NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3398 8.3044 120.3395 55.5817 33.7968 174.7428 2 H 4.3041 8.4635 118.6432 55.5814 28.8800 173.4058 3 L 4.8330 7.0023 119.0473 52.6825 45.7317 177.5585 4 T 4.0643 8.6568 113.8859 60.8283 70.8771 173.8910 5 P 4.3666 0.0000 0.0000 66.2059 31.0840 178.5530 6 E 3.9616 8.0381 117.9013 59.2535 29.4858 178.8986 7 E 3.9394 8.0592 118.7162 59.1897 29.6264 179.4491 8 K 3.8688 8.4362 118.9725 59.5881 32.0247 179.6232 9 S 4.0882 7.9957 114.8886 61.3730 62.8371 176.3225 10 A 3.9948 7.9245 123.5391 55.2616 18.0756 179.6904 11 V 3.3657 7.6568 116.4035 66.5147 31.6706 178.4123 12 T 3.9345 7.7801 114.5813 66.6300 68.1194 176.4244 13 A 4.0533 8.4527 122.0628 55.3739 18.6454 179.1863 14 L 3.9491 8.0646 118.5327 57.8612 42.0809 178.8371 15 W 4.4666 8.7234 128.6947 60.4643 30.3800 178.0506 16 G 3.7692 8.0892 104.5603 47.1297 0.0000 174.6830 17 K 4.4399 7.8234 118.0233 55.2994 32.7933 176.4204 18 V 3.8867 7.2047 120.7223 61.8693 32.4072 176.5364 19 N 4.5162 8.1085 125.6277 51.8778 37.5363 174.9565 20 V 3.4759 7.9728 125.6026 66.4203 31.6228 176.0127 21 D 4.3156 8.3063 117.4167 57.5640 40.4560 178.2596 22 E 3.9871 8.5318 117.7588 59.9224 29.7572 180.0830 23 V 3.5941 7.8540 118.0489 65.5963 31.4668 178.2092 24 G 3.7193 8.1009 105.7598 47.8684 0.0000 175.8522 25 G 3.6065 7.6356 107.5120 47.2098 0.0000 175.3272 26 E 3.8643 7.9940 121.2526 58.8421 29.8087 178.7795 27 A 3.9157 8.1894 121.0629 55.2837 18.4718 179.5051 28 L 4.0835 8.6688 119.2729 57.9380 42.0999 179.4219 29 G 3.5439 8.3260 106.2135 47.8427 0.0000 176.0695 30 R 3.9535 8.3185 120.9028 58.4918 29.9857 178.9148 31 L 4.1043 7.8248 120.0270 58.3373 42.0143 179.1282 32 L 4.0345 7.7606 118.5549 57.4721 41.2321 179.7579 33 V 3.5985 7.5212 117.5324 65.9193 31.7127 178.0826 34 V 3.6143 7.8193 116.9649 64.3316 32.6925 175.4609 35 Y 4.3544 7.6157 116.7117 54.2498 38.0611 173.9786 36 P 4.6219 0.0000 0.0000 65.0624 31.7814 178.0103 37 Y 4.2943 7.8153 117.2987 59.9316 37.6309 178.0513 38 T 4.2209 7.7838 111.2933 64.0087 68.9648 176.1761 39 Q 4.3239 8.4822 121.9702 58.2115 28.4185 178.2669 40 R 3.8008 7.4923 116.4653 58.8774 29.2221 177.9309 41 F 4.3621 7.2108 115.9778 57.5045 39.3973 175.8920 42 F 4.6823 7.6862 118.2235 56.7428 40.1063 177.1923 43 E 4.0452 8.5212 123.2328 59.7201 29.3371 179.1961 44 S 4.5354 8.0781 110.0125 59.6625 63.0818 174.5461 45 F 4.6443 8.6756 120.1660 58.3097 39.7536 176.7049 46 G 3.9082 7.8685 106.4034 44.1867 0.0000 172.8264 47 D 4.5061 8.5372 122.5274 54.5186 41.4114 176.5481 48 L 4.9242 8.3364 126.1889 54.4272 43.3456 177.9489 49 S 4.2757 8.2575 116.8853 60.9100 63.1480 174.5119 50 T 4.7298 7.4076 109.6433 58.0192 73.1503 172.5880 51 P 4.2043 0.0000 0.0000 66.2251 31.2837 178.6104 52 D 4.3605 8.0771 116.4768 57.3725 40.5798 178.6221 53 A 4.0349 7.5383 120.1281 54.8576 18.6421 179.7740 54 V 3.6717 8.1059 117.1836 66.6207 31.5434 178.2677 55 M 4.1937 8.4697 117.4398 57.6321 31.8515 178.0206 56 G 4.0573 7.5307 102.4686 43.2384 0.0000 173.0304 57 N 4.5189 7.6346 121.4387 52.3518 39.4270 174.0965 58 P 4.3130 0.0000 0.0000 65.6500 31.3471 178.7055 59 K 3.6730 8.4155 119.0411 58.8478 31.8082 179.2274 60 V 3.7005 7.8931 118.1158 66.1811 31.6257 178.0150 61 K 3.9305 8.0178 117.7907 59.5314 31.7657 179.2791 62 A 4.0289 8.1354 121.0287 55.3084 18.2328 179.2105 63 H 4.3851 8.6729 117.2856 59.2028 29.8973 177.7773 64 G 3.6303 8.2764 107.8537 47.5178 0.0000 175.6335 65 K 3.9707 7.9953 121.6258 59.0356 32.2156 178.8507 66 K 3.9483 7.8493 120.0288 59.4977 32.1780 178.7583 67 V 3.6395 8.0627 118.8170 66.2511 31.4390 177.8833 68 L 4.4011 8.3579 119.9917 57.9613 41.8882 179.1185 69 G 3.7032 8.4692 105.9671 47.5703 0.0000 175.7066 70 A 4.1265 8.3220 123.2060 54.7462 18.2029 179.3095 71 F 4.0539 8.6167 118.7797 61.7405 39.8030 177.0166 72 S 4.2196 8.6638 114.7333 61.9060 62.7358 176.4159 73 D 4.4483 8.2595 121.4148 57.5741 40.6494 179.3936 74 G 3.5307 7.8384 105.0594 47.2825 0.0000 175.4900 75 L 3.8508 7.2835 119.8765 56.7615 41.6303 178.2821 76 A 4.2451 7.5044 119.0467 52.8497 19.7871 176.6285 77 H 4.8945 7.8476 114.8418 54.3673 29.6963 175.2473 78 L 3.9530 