NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4834 8.1933 116.7943 59.0030 65.0415 176.0005 7 T 3.8582 7.6951 116.5602 65.3238 68.3072 175.2217 8 K 3.9606 8.1297 121.7004 59.2068 32.7607 178.3958 9 K 3.9795 7.9579 119.5809 59.7294 32.2307 178.8334 10 T 3.8748 7.5932 114.7599 66.5344 68.3355 176.4251 11 Q 3.9566 7.8336 121.6346 59.3263 29.0677 178.4552 12 L 4.0858 7.9031 119.6488 57.5592 41.5541 179.6030 13 Q 4.0220 8.0630 118.2988 59.0159 28.6339 178.6258 14 L 4.0565 8.0536 120.0077 57.7807 41.7397 179.4366 15 E 3.9715 8.2845 118.7341 59.4581 29.3193 178.8325 16 H 4.3615 8.1481 118.2085 58.9706 30.0370 177.0970 17 L 3.9076 8.1627 122.4011 57.9535 42.0361 178.6804 18 L 3.9942 8.2515 120.6572 58.1051 42.0174 178.7747 19 L 4.0127 7.9390 120.0629 58.0465 41.4729 178.6413 20 D 4.3299 8.2636 118.9935 57.5103 40.8218 178.8594 21 L 4.0892 7.8786 119.1577 57.7626 41.7265 179.5567 22 Q 4.0893 8.1089 117.7484 58.9033 28.4444 178.5442 23 M 4.1214 7.9847 120.1863 58.2112 31.9394 178.8248 24 I 3.7480 7.4809 119.2128 64.2031 37.3726 178.2001 25 L 3.9426 7.9658 121.2722 58.0969 41.6601 178.5650 26 N 4.3954 7.9300 116.0861 56.4496 38.6297 176.9015 27 G 3.5393 7.7950 107.4699 47.5324 0.0000 175.9240 28 I 2.8099 7.4440 122.1319 63.8033 36.9260 177.8513 29 N 4.4001 7.7281 116.3663 55.6761 38.8672 175.5085 30 N 4.5345 7.1006 115.5386 53.9599 39.5404 174.4542 31 Y 4.6875 6.7648 116.8303 58.1401 38.9897 176.1420 32 K 4.3249 8.4322 121.6196 55.7952 34.3099 177.8606 33 N 4.3016 8.7232 118.8805 56.8564 38.6669 175.2639 34 P 4.2823 0.0000 0.0000 65.4077 31.3270 178.5684 35 K 3.9263 7.9806 118.1471 59.1521 32.2267 178.6124 36 L 4.1052 8.1597 120.7965 58.4807 41.8631 178.9644 37 T 3.9126 7.7289 114.5439 66.7998 68.6317 176.3564 38 R 4.0571 7.8869 120.4217 59.2231 30.0879 178.1655 39 M 4.1153 7.8101 118.5432 58.3430 32.0459 177.8665 40 L 4.3092 7.7850 117.6670 56.9755 41.9014 178.7818 41 T 4.2165 7.3853 108.5526 62.4390 68.8923 174.1873 42 F 3.9855 7.6826 124.5707 57.5317 39.4916 174.2876 43 K 4.7292 7.7871 127.6741 54.9971 33.6747 175.9814 44 F 4.8042 9.2933 122.7591 55.6582 42.2103 174.5304 45 Y 4.6904 9.2781 120.6262 58.3142 38.6334 174.9920 46 M 5.2613 8.9541 122.0394 52.8898 35.5228 173.5318 47 P 4.9030 0.0000 0.0000 62.9001 32.0519 176.5187 48 K 4.2481 8.5430 121.5367 58.6472 32.8018 177.8370 49 K 4.4019 7.8355 119.0934 54.5451 34.9142 175.6869 50 A 4.6276 8.3452 128.2652 50.4325 19.3566 174.6431 51 T 4.5437 8.5673 108.1819 61.9222 71.2346 174.6177 52 E 4.7116 8.1389 120.0073 54.0644 32.2471 176.5572 53 L 4.3648 8.2392 119.2275 57.4328 41.7509 179.6064 54 K 3.9731 7.7950 118.2297 59.3977 32.3425 177.8236 55 H 4.5638 7.4859 115.5588 56.4159 28.6648 176.2887 56 L 4.0608 7.6169 121.5302 55.8072 41.5219 178.4809 57 Q 4.0572 7.7999 119.9162 59.2587 28.7636 177.2968 58 C 4.5787 7.9312 116.8888 59.6459 38.8121 175.4033 59 L 3.6256 7.4027 121.7166 57.6243 41.4483 178.2658 60 E 3.8996 7.9582 119.3316 59.4472 29.3762 178.7394 61 E 4.1569 8.3157 117.3204 58.6079 29.6797 178.0469 62 E 4.6618 7.8079 116.5088 56.5151 29.9130 177.7516 63 L 4.2037 7.8270 121.5695 57.0000 41.6916 179.5208 64 K 3.9984 8.0014 118.5075 59.1590 32.2244 177.3918 65 P 4.3800 0.0000 0.0000 65.4290 31.1128 178.4442 66 L 4.2389 7.9897 119.5939 58.1936 42.1320 178.6741 67 E 3.9723 8.1823 118.9127 58.9336 29.0249 178.4003 68 E 3.9095 8.2477 119.8559 59.2577 29.7691 179.2626 69 V 3.0931 7.2683 119.1602 64.4869 30.9047 178.3730 70 L 4.0673 7.6713 119.2026 57.3774 