NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 I 4.1192 8.0244 121.4451 61.4696 38.3148 176.8492 8 M 4.3313 8.4289 128.6200 53.3995 34.1264 172.5734 9 A 4.0252 8.4664 127.5557 52.2418 19.9084 176.7170 10 R 4.0877 8.4839 118.3752 56.9615 30.6855 175.7484 11 N 4.8561 8.7523 116.3602 52.6137 39.1482 173.4595 12 P 4.9711 0.0000 0.0000 62.5696 31.9454 175.3170 13 I 4.2121 7.8765 114.0655 59.3388 39.2637 175.0031 14 Y 4.6645 8.1997 122.4080 55.8216 39.8008 176.1082 15 F 4.2749 9.2083 123.7858 61.6896 39.3233 177.5223 16 E 3.8754 8.2395 116.1678 58.9126 29.7050 178.1728 17 S 4.2040 8.0027 115.6535 60.9994 63.0960 174.8156 18 I 3.9955 7.2084 121.6886 60.7636 37.4428 175.2171 19 Q 4.5134 9.5053 123.9548 53.5755 30.7537 175.1896 20 I 3.8095 8.1772 122.0258 63.1847 37.5384 175.6116 21 G 4.0893 8.7795 113.1091 45.5380 0.0000 174.2332 22 E 4.1520 8.0741 119.7251 56.3883 30.4478 176.1461 23 K 5.1071 8.6542 124.3497 54.6783 35.4899 174.8445 24 I 4.5325 9.2172 127.8141 59.5050 39.8774 174.0091 25 E 4.7007 8.8231 128.1248 54.4418 30.5802 175.7348 26 G 3.9379 8.8367 115.1710 45.4832 0.0000 172.3866 27 L 4.3814 8.2498 122.7780 53.3642 42.7577 174.9509 28 P 4.8470 0.0000 0.0000 63.0133 32.3934 175.8731 29 R 4.7084 8.4557 117.5918 55.1457 33.2878 174.1042 30 T 4.7963 8.4687 118.9224 62.9411 69.1856 174.9192 31 V 3.9652 8.6119 127.9298 61.9974 32.3023 175.5061 32 T 4.8364 8.8683 117.6034 59.2802 71.0056 174.1831 33 E 4.0788 8.8415 123.2921 59.8199 29.4580 178.5103 34 T 3.9371 8.0054 115.1292 66.8662 68.4945 175.8276 35 D 4.3733 8.0446 119.9429 57.5261 40.8640 178.6213 36 I 3.7661 7.9323 120.0057 64.4978 37.2197 178.6243 37 W 3.2845 8.9206 119.9140 59.6595 28.6919 178.7434 38 T 3.7871 8.2717 116.1647 66.6206 67.9362 176.4157 39 F 3.8949 8.2351 122.2521 61.0565 39.3725 176.9749 40 A 3.5238 7.8862 120.6184 55.0515 17.9523 179.0992 41 Y 4.4048 8.0033 115.5176 61.4053 37.8165 178.4820 42 L 3.9408 7.9672 120.2828 58.0721 42.2222 178.2793 43 T 4.1148 7.4138 105.7665 60.3214 69.2527 174.1220 44 A 3.8457 7.5896 123.1298 53.4259 16.8253 176.8956 45 D 4.7645 7.7216 118.8730 54.4209 42.3480 176.4980 46 F 4.2556 8.4262 130.0030 55.7138 38.1294 176.3451 47 F 4.0143 8.1110 123.5065 57.2788 40.2829 173.8009 48 P 3.8282 0.0000 0.0000 65.6062 30.4259 178.0990 49 L 4.1595 7.0494 119.9354 57.4660 42.3372 177.8154 50 H 4.7310 8.2347 115.1336 56.6772 29.6610 175.7842 51 T 4.3776 7.6298 106.2199 60.7862 69.2491 173.2355 52 D 4.7632 8.2221 122.1097 52.0382 41.8848 175.9085 53 V 3.7434 8.7513 126.5874 66.2925 31.2152 177.3873 54 E 4.0450 8.2847 116.2969 59.3319 29.8152 178.6689 55 F 4.1690 8.9064 120.5775 61.2901 39.4888 176.8521 56 A 4.2743 8.4489 120.4371 55.4206 17.8907 179.5322 57 K 4.3746 7.5358 116.5526 58.7493 32.2206 178.0988 58 K 4.2128 7.6188 115.2760 56.6737 32.2563 176.6286 59 T 4.4203 7.6122 110.9315 59.6779 70.5918 175.4344 60 I 3.7415 8.0728 120.9289 62.8609 37.9885 176.1749 61 F 4.6888 8.0323 117.1312 57.6733 40.1109 176.5849 62 G 4.4103 8.5447 113.1219 45.2104 0.0000 173.6508 63 K 4.9927 7.8162 116.5305 53.1446 34.9646 173.9429 64 P 4.7945 0.0000 0.0000 62.7059 32.1289 175.3098 65 I 4.7464 7.5280 111.7395 58.6254 40.6400 174.9336 66 A 4.1127 8.3316 124.8509 51.8358 19.2089 177.5991 67 Q 3.5856 8.1012 118.6131 54.5950 30.4375 179.0192 68 G 2.7961 7.8276 111.4488 45.2502 0.0000 175.4651 *70 L 3.2358 8.1517 122.4530 54.2869 43.8322 178.7650 71 V 3.4997 7.3197 117.5899 65.7652 31.2258 177.7195 72 L 3.9189 8.0449 120.0709 58.2505 41.9753 179.1128 73 S 4.0941 7.8785 114.5053 61.8161 