188 0.0000 0.0000 63.2096 32.4534 175.0117 30 K 4.8904 9.4392 119.8074 55.2921 37.4435 175.0370 31 R 5.1274 9.0745 119.8090 53.8702 33.1919 175.8771 32 L 5.0393 8.6527 122.8300 53.3813 43.6981 174.4955 33 Y 4.6132 9.1505 126.7982 57.0414 40.3245 173.4687 34 C 3.9492 8.5306 130.1908 57.9776 32.7387 174.8633 35 K 3.6997 8.4984 129.0526 57.6647 31.2524 173.3677 36 N 4.2914 7.4458 118.7957 54.8002 37.1477 174.3529 37 G 3.9022 8.4191 113.9758 44.0552 0.0000 171.7240 38 G 3.0332 7.0674 106.5106 47.0982 0.0000 173.3643 39 F 4.6954 7.4176 117.1617 55.9177 41.3093 175.1674 40 F 5.1717 9.8158 122.5340 56.2072 40.8239 175.0866 41 L 4.6737 9.3405 126.2822 55.2789 43.2301 175.4971 42 R 4.8749 9.7634 127.4483 54.5539 33.2503 174.0782 43 I 4.7199 8.5144 127.3465 59.7404 38.8705 175.4836 44 H 4.3110 9.2403 125.6056 54.6275 29.3031 175.3777 45 P 4.1740 0.0000 0.0000 65.4405 31.2769 177.0315 46 D 4.6162 8.0987 115.5534 53.0836 39.6561 177.3040 47 G 4.1202 8.4102 109.3076 45.6757 0.0000 174.2661 48 R 4.3196 8.1447 119.6585 55.9861 30.6968 175.7531 49 V 4.8967 7.9344 120.6651 61.2577 34.4431 174.4803 50 D 4.6860 8.4705 125.0699 53.2965 43.1138 174.3760 51 G 4.6144 8.7026 104.4928 45.4342 0.0000 172.3883 52 V 5.0862 8.9984 113.4058 60.2230 36.3823 176.1435 53 R 3.9832 8.8195 119.0441 56.5676 31.3363 176.5519 54 E 4.1827 8.2978 121.6182 55.8389 28.7910 177.4665 55 K 3.4657 8.7777 129.3784 57.1753 31.7923 175.5234 56 S 4.2546 8.6862 111.1037 60.1774 63.4877 174.1816 57 D 4.2894 8.1437 122.3252 54.2916 41.0059 175.3593 58 P 4.1902 0.0000 0.0000 64.9187 31.8813 176.3114 59 H 4.8127 9.2356 117.5194 55.7170 28.6978 176.0479 60 I 4.4954 7.2846 113.6099 60.1138 38.5183 175.5488 61 K 4.2471 7.8328 126.2891 55.1076 32.4505 181.1028 62 L 5.1990 9.3437 126.1401 51.9159 45.5849 175.6371 63 Q 4.6788 8.9562 122.4077 54.4988 31.3386 174.2649 64 L 5.1001 8.5709 126.5716 53.8613 43.6274 176.1526 65 Q 4.6641 8.7822 122.4654 54.4432 32.6853 173.8577 66 A 4.6926 8.8813 129.6454 52.0530 19.3023 176.5901 67 E 4.3270 8.9057 123.8672 57.2451 30.6266 175.2071 68 E 4.6110 7.7108 114.4336 54.9088 31.7416 174.4118 69 R 3.8479 8.7265 118.9053 58.1909 30.2049 176.5552 70 G 4.0460 9.0562 111.3607 45.9275 0.0000 172.3989 71 V 4.9722 7.9758 120.4239 61.1956 34.3115 174.8630 72 V 5.3893 9.1240 119.8008 60.0079 36.9774 174.0578 73 S 5.4631 9.1660 115.6567 55.8903 66.5209 173.4160 74 I 4.6570 8.4094 121.1411 59.6782 40.2530 174.0100 75 K 4.5132 8.7674 129.6497 54.1138 34.4821 175.3802 76 G 3.8419 8.8153 115.9462 46.0700 0.0000 174.0896 77 V 3.5567 8.4845 127.0790 66.2004 31.5045 177.5246 78 S 4.1403 7.8924 113.7381 61.5882 62.8821 175.8256 79 A 3.9570 8.0578 122.6969 53.4506 18.2938 176.6147 80 N 4.0968 7.6681 112.9427 54.7303 38.1841 173.5612 81 R 4.9078 7.4475 112.1307 54.3588 35.2117 174.1719 82 Y 5.0031 9.0750 118.7519 55.9807 40.4465 175.3710 83 L 4.5809 9.1789 126.2954 55.6094 43.5177 175.5789 84 A 5.2880 9.2432 126.0893 50.8942 23.2949 174.6467 85 M 5.1338 8.8410 122.9558 54.2640 34.2830 176.6989 86 K 4.6444 9.1388 130.6294 54.3762 32.9562 174.7289 87 E 3.4384 9.2888 113.4212 59.3428 29.3336 178.5697 88 D 4.5264 7.9715 116.7662 54.2809 39.9538 177.0251 89 G 3.7373 8.7245 111.2411 45.3887 0.0000 174.3879 90 R 4.4683 8.3114 120.7398 56.6615 30.8148 180.4519 91 L 5.0784 6.8223 122.8950 53.1815 44.0795 175.2352 92 L 4.7176 8.7696 124.7417 54.8161 44.8560 173.8219 93 A 5.2684 9.1729 121.3018 50.2357 21.3210 175.5883 94 S 4.7771 8.9621 120.3576 57.5105 64.9782 176.7358 95 K 4.2435 8.8803 123.4561 56.6310 31.9054 177.0947 96 S 4.7520 7.6959 112.0988 55.8415 64.3184 173.6049 97 V 3.1794 8.0765 127.7179 63.1334 31.6447 174.8059 98 T 4.7016 7.7960 116.6218 59.6857 71.6114 173.5861 99 D 4.8079 8.5981 119.0323 