NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6100 8.1648 122.9826 52.6038 19.4398 176.1192 2 T 4.1916 7.5413 119.1204 62.3621 70.5945 172.4943 3 K 5.3117 8.8615 123.6548 55.2005 37.5760 174.5305 4 A 5.2248 9.0049 122.5120 51.3211 23.2611 175.3885 5 V 5.0031 8.8903 118.0028 60.9946 35.7612 173.4771 6 C 4.9133 8.9170 120.8396 58.2374 35.7069 172.4877 7 V 4.6358 8.4796 125.9836 61.3727 33.0918 174.1183 8 L 4.9286 8.8940 128.9554 53.9260 43.3226 176.0765 9 K 4.7263 9.1840 121.9080 55.8704 37.3296 175.8450 10 G 4.1690 7.8709 108.0261 46.1401 0.0000 172.5164 11 D 4.4897 8.7765 118.1152 56.0934 41.6174 177.0781 12 G 4.1706 7.6265 109.2720 44.1905 0.0000 171.5758 13 P 4.4573 0.0000 0.0000 63.4861 32.1688 176.3383 14 V 4.1543 7.5797 120.7018 63.2395 32.0108 174.9090 15 Q 4.8935 7.8085 123.9478 56.4955 32.3839 173.6437 16 G 4.1036 7.7459 105.9263 46.5045 0.0000 171.4341 17 I 5.1923 7.8608 119.1253 59.5714 41.0804 175.1169 18 I 4.6995 8.6980 127.0352 59.4269 40.7414 174.3497 19 N 5.1072 8.2765 121.9839 51.2337 42.2460 173.4821 20 F 5.3281 9.0990 119.6583 55.8592 43.4295 173.8569 21 E 5.1153 9.4773 122.7038 55.0669 33.1299 173.7012 22 Q 4.8995 9.2762 127.5580 54.2206 30.8114 175.6299 23 K 4.1887 8.9028 126.2635 58.3010 32.7972 177.6020 24 E 4.7113 7.7830 117.7632 54.3507 33.3897 176.0777 25 S 4.0245 8.6916 118.8122 61.2062 62.5627 175.0567 26 N 4.8498 8.1673 113.7936 52.4063 37.2964 174.4756 27 G 4.0205 8.1744 109.3761 44.0224 0.0000 171.9661 28 P 4.7188 0.0000 0.0000 62.3327 32.6195 176.2458 29 V 4.6511 8.8939 121.7505 61.2997 33.9755 174.4917 30 K 5.1093 9.5868 128.2433 55.3373 34.0227 176.0094 31 V 5.3779 9.0881 123.9937 58.6868 34.4003 174.6264 32 W 5.3057 7.7015 120.1819 54.9215 31.7645 175.0497 33 G 3.9144 7.6543 106.1332 46.1603 0.0000 171.4063 34 S 5.0480 7.7036 113.7171 57.2582 66.9656 173.2780 35 I 5.1188 8.7697 121.2186 59.4477 41.1214 174.7449 36 K 4.8067 9.2452 124.9344 55.5961 36.3268 176.8536 37 G 3.7165 8.8599 106.0523 45.7588 0.0000 173.4195 38 L 4.4667 7.8114 119.8764 53.1713 43.0397 176.4980 39 T 4.3935 8.1223 111.3159 60.7849 69.7620 174.2094 40 E 4.1280 8.6612 124.3592 57.0336 30.4220 175.8752 41 G 3.7378 8.3671 111.4894 43.9197 0.0000 171.8899 42 L 4.7784 8.1212 119.8439 54.6097 42.7795 176.5559 43 H 4.8956 9.1142 119.8526 53.5570 32.9504 173.2477 44 G 4.0967 9.1283 111.0927 46.8714 0.0000 172.2241 45 F 5.5527 9.4694 125.4307 56.5792 42.2655 173.6837 46 R 5.1135 9.0583 124.4380 54.5976 35.4080 174.2286 47 V 4.5835 8.6173 121.2362 61.9866 33.1789 174.7023 48 H 5.1784 9.4168 125.2016 54.0140 30.9810 175.3187 49 E 3.6979 8.8989 122.5620 58.6432 30.0612 177.4317 50 F 5.0811 8.2182 117.9445 55.6584 41.5115 175.9221 51 G 4.9126 8.5480 113.7804 44.6567 0.0000 173.5174 52 D 4.7957 8.0448 118.6777 52.4775 42.5027 174.7121 53 N 5.1849 8.5533 124.9287 53.4361 39.5384 175.2493 54 T 3.9173 8.7747 109.9195 63.3583 69.5539 174.2498 55 A 4.6717 8.5409 124.7341 50.9919 19.6546 175.6314 56 G 4.0043 7.7290 112.5330 45.9783 0.0000 174.2383 57 C 4.5304 8.5529 114.8635 59.3701 36.2336 175.7031 58 T 3.8338 7.4668 117.7514 66.6377 67.8688 176.1460 59 S 4.3873 7.5631 113.1073 60.0713 63.0102 175.8532 60 A 4.6993 7.4287 125.8013 54.3147 18.2504 178.4912 61 G 3.9932 8.2795 105.4640 44.1867 0.0000 171.2899 62 P 4.6943 0.0000 0.0000 62.3730 32.9743 175.6654 63 H 4.4655 8.2233 115.8451 55.1415 29.6476 174.9403 64 F 4.3648 9.1150 123.6991 58.8242 40.4982 174.1666 65 N 4.2332 8.5885 122.9392 51.9763 38.8574 172.3804 66 P 3.8322 0.0000 0.0000 64.4262 32.2054 174.5766 67 L 3.7064 7.4075 122.1981 54.6164 41.6016 173.8058 *78 E 4.1683 7.5445 125.3733 55.5094 31.2725 176.2896 79 R 4.4990 7.7470 114.1525 54.7440 31.6236 176.0356 80 H 4.5107 8.6409 117.0709 55.2143 29.4772 176.4545 81 