NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 G 3.7835 8.3393 109.7364 45.3989 0.0000 174.0856 *2 S 4.2161 8.0612 115.1950 57.8531 64.3284 173.3864 3 N 4.3767 8.4630 118.5092 56.7060 38.6149 178.0963 4 N 3.9185 7.2790 113.6514 53.3961 37.9810 176.7287 *6 Q 4.1326 8.2363 121.3367 56.5013 31.1025 177.2135 7 T 3.8098 8.0463 114.7778 66.5163 68.3540 176.6863 8 V 2.8559 7.7452 120.2224 65.9501 31.4200 178.1842 9 R 4.1528 7.8681 117.2318 59.4691 29.8614 178.5819 10 E 3.9955 8.6820 119.3877 59.1442 29.5051 178.8048 11 S 4.1007 8.0255 113.5258 61.5042 62.4107 175.7396 12 Y 4.2644 7.8153 119.1568 60.9775 37.4254 178.3916 13 E 4.1188 8.3169 119.5924 59.3995 29.6294 179.0360 14 A 4.0392 8.3269 121.0295 55.2000 18.4369 179.3653 15 F 4.0041 8.5508 119.1323 61.9289 39.3284 177.0598 16 H 4.4064 8.2922 113.7915 57.9851 28.6087 177.0177 17 R 4.2780 7.7605 120.6645 55.9727 30.5879 176.8064 18 R 3.6012 7.5588 116.2037 57.3772 27.3986 182.9607 19 D 4.7370 7.6537 120.3661 52.8002 40.9063 174.9066 20 L 3.8682 8.0830 127.3074 57.5262 42.4151 176.3721 21 P 4.3097 0.0000 0.0000 65.6627 31.0124 178.7755 22 G 3.6386 8.2805 103.5749 47.6819 0.0000 175.6980 23 V 3.7867 7.7917 120.5131 65.8927 31.5870 178.2630 24 L 3.8777 8.1085 118.4419 57.3850 41.1116 179.1264 25 A 4.0016 7.9020 120.0725 54.9866 18.5528 178.3985 26 A 4.2774 7.8899 117.8564 53.5563 19.0781 176.7966 27 L 5.0240 7.6197 116.0622 52.5099 43.6076 176.6453 28 A 4.2734 8.7490 126.3692 51.4632 19.0973 176.8649 29 P 4.0480 0.0000 0.0000 65.3280 31.5470 177.5720 30 D 4.9075 7.9503 115.4890 53.7317 41.2595 176.0759 31 V 3.9702 7.5613 117.8907 62.4986 32.5734 175.2670 32 R 4.9937 9.0866 122.5324 54.4638 32.4792 174.8699 33 W 5.0031 9.4727 135.0000 55.9702 33.2510 174.1913 34 T 5.1156 8.7353 124.5123 62.0482 71.6071 173.1772 35 H 5.0665 8.8387 121.4378 52.8671 33.0252 171.5910 36 P 4.4342 0.0000 0.0000 62.4863 31.7016 177.8604 37 D 4.3972 8.6528 121.6957 57.3123 41.1920 178.8423 38 G 3.8592 7.7299 110.3813 44.9378 0.0000 174.2083 *40 S 4.5794 8.0417 115.0701 57.5922 65.1693 174.3989 41 P 4.1554 0.0000 0.0000 64.8761 31.0989 176.3690 42 Y 4.1214 8.1070 113.4673 57.2194 38.1961 175.9292 43 G 3.9512 8.3053 107.9244 46.3253 0.0000 174.1202 44 L 4.5016 8.1571 116.6710 53.9047 42.5687 176.1716 45 G 4.1395 8.3001 107.5210 44.2768 0.0000 173.8313 46 G 3.8216 8.4158 107.0723 44.9104 0.0000 171.6561 47 T 4.9296 8.2345 114.9979 61.9247 69.9898 174.8276 48 K 4.6572 9.3880 127.0776 55.6782 34.1159 175.2451 49 H 5.2733 9.7658 125.1753 55.6966 31.7416 174.8879 50 G 4.2812 9.3344 110.8410 43.9113 0.0000 173.7042 51 H 4.0182 8.6401 115.9173 58.8600 28.6357 177.8666 52 D 4.3339 8.0233 120.0965 57.5451 40.7240 178.6355 53 E 4.0210 8.0695 118.5275 59.1608 29.4391 179.4540 54 V 3.0447 7.5399 118.2482 65.7965 31.4100 178.0655 55 I 3.5520 7.8956 119.7093 64.3619 36.7183 178.1775 56 A 3.9905 7.8279 120.2734 55.0505 18.4657 179.1684 57 F 4.2661 8.2588 118.9995 61.7155 39.2946 177.2901 58 I 3.9839 8.1898 119.5059 64.7775 36.7260 178.6411 59 R 4.0025 8.1751 117.5592 58.8546 30.1736 177.9437 60 H 4.4096 8.1649 118.1371 58.1388 29.8243 177.0161 61 V 3.4854 7.3581 120.3253 65.7626 31.0880 176.1330 62 P 4.9596 0.0000 0.0000 64.6424 31.1610 178.0703 63 T 3.8950 7.6715 114.4783 66.1010 68.4642 174.4976 64 H 4.8228 8.0624 115.7998 55.4787 31.7304 173.4266 65 I 4.6188 7.9628 120.3604 59.3112 39.1177 175.9528 66 A 4.1700 8.8508 128.3868 54.5514 19.4134 176.1007 67 E 4.4174 7.6660 114.0454 55.2745 33.8731 173.4646 *69 R 4.6361 8.4204 119.4576 56.3231 31.2739 174.5128 70 L 4.6487 9.2425 126.3154 54.2701 43.2057 177.1241 71 