NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 5.2026 8.5598 115.3826 59.1910 62.9427 172.2401 13 F 4.6465 7.6085 120.6472 55.9406 40.6530 171.2644 14 K 5.1201 9.4067 119.4904 55.2097 35.4021 176.7641 15 I 5.2890 8.7178 122.7507 59.6988 40.8843 174.2660 16 A 4.9938 8.5496 128.6503 50.6410 20.6699 175.5652 17 F 4.8433 9.4081 125.7315 56.5372 41.7803 174.3792 18 I 4.8957 8.6878 129.4264 60.1016 38.3846 174.9828 19 Q 5.1649 9.1859 126.0546 54.0443 31.1921 175.1546 20 A 4.6084 8.7500 125.2644 52.2687 18.8430 177.5332 21 R 4.3649 8.6806 118.6342 56.6405 31.3553 177.2802 22 W 4.1155 7.8629 128.7170 58.7259 31.1905 175.1249 23 H 3.5691 8.2591 121.8198 56.4843 25.7504 176.6698 24 A 3.9361 8.1170 123.4100 55.5952 17.7530 179.2782 25 D 4.3170 7.9283 116.1256 56.6230 39.4367 178.7462 26 I 3.2789 7.4718 120.8152 63.7486 37.1898 178.1628 27 V 3.5577 7.2987 118.4072 66.3512 31.2200 177.2953 28 D 4.3634 8.6251 118.6986 57.5788 40.7392 178.4478 29 E 3.9478 8.1809 119.3907 59.4007 29.4841 178.9138 30 A 4.2702 8.4455 120.9520 55.0534 18.4690 179.6402 31 R 3.1391 8.0083 116.7838 59.2268 30.2392 178.5001 32 K 3.8226 8.0021 118.3049 59.7362 32.1230 179.2153 33 S 4.0908 7.9916 112.8642 61.1758 62.2904 175.9614 34 F 4.1840 8.3503 123.5019 61.4075 39.2428 177.3255 35 V 3.4663 8.2643 118.1122 65.6993 31.2581 177.8882 36 A 3.8898 7.8933 120.4506 55.2856 18.2444 179.3870 37 E 3.8774 8.0562 117.0100 59.5777 29.2879 179.5892 38 L 3.7517 7.7544 118.6780 57.6041 41.5482 179.5894 39 A 3.8968 7.8952 120.3102 55.1094 18.1528 179.0963 40 A 3.8900 8.0672 118.2114 55.7053 18.5758 179.9193 41 K 4.1294 8.3013 115.6041 58.4514 32.2338 177.9355 42 T 4.3777 7.5975 106.4797 60.3671 69.5848 174.1939 43 G 4.1580 8.4290 119.2632 43.0382 0.0000 173.8701 44 G 4.7067 7.2668 110.9931 44.6856 0.0000 173.8380 45 S 4.1644 7.3845 114.4911 59.1515 64.2907 173.5289 46 V 4.4532 7.4224 120.7555 60.1101 33.2749 174.2102 47 E 4.6615 8.6189 126.4056 54.7632 32.1737 174.7660 48 V 4.9735 8.3550 122.1136 61.5871 33.3213 174.4108 49 E 4.7356 9.2156 127.4074 54.9235 31.8143 174.8605 50 I 4.9817 8.0520 124.1301 59.8200 39.3467 175.0015 51 F 4.9010 9.8367 124.9701 55.8672 42.1861 174.1259 52 D 5.5248 8.9092 123.0246 53.3372 42.8904 176.2253 53 V 4.4025 8.2420 119.7439 59.8576 34.8941 173.4498 54 P 4.2851 0.0000 0.0000 65.4048 32.0370 176.4828 55 G 4.1896 8.5469 105.2699 42.8890 0.0000 172.7579 56 A 4.0158 8.6298 119.5995 55.3903 17.9726 179.1197 57 Y 3.9996 7.9980 116.3393 60.2646 39.1443 177.1361 58 E 4.2692 8.1591 118.2561 57.3096 29.7407 178.5019 59 I 3.7359 7.7688 121.3258 63.8993 37.1409 176.1710 60 P 4.1355 0.0000 0.0000 65.7144 31.0697 178.4339 61 L 3.8794 7.7280 118.4300 58.0316 42.0588 178.2709 62 H 3.9209 7.8375 116.7201 59.1010 29.8303 176.8089 63 A 3.8300 8.0585 122.8329 55.1973 18.0708 179.4583 64 K 3.7851 8.1493 117.9887 59.9614 32.0292 179.0864 65 T 3.7990 7.8213 114.9741 66.5180 68.5817 176.4440 66 L 4.0301 7.8055 120.4701 57.8352 41.5448 179.1006 67 A 4.0223 8.4652 120.9787 55.5998 18.0432 179.5039 68 R 4.0131 8.1154 115.5800 58.7232 30.2453 178.0240 69 T 4.0994 7.9758 108.4623 62.4825 69.0241 175.8567 70 G 3.9746 7.8418 108.9545 46.2176 0.0000 175.0869 71 R 3.8610 7.6662 117.8840 57.8300 30.3087 176.2780 72 Y 5.0119 7.6220 113.9803 56.0964 40.4307 175.4074 73 A 4.3944 8.9427 124.4107 53.5123 19.7004 177.3658 74 A 4.5974 7.5675 114.0408 51.3290 22.5028 175.2701 75 I 4.8865 8.3532 120.9455 59.3827 41.0229 174.7800 76 V 4.5190 8.7451 126.1149 60.8331 34.3526 174.2654 77 G 4.2287 8.5572 114.5684 44.2145 0.0000 171.6908 78 A 5.2138 8.6213 127.0468 50.2142 22.3994 174.6370 79 A 4.8591 9.0743 122.1535 51.2089 23.6504 174.7351 80 F 5.2719 9.0021 121.3857 56.5336 41.7612 174.6627 81 V 4.1636 8.1297 126.6417 60.9925 33.5160 174.4539 82 I 3.7565 8.3124 129.7566 60.1559 38.1653 174.1528 83 D 4.6181 7.5644 131.5542 53.8537 42.2341 176.3409 84 G 3.7558 9.0713 113.8953 44.5889 0.0000 174.4667 85 G 3.9531 8.7942 109.0037 44.7282 0.0000 173.2725 86 I 3.8693 8.3235 120.3337 63.8031 37.3631 175.9181 87 Y 4.2497 7.3650 115.9820 55.8343 39.0092 174.9736 88 D 4.3930 8.6557 124.5248 