NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4209 8.3044 120.3286 54.6207 33.4749 174.3363 2 E 3.7476 8.4046 120.8213 55.3555 30.0351 174.6963 3 A 3.9929 8.7911 128.5986 52.6527 19.8648 176.7577 4 L 3.9285 8.5812 124.8172 57.3518 42.3460 178.1865 5 G 3.9817 9.8581 103.8599 44.5912 0.0000 172.2428 6 A 4.6542 7.2311 117.4682 50.8529 22.1364 176.0862 7 D 4.7277 8.9226 121.3551 53.3988 42.5180 175.7709 8 V 4.5925 8.4246 122.9225 61.3916 34.1155 174.9374 9 T 4.4539 7.8299 124.2647 61.7830 69.1792 174.5649 10 Q 3.9136 8.8447 125.9461 56.8347 28.9711 177.3833 11 G 4.0852 9.0321 109.8440 46.0354 0.0000 172.6863 12 L 5.0998 8.1840 120.0203 52.9331 46.4689 175.0169 13 E 5.4965 8.8120 118.9756 53.0760 34.7302 174.9499 14 K 4.2171 8.4771 122.0481 58.0635 32.3498 176.6642 15 G 4.0515 9.4011 116.3237 45.1534 0.0000 173.9635 16 S 4.3030 8.0440 116.4980 58.6323 64.1855 173.2935 17 L 5.1432 8.4496 123.4308 53.2152 43.0968 175.6476 18 I 4.6593 8.8842 117.2252 58.8997 41.6394 174.6069 19 T 4.3559 8.6281 119.1069 63.5469 69.7133 174.2796 20 C 4.7245 8.2537 126.8188 57.1370 31.2238 174.0518 21 A 4.5136 8.2409 133.9406 50.4054 15.7737 174.7200 22 D 4.9803 7.5670 119.0612 53.2892 42.2605 175.3973 23 N 5.0441 8.3902 115.2254 52.9931 37.5969 175.7075 24 T 3.9704 8.0193 110.9042 63.9373 69.5774 175.3807 25 G 3.9480 8.3918 109.3176 45.0312 0.0000 172.6946 26 A 4.6958 7.3477 122.5450 51.3284 19.8156 177.0276 27 R 4.4183 9.0010 122.5698 57.2086 32.4147 176.3833 28 E 4.9546 7.9917 118.4959 54.2450 33.3119 174.5134 29 L 5.2558 9.0365 125.9163 52.7497 45.6865 175.1692 30 K 4.9463 8.8849 123.4558 54.3274 34.7906 175.3715 31 V 3.8294 8.8144 128.9386 63.6091 31.8756 175.8437 32 I 4.1919 8.5627 128.4284 62.8247 38.8709 175.9747 33 S 4.7297 7.7714 115.2256 57.0894 68.2365 173.0731 34 V 4.5565 8.1523 120.6303 60.9958 33.9002 174.4022 35 H 4.2421 9.0075 128.5734 57.7008 30.0594 175.0776 36 G 3.8710 8.5762 113.3782 46.2140 0.0000 172.2553 37 Y 4.5530 7.6535 119.5836 55.9198 40.0724 175.1441 38 S 4.3154 7.1819 119.6237 56.6778 65.8197 173.0254 39 G 4.1795 7.9526 123.8219 45.1094 0.0000 173.9818 40 T 4.4666 8.2958 118.0426 59.8796 70.0537 172.1799 41 K 3.8457 8.4962 125.5350 58.4928 32.2055 176.4573 42 N 4.6863 9.0578 122.7636 53.5137 37.3658 174.7201 43 R 4.0490 7.8478 118.8085 56.0530 30.5854 175.5646 44 H 4.5053 8.7190 123.3115 54.6060 29.6360 173.2897 45 P 4.4758 0.0000 0.0000 63.2783 31.8246 175.2317 46 K 4.9721 7.8477 123.1787 55.1446 34.9006 175.4441 47 A 4.7707 9.0767 123.2554 50.7187 23.2262 175.4225 48 G 4.2590 9.1952 105.9756 44.6607 0.0000 171.3428 49 L 4.1007 8.5687 121.8112 57.2991 41.9993 177.6030 50 G 4.1635 9.0037 115.2362 45.1820 0.0000 173.1680 51 D 4.7487 8.1366 120.0089 53.9099 42.5279 175.3740 52 K 4.8085 8.6776 123.3182 55.4097 34.1086 175.2616 53 I 5.1269 8.9271 119.8697 59.4482 41.5868 174.2722 54 T 4.7926 8.6592 121.4145 63.1508 69.8983 174.2956 55 V 4.9919 9.4013 125.2671 60.0706 35.8360 173.9738 56 S 5.0281 8.8598 115.5904 56.4492 65.6984 173.0849 57 V 4.3608 8.2879 126.6232 62.7749 31.5043 176.3231 58 T 4.1515 8.5823 125.9694 65.2637 69.5252 175.9385 59 K 4.5435 9.0514 119.5295 53.5909 35.9957 177.4563 60 G 3.5429 8.3019 109.9946 45.7103 0.0000 172.1012 61 T 4.0813 7.6950 110.5596 60.7994 69.5787 173.4401 62 P 4.2164 0.0000 0.0000 66.2796 31.4167 178.5994 63 E 4.1083 8.0726 115.2325 59.4439 29.6996 178.7593 64 M 4.1800 7.7578 117.4441 56.9966 32.3486 177.1536 65 R 4.1509 7.4471 116.9407 57.9319 30.7142 177.6258 66 R 4.0177 8.7812 118.3692 56.7320 29.6984 176.9497 67 Q 4.1578 7.6420 117.6695 55.7907 30.0507 175.4462 68 V 4.4865 8.3115 123.3609 61.6965 32.5142 174.5599 69 L 4.9510 8.8138 127.2174 