41.1749 179.1191 71 N 4.7245 7.7315 116.9978 55.4354 38.5112 177.0903 72 L 4.1237 7.3308 118.9870 57.4298 41.8004 178.9205 73 A 4.0106 7.7435 120.4320 56.4560 18.7215 178.6486 74 Q 4.0725 7.9648 119.3380 56.3419 29.9936 175.3018 *81 R 4.2203 8.3797 117.5903 58.1629 31.7372 170.9037 82 P 4.4682 0.0000 0.0000 64.4838 31.2629 178.8957 83 R 3.8863 7.9496 117.3021 59.5528 30.1107 178.0137 84 D 4.5344 8.0000 117.8178 56.5599 41.1741 178.4153 85 L 4.0118 7.7039 121.4087 58.0735 42.0108 179.0113 86 I 3.7650 7.7539 119.7610 64.2610 37.0532 178.3086 87 S 4.0742 7.7667 112.7626 61.4902 61.7562 176.0285 88 N 4.4212 8.0987 118.7599 55.9661 38.1540 177.6581 89 I 3.6611 7.6600 121.2395 64.3181 37.2347 177.7576 90 N 4.2117 8.3352 118.1727 56.7559 38.6298 176.9534 91 V 3.5796 7.7162 119.3467 65.9962 31.6835 178.0652 92 I 3.6638 7.3982 118.9005 64.3766 36.9478 178.4534 93 V 3.5538 7.9322 119.2117 66.2191 30.9262 178.1160 94 L 3.9936 8.0739 118.4271 57.5813 41.1293 179.1203 95 E 4.0604 7.7175 118.6126 58.8571 29.6238 178.4811 96 L 4.1926 7.5985 118.5589 57.5021 41.9796 179.1507 97 K 4.1717 8.0538 117.2376 58.5019 33.2230 177.0875 98 G 3.9675 7.7257 103.3099 44.3762 0.0000 174.9996 *100 E 4.3803 8.8367 120.1115 56.0345 31.2880 176.0801 101 T 4.5760 7.7149 113.3437 61.9084 70.2878 173.9365 102 T 4.5645 8.4136 114.8268 59.7105 70.5712 173.1990 103 F 4.6711 8.2009 127.5122 56.1518 41.3406 174.4002 104 M 3.9689 7.9897 128.3835 54.4997 30.8397 175.4195 105 C 4.1132 8.1619 126.0042 56.2403 40.0231 172.5168 106 E 4.4281 8.4040 126.5228 55.5786 30.8347 174.7205 107 Y 5.2989 8.3033 120.9678 56.0747 40.2607 175.5768 108 A 4.2481 9.2372 124.9981 52.0480 18.7597 177.8292 109 D 4.4777 8.8975 120.4113 57.1044 41.2635 177.2955 110 E 4.3655 8.0792 118.4240 55.7393 30.3945 175.9299 111 T 4.7220 8.3169 113.5959 60.7477 70.9435 173.3524 112 A 5.0347 8.8216 124.1843 50.1474 23.3617 175.4804 113 T 4.5727 8.5130 109.5059 60.9539 70.5966 175.8032 114 I 3.5466 8.7359 120.7466 64.1370 37.8016 177.8227 115 V 3.6088 7.8096 118.6505 66.1672 31.5455 177.8009 116 E 4.0382 7.8435 118.1048 59.1132 28.7656 179.1575 117 F 4.1981 8.5943 121.0155 61.4830 39.5419 177.3052 118 L 4.0271 8.3293 118.8600 57.8339 41.3989 179.3260 119 N 4.3767 8.2389 116.6241 56.1825 38.5056 177.4787 120 R 3.8079 7.7934 119.7695 58.7820 30.1820 178.2863 121 W 4.4857 7.5779 117.2452 58.7631 29.1986 178.8409 122 I 3.8297 7.9640 120.3761 64.7502 36.3860 178.4201 123 T 3.8988 7.7799 115.2998 66.4037 68.5758 176.2388 124 F 4.2677 8.2037 122.4965 61.5849 39.4826 177.0041 125 C 4.0765 8.1678 115.8654 62.9427 27.5754 175.9392 126 Q 4.1185 8.1090 118.5093 57.8634 28.0555 178.0172 127 S 3.9698 7.6188 114.0025 60.4485 62.4443 176.0326 128 I 3.7220 7.1959 122.2014 64.1811 36.7983 178.1758 129 I 3.6807 7.2595 119.2585 64.3059 36.9324 178.1465 130 S 4.1964 7.4135 113.3194 61.0478 62.1821 176.0757 131 T 4.0952 7.1133 112.2818 64.3379 69.0929 175.1488 132 L 4.2677 7.4120 126.3376 55.5238 40.8659 176.3357 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 6 S 8.19 4.48 0.00 3.90 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 7 T 7.70 3.86 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 1.20 0.00 0.00 8 K 8.13 3.96 0.00 1.86 1.79 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.54 7.81 9 K 7.96 3.98 0.00 1.86 1.78 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.53 7.81 10 T 7.59 3.87 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 1.21 0.00 0.00 11 Q 7.83 3.96 