NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3328 8.2993 122.1436 54.3617 33.5169 174.3948 6 E 4.4292 8.4281 113.7476 57.0770 31.1732 174.5190 7 R 4.5937 9.6443 121.4320 55.0470 33.3559 176.4779 8 I 4.8506 8.3952 122.6688 59.7901 39.8373 174.4530 9 Y 5.0849 8.8817 123.9005 55.8852 42.0555 174.1910 10 E 5.0217 9.3170 120.0849 54.6667 32.9088 174.8503 11 S 5.2366 9.1556 116.4505 57.0599 65.8487 171.9189 12 M 5.2466 9.3137 127.9852 53.8498 34.3560 174.5286 13 F 5.4627 8.8062 120.1103 55.1537 42.2240 173.4853 14 I 4.8251 8.8559 121.4409 59.6953 40.1983 174.4850 15 I 4.9403 8.5368 127.8089 59.4318 39.2084 175.2883 16 A 4.0004 8.7913 128.7322 51.7364 18.9102 176.7859 17 P 4.2876 0.0000 0.0000 64.1112 31.8609 176.5936 18 N 4.6471 7.5938 115.6556 52.6934 37.7147 174.5821 19 V 4.0059 7.2159 119.7915 61.2629 32.3328 174.5368 20 P 4.3394 0.0000 0.0000 62.9727 33.0574 176.9095 21 E 3.9402 8.7549 121.1195 59.5495 29.6385 179.1840 22 E 3.9884 8.1534 118.2224 59.3935 29.4868 179.0039 23 E 4.0205 8.1440 118.2682 59.2061 29.5805 179.2085 24 R 3.9738 8.3413 118.5814 59.5491 30.2074 178.9385 25 E 4.0496 8.5424 118.4655 59.4777 29.4400 179.1398 26 N 4.3723 8.3810 116.5695 56.3112 38.4991 177.4131 27 L 4.0649 8.2767 120.5646 57.7087 41.7322 179.5084 28 V 3.8592 7.9553 118.2197 66.4361 31.4687 177.9781 29 E 3.9788 8.2741 118.0398 59.3972 29.1378 179.6744 30 R 3.7211 7.9605 118.2197 58.9645 30.0829 179.1245 31 V 2.7973 7.6482 118.2297 65.6171 31.3538 177.9919 32 K 3.7431 7.8802 118.0762 59.6667 31.8881 179.4588 33 K 3.8350 7.9084 118.3727 59.2189 31.8545 179.5237 34 I 3.3877 7.5188 120.4069 64.2410 36.9493 178.4170 35 I 3.2623 7.3216 120.4547 64.2269 36.7285 178.3802 36 E 4.0581 8.0114 120.5936 58.9301 29.1543 178.9696 37 E 4.1633 8.1879 116.5232 57.0783 30.0599 177.1443 38 R 4.3384 7.5333 115.7817 57.6953 31.8481 177.8633 39 V 3.6646 7.5410 115.3472 63.7444 31.9018 175.5398 40 K 4.0834 7.2201 116.6763 56.6527 28.7592 174.9729 41 G 4.2399 8.2348 105.4280 44.6959 0.0000 173.2990 42 K 4.9613 8.9433 123.1023 54.5293 34.0534 175.3426 43 I 4.5306 8.4473 128.8377 61.5119 37.2855 175.5006 44 D 4.7625 9.3023 127.1623 56.0406 42.3233 177.0741 45 K 4.4799 7.7415 115.8982 55.4405 35.7150 174.1846 46 V 4.8724 8.7046 126.5153 61.3079 33.9739 174.3273 47 E 4.5612 9.4751 128.8964 54.9027 31.2650 175.9628 48 R 4.5850 8.5915 125.3477 55.6054 29.3034 176.5346 49 M 4.0286 8.9635 125.0629 56.1882 32.9424 178.0253 50 G 3.7775 8.0994 106.8598 43.0792 0.0000 171.1599 51 M 4.6945 8.3602 118.7670 55.7584 32.8938 176.9062 52 R 4.6749 9.0659 124.1913 54.2517 34.9029 174.6924 53 K 4.3887 8.5027 121.7736 56.1707 32.9405 177.0763 54 F 4.9084 8.3612 122.9336 56.5525 40.1198 176.1202 55 A 3.9663 8.6966 125.4151 55.2622 18.3078 177.1373 56 Y 4.8791 7.4716 110.0912 56.3875 42.2166 174.3363 57 E 4.5893 8.8647 120.1669 56.7194 30.2793 176.4977 58 I 4.4758 8.6006 122.8421 60.3070 39.2903 176.1216 59 K 3.9163 9.4847 125.7235 57.5447 29.4428 176.2935 60 K 4.0693 8.1406 113.3110 56.6454 30.0158 175.9389 61 F 4.9997 8.1392 118.6004 56.4573 40.7480 175.9104 62 N 5.2890 8.7419 118.8840 53.5150 40.0772 173.8759 63 E 3.9297 7.7155 115.3699 55.2887 32.8119 173.8930 64 G 4.0728 8.2715 106.0458 45.7790 0.0000 171.7441 65 D 5.3139 8.9976 120.9012 52.9803 42.6360 174.8022 66 Y 4.7290 9.0676 124.8565 57.5503 39.8603 175.0493 67 T 5.0404 8.2750 119.0284 61.7327 73.2853 172.9703 68 V 4.8261 8.7347 124.6469 61.1051 34.8939 174.1262 69 I 5.0666 8.8378 127.9276 59.8085 40.4920 173.8374 70 Y 5.2089 9.3237 125.4431 56.4607 40.0075 174.9493 71 F 5.6769 9.1071 118.5796 55.5466 42.4291 173.2278 72 R 5.3364 9.1850 115.3748 54.9803 32.7391 174.2372 73 