A 4.7638 9.2630 124.5927 49.0516 19.0365 172.6219 72 P 4.5035 0.0000 0.0000 62.5633 31.7159 175.9315 73 D 4.9069 9.1400 122.7996 54.5853 44.1190 175.8492 74 E 4.7873 7.5904 118.6119 54.4455 33.3583 173.9431 75 F 5.1257 9.0818 124.5728 55.8534 42.2188 174.4768 76 I 4.4763 9.2627 125.6801 59.6359 39.5325 174.0277 77 E 5.2333 8.8205 128.0901 54.3425 32.0251 175.3587 78 S 4.4884 8.9654 120.9541 57.6313 66.1649 173.2328 79 G 3.7508 8.3953 117.4768 47.5115 0.0000 173.5461 80 E 4.5922 8.8372 124.5054 56.0077 29.7052 174.6692 81 R 5.3794 8.0828 119.2262 54.6652 32.9087 175.3054 82 I 5.1651 9.1544 123.3815 59.6653 41.3522 174.2791 83 V 4.9713 9.1498 127.3852 61.1414 33.9696 174.2689 84 V 4.7063 9.2162 127.9708 61.0467 34.0871 174.1817 85 L 4.6509 8.0421 127.2426 53.1328 45.4793 176.5011 86 G 3.5048 6.3883 106.0916 46.0292 0.0000 171.9520 87 T 5.4262 7.7943 109.2035 59.9316 72.5371 173.2164 88 R 5.1699 9.1765 117.8521 54.8034 33.3537 173.7392 89 R 4.8932 8.8868 122.7737 55.0028 31.4472 175.4458 90 V 4.6927 8.7958 126.4768 61.3601 34.8339 174.0556 91 T 5.1281 8.8908 124.2277 61.6544 71.0518 173.9172 92 A 4.5857 8.9978 128.9218 51.2590 19.5133 178.5190 93 V 3.5202 8.5414 120.0182 65.9391 31.6185 177.3386 94 N 4.4404 8.0395 115.0245 53.9379 37.2566 175.6671 95 G 3.9929 8.2201 108.1940 45.3089 0.0000 174.2519 96 R 4.2922 8.4952 119.4266 55.8600 30.9405 175.7015 97 S 5.1960 8.0675 115.0420 57.2270 66.8352 172.9791 98 A 4.5879 8.4491 121.8274 51.7113 23.0256 175.2116 99 T 4.9012 8.4360 116.0826 62.2317 70.1982 174.3395 100 L 4.9507 9.0203 125.2815 52.9733 46.3644 175.3629 101 K 5.1243 8.5875 119.0030 55.0881 34.5038 176.0498 102 F 5.1345 8.5372 116.5807 55.2942 42.1152 173.5689 103 V 4.7395 8.7465 119.2056 61.6267 34.6717 173.6600 104 H 5.2362 9.5787 125.5219 54.0014 31.6265 173.3905 105 V 4.6762 8.2424 123.5661 60.9380 33.6158 174.1814 106 W 5.2753 9.5459 128.1882 54.9588 32.3713 174.8873 107 R 5.1260 8.8965 122.7508 54.5988 32.9479 174.6179 108 F 5.3056 9.4322 123.2242 56.1119 41.4789 175.5327 109 E 4.8163 8.9861 120.5975 56.0310 32.7262 175.8104 110 N 4.0354 9.3379 121.7770 54.4199 36.7979 175.5172 111 G 4.5073 8.7566 103.5164 45.8574 0.0000 174.2116 112 R 4.9843 8.0183 117.9849 53.8666 33.5197 174.5479 113 A 4.1198 9.0919 123.7189 51.9358 18.8013 178.8445 114 V 4.1466 8.7939 117.3112 63.5678 33.2073 176.5829 115 T 5.2221 7.7385 109.0927 59.9172 72.6119 172.8554 116 F 4.9248 8.8220 124.5455 56.6615 43.3327 172.8174 117 E 4.4209 7.5585 125.2711 54.4258 33.4152 172.9009 118 D 5.1153 7.8567 126.3740 52.8411 43.0546 174.8531 119 H 4.9577 9.0488 123.9242 54.0673 31.4287 173.4201 120 F 4.9490 7.7845 116.3409 56.1592 40.6310 173.8357 121 D 4.5469 9.0260 119.2627 53.9610 39.6707 175.5415 122 T 4.1138 8.2662 117.0189 64.2741 69.4929 176.0838 123 A 4.1628 8.1754 124.8166 55.2319 18.7144 179.3049 124 E 4.4176 8.3930 114.6584 56.9619 29.2431 179.2582 *126 I 3.7915 7.9198 121.4758 61.3348 39.1429 178.0593 127 R 3.8536 8.1408 119.4873 59.3128 30.1416 177.5061 128 L 4.0907 7.8227 118.6457 57.7727 42.0878 177.7325 129 I 4.0203 7.3853 109.0060 61.8835 38.3183 175.5713 130 T 4.1835 7.7492 115.7236 61.1989 67.9210 173.7174 131 A 4.2179 8.6447 125.8385 52.7203 18.2929 177.5464 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 *0 G 8.34 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 *2 S 8.06 4.22 0.00 3.93 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 3 N 8.46 4.38 0.00 2.68 2.82 0.00 0.00 6.86 6.92 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 4 N 7.28 3.92 0.00 2.46 1.68 0.00 0.00 6.60 7.41 0.00 0.00 