NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5308 8.3044 120.2858 55.3018 34.0005 173.8987 3 V 4.2267 8.0499 121.0877 59.9273 33.8399 172.8247 4 W 4.6839 9.1365 135.0000 57.2875 31.5874 175.0398 5 T 4.0777 8.0720 123.6020 61.1710 67.3186 172.7101 6 P 4.4914 0.0000 0.0000 63.9331 32.1026 176.1788 7 V 4.2384 7.3175 118.6665 60.9479 33.6941 174.4277 8 N 4.6613 8.6242 124.5364 52.2499 38.7511 175.3000 9 N 4.9029 8.2423 126.1770 52.4257 39.0134 175.2572 10 K 4.0918 8.1920 118.2225 56.5758 33.0099 177.7709 11 M 4.7738 8.3279 123.7711 54.5302 34.4508 175.8700 12 F 4.6654 8.7228 117.0432 56.7555 41.3671 176.2057 13 E 3.5874 8.4194 122.3276 57.2302 27.4939 175.5179 14 T 3.8557 8.3740 122.9051 66.1633 68.7760 174.3800 15 F 4.4420 8.8925 123.2454 57.9559 36.6914 176.2173 16 S 4.6103 8.2194 114.3720 59.6814 63.2011 174.3549 17 Y 4.3610 8.1978 117.6390 58.2629 38.3143 175.2102 18 L 4.6423 7.5045 120.4324 52.3708 43.5084 174.4276 19 P 4.5034 0.0000 0.0000 61.6347 31.8169 175.1302 20 P 4.3333 0.0000 0.0000 62.7739 31.8029 176.3458 21 L 4.0613 8.2949 122.5449 54.4618 42.2662 177.9687 22 T 4.0999 8.2187 114.1506 61.5048 70.5691 175.2415 23 D 4.3445 8.6908 121.9939 57.1308 40.7739 178.4176 24 E 4.1292 7.9896 119.1677 58.4761 29.9890 177.9591 25 Q 3.9110 8.0501 118.2706 58.7935 28.7030 178.7227 26 I 3.6246 8.0864 121.1106 64.3156 37.1438 178.3712 27 A 4.0702 7.7489 120.9345 54.9700 18.2884 179.5483 28 A 3.9954 8.2085 119.5513 55.3296 18.3593 179.9353 29 Q 4.0805 7.9559 116.3187 59.2300 28.8124 179.0872 30 V 3.7561 7.9842 119.2354 65.9871 31.5147 177.8666 31 D 4.3701 8.2601 118.8720 57.5731 40.1972 177.9837 32 Y 4.2933 8.0737 119.6245 60.7081 38.5787 178.3325 33 I 3.9278 8.1079 120.8046 64.6402 37.4450 178.6862 34 V 3.5599 8.0625 118.8268 65.7063 31.0951 177.6860 35 A 3.9029 8.2021 120.3436 54.8569 18.2740 178.4516 36 N 4.1059 6.9921 110.7793 52.4017 38.7286 176.1616 37 G 3.8059 7.2009 108.0709 45.4568 0.0000 173.9070 38 W 4.9284 7.2332 118.8368 56.2600 30.4226 176.2014 39 I 4.3539 8.8875 124.4216 60.0753 37.6892 173.9277 40 P 4.9193 0.0000 0.0000 63.0243 33.1702 174.6546 41 C 4.9704 8.8870 120.0119 58.5184 35.6754 172.3192 42 L 5.3430 8.7188 123.6805 53.1500 44.3599 175.2202 43 E 5.5836 9.2655 121.6340 54.8488 33.9608 174.7141 44 F 5.6075 8.9597 116.0892 55.9189 42.0875 172.9785 45 A 4.5793 8.2762 120.2349 50.2374 22.2948 176.2382 46 E 4.3334 8.6409 118.5577 55.4020 30.8239 177.5880 47 A 4.1160 8.7853 122.3773 55.9563 18.6440 179.1825 48 D 4.5122 8.1804 114.8013 57.8068 41.1175 178.9704 49 K 4.4064 7.4580 113.3685 57.0714 31.4158 177.8655 50 A 4.0353 7.8460 124.5900 53.3647 19.4403 178.2042 51 Y 4.6924 7.3522 111.7301 55.8711 39.8226 175.7105 52 V 3.9040 8.3971 123.3140 63.3769 32.2220 175.3616 53 S 4.7130 8.5832 121.2522 57.9622 66.4915 173.2467 54 N 5.2684 8.2766 113.1255 52.1315 36.9785 175.2945 55 E 4.1989 8.0982 116.6291 59.0690 31.1422 178.7666 56 S 4.0877 8.1978 114.8880 60.0378 63.2806 175.4764 57 A 2.6758 7.1369 120.9675 52.9568 17.7420 178.8077 58 I 3.6503 6.9359 116.3017 62.8858 38.1361 176.8956 59 R 4.4165 7.3257 116.4604 55.6085 30.7346 176.1508 60 F 4.9807 6.9756 118.0735 56.1684 41.3410 176.9510 61 G 4.1973 8.0824 118.2117 46.3697 0.0000 174.8562 62 S 4.6140 8.6555 118.9508 59.2822 62.7571 174.6241 63 V 4.3620 7.6887 112.1844 61.3964 31.6035 176.3587 64 S 4.7879 8.1008 112.1216 58.2692 63.2186 172.9566 65 C 4.3856 7.9713 119.2018 61.0790 27.7861 173.3140 66 L 3.5778 8.4184 125.7637 56.1160 38.6124 173.8891 67 Y 4.4851 7.1596 118.1821 55.8209 40.4897 174.2662 68 Y 4.8071 7.5315 123.7331 56.1924 42.2033 174.9580 69 D 4.3939 8.9756 124.4827 55.4948 41.5553 176.0970 70 N 4.7616 8.7638 116.3216 54.7743 35.6307 176.6065 71 R 3.9287 8.1408 118.3507 59.3111 30.4428 177.2548 72 Y 4.3889 7.6199 115.0301 58.0246 38.1650 175.4807 73 W 5.0098 8.7076 125.0943 55.5888 32.4041 174.8113 74 T 4.3239 8.2333 