NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4588 8.3001 120.2712 54.6748 33.7105 174.3855 2 A 3.9951 8.3108 122.0110 51.5080 19.1728 172.3724 3 V 3.8481 8.9968 121.4786 62.4811 32.3876 174.2836 4 N 4.7143 8.8167 125.5713 52.7446 39.4590 174.6192 5 V 4.2540 7.9932 119.6234 61.2757 34.1859 174.4797 6 Y 4.9270 8.6273 124.1432 55.7934 40.8177 176.8653 7 S 4.2493 8.9056 117.1632 61.8752 62.8925 175.9761 8 T 4.2936 7.9013 107.6328 62.2142 69.3105 175.2424 9 S 4.2879 7.8605 119.2915 58.4480 63.3942 173.9719 10 V 3.8312 8.2255 124.2336 62.7215 31.7283 175.2598 11 T 4.6620 8.0141 115.8570 59.3996 71.9859 173.1940 12 S 4.2862 8.2464 117.6799 58.0778 63.3914 174.2300 13 D 4.4776 8.3200 121.3488 54.4428 41.0657 176.8293 14 N 4.4996 8.4896 119.1680 53.5580 39.2247 174.5607 15 L 4.7093 8.2082 120.9433 52.9447 43.7892 177.6918 16 S 4.5901 8.4689 116.8092 58.4340 64.8873 175.6478 17 R 4.2709 8.6797 119.8029 59.8171 29.1014 178.5095 18 H 4.1514 8.2520 118.4359 59.3555 29.9921 176.8997 19 D 4.4668 8.5084 120.7778 57.2313 40.6433 178.4690 20 M 4.2309 8.7085 119.3949 58.7921 32.3542 178.2584 21 L 4.0623 8.3733 119.0772 57.7269 41.6663 179.3488 22 A 4.0022 8.1026 120.7527 54.8405 18.3396 179.3916 23 W 4.2243 8.4638 126.8698 60.7213 30.7733 178.2604 24 I 3.2670 7.9681 119.5581 64.4239 36.5915 178.2796 25 N 4.2492 8.6006 117.5572 56.3479 38.1349 177.4729 26 E 3.9965 8.2479 119.3047 59.4092 29.6889 179.2146 27 S 4.2744 7.9190 114.4009 60.4936 62.9663 175.6247 28 L 4.3184 7.3201 118.1369 52.9729 43.1366 176.0674 29 Q 3.3557 7.8420 116.6479 57.3801 25.9365 171.6726 30 L 4.7356 7.5695 116.0286 53.0699 45.2583 176.1750 31 N 5.0388 8.0637 115.5669 52.8137 39.0459 174.4060 32 L 4.2069 8.2220 117.0774 55.3117 42.4685 177.7043 33 T 4.5407 9.0303 111.3187 61.4004 70.4180 174.6167 34 K 4.7132 7.8707 121.3697 53.7202 36.3398 177.0845 35 I 3.8633 8.7257 123.5041 64.7522 37.0464 178.4153 36 E 4.1174 8.5029 118.8008 59.4546 28.9673 178.8448 37 Q 4.1412 8.2512 117.2534 57.6658 28.7676 177.6911 38 L 4.0385 8.0527 120.3150 56.0889 41.4030 178.3285 39 C 4.3995 7.8895 115.0229 60.8935 29.7096 175.5007 40 S 3.4836 7.4377 116.4029 59.0014 62.8319 176.1271 41 G 3.0647 8.0391 110.7292 45.6824 0.0000 175.6018 42 A 3.6132 7.4522 121.2148 54.8698 18.1627 179.4100 43 A 3.7302 7.6013 118.7988 55.4780 18.4394 179.2613 44 Y 4.0647 7.2475 114.5970 61.4050 38.0695 178.3924 45 C 4.1968 7.9428 117.4926 63.0722 28.2234 176.1029 46 Q 4.1279 8.3105 121.0180 59.1959 28.5489 178.1791 47 F 4.3868 8.6172 119.3064 60.8228 38.8754 177.5152 48 M 4.5191 8.8563 118.6320 58.4927 31.6886 178.2169 49 D 4.4818 8.2966 118.0017 57.6116 41.2170 178.0403 50 M 3.4336 7.8138 117.5664 58.2949 32.2160 177.9599 51 L 3.9110 8.0798 118.3613 56.4488 43.2728 177.9960 52 F 4.9794 8.2901 118.3541 54.1657 39.4952 171.1415 53 P 5.0976 0.0000 0.0000 63.6068 31.8228 177.0426 54 G 4.1136 8.8015 110.9319 45.2322 0.0000 174.3051 55 S 4.4620 8.4670 114.5224 59.5409 63.7518 174.0555 56 I 4.6417 7.6227 120.6791 59.4082 39.9684 176.0954 57 A 4.4376 8.2586 127.8719 50.5035 17.1703 177.6717 58 L 4.0457 8.1448 122.9602 57.2268 42.3625 180.1143 59 K 4.0947 8.0991 117.9663 58.7334 32.2443 177.2721 60 K 4.2827 7.9146 116.4715 56.6622 32.6030 177.1057 61 V 3.5406 7.3170 120.0696 62.4288 30.3580 175.8168 62 K 4.2760 8.8321 127.5841 55.0768 31.1097 177.4283 63 F 4.2019 8.5722 123.2888 59.2081 39.2074 176.5285 64 Q 4.6761 7.2819 118.1969 54.9191 29.3394 175.6644 65 A 4.2975 8.1788 120.2607 52.8734 18.8142 178.4681 66 K 4.7846 8.9819 118.4651 55.4016 34.6923 176.4266 67 L 4.4936 7.3530 119.2371 52.0714 44.4456 176.9150 68 E 3.3709 8.4215 123.0454 59.5196 29.5321 178.9273 69 H 4.2998 7.9185 114.5513 58.3427 28.6922 