V 3.4234 8.5153 123.2215 66.1752 31.3380 177.4940 82 G 3.7361 8.0495 106.7838 46.7495 0.0000 172.7221 83 D 4.7603 7.7899 120.6635 54.3183 40.0871 175.7906 84 L 4.6232 8.5650 123.8085 54.2459 43.0811 177.8803 85 G 4.1324 8.1949 107.3890 45.3684 0.0000 173.9680 86 N 5.7438 8.5441 121.1988 51.3851 42.7675 173.1674 87 V 4.4354 8.7844 112.9712 59.8864 35.8691 174.9325 88 T 5.1017 8.3165 119.1046 61.8358 71.3365 172.8628 89 A 4.9819 9.0872 129.2323 50.4766 21.2311 177.3369 90 D 4.6916 8.9495 123.1382 52.2070 41.1237 177.0395 91 K 4.0152 8.5382 117.2056 59.8915 32.4505 177.1539 92 D 4.5373 8.9586 118.2780 54.0367 41.0226 177.1439 93 G 4.3697 8.4720 108.2136 44.7202 0.0000 172.7644 94 V 4.7705 7.7098 119.2191 60.7919 34.0595 174.1497 95 A 5.3956 9.1507 129.3032 49.3424 21.4568 174.3448 96 D 4.8497 8.7150 123.0324 53.1578 42.6203 175.5154 97 V 4.3223 8.7827 126.5324 61.2870 34.0582 174.7835 98 S 4.9578 8.3685 122.0616 57.9599 64.3438 173.0567 99 I 4.8919 9.2235 128.0322 59.6437 42.0950 174.1591 100 E 5.1528 8.7270 123.7422 54.7638 32.3479 174.0415 101 D 5.0152 9.3759 126.3544 52.2312 44.8774 175.7243 102 S 4.7966 8.7999 118.1741 58.2172 63.6632 174.6408 103 V 4.0686 9.4230 122.9657 65.0957 31.9960 176.7051 104 I 4.1158 7.7788 110.8810 61.0262 38.3896 174.3900 105 S 4.6470 8.4585 114.1139 57.5080 65.4167 174.1626 106 L 4.6158 9.1654 123.0939 54.3043 41.5256 176.2058 107 S 4.4483 7.8607 112.9643 58.0894 66.6277 175.3335 108 G 3.8852 8.5043 107.8105 45.4000 0.0000 173.9848 109 D 4.4397 8.8294 117.7062 57.2925 41.1607 176.8480 110 H 5.0827 8.0951 114.4871 55.4184 29.0294 173.7604 111 C 4.3496 7.9237 120.9942 60.0964 31.7527 173.4707 112 I 3.8490 8.3193 119.2753 60.3161 37.7809 175.3061 113 I 3.9180 7.1986 123.0118 62.7183 37.5404 176.2524 114 G 3.8475 9.1776 114.0332 44.8933 0.0000 172.9129 115 R 4.8042 7.3973 118.3577 54.9438 33.5666 174.6765 116 T 5.0139 8.0003 115.8708 62.0483 71.4114 173.7024 117 L 4.9524 8.5851 127.7526 53.6234 44.2169 175.2903 118 V 4.9749 9.1634 125.7384 60.9831 35.4391 174.1416 119 V 5.0216 8.4787 126.6463 60.4806 33.4133 174.7385 120 H 5.0720 9.5241 123.2423 54.5569 29.7992 175.0793 121 E 4.1780 9.5756 123.1519 59.1152 29.8841 177.2479 122 K 4.7720 7.9920 116.8970 54.0575 35.4451 176.0804 123 A 4.4494 8.4862 124.4317 52.3163 19.0004 176.4769 124 D 4.8131 9.7745 121.3849 52.4671 42.0379 176.5555 125 D 4.4824 8.7138 125.0125 53.6842 39.6585 176.4653 126 L 3.5319 10.8200 118.8319 55.6964 39.9759 174.6963 127 G 4.3570 10.0438 111.2994 45.9632 0.0000 176.7270 128 K 4.3335 7.3257 119.7184 55.8994 30.7771 178.0322 129 G 3.6729 7.9820 107.1238 46.4239 0.0000 174.9949 130 G 4.0978 9.7101 108.1174 45.1224 0.0000 173.2169 131 N 4.5224 7.0167 118.1161 51.9714 38.8006 175.9811 132 E 5.4647 8.5350 114.9442 56.0015 32.1854 177.1867 *141 G 3.9155 8.7941 114.4415 44.2890 0.0000 171.9497 142 S 4.8321 5.8100 114.2015 56.3734 67.2184 175.5585 143 R 4.2875 8.3616 119.9009 55.7083 29.6528 176.6662 144 L 4.2636 8.7841 125.7161 57.6129 42.8872 177.1820 145 A 4.7965 7.6911 117.5889 51.6149 22.7465 173.8768 146 C 5.3227 8.7485 113.5969 56.1917 46.9947 172.6235 147 G 4.7737 8.0066 103.4938 46.2846 0.0000 172.7945 148 V 4.4000 8.3306 120.9235 62.2266 32.9164 175.5925 149 I 4.2117 8.7692 128.8692 60.6922 37.9406 175.3452 150 G 4.4059 8.8632 115.0265 43.9141 0.0000 172.1573 151 I 4.2306 8.2848 121.4712 61.2586 37.5006 175.6433 152 A 4.7876 8.3512 128.3345 49.7584 22.0172 176.3159 153 Q 4.0736 8.4772 118.7022 56.4506 29.2270 175.8546 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 A 8.16 4.61 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.54 4.19 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 1.22 0.00 0.00 3 K 8.86 5.31 0.00 1.71 1.73 0.00 1.76 0.00 0.00 2.05 0.00 0.00 2.97 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.53 1.49 7.81 4 A 9.00 5.22 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 5 V 8.89 5.00 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 0.83 0.00 0.00 0.97 0.00 0.00 6 C 8.92 4.91 0.00 3.15 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 7 V 8.48 4.64 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 0.94 0.00 0.00 0.93 0.00 0.00 8 L 8.89 4.93 0.00 1.68 1.58 1.