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 Q 8.24 4.13 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 7 T 8.05 3.81 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 1.34 0.00 0.00 8 V 7.75 2.86 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 1.06 0.00 0.00 0.38 0.00 0.00 9 R 7.87 4.15 0.00 1.80 1.92 0.00 2.93 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.34 0.00 10 E 8.68 4.00 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 11 S 8.03 4.10 0.00 4.01 3.74 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 12 Y 7.82 4.26 0.00 3.37 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 13 E 8.32 4.12 0.00 2.16 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 2.68 2.54 0.00 14 A 8.33 4.04 1.49 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 15 F 8.55 4.00 0.00 3.19 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 16 H 8.29 4.41 0.00 3.32 3.46 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.76 4.28 0.00 1.89 1.97 0.00 3.33 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 18 R 7.56 3.60 0.00 2.00 1.86 0.00 3.24 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 19 D 7.65 4.74 0.00 2.78 2.75 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 20 L 8.08 3.87 0.00 1.76 1.62 0.83 0.93 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 21 P 0.00 4.31 0.00 2.18 2.08 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 22 G 8.28 3.64 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 0.00 0.00 0.00 23 V 7.79 3.79 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 1.00 0.00 0.00 1.03 0.00 0.00 24 L 8.11 3.88 0.00 1.77 1.45 0.83 0.18 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 25 A 7.90 4.00 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 26 A 7.89 4.28 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 27 L 7.62 5.02 0.00 1.65 1.59 0.54 0.73 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 28 A 8.75 4.27 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 29 P 0.00 4.05 0.00 2.15 2.02 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 30 D 7.95 4.91 0.00 2.63 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 31 V 7.56 3.97 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 0.84 0.00 0.00 1.13 0.00 0.00 32 R 9.09 4.99 0.00 1.76 1.88 0.00 3.02 0.00 0.00 3.04 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 33 W 9.47 5.00 0.00 3.19 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 34 T 8.74 5.12 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 1.08 0.00 0.00 35 H 8.84 5.07 0.00 3.28 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.69 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 4.43 0.00 1.85 1.65 0.00 3.56 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 0.75 1.71 0.00 37 D 8.65 4.40 0.00 2.64 2.73 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 0.00 0.00 0.00 38 G 7.73 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 0.00 0.00 0.00 *40 S 8.04 4.58 0.00 4.08 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.16 0.00 1.87 2.01 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 42 Y 8.11 4.12 0.00 2.96 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 43 G 8.31 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 44 L 8.16 4.50 0.00 1.68 1.66 0.90 0.11 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 45 G 8.30 4.14 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 0.00 0.00 0.00 46 G 8.42 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 47 T 8.23 4.