53.0631 46.5243 175.5164 70 E 4.9687 8.4705 118.4775 55.8039 32.0959 175.1010 71 A 4.8520 8.5253 121.9564 51.2865 23.6175 175.1997 72 V 4.4859 8.2673 118.7659 60.8451 34.7829 174.8319 73 V 4.0448 8.5949 128.2466 63.0216 31.8299 176.2180 74 V 4.0333 8.7602 128.4708 63.9466 33.4803 175.5892 75 R 4.2478 7.4607 117.5829 54.5568 34.7546 174.0874 76 Q 5.0226 8.3351 118.2903 55.2155 31.6008 175.8043 77 R 4.3157 9.2149 120.1603 58.3389 30.5129 177.6507 78 K 4.2143 7.8979 119.1488 55.4154 31.3327 175.3695 79 P 4.8545 0.0000 0.0000 63.0369 32.7075 175.0536 80 I 4.8759 8.6588 114.7919 59.1456 41.5298 173.9073 81 R 4.9919 9.2979 123.8853 54.8044 32.3224 175.2502 82 R 4.6822 8.7652 125.2876 54.2726 31.7865 175.7657 83 P 4.2391 0.0000 0.0000 65.8232 31.4180 176.9249 84 D 4.6101 8.0954 114.8240 53.0545 39.5419 177.1625 85 G 4.0084 8.6377 109.8990 45.8026 0.0000 174.5304 86 T 4.0992 7.6262 117.2204 63.7426 69.4584 174.1493 87 R 4.9282 8.4433 123.9347 55.2724 32.2882 175.9597 88 V 4.4777 8.7720 121.4608 61.0277 34.6713 174.4527 89 K 4.9598 8.3391 125.4778 55.3672 35.5265 175.2913 90 F 4.7607 8.8728 120.1924 55.6460 41.7158 176.5178 91 E 4.0854 9.0380 120.3990 58.8610 29.6769 175.0998 92 D 4.8103 7.7539 115.6560 52.4462 42.9594 173.6470 93 N 5.2793 8.7207 114.6929 51.7141 41.0419 174.1504 94 A 5.2181 8.9627 124.0894 50.5496 23.3760 174.5997 95 A 5.0184 9.0940 120.7629 50.1794 23.6065 175.1650 96 V 4.5733 8.3054 119.0701 60.6776 34.5175 175.2208 97 I 4.2038 8.5701 129.1567 61.7579 37.9965 175.3312 98 V 4.8411 8.4135 125.3670 61.4430 35.2028 175.0547 99 D 4.8606 8.2531 124.6884 51.9152 41.7952 176.3617 100 E 3.9398 8.7872 118.3302 59.2715 29.6274 177.9114 101 N 4.7038 8.2779 113.1162 52.6496 39.0973 174.8488 102 E 3.8413 8.1717 116.7935 56.9435 27.6158 173.6418 103 D 4.9107 8.6500 119.3912 51.3121 41.9874 174.5010 104 P 4.7159 0.0000 0.0000 62.9137 31.7586 176.4532 105 R 3.9032 8.4517 122.8196 59.1012 30.1625 177.1400 106 G 3.9489 7.7128 105.2269 45.1772 0.0000 173.1812 107 T 4.2410 8.5111 115.0597 64.7770 69.3153 175.4499 108 E 4.8477 8.5786 119.4552 54.3923 33.2950 175.2931 109 L 4.8540 8.4697 121.6678 53.1756 44.1228 175.8555 110 K 4.3885 8.5316 122.2125 55.8889 33.7341 177.5850 111 G 3.9508 8.9671 110.7501 43.9693 0.0000 170.4271 112 P 4.8615 0.0000 0.0000 62.8913 32.4268 175.7291 113 I 4.6696 8.4755 119.5186 59.2869 41.8865 174.8367 114 A 4.8619 8.1694 126.6637 51.6953 19.1015 178.9355 115 R 3.9282 9.0460 119.6924 59.6851 29.1691 179.2947 116 E 3.9798 8.2203 118.6074 59.2156 29.4393 179.3612 117 V 3.6961 7.7078 117.6313 65.8294 31.5194 177.6452 118 A 4.0360 7.7786 119.6751 55.3702 18.2596 179.1346 119 Q 4.0203 8.0377 117.0193 59.1395 29.2127 177.9964 120 R 3.9586 7.5520 118.9376 57.8089 31.0987 176.4928 121 F 4.7161 8.0106 120.4382 54.8580 39.1830 175.9566 122 G 3.7782 8.6704 112.7208 47.9135 0.0000 172.7953 123 S 4.1573 8.1034 116.4082 60.9720 62.8868 176.5466 124 V 3.5800 7.8803 121.3222 65.5437 31.3425 177.7807 125 A 4.0860 8.0942 120.9184 55.2389 18.1122 179.6815 126 S 4.3072 8.1481 111.3139 61.3984 62.8826 175.8878 127 A 4.2273 7.4955 120.5735 52.1574 19.0060 177.4974 128 A 4.1641 7.7028 120.9569 52.4718 19.2676 177.4999 129 T 4.3028 8.5223 117.4104 65.1531 69.8485 175.3075 130 M 4.7622 7.8550 120.5492 53.4320 35.2786 174.7203 131 I 4.5268 8.5622 124.4086 59.6698 39.6993 175.7743 132 V 4.0395 8.7823 127.1797 62.8166 31.5471 175.5057 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 M 8.30 4.42 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 2 E 8.40 3.75 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 3 A 8.79 3.99 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 4 L 8.58 