NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 K 4.3789 8.1733 120.0854 55.6419 34.7316 174.4941 16 K 4.8688 7.9857 118.7674 54.1787 35.7667 173.8548 17 R 4.6238 9.0709 120.6870 54.8732 35.4446 173.4979 18 Y 5.3102 8.8608 119.6682 56.0906 41.2902 174.6914 19 I 4.8872 8.9678 117.1512 59.0127 40.5907 174.3057 20 A 5.0089 8.8052 129.0453 50.9644 20.5130 176.0080 21 F 5.3315 8.5511 115.4701 55.1672 42.1694 173.3544 22 K 5.0139 9.0311 120.6020 54.5396 35.8215 174.9122 23 V 4.9978 8.4355 125.0440 60.1044 33.7819 175.1626 24 I 4.4194 8.9361 126.3072 60.3025 38.2138 174.5986 25 S 4.7789 8.3299 120.4432 56.9673 65.2522 173.6628 26 E 4.0614 8.9638 123.5674 57.9906 29.5756 175.7417 27 N 4.9555 7.4643 113.3230 50.2720 40.3688 173.5908 28 Q 4.3143 8.0083 117.0900 55.7896 29.5162 175.7451 29 F 5.3260 8.5562 117.2611 56.0535 43.2785 174.1984 30 N 5.3296 8.5438 119.7630 51.3138 39.5087 176.0785 31 K 4.0579 8.7664 118.8276 60.1161 32.0976 178.6515 32 D 4.3188 8.1992 118.2854 57.6210 40.7403 178.9048 33 E 3.8695 8.2584 119.0787 59.4863 29.5741 179.5590 34 I 3.4190 7.3175 112.4547 63.3643 37.4440 177.9057 35 K 3.7123 7.9268 121.7704 59.2995 32.0213 178.2597 36 E 3.8867 8.0719 119.1959 59.1996 29.4990 178.2614 37 A 3.9178 7.9126 120.7853 55.6163 18.2745 179.5012 38 I 3.4918 7.9923 118.3282 64.3632 37.0572 178.4423 39 W 3.8847 7.9853 128.8593 60.5616 30.6530 177.6569 40 N 4.2413 8.5472 116.2305 56.3729 37.9747 177.1236 41 A 3.9098 8.2338 122.2282 55.6338 18.4849 179.6306 42 C 4.0581 7.6538 115.0448 62.5126 28.0715 176.5137 43 L 3.6968 7.6222 120.7896 57.7194 41.0158 179.6640 44 R 3.8736 7.9203 116.7857 59.6381 30.1210 179.0836 45 T 4.1149 7.6790 113.9606 66.1526 69.0953 176.3908 46 L 4.3843 8.2685 119.6062 53.0601 42.3727 177.5681 47 G 4.2971 7.6734 106.6902 45.0438 0.0000 174.5209 48 E 3.8071 8.5365 118.0238 59.1793 29.3196 179.5877 49 L 3.9637 7.8313 119.7697 58.1089 42.2405 178.8869 50 G 3.9423 7.8832 106.4304 47.6101 0.0000 175.3951 51 T 3.6733 8.1197 118.4448 66.1732 68.1646 176.4653 52 A 3.9701 7.6156 121.5710 55.1360 18.4259 179.6085 53 K 4.0218 7.7397 115.7536 59.4984 32.4669 179.2629 54 A 3.9830 8.1793 121.2314 52.6608 19.2450 177.0293 55 K 3.6499 8.1744 115.8734 57.1513 29.8927 172.5897 56 P 4.9711 0.0000 0.0000 62.0246 32.7576 177.2697 57 W 5.5134 9.4390 134.6586 55.7749 34.2023 174.0846 58 L 4.6802 7.7887 129.5881 53.7937 40.3150 175.7794 59 I 3.9106 8.2060 118.5398 63.2631 38.4067 176.6180 60 K 4.7218 7.8805 122.2572 54.8063 35.8496 174.7043 61 F 5.1514 8.6775 127.6234 56.4744 41.3872 174.1553 62 D 4.2301 8.7936 129.6015 53.2110 39.6107 176.2144 63 E 3.8167 8.3272 126.5689 59.3055 29.9437 179.1898 64 T 3.9277 7.7877 112.8254 64.9508 67.3901 175.1985 65 T 4.3371 7.8251 107.5551 60.4637 69.7824 174.4003 66 Q 3.1346 7.4345 120.3342 57.8714 26.9434 172.9307 67 T 4.6173 6.3717 112.6587 62.0080 73.8195 174.7317 68 G 4.2467 7.1246 109.0733 46.0289 0.0000 172.1021 69 I 5.3319 8.8907 120.3015 59.4456 41.0741 175.2305 70 I 5.0029 8.7892 125.2353 59.6329 41.1673 174.3660 71 R 5.0860 9.3271 126.1828 54.9762 32.9302 174.7172 72 S 5.2582 8.3566 117.5477 57.4816 67.0178 173.0356 73 D 4.5381 9.0123 121.3833 54.5694 41.3499 177.3613 74 R 3.7434 8.5795 125.6894 59.3489 30.1193 176.7969 75 N 4.7449 8.4355 112.7510 53.4913 38.7884 174.8273 76 H 5.0549 8.2774 114.6436 54.8925 30.8367 175.4296 77 V 3.4094 7.9856 120.9907 66.5281 31.2097 177.3546 78 Y 4.4208 7.5616 114.1735 59.8360 37.7531 177.3173 79 D 4.5510 8.0438 120.6522 56.6357 41.3574 178.7954 80 V 3.6443 7.6523 118.4118 65.6920 31.5557 178.0857 81 I 3.6423 7.8782 119.6859 64.4394 36.8448 177.8094 82 F 3.9223 8.0674 120.0742 61.8430 39.0729 177.2383 83 S 4.3171 8.2351 114.4502 61.5718 62.6699 176.6533 84 L 3.9926 7.9630 