C 5.0000 8.9311 115.4003 57.8219 33.3609 173.7730 74 D 4.5830 8.9524 116.8838 53.5984 39.2978 177.2723 75 G 4.0037 8.2764 107.6768 46.2443 0.0000 174.2140 76 Q 4.4037 8.6093 118.5030 56.4546 29.6503 176.0437 77 N 5.2788 7.6376 114.7634 51.4938 40.0290 176.5148 78 L 3.9849 8.0453 121.3934 57.5882 41.2512 178.6760 79 Q 4.0739 8.1004 117.1989 59.0206 28.4176 178.3965 80 E 3.8696 8.0143 120.9953 59.2085 29.4469 179.0218 81 L 3.5383 7.6013 119.8461 57.8348 42.1349 178.3543 82 E 3.9159 8.0275 118.7684 59.6079 29.3329 178.4857 83 N 4.2765 8.4006 115.4871 55.9405 38.9086 176.8466 84 F 4.0546 7.7795 121.6754 61.5222 39.4314 176.7172 85 Y 3.6786 7.2260 116.0593 61.0358 37.1837 178.9547 86 R 4.1104 7.5939 117.6073 58.5952 30.1924 178.4167 87 V 4.3441 7.0178 108.8187 60.4251 33.1272 176.4893 88 T 4.2933 7.2160 117.9026 60.4108 68.1103 172.8045 89 P 4.4214 0.0000 0.0000 65.0652 31.9675 178.5777 90 E 3.9911 8.2080 118.6535 58.7705 29.5833 176.3173 91 I 4.6207 7.6087 120.2792 60.3733 36.8375 175.6491 92 I 4.2344 8.3777 119.8266 61.9786 38.4874 175.9127 93 R 4.6791 7.6142 120.6711 55.0038 33.2776 173.3661 94 W 5.7307 7.8660 121.1961 55.5721 31.6756 173.6120 95 Q 4.4835 9.1779 117.3249 55.3903 31.6718 173.4254 96 T 5.1366 8.0309 117.8801 61.9400 72.1034 173.2571 97 F 5.1574 9.4811 124.5135 55.4983 43.4120 174.1407 98 R 3.6953 8.9535 123.6889 56.1994 30.6455 177.3773 99 R 4.3340 8.3756 127.9195 54.6002 28.2960 176.8724 100 F 4.0669 8.2729 121.9721 60.4635 39.3637 176.5489 101 D 4.4161 8.1998 118.2387 56.6287 39.1716 178.6381 102 L 4.0071 7.8373 119.9278 57.3260 41.7242 179.0388 103 E 3.9312 8.0823 118.6112 59.2650 29.3638 179.2979 104 K 3.9417 8.2071 119.6121 59.3586 32.2642 178.6625 105 K 3.9017 8.1219 119.8556 59.5831 32.0798 178.6368 106 E 3.9589 8.2531 118.7504 59.5062 29.4116 179.4117 107 R 3.9208 8.0349 118.0949 59.1245 29.9065 179.0474 108 K 3.9047 8.2993 119.1470 59.4627 32.0284 178.6370 109 A 4.0810 8.1763 120.1143 55.4864 18.3662 179.4030 110 Q 4.0093 7.9363 115.3976 58.7107 28.8300 176.7966 111 R 4.5617 7.7149 122.1929 56.8196 31.6521 174.5730 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 5 K 8.30 4.33 0.00 1.79 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 6 E 8.43 4.43 0.00 2.16 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 2.28 2.49 0.00 7 R 9.64 4.59 0.00 2.05 1.57 0.00 3.21 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 8 I 8.40 4.85 1.68 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 1.18 0.70 0.87 0.00 0.00 9 Y 8.88 5.08 0.00 1.43 2.31 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 10 E 9.32 5.02 0.00 1.70 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 2.52 2.46 0.00 11 S 9.16 5.24 0.00 4.27 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 12 M 9.31 5.25 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.46 0.00 13 F 8.81 5.46 0.00 2.98 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 14 I 8.86 4.83 1.75 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.58 0.94 0.00 0.00 15 I 8.54 4.94 1.91 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.98 0.00 0.00 16 A 8.79 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.29 0.00 2.11 2.05 0.00 2.20 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.96 0.00 18 N 7.59 4.65 0.00 2.90 3.05 0.00 0.00 5.99 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 19 V 7.22 4.01 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 0.83 0.00 0.00 0.94 0.00 0.00 20 P 0.00 4.34 0.00 2.20 1.98 0.00 3.81 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 2.27 2.17 0.00 21 E 8.75 3.94 0.00 2.03 1.95 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 2.39 2.41 0.00 22 E 