62.6528 176.6656 74 I 3.6793 7.8864 121.2748 64.1513 36.8200 178.1004 75 A 4.0653 7.8930 120.9499 55.2653 18.5765 179.1579 76 L 4.0017 8.2224 117.4378 57.7352 41.6261 180.6395 77 G 3.7788 7.9438 102.3663 45.3909 0.0000 175.3439 *79 V 3.9878 7.7285 122.2654 62.5594 33.4245 177.1329 80 D 4.2757 8.0903 118.6538 57.1584 40.7603 177.7937 81 Q 4.0190 8.0836 120.3665 59.1435 28.7162 178.7388 82 V 3.5957 7.3764 118.3496 65.9390 31.9181 177.8287 83 I 4.0402 7.6907 119.0733 64.5294 36.8477 178.0739 84 L 4.0574 8.2904 119.1216 57.3374 41.4858 178.8109 85 S 4.6465 7.4776 111.1866 58.3550 63.4268 174.0638 86 N 4.8048 8.0708 117.9802 53.1101 40.5148 173.7421 87 Y 5.0314 7.6489 114.1472 56.1586 43.0275 174.5033 88 D 4.5534 8.4117 121.1059 53.2504 42.0087 176.6430 89 V 4.0297 8.3029 119.4670 61.6423 31.4508 178.6470 90 S 4.1453 8.1682 117.3679 60.7355 62.9592 175.4774 91 S 4.1557 7.8031 114.9976 59.5969 63.3606 173.5282 92 V 4.0035 7.5114 121.7330 62.5616 30.2954 176.0133 93 I 4.0510 8.5146 129.0223 63.8961 37.4573 176.3052 94 A 4.6050 7.6721 120.8854 50.8198 22.8118 174.9233 95 F 4.8755 8.8136 122.3332 57.6810 39.1976 175.4007 96 F 4.0727 9.7274 129.9481 59.5162 39.5332 175.3028 97 G 3.9126 7.5203 101.8530 46.0458 0.0000 171.2621 98 I 5.0783 8.2083 119.9943 59.5165 38.9019 176.0969 99 K 4.1926 9.4212 130.1747 59.0771 32.7849 176.8218 100 D 4.7871 7.9043 118.4175 52.6635 44.9401 173.7786 101 V 4.6977 8.2825 124.3479 61.1476 34.5913 174.3920 102 R 4.3181 8.9351 126.9172 54.3843 33.1071 174.9733 103 F 4.7778 8.5443 123.5774 56.7228 38.4634 176.0287 104 L 4.2618 8.6634 123.6016 57.1017 41.8107 177.2521 105 R 4.9229 7.9335 117.2948 53.5873 33.1836 172.8062 106 P 4.3555 0.0000 0.0000 62.4600 32.8605 175.3627 107 V 4.2869 7.7741 121.1889 61.3524 33.4782 175.1672 108 F 4.9323 9.4079 127.2530 56.0528 40.2612 176.9134 109 I 3.8247 8.6796 123.4215 63.9828 36.9207 177.1684 110 G 4.0887 7.9783 106.0792 45.0492 0.0000 173.1148 111 D 4.8669 8.3877 120.8469 54.0296 42.3584 175.6974 112 T 4.9447 8.5186 117.9931 62.0144 70.9886 173.2558 113 I 4.6819 8.2979 120.2321 59.5839 40.4163 174.7213 114 A 4.9823 9.1020 124.9825 50.3039 22.4400 174.9302 115 A 5.4208 8.6753 123.1277 50.2005 22.7263 175.2407 116 S 5.1663 9.2027 113.4723 56.6734 67.0728 172.8078 117 A 5.3602 9.1048 122.9919 50.2760 22.4185 174.5868 118 E 5.0963 9.0184 121.7230 54.1067 33.4751 174.8915 119 V 3.7579 8.7459 127.3693 63.1561 32.0014 176.3887 120 V 4.3097 8.1925 120.0684 61.2140 33.7977 175.2534 121 E 4.7133 7.5308 119.7866 55.0787 33.1119 173.8213 122 K 5.1620 8.4142 123.1240 55.1400 35.9159 175.5940 123 Q 4.8044 9.1760 123.0269 54.0627 32.9738 174.2144 124 D 4.5905 8.6480 120.4995 53.7932 42.3106 174.8971 125 F 4.6493 8.6165 123.3070 59.2269 41.6585 174.2357 126 D 4.5212 7.9477 117.4724 52.2833 41.7949 175.1054 127 E 4.2043 8.7204 115.9279 58.2682 29.8989 177.2616 128 K 4.5112 8.2269 118.3340 56.1645 33.8133 175.1308 129 S 4.8626 7.5813 111.4818 57.7213 66.7362 174.2084 130 G 3.5807 8.0264 106.4620 44.4188 0.0000 171.6499 131 V 4.6382 7.7454 113.8089 59.4666 33.8167 175.2570 132 V 4.7917 8.7284 125.2158 61.4282 34.1035 174.2198 133 T 4.9561 8.3635 124.0461 62.0295 70.9959 173.0014 134 Y 4.9559 9.2599 124.2216 55.9228 41.6735 174.4478 135 K 4.8173 8.9580 124.3889 54.8938 34.2308 174.5826 136 L 5.3460 9.7493 130.9984 53.6960 44.4095 174.8661 137 E 5.0791 9.3554 124.9094 54.6101 33.6229 174.5677 138 V 4.9119 8.7248 124.0871 61.0178 34.4806 174.3952 139 K 5.2203 9.4045 126.7577 54.6702 36.3339 175.8737 140 N 5.2440 8.9857 