NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 L 4.1505 8.1731 122.4925 56.4047 43.0835 176.4194 -1 G 3.8877 9.5056 113.7816 43.5509 0.0000 172.2528 0 S 4.5049 7.8813 116.0059 56.0970 63.6676 172.4106 0 A 4.3549 7.8113 124.1059 50.2970 18.9676 175.6106 3 E 3.9692 8.2143 115.1738 59.7012 29.3782 179.1551 4 S 4.0688 8.2138 111.2907 61.3603 62.7047 175.3150 5 E 4.2942 8.2000 121.5123 59.0952 29.4225 179.1731 6 L 4.3272 7.3756 117.2011 55.9117 41.9277 177.9263 *8 H 4.7517 8.1222 118.2363 55.8433 31.7137 175.0862 9 I 3.6550 8.1190 120.1713 64.8555 36.9191 177.9067 10 H 4.2393 8.7010 119.3138 59.1694 29.6015 177.1659 11 S 3.8876 8.0202 114.4892 61.3695 62.2681 175.9062 12 L 3.7830 7.9043 121.3802 57.6806 41.2466 179.4798 13 A 4.4543 8.3971 120.7619 55.3233 18.4076 179.4782 14 E 4.0015 8.6523 117.4101 60.1518 29.6191 179.5039 15 H 4.6167 8.3312 116.2548 58.7671 28.5351 177.3884 16 Y 3.9975 8.2149 121.5713 60.7802 38.7122 178.0943 17 L 3.8386 8.2096 119.9765 57.6582 41.6065 179.4662 18 Q 3.4893 8.4775 118.4778 58.8245 28.7218 178.1220 19 Y 3.8109 7.8636 120.4599 60.6343 38.5560 178.2446 20 V 3.2961 7.3385 117.9797 65.7083 31.6805 177.1479 21 L 4.2009 7.3818 114.8285 53.5027 42.4235 176.2817 22 Q 3.1235 7.1953 116.7050 56.6953 26.6067 174.3049 23 V 3.9949 7.9155 117.3658 60.3671 32.4757 173.5756 24 P 4.1357 0.0000 0.0000 63.0035 31.6480 175.9178 25 A 4.4393 8.2866 125.8004 51.2590 19.7333 177.1351 26 F 4.2168 9.0736 126.2402 61.9024 40.5197 176.7415 27 E 4.3517 7.9333 122.9354 54.9506 29.2520 175.7950 *30 P 4.1639 0.0000 0.0000 63.9956 32.5805 177.4230 31 S 4.4169 8.1468 115.5693 57.9321 65.1925 175.1779 32 Q 3.9207 8.5402 122.1110 59.1413 28.7267 177.7686 33 A 4.2176 8.0921 121.3468 55.6410 18.4183 179.1586 34 C 3.9580 7.8058 115.1285 63.0290 28.1921 176.7131 35 R 3.8061 7.8849 119.5852 59.1002 29.5717 179.3397 36 V 3.5206 8.0651 118.3048 65.8801 31.4932 177.7787 37 L 4.0567 8.4224 120.5015 58.3348 42.0110 178.8840 38 Q 3.9949 8.3055 118.3581 58.8445 28.5176 178.8434 39 R 3.9043 7.8895 119.5408 59.5006 30.3361 178.8260 40 V 3.4695 7.9651 117.8741 65.9443 31.5269 177.9004 41 A 3.9696 8.1745 120.9162 55.0875 18.1012 179.3839 42 F 4.6554 8.3843 120.2283 60.8874 39.4813 177.0146 43 S 4.0485 8.2614 113.0067 61.6440 62.0375 176.5729 44 V 3.7680 7.6118 120.1207 65.9364 31.2705 177.6272 45 Q 4.0426 8.5237 119.7566 59.3344 28.9512 178.5531 46 K 3.8272 7.8193 119.4078 59.2927 32.0072 178.8877 47 E 3.9268 8.1382 119.6355 59.2009 29.4803 179.1187 48 V 3.6470 8.1710 118.5341 66.2682 31.4894 177.9707 49 E 3.9960 8.2732 117.0826 58.9645 29.2628 179.0380 50 K 4.1024 8.0091 119.1144 59.0211 32.5431 177.8766 51 N 4.8332 8.1893 113.8270 53.1910 39.4756 175.6803 52 L 4.8351 8.0109 122.8456 54.8992 42.6050 179.1882 53 K 3.9441 8.2591 127.0450 60.1365 31.2276 181.8633 54 S 4.2684 7.7684 113.7552 61.2525 63.3389 175.7032 55 Y 4.9284 7.4629 121.2652 60.1975 37.7637 177.6437 56 L 3.8259 8.3743 120.2023 57.7112 41.4807 179.1072 57 D 4.3307 8.2146 117.9911 56.5550 40.8969 177.6424 58 D 4.7067 7.9941 119.0596 54.5865 40.8916 175.4445 59 F 5.2212 6.8946 113.5844 55.1273 41.2600 173.4052 60 H 4.9549 8.8967 119.8373 54.6124 32.0984 173.9446 61 V 4.2463 9.1553 128.6775 61.6212 29.9965 174.8633 62 E 4.5134 8.5071 120.5291 55.9321 30.9257 176.7530 63 S 4.9021 7.4370 113.8129 56.2689 67.0480 174.8987 64 I 3.8260 8.3242 123.1873 64.5816 36.8328 178.3541 65 D 4.3509 8.1167 119.3005 57.7735 40.6457 178.8817 66 T 3.8453 8.0915 115.8698 66.4562 68.3555 176.4535 67 A 4.0323 8.1271 122.7152 55.2779 18.4133 179.6699 68 R 2.5100 8.0620 117.2806 59.1315 30.0430 178.7691 69 I 3.6227 7.5461 119.5278 64.4247 37.0663 178.5369 70 I 3.5531 7.8481 120.6764 64.1600 36.6912 178.0036 71 F 4.3208 8.1280 120.4791 61.6547 39.2672 176.3877 72 N 4.2575 8.0225 114.9099 56.6022 39.0262 176.5184 73 Q 4.1030 8.1202 119.5210 58.8669 28.7076 179.3309 74 V 3.3239 7.5968 118.0779 64.3055 30.6224 177.8194 *76 E 4.3608 8.0712 114.8843 55.4627 32.0723 181.3426 77 K 3.7878 7.9383 120.9051 59.2590 32.5030 178.2562 78 E 3.6985 8.1825 118.4706 59.1452 29.5750 177.4889 79 F 4.5055 7.8659 115.0121 