54.8559 41.6159 175.3197 89 H 4.8943 8.5484 120.5105 55.0374 30.7172 175.3934 90 D 4.2807 7.8391 120.4570 56.2195 39.0796 178.2421 91 F 4.2982 7.6754 118.8865 60.5109 38.9101 177.5565 92 V 3.6496 7.9236 116.8795 66.0168 31.4416 177.3415 93 A 3.9841 7.5934 120.3850 55.8120 18.1200 179.6917 94 T 3.7810 8.3381 113.9245 66.8705 68.5836 176.7382 95 A 4.0393 8.0503 122.5522 55.0767 18.3582 179.9558 96 V 3.4577 8.0163 116.8221 66.2919 31.5611 178.4775 97 I 3.7695 7.9939 119.6981 64.1588 36.9132 178.2647 98 N 4.4529 8.3033 117.8176 56.1837 38.4721 177.6990 99 G 3.5917 8.3647 107.5639 48.0648 0.0000 175.6937 100 M 4.0696 8.1935 120.9824 58.2139 31.9933 178.5120 101 M 3.9880 7.7788 118.7188 58.6142 32.3388 178.0273 102 Q 3.9458 8.1647 119.7784 59.1756 29.0943 178.5320 103 V 3.5906 7.7440 119.5101 65.8443 31.5374 177.9685 104 Q 4.0229 8.0912 117.2728 58.8621 28.3988 178.2470 105 L 3.9882 7.6661 120.2710 57.1789 41.6729 178.4125 106 E 4.1407 7.7527 118.7229 58.6385 29.8301 177.8215 107 T 4.2378 8.1282 108.3012 61.2817 69.5863 175.1674 108 E 3.8202 8.0833 119.3125 56.9005 27.2899 173.5093 109 V 4.3879 7.1651 118.7158 60.2241 33.3911 173.8209 110 P 4.3147 0.0000 0.0000 63.1623 32.4374 175.0902 111 V 4.7599 8.3849 123.9180 61.1675 33.4452 174.5734 112 L 4.6380 8.8115 128.6012 53.3014 43.9200 175.4018 113 S 4.8206 8.4753 117.9013 56.2978 63.7226 174.1077 114 V 4.3302 8.6939 128.9307 62.5731 31.4413 176.0090 115 V 4.6940 7.6944 120.8306 61.5133 32.3696 174.6872 116 L 4.6560 8.6080 128.3816 53.3582 44.0181 176.1765 117 T 4.9275 8.5150 119.1783 59.7960 70.5923 172.1500 118 P 4.5579 0.0000 0.0000 62.2668 32.3626 177.3632 119 H 4.1381 9.0284 116.9445 57.6496 29.0900 174.4828 120 H 5.0134 7.9931 129.7167 56.2660 29.5930 173.4716 121 F 4.9343 7.9967 118.9637 57.0070 39.3957 176.8598 121A H 3.9377 8.2701 119.8785 56.4546 30.3507 172.2873 121B E 3.1445 6.2041 119.3486 54.5888 33.0370 176.2328 121C S 4.6756 9.1976 116.3528 57.8994 62.8547 171.8116 122 K 4.1876 8.7236 126.4955 59.8853 32.6117 177.7921 123 E 4.0027 8.6432 120.2277 60.0592 29.2853 179.0045 124 H 4.3902 9.2833 115.8707 58.9564 29.2098 177.1257 125 H 4.1536 8.6376 119.5737 59.7356 29.5559 176.4182 126 D 4.5414 8.0773 119.5854 56.4164 40.7037 178.3984 127 F 4.3634 7.5431 118.6000 61.3807 39.3871 176.9770 128 F 4.2141 8.0518 117.5998 61.0272 38.8590 177.5569 129 H 4.0380 8.3550 115.4052 58.6143 28.5623 177.6497 130 A 4.0043 8.0036 122.3901 55.4773 18.2711 178.8645 131 H 4.0240 8.4245 116.9687 59.7763 29.8881 177.3406 132 F 3.7329 8.7131 119.5104 60.3096 38.4711 177.5337 133 K 4.0130 7.9060 118.2170 59.3590 32.2457 178.8798 134 V 3.7223 7.7468 118.2734 66.1145 31.4997 178.1087 135 K 3.9363 8.1241 118.4204 59.5204 31.6832 179.5440 136 G 3.7163 8.2335 106.0206 47.6459 0.0000 176.1017 137 V 3.5671 7.9307 120.5784 65.7444 31.5043 177.8721 138 E 3.9838 8.2262 117.6593 59.5350 29.3066 178.9135 139 A 4.0756 8.3895 120.6358 55.2704 18.4055 179.6332 140 A 3.9075 7.9857 118.7712 55.6627 18.4196 179.4201 141 H 4.1743 8.1125 114.5334 59.0032 28.6856 177.7825 142 A 3.9971 8.4533 122.3968 55.1964 18.2322 179.2052 143 A 4.0601 8.4762 119.5946 55.5960 18.5291 179.8871 144 L 4.1137 8.0681 117.1171 58.0623 41.6704 179.5281 145 Q 3.9833 8.2928 119.5319 59.2945 29.0279 178.2335 146 I 3.7006 8.1108 119.9160 64.0353 37.9898 177.9991 147 V 3.4943 8.0833 119.3953 65.8624 30.7453 178.0418 148 S 4.0656 8.0297 112.8826 61.3458 61.9487 175.7945 149 E 3.9915 8.5073 122.3033 59.2001 29.1137 178.9535 150 R 3.9912 7.9411 117.8823 58.8168 30.2400 178.6383 151 S 4.2844 7.7157 112.6640 61.3424 63.3762 175.7832 152 R 4.1068 7.7443 122.8195 58.1131 29.5761 177.7746 153 I 3.7052 7.5947 113.0066 62.6736 37.8568 176.5123 154 A 4.3831 8.1873 128.3461 52.5669 19.0851 176.9201 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 12 S 8.56 5.20 0.00 3.92 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 13 F 7.61 4.65 0.00 3.22 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 14 K 9.41 5.12 0.00 1.98 2.08 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.53 7.81 15 I 8.72 5.29 2.18 0.00 0.00 