NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 4.6400 8.4393 115.4481 55.4663 39.1238 172.8479 4 D 4.6821 8.0985 126.1829 51.1834 42.0081 175.1073 5 I 3.7170 9.0975 119.5433 65.0132 37.6800 179.2859 6 T 3.8228 7.3386 116.8974 66.6965 68.2718 175.5403 7 L 3.8771 7.5800 121.8891 58.7862 41.9594 179.2865 8 Q 3.7803 7.9639 116.9358 58.8151 28.6033 178.6216 9 E 3.9125 8.3860 119.8204 59.3522 29.4386 179.1460 10 I 3.6430 7.9412 120.0568 64.5565 37.1361 178.2506 11 I 3.5649 7.7578 120.3184 64.3566 36.8956 178.2712 12 K 3.7461 8.1384 120.3952 59.8798 31.9303 178.9527 13 T 3.4555 7.9049 115.8523 66.3514 68.3689 176.4696 14 L 3.8877 7.8986 120.9940 58.2143 41.5245 179.4118 15 N 4.4385 8.0113 114.7089 56.3071 38.1691 176.9296 16 S 4.1693 7.5174 114.0948 60.8142 62.6471 176.1579 17 L 3.8537 7.9416 122.4566 57.7105 41.2111 179.0348 18 T 4.2082 8.2469 108.3281 63.2443 69.1221 175.8016 19 E 4.5106 7.5331 119.3266 56.5566 30.7149 176.0914 20 Q 4.3904 7.2478 117.3734 53.5200 29.0542 174.2674 21 K 4.0848 8.3490 121.6141 56.3043 32.1657 177.1700 22 T 4.4603 8.1905 120.6563 61.1258 69.2454 173.0790 23 L 4.5748 8.2956 117.8959 55.8836 43.1593 178.8947 24 C 4.4948 8.1422 117.4617 58.5614 42.3349 174.6118 25 T 3.8366 7.9025 113.2830 64.3898 67.2839 175.7447 26 E 4.1412 7.8106 119.7975 59.4946 29.8367 177.3658 27 L 4.4439 7.7470 118.1948 55.1664 43.0973 176.4938 28 T 5.0831 8.1995 110.4901 60.8309 71.8929 173.0089 29 V 4.4745 8.3284 113.5668 60.4654 36.9665 173.4272 30 T 5.0003 8.2197 118.9606 62.9297 68.8008 175.8024 31 D 4.8361 8.4158 129.0612 52.8880 39.9703 176.6271 32 I 3.6793 7.5188 115.2185 64.2824 37.8110 177.8396 33 F 4.4501 7.7746 118.3011 60.0933 39.1257 176.8060 34 A 4.1940 8.3106 119.5842 54.4847 19.6675 178.3963 35 A 4.3711 7.4982 120.7822 50.8853 17.4968 176.7847 36 S 4.5670 7.5553 116.1348 56.8779 64.4234 173.3170 37 K 4.6923 7.9504 125.8233 55.1498 34.7026 176.8928 38 N 4.4538 8.7890 118.2841 54.6156 38.3566 176.0039 39 T 4.1950 7.6287 107.1567 61.7009 69.6831 174.3633 40 T 4.4634 8.1933 113.2654 60.0897 72.0896 175.5047 41 E 3.5285 8.5449 121.2286 59.7571 29.4474 179.6398 42 K 3.9448 8.1106 117.4149 59.8543 32.0610 178.6160 43 E 3.9068 8.1537 117.7530 60.2022 29.3655 179.0115 44 T 3.9399 7.5809 114.9155 66.9161 68.3900 176.1445 45 F 4.4885 7.6511 119.0070 61.2344 39.1054 176.9502 46 C 4.3278 8.3861 117.6929 59.7920 41.7013 175.4907 47 R 3.9313 8.8857 120.2228 59.4817 29.7461 178.5533 48 A 4.5757 8.5166 120.3564 55.4781 18.3288 179.3569 49 A 4.1698 8.4907 119.1695 55.8577 18.6684 179.8386 50 T 3.8465 8.7569 114.3685 66.8761 68.0567 176.8043 51 V 3.4907 8.7760 120.9772 66.1882 31.5968 177.9039 52 L 4.0214 8.6708 118.9809 57.7680 41.3569 179.4411 53 R 3.4949 8.2197 118.6588 59.5949 30.1169 178.2028 54 Q 3.7100 7.7110 117.2605 59.6977 28.7692 178.8177 55 F 4.0392 7.9037 120.6007 61.7067 39.3445 176.6129 56 Y 4.4848 8.3320 116.9749 59.9418 37.8989 178.1488 57 S 3.8329 7.1770 116.7680 61.1820 62.7179 175.6291 58 H 4.5473 7.5385 117.6957 58.0220 29.0496 176.4788 59 H 4.5394 7.9840 114.4716 55.9123 28.8302 176.0427 60 E 4.0858 8.2820 122.9094 58.3844 30.1642 177.5297 61 K 4.4267 7.2386 118.1650 54.8254 31.4000 176.3032 62 D 4.5934 7.3435 117.5613 51.6226 43.0175 175.4613 63 T 3.9289 8.4668 124.5549 66.5652 68.1720 176.3023 64 R 3.9057 7.9689 118.9259 59.3322 30.1764 178.8380 65 C 4.4729 8.0658 114.0263 58.1914 40.5612 174.9910 66 L 4.1371 7.8049 119.8307 55.3659 42.3314 179.3523 67 G 4.2028 8.5871 107.5924 42.6416 0.0000 175.3355 68 A 3.5613 8.2915 129.2790 53.0338 18.2843 180.5242 69 T 4.5535 8.3022 109.7256 