7.9774 119.7949 57.8207 42.0343 179.1751 79 D 4.4545 7.9763 117.3845 56.2088 41.7101 176.0354 80 N 5.0152 7.9805 116.3795 51.5530 39.0303 174.5187 81 L 3.9861 7.8296 123.5085 57.7412 42.5694 178.9153 82 K 3.9838 8.2714 118.2072 59.7619 31.7467 179.3027 83 G 3.5829 8.0167 103.5273 48.2127 0.0000 175.5663 84 T 3.7680 7.8758 117.3321 65.0693 68.5515 175.2219 85 F 4.8543 7.8700 117.1637 57.0367 40.0573 177.1153 86 A 4.0775 7.8414 124.5137 55.5336 18.1085 180.4544 87 T 3.8105 7.8413 113.6439 66.9416 68.6857 176.7830 88 L 4.1357 8.0031 120.3300 57.7288 41.7306 179.4482 89 S 4.4311 8.5071 114.9213 61.0017 62.3331 176.0096 90 E 3.9095 8.2246 121.2918 59.2566 29.1252 179.0911 91 L 3.8985 7.9960 120.2146 58.6989 42.1377 178.8986 92 H 4.2134 8.3744 116.0257 59.1719 28.4556 176.7152 93 C 3.7084 7.8466 120.8725 61.7287 31.0336 175.2398 94 D 4.2378 8.2323 121.5026 57.0525 40.7660 177.9681 95 K 4.1750 7.6817 116.3558 58.2878 32.8890 177.8797 96 L 4.1702 7.9866 116.8557 54.8513 42.3067 176.2637 97 H 4.1161 7.3322 114.4948 56.6444 26.4609 175.2069 98 V 3.7879 8.0540 119.0498 61.1429 32.4220 174.8689 99 D 4.3746 8.7506 127.5843 53.5391 41.6949 174.9775 100 P 3.1910 0.0000 0.0000 64.2358 31.7355 177.8095 101 E 3.8555 8.0897 120.2895 59.3669 29.2891 178.2034 102 N 4.2669 7.8767 116.6576 56.2450 38.4977 177.2981 103 F 4.4486 7.4116 119.2021 60.5194 38.9714 177.9501 104 R 4.0032 7.8057 117.4941 58.9458 30.0122 178.7145 105 L 3.7617 7.7347 118.7533 57.7763 41.5792 179.3671 106 L 4.1135 8.2543 120.5093 58.0558 42.0650 179.2117 107 G 3.6461 8.0543 105.8007 47.9217 0.0000 175.4725 108 N 4.5053 8.2273 118.7197 55.8065 38.5156 177.8062 109 V 3.6395 7.9649 119.8831 65.8494 31.5536 177.7784 110 L 3.8524 8.1074 120.2269 58.1404 41.8904 178.9899 111 V 3.5647 7.7431 117.8977 66.3915 31.4440 177.8460 112 C 4.1323 7.9397 116.1536 62.6902 27.8435 176.3146 113 V 3.5308 7.8417 120.0698 65.8417 31.0291 178.1099 114 L 3.8045 7.9276 118.8177 57.5761 41.2931 179.3057 115 A 3.6864 7.1396 120.5737 55.2705 18.0789 179.1682 116 H 4.0714 7.8372 115.4925 59.7520 30.0382 176.7127 117 H 3.8681 8.1224 118.9841 58.3355 30.0170 176.2879 118 F 4.6651 8.4374 118.0621 57.0872 40.2448 177.0878 119 G 3.7948 8.8292 108.8348 45.7499 0.0000 176.2556 120 K 4.0498 8.9716 120.2074 59.6993 32.4068 178.0764 121 E 4.0788 8.0386 119.2296 58.5428 30.0422 177.0642 122 F 4.5651 8.2862 123.5678 57.0044 37.8856 175.2363 123 T 4.1702 7.3748 115.5558 60.1988 71.2578 173.4121 124 P 4.1634 0.0000 0.0000 65.7450 31.3660 177.1328 125 P 4.1957 0.0000 0.0000 65.4266 31.1564 178.9642 126 V 3.4905 7.3621 116.6530 65.8415 31.4046 177.7659 127 Q 3.5777 7.8769 119.4680 59.0085 28.9802 177.9423 128 A 3.9888 8.0832 121.5767 55.3801 18.3736 179.5091 129 A 3.8918 7.8979 118.8726 55.6433 18.3943 179.5547 130 Y 3.9142 8.2235 115.2682 61.1108 37.9633 178.8705 131 Q 4.1207 8.6202 119.7692 58.7813 28.8203 178.7554 132 K 3.9662 7.9843 119.2092 59.4165 32.0696 179.6015 133 V 3.5103 7.8581 118.3708 66.2090 31.4942 178.5633 134 V 3.8766 8.3327 112.2572 64.2785 31.3178 178.4962 135 A 4.1142 8.1488 120.6981 54.9878 18.2149 179.9202 136 G 3.4875 8.1151 104.2849 48.0044 0.0000 176.1820 137 V 3.2808 8.1616 121.2604 65.3405 31.4986 177.9548 138 A 3.8900 8.0910 120.6215 55.1540 18.2471 179.3822 139 N 4.2728 8.1619 114.7790 56.4162 38.4113 177.5226 140 A 4.0286 7.6488 120.9835 55.2178 18.8360 179.4469 141 L 3.9407 7.8503 116.8276 56.9455 41.7004 178.7683 142 A 4.3173 7.9281 119.9391 53.3372 18.6748 178.4415 143 H 3.9977 7.8900 116.6783 59.0596 29.8988 175.8983 144 K 4.4830 8.6482 115.9339 56.2516 32.1361 176.4356 145 Y 3.9428 7.9849 117.2708 58.5131 38.3972 175.8182 146 H 4.3549 8.3171 116.9102 56.4598 27.9590 173.7421 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 4.34 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 2 H 8.46 4.30 0.00 3.24 3.26 0.00 5.73 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 3 L 7.00 4.83 0.00 1.54 1.57 0.79 0.90 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 4 T 8.66 4.06 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 1.22 0.00 0.00 5 P 0.00 4.37 0.00 2.25 2.33 