54.6625 39.7629 176.2894 100 E 4.3142 8.3125 119.4696 56.7860 29.7917 176.1770 101 C 4.7570 7.2489 115.9463 58.4714 29.6424 172.7656 102 F 4.9841 7.0112 117.9906 55.5610 41.6986 174.3413 103 F 5.2750 9.0144 120.9843 55.5270 43.6173 174.1040 104 F 4.8562 9.7192 122.8588 57.5744 39.8609 173.9279 105 E 4.7399 9.3972 126.3311 54.8895 30.7496 175.2249 106 R 4.5967 8.4801 126.5821 54.5025 33.9315 173.6633 107 L 5.0511 8.4685 128.1945 52.8066 42.3507 175.8658 108 E 4.3124 9.1168 127.1811 55.7096 30.1413 178.7630 109 S 4.1152 8.5884 114.9416 61.0736 62.9755 174.8520 110 N 4.6391 8.1620 116.3031 52.5988 37.4675 174.7056 111 N 4.3321 8.4040 115.2677 54.6293 36.4617 173.2288 112 Y 4.8061 7.9765 114.5859 56.4357 41.9478 174.4424 113 N 5.6467 9.9141 119.2318 52.0677 41.7089 174.3323 114 T 5.1486 8.6281 110.9209 60.2591 72.8868 172.6748 115 Y 4.7812 8.8764 120.3344 56.5386 40.8700 173.9373 116 R 4.8434 8.8779 126.0133 54.3023 31.8235 175.4927 117 S 4.6853 9.1679 121.8003 59.4124 62.7895 175.0435 118 R 3.7420 8.4885 127.6183 58.9039 30.0146 177.8568 119 K 3.7086 7.9023 119.3259 58.9857 32.5116 177.3900 120 Y 4.3334 7.0915 121.3623 55.7557 36.3624 176.5568 121 T 4.2713 8.2899 111.6457 62.3791 69.0171 175.4122 122 S 4.6779 7.6956 114.5429 57.7344 64.4140 173.4175 123 W 5.3533 8.2032 122.4264 55.8677 30.8379 174.8785 124 Y 5.3454 8.9776 121.6269 56.0602 40.0120 175.7603 125 V 4.0009 9.1971 122.7573 63.1927 33.0812 174.8939 126 A 4.9820 8.4441 127.2454 51.4632 22.9332 174.4525 127 L 5.1679 8.5787 120.9816 53.4633 45.1614 178.4114 128 K 4.1562 9.6814 128.2448 54.6545 32.3197 176.9333 129 R 4.2565 8.3584 117.4303 58.9905 29.4084 179.0593 130 T 4.0734 7.5022 105.6313 63.3479 69.4906 175.6397 131 G 2.6742 7.4158 109.3926 44.6773 0.0000 173.3519 132 Q 4.5419 7.4657 119.1293 54.1525 30.2971 174.7664 133 Y 4.8852 8.1302 121.1926 57.7000 39.3654 175.4514 134 K 4.6496 8.4177 122.6219 52.8706 34.8021 175.6958 135 L 4.0130 8.8340 124.3877 54.5381 42.2165 178.6133 136 G 3.7421 8.9727 113.4219 48.6516 0.0000 175.7780 137 S 2.9629 6.3652 112.8844 59.7763 62.8443 174.9747 138 K 4.3877 7.8752 119.4550 56.0360 32.0277 175.8616 139 T 4.8368 7.5667 109.5426 60.3523 71.0804 173.9050 140 G 4.3397 8.1264 109.2154 43.7640 0.0000 172.1551 141 P 3.8679 0.0000 0.0000 65.4828 31.3169 178.3727 142 G 3.6761 7.9053 104.1681 47.2206 0.0000 173.7634 143 Q 4.0845 7.5933 118.8107 56.1651 29.4143 176.2146 144 K 4.1337 8.2573 118.4709 56.6072 33.3935 177.8143 145 A 4.0605 7.7682 121.0357 54.4470 18.6470 178.3864 146 I 4.5306 7.3488 106.5964 60.1405 38.3904 175.2284 147 L 4.6104 7.1482 121.9481 54.0925 42.6578 175.6670 148 F 5.5136 9.5296 122.9208 55.6382 43.1336 174.0465 149 L 5.2680 9.7111 125.4905 52.5630 44.0400 173.7491 150 P 5.1631 0.0000 0.0000 63.3357 32.2889 175.4953 151 M 5.0321 9.2849 121.6180 53.2532 36.7463 174.7804 152 S 4.5150 8.7709 114.7287 57.8301 63.5139 173.6389 153 A 4.3440 8.3439 128.8532 52.8870 18.7604 178.3477 154 K 4.1798 7.6138 127.8817 55.7094 32.2510 177.2365 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 21 F 8.32 4.61 0.00 3.06 3.14 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 0.00 0.00 0.00 22 P 0.00 4.16 0.00 2.20 2.05 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 23 P 0.00 3.79 0.00 2.20 2.06 0.00 3.83 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 2.03 2.03 0.00 24 G 6.78 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 0.00 0.00 0.00 25 H 8.57 4.99 0.00 3.14 3.29 0.00 5.89 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 26 F 8.95 4.28 0.00 3.15 3.18 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 0.00 0.00 0.00 27 K 6.33 4.11 0.00 1.69 1.31 0.00 1.44 0.00 0.00 1.32 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.99 