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.76 2.30 0.00 12 L 7.90 4.09 0.00 1.77 1.70 0.91 0.74 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 13 Q 8.06 4.02 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 14 L 8.05 4.06 0.00 1.80 1.71 0.95 0.72 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 15 E 8.28 3.97 0.00 2.12 2.00 0.00 0.00 0.00 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 16 H 8.15 4.36 0.00 3.32 3.42 0.00 5.61 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 17 L 8.16 3.91 0.00 1.86 1.90 0.86 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 18 L 8.25 3.99 0.00 1.89 1.91 0.95 0.84 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 19 L 7.94 4.01 0.00 2.10 1.69 0.93 1.14 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 20 D 8.26 4.33 0.00 3.00 2.66 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 0.00 0.00 0.00 0.00 21 L 7.88 4.09 0.00 1.74 1.72 0.98 0.79 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 22 Q 8.11 4.09 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 23 M 7.98 4.12 0.00 2.08 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 24 I 7.48 3.75 1.99 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 1.41 0.68 0.92 0.00 0.00 25 L 7.97 3.94 0.00 1.87 1.65 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.93 4.40 0.00 2.88 2.78 0.00 0.00 7.21 7.33 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 27 G 7.79 3.54 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 0.00 0.00 0.00 0.00 28 I 7.44 2.81 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.92 0.00 0.00 29 N 7.73 4.40 0.00 2.80 2.78 0.00 0.00 7.20 7.79 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 30 N 7.10 4.53 0.00 2.84 2.73 0.00 0.00 7.21 7.42 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 31 Y 6.76 4.69 0.00 3.14 2.76 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 32 K 8.43 4.32 0.00 1.83 1.76 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.53 7.81 33 N 8.72 4.30 0.00 2.77 2.85 0.00 0.00 6.89 7.71 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 34 P 0.00 4.28 0.00 2.19 2.08 0.00 3.61 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 2.12 2.15 0.00 35 K 7.98 3.93 0.00 1.76 1.87 0.00 1.33 0.00 0.00 0.77 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.25 1.30 7.81 36 L 8.16 4.11 0.00 2.02 1.88 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.73 3.91 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 38 R 7.89 4.06 0.00 2.04 1.92 0.00 3.14 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 39 M 7.81 4.12 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.76 0.00 40 L 7.79 4.31 0.00 1.84 1.78 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.39 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 1.22 0.00 0.00 42 F 7.68 3.99 0.00 3.07 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 43 K 7.79 4.73 0.00 1.33 1.50 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.23 7.81 44 F 9.29 4.80 0.00 2.99 2.67 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 45 Y 9.28 4.69 0.00 2.86 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.95 5.26 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 47 P 0.00 4.90 0.00 1.96 2.14 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.19 0.00 48 K 8.54 4.25 0.00 1.80 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.46 7.81 49 K 7.84 4.40 0.00 1.60 1.43 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.26 1.39 7.81 50 A 8.35 