NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6438 8.3044 120.3279 55.2939 33.4617 174.0700 2 V 4.0849 7.8020 121.0514 60.7730 33.1202 173.4921 3 A 4.8855 9.0897 130.4031 49.9554 20.2183 174.2563 4 L 4.7681 7.7092 119.3596 52.5968 46.1203 176.4056 5 K 4.0596 8.6413 121.8536 58.1143 32.2853 177.6219 6 G 3.9187 8.9370 110.9091 45.6309 0.0000 172.8148 7 I 4.4020 7.3039 120.2977 58.2470 39.0751 173.8843 8 P 4.2659 0.0000 0.0000 62.7238 31.6262 177.5529 9 K 4.3631 8.6403 121.7757 59.2643 32.7407 179.2559 10 V 3.7576 7.6618 111.4125 63.0409 31.8137 176.3705 11 L 4.2126 7.4519 120.7872 54.3662 42.2692 177.4031 12 S 4.6931 8.3352 117.7420 56.6144 66.0802 173.5148 13 P 4.2780 0.0000 0.0000 66.3094 30.8434 178.5172 14 E 4.1011 8.1601 117.8030 59.0465 29.3669 178.9040 15 L 3.9881 7.8762 119.9881 58.0229 42.1858 178.5903 16 L 3.9477 8.0727 120.3613 58.2179 42.0121 178.6562 17 F 4.4206 8.5364 120.2936 61.3435 39.3352 176.9182 18 A 3.9000 8.1576 120.2511 55.2461 18.0291 179.5056 19 L 3.7760 7.9658 116.2319 57.9893 41.7395 179.4612 20 A 4.0669 7.9188 119.7632 54.9894 18.3825 179.5605 21 R 3.8264 7.4446 115.6619 57.9343 30.5464 177.5035 22 M 3.6042 6.8174 118.1690 54.9854 32.5356 175.8225 23 G 4.0260 9.5348 112.1364 43.2091 0.0000 172.1000 24 H 4.2062 8.5174 118.9023 57.8144 29.8942 175.0119 25 G 4.0593 9.1762 116.1912 45.2784 0.0000 173.5356 26 D 4.6653 8.0842 119.6125 54.4121 42.1734 175.3783 27 E 5.2647 8.7467 119.5957 54.6659 33.7558 174.6831 28 I 5.0314 8.4578 121.2491 59.3194 41.9940 173.9086 29 V 4.6986 8.5902 128.3530 61.1430 34.0815 174.2080 30 L 4.8005 8.8610 128.3180 53.3793 43.1218 175.2237 31 A 5.0479 8.7164 127.1445 50.1481 21.7147 176.2851 32 D 5.0111 9.6675 121.3177 52.2593 41.1672 177.3180 33 A 4.0869 9.2256 121.7144 54.8421 18.2975 178.2153 34 N 4.7985 8.3247 111.3055 52.9761 38.9810 175.0970 35 F 4.4284 7.9911 121.3744 57.3999 40.7681 174.7725 36 P 4.5119 0.0000 0.0000 61.8366 27.8735 177.0615 37 T 4.0772 7.7247 113.4318 65.8661 68.9760 176.2312 38 S 4.1128 8.0483 116.3847 61.5925 63.0902 176.6073 39 S 4.2306 7.8858 117.0278 61.5050 62.6498 176.6781 40 I 3.6813 7.6794 122.6126 64.5591 36.7866 178.1373 41 C 4.4380 8.5689 117.1911 62.0392 27.7290 175.6978 42 Q 4.1095 7.5914 119.1109 57.9030 28.3568 176.3776 43 C 4.4520 8.8048 116.3923 59.0176 28.4874 172.8625 44 G 3.6797 7.3743 115.5466 45.0894 0.0000 172.7191 45 P 4.4286 0.0000 0.0000 62.0911 32.1160 175.7585 46 V 3.7727 8.2006 122.1439 62.9247 32.8820 174.1506 47 E 5.0183 8.6608 127.8672 54.8726 31.0042 174.8498 48 I 4.6433 8.6179 127.4129 59.5899 40.4775 174.8094 49 R 4.7594 8.6993 125.5821 54.7300 31.7054 177.3771 50 A 4.6425 8.8080 126.6165 50.1837 19.6758 178.1101 51 D 4.4015 8.5825 123.5137 58.3986 41.2534 179.1234 52 G 4.0012 8.0276 104.6681 45.5767 0.0000 172.9633 53 L 4.8020 7.8334 120.0936 52.7767 44.4704 175.7336 54 D 5.0934 8.1848 120.5995 53.1176 43.8559 178.1599 55 I 3.7842 8.4428 122.0269 64.0981 37.1140 176.9727 56 P 4.3503 0.0000 0.0000 65.8208 31.0524 178.3750 57 Q 3.9728 8.0530 117.6235 59.1806 29.0110 178.0986 58 L 3.9838 7.6799 119.8250 57.5241 41.5857 179.0024 59 L 3.8468 8.6657 121.4563 58.2105 41.7560 178.5914 60 E 3.8876 7.8852 117.3403 59.3090 29.7256 178.3250 61 A 4.1207 7.7631 120.6088 55.2296 18.3933 179.8071 62 V 3.5282 8.1202 117.1240 66.1219 31.3978 178.2656 63 L 4.0255 8.0805 117.8731 57.4735 41.4397 179.3606 64 R 4.0667 7.6586 117.6465 58.1948 29.9737 177.2716 65 L 4.4209 7.7156 116.6967 55.1989 43.7448 176.2831 66 L 4.2418 8.0505 121.6517 53.1923 42.3530 174.2370 67 P 