177.3949 70 E 3.8894 7.5741 121.6861 59.3887 29.1862 178.6034 71 Y 4.6563 7.4911 117.6649 60.7609 37.9685 178.7491 72 I 3.8813 8.0068 120.6624 64.4338 37.1740 178.4430 73 Q 4.0352 8.0235 118.4546 59.0950 28.5643 178.6850 74 N 4.2155 8.1708 117.3973 56.4411 38.5672 177.5754 75 F 4.0581 8.4728 119.0126 60.1449 38.9019 177.9456 76 K 4.3984 8.1324 119.9254 58.6981 31.8328 179.3096 77 I 3.6996 7.7484 120.3064 64.3028 37.0142 178.1291 78 L 3.9196 7.7838 121.0206 58.3274 41.3639 179.0140 79 Q 3.9286 8.5188 118.1481 58.8818 28.5566 178.7209 80 A 4.1963 8.3187 122.0190 54.9604 18.3969 179.9471 81 G 3.7260 8.1071 104.2275 48.9788 0.0000 175.8941 82 F 4.4857 8.8677 121.1193 60.1885 38.9516 177.7105 83 K 3.9841 8.5570 119.4425 59.5726 31.8302 178.6980 84 R 3.9487 8.0524 117.7857 59.4264 30.1903 177.3940 85 M 4.3012 8.1755 116.2640 54.2336 31.8804 176.6662 86 G 3.9866 7.7748 106.8800 46.4736 0.0000 174.2105 87 V 3.9108 8.0817 120.7952 62.0465 31.9479 176.5585 88 D 4.7859 9.3268 130.1385 51.4059 38.0121 174.8137 89 K 4.2810 7.4623 123.6543 55.1638 35.5247 175.1285 90 I 4.1882 8.1234 126.7869 60.1141 38.1205 175.1959 91 I 3.9253 8.1449 126.9368 59.9378 38.3408 175.8999 92 P 4.4257 0.0000 0.0000 61.3887 27.9410 176.7437 93 V 2.8041 7.1691 122.8587 66.6291 31.7751 176.4775 94 D 4.3078 7.8457 116.9203 56.3945 39.3961 178.4695 95 K 4.0635 7.7012 119.1615 59.2312 32.3316 179.1131 96 L 3.9390 7.5177 119.2117 57.8259 41.2978 179.6448 97 V 4.1690 7.3990 110.0022 62.9708 31.6620 177.7648 98 K 4.3358 7.8616 117.3938 56.5463 32.1056 177.6079 99 G 3.9526 7.9913 107.2734 46.3123 0.0000 174.3010 100 K 4.3243 7.7985 119.1243 55.2762 34.0636 177.4382 101 F 4.1320 8.8260 125.7361 61.6250 39.4904 177.2645 102 Q 3.9940 8.2595 118.6644 59.2636 28.8798 177.8562 103 D 4.3518 8.0240 119.3815 57.5812 40.9814 178.3959 104 N 4.5318 8.0098 116.7284 56.1551 38.5029 177.3905 105 F 4.3017 8.4914 122.6453 61.0496 39.4120 176.7966 106 E 3.8365 8.4127 119.1936 59.3687 29.4039 178.6863 107 F 4.2850 8.3576 120.9467 61.2599 39.3893 177.5251 108 V 3.9793 8.4093 118.9814 64.7630 31.1293 178.3948 109 Q 3.8129 8.1383 118.9421 58.4425 28.4541 178.5826 110 W 3.9722 7.9404 128.7584 60.4674 30.8019 177.7908 111 F 3.0283 8.4034 120.9573 60.7862 38.7456 176.9050 112 K 3.3496 8.3410 119.6433 59.1584 31.8472 178.9492 113 K 3.6946 7.3353 118.8843 59.1138 31.6876 178.9809 114 F 3.5665 7.3839 121.2395 60.9028 39.0185 176.8102 115 F 3.4931 7.9431 120.2832 61.4026 38.9511 176.8701 116 D 4.2032 8.0199 117.0048 57.1793 40.6153 178.4348 117 A 3.9623 7.5242 120.1531 53.8745 18.4087 177.6664 118 N 4.5330 6.7835 112.2728 53.1062 40.6915 174.5595 119 Y 3.9050 7.3546 120.3122 57.2261 39.0915 174.7727 120 D 4.2802 8.0585 124.8824 52.7570 40.1242 177.1751 121 G 3.4174 5.3800 108.0036 44.7592 0.0000 174.0025 122 K 4.0578 7.5007 118.7461 56.5732 33.0181 176.7943 123 D 4.6682 8.5154 121.0059 54.9156 41.4510 175.3388 124 Y 4.7031 8.3231 122.1718 55.1998 42.0528 174.5945 125 D 4.6002 7.6143 125.7574 51.8524 42.2725 174.8078 126 P 4.1382 0.0000 0.0000 65.1754 31.9773 178.3495 127 V 3.5207 7.5948 117.7201 65.8700 31.4039 177.7570 128 A 3.9297 9.0162 120.7272 54.7478 17.9097 179.0275 129 A 4.0211 7.6125 118.0148 53.9890 18.7256 178.8461 130 R 3.8594 7.2734 114.5678 55.4125 30.4112 176.5374 131 Q 3.9587 7.4661 123.5425 56.4187 29.3498 173.2437 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 1 M 8.30 4.46 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 2 A 8.31 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 3 V 9.00 3.85 1.95 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 0.76 0.00 0.00 0.89 0.00 0.00 4 N 8.82 4.71 0.00 2.81 2.33 0.00 0.00 6.86 7.68 