62.6774 71.8404 174.7215 70 A 4.0962 8.3445 122.8285 54.5728 18.3110 180.1964 71 Q 3.9613 8.0144 116.8272 59.3595 28.9947 178.4747 72 Q 3.9625 7.8657 118.2918 58.6887 28.6591 178.4307 73 F 4.0064 8.5423 122.0655 61.8344 39.3063 176.7973 74 H 4.2139 8.2634 117.4652 59.1161 29.8461 177.0215 75 R 3.8865 8.7872 121.1275 59.7158 29.6958 178.0714 76 H 4.1704 8.7182 118.5924 58.8035 29.8864 176.8445 77 K 3.6063 7.7020 121.5331 59.7131 31.8579 178.1977 78 Q 3.5258 8.5409 118.6591 58.9624 28.6113 178.8085 79 L 4.0270 7.6320 120.3496 58.6638 42.0542 179.2445 80 I 3.6289 7.7888 119.4898 64.2125 36.9574 178.6673 81 R 3.6854 8.0519 119.2278 59.3824 29.8443 179.2205 82 F 4.5260 8.4591 117.8340 60.4258 38.8527 177.7631 83 L 4.0223 8.2073 118.8985 57.7990 41.5133 179.5492 84 K 3.4677 7.6281 118.2313 59.5332 31.8932 179.5911 85 R 3.9307 7.9547 118.1133 59.0963 29.9868 178.8548 86 L 3.9921 8.3277 120.5446 58.4119 42.0737 177.9289 87 D 4.4650 8.6692 118.1894 57.8664 41.0040 178.3329 88 R 4.0899 8.2489 117.8308 59.5888 30.2422 178.9377 89 N 4.3562 8.1025 115.4878 56.3256 38.6666 177.2295 90 L 3.9225 7.9688 120.2741 57.7165 41.9498 179.1478 91 W 4.4344 8.8543 128.5954 60.9531 30.3857 178.2826 92 G 3.6707 8.4417 104.2375 47.6362 0.0000 175.0935 93 L 4.0169 8.2262 121.8238 57.4212 42.0459 178.5741 94 A 4.2355 7.8425 120.5143 53.0596 19.6349 177.7646 95 G 3.7440 7.6017 102.9004 46.5757 0.0000 173.7723 96 L 4.6718 6.6769 115.6564 52.3096 45.9424 177.3695 97 N 4.6112 8.8264 120.5850 55.8382 37.5964 175.2704 98 S 4.8585 7.4006 109.4217 57.5534 65.2485 175.2820 99 C 4.7019 8.6166 119.2345 53.8775 41.2756 170.6519 100 P 4.2080 0.0000 0.0000 62.6687 30.1601 176.6186 101 V 3.9223 8.2217 124.1329 60.7554 31.9913 177.4348 102 K 3.7046 8.6989 124.3225 56.9464 32.6828 176.2564 103 E 3.6012 7.3107 118.5538 56.9322 27.2118 172.1209 104 A 4.3656 7.1083 120.3398 51.6309 21.8253 176.9120 105 N 5.0343 7.7908 109.8653 51.2272 41.9602 174.0618 106 Q 5.4063 8.2388 118.7288 54.6489 32.4897 175.0315 107 S 4.7943 8.9203 114.3425 57.2295 66.8550 174.4451 108 T 4.3793 8.6541 111.7129 62.4784 69.0885 174.4546 109 L 3.9087 9.1955 125.8012 58.4369 41.9925 178.7320 110 E 3.9235 7.7178 117.8228 59.7251 29.3782 178.2389 111 N 4.2507 8.3281 116.4698 56.8263 38.9768 176.4350 112 F 4.2576 8.3143 121.6481 61.5065 39.5431 177.0435 113 L 4.0111 8.8481 118.9768 57.6733 41.4104 179.1570 114 E 3.7993 8.3618 119.2837 59.2682 29.5964 178.7404 115 R 3.6376 7.9086 118.2795 59.2117 30.0424 178.7169 116 L 3.1840 7.2523 119.4085 57.8053 42.2379 178.5773 117 K 3.7782 8.2367 120.0030 60.0074 32.0318 178.3550 118 T 3.7642 7.7037 115.4152 66.7290 68.4593 176.5634 119 I 3.6372 7.2374 121.1368 64.8621 37.1424 178.4383 120 M 4.1775 8.2499 119.4720 58.4214 31.2172 179.0110 121 R 3.9474 7.8751 117.9173 59.1184 30.3307 178.6344 122 E 3.9516 8.2046 119.0692 59.1487 29.7771 178.7501 123 K 3.9370 8.0120 119.4539 59.8580 32.1066 177.8445 124 Y 4.1425 7.9658 118.5861 60.7600 38.6399 177.8860 125 S 4.2823 7.7108 112.6747 60.1818 63.6915 175.9238 126 K 4.2279 7.7418 120.5172 57.9517 32.4026 174.5410 127 C 4.6500 7.7385 112.8973 55.5521 43.2410 173.8759 128 S 4.1377 8.1768 114.8010 59.5408 63.3549 175.2763 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 3 C 8.44 4.64 0.00 3.11 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 4 D 8.10 4.68 0.00 3.00 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 5 I 9.10 3.72 1.88 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 1.66 0.56 0.92 0.00 0.00 6 T 7.34 3.82 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 1.20 0.00 0.00 7 L 7.58 