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.18 4.73 0.00 1.63 1.63 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.87 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 0.00 0.00 0.00 0.00 11 D 8.78 4.49 0.00 2.68 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 12 G 7.63 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 0.00 0.00 0.00 0.00 13 P 0.00 4.46 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 14 V 7.58 4.15 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 0.83 0.00 0.00 0.94 0.00 0.00 15 Q 7.81 4.89 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.45 2.12 0.00 16 G 7.75 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 0.00 0.00 0.00 17 I 7.86 5.19 1.82 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 1.21 1.23 0.83 0.00 0.00 18 I 8.70 4.70 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 1.27 1.19 0.45 0.00 0.00 19 N 8.28 5.11 0.00 1.44 1.45 0.00 0.00 6.78 8.11 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 20 F 9.10 5.33 0.00 2.88 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 21 E 9.48 5.12 0.00 2.49 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 2.41 0.00 22 Q 9.28 4.90 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 23 K 8.90 4.19 0.00 1.81 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.50 7.81 24 E 7.78 4.71 0.00 1.98 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 2.30 2.29 0.00 25 S 8.69 4.02 0.00 3.84 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 26 N 8.17 4.85 0.00 2.85 2.86 0.00 0.00 5.91 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 27 G 8.17 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 0.00 0.00 0.00 28 P 0.00 4.72 0.00 2.00 2.04 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 8.89 4.65 2.23 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 1.24 0.00 0.00 1.07 0.00 0.00 30 K 9.59 5.11 0.00 1.95 1.92 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.44 7.81 31 V 9.09 5.38 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.89 0.00 0.00 32 W 7.70 5.31 0.00 3.50 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 33 G 7.65 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 34 S 7.70 5.05 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 35 I 8.77 5.12 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.89 0.00 0.00 36 K 9.25 4.81 0.00 1.72 1.88 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.34 7.81 37 G 8.86 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 0.00 0.00 0.00 38 L 7.81 4.47 0.00 1.96 1.56 0.77 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.12 4.39 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 1.24 0.00 0.00 40 E 8.66 4.13 0.00 2.03 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 2.29 2.49 0.00 41 G 8.37 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 0.00 0.00 0.00 42 L 8.12 4.78 0.00 1.48 1.57 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.11 4.90 0.00 3.05 3.30 0.00 5.63 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 44 G 9.13 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 0.00 0.00 0.00 45 F 9.47 5.55 0.00 3.02 2.99 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 46 R 9.06 5.11 0.00 1.84 1.83 0.00 3.17 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 47 V 8.62 4.58 