117.3888 62.4337 69.5693 174.5757 75 M 4.5739 8.5024 126.7648 55.2694 33.1005 175.2093 76 W 4.7328 9.5962 135.0000 56.4057 31.3008 176.8108 77 K 3.4002 8.5500 128.7242 57.5861 30.6322 177.9134 78 L 4.9379 8.2603 125.8208 52.7706 45.1974 173.9614 79 P 4.4127 0.0000 0.0000 63.0266 31.6559 177.4169 80 M 4.2422 8.0656 122.5764 54.0212 30.6486 174.6741 81 F 4.4161 8.2251 121.7692 57.8635 39.8290 177.1005 82 G 3.9727 9.1695 112.5780 46.0476 0.0000 173.3814 83 C 4.3208 7.7212 119.4479 59.9800 29.9596 172.9832 84 R 4.4431 8.1862 128.9732 56.3615 30.4544 176.8554 85 D 4.7875 7.8438 118.4868 51.4281 42.2796 173.8781 86 P 4.3061 0.0000 0.0000 65.7035 31.2935 178.3840 87 M 4.0794 7.9407 117.5489 58.6637 31.8411 178.6885 88 Q 4.0702 7.9135 119.3958 58.6511 29.1185 178.4253 89 V 3.5920 7.7255 119.1994 66.0977 31.8843 177.6605 90 L 4.0159 7.6769 118.8432 58.1025 41.3410 179.9035 91 R 3.9988 8.0601 117.8744 59.2294 29.9580 178.9299 92 E 4.1306 8.0688 118.4444 59.1057 29.4901 179.2301 93 I 3.5368 7.8860 120.1518 64.2484 37.1477 178.5159 94 V 3.4976 7.8412 119.4440 65.5140 31.5656 177.6154 95 A 3.9645 8.1801 120.8176 55.4999 18.0104 179.2582 96 C 2.4500 7.4430 116.8955 62.1614 31.5898 175.8184 97 T 3.6518 7.5004 111.3224 64.5395 67.8517 176.1453 98 K 3.8754 7.7523 121.3520 59.3840 32.3736 178.5089 99 A 4.0030 7.3841 119.1569 53.4500 19.9144 177.5662 100 F 4.6304 7.9271 116.2799 54.7108 39.1599 173.8272 101 P 4.4383 0.0000 0.0000 64.5157 31.7132 177.9555 102 D 4.5529 8.0011 115.9729 53.9987 41.2835 175.7737 103 A 4.6768 7.4265 121.1342 50.8069 20.8575 176.8414 104 Y 4.2288 8.6638 118.1372 57.6708 39.3745 175.1397 105 V 5.2619 8.9587 123.7447 61.0989 35.1177 174.3483 106 R 5.0341 9.3738 123.4288 54.3142 33.2178 173.6371 107 L 4.8382 8.0519 123.3761 53.8828 43.8176 175.6592 108 V 4.8059 8.7030 118.3045 59.4810 36.4231 174.2748 109 A 4.8912 8.2892 122.9399 50.3687 22.7266 174.9653 110 F 5.2178 9.0575 120.4023 55.7269 42.0667 174.2874 111 D 5.1382 8.8142 123.9208 53.3092 41.8317 176.6508 112 N 4.7328 9.1240 122.9640 54.1990 38.4858 176.5735 113 Q 4.1300 8.7538 118.7876 59.1723 28.8567 177.5243 114 K 4.0920 8.3978 113.4838 56.5276 32.9898 176.6657 115 Q 3.3835 8.0535 118.2421 56.2419 27.0462 172.6317 116 V 4.5202 7.9924 118.1856 59.7580 35.1052 174.6310 117 Q 4.3437 8.7221 123.0313 56.5225 29.2424 175.4348 118 I 4.1200 8.1624 126.1171 61.9884 39.5906 174.9055 119 M 4.7153 7.1276 117.3526 54.2586 34.6895 173.9977 120 G 4.7357 8.2732 102.7479 46.5202 0.0000 172.7260 121 F 5.1837 7.3982 117.9963 55.0253 41.6444 173.1477 122 L 4.6112 8.8324 122.4691 55.5453 42.0582 176.7229 123 V 4.5174 9.1141 118.1151 61.6285 34.4904 175.9409 124 Q 4.3569 7.7914 121.3323 54.4043 32.2178 173.4911 125 R 4.3115 8.3240 126.9279 53.8180 31.4405 174.2152 126 P 4.2781 0.0000 0.0000 62.3085 32.1628 177.5648 127 K 3.9983 8.3726 119.5463 59.6273 32.1780 178.8580 128 T 3.9440 7.8082 107.1421 63.2490 68.9900 174.3393 129 A 4.1515 7.5302 126.3185 52.7234 18.4060 177.2200 130 R 4.6383 8.8465 118.3017 56.0939 30.6980 175.7908 131 D 4.8630 8.3549 118.1036 53.0477 39.7466 175.4340 132 F 5.3428 8.2071 113.7075 55.3988 40.6918 174.1711 133 Q 4.2601 8.2020 119.5159 52.7319 31.4407 174.2295 134 P 4.3773 0.0000 0.0000 62.5657 31.8211 177.0244 135 A 4.0301 8.7593 123.5940 55.1826 18.3193 178.5334 136 N 4.5445 8.0454 111.6268 54.5271 38.0929 175.9129 137 K 4.3988 7.6508 117.0215 56.2504 32.2583 177.8057 138 R 3.6551 7.6134 121.3107 57.5612 30.3237 176.5385 139 S 4.9789 7.5448 111.1046 56.2602 65.7005 174.2613 140 V 3.9577 8.2916 115.8743 61.5536 31.6114 175.5399 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 2 M 8.30 4.53 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 3 V 8.05 4.23 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 0.99 0.00 0.00 0.97 0.00 0.00 4 W 9.14 4.68 0.00 3.51 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 5 T 8.07 4.08 