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 1.49 1.40 1.29 0.00 0.00 16 A 8.55 4.99 0.32 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 17 F 9.41 4.84 0.00 3.19 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 18 I 8.69 4.90 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 0.89 0.00 0.00 19 Q 9.19 5.16 0.00 2.24 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 20 A 8.75 4.61 1.38 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 0.00 0.00 0.00 21 R 8.68 4.36 0.00 1.79 2.03 0.00 3.56 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 22 W 7.86 4.12 0.00 3.29 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 23 H 8.26 3.57 0.00 3.20 2.95 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.12 3.94 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 25 D 7.93 4.32 0.00 2.81 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 26 I 7.47 3.28 1.07 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 0.69 -0.03 -0.79 0.00 0.00 27 V 7.30 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 1.36 0.00 0.00 0.97 0.00 0.00 28 D 8.63 4.36 0.00 2.73 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 29 E 8.18 3.95 0.00 2.14 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 0.00 2.58 2.44 0.00 30 A 8.45 4.27 1.70 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 0.00 0.00 31 R 8.01 3.14 0.00 1.55 1.93 0.00 3.02 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.00 32 K 8.00 3.82 0.00 1.99 1.84 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.68 7.81 33 S 7.99 4.09 0.00 4.01 4.14 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 34 F 8.35 4.18 0.00 3.37 3.08 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 0.00 0.00 0.00 35 V 8.26 3.47 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 0.90 0.00 0.00 0.90 0.00 0.00 36 A 7.89 3.89 1.38 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 0.00 0.00 0.00 37 E 8.06 3.88 0.00 2.07 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 2.29 2.44 0.00 38 L 7.75 3.75 0.00 1.59 1.51 0.78 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.90 3.90 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 40 A 8.07 3.89 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 41 K 8.30 4.13 0.00 1.86 1.86 0.00 1.54 0.00 0.00 2.03 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.49 7.81 42 T 7.60 4.38 4.14 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 1.16 0.00 0.00 43 G 8.43 4.16 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 0.00 44 G 7.27 4.71 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 0.00 45 S 7.38 4.16 0.00 3.85 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 0.00 46 V 7.42 4.45 1.81 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 0.53 0.00 0.00 0.19 0.00 0.00 47 E 8.62 4.66 0.00 2.09 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 2.28 2.34 0.00 48 V 8.36 4.97 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 1.10 0.00 0.00 1.08 0.00 0.00 49 E 9.22 4.74 0.00 2.31 1.80 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 2.36 2.53 0.00 50 I 8.05 4.98 1.80 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 1.27 0.43 0.98 0.00 0.00 51 F 9.84 4.90 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 52 D 8.91 5.52 0.00 2.60 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 53 V 8.24 4.40 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 0.76 0.00 0.00 0.69 0.00 0.00 54 P 0.00 4.29 0.00 2.26 2.18 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 55 G 8.55 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 56 A 8.63 4.02 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 57 Y 8.00 4.00 0.00 2.81 2.95 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 58 E 8.16 4.27 0.00 2.28 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 2.32 2.41 0.00 59 I 7.77 3.74 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.92 0.82 0.00 0.00 60 P 0.00 4.14 0.00 2.00 2.01 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 61 L 7.73 3.88 0.00 1.68 1.61 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.84 3.92 0.00 3.48 3.20 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.06 