3.88 0.00 1.93 1.83 0.90 0.94 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 8 Q 7.96 3.78 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.07 2.56 0.00 9 E 8.39 3.91 0.00 2.10 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 2.31 2.56 0.00 10 I 7.94 3.64 2.04 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.89 0.00 0.00 11 I 7.76 3.56 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.74 0.00 0.00 12 K 8.14 3.75 0.00 1.77 1.94 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.39 7.81 13 T 7.90 3.46 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 1.14 0.00 0.00 14 L 7.90 3.89 0.00 1.75 1.66 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.01 4.44 0.00 2.80 2.81 0.00 0.00 7.08 8.38 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 16 S 7.52 4.17 0.00 3.59 3.34 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 17 L 7.94 3.85 0.00 1.83 1.68 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.25 4.21 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 1.23 0.00 0.00 19 E 7.53 4.51 0.00 1.99 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 2.39 2.32 0.00 20 Q 7.25 4.39 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 21 K 8.35 4.08 0.00 1.74 1.80 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 22 T 8.19 4.46 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 1.33 0.00 0.00 23 L 8.30 4.57 0.00 1.76 1.69 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.14 4.49 0.00 3.10 3.30 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 25 T 7.90 3.84 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 1.38 0.00 0.00 26 E 7.81 4.14 0.00 2.06 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 2.54 2.42 0.00 27 L 7.75 4.44 0.00 1.91 1.72 0.56 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.20 5.08 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 1.25 0.00 0.00 29 V 8.33 4.47 1.78 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 0.68 0.00 0.00 0.79 0.00 0.00 30 T 8.22 5.00 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 1.20 0.00 0.00 31 D 8.42 4.84 0.00 2.75 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 32 I 7.52 3.68 1.64 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.36 0.85 0.00 0.00 33 F 7.77 4.45 0.00 3.08 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 34 A 8.31 4.19 1.45 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 0.00 0.00 35 A 7.50 4.37 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 36 S 7.56 4.57 0.00 4.17 3.79 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 37 K 7.95 4.69 0.00 1.76 1.62 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.38 7.81 38 N 8.79 4.45 0.00 2.69 2.78 0.00 0.00 6.86 7.70 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 39 T 7.63 4.20 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 1.18 0.00 0.00 40 T 8.19 4.46 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 1.19 0.00 0.00 41 E 8.54 3.53 0.00 2.00 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 0.00 2.21 2.39 0.00 42 K 8.11 3.94 0.00 1.75 1.88 0.00 1.81 0.00 0.00 1.94 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.52 7.81 43 E 8.15 3.91 0.00 2.09 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 2.37 2.38 0.00 44 T 7.58 3.94 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 1.22 0.00 0.00 45 F 7.65 4.49 0.00 3.13 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 46 C 8.39 4.33 0.00 3.08 3.27 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 47 R 8.89 3.93 0.00 1.89 1.99 0.00 3.36 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 48 A 8.52 4.58 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.49 4.