NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1X M 4.3833 8.3049 118.1986 54.7438 33.4318 175.3301 1 E 3.9743 7.6893 120.4754 55.3739 28.6803 173.4426 2 Q 5.0894 9.2536 126.3040 54.4331 32.2995 175.0117 3 L 4.8686 8.0442 127.5847 54.3151 44.5441 175.6467 4 T 4.5328 7.8502 109.1852 59.9234 72.6586 174.7376 5 K 3.6406 9.0541 122.2878 60.6777 32.1857 179.0214 6 C 4.5670 7.9973 114.4845 58.4477 40.3630 175.3868 7 E 4.1008 8.0577 121.3282 58.9482 29.6076 178.7529 8 V 3.4959 7.4805 117.5446 65.6004 31.2681 177.7459 9 F 4.0372 7.9210 119.8025 61.2480 39.3791 176.8860 10 R 4.1415 7.5501 116.2416 58.9698 29.9595 177.7175 11 E 4.2203 8.2520 117.8374 58.0634 29.8658 177.7296 12 L 4.3500 7.6493 117.8124 54.2262 41.6887 177.9866 13 K 3.6722 7.9673 123.1887 59.7552 32.2163 178.3901 14 D 4.2588 7.8716 117.4139 57.1951 40.7885 177.2755 15 L 3.9148 7.5231 116.4779 55.3779 41.6644 177.0821 16 K 3.9038 7.6582 122.5639 57.6228 32.4590 177.1942 17 G 4.1297 9.0219 117.7485 46.1037 0.0000 172.4066 18 Y 3.9772 7.8995 120.6829 59.4478 38.6513 176.2456 19 G 3.7645 8.6026 115.1726 45.4315 0.0000 173.8837 20 G 3.8893 8.7433 108.1038 45.0332 0.0000 174.2336 21 V 3.6883 7.4562 120.8206 62.0945 32.2778 175.8088 22 S 4.8954 8.4447 122.6510 57.3309 65.5739 175.3146 23 L 4.0068 8.3353 121.5655 57.6541 41.2978 178.0901 24 P 4.5950 0.0000 0.0000 65.6594 31.4140 178.4531 25 E 3.9154 7.9689 116.1612 58.5976 29.3055 179.2811 26 W 4.1474 7.9344 119.3786 59.5423 28.9853 178.8001 27 V 3.8612 7.8429 117.4243 65.7349 31.1108 177.1281 28 C 2.6657 7.5599 117.9729 59.0984 38.1384 175.2953 29 T 3.7708 7.3739 117.3199 67.1152 68.0538 176.6129 30 T 3.8052 7.9143 111.2574 64.6058 68.6557 176.1287 31 F 3.2200 7.6068 123.6230 61.0484 39.2201 176.0745 32 H 4.2978 7.5095 112.1496 56.6217 28.7362 176.7184 33 T 4.3199 7.3207 117.5792 65.2276 69.6531 176.0545 34 S 4.6441 7.9542 113.4577 56.8198 64.1039 175.2955 35 G 3.3182 7.6454 109.7540 46.2655 0.0000 174.2099 36 Y 4.0283 7.6866 115.3412 57.5951 35.0967 168.1737 37 D 5.0268 7.8810 120.9693 53.9533 41.1825 176.7803 38 T 3.9964 9.1163 119.1362 63.8539 69.9337 175.5854 39 Q 4.8143 8.3985 119.8875 55.6841 29.5845 176.0393 40 A 4.3513 7.7750 120.7882 52.1597 20.0308 177.9102 41 I 4.6684 7.9728 120.3387 59.9961 41.3346 174.5442 42 V 4.2404 8.7098 127.5892 61.0899 34.1249 174.3969 43 Q 4.3981 8.7250 127.6824 55.2464 29.5747 175.0980 44 N 4.8542 8.6915 125.3703 52.0955 41.0879 175.6456 45 N 4.2727 8.8766 115.4508 56.3174 38.8484 175.5579 46 D 4.7998 7.6407 114.3562 53.3570 41.5042 175.6370 47 S 4.8412 7.7792 111.7763 56.2600 65.8714 172.4566 48 T 5.0053 8.4712 115.8408 61.9645 71.4132 173.1396 49 E 4.9819 8.8879 126.6956 55.7235 31.7181 175.2171 50 Y 4.9745 9.4209 121.0941 56.9974 42.0939 177.4079 51 G 4.6650 8.8829 111.0694 43.4824 0.0000 174.1499 52 L 4.2632 8.5232 118.5041 57.2147 41.8988 177.8868 53 F 4.6454 8.2906 114.1728 57.0997 39.9927 175.2046 54 Q 3.5265 7.9222 119.3458 56.9922 26.6220 174.1729 55 I 4.7527 8.1902 118.4470 60.3470 38.8866 175.8323 56 N 5.4561 9.0524 122.0639 51.8916 38.8080 174.8835 57 N 5.2755 8.5238 116.9752 52.6649 37.5001 175.6491 58 K 4.3354 8.2395 121.9767 57.6972 33.4319 177.9918 59 I 3.9401 7.6630 117.3438 61.5451 39.8162 177.4347 60 W 4.3715 7.9124 119.4601 58.2983 29.9178 173.6335 61 C 5.4108 7.8793 111.2709 53.0462 45.9103 172.9511 62 K 4.4819 9.2961 123.0693 56.4602 32.5593 175.2435 63 D 5.1798 8.1744 125.3661 52.2525 44.3152 175.3956 64 D 4.5406 8.9210 121.6844 55.7296 40.9827 176.7948 65 Q 4.3771 7.9717 119.8044 57.4753 30.2727 175.9927 66 N 4.9798 7.6107 118.6694 50.8313 39.3542 173.1838 67 P 4.6059 0.0000 0.0000 62.2718 31.1090 177.1706 68 H 4.8329 7.7204 109.6887 55.7417 31.4083 174.3121 69 S 4.6346 8.2125 115.3069 57.2934 63.4569 175.3175 70 S 3.9316 8.6509 118.2044 59.6975 63.2176 173.6602 71 N 4.3677 7.5494 117.4426 53.5117 37.2371 174.5894 72 I 3.7459 7.6329 120.8005 64.7048 37.8665 177.9172 73 C 4.4331 8.3406 115.8417 57.6307 40.6270 172.4543 74 N 4.1712 7.5291 118.1671 52.7606 36.5996 172.4001 75 I 4.1091 8.5798 119.2439 59.4412 42.1353 173.2825 76 S 4.6426 8.0011 120.2375 57.8395 63.7547 175.8858 77 C 4.0623 8.4446 121.8852 59.2098 39.1797 175.8081 78 D 4.2325 7.6052 120.4016 56.5570 40.3759 177.6173 79 K 4.3321 7.6721 116.9487 57.3216 31.8724 177.2824 80 F 5.2818 7.5893 118.2071 57.4221 39.0946 176.7610 81 L 4.9783 7.9897 