57.0952 39.1373 177.4799 80 E 4.0354 7.8831 120.6475 58.8620 29.3616 177.5968 81 D 4.4018 8.0197 117.1197 53.4253 39.8915 177.1423 82 G 3.9203 8.1617 108.2755 45.8870 0.0000 173.6537 83 I 4.2380 7.7125 120.1482 60.0875 38.2912 175.4337 84 I 4.3577 7.7066 123.6133 58.9221 40.6227 174.8379 85 N 4.3375 7.5465 120.2969 50.3041 41.3486 175.5762 86 W 4.7900 8.8636 120.1845 59.8686 29.0689 178.9072 87 G 3.9433 8.6082 105.4517 48.1353 0.0000 175.8001 88 R 4.0450 8.3331 121.0490 58.3865 30.3585 178.8549 89 I 4.1069 7.9617 119.6759 64.4707 37.1849 178.3918 90 V 3.9212 8.5360 119.5317 66.5947 30.8559 178.2570 91 T 4.0900 8.2404 109.0826 64.5183 68.4709 176.6297 92 I 3.8760 7.7979 122.6305 64.4453 37.2103 178.1935 93 F 4.2038 8.3311 117.8082 60.5731 38.7720 177.4168 94 A 4.1972 8.3038 120.3139 55.3913 18.2243 179.5519 95 F 4.4973 8.9950 119.6128 61.1352 39.3325 177.5533 96 G 3.8225 8.7006 106.0004 47.7717 0.0000 175.8545 97 G 4.0805 8.4962 109.5633 46.9781 0.0000 175.7766 98 V 3.8125 8.0489 120.9102 65.9568 31.4882 178.1882 99 L 3.9702 7.7399 118.5876 57.5168 41.3171 179.2262 100 L 3.9572 8.2127 120.6246 58.1650 41.9250 179.1577 101 K 3.9560 8.2860 118.5182 59.4184 31.8861 179.4624 102 K 3.9438 8.0637 118.7214 59.3289 32.0037 179.1505 103 L 4.1213 8.3152 120.9607 58.1759 41.8148 178.9873 104 K 4.0351 8.2720 120.0568 60.4005 32.0573 179.5945 105 Q 4.1914 7.7344 119.6808 59.2471 28.1398 179.1825 106 E 4.6620 8.3049 118.2587 55.3449 30.8746 176.0273 107 Q 4.1792 7.9785 121.2097 56.1905 29.7672 176.1093 108 I 3.8489 8.5185 126.8720 64.3558 37.4888 176.7510 109 A 4.2131 7.6911 122.0117 51.3205 18.9525 177.2004 110 L 4.0892 8.2872 121.6345 55.4758 42.5122 178.0182 111 D 4.6631 8.3106 123.7645 53.9200 42.1526 176.2741 112 V 3.7737 8.0291 121.0609 62.6352 32.4037 177.2374 113 S 4.4339 7.8828 111.0351 58.5810 63.3894 175.5944 114 A 4.0695 7.9631 125.4061 56.0903 17.8848 179.9109 115 Y 4.0691 7.9317 115.2906 59.9575 37.9568 178.5265 116 K 3.6391 7.1478 120.5782 59.1925 31.9328 179.3420 117 Q 3.8928 7.7104 117.9162 58.8099 28.7298 178.7136 118 V 2.0000 7.7054 119.6191 65.4200 31.4964 178.0428 119 S 4.0363 8.0195 114.1271 61.6220 62.5047 176.9295 120 S 3.9236 7.5450 118.5538 61.3867 62.6735 176.6239 121 F 4.8474 7.4296 118.2948 58.9144 37.6980 177.8644 122 V 3.4800 7.3646 119.0580 65.8016 31.0818 177.8253 123 A 4.0085 7.8402 119.2538 55.1868 18.4244 179.0215 124 E 4.0862 8.3693 117.1682 59.6250 29.5769 179.4451 125 F 3.9837 8.3910 120.5225 61.2061 39.3707 177.5456 126 I 3.5305 7.7387 115.2099 62.6399 36.3552 177.3949 *128 N 4.5417 8.0485 119.2740 52.7545 40.2292 175.0757 129 N 4.5145 7.6009 113.4649 53.4976 39.9337 175.5088 130 T 4.5627 8.0176 105.6780 60.0042 70.4395 175.8315 131 G 3.6700 8.2234 110.3034 48.2584 0.0000 175.3911 132 E 3.9422 8.1124 121.5974 58.5784 29.8755 178.4148 133 W 4.1761 8.0599 129.2524 59.8787 30.8036 177.5580 134 I 3.4894 8.2865 120.1606 64.6907 36.3710 178.6043 135 R 3.9371 7.4896 117.0224 59.2976 29.6981 178.7855 136 Q 4.1064 8.1957 116.9888 57.1093 28.3447 176.7496 137 N 4.3165 7.6869 118.1037 52.6059 39.0447 176.2123 138 G 3.8656 8.2267 106.9978 44.1485 0.0000 175.8526 139 G 3.9737 8.0330 109.4676 44.8259 0.0000 174.2503 140 W 4.2979 8.6335 116.9380 59.3331 27.8195 178.2433 141 E 4.1843 8.2647 118.1462 59.2678 29.3400 178.2755 142 D 4.6847 8.1953 116.4963 56.5462 41.3746 177.0318 143 G 4.0886 7.9062 106.4008 45.3902 0.0000 175.3107 144 F 2.7114 7.7203 121.7067 60.0918 39.7350 177.8078 145 I 3.4488 7.5744 118.9426 64.3935 36.7064 178.6949 146 K 3.9200 7.1199 115.1556 58.9933 31.8707 178.8942 147 K 3.7297 7.3983 119.2413 58.9698 32.1415 177.9620 148 F 4.7454 7.2634 116.4162 57.7998 39.7624 176.3191 149 E 4.2580 7.9904 120.1424 55.8572 29.7315 181.1418 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 -2 L 8.17 4.15 0.00 1.61 1.65 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 -1 G 9.51 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 0 S 7.88 4.50 0.00 3.97 3.98 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 0 A 7.81 4.35 1.46 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 0.00 0.00 0.00 3 