NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0564 8.2048 120.4230 54.9841 33.3214 175.5229 2 R 5.1316 7.5583 116.2562 53.5375 34.5312 174.0243 3 I 4.0198 9.3081 125.6634 61.1444 38.9644 174.3208 4 Y 5.2714 8.6300 122.2200 58.2601 41.1868 174.9205 5 Y 5.2897 9.0143 118.7741 56.3146 42.9914 174.1115 6 I 4.7172 7.4982 123.7519 59.5784 42.7855 174.8443 7 G 3.7987 7.1649 108.1782 46.6721 0.0000 171.1751 8 V 4.9230 7.7114 118.7200 61.3708 35.6541 175.1362 9 F 5.7443 8.7463 121.6581 56.8061 44.1487 173.5096 10 R 4.4554 8.6824 124.3020 54.9716 31.1282 173.9632 11 S 4.4508 8.9699 124.6594 58.4213 63.1479 175.2767 12 G 4.1315 8.6162 118.9704 45.1953 0.0000 173.7747 13 G 3.9961 8.0988 115.1483 45.1716 0.0000 177.1418 14 E 4.0922 9.0810 125.1379 57.4897 29.9877 176.2889 15 K 4.5964 8.0307 118.0754 53.0829 35.2358 173.8407 16 A 4.8763 8.2590 125.7408 50.2127 20.3291 176.8136 17 L 4.0925 9.0785 126.4563 54.4964 43.1028 177.4833 18 E 3.9109 8.5302 126.3016 55.6627 26.1983 175.7260 19 L 4.0451 8.1447 120.6386 57.8667 41.8135 178.4758 20 S 4.7049 8.2010 111.6961 56.6718 67.2684 172.3543 21 E 4.9022 8.7662 122.4175 53.5108 32.2958 174.7584 22 V 4.4393 8.4125 126.9913 59.7467 34.2841 174.9178 23 K 4.9883 8.5878 121.9308 54.8229 35.1809 175.5013 24 D 4.5744 9.5049 121.7546 53.1685 44.0301 173.9836 25 L 4.8830 8.5438 126.3451 53.0519 42.2038 176.9423 26 S 4.2197 7.9132 117.7059 61.3719 63.5756 176.2253 27 Q 4.0341 7.2734 118.0110 58.4457 28.8245 177.2490 28 F 4.7859 6.6676 116.8337 56.2235 37.8347 177.9862 29 G 3.8214 8.0507 116.0910 44.9427 0.0000 171.6140 30 F 4.4923 7.0951 113.3937 57.2923 38.5040 176.6973 31 F 5.0805 8.1974 118.2699 59.0942 43.1855 176.2909 32 E 4.8817 8.2040 119.4526 56.3676 30.2298 177.8966 33 R 3.9966 8.0517 119.5182 59.6350 30.1284 178.2995 34 S 4.0903 8.0639 112.4724 61.2620 62.7550 175.8154 35 S 4.0460 7.9936 116.3129 61.6066 62.6571 176.1932 36 V 3.4284 8.2636 123.2630 65.1299 31.0632 177.7802 37 G 3.9672 7.9611 105.2089 48.4795 0.0000 175.4630 38 Q 4.0711 8.0601 120.6065 58.2528 28.7572 179.1334 39 F 4.3595 8.1458 121.7142 61.6049 39.5033 176.8547 40 M 3.8308 8.6600 118.6064 58.8817 31.7227 178.6565 41 T 3.3717 8.0635 115.5256 66.5361 68.8467 176.2167 42 F 4.2262 8.3717 122.2107 61.8770 39.3271 177.6867 43 F 3.5720 7.9189 116.4386 60.1457 38.6365 177.6125 44 A 3.6434 8.0301 120.9836 54.8835 18.0680 179.5578 45 E 3.1006 8.5239 116.8381 59.4211 29.7066 179.4601 46 T 3.4866 7.1736 116.4169 66.4260 68.2889 176.4171 47 V 3.4103 7.9008 114.0439 64.9062 31.3971 178.4077 48 A 3.5605 7.1449 119.1562 55.5277 18.1807 179.5989 49 S 4.1615 7.7468 113.6047 61.6447 62.6292 176.9521 50 R 4.1491 8.2140 120.3857 57.7426 29.9864 176.7467 51 T 4.3700 8.4544 117.0310 62.5277 68.0185 175.0355 52 G 3.7776 8.4319 119.4793 45.5726 0.0000 170.5101 53 A 3.5458 8.7858 126.7279 52.2362 18.4677 179.3136 54 G 3.9451 8.9952 104.3591 45.4146 0.0000 172.8658 55 E 4.8212 7.6372 116.4950 55.1319 33.6144 174.1287 56 R 5.0885 8.4849 117.9103 54.6288 33.7455 175.3105 57 Q 4.5571 8.3360 118.0966 54.5570 33.7120 174.9535 58 S 4.7882 8.4238 117.0836 56.7979 66.1624 174.0424 59 I 3.9648 8.0879 120.6394 59.8247 38.2399 174.8647 60 E 4.7046 8.5256 127.8633 55.4618 30.1907 175.8770 61 E 4.6647 9.6091 126.3562 53.3816 32.5834 176.4655 62 G 4.0731 8.5682 109.4997 49.0885 0.0000 174.0447 63 N 4.6234 7.9627 116.2572 51.2205 39.3015 173.0462 64 Y 4.9718 7.6675 112.8569 56.7265 43.5970 174.8246 65 I 4.6794 9.4497 122.7258 59.7972 40.9172 175.1440 66 G 3.9643 8.7523 117.6356 44.4352 0.0000 172.1536 67 H 4.6379 8.4755 123.4179 56.7772 30.9801 174.4413 68 V 4.3698 7.8666 119.1202 61.8100 35.4379 172.9517 69 Y 4.9206 8.8340 124.7496 56.2395 41.0359 174.6261 70 A 4.7277 8.1723 126.7275 50.9513 19.7536 177.3930 71 R 4.2916 8.3405 116.8529 56.0241 31.7622 176.7382 72 S 4.6963 8.7871 112.4281 58.5604 63.5438 173.9130 73 E 4.6633 7.5650 117.0052 56.3307 32.1232 176.0863 74 G 4.3125 7.9571 