121.6892 57.9608 41.0545 179.6852 85 T 3.8516 7.7433 115.1584 66.3251 68.4411 175.9886 86 L 4.3187 7.0691 116.8352 54.6075 41.7360 177.2312 87 V 3.5850 7.1464 119.6829 62.8181 30.5367 175.8228 88 S 4.1905 8.5825 122.9280 60.4340 62.6739 173.4538 89 D 4.8700 7.5944 116.5473 51.4247 42.3910 174.9663 90 I 4.1106 7.9260 118.9410 60.3670 39.1896 173.7582 91 N 4.1718 8.9665 128.7567 54.7361 36.4382 175.8961 92 G 4.0638 8.5171 107.1730 45.1819 0.0000 174.0468 93 N 4.7555 7.7750 117.9274 51.2830 39.3280 174.5842 94 K 4.1352 8.7205 124.7120 57.0836 32.7499 175.3356 95 A 4.8660 7.7616 124.2770 51.3470 22.7449 175.3505 96 I 4.6978 8.4715 112.8899 59.0118 41.4858 174.1258 97 I 5.1112 8.3776 123.4747 59.1248 40.4057 174.3822 98 K 4.7669 8.8666 128.4776 54.9147 35.4481 176.2887 99 V 4.2733 8.4609 116.2669 61.5634 32.2374 176.1513 100 L 4.4043 9.5034 123.5498 53.8683 42.7527 177.2300 101 G 3.5735 6.6588 110.9469 44.8246 0.0000 171.7081 102 V 4.5739 7.1569 113.9473 59.8831 34.1237 175.1024 103 S 4.6035 8.5195 113.7398 57.5658 65.2065 175.9236 104 G 3.6670 8.6918 113.5672 47.7878 0.0000 174.7906 105 T 4.6590 7.4726 109.7104 59.3014 72.5245 175.7023 106 I 3.4911 7.6645 121.7190 64.1217 37.0955 178.4767 107 K 3.8602 7.9211 120.0451 59.6292 31.7843 178.6051 108 R 3.9280 7.8597 118.4729 59.1442 28.4024 178.3322 109 L 4.2165 7.7982 119.8440 58.0364 42.2142 178.7214 110 K 3.9191 8.8606 120.1633 59.2277 32.0367 177.2546 111 R 4.1752 8.0627 119.8603 57.7461 29.4761 177.0840 112 K 3.6861 7.0148 122.7062 58.3208 33.2015 177.3812 113 F 4.8443 8.0760 115.1091 59.1422 42.8762 176.0985 114 L 4.3817 7.7959 118.7678 57.4666 41.7237 179.4955 115 S 5.1325 8.4523 112.4385 61.0579 62.7422 174.6760 116 Q 4.5138 7.9889 117.3149 56.0268 29.0542 175.0639 117 F 4.6927 8.5734 118.5126 57.5937 42.6124 174.4245 118 G 4.0044 9.0157 107.3365 46.8171 0.0000 173.4387 119 W 4.8264 7.8612 118.0427 54.8288 32.7653 176.6281 120 R 4.2647 8.4836 115.7502 57.0667 28.2547 174.6621 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 15 K 8.17 4.38 0.00 1.73 1.90 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 16 K 7.99 4.87 0.00 1.57 1.34 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.46 7.81 17 R 9.07 4.62 0.00 1.54 1.63 0.00 3.22 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 18 Y 8.86 5.31 0.00 2.92 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 19 I 8.97 4.89 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.80 0.00 0.00 20 A 8.81 5.01 0.97 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 21 F 8.55 5.33 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 9.03 5.01 0.00 1.62 1.65 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.28 7.81 23 V 8.44 5.00 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 1.16 0.00 0.00 1.27 0.00 0.00 24 I 8.94 4.42 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.97 0.00 0.00 25 S 8.33 4.78 0.00 4.09 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.96 4.06 0.00 1.95 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 2.29 2.34 0.00 27 N 7.46 4.96 0.00 2.61 2.63 0.00 0.00 6.06 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 28 Q 8.01 4.31 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 29 F 8.56 5.33 0.00 3.27 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 30 N 8.54 5.33 0.00 3.07 3.02 0.00 0.00 7.13 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 31 K 8.77 4.06 0.00 1.93 1.92 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.70 1.74 7.81 32 D 8.20 4.32 0.00 2.75 2.71 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 33 E 8.26 3.87 0.00 2.23 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 2.34 2.51 0.00 34 I 7.32 3.42 1.51 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.57 0.41 0.00 