E 8.21 3.97 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 4 S 8.21 4.07 0.00 3.90 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 5 E 8.20 4.29 0.00 2.18 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 2.56 2.58 0.00 6 L 7.38 4.33 0.00 2.01 1.80 0.95 0.92 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 *8 H 8.12 4.75 0.00 3.39 3.56 0.00 5.76 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.12 3.65 2.15 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.91 1.07 0.00 0.00 10 H 8.70 4.24 0.00 3.26 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.02 3.89 0.00 3.90 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 12 L 7.90 3.78 0.00 1.67 1.24 -1.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.40 4.45 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 14 E 8.65 4.00 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 15 H 8.33 4.62 0.00 3.15 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.21 4.00 0.00 3.01 3.26 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 17 L 8.21 3.84 0.00 1.81 1.72 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.48 3.49 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 1.68 2.22 0.00 19 Y 7.86 3.81 0.00 2.98 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 20 V 7.34 3.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.65 0.00 0.00 21 L 7.38 4.20 0.00 1.43 1.54 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.20 3.12 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 23 V 7.92 3.99 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.70 0.00 0.00 24 P 0.00 4.14 0.00 2.06 1.97 0.00 3.68 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 2.00 2.05 0.00 25 A 8.29 4.44 1.23 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 26 F 9.07 4.22 0.00 3.03 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.93 4.35 0.00 2.03 1.60 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 2.23 1.86 0.00 *30 P 0.00 4.16 0.00 2.14 2.05 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 31 S 8.15 4.42 0.00 4.09 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 32 Q 8.54 3.92 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 33 A 8.09 4.22 1.46 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 0.00 0.00 0.00 34 C 7.81 3.96 0.00 3.07 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 35 R 7.88 3.81 0.00 2.00 1.93 0.00 3.10 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 36 V 8.07 3.52 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 0.76 0.00 0.00 0.94 0.00 0.00 37 L 8.42 4.06 0.00 1.92 1.58 -0.31 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.31 3.99 0.00 1.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.01 2.31 0.00 39 R 7.89 3.90 0.00 1.87 2.05 0.00 3.11 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 40 V 7.97 3.47 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 0.52 0.00 0.00 0.67 0.00 0.00 41 A 8.17 3.97 0.83 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 0.00 0.00 42 F 8.38 4.66 0.00 3.67 3.35 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 43 S 8.26 4.05 0.00 4.08 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 44 V 7.61 3.77 2.27 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 1.10 0.00 0.00 1.00 0.00 0.00 45 Q 8.52 4.04 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 46 K 7.82 3.83 0.00 1.77 1.71 0.00 1.62 0.00 0.00 1.37 0.00 0.00 2.65 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.11 0.59 7.81 47 E 8.14 3.93 0.00 2.14 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 2.33 2.34 0.00 48 V 8.17 3.65 2.34 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 1.26 0.00 0.00 1.11 0.00 0.00 49 E 8.27 4.00 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 50 K 8.01 4.10 0.00 1.81 1.88 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 51 N 8.19 4.83 0.00 2.90 2.88 0.00 0.00 6.94 7.46 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 52 L 8.01 4.84 0.00 1.97 1.87 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.26 3.94 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.08 7.81 54 S 7.77 4.27 0.00 3.80 