3.83 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 64 K 8.15 3.79 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 65 T 7.82 3.80 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 1.14 0.00 0.00 66 L 7.81 4.03 0.00 1.39 1.33 -0.24 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.47 4.02 1.38 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 0.00 0.00 0.00 68 R 8.12 4.01 0.00 1.97 1.96 0.00 3.30 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 69 T 7.98 4.10 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 1.37 0.00 0.00 70 G 7.84 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 71 R 7.67 3.86 0.00 0.88 1.27 0.00 2.91 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 72 Y 7.62 5.01 0.00 2.99 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 73 A 8.94 4.39 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 74 A 7.57 4.60 1.29 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 0.00 0.00 75 I 8.35 4.89 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.80 0.77 0.00 0.00 76 V 8.75 4.52 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 0.17 0.00 0.00 0.75 0.00 0.00 77 G 8.56 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 0.00 0.00 0.00 78 A 8.62 5.21 1.10 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 0.00 0.00 79 A 9.07 4.86 1.29 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 0.00 0.00 80 F 9.00 5.27 0.00 2.70 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 81 V 8.13 4.16 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 0.77 0.00 0.00 0.91 0.00 0.00 82 I 8.31 3.76 1.80 0.00 0.00 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 1.24 1.63 1.25 0.00 0.00 83 D 7.56 4.62 0.00 2.67 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 84 G 9.07 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 85 G 8.79 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 86 I 8.32 3.87 1.95 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 1.56 0.94 0.76 0.00 0.00 87 Y 7.37 4.25 0.00 2.90 2.84 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 88 D 8.66 4.39 0.00 2.67 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 89 H 8.55 4.89 0.00 3.25 3.19 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.84 4.28 0.00 2.74 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 91 F 7.68 4.30 0.00 3.16 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 92 V 7.92 3.65 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 1.17 0.00 0.00 0.83 0.00 0.00 93 A 7.59 3.98 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 94 T 8.34 3.78 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 95 A 8.05 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.46 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 0.98 0.00 0.00 1.03 0.00 0.00 97 I 7.99 3.77 1.94 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 1.48 0.51 0.88 0.00 0.00 98 N 8.30 4.45 0.00 2.95 2.84 0.00 0.00 6.81 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 99 G 8.36 3.59 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 0.00 0.00 0.00 100 M 8.19 4.07 0.00 2.02 2.06 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 2.66 2.46 0.00 101 M 7.78 3.99 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 102 Q 8.16 3.95 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 103 V 7.74 3.59 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 1.06 0.00 0.00 0.97 0.00 0.00 104 Q 8.09 4.02 0.00 2.51 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 105 L 7.67 3.99 0.00 1.80 1.75 0.91 0.86 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 0.00 106 E 7.75 4.14 0.00 2.04 2.16 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 2.28 2.29 0.00 107 T 8.13 4.24 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 1.22 0.00 0.00 108 E 8.08 3.82 0.00 2.15 2.13 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 2.21 2.22 0.00 109 V 7.17 4.39 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 0.85 0.00 0.00 0.99 0.00 0.00 110 P 0.00 4.31 0.00 2.11 1.97 0.00 3.77 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 2.09 2.08 0.00 111 V 8.38 4.76 