4.4925 0.0000 0.0000 62.7034 32.7620 175.2361 68 L 4.8815 8.1999 122.1144 53.2165 43.3376 175.9662 69 D 4.2398 8.5909 123.2947 55.0347 40.9015 176.2247 70 T 4.2945 8.3553 114.9014 62.7587 70.1925 175.0811 71 Y 4.7206 7.4451 119.3222 56.6306 38.1515 175.2630 72 V 4.6658 7.0751 117.5736 60.0644 34.1392 175.3495 73 E 4.0977 8.8782 121.2177 59.4670 29.4871 178.0940 74 S 4.4984 7.6135 111.3973 56.5943 65.3369 171.4622 75 P 4.7328 0.0000 0.0000 63.1198 32.6804 174.9718 76 A 5.2885 7.8333 121.4660 50.4443 22.4995 175.1896 77 A 5.1566 8.9070 121.9468 50.5340 23.2866 175.5589 78 V 4.9238 8.6494 113.2727 58.6237 36.0703 174.0780 79 M 4.5902 8.0723 121.4518 54.4342 32.7822 175.2504 80 D 4.8001 8.9864 126.7862 53.6611 42.3266 176.0122 81 L 3.4144 8.2877 123.8399 54.7328 42.4408 178.4097 82 V 3.8905 8.5287 115.9330 60.2733 33.3550 175.8273 83 P 4.2142 0.0000 0.0000 66.2222 31.4800 178.5726 84 S 4.2705 8.1252 112.9896 62.0029 62.8425 176.4384 85 D 4.3781 8.0654 120.9020 57.1910 40.5246 178.6438 86 K 4.0753 7.8969 117.2404 58.8518 32.6329 177.9756 87 E 4.1730 7.8277 120.0582 57.7942 29.3814 176.8906 88 K 4.3174 8.0465 118.1775 55.3854 32.1937 176.8265 89 G 3.7525 7.8265 105.1346 46.7473 0.0000 173.6176 90 L 3.8460 7.0172 117.6515 55.2865 42.4320 176.7599 91 Q 4.2584 8.2292 124.0488 55.4921 30.6299 175.7368 92 T 4.2425 7.4005 112.6615 58.7081 67.2755 172.6002 93 P 4.1406 0.0000 0.0000 66.0670 31.5523 178.1428 94 I 3.4420 7.5532 117.6342 63.7326 37.5996 177.5569 95 W 4.1496 7.6509 119.5728 59.6424 28.7819 178.5322 96 K 4.0402 8.2210 118.6344 59.2720 31.3267 179.3963 97 R 3.9476 7.7358 118.7183 59.5414 30.0833 177.9883 98 Y 4.3959 7.9125 116.6257 61.2608 37.9759 178.3686 99 E 4.0310 8.6013 119.6456 59.5950 29.5798 179.6705 100 S 4.2658 8.1673 115.0481 61.7348 62.4165 176.8413 101 L 4.0797 8.3458 121.9099 57.6889 41.2150 179.6310 102 L 4.0192 8.1997 119.2098 57.5294 41.5487 179.1975 103 L 4.1663 7.9534 121.6205 57.7756 41.8975 178.9126 104 E 4.2907 8.1554 116.4085 58.2593 29.3122 178.0076 105 A 4.5336 7.1651 118.7410 51.0818 19.3983 176.2297 106 D 4.2942 8.3356 117.6203 56.6550 38.7859 173.7999 107 C 4.5708 8.2409 120.7291 57.7650 31.8393 174.0061 108 K 4.3761 8.4607 126.1367 56.9061 32.2721 177.8943 109 K 4.1767 7.7204 118.3592 56.5230 32.6686 176.0715 110 T 4.8412 7.8275 114.3543 59.5634 68.9561 174.3360 111 L 4.1056 8.7049 126.6984 55.1171 42.3589 176.4919 112 M 4.2915 8.7384 123.5045 54.7388 33.8716 174.8529 113 K 4.7926 8.5463 125.2221 54.8798 33.9189 175.4034 114 L 4.7465 8.6711 126.0135 52.5246 44.1831 176.3321 115 E 4.1855 8.6907 122.6124 56.3968 30.6024 177.5603 116 R 3.5208 8.5650 126.0653 59.8828 30.2794 178.6267 117 F 4.6500 7.8395 116.4495 60.1684 38.9061 177.7892 118 E 4.1023 8.1415 118.4234 59.2006 29.2835 178.6681 119 F 4.0263 8.6054 121.0934 61.6639 39.4656 176.8034 120 Y 4.6791 8.1433 116.1836 61.1754 37.4205 178.2412 121 E 4.0267 8.0917 119.2223 59.3341 30.1776 178.8074 122 R 4.0162 8.1338 117.8449 59.2726 30.2161 178.8428 123 A 3.9898 8.2457 120.8283 55.2365 18.1475 179.8653 124 K 4.0687 8.0977 115.9939 58.7271 32.1622 178.6617 125 K 4.3781 7.5276 115.9049 55.2320 32.6167 176.7033 126 A 4.2706 6.9856 122.6914 51.7834 19.2547 177.7943 127 F 4.2897 9.3556 123.1325 61.1902 40.6521 174.9257 128 A 5.0978 7.8371 117.6338 50.9213 23.0067 175.1956 129 V 4.7222 8.9443 119.2232 61.1461 34.8534 174.4919 130 V 4.7131 9.1321 128.5002 61.2635 33.0975 174.6047 131 A 4.6661 9.0916 132.3710 51.8508 19.3028 176.5865 132 T 4.7745 8.4353 113.1647 60.5096 71.6390 174.7043 133 G 4.1961 