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 55 Y 7.46 4.93 0.00 3.32 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 56 L 8.37 3.83 0.00 1.77 1.56 1.05 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.21 4.33 0.00 2.77 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 58 D 7.99 4.71 0.00 3.16 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 59 F 6.89 5.22 0.00 3.10 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 60 H 8.90 4.95 0.00 3.07 3.26 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 9.16 4.25 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 0.95 0.00 0.00 1.20 0.00 0.00 62 E 8.51 4.51 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 63 S 7.44 4.90 0.00 4.04 3.98 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 64 I 8.32 3.83 1.92 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 1.68 1.05 1.04 0.00 0.00 65 D 8.12 4.35 0.00 2.69 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 66 T 8.09 3.85 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 1.34 0.00 0.00 67 A 8.13 4.03 1.56 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 0.00 0.00 68 R 8.06 2.51 0.00 1.44 1.88 0.00 3.03 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.15 0.00 69 I 7.55 3.62 1.95 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 1.48 0.45 0.86 0.00 0.00 70 I 7.85 3.55 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.58 0.54 0.00 0.00 71 F 8.13 4.32 0.00 3.11 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 72 N 8.02 4.26 0.00 2.89 2.79 0.00 0.00 7.36 6.69 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 73 Q 8.12 4.10 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 74 V 7.60 3.32 1.68 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 0.23 0.00 0.00 0.80 0.00 0.00 *76 E 8.07 4.36 0.00 1.96 1.98 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 2.21 1.88 0.00 77 K 7.94 3.79 0.00 1.75 1.87 0.00 1.43 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.30 7.81 78 E 8.18 3.70 0.00 1.75 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 1.53 1.96 0.00 79 F 7.87 4.51 0.00 3.20 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 80 E 7.88 4.04 0.00 2.04 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 2.58 2.21 0.00 81 D 8.02 4.40 0.00 2.75 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 82 G 8.16 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 83 I 7.71 4.24 1.88 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 1.26 0.73 0.81 0.00 0.00 84 I 7.71 4.36 0.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.47 -0.41 0.00 0.00 85 N 7.55 4.34 0.00 2.97 2.81 0.00 0.00 6.26 8.88 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 86 W 8.86 4.79 0.00 3.63 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.61 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 0.00 0.00 0.00 88 R 8.33 4.04 0.00 1.83 1.71 0.00 2.84 0.00 0.00 2.42 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 89 I 7.96 4.11 2.45 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.01 1.50 0.00 0.00 90 V 8.54 3.92 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 1.05 0.00 0.00 1.13 0.00 0.00 91 T 8.24 4.09 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 1.33 0.00 0.00 92 I 7.80 3.88 2.02 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 1.64 1.05 1.07 0.00 0.00 93 F 8.33 4.20 0.00 3.13 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 94 A 8.30 4.20 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.99 4.50 0.00 3.25 3.27 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 96 G 8.70 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 97 G 8.50 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 0.00 0.00 0.00 98 V 8.05 3.81 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 1.11 0.00 0.00 1.17 0.00 0.00 99 L 7.74 3.97 0.00 1.78 1.73 1.15 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.21 3.96 0.00 1.80 1.88 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.29 3.96 0.00 2.01 1.86 0.00 1.83 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.64 7.81 102 K 8.06 3.94 0.00 2.01 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.42 