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 0.77 0.00 0.00 0.87 0.00 0.00 48 H 9.42 5.18 0.00 3.07 3.42 0.00 5.71 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 49 E 8.90 3.70 0.00 1.68 1.12 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 1.47 2.05 0.00 50 F 8.22 5.08 0.00 3.29 2.86 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 51 G 8.55 4.91 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 52 D 8.04 4.80 0.00 2.64 2.84 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 0.00 0.00 0.00 53 N 8.55 5.18 0.00 2.67 2.72 0.00 0.00 7.26 7.70 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 54 T 8.77 3.92 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 55 A 8.54 4.67 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 56 G 7.73 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 57 C 8.55 4.53 0.00 2.95 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 58 T 7.47 3.83 4.39 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 1.23 0.00 0.00 59 S 7.56 4.39 0.00 4.15 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 60 A 7.43 4.70 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.28 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 62 P 0.00 4.69 0.00 2.10 2.21 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 63 H 8.22 4.47 0.00 3.01 3.12 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.12 4.36 0.00 2.95 3.02 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 65 N 8.59 4.23 0.00 2.67 2.46 0.00 0.00 7.16 7.71 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 66 P 0.00 3.83 0.00 1.90 1.97 0.00 3.19 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 0.00 67 L 7.41 3.71 0.00 1.63 1.76 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *78 E 7.54 4.17 0.00 2.02 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 2.20 2.24 0.00 79 R 7.75 4.50 0.00 1.90 1.91 0.00 3.04 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 80 H 8.64 4.51 0.00 3.25 3.24 0.00 6.11 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.52 3.42 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 0.71 0.00 0.00 0.43 0.00 0.00 82 G 8.05 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 0.00 0.00 0.00 83 D 7.79 4.76 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.57 4.62 0.00 1.92 1.88 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.19 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 86 N 8.54 5.74 0.00 2.58 2.75 0.00 0.00 6.54 7.68 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 87 V 8.78 4.44 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 -0.25 0.00 0.00 0.85 0.00 0.00 88 T 8.32 5.10 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 89 A 9.09 4.98 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 90 D 8.95 4.69 0.00 2.87 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 91 K 8.54 4.02 0.00 1.88 2.12 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.47 7.81 92 D 8.96 4.54 0.00 2.78 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 93 G 8.47 4.37 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 0.00 94 V 7.71 4.77 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 95 A 9.15 5.40 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 96 D 8.71 4.85 0.00 2.66 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 97 V 8.78 4.32 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 0.71 0.00 0.00 0.61 0.00 0.00 98 S 8.37 4.96 0.00 3.92 3.73 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 99 I 9.22 4.89 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 1.01 0.00 0.00 100 E 8.73 5.15 0.00 1.95 1.81 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 2.22 2.34 0.00 101 D 9.38 5.02 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.80 4.80 0.00 4.01 