107.9610 45.5552 0.0000 172.6923 75 I 4.4146 7.8430 113.7422 59.2503 39.3787 175.8842 76 C 4.5046 8.4795 125.0322 59.0736 30.3541 172.4646 77 G 4.4942 8.7260 105.4913 45.0824 0.0000 172.2431 78 V 4.9235 8.9952 121.8757 60.7537 35.4442 174.0195 79 L 5.2152 8.7627 126.2833 53.6254 46.3156 175.5512 80 I 4.9013 9.0544 125.1510 60.7158 41.6171 173.9945 81 T 4.6247 9.1071 122.1066 60.6331 71.1968 172.0928 82 D 4.8191 8.0205 120.2690 53.5003 42.0528 177.9568 83 K 3.9247 8.8325 122.0647 59.4397 32.6433 177.3272 84 Q 4.5249 8.2909 118.7385 56.1888 28.7522 175.6066 85 Y 4.8260 7.4401 118.6248 54.2284 39.1437 171.5568 86 P 4.2185 0.0000 0.0000 61.5510 32.7583 177.5675 87 V 3.6802 8.4989 120.4834 65.5237 31.5750 178.5041 88 R 3.9690 8.0991 117.8255 59.2145 29.9847 177.0431 89 P 4.4036 0.0000 0.0000 65.3390 31.4109 178.5898 90 A 4.2704 7.6682 119.5838 54.8645 18.2929 179.1999 91 Y 3.0460 8.2371 118.9013 61.0021 38.9603 177.8635 92 T 3.9907 7.9860 113.9476 65.0208 67.3923 175.8283 93 L 4.2282 8.4992 123.2189 57.9124 42.1832 178.8141 94 L 4.0094 7.7054 119.4280 58.2912 40.2126 178.8591 95 N 4.3554 7.8736 118.0659 56.2698 38.6729 177.4439 96 K 4.0714 8.4396 119.7488 59.4093 32.1238 179.3450 97 I 3.5261 7.9397 119.0369 64.1638 38.1257 177.9706 98 L 3.8190 7.7824 119.2922 57.8114 41.4535 179.1181 99 D 4.4135 8.2459 117.9746 56.9085 41.1604 177.9272 100 E 3.9477 8.4276 120.6494 59.1237 29.3931 178.1112 101 Y 3.7619 8.4655 119.6142 60.3916 38.9514 177.4507 102 L 4.0108 7.6319 119.3852 58.2326 40.8897 179.2247 103 V 3.7792 7.9115 119.2985 66.0045 31.3760 177.6399 104 A 4.0070 7.5552 119.3969 54.4154 18.3401 177.3793 105 H 4.7586 8.1852 110.1831 54.4797 31.6374 171.3922 106 P 4.1287 0.0000 0.0000 60.2641 32.8641 176.2831 107 K 3.4589 8.7244 120.8793 60.0172 32.0663 178.9871 108 E 3.4566 7.5036 118.4549 58.4123 29.9744 178.1707 109 E 3.9065 7.0144 119.2610 58.1338 29.8092 177.2085 110 W 4.4690 7.0641 112.5162 57.5951 29.2079 178.1031 111 A 3.8484 6.3906 118.6100 52.4525 18.4843 177.1747 112 D 4.8180 7.5812 112.1270 52.7478 43.8828 176.5380 113 V 3.6637 9.5601 123.7942 63.1857 31.4817 173.7046 114 T 3.5032 8.4351 106.1643 61.7362 67.8828 171.6185 115 E 4.4776 7.7306 117.4785 56.5027 31.2293 174.5452 116 T 4.7841 8.2257 119.6677 61.9551 73.0738 173.4427 117 N 5.1733 8.1418 119.0371 51.1386 38.0507 175.3801 118 D 4.3180 8.0910 120.2745 55.5504 39.8879 179.0881 119 A 4.3274 7.8182 120.9547 53.5013 19.1609 178.1677 120 L 4.4643 8.3610 117.1068 54.6557 43.0354 174.4366 121 K 4.3695 7.8628 117.0493 55.2347 35.1281 175.0815 122 M 2.9439 8.3998 122.8582 55.9989 28.4425 177.8010 123 K 4.5543 7.6198 121.0462 59.1160 32.6448 178.9108 124 Q 3.8737 7.9162 117.9488 58.7102 28.8462 177.8910 125 L 3.9367 7.7874 120.6770 58.6251 41.9984 178.9748 126 D 4.3046 7.9379 118.1053 57.7813 41.0510 178.8183 127 T 4.0220 8.2450 116.1806 66.7425 68.2928 176.4511 128 Y 4.1813 8.8653 119.2637 61.3140 37.8713 178.1414 129 I 3.4171 7.7716 117.7651 63.9212 38.0271 177.6507 130 S 4.2984 7.9088 113.2623 61.3123 62.7963 175.7831 131 K 4.1989 8.0835 120.4499 58.8513 32.0213 178.5635 132 Y 4.1745 9.1399 117.5356 60.2184 37.7774 178.3629 133 Q 3.9737 7.8313 118.7682 59.0449 29.2480 177.9030 134 D 4.8806 7.9865 117.0797 52.8193 41.5074 175.3640 135 P 4.0699 0.0000 0.0000 66.0317 31.1196 176.7883 136 S 4.4321 7.8138 112.5410 60.0266 69.8476 175.9637 137 Q 3.6926 8.1566 119.4625 54.6796 28.3840 173.0950 138 A 3.3952 7.7706 117.9351 53.3915 16.4856 176.3186 139 D 3.9869 8.0142 114.1378 56.5373 39.8280 173.1378 140 A 4.0787 7.4980 125.2873 51.8921 18.4471 178.2278 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 8.20 5.06 0.00 2.04 2.12 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 2.62 2.43 0.00 2 R 7.56 5.13 0.00 1.61 1.45 0.00 3.40 0.00 0.00 3.22 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 3 I 9.31 4.02 1.59 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.80 1.05 0.00 0.00 4 Y 8.63 