120.1392 54.4052 42.7876 176.0669 82 D 4.9394 7.8382 119.0292 51.3838 41.1344 177.0268 83 D 4.2731 8.8918 121.5943 57.6672 41.2606 176.6122 84 D 4.4703 7.9712 118.3104 53.9412 40.3355 176.1669 85 L 4.7166 8.3654 127.3067 54.9567 41.7574 178.5132 86 T 3.8282 7.6376 117.0656 67.2370 68.3596 175.6887 87 D 4.5421 8.1131 119.9826 56.4834 39.3778 177.9494 88 D 4.0006 8.2513 119.7886 57.1966 40.8637 178.3796 89 I 3.0825 7.4060 119.9540 64.3892 37.1345 178.3263 90 V 3.3900 7.1360 117.2683 66.4981 31.1501 177.3178 91 C 4.3653 7.9513 117.4990 59.3077 37.6144 175.5031 92 V 3.2300 7.4592 119.9082 65.1467 30.9077 178.1599 93 K 4.0223 7.8371 118.7812 59.1744 31.9528 179.4099 94 K 4.3947 7.7851 119.6221 58.8309 31.8431 179.5695 95 I 3.2748 7.3741 120.5398 64.0374 36.6737 178.2200 96 L 4.2158 7.5730 118.4367 57.9028 41.1981 179.2582 97 D 4.5300 8.1457 118.6920 57.4143 40.7842 178.6919 98 K 4.0840 8.5105 117.9112 59.0142 32.2440 178.2167 99 V 4.0201 8.0936 117.7173 65.8397 32.5399 175.8324 100 G 4.2283 8.3621 105.1454 43.5789 0.0000 174.3401 101 I 3.9144 8.6912 120.0214 63.6282 37.9219 177.0771 102 N 4.7264 8.1619 114.6580 54.0690 37.2581 175.1176 103 Y 3.8861 8.5361 121.6800 59.1263 39.2448 174.4911 104 W 4.7506 8.2280 120.2892 54.3690 29.2453 176.0452 105 L 4.0767 8.2267 124.2737 57.2099 40.9864 178.9722 106 A 4.0619 8.0282 120.8081 55.3167 18.3667 178.1922 107 H 3.8892 8.1298 116.1414 60.0840 29.5642 177.2464 108 K 3.9042 7.8760 120.5689 59.1470 32.3360 178.6375 109 A 4.1285 7.5199 119.0342 54.5377 18.5378 178.1722 110 L 4.6388 8.3838 113.6298 54.6878 43.4145 176.4351 111 C 4.9435 7.9290 116.3400 56.8786 40.7051 174.7339 112 S 4.3571 8.2134 115.0790 58.2561 63.6547 173.7737 113 E 4.7414 7.5684 116.9237 54.4783 32.6502 174.8552 114 K 3.9044 8.5904 115.4499 57.6136 30.1686 177.4588 115 L 4.3067 7.9058 119.5864 57.8389 42.1158 179.1564 116 D 4.6868 8.1640 115.8595 54.6688 39.5067 176.4707 117 Q 4.2124 7.7771 117.5672 56.5219 28.9759 176.1096 118 W 4.6822 7.9671 117.4692 56.6588 29.3797 176.0353 119 L 4.4185 7.6746 118.8270 54.7561 41.5383 175.6971 120 C 4.5012 6.7767 113.7150 57.8438 42.8533 177.5518 121 E 3.2559 6.2905 121.3003 57.9989 29.6381 176.6783 122 K 4.0402 7.6607 119.1628 56.4316 36.1357 173.9782 123 L 4.1278 8.2863 121.2859 55.9203 42.1480 173.3194 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 1X M 8.30 4.38 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 1 E 7.69 3.97 0.00 2.09 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 2.35 2.34 0.00 2 Q 9.25 5.09 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 3 L 8.04 4.87 0.00 1.42 1.60 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.85 4.53 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 1.21 0.00 0.00 5 K 9.05 3.64 0.00 1.99 1.87 0.00 2.06 0.00 0.00 1.94 0.00 0.00 2.66 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.86 7.81 6 C 8.00 4.57 0.00 2.95 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 7 E 8.06 4.10 0.00 2.10 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 2.27 2.26 0.00 8 V 7.48 3.50 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 1.05 0.00 0.00 0.43 0.00 0.00 9 F 7.92 4.04 0.00 3.28 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 10 R 7.55 4.14 0.00 2.07 2.10 0.00 3.34 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 11 E 8.25 4.22 0.00 1.94 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 2.54 2.47 0.00 12 L 7.65 4.35 0.00 1.55 1.39 0.84 0.50 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 13 K 7.97 3.67 0.00 1.82 1.77 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 14 D 7.87 4.26 0.00 2.50 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.52 3.91 0.00 1.10 0.97 0.33 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.66 3.90 0.00 1.81 1.71 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.39 7.81 17 G 9.02 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 0.00 0.00 0.00 18 Y 7.90 3.98 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.60 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 20 G 8.74 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 0.00 0.00 0.00 21 V 7.46 3.69 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 -0.02 0.00 0.00 0.66 0.00 0.00 22 S 8.44 4.90 0.00 4.10 4.01 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 23 L 8.34 4.01 0.00 1.58 1.17 0.39 0.67 