3.93 0.00 1.62 1.80 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.86 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 0.00 0.00 0.00 6 A 7.23 4.65 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 7 D 8.92 4.73 0.00 2.62 2.61 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 0.00 0.00 0.00 0.00 8 V 8.42 4.59 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 0.84 0.00 0.00 0.97 0.00 0.00 9 T 7.83 4.45 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 10 Q 8.84 3.91 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 11 G 9.03 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 12 L 8.18 5.10 0.00 1.66 1.49 0.89 0.62 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 13 E 8.81 5.50 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 14 K 8.48 4.22 0.00 1.69 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.65 7.81 15 G 9.40 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 0.00 0.00 0.00 0.00 16 S 8.04 4.30 0.00 3.85 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 17 L 8.45 5.14 0.00 1.50 1.58 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.88 4.66 2.00 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 1.33 1.31 0.89 0.00 0.00 19 T 8.63 4.36 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 1.19 0.00 0.00 20 C 8.25 4.72 0.00 2.89 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 21 A 8.24 4.51 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 22 D 7.57 4.98 0.00 2.79 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 23 N 8.39 5.04 0.00 2.80 2.89 0.00 0.00 5.95 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 24 T 8.02 3.97 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 1.23 0.00 0.00 25 G 8.39 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.35 4.70 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 27 R 9.00 4.42 0.00 1.84 1.96 0.00 3.06 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 7.99 4.95 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 2.24 2.35 0.00 29 L 9.04 5.26 0.00 1.54 1.48 0.88 0.48 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 30 K 8.88 4.95 0.00 1.73 1.75 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.32 7.81 31 V 8.81 3.83 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.94 0.00 0.00 32 I 8.56 4.19 1.99 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 1.22 0.91 0.91 0.00 0.00 33 S 7.77 4.73 0.00 3.73 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 34 V 8.15 4.56 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 1.00 0.00 0.00 0.84 0.00 0.00 35 H 9.01 4.24 0.00 3.20 3.34 0.00 6.12 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.58 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 37 Y 7.65 4.55 0.00 2.94 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 38 S 7.18 4.32 0.00 3.65 3.44 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 39 G 7.95 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 40 T 8.30 4.47 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 1.23 0.00 0.00 41 K 8.50 3.85 0.00 1.75 1.76 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 9.06 4.69 0.00 2.96 3.05 0.00 0.00 7.08 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 43 R 7.85 4.05 0.00 1.81 2.08 0.00 3.38 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 44 H 8.72 4.51 0.00 3.24 3.22 0.00 5.96 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.48 0.00 2.07 2.39 0.00 3.71 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 46 K 7.85 4.97 0.00 1.66 1.74 0.00 1.51 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.07 1.18 7.81 47 A 9.08 4.77 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 48 G 9.20 