5.27 0.00 3.23 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 9.01 5.29 0.00 3.08 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 6 I 7.50 4.72 1.80 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.42 0.94 0.00 0.00 7 G 7.16 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.71 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 0.73 0.00 0.00 0.91 0.00 0.00 9 F 8.75 5.74 0.00 2.94 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 10 R 8.68 4.46 0.00 1.84 1.86 0.00 3.42 0.00 0.00 3.64 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 11 S 8.97 4.45 0.00 3.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.62 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 13 G 8.10 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 14 E 9.08 4.09 0.00 1.96 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 2.29 2.27 0.00 15 K 8.03 4.60 0.00 1.70 1.60 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.32 7.81 16 A 8.26 4.88 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 17 L 9.08 4.09 0.00 1.86 1.72 1.02 0.83 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 18 E 8.53 3.91 0.00 2.03 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 0.00 2.33 2.37 0.00 19 L 8.14 4.05 0.00 1.41 1.69 0.14 1.01 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 S 8.20 4.70 0.00 3.80 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.77 4.90 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 22 V 8.41 4.44 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 0.55 0.00 0.00 0.89 0.00 0.00 23 K 8.59 4.99 0.00 1.73 1.91 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.57 1.55 7.81 24 D 9.50 4.57 0.00 2.91 2.80 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 0.00 0.00 0.00 0.00 25 L 8.54 4.88 0.00 1.74 1.91 1.07 1.29 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 26 S 7.91 4.22 0.00 3.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.27 4.03 0.00 1.84 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.52 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 28 F 6.67 4.79 0.00 3.07 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 29 G 8.05 3.82 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 0.00 0.00 0.00 30 F 7.10 4.49 0.00 2.74 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 31 F 8.20 5.08 0.00 3.14 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 32 E 8.20 4.88 0.00 2.13 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 2.41 2.20 0.00 33 R 8.05 4.00 0.00 2.44 2.02 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 34 S 8.06 4.09 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.99 4.05 0.00 3.95 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 36 V 8.26 3.43 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 0.06 0.00 0.00 0.36 0.00 0.00 37 G 7.96 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 38 Q 8.06 4.07 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 39 F 8.15 4.36 0.00 3.12 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 40 M 8.66 3.83 0.00 2.05 2.38 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.93 0.00 41 T 8.06 3.37 4.34 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 1.44 0.00 0.00 42 F 8.37 4.23 0.00 3.08 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 43 F 7.92 3.57 0.00 3.10 2.62 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 0.00 44 A 8.03 3.64 1.10 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 0.00 0.00 45 E 8.52 3.10 0.00 2.17 2.35 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 2.38 2.13 0.00 46 T 7.17 3.49 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 0.92 0.00 0.00 47 V 7.90 3.41 1.86 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 0.83 0.00 0.00 0.67 0.00 0.00 48 A 7.14 3.56 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 49 S 7.75 4.16 0.00 3.93 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 R 8.21 4.15 0.00 1.92 1.90 0.00 3.10 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 51 T 8.45 4.37 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 1.16 0.00 0.00 52 G 8.43 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.79 3.55 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 54 G 9.