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.57 4.54 4.29 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 1.23 0.00 0.00 52 E 8.14 4.71 0.00 1.76 1.79 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 2.31 2.17 0.00 53 L 8.24 4.36 0.00 1.69 1.75 0.91 0.66 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 54 K 7.80 3.97 0.00 1.64 1.87 0.00 1.31 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.85 0.57 7.81 55 H 7.49 4.56 0.00 3.36 3.42 0.00 5.63 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.62 4.06 0.00 1.83 1.61 1.18 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.80 4.06 0.00 2.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 58 C 7.93 4.58 0.00 3.52 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 59 L 7.40 3.63 0.00 0.27 0.92 -0.11 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.96 3.90 0.00 2.05 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 2.33 2.37 0.00 61 E 8.32 4.16 0.00 2.37 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 0.00 2.45 2.43 0.00 62 E 7.81 4.66 0.00 2.51 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 2.63 3.15 0.00 63 L 7.83 4.20 0.00 1.89 1.73 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.00 4.00 0.00 1.81 1.89 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.51 7.81 65 P 0.00 4.38 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.18 0.00 66 L 7.99 4.24 0.00 1.97 1.92 0.82 0.90 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 67 E 8.18 3.97 0.00 2.26 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 2.30 2.32 0.00 68 E 8.25 3.91 0.00 2.31 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 2.38 2.36 0.00 69 V 7.27 3.09 0.67 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 0.76 0.00 0.00 0.58 0.00 0.00 70 L 7.67 4.07 0.00 1.74 1.76 0.98 1.18 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 71 N 7.73 4.72 0.00 2.96 2.86 0.00 0.00 7.00 7.35 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 72 L 7.33 4.12 0.00 1.73 1.69 0.96 0.79 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 73 A 7.74 4.01 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 74 Q 7.96 4.07 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.52 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 *81 R 8.38 4.22 0.00 1.87 1.91 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 82 P 0.00 4.47 0.00 2.15 2.13 0.00 3.57 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 2.11 2.15 0.00 83 R 7.95 3.89 0.00 1.88 1.92 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 84 D 8.00 4.53 0.00 2.73 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 85 L 7.70 4.01 0.00 1.89 1.65 0.92 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 86 I 7.75 3.77 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 1.67 0.81 0.97 0.00 0.00 87 S 7.77 4.07 0.00 4.04 4.02 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 88 N 8.10 4.42 0.00 2.97 2.81 0.00 0.00 7.01 8.01 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 89 I 7.66 3.66 1.99 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 1.36 0.86 0.84 0.00 0.00 90 N 8.34 4.21 0.00 2.73 3.02 0.00 0.00 6.91 8.53 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 91 V 7.72 3.58 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 0.94 0.00 0.00 92 I 7.40 3.66 1.98 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 1.61 1.05 0.96 0.00 0.00 93 V 7.93 3.55 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 0.95 0.00 0.00 0.88 0.00 0.00 94 L 8.07 3.99 0.00 1.96 