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 K 9.39 4.66 0.00 1.83 1.79 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.68 1.76 7.81 49 H 9.77 5.27 0.00 3.07 3.18 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.33 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 0.00 0.00 0.00 0.00 51 H 8.64 4.02 0.00 3.11 3.26 0.00 5.65 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 52 D 8.02 4.33 0.00 2.66 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 E 8.07 4.02 0.00 2.14 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 2.42 2.37 0.00 54 V 7.54 3.04 1.70 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 -0.46 0.00 0.00 0.37 0.00 0.00 55 I 7.90 3.55 1.96 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 1.36 0.44 0.88 0.00 0.00 56 A 7.83 3.99 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 57 F 8.26 4.27 0.00 3.27 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 58 I 8.19 3.98 2.01 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.79 0.96 0.00 0.00 59 R 8.18 4.00 0.00 1.79 2.00 0.00 3.15 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 60 H 8.16 4.41 0.00 3.31 3.31 0.00 5.80 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.36 3.49 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 1.02 0.00 0.00 1.03 0.00 0.00 62 P 0.00 4.96 0.00 2.02 2.08 0.00 3.81 0.00 0.00 4.43 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 63 T 7.67 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 0.95 0.00 0.00 64 H 8.06 4.82 0.00 3.15 3.28 0.00 5.55 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.96 4.62 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.24 1.01 0.00 0.00 66 A 8.85 4.17 1.29 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 0.00 0.00 67 E 7.67 4.42 0.00 2.11 1.80 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 2.28 1.88 0.00 *69 R 8.42 4.64 0.00 2.15 1.93 0.00 3.34 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.24 0.00 70 L 9.24 4.65 0.00 1.68 1.45 0.28 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 71 A 9.26 4.76 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 72 P 0.00 4.50 0.00 1.89 1.46 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 73 D 9.14 4.91 0.00 2.48 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 74 E 7.59 4.79 0.00 1.88 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 2.22 2.31 0.00 75 F 9.08 5.13 0.00 2.85 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 76 I 9.26 4.48 1.92 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 1.14 0.82 0.94 0.00 0.00 77 E 8.82 5.23 0.00 2.01 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 2.21 2.30 0.00 78 S 8.97 4.49 0.00 3.86 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 79 G 8.40 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 80 E 8.84 4.59 0.00 2.14 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 0.00 2.42 2.38 0.00 81 R 8.08 5.38 0.00 2.01 1.92 0.00 3.17 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 82 I 9.15 5.17 2.15 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 1.22 1.01 1.12 0.00 0.00 83 V 9.15 4.97 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 0.96 0.00 0.00 0.99 0.00 0.00 84 V 9.22 4.71 2.43 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 0.37 0.00 0.00 1.26 0.00 0.00 85 L 8.04 4.65 0.00 1.52 1.20 0.87 0.84 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 86 G 6.39 3.50 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 0.00 87 T 7.79 5.43 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 88 R 9.18 5.17 0.00 1.94 2.06 0.00 2.64 0.00 0.00 2.89 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 89 R 8.89 4.89 0.00 1.84 1.92 0.00 3.44 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 