121.1750 50.7410 39.3722 175.6257 141 Q 4.0889 8.8997 115.8672 58.7049 28.3039 177.7203 142 R 4.3098 8.3832 115.4639 55.7972 29.8789 178.4674 143 G 4.0069 8.1654 107.6213 46.8440 0.0000 175.0233 144 E 3.9694 7.7194 119.8797 56.2272 29.9541 176.0759 145 L 4.6935 8.3599 124.9101 54.6449 42.1972 176.3547 146 V 4.2028 8.6927 121.0577 63.1190 33.3234 176.1524 147 L 5.1327 7.6048 120.1771 53.9993 45.8804 174.4849 148 T 5.2823 8.6616 117.6904 60.8197 71.1046 172.2715 149 A 5.0969 8.9097 127.4508 51.1945 23.7126 174.7144 150 L 5.6322 9.2208 121.6799 53.5101 44.7111 175.0487 151 Y 5.6885 9.0550 123.8960 55.4965 42.1630 174.2685 152 S 5.2009 9.9749 114.3486 56.9459 66.9884 172.6015 153 A 5.4371 9.2696 123.0358 50.2190 22.7930 174.8164 154 L 4.7084 9.3023 123.6551 53.7390 43.6242 175.3765 155 I 4.9775 8.2856 120.2287 58.6103 40.7764 175.1878 156 R 4.4855 9.2405 125.6941 56.8414 31.1036 175.6826 157 K 5.0732 8.6191 124.5231 55.2293 33.8095 176.9921 158 T 2.8057 8.1921 118.6607 63.0333 68.9373 172.9173 159 P 4.3665 0.0000 0.0000 62.8826 31.2926 176.2876 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 7 I 8.02 4.12 1.84 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 1.28 1.03 0.89 0.00 0.00 8 M 8.43 4.33 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 9 A 8.47 4.03 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 10 R 8.48 4.09 0.00 1.91 2.07 0.00 3.18 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 11 N 8.75 4.86 0.00 2.71 2.90 0.00 0.00 6.85 8.02 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 12 P 0.00 4.97 0.00 1.55 2.00 0.00 3.39 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.89 0.00 13 I 7.88 4.21 1.58 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.46 0.19 0.00 0.00 14 Y 8.20 4.66 0.00 3.15 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 15 F 9.21 4.27 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.24 3.88 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 17 S 8.00 4.20 0.00 3.99 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 18 I 7.21 4.00 1.66 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 1.46 0.71 0.77 0.00 0.00 19 Q 9.51 4.51 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 20 I 8.18 3.81 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.40 0.89 0.00 0.00 21 G 8.78 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 22 E 8.07 4.15 0.00 1.97 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 2.32 2.50 0.00 23 K 8.65 5.11 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.63 7.81 24 I 9.22 4.53 1.92 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 1.19 0.62 0.98 0.00 0.00 25 E 8.82 4.70 0.00 1.95 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 0.00 2.21 2.36 0.00 26 G 8.84 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 27 L 8.25 4.38 0.00 1.61 1.58 0.92 0.94 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 28 P 0.00 4.85 0.00 1.98 1.97 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 R 8.46 4.71 0.00 1.83 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.47 4.80 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 1.31 0.00 0.00 31 V 8.61 3.97 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 0.67 0.00 0.00 0.89 0.00 0.00 32 T 8.87 4.84 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 1.39 0.00 0.00 33 E 8.84 4.08 0.00 2.04 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 0.00 1.99 2.10 0.00 34 T 8.01 3.94 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 1.25 0.00 0.00 35 D 8.04 4.37 0.00 2.98 