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 6 E 8.04 3.96 0.00 2.05 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 0.00 2.38 2.44 0.00 7 E 8.06 3.94 0.00 2.18 1.91 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 2.28 2.30 0.00 8 K 8.44 3.87 0.00 1.82 1.80 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.39 7.81 9 S 8.00 4.09 0.00 3.88 3.89 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 10 A 7.92 3.99 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 11 V 7.66 3.37 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 0.65 0.00 0.00 0.48 0.00 0.00 12 T 7.78 3.93 4.42 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 1.25 0.00 0.00 13 A 8.45 4.05 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 14 L 8.06 3.95 0.00 1.83 1.91 0.22 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.72 4.47 0.00 3.81 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 16 G 8.09 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 0.00 0.00 0.00 17 K 7.82 4.44 0.00 2.03 2.06 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 18 V 7.20 3.89 1.69 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 -0.15 0.00 0.00 0.89 0.00 0.00 19 N 8.11 4.52 0.00 2.70 2.60 0.00 0.00 6.81 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 20 V 7.97 3.48 2.11 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 1.08 0.00 0.00 1.01 0.00 0.00 21 D 8.31 4.32 0.00 3.02 2.61 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 0.00 0.00 0.00 0.00 22 E 8.53 3.99 0.00 2.02 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 2.28 2.45 0.00 23 V 7.85 3.59 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 0.95 0.00 0.00 0.61 0.00 0.00 24 G 8.10 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 25 G 7.64 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.99 3.86 0.00 2.14 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 2.25 2.32 0.00 27 A 8.19 3.92 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 28 L 8.67 4.08 0.00 1.74 1.66 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.33 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 30 R 8.32 3.95 0.00 1.89 1.97 0.00 3.09 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 31 L 7.82 4.10 0.00 1.85 1.91 0.97 0.51 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 32 L 7.76 4.03 0.00 1.83 1.69 0.60 1.40 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 33 V 7.52 3.60 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 0.73 0.00 0.00 0.92 0.00 0.00 34 V 7.82 3.61 1.74 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 0.83 0.00 0.00 35 Y 7.62 4.35 0.00 2.86 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 0.00 0.00 0.00 36 P 0.00 4.62 0.00 2.29 2.30 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.88 0.00 37 Y 7.82 4.29 0.00 3.19 3.21 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 38 T 7.78 4.22 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 1.26 0.00 0.00 39 Q 8.48 4.32 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 40 R 7.49 3.80 0.00 1.63 1.97 0.00 2.96 0.00 0.00 2.65 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 41 F 7.21 4.36 0.00 1.83 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 42 F 7.69 4.68 0.00 2.85 2.21 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 43 E 8.52 4.05 0.00 2.02 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 2.36 2.23 0.00 44 S 8.08 4.54 0.00 4.10 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 45 F 8.68 4.64 0.00 3.11 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 46 G 7.87 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 0.00 0.00 0.00 47 D 8.54 4.51 0.00 2.65 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 48 L 8.34 4.92 0.00 1.65 1.61 1.00 1.00 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 49 S 8.26 4.28 0.00 3.94 4.08 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 50 T 7.41 4.73 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 51 P 0.00 4.20 0.00 2.15 2.14 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 52 D 8.08 4.36 0.00 2.67 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 53 A 7.54 4.03 