1.29 7.81 28 D 7.59 4.48 0.00 2.82 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 29 P 0.00 4.72 0.00 2.04 2.12 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 30 K 9.44 4.89 0.00 1.68 1.97 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.44 7.81 31 R 9.07 5.13 0.00 1.83 1.95 0.00 2.34 0.00 0.00 2.74 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 32 L 8.65 5.04 0.00 1.55 1.59 0.30 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 9.15 4.61 0.00 3.01 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 34 C 8.53 3.95 0.00 2.35 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 K 8.50 3.70 0.00 1.79 1.74 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.27 7.81 36 N 7.45 4.29 0.00 2.64 2.67 0.00 0.00 7.11 7.98 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 37 G 8.42 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.07 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 0.00 0.00 0.00 39 F 7.42 4.70 0.00 2.95 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 40 F 9.82 5.17 0.00 3.09 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 41 L 9.34 4.67 0.00 1.83 1.56 0.98 0.19 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 42 R 9.76 4.87 0.00 1.89 2.05 0.00 3.11 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.62 0.00 43 I 8.51 4.72 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.87 0.00 0.00 44 H 9.24 4.31 0.00 3.38 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.17 0.00 2.01 2.10 0.00 3.60 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 46 D 8.10 4.62 0.00 2.76 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 47 G 8.41 4.12 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 0.00 0.00 0.00 48 R 8.14 4.32 0.00 1.97 1.89 0.00 3.00 0.00 0.00 3.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 49 V 7.93 4.90 2.15 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 0.81 0.00 0.00 0.97 0.00 0.00 50 D 8.47 4.69 0.00 2.94 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 51 G 8.70 4.61 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 52 V 9.00 5.09 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 0.91 0.00 0.00 1.10 0.00 0.00 53 R 8.82 3.98 0.00 1.79 1.94 0.00 2.94 0.00 0.00 2.88 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.25 0.00 54 E 8.30 4.18 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 55 K 8.78 3.47 0.00 1.81 1.74 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.02 7.81 56 S 8.69 4.25 0.00 3.89 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.14 4.29 0.00 2.79 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 58 P 0.00 4.19 0.00 2.05 2.06 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 59 H 9.24 4.81 0.00 3.20 3.44 0.00 5.56 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.28 4.50 1.90 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 1.30 1.24 1.00 0.00 0.00 61 K 7.83 4.25 0.00 1.47 1.76 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.04 7.81 62 L 9.34 5.20 0.00 1.56 1.49 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.96 4.68 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 64 L 8.57 5.10 0.00 1.66 1.67 1.02 0.79 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 65 Q 8.78 4.66 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 66 A 8.88 4.69 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 67 E 8.91 4.33 0.00 1.93 1.65 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 1.47 1.97 0.00 68 E 7.71 4.61 0.00 2.07 1.88 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 2.06 2.19 0.00 69 R 8.73 3.85 0.00 1.79 1.95 0.00 3.37 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 70 G 9.06 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.98 4.97 