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 0.69 0.00 0.00 0.93 0.00 0.00 112 L 8.81 4.64 0.00 1.61 1.51 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.48 4.82 0.00 3.81 3.70 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 0.00 114 V 8.69 4.33 1.92 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 0.75 0.00 0.00 0.79 0.00 0.00 115 V 7.69 4.69 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 0.82 0.00 0.00 0.93 0.00 0.00 116 L 8.61 4.66 0.00 1.82 1.64 0.79 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.52 4.93 4.14 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 1.10 0.00 0.00 118 P 0.00 4.56 0.00 2.39 2.17 0.00 3.32 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.08 0.00 119 H 9.03 4.14 0.00 3.32 3.55 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 7.99 5.01 0.00 3.35 3.44 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.00 4.93 0.00 4.07 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 121A H 8.27 3.94 0.00 2.98 3.08 0.00 5.92 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121B E 6.20 3.14 0.00 2.05 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 2.02 1.85 0.00 121C S 9.20 4.68 0.00 3.94 4.13 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 0.00 122 K 8.72 4.19 0.00 1.97 2.07 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.48 7.81 123 E 8.64 4.00 0.00 2.18 2.13 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 2.36 2.55 0.00 124 H 9.28 4.39 0.00 3.47 3.85 0.00 5.84 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 0.00 125 H 8.64 4.15 0.00 3.31 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.08 4.54 0.00 2.85 2.74 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 0.00 127 F 7.54 4.36 0.00 2.94 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 0.00 128 F 8.05 4.21 0.00 2.96 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 0.00 129 H 8.36 4.04 0.00 3.25 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.00 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.42 4.02 0.00 2.87 3.28 0.00 5.62 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 0.00 132 F 8.71 3.73 0.00 3.24 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 0.00 133 K 7.91 4.01 0.00 1.98 2.08 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 134 V 7.75 3.72 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 0.98 0.00 0.00 0.96 0.00 0.00 135 K 8.12 3.94 0.00 1.46 1.61 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 1.26 7.81 136 G 8.23 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 0.00 137 V 7.93 3.57 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 0.96 0.00 0.00 1.02 0.00 0.00 138 E 8.23 3.98 0.00 2.25 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 2.44 2.55 0.00 139 A 8.39 4.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.91 0.95 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 0.00 141 H 8.11 4.17 0.00 3.39 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.45 4.00 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 0.00 143 A 8.48 4.06 1.63 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 0.00 0.00 144 L 8.07 4.11 0.00 1.96 1.82 0.93 0.84 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 0.00 145 Q 8.29 3.98 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 146 I 8.11 3.70 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 1.03 0.00 0.00 147 V 8.08 3.49 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 0.06 0.00 0.00 0.85 0.00 0.00 148 S 8.03 4.07 0.00 4.01 4.09 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 0.00 0.00 0.00 0.00 149 E 8.51 3.99 0.00 2.30 1.92 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 2.31 2.39 0.00 150 R 7.94 3.99 0.00 1.78 1.94 0.00 3.19 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 151 S 7.72 4.28 0.00 3.96 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 0.00 152 R 7.74 4.11 0.00 2.10 1.90 0.00 3.14 0.00 0.00 3.33 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 153 I 7.59 3.71 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.51 0.95 0.00 0.00 154 A 8.19 4.38 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