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 5 V 7.99 4.25 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 0.77 0.00 0.00 0.77 0.00 0.00 6 Y 8.63 4.93 0.00 3.10 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 7 S 8.91 4.25 0.00 3.92 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 8 T 7.90 4.29 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 1.23 0.00 0.00 9 S 7.86 4.29 0.00 4.08 3.87 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 10 V 8.23 3.83 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 0.80 0.00 0.00 0.93 0.00 0.00 11 T 8.01 4.66 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 1.15 0.00 0.00 12 S 8.25 4.29 0.00 3.77 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 13 D 8.32 4.48 0.00 2.64 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 14 N 8.49 4.50 0.00 2.70 2.77 0.00 0.00 6.90 7.85 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 15 L 8.21 4.71 0.00 1.65 1.65 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.47 4.59 0.00 4.15 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 0.00 17 R 8.68 4.27 0.00 2.07 2.03 0.00 2.82 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 1.66 1.71 0.00 18 H 8.25 4.15 0.00 3.24 3.39 0.00 5.67 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 19 D 8.51 4.47 0.00 2.83 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 20 M 8.71 4.23 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.90 0.00 21 L 8.37 4.06 0.00 1.89 1.73 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.10 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.46 4.22 0.00 3.35 3.48 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 24 I 7.97 3.27 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 0.74 0.00 0.00 25 N 8.60 4.25 0.00 2.72 2.92 0.00 0.00 7.13 7.54 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 26 E 8.25 4.00 0.00 2.05 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 2.35 2.39 0.00 27 S 7.92 4.27 0.00 3.59 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 28 L 7.32 4.32 0.00 1.37 1.36 0.05 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.84 3.36 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 30 L 7.57 4.74 0.00 1.62 1.49 0.75 0.78 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 31 N 8.06 5.04 0.00 2.56 2.67 0.00 0.00 6.94 7.78 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 32 L 8.22 4.21 0.00 1.65 1.69 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.03 4.54 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 1.26 0.00 0.00 34 K 7.87 4.71 0.00 1.80 1.95 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 35 I 8.73 3.86 2.23 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 1.83 1.40 1.02 0.00 0.00 36 E 8.50 4.12 0.00 2.13 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 2.70 2.67 0.00 37 Q 8.25 4.14 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 38 L 8.05 4.04 0.00 1.90 1.66 1.09 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 C 7.89 4.40 0.00 3.21 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 40 S 7.44 3.48 0.00 3.84 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 41 G 8.04 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 0.00 0.00 0.00 42 A 7.45 3.61 1.03 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 43 A 7.60 3.73 0.98 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 0.00 0.00 44 Y 7.25 4.06 0.00 2.94 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 45 C 7.94 4.20 0.00 3.08 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 46 Q 8.31 4.13 0.00 2.