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.76 3.85 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 51 V 8.78 3.49 2.22 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 0.44 0.00 0.00 0.94 0.00 0.00 52 L 8.67 4.02 0.00 2.02 1.93 1.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.22 3.49 0.00 1.96 1.98 0.00 2.88 0.00 0.00 2.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.39 0.00 54 Q 7.71 3.71 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.56 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 55 F 7.90 4.04 0.00 3.08 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 56 Y 8.33 4.48 0.00 3.39 3.41 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 57 S 7.18 3.83 0.00 3.49 3.63 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 58 H 7.54 4.55 0.00 2.92 2.98 0.00 5.60 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 59 H 7.98 4.54 0.00 2.66 3.12 0.00 5.66 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 60 E 8.28 4.09 0.00 2.19 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 0.00 2.33 2.29 0.00 61 K 7.24 4.43 0.00 1.63 1.72 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.33 7.81 62 D 7.34 4.59 0.00 2.68 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 63 T 8.47 3.93 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 1.23 0.00 0.00 64 R 7.97 3.91 0.00 1.88 1.99 0.00 3.18 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 65 C 8.07 4.47 0.00 2.73 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 66 L 7.80 4.14 0.00 1.70 1.76 0.85 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.59 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 68 A 8.29 3.56 1.06 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 0.00 0.00 69 T 8.30 4.55 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 70 A 8.34 4.10 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 71 Q 8.01 3.96 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 72 Q 7.87 3.96 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 73 F 8.54 4.01 0.00 3.31 3.25 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 74 H 8.26 4.21 0.00 3.33 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.79 3.89 0.00 2.15 2.09 0.00 3.19 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 76 H 8.72 4.17 0.00 3.28 3.37 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.70 3.61 0.00 1.67 1.67 0.00 1.51 0.00 0.00 0.96 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.33 7.81 78 Q 8.54 3.53 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.50 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 79 L 7.63 4.03 0.00 1.83 1.87 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.79 3.63 1.81 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 1.54 0.58 0.84 0.00 0.00 81 R 8.05 3.69 0.00 1.60 1.57 0.00 2.96 0.00 0.00 2.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 82 F 8.46 4.53 0.00 3.01 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 83 L 8.21 4.02 0.00 1.82 1.76 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.63 3.47 0.00 1.77 1.66 0.00 1.45 0.00 0.00 1.50 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.59 0.70 7.81 85 R 7.95 3.93 0.00 2.11 2.03 0.00 3.16 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 86 L 8.33 3.99 0.00 1.93 1.95 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.67 4.47 0.00 3.02 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 88 R 8.25 4.09 0.00 1.97 2.06 0.00 3.22 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 89 N 8.10 4.36 0.00 2.88 2.86 0.00 