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 0.90 0.00 0.00 0.79 0.00 0.00 72 V 9.12 5.39 2.35 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 0.86 0.00 0.00 1.24 0.00 0.00 73 S 9.17 5.46 0.00 3.83 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 74 I 8.41 4.66 1.79 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.85 0.72 0.00 0.00 75 K 8.77 4.51 0.00 1.23 1.39 0.00 0.75 0.00 0.00 1.37 0.00 0.00 2.68 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.97 0.63 7.81 76 G 8.82 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 77 V 8.48 3.56 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 0.75 0.00 0.00 0.92 0.00 0.00 78 S 7.89 4.14 0.00 3.95 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 79 A 8.06 3.96 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 80 N 7.67 4.10 0.00 2.86 2.81 0.00 0.00 6.94 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.45 4.91 0.00 1.71 1.73 0.00 3.24 0.00 0.00 3.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 82 Y 9.07 5.00 0.00 2.81 2.79 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 0.00 0.00 0.00 83 L 9.18 4.58 0.00 1.64 1.57 0.80 0.49 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 84 A 9.24 5.29 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 85 M 8.84 5.13 0.00 2.45 2.34 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 86 K 9.14 4.64 0.00 1.73 1.68 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.25 7.81 87 E 9.29 3.44 0.00 1.97 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 2.24 1.87 0.00 88 D 7.97 4.53 0.00 2.77 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 89 G 8.72 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 90 R 8.31 4.47 0.00 1.54 1.82 0.00 3.23 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 91 L 6.82 5.08 0.00 0.50 0.71 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.77 4.72 0.00 1.87 1.68 0.94 0.52 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 93 A 9.17 5.27 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 94 S 8.96 4.78 0.00 3.93 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 95 K 8.88 4.24 0.00 1.80 1.77 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 96 S 7.70 4.75 0.00 3.79 3.73 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 97 V 8.08 3.18 1.73 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 0.54 0.00 0.00 -0.57 0.00 0.00 98 T 7.80 4.70 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 1.22 0.00 0.00 99 D 8.60 4.81 0.00 2.75 2.80 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 0.00 100 E 8.31 4.31 0.00 2.01 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 2.17 2.20 0.00 101 C 7.25 4.76 0.00 2.08 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 0.00 102 F 7.01 4.98 0.00 2.64 2.61 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 0.00 103 F 9.01 5.27 0.00 3.17 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 0.00 104 F 9.72 4.86 0.00 3.11 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 0.00 105 E 9.40 4.74 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 2.26 1.98 0.00 106 R 8.48 4.60 0.00 1.99 1.74 0.00 3.20 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 107 L 8.47 5.05 0.00 1.71 1.62 1.04 1.08 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 0.00 108 E 9.12 4.31 0.00 2.37 1.88 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 2.49 2.43 0.00 109 S 8.59 4.12 0.00 3.99 4.03 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 N 8.16 4.64 0.00 3.02 3.04 0.00 0.00 6.12 8.04 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 0.00 111 N 8.40 4.33 0.00 2.81 2.88 0.00 0.00 6.74 8.32 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 0.00 112 Y 7.98 4.81 0.00 3.06 2.88 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 