0.00 35 K 7.93 3.71 0.00 1.77 1.93 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.24 7.81 36 E 8.07 3.89 0.00 2.05 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 2.32 2.36 0.00 37 A 7.91 3.92 1.20 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 38 I 7.99 3.49 1.98 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.85 0.87 0.00 0.00 39 W 7.99 3.88 0.00 3.57 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 40 N 8.55 4.24 0.00 2.77 2.88 0.00 0.00 7.02 7.50 0.00 0.00 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 A 8.23 3.91 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 42 C 7.65 4.06 0.00 2.66 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 43 L 7.62 3.70 0.00 1.67 1.58 0.62 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.92 3.87 0.00 1.71 1.97 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 45 T 7.68 4.11 4.36 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 1.44 0.00 0.00 46 L 8.27 4.38 0.00 1.69 1.59 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.67 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.54 3.81 0.00 1.98 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 2.38 2.32 0.00 49 L 7.83 3.96 0.00 1.67 1.60 0.89 0.99 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 50 G 7.88 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 51 T 8.12 3.67 4.10 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 0.69 0.00 0.00 52 A 7.62 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.74 4.02 0.00 1.62 1.78 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.60 7.81 54 A 8.18 3.98 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 55 K 8.17 3.65 0.00 1.94 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.54 7.81 56 P 0.00 4.97 0.00 2.09 2.03 0.00 3.76 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 1.93 2.05 0.00 57 W 9.44 5.51 0.00 3.29 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 58 L 7.79 4.68 0.00 1.46 1.15 0.79 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.21 3.91 2.00 0.00 0.00 1.00 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 0.83 1.20 0.00 0.00 60 K 7.88 4.72 0.00 1.96 1.96 0.00 1.67 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.48 7.81 61 F 8.68 5.15 0.00 3.04 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 62 D 8.79 4.23 0.00 2.33 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.33 3.82 0.00 1.95 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 0.00 2.62 2.41 0.00 64 T 7.79 3.93 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 1.18 0.00 0.00 65 T 7.83 4.34 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 66 Q 7.43 3.13 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 67 T 6.37 4.62 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 0.54 0.00 0.00 68 G 7.12 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.89 5.33 1.94 0.00 0.00 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 0.89 0.84 1.08 0.00 0.00 70 I 8.79 5.00 1.93 0.00 0.00 0.54 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 0.94 0.97 0.00 0.00 71 R 9.33 5.09 0.00 1.99 1.95 0.00 3.10 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.07 0.00 72 S 8.36 5.26 0.00 4.01 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 73 D 9.01 4.54 0.00 2.81 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 74 R 8.58 3.74 0.00 1.82 1.93 0.00 3.29 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 75 N 8.44 4.74 0.00 2.65 2.67 0.00 0.00 6.79 7.75 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 76 H 8.28 5.05 0.00 3.09 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.99 3.41 1.61 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 0.52 0.00 0.00 0.80 0.00 0.00 78 Y 7.56 4.42 0.00 3.11 3.02 