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 47 F 8.62 4.39 0.00 3.68 3.56 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 48 M 8.86 4.52 0.00 2.40 2.58 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.18 3.45 0.00 49 D 8.30 4.48 0.00 3.00 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 50 M 7.81 3.43 0.00 2.14 0.99 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.52 0.00 51 L 8.08 3.91 0.00 1.36 0.18 0.77 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.29 4.98 0.00 3.20 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 53 P 0.00 5.10 0.00 2.15 2.16 0.00 3.82 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 54 G 8.80 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 0.00 0.00 0.00 0.00 55 S 8.47 4.46 0.00 4.21 4.35 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 56 I 7.62 4.64 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.33 1.00 0.00 0.00 57 A 8.26 4.44 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 58 L 8.14 4.05 0.00 1.82 1.87 1.15 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.10 4.09 0.00 1.74 1.88 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 60 K 7.91 4.28 0.00 1.90 1.82 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.52 7.81 61 V 7.32 3.54 1.76 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 -0.46 0.00 0.00 0.85 0.00 0.00 62 K 8.83 4.28 0.00 1.77 1.73 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.33 7.81 63 F 8.57 4.20 0.00 3.07 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 64 Q 7.28 4.68 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 65 A 8.18 4.30 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.98 4.78 0.00 1.71 1.81 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.54 7.81 67 L 7.35 4.49 0.00 1.43 1.34 0.89 0.78 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 68 E 8.42 3.37 0.00 1.93 1.87 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 2.38 2.60 0.00 69 H 7.92 4.30 0.00 3.35 3.48 0.00 5.51 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.57 3.89 0.00 2.00 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 0.00 2.21 1.99 0.00 71 Y 7.49 4.66 0.00 3.14 3.23 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 72 I 8.01 3.88 2.08 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 1.69 1.14 0.94 0.00 0.00 73 Q 8.02 4.04 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 74 N 8.17 4.22 0.00 2.85 2.57 0.00 0.00 7.07 8.30 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 75 F 8.47 4.06 0.00 3.06 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 76 K 8.13 4.40 0.00 1.98 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 77 I 7.75 3.70 1.98 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 1.50 1.13 0.91 0.00 0.00 78 L 7.78 3.92 0.00 1.62 1.72 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.52 3.93 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 80 A 8.32 4.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.11 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 0.00 0.00 0.00 82 F 8.87 4.49 0.00 3.16 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 83 K 8.56 3.98 0.00 1.88 2.03 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 84 R 8.05 3.95 0.00 1.99 2.18 0.00 3.36 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 85 M 8.18 4.30 0.00 1.54 1.96 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.80 0.00 86 G 7.77 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 0.00 0.00 0.00 87 V 8.08 3.91 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 -0.20 0.00 0.00 0.78 0.00 0.00 88 D 9.33 4.79 0.00 2.82 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 89 K 7.46 4.28 0.00 1.05 1.33 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 1.08 7.81 90 I 8.12 4.19 1.80 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 1.38 0.93 0.85 0.00 0.00 91 I 8.14 3.93 1.66 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.55 0.21 0.00 0.00 92 P 0.00 4.43 0.00 2.10 2.09 0.00 3.09 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 1.80 1.92 0.00 93 V 7.17 2.80 1.87 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 0.84 0.00 0.00 0.67 0.00 0.00 94 D 7.85 4.31 0.00 2.81 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 95 K 7.70 4.06 0.00 1.86 1.83 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.46 7.81 96 L 7.52 3.94 0.00 1.06 1.50 -0.