0.00 113 N 9.91 5.65 0.00 2.92 2.54 0.00 0.00 6.89 6.93 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 0.00 114 T 8.63 5.15 4.44 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 1.26 0.00 0.00 115 Y 8.88 4.78 0.00 2.85 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 R 8.88 4.84 0.00 1.71 1.96 0.00 3.17 0.00 0.00 2.64 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.15 0.00 117 S 9.17 4.69 0.00 4.32 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.49 3.74 0.00 1.14 1.59 0.00 3.05 0.00 0.00 2.52 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.12 0.00 119 K 7.90 3.71 0.00 1.44 0.92 0.00 1.41 0.00 0.00 1.49 0.00 0.00 3.14 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.33 0.55 7.81 120 Y 7.09 4.33 0.00 2.97 1.89 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 0.00 121 T 8.29 4.27 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 1.27 0.00 0.00 122 S 7.70 4.68 0.00 4.10 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 0.00 123 W 8.20 5.35 0.00 3.47 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 8.98 5.35 0.00 2.93 3.01 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 0.00 125 V 9.20 4.00 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 0.64 0.00 0.00 0.47 0.00 0.00 126 A 8.44 4.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 5.17 0.00 1.45 1.43 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 128 K 9.68 4.16 0.00 1.56 1.68 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.25 7.81 129 R 8.36 4.26 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 130 T 7.50 4.07 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 1.14 0.00 0.00 131 G 7.42 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 0.00 0.00 0.00 132 Q 7.47 4.54 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 133 Y 8.13 4.89 0.00 3.04 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.42 4.65 0.00 1.55 1.59 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.25 7.81 135 L 8.83 4.01 0.00 1.45 1.41 0.84 0.92 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 0.00 136 G 8.97 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 0.00 137 S 6.37 2.96 0.00 3.64 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 0.00 138 K 7.88 4.39 0.00 1.73 1.78 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.20 7.81 139 T 7.57 4.84 4.42 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 0.00 0.00 0.00 1.33 0.00 0.00 140 G 8.13 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 0.00 0.00 0.00 0.00 141 P 0.00 3.87 0.00 2.06 2.17 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 142 G 7.91 3.68 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 0.00 0.00 0.00 143 Q 7.59 4.08 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 144 K 8.26 4.13 0.00 1.65 1.66 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.19 7.81 145 A 7.77 4.06 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 0.00 146 I 7.35 4.53 1.90 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.10 0.91 0.00 0.00 147 L 7.15 4.61 0.00 1.20 1.07 0.58 0.88 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 0.00 148 F 9.53 5.51 0.00 3.35 3.18 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 0.00 0.00 0.00 149 L 9.71 5.27 0.00 2.04 1.79 0.66 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 5.16 0.00 2.24 2.22 0.00 3.89 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 2.09 2.14 0.00 151 M 9.28 5.03 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.51 0.00 152 S 8.77 4.52 0.00 3.90 3.78 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 0.00 153 A 8.34 4.34 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 0.00 154 K 7.61 4.18 0.00 1.88 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.23 7.81