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 54 V 8.11 3.67 2.24 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 1.05 0.00 0.00 0.98 0.00 0.00 55 M 8.47 4.19 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.93 0.00 56 G 7.53 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 57 N 7.63 4.52 0.00 3.00 2.86 0.00 0.00 6.91 8.02 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 58 P 0.00 4.31 0.00 2.24 2.25 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 K 8.42 3.67 0.00 1.55 0.74 0.00 1.53 0.00 0.00 1.39 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.84 1.12 7.81 60 V 7.89 3.70 2.28 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 1.11 0.00 0.00 0.99 0.00 0.00 61 K 8.02 3.93 0.00 1.83 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.50 7.81 62 A 8.14 4.03 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 63 H 8.67 4.39 0.00 3.56 3.59 0.00 5.79 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 64 G 8.28 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 0.00 0.00 0.00 65 K 8.00 3.97 0.00 2.06 1.93 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 66 K 7.85 3.95 0.00 2.09 1.96 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.51 7.81 67 V 8.06 3.64 2.11 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 1.07 0.00 0.00 0.93 0.00 0.00 68 L 8.36 4.40 0.00 2.03 1.78 0.89 1.08 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 69 G 8.47 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 0.00 0.00 0.00 70 A 8.32 4.13 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.62 4.05 0.00 3.21 3.43 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 72 S 8.66 4.22 0.00 4.35 4.18 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 73 D 8.26 4.45 0.00 2.82 2.64 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 0.00 0.00 0.00 0.00 74 G 7.84 3.53 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 0.00 0.00 0.00 75 L 7.28 3.85 0.00 1.48 1.46 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.50 4.25 1.16 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 77 H 7.85 4.89 0.00 3.09 3.13 0.00 5.84 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 78 L 7.98 3.95 0.00 1.54 1.67 0.78 0.97 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 79 D 7.98 4.45 0.00 2.63 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 80 N 7.98 5.02 0.00 2.72 2.58 0.00 0.00 7.12 6.19 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 81 L 7.83 3.99 0.00 1.77 1.87 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.27 3.98 0.00 1.75 1.84 0.00 1.54 0.00 0.00 1.38 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.46 7.81 83 G 8.02 3.58 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 0.00 84 T 7.88 3.77 3.62 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 0.47 0.00 0.00 85 F 7.87 4.85 0.00 3.13 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 86 A 7.84 4.08 1.42 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 87 T 7.84 3.81 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 1.22 0.00 0.00 88 L 8.00 4.14 0.00 1.88 1.86 1.13 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.51 4.43 0.00 4.03 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 90 E 8.22 3.91 0.00 2.29 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 2.33 2.51 0.00 91 L 8.00 3.90 0.00 1.84 1.96 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.37 4.21 0.00 3.65 3.77 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.85 3.71 0.00 1.23 2.28 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 94 D 8.23 4.24 0.00 2.78 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 95 K 7.68 4.17 0.00 1.84 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.37 7.81 96 L 7.99 4.17 0.00 1.66 1.63 0.71 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.33 4.12 0.00 3.37 3.44 0.00 5.64 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.05 3.79 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 -0.03 0.00 0.00 0.47 0.00 0.00 99 D 8.75 4.37 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.19 0.00 1.98 1.85 0.00 3.50 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.71 0.00 101 E 8.09 3.86 0.00 2.05 