NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0080 8.0549 117.9084 60.3277 33.6067 175.6067 4 I 4.2447 7.8781 122.5896 58.1890 37.6438 173.1403 5 N 5.1515 8.5070 122.8220 50.9072 39.1088 173.9893 6 T 4.6336 7.6818 109.0637 60.6165 72.4464 174.7706 7 F 4.2388 8.3734 120.0562 61.1161 39.0267 177.7820 8 D 4.5704 8.3192 118.0838 57.1070 40.7301 178.8578 9 G 3.7016 8.2415 106.5974 47.9196 0.0000 176.0772 10 V 3.8196 8.2466 121.9512 63.7524 31.6541 178.2489 11 A 4.0481 8.1665 121.5826 55.3975 18.2753 179.4087 12 D 4.2651 8.2649 117.3250 57.5339 40.8335 178.3999 13 Y 3.9224 8.1268 119.9236 60.6199 38.8450 178.0130 14 A 4.1400 8.3475 123.4009 54.7466 18.2836 179.7026 15 Q 3.5771 7.6809 115.5378 58.7788 28.7350 178.8746 16 T 3.5450 6.8930 115.6128 66.2187 68.8091 176.1726 17 Y 4.2001 6.8889 115.0428 57.2564 38.7754 175.0416 18 H 2.6542 6.9839 116.4738 55.4543 26.7302 174.0065 19 K 4.5404 7.0649 114.4711 56.4590 34.7295 174.2107 20 L 4.2018 8.4477 119.6358 53.3066 42.5136 175.3828 21 P 3.8725 0.0000 0.0000 62.2936 31.7626 177.4449 22 D 4.4058 8.4291 119.5368 57.1973 40.9852 177.4792 23 N 4.5050 8.0538 114.8855 53.5038 37.6695 173.6344 24 Y 5.1644 7.6578 118.2127 56.9014 40.3618 174.6923 25 I 4.9345 8.7232 115.5812 59.2481 41.6775 174.8427 26 T 4.5311 8.6565 113.8097 61.4240 70.0272 175.5003 27 K 4.0091 9.7343 123.0940 59.7165 32.1240 179.8205 28 S 4.3484 8.1137 113.7464 60.9582 63.0681 176.2858 29 E 3.9923 7.9859 122.7442 59.2113 29.2196 178.9596 30 A 4.0221 8.2032 120.8699 55.3286 18.4515 179.6897 31 Q 4.3229 8.6175 116.4344 59.2352 28.5770 178.9626 32 A 4.0948 7.8818 120.6782 54.9822 18.5272 179.0416 33 L 4.2876 7.5157 115.4338 55.1669 41.9002 177.7386 34 G 4.1824 7.7053 107.7099 44.9233 0.0000 173.6830 35 W 4.4604 8.3224 130.4922 56.8947 31.1950 175.6630 36 V 3.7828 8.8877 125.8070 60.5398 32.2783 175.4422 37 A 3.6626 7.4988 131.3769 55.3637 18.1670 179.5208 38 S 4.4485 7.9148 109.6537 60.7243 62.9545 175.0510 39 K 4.3515 7.9481 117.9442 55.1417 32.8735 176.0750 40 G 3.3222 7.2240 107.5053 46.3860 0.0000 173.5332 41 N 4.8121 7.9126 112.0235 52.3450 38.3149 176.1647 42 L 3.8851 8.5450 122.1837 59.0959 41.6503 178.9036 43 A 4.0312 8.1269 118.1962 55.1745 18.3250 178.8153 44 D 4.4597 7.9495 116.7910 57.1148 41.1825 178.6688 45 V 4.1469 7.7612 109.9846 61.6808 33.8363 176.5657 46 A 4.6709 8.2006 121.7945 49.4928 19.3914 173.0142 47 P 4.4729 0.0000 0.0000 63.4413 32.2429 177.6751 48 G 3.8777 8.8914 110.2586 45.3795 0.0000 173.0337 49 K 4.7656 7.4649 117.8975 54.9503 34.4608 175.8669 50 S 4.4590 8.1820 116.7013 56.5453 67.6793 173.4793 51 I 4.2526 7.8779 122.8880 61.3251 37.9905 175.3495 52 G 4.2229 9.5297 112.1027 46.8973 0.0000 173.8784 53 G 4.4255 9.6040 110.4595 44.3476 0.0000 173.8277 54 D 4.7442 7.8522 119.4769 53.8049 42.4071 175.8367 55 I 4.3742 8.3354 122.1353 61.4090 38.1297 175.1463 56 F 4.8174 8.9241 129.4016 56.3259 40.1113 175.5997 57 S 3.9437 8.2704 121.6914 59.6024 63.2298 174.1678 58 N 3.8693 6.3605 119.6472 54.5636 37.0236 176.5963 *59 R 3.8773 8.1224 117.5034 59.8055 29.2202 181.2053 60 E 4.1618 8.2022 110.9048 55.5843 29.3011 179.0867 61 G 4.4422 7.8334 105.9202 47.3519 0.0000 175.5902 62 K 4.0687 7.5461 120.9147 58.1917 32.3070 177.7670 63 L 3.8188 7.2053 118.2883 51.7574 42.5681 174.7283 64 P 4.2334 0.0000 0.0000 63.1912 31.4801 176.2927 65 G 4.1319 8.3223 111.6454 44.4243 0.0000 172.4506 66 K 4.1925 8.0032 119.5400 55.7655 34.7495 175.1949 67 S 4.2225 8.7506 121.6287 59.6908 62.3678 174.9859 68 G 3.9053 8.8503 113.2397 44.5714 0.0000 172.8411 69 R 4.1727 7.9270 120.6772 55.0771 31.3443 175.5193 70 T 4.6703 8.1363 114.4316 59.6571 72.3402 172.6352 71 W 5.0606 8.6606 122.6429 55.3144 31.8934 175.1974 72 R 5.1859 8.6636 121.8529 54.2603 34.0326 