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.40 4.17 2.33 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 0.87 0.00 0.00 1.06 0.00 0.00 98 K 7.86 4.34 0.00 1.86 1.88 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.65 1.59 7.81 99 G 7.99 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 0.00 100 K 7.80 4.32 0.00 1.97 1.80 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.53 7.81 101 F 8.83 4.13 0.00 3.21 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 0.00 102 Q 8.26 3.99 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 103 D 8.02 4.35 0.00 2.73 2.68 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 0.00 104 N 8.01 4.53 0.00 2.89 2.97 0.00 0.00 6.71 9.28 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 0.00 105 F 8.49 4.30 0.00 1.85 2.58 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 0.00 106 E 8.41 3.84 0.00 2.19 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 0.00 2.37 2.34 0.00 107 F 8.36 4.29 0.00 3.20 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 0.00 108 V 8.41 3.98 2.48 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 1.17 0.00 0.00 1.32 0.00 0.00 109 Q 8.14 3.81 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 110 W 7.94 3.97 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 0.00 111 F 8.40 3.03 0.00 2.78 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 0.00 112 K 8.34 3.35 0.00 1.35 1.55 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.82 0.99 7.81 113 K 7.34 3.69 0.00 1.57 1.60 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.35 7.81 114 F 7.38 3.57 0.00 1.51 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 0.00 0.00 0.00 115 F 7.94 3.49 0.00 2.71 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 0.00 116 D 8.02 4.20 0.00 2.42 2.57 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 0.00 117 A 7.52 3.96 1.12 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 0.00 118 N 6.78 4.53 0.00 1.93 2.32 0.00 0.00 6.94 7.27 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 0.00 119 Y 7.35 3.90 0.00 1.49 2.39 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 0.00 120 D 8.06 4.28 0.00 2.60 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 0.00 121 G 5.38 3.42 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 0.00 0.00 0.00 122 K 7.50 4.06 0.00 1.96 1.91 0.00 1.89 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.64 7.81 123 D 8.52 4.67 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 0.00 124 Y 8.32 4.70 0.00 2.92 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 0.00 125 D 7.61 4.60 0.00 2.57 2.29 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 0.00 126 P 0.00 4.14 0.00 2.33 2.27 0.00 3.71 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 1.89 2.15 0.00 127 V 7.59 3.52 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 0.93 0.00 0.00 0.87 0.00 0.00 128 A 9.02 3.93 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 0.00 129 A 7.61 4.02 1.21 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 0.00 0.00 130 R 7.27 3.86 0.00 1.57 1.36 0.00 2.21 0.00 0.00 2.33 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.38 0.00 131 Q 7.47 3.96 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00