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.77 2.30 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.07 0.69 0.00 0.00 37 W 8.92 3.28 0.00 3.35 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 38 T 8.27 3.79 4.45 0.00 0.00 0.00 0.00 0.00 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 39 F 8.24 3.89 0.00 3.16 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 40 A 7.89 3.52 0.04 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 0.00 0.00 41 Y 8.00 4.40 0.00 3.12 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 42 L 7.97 3.94 0.00 1.62 1.61 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.41 4.11 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 0.32 0.00 0.00 44 A 7.59 3.85 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 45 D 7.72 4.76 0.00 2.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 4.26 0.00 2.98 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 47 F 8.11 4.01 0.00 3.24 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 48 P 0.00 3.83 0.00 0.49 1.62 0.00 2.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.79 0.00 49 L 7.05 4.16 0.00 1.89 1.69 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.23 4.73 0.00 3.03 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.63 4.38 4.15 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 -0.33 0.00 0.00 52 D 8.22 4.76 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 3.74 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 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.28 4.05 0.00 2.14 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 2.36 2.46 0.00 55 F 8.91 4.17 0.00 3.08 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 A 8.45 4.27 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 57 K 7.54 4.37 0.00 1.96 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.61 7.81 58 K 7.62 4.21 0.00 1.51 1.69 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.29 7.81 59 T 7.61 4.42 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 1.30 0.00 0.00 60 I 8.07 3.74 1.67 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.08 0.00 0.00 61 F 8.03 4.69 0.00 3.25 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.54 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.82 4.99 0.00 1.96 1.88 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.16 7.81 64 P 0.00 4.79 0.00 2.32 2.19 0.00 3.84 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 2.15 2.11 0.00 65 I 7.53 4.75 1.46 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.45 0.27 0.00 0.00 66 A 8.33 4.11 1.11 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 0.00 0.00 67 Q 8.10 3.59 0.00 1.44 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.17 0.00 0.00 0.00 0.00 0.00 2.25 1.55 0.00 68 G 7.83 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 0.00 0.00 0.00 *70 L 8.15 3.24 0.00 0.47 1.34 0.73 0.70 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 71 V 7.32 3.50 2.17 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 0.91 0.00 0.00 0.87 0.00 0.00 72 L 8.04 3.92 0.00 1.98 1.67 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.88 4.09 0.00 3.99 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 74 I 7.89 3.68 1.81 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 1.42 0.55 0.88 0.00 0.00 75 A 7.89 4.07 1.36 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 0.00 0.00 76 L 8.22 4.00 0.00 1.55 1.46 0.86 0.33 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 77 G 7.94 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 *79 V 7.73 3.99 