174.0156 73 E 5.5212 8.9328 117.6772 55.0202 33.7190 174.3858 74 A 5.0317 8.7897 120.4451 50.6660 23.0602 175.4724 75 D 4.9617 9.1198 122.0015 54.3991 41.3682 176.0995 76 I 4.3236 8.2406 123.1029 60.1088 40.4651 175.7842 77 N 4.2026 8.9679 121.3002 54.2107 36.5191 173.7343 78 Y 4.3544 7.3181 120.6800 57.3358 39.7206 175.4121 79 T 4.0385 7.1904 114.6973 62.6107 70.7811 173.6333 80 S 4.1302 6.4349 112.2358 58.4671 65.4746 174.9918 81 G 3.7657 8.4945 108.0499 44.5013 0.0000 173.2953 82 F 4.4125 8.5201 116.8068 57.1101 39.5927 175.5450 83 R 4.3081 8.7904 121.8628 56.6357 30.5267 176.5656 84 N 4.9955 8.5290 118.0827 52.0112 40.0049 175.0903 85 S 4.4260 8.4734 112.6864 58.4773 64.8296 172.6176 86 D 5.3970 8.3012 121.4266 53.6560 42.3880 175.8770 87 R 5.1090 9.1653 121.5441 54.5230 35.3266 173.7045 88 I 5.1058 9.0841 121.9609 59.3821 40.9226 174.0549 89 L 5.5315 9.4011 129.5266 53.1799 44.0595 174.9858 90 Y 5.6819 9.1037 122.4139 55.3446 41.5550 175.4426 91 S 4.1499 8.4382 117.3596 56.3756 65.2045 175.2005 92 S 3.5228 7.7099 114.2158 60.1599 62.7409 174.7834 93 D 4.6236 7.3385 119.0436 52.2475 39.3772 175.9109 94 W 3.7268 6.9261 117.0722 58.3345 27.0694 174.4706 95 L 4.5938 8.0117 117.7251 54.5260 43.1304 176.8292 96 I 5.4492 8.6871 122.4419 60.0003 40.7355 174.2219 97 Y 5.2061 9.5942 124.3576 55.9244 42.0589 174.6980 98 K 5.3026 9.5263 120.2631 55.5647 36.4624 174.9137 99 T 4.9252 8.8158 115.6891 60.5759 70.7127 174.0777 100 T 5.0875 8.8459 115.6200 60.3641 69.4238 173.3880 101 D 4.7838 7.4470 121.6811 53.9710 40.0489 175.0870 102 H 3.4257 8.4803 111.1366 58.6319 26.5948 175.0495 103 Y 3.1913 7.3382 109.3140 59.1258 35.9403 172.2171 104 Q 4.1405 7.8276 119.5886 58.5395 28.9624 176.6817 105 T 4.6647 7.9421 105.3426 59.6389 71.8317 172.8610 106 F 5.4469 8.5367 120.1221 56.1478 43.1701 174.2853 107 T 4.9110 8.9827 110.8343 59.6456 72.3706 173.0119 108 K 3.7168 8.7642 125.6331 56.3139 32.2912 176.4264 109 I 4.4546 8.4121 119.0665 60.7752 39.7571 175.7342 110 R 4.1556 7.5473 124.8294 56.5965 31.0191 174.5146 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 *3 V 8.05 4.01 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 4 I 7.88 4.24 1.77 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.12 0.92 0.00 0.00 5 N 8.51 5.15 0.00 2.76 2.82 0.00 0.00 6.38 7.22 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 6 T 7.68 4.63 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 1.21 0.00 0.00 7 F 8.37 4.24 0.00 3.13 3.09 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 8 D 8.32 4.57 0.00 2.75 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 9 G 8.24 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 0.00 0.00 0.00 10 V 8.25 3.82 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 1.10 0.00 0.00 0.79 0.00 0.00 11 A 8.17 4.05 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 12 D 8.26 4.27 0.00 2.85 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 13 Y 8.13 3.92 0.00 3.22 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.35 4.14 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 15 Q 7.68 3.58 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 16 T 6.89 3.55 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 0.13 0.00 0.00 17 Y 6.89 4.20 0.00 2.53 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 6.98 2.65 0.00 3.18 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.06 4.54 0.00 2.02 2.01 0.00 1.60 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.62 1.63 7.81 20 L 8.45 4.20 0.00 1.65 1.47 0.78 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.87 0.00 2.30 1.34 0.00 3.43 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.17 0.00 22 D 8.43 4.41 0.00 2.62 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 