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 0.00 103 V 9.42 4.07 2.23 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 0.80 0.00 0.00 0.95 0.00 0.00 104 I 7.78 4.12 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 1.03 0.00 0.00 105 S 8.46 4.65 0.00 3.86 3.84 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 0.00 0.00 0.00 106 L 9.17 4.62 0.00 1.77 1.64 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.86 4.45 0.00 3.91 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 0.00 108 G 8.50 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 0.00 109 D 8.83 4.44 0.00 2.66 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 0.00 110 H 8.10 5.08 0.00 3.23 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.92 4.35 0.00 3.09 2.84 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 0.00 0.00 0.00 112 I 8.32 3.85 1.57 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.12 0.90 0.00 0.00 113 I 7.20 3.92 1.76 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 1.17 0.34 0.82 0.00 0.00 114 G 9.18 3.85 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 0.00 0.00 0.00 115 R 7.40 4.80 0.00 1.64 1.82 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.26 0.00 116 T 8.00 5.01 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 1.20 0.00 0.00 117 L 8.59 4.95 0.00 1.78 1.53 0.43 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.16 4.97 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 0.70 0.00 0.00 0.75 0.00 0.00 119 V 8.48 5.02 2.29 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 0.74 0.00 0.00 1.05 0.00 0.00 120 H 9.52 5.07 0.00 3.10 3.33 0.00 5.67 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 0.00 121 E 9.58 4.18 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 122 K 7.99 4.77 0.00 1.84 1.69 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 123 A 8.49 4.45 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 0.00 124 D 9.77 4.81 0.00 2.53 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 0.00 125 D 8.71 4.48 0.00 2.94 2.89 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 0.00 126 L 10.82 3.53 0.00 1.80 1.77 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 G 10.04 4.36 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 0.00 128 K 7.33 4.33 0.00 1.76 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.53 7.81 129 G 7.98 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 0.00 130 G 9.71 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 0.00 0.00 0.00 131 N 7.02 4.52 0.00 2.76 2.62 0.00 0.00 5.97 7.66 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 0.00 132 E 8.54 5.46 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 *141 G 8.79 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 0.00 142 S 5.81 4.83 0.00 3.92 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 0.00 143 R 8.36 4.29 0.00 1.68 1.84 0.00 3.18 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 144 L 8.78 4.26 0.00 1.74 1.69 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.69 4.80 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 0.00 146 C 8.75 5.32 0.00 2.96 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 0.00 147 G 8.01 4.77 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 0.00 0.00 0.00 148 V 8.33 4.40 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 0.77 0.00 0.00 0.92 0.00 0.00 149 I 8.77 4.21 1.77 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.48 0.41 0.00 0.00 150 G 8.86 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 0.00 151 I 8.28 4.23 1.85 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 1.24 0.54 0.91 0.00 0.00 152 A 8.35 4.79 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 0.00 153 Q 8.48 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.