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 24 P 0.00 4.60 0.00 2.28 2.50 0.00 3.69 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 2.28 2.50 0.00 25 E 7.97 3.92 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 2.22 2.31 0.00 26 W 7.93 4.15 0.00 3.52 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 27 V 7.84 3.86 2.38 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 1.26 0.00 0.00 1.23 0.00 0.00 28 C 7.56 2.67 0.00 1.30 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.37 3.77 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 0.98 0.00 0.00 30 T 7.91 3.81 4.17 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 0.91 0.00 0.00 31 F 7.61 3.22 0.00 2.90 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 32 H 7.51 4.30 0.00 3.08 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.32 4.32 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 34 S 7.95 4.64 0.00 4.11 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 35 G 7.65 3.32 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 0.00 36 Y 7.69 4.03 0.00 3.29 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 37 D 7.88 5.03 0.00 2.70 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 38 T 9.12 4.00 4.31 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 1.26 0.00 0.00 39 Q 8.40 4.81 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 40 A 7.78 4.35 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 41 I 7.97 4.67 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.34 0.55 0.00 0.00 42 V 8.71 4.24 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 0.95 0.00 0.00 1.00 0.00 0.00 43 Q 8.73 4.40 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 44 N 8.69 4.85 0.00 2.75 2.77 0.00 0.00 6.69 7.65 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 45 N 8.88 4.27 0.00 2.69 2.89 0.00 0.00 6.55 8.06 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 46 D 7.64 4.80 0.00 2.78 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 47 S 7.78 4.84 0.00 4.10 4.05 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 48 T 8.47 5.01 4.44 0.00 0.00 0.00 0.00 0.00 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 49 E 8.89 4.98 0.00 2.15 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 2.41 2.36 0.00 50 Y 9.42 4.97 0.00 3.11 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 51 G 8.88 4.66 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 0.00 0.00 0.00 52 L 8.52 4.26 0.00 1.58 1.61 1.01 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.29 4.65 0.00 3.13 3.47 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 0.00 54 Q 7.92 3.53 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 55 I 8.19 4.75 1.92 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.66 1.05 0.00 0.00 56 N 9.05 5.46 0.00 3.13 3.17 0.00 0.00 6.01 6.96 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 57 N 8.52 5.28 0.00 2.98 3.09 0.00 0.00 6.79 6.80 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 58 K 8.24 4.34 0.00 1.86 1.83 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.46 7.81 59 I 7.66 3.94 0.58 0.00 0.00 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 1.12 1.38 -0.28 0.00 0.00 60 W 7.91 4.37 0.00 3.62 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 61 C 7.88 5.41 0.00 3.11 3.39 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 62 K 9.30 4.48 0.00 1.87 1.64 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.47 7.81 63 D 8.17 5.18 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.92 4.54 0.00 2.71 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 65 Q 7.97 4.38 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 7.15 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 66 N 7.61 4.98 0.00 2.98 2.73 0.00 0.00 7.01 8.03 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 67 P 0.00 4.61 0.00 1.86 1.96 0.00 3.67 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 2.00 2.29 0.00 68 H 7.72 4.83 0.00 3.05 3.24 0.00 5.90 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.21 4.63 0.00 3.93 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 70 S 8.65 3.93 0.00 3.84 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 71 N 7.55 4.37 0.00 3.05 2.75 0.00 0.00 7.36 7.70 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 72 I 7.63 3.75 1.91 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.99 0.00 0.00 73 C 8.34 4.43 0.00 3.32 3.34 