23 N 8.05 4.51 0.00 2.76 2.90 0.00 0.00 6.21 7.57 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 24 Y 7.66 5.16 0.00 3.03 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 25 I 8.72 4.93 1.85 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 1.28 0.80 0.89 0.00 0.00 26 T 8.66 4.53 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 1.27 0.00 0.00 27 K 9.73 4.01 0.00 1.93 2.19 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.63 7.81 28 S 8.11 4.35 0.00 4.11 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 0.00 29 E 7.99 3.99 0.00 2.15 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 2.36 2.36 0.00 30 A 8.20 4.02 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 31 Q 8.62 4.32 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.96 0.00 32 A 7.88 4.09 1.41 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 33 L 7.52 4.29 0.00 1.81 1.77 0.93 1.11 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 34 G 7.71 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.32 4.46 0.00 3.16 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 36 V 8.89 3.78 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 37 A 7.50 3.66 0.93 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 0.00 0.00 38 S 7.91 4.45 0.00 3.84 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 39 K 7.95 4.35 0.00 1.68 1.78 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.32 7.81 40 G 7.22 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 0.00 0.00 0.00 41 N 7.91 4.81 0.00 2.90 3.02 0.00 0.00 5.71 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 42 L 8.54 3.89 0.00 1.37 1.69 0.51 0.38 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 43 A 8.13 4.03 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 44 D 7.95 4.46 0.00 2.86 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 45 V 7.76 4.15 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 0.93 0.00 0.00 1.10 0.00 0.00 46 A 8.20 4.67 1.17 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 47 P 0.00 4.47 0.00 2.03 2.00 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 48 G 8.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.46 4.77 0.00 1.69 1.58 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.48 7.81 50 S 8.18 4.46 0.00 3.05 3.49 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 51 I 7.88 4.25 1.83 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.15 0.83 0.00 0.00 52 G 9.53 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 0.00 0.00 0.00 0.00 53 G 9.60 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.85 4.74 0.00 2.72 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 55 I 8.34 4.37 1.88 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 1.24 0.73 0.96 0.00 0.00 56 F 8.92 4.82 0.00 3.00 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 57 S 8.27 3.94 0.00 3.82 3.79 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 0.00 0.00 0.00 58 N 6.36 3.87 0.00 2.87 2.80 0.00 0.00 7.30 7.65 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 *59 R 8.12 3.88 0.00 1.87 1.86 0.00 3.32 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 60 E 8.20 4.16 0.00 1.89 1.96 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 2.31 1.88 0.00 61 G 7.83 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 0.00 0.00 0.00 0.00 62 K 7.55 4.07 0.00 1.69 2.01 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.68 1.56 7.81 63 L 7.21 3.82 0.00 0.64 0.13 -0.68 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.23 0.00 2.31 2.13 0.00 3.05 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.07 0.00 65 G 8.32 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 66 K 8.00 4.19 0.00 1.74 1.55 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.31 7.81 67 S 