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 0.92 0.00 0.00 0.94 0.00 0.00 80 D 8.09 4.28 0.00 2.82 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.08 4.02 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.38 3.60 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 0.91 0.00 0.00 0.99 0.00 0.00 83 I 7.69 4.04 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.68 1.00 0.00 0.00 84 L 8.29 4.06 0.00 1.84 1.74 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.48 4.65 0.00 3.93 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 86 N 8.07 4.80 0.00 2.29 1.99 0.00 0.00 6.65 6.98 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 87 Y 7.65 5.03 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.41 4.55 0.00 2.91 2.67 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 89 V 8.30 4.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 90 S 8.17 4.15 0.00 4.00 4.04 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 91 S 7.80 4.16 0.00 3.83 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 92 V 7.51 4.00 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 0.73 0.00 0.00 0.89 0.00 0.00 93 I 8.51 4.05 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.86 0.94 0.00 0.00 94 A 7.67 4.60 1.27 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 0.00 0.00 95 F 8.81 4.88 0.00 3.03 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 96 F 9.73 4.07 0.00 3.15 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 97 G 7.52 3.91 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 0.00 0.00 0.00 98 I 8.21 5.08 1.84 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 1.37 0.44 1.01 0.00 0.00 99 K 9.42 4.19 0.00 1.80 1.87 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.43 7.81 100 D 7.90 4.79 0.00 2.70 2.42 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 0.00 101 V 8.28 4.70 1.82 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 0.26 0.00 0.00 0.87 0.00 0.00 102 R 8.94 4.32 0.00 1.61 1.71 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.80 0.00 103 F 8.54 4.78 0.00 2.96 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 0.00 104 L 8.66 4.26 0.00 1.81 1.75 0.93 0.89 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 0.00 105 R 7.93 4.92 0.00 1.80 1.78 0.00 3.38 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 106 P 0.00 4.36 0.00 1.36 1.79 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.25 0.00 107 V 7.77 4.29 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 1.02 0.00 0.00 0.86 0.00 0.00 108 F 9.41 4.93 0.00 3.41 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 0.00 109 I 8.68 3.82 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 0.96 0.00 0.00 110 G 7.98 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 0.00 111 D 8.39 4.87 0.00 2.75 2.64 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 0.00 112 T 8.52 4.94 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 1.22 0.00 0.00 113 I 8.30 4.68 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.90 0.00 0.00 114 A 9.10 4.98 1.21 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 0.00 0.00 115 A 8.68 5.42 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 0.00 116 S 9.20 5.17 0.00 3.86 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 0.00 117 A 9.10 5.36 1.34 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 0.00 0.00 118 E 9.02 5.10 0.00 2.05 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 2.16 2.33 0.00 119 V 8.75 3.76 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 0.65 0.00 0.00 0.78 0.00 0.00 120 V 8.19 