1.90 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 2.27 2.35 0.00 102 N 7.88 4.27 0.00 2.47 2.71 0.00 0.00 6.94 8.08 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 0.00 103 F 7.41 4.45 0.00 3.10 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 0.00 104 R 7.81 4.00 0.00 2.05 1.95 0.00 3.10 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 105 L 7.73 3.76 0.00 1.68 1.29 0.59 -0.17 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 0.00 106 L 8.25 4.11 0.00 1.81 1.74 0.95 1.36 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 0.00 107 G 8.05 3.65 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 0.00 0.00 0.00 108 N 8.23 4.51 0.00 2.82 2.94 0.00 0.00 6.65 7.63 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 0.00 109 V 7.96 3.64 2.25 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 1.15 0.00 0.00 1.21 0.00 0.00 110 L 8.11 3.85 0.00 1.75 1.74 0.85 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.74 3.56 2.31 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 1.33 0.00 0.00 1.15 0.00 0.00 112 C 7.94 4.13 0.00 3.21 2.93 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 0.00 113 V 7.84 3.53 2.10 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 1.00 0.00 0.00 0.94 0.00 0.00 114 L 7.93 3.80 0.00 0.86 1.23 0.57 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.14 3.69 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 0.00 116 H 7.84 4.07 0.00 3.18 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.12 3.87 0.00 2.92 2.94 0.00 5.97 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.44 4.67 0.00 3.29 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 0.00 119 G 8.83 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 0.00 0.00 0.00 120 K 8.97 4.05 0.00 1.92 2.03 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 121 E 8.04 4.08 0.00 2.35 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 2.36 2.32 0.00 122 F 8.29 4.57 0.00 3.04 3.16 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 0.00 123 T 7.37 4.17 4.22 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 1.28 0.00 0.00 124 P 0.00 4.16 0.00 2.16 2.16 0.00 3.58 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 2.12 2.21 0.00 125 P 0.00 4.20 0.00 2.11 2.07 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 126 V 7.36 3.49 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 1.00 0.00 0.00 0.89 0.00 0.00 127 Q 7.88 3.58 0.00 1.80 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 128 A 8.08 3.99 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 0.00 129 A 7.90 3.89 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 0.00 130 Y 8.22 3.91 0.00 3.46 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 0.00 131 Q 8.62 4.12 0.00 2.23 2.21 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 2.76 2.62 0.00 132 K 7.98 3.97 0.00 2.03 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.64 7.81 133 V 7.86 3.51 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 0.98 0.00 0.00 0.76 0.00 0.00 134 V 8.33 3.88 2.21 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 1.05 0.00 0.00 1.17 0.00 0.00 135 A 8.15 4.11 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 0.00 136 G 8.12 3.49 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 0.00 137 V 8.16 3.28 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 0.52 0.00 0.00 0.65 0.00 0.00 138 A 8.09 3.89 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 0.00 139 N 8.16 4.27 0.00 2.88 2.89 0.00 0.00 6.92 8.04 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 0.00 140 A 7.65 4.03 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 0.00 141 L 7.85 3.94 0.00 1.29 0.85 -0.16 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.93 4.32 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 0.00 143 H 7.89 4.00 0.00 3.39 3.52 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.65 4.48 0.00 1.78 1.85 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.79 7.81 145 Y 7.98 3.94 0.00 3.19 2.99 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 0.00 146 H 8.32 4.35 0.00 3.18 3.22 0.00 5.75 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