8.75 4.22 0.00 3.67 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 68 G 8.85 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 69 R 7.93 4.17 0.00 1.57 1.89 0.00 3.21 0.00 0.00 2.68 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.92 0.00 70 T 8.14 4.67 4.16 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 1.13 0.00 0.00 71 W 8.66 5.06 0.00 3.56 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 72 R 8.66 5.19 0.00 0.67 1.50 0.00 2.97 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.00 73 E 8.93 5.52 0.00 2.19 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 2.48 2.38 0.00 74 A 8.79 5.03 1.01 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 75 D 9.12 4.96 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.24 4.32 1.25 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 1.11 0.76 -0.22 0.00 0.00 77 N 8.97 4.20 0.00 2.75 2.87 0.00 0.00 6.91 7.45 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 78 Y 7.32 4.35 0.00 3.13 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 79 T 7.19 4.04 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 1.08 0.00 0.00 80 S 6.43 4.13 0.00 3.85 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 81 G 8.49 3.77 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 82 F 8.52 4.41 0.00 3.20 3.14 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 83 R 8.79 4.31 0.00 2.00 1.96 0.00 3.15 0.00 0.00 3.54 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 84 N 8.53 5.00 0.00 2.85 2.96 0.00 0.00 5.94 7.64 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 85 S 8.47 4.43 0.00 3.92 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 86 D 8.30 5.40 0.00 2.88 2.58 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 87 R 9.17 5.11 0.00 1.54 1.78 0.00 3.51 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.00 88 I 9.08 5.11 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 1.10 0.00 0.00 89 L 9.40 5.53 0.00 1.61 1.56 0.47 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.10 5.68 0.00 3.09 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 91 S 8.44 4.15 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 3.52 0.00 3.78 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 93 D 7.34 4.62 0.00 2.76 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 94 W 6.93 3.73 0.00 3.54 3.41 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 95 L 8.01 4.59 0.00 1.82 1.93 1.19 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.69 5.45 1.96 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 1.10 0.00 0.00 97 Y 9.59 5.21 0.00 2.89 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 98 K 9.53 5.30 0.00 1.35 1.68 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.05 1.12 7.81 99 T 8.82 4.93 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 1.03 0.00 0.00 100 T 8.85 5.09 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 1.29 0.00 0.00 101 D 7.45 4.78 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.48 3.43 0.00 3.33 3.47 0.00 5.99 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.34 3.19 0.00 3.20 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 0.00 104 Q 7.83 4.14 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 105 T 7.94 4.66 4.20 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 1.17 0.00 0.00 106 F 8.54 5.45 0.00 2.80 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 0.00 107 T 8.98 4.91 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 1.23 0.00 0.00 108 K 8.76 3.72 0.00 1.48 1.60 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 0.86 7.81 109 I 8.41 4.45 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.86 0.78 0.00 0.00 110 R 7.55 4.16 0.00 1.85 1.90 0.00 3.32 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.