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.64 4.82 0.00 1.83 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 2.17 2.26 0.00 56 R 8.48 5.09 0.00 1.69 1.94 0.00 3.29 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 57 Q 8.34 4.56 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 58 S 8.42 4.79 0.00 3.65 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 59 I 8.09 3.96 1.40 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.81 0.82 0.00 0.00 60 E 8.53 4.70 0.00 1.82 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 2.26 2.30 0.00 61 E 9.61 4.66 0.00 1.82 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 2.16 2.06 0.00 62 G 8.57 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 0.00 0.00 0.00 63 N 7.96 4.62 0.00 2.53 2.17 0.00 0.00 6.74 7.50 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 64 Y 7.67 4.97 0.00 2.79 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 65 I 9.45 4.68 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.89 0.47 0.00 0.00 66 G 8.75 3.96 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 0.00 0.00 0.00 67 H 8.48 4.64 0.00 3.04 2.71 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.87 4.37 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 0.89 0.00 0.00 0.75 0.00 0.00 69 Y 8.83 4.92 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.17 4.73 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 71 R 8.34 4.29 0.00 1.96 2.14 0.00 2.98 0.00 0.00 3.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 72 S 8.79 4.70 0.00 3.90 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 73 E 7.56 4.66 0.00 2.34 2.26 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 2.41 2.43 0.00 74 G 7.96 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 0.00 0.00 0.00 0.00 75 I 7.84 4.41 1.67 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 0.63 -0.36 1.08 0.00 0.00 76 C 8.48 4.50 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.73 4.49 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 78 V 9.00 4.92 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 1.06 0.00 0.00 0.73 0.00 0.00 79 L 8.76 5.22 0.00 1.71 1.43 1.09 1.07 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 80 I 9.05 4.90 2.04 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 0.89 0.00 0.00 81 T 9.11 4.62 3.40 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 0.61 0.00 0.00 82 D 8.02 4.82 0.00 2.97 2.54 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 83 K 8.83 3.92 0.00 1.79 1.90 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.48 7.81 84 Q 8.29 4.52 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 85 Y 7.44 4.83 0.00 2.90 2.95 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 86 P 0.00 4.22 0.00 2.13 1.95 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 87 V 8.50 3.68 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 1.30 0.00 0.00 1.05 0.00 0.00 88 R 8.10 3.97 0.00 1.89 1.96 0.00 3.16 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 89 P 0.00 4.40 0.00 2.22 2.22 0.00 3.70 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 2.15 2.12 0.00 90 A 7.67 4.27 1.61 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 91 Y 8.24 3.05 0.00 3.10 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 92 T 7.99 3.99 4.32 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 1.43 0.00 0.00 93 L 8.50 4.23 0.00 1.28 1.62 0.18 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.71 4.01 0.00 1.56 0.85 0.70 -1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.87 4.36 0.00 2.94 2.95 0.00 0.00 7.02 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 96 K 8.44 4.07 0.00 2.12 1.99 0.00 1.86 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.57 