8.6550 106.5659 45.1214 0.0000 173.8212 134 E 4.2088 8.1739 122.6730 56.9227 29.7826 177.3850 135 M 4.4106 8.5671 124.5494 55.5598 33.0875 176.4669 136 A 4.1079 8.2915 122.9150 51.8378 19.0507 177.3876 137 L 4.0934 8.3389 122.3329 55.9704 42.3458 176.4804 138 Y 3.5525 8.1687 118.5601 59.2385 35.2399 171.3707 139 G 4.0589 8.0631 108.5231 46.8907 0.0000 174.9080 140 N 4.7521 8.1673 118.4468 53.8049 39.7950 173.8280 141 I 5.0757 8.7962 121.9751 59.6114 42.2682 173.4430 142 I 4.9289 9.0141 129.3728 59.4808 40.1114 174.4683 143 L 5.1992 8.6912 125.7988 52.7225 45.2517 175.2425 144 K 4.8494 8.6010 124.5602 54.2247 34.2345 175.2542 145 K 4.2547 9.0743 130.4543 56.7523 33.0479 176.0689 146 G 4.0293 8.7881 116.3611 45.8014 0.0000 172.4940 147 T 4.5435 8.1439 116.2839 60.1708 69.9539 174.9211 148 L 4.5257 8.0621 128.3072 52.9611 41.4090 176.0314 149 D 4.5054 8.0280 121.8769 53.8608 41.5347 175.8864 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 4.64 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 V 7.80 4.08 2.09 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 0.94 0.00 0.00 1.03 0.00 0.00 3 A 9.09 4.89 1.22 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 0.00 0.00 0.00 4 L 7.71 4.77 0.00 1.66 1.50 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.64 4.06 0.00 1.74 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 6 G 8.94 3.92 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 0.00 0.00 0.00 7 I 7.30 4.40 1.99 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 1.30 0.85 0.91 0.00 0.00 8 P 0.00 4.27 0.00 2.17 2.01 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.09 0.00 9 K 8.64 4.36 0.00 1.94 2.08 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 10 V 7.66 3.76 2.09 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 0.73 0.00 0.00 0.94 0.00 0.00 11 L 7.45 4.21 0.00 1.75 1.61 0.92 1.17 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 12 S 8.34 4.69 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.27 2.35 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 14 E 8.16 4.10 0.00 2.14 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 0.00 2.45 2.49 0.00 15 L 7.88 3.99 0.00 1.75 1.69 0.93 0.75 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 16 L 8.07 3.95 0.00 1.84 1.89 0.93 0.80 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 17 F 8.54 4.42 0.00 3.18 3.30 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 18 A 8.16 3.90 1.50 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 0.00 0.00 19 L 7.97 3.78 0.00 1.73 1.69 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.92 4.07 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 7.44 3.83 0.00 1.57 1.75 0.00 2.21 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.20 0.00 22 M 6.82 3.60 0.00 1.73 1.80 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 23 G 9.53 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 0.00 0.00 0.00 24 H 8.52 4.21 0.00 3.07 3.22 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.18 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 26 D 8.08 4.67 0.00 2.66 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 27 E 8.75 5.26 0.00 1.86 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 0.00 2.25 2.25 0.00 28 I 8.46 5.03 1.87 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 1.10 1.69 0.87 0.00 0.00 29 V 8.59 4.70 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 0.70 0.00 0.00 0.84 0.00 0.00 30 L 8.86 4.80 0.00 1.57 1.53 0.87 0.62 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 31 A 8.72 