1.71 0.99 0.78 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 95 E 7.72 4.06 0.00 2.19 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 2.32 2.35 0.00 96 L 7.60 4.19 0.00 1.86 1.75 0.96 0.93 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 97 K 8.05 4.17 0.00 1.90 1.94 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.45 7.81 98 G 7.73 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 *100 E 8.84 4.38 0.00 2.00 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 0.00 2.22 2.35 0.00 101 T 7.71 4.58 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 1.24 0.00 0.00 102 T 8.41 4.56 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 1.23 0.00 0.00 103 F 8.20 4.67 0.00 2.94 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 0.00 104 M 7.99 3.97 0.00 1.68 1.82 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 2.44 2.29 0.00 105 C 8.16 4.11 0.00 3.02 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.40 4.43 0.00 1.88 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 0.00 2.29 2.20 0.00 107 Y 8.30 5.30 0.00 2.84 2.90 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 0.00 0.00 0.00 108 A 9.24 4.25 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 0.00 109 D 8.90 4.48 0.00 2.71 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 0.00 110 E 8.08 4.37 0.00 2.00 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 2.32 2.26 0.00 111 T 8.32 4.72 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 1.04 0.00 0.00 112 A 8.82 5.03 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 0.00 113 T 8.51 4.57 4.37 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 1.31 0.00 0.00 114 I 8.74 3.55 2.15 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 1.03 0.00 0.00 115 V 7.81 3.61 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 1.04 0.00 0.00 0.98 0.00 0.00 116 E 7.84 4.04 0.00 2.12 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 2.36 2.35 0.00 117 F 8.59 4.20 0.00 3.15 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 0.00 118 L 8.33 4.03 0.00 1.80 1.72 0.94 1.02 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 0.00 119 N 8.24 4.38 0.00 2.89 2.85 0.00 0.00 6.62 7.80 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 0.00 120 R 7.79 3.81 0.00 1.83 1.37 0.00 2.81 0.00 0.00 2.92 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.49 0.00 121 W 7.58 4.49 0.00 3.22 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 0.00 122 I 7.96 3.83 2.08 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 1.55 1.09 0.93 0.00 0.00 123 T 7.78 3.90 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 1.19 0.00 0.00 124 F 8.20 4.27 0.00 3.11 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 0.00 125 C 8.17 4.08 0.00 3.26 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 0.00 126 Q 8.11 4.12 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 127 S 7.62 3.97 0.00 3.95 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 0.00 128 I 7.20 3.72 1.61 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.17 0.79 0.00 0.00 129 I 7.26 3.68 1.82 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 1.38 0.46 0.88 0.00 0.00 130 S 7.41 4.20 0.00 4.03 3.84 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 0.00 131 T 7.11 4.10 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 1.21 0.00 0.00 132 L 7.41 4.27 0.00 1.73 1.66 0.90 0.88 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 * Residues marked with a * may have inaccurate shift predictions.