4.31 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 0.68 0.00 0.00 0.87 0.00 0.00 121 E 7.53 4.71 0.00 1.94 1.64 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 2.25 2.30 0.00 122 K 8.41 5.16 0.00 1.54 1.62 0.00 1.55 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.29 7.81 123 Q 9.18 4.80 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 124 D 8.65 4.59 0.00 2.70 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 0.00 125 F 8.62 4.65 0.00 2.68 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.95 4.52 0.00 2.77 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 0.00 127 E 8.72 4.20 0.00 2.09 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 2.28 2.27 0.00 128 K 8.23 4.51 0.00 2.02 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.58 4.86 0.00 3.96 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 0.00 130 G 8.03 3.58 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 0.00 131 V 7.75 4.64 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 -0.54 0.00 0.00 0.68 0.00 0.00 132 V 8.73 4.79 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 0.41 0.00 0.00 1.08 0.00 0.00 133 T 8.36 4.96 4.12 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 1.20 0.00 0.00 134 Y 9.26 4.96 0.00 1.43 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 0.00 135 K 8.96 4.82 0.00 1.78 1.68 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.75 5.35 0.00 2.00 1.77 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 137 E 9.36 5.08 0.00 1.91 1.79 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 2.23 2.24 0.00 138 V 8.72 4.91 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 1.08 0.00 0.00 0.93 0.00 0.00 139 K 9.40 5.22 0.00 1.66 1.69 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.35 7.81 140 N 8.99 5.24 0.00 2.88 3.00 0.00 0.00 6.61 6.67 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 0.00 141 Q 8.90 4.09 0.00 2.24 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 142 R 8.38 4.31 0.00 2.03 2.18 0.00 2.92 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 143 G 8.17 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 7.72 3.97 0.00 2.20 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 2.36 2.45 0.00 145 L 8.36 4.69 0.00 1.60 1.62 1.00 0.96 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 0.00 146 V 8.69 4.20 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 0.68 0.00 0.00 0.97 0.00 0.00 147 L 7.60 5.13 0.00 1.73 1.45 1.08 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.66 5.28 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 1.22 0.00 0.00 149 A 8.91 5.10 1.27 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 0.00 0.00 150 L 9.22 5.63 0.00 1.72 1.54 0.93 0.91 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 0.00 151 Y 9.05 5.69 0.00 3.57 3.13 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 0.00 152 S 9.97 5.20 0.00 3.94 4.02 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 0.00 0.00 0.00 0.00 153 A 9.27 5.44 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 9.30 4.71 0.00 1.70 1.57 0.47 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.29 4.98 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.97 0.00 0.00 156 R 9.24 4.49 0.00 2.05 1.93 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 157 K 8.62 5.07 0.00 1.74 1.79 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.38 7.81 158 T 8.19 2.81 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 159 P 0.00 4.37 0.00 1.95 1.94 0.00 3.19 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.