5.05 0.92 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 0.00 0.00 32 D 9.67 5.01 0.00 3.03 2.91 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 33 A 9.23 4.09 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 34 N 8.32 4.80 0.00 2.83 2.85 0.00 0.00 6.95 7.06 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 35 F 7.99 4.43 0.00 3.17 3.03 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 36 P 0.00 4.51 0.00 1.94 1.92 0.00 2.28 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.20 0.00 37 T 7.72 4.08 4.38 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 1.58 0.00 0.00 38 S 8.05 4.11 0.00 3.84 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 39 S 7.89 4.23 0.00 3.71 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 40 I 7.68 3.68 2.08 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 1.36 0.98 1.04 0.00 0.00 41 C 8.57 4.44 0.00 3.02 2.98 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 42 Q 7.59 4.11 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.03 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 43 C 8.80 4.45 0.00 3.10 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 44 G 7.37 3.68 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 0.00 0.00 0.00 45 P 0.00 4.43 0.00 2.08 2.19 0.00 3.77 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 2.19 0.00 46 V 8.20 3.77 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 0.94 0.00 0.00 0.67 0.00 0.00 47 E 8.66 5.02 0.00 2.03 1.84 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 2.24 2.36 0.00 48 I 8.62 4.64 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.95 0.00 0.00 49 R 8.70 4.76 0.00 1.71 2.04 0.00 3.42 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 50 A 8.81 4.64 1.25 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 0.00 0.00 0.00 51 D 8.58 4.40 0.00 2.73 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 52 G 8.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.80 0.00 1.72 1.56 0.93 1.12 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 54 D 8.18 5.09 0.00 2.75 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 55 I 8.44 3.78 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.83 0.00 0.00 56 P 0.00 4.35 0.00 2.23 2.23 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 57 Q 8.05 3.97 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 58 L 7.68 3.98 0.00 1.84 1.68 0.93 0.41 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 59 L 8.67 3.85 0.00 1.63 1.83 0.76 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.89 3.89 0.00 2.13 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 2.34 0.00 61 A 7.76 4.12 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 62 V 8.12 3.53 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 1.06 0.00 0.00 0.97 0.00 0.00 63 L 8.08 4.03 0.00 1.75 1.70 0.90 0.84 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 64 R 7.66 4.07 0.00 1.96 1.98 0.00 3.12 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 65 L 7.72 4.42 0.00 1.58 1.66 0.91 0.92 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 66 L 8.05 4.24 0.00 1.55 1.61 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.49 0.00 2.06 2.09 0.00 3.66 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 1.97 1.92 0.00 68 L 8.20 4.88 0.00 1.49 1.56 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.59 4.24 0.00 2.80 2.47 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 70 T 8.36 4.29 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 1.20 0.00 0.00 71 Y 7.45 4.72 0.00 2.99 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 72 V 7.08 4.67 2.19 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 0.82 0.00 0.00 0.97 0.00 0.00 73 E 8.88 4.10 0.00 1.99 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 2.34 2.33 0.00 74 S 7.61 4.50 0.00 3.76 3.67 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 75 P 0.00 4.73 0.00 2.10 2.41 0.00 3.66 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 2.01 1.92 0.00 76 A 7.83 5.