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 0.00 0.00 0.00 0.00 49 L 8.57 4.10 0.00 1.62 1.68 0.83 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.00 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 0.00 0.00 0.00 0.00 51 D 8.14 4.75 0.00 2.77 2.61 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 0.00 0.00 0.00 0.00 52 K 8.68 4.81 0.00 1.92 1.70 0.00 1.57 0.00 0.00 1.84 0.00 0.00 2.76 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.39 1.45 7.81 53 I 8.93 5.13 1.96 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 1.29 0.62 0.88 0.00 0.00 54 T 8.66 4.79 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 1.26 0.00 0.00 55 V 9.40 4.99 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 0.72 0.00 0.00 0.98 0.00 0.00 56 S 8.86 5.03 0.00 3.86 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.29 4.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 58 T 8.58 4.15 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 59 K 9.05 4.54 0.00 1.71 1.64 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.30 3.54 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 0.00 61 T 7.70 4.08 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 1.24 0.00 0.00 62 P 0.00 4.22 0.00 2.03 2.17 0.00 3.67 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 2.03 2.19 0.00 63 E 8.07 4.11 0.00 1.93 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 2.31 2.34 0.00 64 M 7.76 4.18 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.71 0.00 65 R 7.45 4.15 0.00 2.00 1.88 0.00 3.26 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 66 R 8.78 4.02 0.00 1.95 2.09 0.00 3.16 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.64 4.16 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 68 V 8.31 4.49 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.81 4.95 0.00 1.55 1.48 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.47 4.97 0.00 2.04 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 2.31 2.28 0.00 71 A 8.53 4.85 1.13 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 72 V 8.27 4.49 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 0.55 0.00 0.00 -0.14 0.00 0.00 73 V 8.59 4.04 2.21 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 0.85 0.00 0.00 0.93 0.00 0.00 74 V 8.76 4.03 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 0.75 0.00 0.00 0.91 0.00 0.00 75 R 7.46 4.25 0.00 1.49 1.22 0.00 3.00 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.28 0.00 76 Q 8.34 5.02 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 77 R 9.21 4.32 0.00 1.84 2.06 0.00 3.14 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 78 K 7.90 4.21 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.55 7.81 79 P 0.00 4.85 0.00 2.12 1.96 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 80 I 8.66 4.88 2.01 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 1.38 1.25 1.00 0.00 0.00 81 R 9.30 4.99 0.00 1.85 1.81 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 82 R 8.77 4.68 0.00 1.80 1.82 0.00 3.22 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 83 P 0.00 4.24 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 84 D 8.10 4.61 0.00 2.78 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 85 G 8.64 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 86 T 7.63 4.10 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 87 R 8.44 4.93 0.00 1.67 1.83 0.00 3.31 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 88 V 8.77 4.48 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 0.71 0.00 0.00 0.89 0.00 0.00 89 K 8.34 4.96 0.00 1.90 1.68 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.38 7.81 90 F 8.87 4.76 0.00 3.19 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 91 E 9.04 4.09 0.00 1.98 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 2.32 2.26 0.00 92 D 7.75 4.81 0.00 2.67 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 93 N 8.72 5.28 0.00 2.63 2.72 0.00 0.00 6.48 7.17 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 94 A 8.96 5.22 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 95 A 9.09 5.