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 0.00 0.00 0.00 79 D 8.04 4.55 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.65 3.64 2.14 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 1.02 0.00 0.00 0.96 0.00 0.00 81 I 7.88 3.64 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.47 1.00 0.00 0.00 82 F 8.07 3.92 0.00 3.24 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.32 0.00 4.07 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 84 L 7.96 3.99 0.00 1.71 1.56 0.71 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.74 3.85 4.11 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 1.10 0.00 0.00 86 L 7.07 4.32 0.00 1.69 1.62 0.69 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.15 3.58 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 0.67 0.00 0.00 0.89 0.00 0.00 88 S 8.58 4.19 0.00 3.87 3.80 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 89 D 7.59 4.87 0.00 2.90 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 90 I 7.93 4.11 1.62 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.72 0.40 0.00 0.00 91 N 8.97 4.17 0.00 2.91 3.01 0.00 0.00 7.13 8.05 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 92 G 8.52 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 0.00 0.00 0.00 93 N 7.78 4.76 0.00 3.15 3.02 0.00 0.00 6.46 8.11 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 94 K 8.72 4.14 0.00 1.75 1.78 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 95 A 7.76 4.87 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.47 4.70 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.22 0.93 0.00 0.00 97 I 8.38 5.11 1.93 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 0.83 0.00 0.00 98 K 8.87 4.77 0.00 1.87 1.89 0.00 1.41 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.43 7.81 99 V 8.46 4.27 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 0.72 0.00 0.00 0.95 0.00 0.00 100 L 9.50 4.40 0.00 1.39 1.80 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 101 G 6.66 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.16 4.57 1.97 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 0.56 0.00 0.00 0.91 0.00 0.00 103 S 8.52 4.60 0.00 3.98 3.77 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 0.00 104 G 8.69 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 0.00 105 T 7.47 4.66 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 106 I 7.66 3.49 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.36 0.81 0.00 0.00 107 K 7.92 3.86 0.00 1.78 1.81 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.46 7.81 108 R 7.86 3.93 0.00 1.92 2.08 0.00 3.37 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 109 L 7.80 4.22 0.00 2.01 1.90 0.83 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.86 3.92 0.00 1.93 1.98 0.00 2.26 0.00 0.00 1.91 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.60 7.81 111 R 8.06 4.18 0.00 2.15 1.88 0.00 3.21 0.00 0.00 3.15 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 112 K 7.01 3.69 0.00 0.89 0.88 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 1.29 7.81 113 F 8.08 4.84 0.00 2.96 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 0.00 114 L 7.80 4.38 0.00 1.59 0.91 -0.82 0.23 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 0.00 115 S 8.45 5.13 0.00 4.01 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 0.00 116 Q 7.99 4.51 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.64 0.00 117 F 8.57 4.69 0.00 3.33 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 0.00 118 G 9.02 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 0.00 0.00 0.00 119 W 7.86 4.83 0.00 3.52 3.13 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 0.00 120 R 8.48 4.26 0.00 1.90 1.88 0.00 3.20 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00