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.91 5.16 1.24 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 0.00 0.00 0.00 78 V 8.65 4.92 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 0.68 0.00 0.00 -0.29 0.00 0.00 79 M 8.07 4.59 0.00 1.87 0.85 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 80 D 8.99 4.80 0.00 2.69 2.56 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 81 L 8.29 3.41 0.00 1.43 1.35 0.30 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.53 3.89 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 0.88 0.00 0.00 1.05 0.00 0.00 83 P 0.00 4.21 0.00 2.02 2.16 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 84 S 8.13 4.27 0.00 3.88 3.93 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 85 D 8.07 4.38 0.00 2.79 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 86 K 7.90 4.08 0.00 1.88 1.87 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.57 7.81 87 E 7.83 4.17 0.00 2.14 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 0.00 2.29 2.34 0.00 88 K 8.05 4.32 0.00 1.86 1.87 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 89 G 7.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.02 3.85 0.00 1.77 1.47 0.97 0.68 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 91 Q 8.23 4.26 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.17 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 92 T 7.40 4.24 3.29 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 -0.26 0.00 0.00 93 P 0.00 4.14 0.00 2.21 2.21 0.00 3.55 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 94 I 7.55 3.44 1.71 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 0.86 1.16 0.68 0.00 0.00 95 W 7.65 4.15 0.00 3.33 3.09 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 96 K 8.22 4.04 0.00 1.93 1.87 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.46 7.81 97 R 7.74 3.95 0.00 1.91 2.08 0.00 3.27 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 98 Y 7.91 4.40 0.00 3.26 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 99 E 8.60 4.03 0.00 2.19 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 2.57 2.57 0.00 100 S 8.17 4.27 0.00 4.10 3.94 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 0.00 101 L 8.35 4.08 0.00 1.74 1.74 1.05 0.89 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 0.00 102 L 8.20 4.02 0.00 1.95 1.72 0.92 0.29 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 0.00 103 L 7.95 4.17 0.00 2.00 1.67 0.93 0.67 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 0.00 104 E 8.16 4.29 0.00 2.14 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 2.36 2.62 0.00 105 A 7.17 4.53 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 0.00 106 D 8.34 4.29 0.00 2.77 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 0.00 107 C 8.24 4.57 0.00 2.88 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 0.00 108 K 8.46 4.38 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.52 7.81 109 K 7.72 4.18 0.00 1.73 1.73 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.36 7.81 110 T 7.83 4.84 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 1.20 0.00 0.00 