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.31 4.57 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 0.95 0.00 0.00 0.90 0.00 0.00 97 I 8.57 4.20 1.83 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 1.07 0.94 0.87 0.00 0.00 98 V 8.41 4.84 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 0.67 0.00 0.00 0.85 0.00 0.00 99 D 8.25 4.86 0.00 2.94 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 0.00 100 E 8.79 3.94 0.00 1.94 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 0.00 2.30 2.34 0.00 101 N 8.28 4.70 0.00 2.75 2.83 0.00 0.00 7.02 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 0.00 102 E 8.17 3.84 0.00 2.27 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 0.00 2.25 2.32 0.00 103 D 8.65 4.91 0.00 2.99 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 0.00 104 P 0.00 4.72 0.00 2.15 2.03 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 105 R 8.45 3.90 0.00 1.81 1.97 0.00 3.23 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 1.62 1.56 0.00 106 G 7.71 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.51 4.24 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 1.21 0.00 0.00 108 E 8.58 4.85 0.00 1.87 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 2.20 2.24 0.00 109 L 8.47 4.85 0.00 1.50 1.55 0.97 0.88 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 0.00 110 K 8.53 4.39 0.00 1.62 1.71 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.35 7.81 111 G 8.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.86 0.00 2.29 2.18 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 113 I 8.48 4.67 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.73 0.90 0.00 0.00 114 A 8.17 4.86 1.44 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 0.00 115 R 9.05 3.93 0.00 2.09 2.26 0.00 2.80 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.22 3.98 0.00 2.13 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 2.43 2.53 0.00 117 V 7.71 3.70 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 1.28 0.00 0.00 1.02 0.00 0.00 118 A 7.78 4.04 1.42 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 0.00 0.00 119 Q 8.04 4.02 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 120 R 7.55 3.96 0.00 1.54 1.66 0.00 3.08 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 121 F 8.01 4.72 0.00 3.19 2.94 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 0.00 122 G 8.67 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 0.00 123 S 8.10 4.16 0.00 4.08 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 0.00 124 V 7.88 3.58 2.35 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 1.01 0.00 0.00 0.87 0.00 0.00 125 A 8.09 4.09 1.43 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 0.00 126 S 8.15 4.31 0.00 4.03 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 0.00 127 A 7.50 4.23 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 0.00 128 A 7.70 4.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.52 4.30 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 1.22 0.00 0.00 130 M 7.85 4.76 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.56 4.53 1.90 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 1.26 0.64 0.95 0.00 0.00 132 V 8.78 4.04 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 0.90 0.00 0.00 1.00 0.00 0.00