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 1.02 0.00 0.00 6 P 0.00 4.49 0.00 2.23 2.19 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 7 V 7.32 4.24 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 0.80 0.00 0.00 0.91 0.00 0.00 8 N 8.62 4.66 0.00 2.77 2.77 0.00 0.00 6.82 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.24 4.90 0.00 2.58 2.72 0.00 0.00 7.28 6.68 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 10 K 8.19 4.09 0.00 2.06 1.61 0.00 1.45 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.08 1.24 7.81 11 M 8.33 4.77 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 12 F 8.72 4.67 0.00 3.17 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 13 E 8.42 3.59 0.00 2.18 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 0.00 2.23 2.17 0.00 14 T 8.37 3.86 4.22 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 0.00 0.00 0.00 0.08 0.00 0.00 15 F 8.89 4.44 0.00 3.37 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 16 S 8.22 4.61 0.00 4.22 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 0.00 17 Y 8.20 4.36 0.00 3.03 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 18 L 7.50 4.64 0.00 1.82 1.64 0.91 1.35 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 19 P 0.00 4.50 0.00 2.04 2.00 0.00 3.70 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 2.13 0.00 20 P 0.00 4.33 0.00 2.05 2.01 0.00 3.70 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 2.08 2.19 0.00 21 L 8.29 4.06 0.00 1.55 1.45 0.24 0.60 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 22 T 8.22 4.10 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 1.18 0.00 0.00 23 D 8.69 4.34 0.00 2.70 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 24 E 7.99 4.13 0.00 2.01 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 0.00 2.30 2.37 0.00 25 Q 8.05 3.91 0.00 2.25 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 I 8.09 3.62 2.04 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 1.48 0.90 1.08 0.00 0.00 27 A 7.75 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.21 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.96 4.08 0.00 2.40 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.36 1.87 0.00 30 V 7.98 3.76 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 1.10 0.00 0.00 1.15 0.00 0.00 31 D 8.26 4.37 0.00 3.00 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 32 Y 8.07 4.29 0.00 3.11 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 33 I 8.11 3.93 2.19 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.01 1.06 0.00 0.00 34 V 8.06 3.56 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 1.02 0.00 0.00 1.00 0.00 0.00 35 A 8.20 3.90 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 36 N 6.99 4.11 0.00 1.44 1.42 0.00 0.00 7.12 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 37 G 7.20 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 38 W 7.23 4.93 0.00 3.31 2.97 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 39 I 8.89 4.35 2.13 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.67 0.71 0.00 0.00 40 P 0.00 4.92 0.00 2.21 2.19 0.00 3.63 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 41 C 8.89 4.97 0.00 3.08 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 42 L 8.72 5.34 0.00 1.85 1.63 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.27 5.58 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 44 F 8.96 5.61 0.00 3.05 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 45 A 8.28 4.58 -0.13 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 46 E 8.64 4.33 0.00 2.18 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 2.33 2.25 0.00 47 A 8.79 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.18 4.51 0.00 2.81 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 49 K 7.46 4.41 0.00 1.50 1.77 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.48 7.81 50 A 7.85 4.04 0.65 