111 L 8.70 4.11 0.00 1.37 1.37 0.80 0.73 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 0.00 112 M 8.74 4.29 0.00 2.09 1.89 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 2.55 2.51 0.00 113 K 8.55 4.79 0.00 1.59 1.60 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.85 1.25 7.81 114 L 8.67 4.75 0.00 1.85 1.68 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.69 4.19 0.00 2.10 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 0.00 2.38 2.44 0.00 116 R 8.57 3.52 0.00 1.60 1.17 0.00 2.21 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.41 0.00 117 F 7.84 4.65 0.00 3.20 3.09 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 0.00 118 E 8.14 4.10 0.00 2.27 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 2.47 2.44 0.00 119 F 8.61 4.03 0.00 3.12 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 0.00 120 Y 8.14 4.68 0.00 3.47 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 0.00 121 E 8.09 4.03 0.00 2.26 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 2.37 2.44 0.00 122 R 8.13 4.02 0.00 1.85 1.78 0.00 3.31 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 123 A 8.25 3.99 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 0.00 124 K 8.10 4.07 0.00 1.97 1.90 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.27 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.73 7.81 125 K 7.53 4.38 0.00 1.76 1.84 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.58 7.81 126 A 6.99 4.27 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 0.00 127 F 9.36 4.29 0.00 3.14 3.12 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 0.00 128 A 7.84 5.10 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 0.00 129 V 8.94 4.72 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 1.00 0.00 0.00 1.01 0.00 0.00 130 V 9.13 4.71 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 0.99 0.00 0.00 0.94 0.00 0.00 131 A 9.09 4.67 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 0.00 132 T 8.44 4.77 4.48 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 1.31 0.00 0.00 133 G 8.65 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 0.00 0.00 0.00 0.00 134 E 8.17 4.21 0.00 2.15 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 2.43 2.47 0.00 135 M 8.57 4.41 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 136 A 8.29 4.11 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 0.00 137 L 8.34 4.09 0.00 1.68 1.77 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.17 3.55 0.00 3.07 3.36 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 0.00 139 G 8.06 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 0.00 140 N 8.17 4.75 0.00 2.41 2.73 0.00 0.00 6.51 7.32 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 0.00 141 I 8.80 5.08 1.67 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 1.11 1.77 0.61 0.00 0.00 142 I 9.01 4.93 1.78 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.59 0.89 0.00 0.00 143 L 8.69 5.20 0.00 1.50 1.45 0.84 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.60 4.85 0.00 1.78 1.61 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.46 7.81 145 K 9.07 4.25 0.00 1.77 1.71 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.30 7.81 146 G 8.79 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 0.00 0.00 0.00 147 T 8.14 4.54 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 1.16 0.00 0.00 148 L 8.06 4.53 0.00 1.54 1.50 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 149 D 8.03 4.51 0.00 2.64 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 0.00 0.00 0.00 0.00