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 74 N 7.53 4.17 0.00 2.78 2.80 0.00 0.00 6.93 8.70 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 75 I 8.58 4.11 1.74 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.72 0.54 0.00 0.00 76 S 8.00 4.64 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.44 4.06 0.00 1.70 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 78 D 7.61 4.23 0.00 2.68 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 79 K 7.67 4.33 0.00 1.49 1.65 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.33 7.81 80 F 7.59 5.28 0.00 3.34 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 81 L 7.99 4.98 0.00 1.92 1.80 1.19 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.84 4.94 0.00 2.85 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 83 D 8.89 4.27 0.00 2.71 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.97 4.47 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.37 4.72 0.00 1.76 1.76 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.64 3.83 4.55 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 1.20 0.00 0.00 87 D 8.11 4.54 0.00 3.12 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 88 D 8.25 4.00 0.00 3.00 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 89 I 7.41 3.08 1.67 0.00 0.00 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 1.55 0.70 0.56 0.00 0.00 90 V 7.14 3.39 2.06 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 0.97 0.00 0.00 0.86 0.00 0.00 91 C 7.95 4.37 0.00 3.21 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 92 V 7.46 3.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 -0.22 0.00 0.00 93 K 7.84 4.02 0.00 1.79 1.50 0.00 1.32 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.39 1.14 7.81 94 K 7.79 4.39 0.00 1.88 1.99 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.54 7.81 95 I 7.37 3.27 1.77 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.01 -0.02 0.00 0.00 96 L 7.57 4.22 0.00 2.15 1.95 1.45 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.15 4.53 0.00 2.97 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 98 K 8.51 4.08 0.00 2.07 2.15 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.96 1.97 7.81 99 V 8.09 4.02 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 0.89 0.00 0.00 1.32 0.00 0.00 100 G 8.36 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 0.00 101 I 8.69 3.91 1.73 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.23 0.85 0.00 0.00 102 N 8.16 4.73 0.00 2.90 2.95 0.00 0.00 6.00 7.55 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 0.00 103 Y 8.54 3.89 0.00 2.71 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 0.00 104 W 8.23 4.75 0.00 3.56 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 0.00 105 L 8.23 4.08 0.00 1.68 1.70 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.03 4.06 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 0.00 107 H 8.13 3.89 0.00 3.24 3.35 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.88 3.90 0.00 1.80 1.82 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 109 A 7.52 4.13 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 0.00 110 L 8.38 4.64 0.00 1.37 1.50 0.70 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.93 4.94 0.00 2.79 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 0.00 112 S 8.21 4.36 0.00 3.81 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.57 4.74 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 2.20 2.36 0.00 114 K 8.59 3.90 0.00 2.07 1.92 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.47 7.81 115 L 7.91 4.31 0.00 1.78 1.81 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.16 4.69 0.00 2.82 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 0.00 117 Q 7.78 4.21 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.16 0.00 0.00 0.00 0.00 0.00 2.43 1.51 0.00 118 W 7.97 4.68 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 0.00 119 L 7.67 4.42 0.00 1.72 1.53 0.95 1.04 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 0.00 120 C 6.78 4.50 0.00 1.44 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 6.29 3.26 0.00 1.97 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 2.37 2.35 0.00 122 K 7.66 4.04 0.00 1.62 1.65 0.00 1.85 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.17 1.15 7.81 123 L 8.29 4.13 0.00 1.53 1.41 0.89 0.75 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