7.81 97 I 7.94 3.53 2.01 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 1.49 1.27 0.93 0.00 0.00 98 L 7.78 3.82 0.00 2.01 1.66 0.81 0.88 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 99 D 8.25 4.41 0.00 2.95 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 0.00 100 E 8.43 3.95 0.00 2.07 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 0.00 2.14 2.25 0.00 101 Y 8.47 3.76 0.00 2.89 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 0.00 102 L 7.63 4.01 0.00 2.46 1.67 1.12 0.94 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 0.00 103 V 7.91 3.78 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 1.02 0.00 0.00 1.04 0.00 0.00 104 A 7.56 4.01 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 0.00 105 H 8.19 4.76 0.00 3.38 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.13 0.00 2.12 1.93 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 107 K 8.72 3.46 0.00 1.69 1.51 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.75 7.81 108 E 7.50 3.46 0.00 1.76 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 109 E 7.01 3.91 0.00 1.89 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 0.00 2.44 2.31 0.00 110 W 7.06 4.47 0.00 3.72 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 0.00 111 A 6.39 3.85 1.26 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 0.00 0.00 0.00 112 D 7.58 4.82 0.00 2.70 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 0.00 113 V 9.56 3.66 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 1.01 0.00 0.00 1.31 0.00 0.00 114 T 8.44 3.50 4.28 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 1.26 0.00 0.00 115 E 7.73 4.48 0.00 2.06 1.99 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 2.46 2.28 0.00 116 T 8.23 4.78 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 1.31 0.00 0.00 117 N 8.14 5.17 0.00 2.72 2.70 0.00 0.00 6.54 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 0.00 118 D 8.09 4.32 0.00 2.87 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 0.00 119 A 7.82 4.33 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 0.00 120 L 8.36 4.46 0.00 1.51 1.56 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.86 4.37 0.00 1.69 1.60 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.40 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.18 1.29 7.81 122 M 8.40 2.94 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 123 K 7.62 4.55 0.00 1.80 1.87 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.45 7.81 124 Q 7.92 3.87 0.00 2.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 125 L 7.79 3.94 0.00 1.61 1.81 0.93 1.14 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 0.00 126 D 7.94 4.30 0.00 2.90 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 0.00 127 T 8.24 4.02 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 1.28 0.00 0.00 128 Y 8.87 4.18 0.00 3.28 3.37 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 0.00 129 I 7.77 3.42 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.09 1.04 0.00 0.00 130 S 7.91 4.30 0.00 4.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.08 4.20 0.00 1.82 1.88 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.48 7.81 132 Y 9.14 4.17 0.00 3.31 3.28 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 0.00 133 Q 7.83 3.97 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 134 D 7.99 4.88 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.07 0.00 2.08 2.15 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 136 S 7.81 4.43 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.16 3.69 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.01 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 138 A 7.77 3.40 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 0.00 139 D 8.01 3.99 0.00 2.71 2.62 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 0.00 140 A 7.50 4.08 1.26 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 0.00 0.00 0.00