0.00 7.02 7.94 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 90 L 7.97 3.92 0.00 2.05 2.15 1.14 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.85 4.43 0.00 3.54 3.39 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 92 G 8.44 3.67 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 93 L 8.23 4.02 0.00 1.54 1.72 0.76 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.84 4.24 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 95 G 7.60 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 96 L 6.68 4.67 0.00 1.23 1.34 0.85 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.83 4.61 0.00 2.90 2.99 0.00 0.00 5.95 7.64 0.00 0.00 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 S 7.40 4.86 0.00 4.07 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 99 C 8.62 4.70 0.00 3.02 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 0.00 100 P 0.00 4.21 0.00 2.18 2.15 0.00 3.78 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 2.00 1.99 0.00 101 V 8.22 3.92 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 0.82 0.00 0.00 0.92 0.00 0.00 102 K 8.70 3.70 0.00 1.76 1.91 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.36 7.81 103 E 7.31 3.60 0.00 1.85 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 2.22 2.27 0.00 104 A 7.11 4.37 1.22 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 0.00 0.00 0.00 105 N 7.79 5.03 0.00 2.76 2.76 0.00 0.00 6.62 7.69 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 0.00 106 Q 8.24 5.41 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 107 S 8.92 4.79 0.00 3.94 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 0.00 108 T 8.65 4.38 4.47 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 1.29 0.00 0.00 109 L 9.20 3.91 0.00 1.50 1.56 0.63 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.72 3.92 0.00 2.16 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 2.37 0.00 111 N 8.33 4.25 0.00 2.86 3.11 0.00 0.00 6.96 7.05 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 0.00 112 F 8.31 4.26 0.00 3.28 3.20 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 0.00 113 L 8.85 4.01 0.00 1.90 1.71 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.36 3.80 0.00 2.13 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 0.00 2.27 2.33 0.00 115 R 7.91 3.64 0.00 1.58 1.23 0.00 3.28 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 116 L 7.25 3.18 0.00 1.16 1.52 1.05 0.72 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 0.00 117 K 8.24 3.78 0.00 1.82 1.92 0.00 1.82 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.45 7.81 118 T 7.70 3.76 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 1.14 0.00 0.00 119 I 7.24 3.64 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.91 0.00 0.00 120 M 8.25 4.18 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.90 0.00 121 R 7.88 3.95 0.00 2.10 1.98 0.00 3.09 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 122 E 8.20 3.95 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 123 K 8.01 3.94 0.00 2.01 2.05 0.00 2.06 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.52 1.52 7.81 124 Y 7.97 4.14 0.00 2.95 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 0.00 125 S 7.71 4.28 0.00 4.10 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 0.00 126 K 7.74 4.23 0.00 1.92 1.89 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.37 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.43 7.81 127 C 7.74 4.65 0.00 3.08 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 0.00 128 S 8.18 4.14 0.00 3.79 3.69 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