90 V 8.80 4.69 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 0.91 0.00 0.00 0.91 0.00 0.00 91 T 8.89 5.13 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 1.27 0.00 0.00 92 A 9.00 4.59 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 93 V 8.54 3.52 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 0.81 0.00 0.00 0.96 0.00 0.00 94 N 8.04 4.44 0.00 2.87 2.96 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.22 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 0.00 0.00 0.00 96 R 8.50 4.29 0.00 1.94 1.85 0.00 3.07 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 97 S 8.07 5.20 0.00 3.81 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 98 A 8.45 4.59 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 99 T 8.44 4.90 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 1.27 0.00 0.00 100 L 9.02 4.95 0.00 1.52 1.53 0.88 0.69 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 0.00 101 K 8.59 5.12 0.00 1.63 1.65 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.39 7.81 102 F 8.54 5.13 0.00 3.18 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 0.00 103 V 8.75 4.74 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 0.97 0.00 0.00 0.84 0.00 0.00 104 H 9.58 5.24 0.00 3.48 3.03 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.24 4.68 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 0.95 0.00 0.00 0.88 0.00 0.00 106 W 9.55 5.28 0.00 3.55 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 0.00 107 R 8.90 5.13 0.00 1.74 1.85 0.00 3.12 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 108 F 9.43 5.31 0.00 3.09 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 0.00 109 E 8.99 4.82 0.00 2.02 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 2.28 2.32 0.00 110 N 9.34 4.04 0.00 3.00 2.93 0.00 0.00 7.12 7.53 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 0.00 111 G 8.76 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.98 0.00 1.98 1.99 0.00 3.19 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 113 A 9.09 4.12 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 0.00 114 V 8.79 4.15 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 0.82 0.00 0.00 1.02 0.00 0.00 115 T 7.74 5.22 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 116 F 8.82 4.92 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.56 4.42 0.00 1.70 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 1.63 2.02 0.00 118 D 7.86 5.12 0.00 2.35 2.39 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 0.00 119 H 9.05 4.96 0.00 3.01 3.10 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.78 4.95 0.00 3.09 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 0.00 121 D 9.03 4.55 0.00 2.72 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 0.00 122 T 8.27 4.11 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 0.76 0.00 0.00 123 A 8.18 4.16 1.37 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 0.00 0.00 124 E 8.39 4.42 0.00 2.23 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 2.45 2.54 0.00 *126 I 7.92 3.79 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.99 0.00 0.00 127 R 8.14 3.85 0.00 1.89 2.17 0.00 3.27 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 128 L 7.82 4.09 0.00 1.62 1.63 0.91 1.20 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 0.00 129 I 7.39 4.02 1.78 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.13 0.82 0.00 0.00 130 T 7.75 4.18 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 131 A 8.64 4.22 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 * Residues marked with a * may have inaccurate shift predictions.