7.81 103 L 8.32 4.12 0.00 1.88 1.93 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.27 4.04 0.00 1.90 1.88 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.62 7.81 105 Q 7.73 4.19 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 106 E 8.30 4.66 0.00 2.04 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 2.08 2.26 0.00 107 Q 7.98 4.18 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 108 I 8.52 3.85 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 0.93 0.00 0.00 109 A 7.69 4.21 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 0.00 110 L 8.29 4.09 0.00 1.65 1.64 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.31 4.66 0.00 2.71 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 0.00 112 V 8.03 3.77 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 0.83 0.00 0.00 0.93 0.00 0.00 113 S 7.88 4.43 0.00 3.87 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 0.00 114 A 7.96 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 0.00 115 Y 7.93 4.07 0.00 3.18 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 0.00 116 K 7.15 3.64 0.00 1.65 1.65 0.00 1.35 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.95 0.21 7.81 117 Q 7.71 3.89 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 118 V 7.71 2.00 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 0.57 0.00 0.00 0.83 0.00 0.00 119 S 8.02 4.04 0.00 4.12 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 0.00 120 S 7.54 3.92 0.00 3.95 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 0.00 121 F 7.43 4.85 0.00 3.05 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 0.00 122 V 7.36 3.48 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 0.86 0.00 0.00 0.45 0.00 0.00 123 A 7.84 4.01 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 0.00 124 E 8.37 4.09 0.00 2.31 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 0.00 2.36 2.52 0.00 125 F 8.39 3.98 0.00 3.53 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.74 3.53 2.05 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 1.11 0.00 0.00 *128 N 8.05 4.54 0.00 2.55 2.77 0.00 0.00 6.98 8.00 0.00 0.00 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 N 7.60 4.51 0.00 1.80 2.21 0.00 0.00 6.79 7.60 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 0.00 130 T 8.02 4.56 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 0.97 0.00 0.00 131 G 8.22 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 0.00 0.00 0.00 132 E 8.11 3.94 0.00 2.05 1.98 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 2.52 2.36 0.00 133 W 8.06 4.18 0.00 3.36 3.19 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 0.00 134 I 8.29 3.49 2.18 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.67 0.00 0.00 135 R 7.49 3.94 0.00 1.86 1.98 0.00 3.18 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.04 0.00 136 Q 8.20 4.11 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 137 N 7.69 4.32 0.00 1.44 1.88 0.00 0.00 7.00 7.44 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 0.00 138 G 8.23 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 0.00 0.00 0.00 139 G 8.03 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 0.00 140 W 8.63 4.30 0.00 3.58 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 0.00 141 E 8.26 4.18 0.00 2.16 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 2.45 2.55 0.00 142 D 8.20 4.68 0.00 2.89 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 0.00 143 G 7.91 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 7.72 2.71 0.00 1.51 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 0.00 145 I 7.57 3.45 2.08 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 1.58 1.03 0.93 0.00 0.00 146 K 7.12 3.92 0.00 1.61 1.80 0.00 1.85 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.57 7.81 147 K 7.40 3.73 0.00 1.45 1.28 0.00 1.36 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.84 0.21 7.81 148 F 7.26 4.75 0.00 2.61 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 0.00 149 E 7.99 4.26 0.00 2.00 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 0.00 2.19 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.