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 0.00 0.00 51 Y 7.35 4.69 0.00 3.01 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 52 V 8.40 3.90 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 0.61 0.00 0.00 0.82 0.00 0.00 53 S 8.58 4.71 0.00 4.02 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 54 N 8.28 5.27 0.00 2.88 3.08 0.00 0.00 5.75 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 55 E 8.10 4.20 0.00 2.13 2.25 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 2.36 2.28 0.00 56 S 8.20 4.09 0.00 4.19 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 57 A 7.14 2.68 1.14 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 0.00 0.00 58 I 6.94 3.65 1.80 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 1.49 0.82 0.87 0.00 0.00 59 R 7.33 4.42 0.00 2.01 2.03 0.00 3.21 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 60 F 6.98 4.98 0.00 2.92 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 61 G 8.08 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 0.00 0.00 0.00 0.00 62 S 8.66 4.61 0.00 3.87 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 63 V 7.69 4.36 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 0.67 0.00 0.00 0.60 0.00 0.00 64 S 8.10 4.79 0.00 4.12 4.31 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 65 C 7.97 4.39 0.00 2.98 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 66 L 8.42 3.58 0.00 1.81 1.81 0.95 0.97 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 67 Y 7.16 4.49 0.00 2.98 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 68 Y 7.53 4.81 0.00 2.79 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 69 D 8.98 4.39 0.00 2.72 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 70 N 8.76 4.76 0.00 3.10 3.27 0.00 0.00 7.00 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 71 R 8.14 3.93 0.00 1.42 1.62 0.00 3.00 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 72 Y 7.62 4.39 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.71 5.01 0.00 3.09 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 74 T 8.23 4.32 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 0.99 0.00 0.00 75 M 8.50 4.57 0.00 2.06 2.03 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 2.70 2.81 0.00 76 W 9.60 4.73 0.00 3.72 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.55 3.40 0.00 1.67 0.82 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.98 0.42 7.81 78 L 8.26 4.94 0.00 1.60 1.58 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.41 0.00 1.01 1.93 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 80 M 8.07 4.24 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 81 F 8.23 4.42 0.00 3.15 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 82 G 9.17 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 83 C 7.72 4.32 0.00 2.95 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 84 R 8.19 4.44 0.00 1.83 1.93 0.00 3.26 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 85 D 7.84 4.79 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.31 0.00 2.22 2.13 0.00 3.68 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 7.94 4.08 0.00 2.02 2.32 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 7.91 4.07 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.73 3.59 2.27 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 1.06 0.00 0.00 0.97 0.00 0.00 90 L 7.68 4.02 0.00 1.89 1.73 0.98 0.94 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 91 R 8.06 4.00 0.00 2.08 2.01 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 92 E 8.07 4.13 0.00 2.18 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 2.59 2.63 0.00 93 I 7.89 3.54 2.00 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 1.38 1.15 0.87 0.00 0.00 94 V 7.84 3.50 2.21 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 1.10 0.00 0.00 0.93 0.00 0.00 95 A 8.18 3.96 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.44 2.45 0.00 1.55 2.42 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 0.00 97 T 7.50 3.65 4.28 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 1.16 0.00 0.00 98 K 7.75 3.88 0.00 1.89 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 99 A 7.38 4.00 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 0.00 100 F 7.93 4.63 0.00 2.77 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 0.00 101 P 0.00 4.44 0.00 2.11 2.11 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 102 D 8.00 4.55 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.43 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.66 4.23 0.00 2.51 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.96 5.26 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 1.05 0.00 0.00 0.89 0.00 0.00 106 R 9.37 5.03 0.00 1.83 1.95 0.00 2.40 0.00 0.00 2.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.40 0.00 107 L 8.05 4.84 0.00 1.55 0.74 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.70 4.81 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 0.43 0.00 0.00 0.55 0.00 0.00 109 A 8.29 4.89 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 0.00 110 F 9.06 5.22 0.00 2.99 2.92 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 0.00 111 D 8.81 5.14 0.00 2.36 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 9.12 4.73 0.00 2.94 3.06 0.00 0.00 6.31 7.39 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 0.00 113 Q 8.75 4.13 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 114 K 8.40 4.09 0.00 1.76 1.86 0.00 1.94 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.46 7.81 115 Q 8.05 3.38 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.99 4.52 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 0.51 0.00 0.00 0.91 0.00 0.00 117 Q 8.72 4.34 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 118 I 8.16 4.12 1.22 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.10 -0.45 0.00 0.00 119 M 7.13 4.72 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 120 G 8.27 4.74 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 0.00 121 F 7.40 5.18 0.00 3.27 3.35 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 0.00 122 L 8.83 4.61 0.00 1.71 1.68 0.87 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.11 4.52 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 0.84 0.00 0.00 0.96 0.00 0.00 124 Q 7.79 4.36 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 125 R 8.32 4.31 0.00 1.53 1.44 0.00 2.21 0.00 0.00 2.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.35 0.00 126 P 0.00 4.28 0.00 2.05 2.00 0.00 2.20 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 127 K 8.37 4.00 0.00 1.72 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.35 7.81 128 T 7.81 3.94 4.26 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 1.21 0.00 0.00 129 A 7.53 4.15 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 0.00 130 R 8.85 4.64 0.00 1.93 2.06 0.00 3.07 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 131 D 8.35 4.86 0.00 2.96 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 0.00 132 F 8.21 5.34 0.00 3.27 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 0.00 133 Q 8.20 4.26 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.02 0.00 134 P 0.00 4.38 0.00 2.16 2.15 0.00 3.37 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 135 A 8.76 4.03 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 0.00 136 N 8.05 4.54 0.00 2.82 2.94 0.00 0.00 5.98 7.13 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 0.00 137 K 7.65 4.40 0.00 1.67 1.71 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.32 7.81 138 R 7.61 3.66 0.00 1.37 0.66 0.00 3.11 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 139 S 7.54 4.98 0.00 3.98 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 0.00 140 V 8.29 3.96 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 0.62 0.00 0.00 0.89 0.00 0.00