8.15 3.99 0.00 2.03 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 2.41 2.35 0.00 23 E 8.14 4.02 0.00 2.19 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 2.41 2.41 0.00 24 R 8.34 3.97 0.00 2.03 2.03 0.00 3.14 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.01 0.00 25 E 8.54 4.05 0.00 2.13 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 2.57 2.52 0.00 26 N 8.38 4.37 0.00 2.93 2.88 0.00 0.00 7.02 6.35 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 27 L 8.28 4.06 0.00 1.98 1.87 0.99 1.07 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 28 V 7.96 3.86 2.37 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 1.18 0.00 0.00 1.19 0.00 0.00 29 E 8.27 3.98 0.00 2.20 1.95 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 2.56 2.50 0.00 30 R 7.96 3.72 0.00 1.92 1.66 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 31 V 7.65 2.80 1.84 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 0.55 0.00 0.00 0.34 0.00 0.00 32 K 7.88 3.74 0.00 1.94 1.79 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.59 7.81 33 K 7.91 3.84 0.00 1.72 1.70 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.53 7.81 34 I 7.52 3.39 1.38 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.36 0.53 0.00 0.00 35 I 7.32 3.26 1.62 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.10 0.17 0.00 0.00 36 E 8.01 4.06 0.00 1.89 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 2.27 2.22 0.00 37 E 8.19 4.16 0.00 1.90 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 2.22 2.33 0.00 38 R 7.53 4.34 0.00 1.76 1.97 0.00 3.26 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 39 V 7.54 3.66 2.00 0.00 0.00 0.00 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 0.75 0.00 0.00 40 K 7.22 4.08 0.00 1.93 1.85 0.00 1.81 0.00 0.00 0.61 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.29 7.81 41 G 8.23 4.24 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 0.00 42 K 8.94 4.96 0.00 1.96 1.76 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.27 7.81 43 I 8.45 4.53 1.91 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 1.37 0.64 1.07 0.00 0.00 44 D 9.30 4.76 0.00 2.79 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 45 K 7.74 4.48 0.00 1.85 1.85 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.52 1.45 7.81 46 V 8.70 4.87 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 0.97 0.00 0.00 1.02 0.00 0.00 47 E 9.48 4.56 0.00 2.04 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 2.36 2.54 0.00 48 R 8.59 4.59 0.00 1.72 1.93 0.00 3.37 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 49 M 8.96 4.03 0.00 1.85 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 50 G 8.10 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 51 M 8.36 4.69 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 52 R 9.07 4.67 0.00 1.48 1.49 0.00 2.65 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.55 0.00 53 K 8.50 4.39 0.00 1.58 1.66 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.69 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.36 7.81 54 F 8.36 4.91 0.00 3.16 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 55 A 8.70 3.97 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 56 Y 7.47 4.88 0.00 2.96 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 57 E 8.86 4.59 0.00 2.10 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 2.68 2.44 0.00 58 I 8.60 4.48 1.42 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.14 0.74 0.00 0.00 59 K 9.48 3.92 0.00 2.14 1.98 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.49 7.81 60 K 8.14 4.07 0.00 1.52 1.74 0.00 1.66 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.29 7.81 61 F 8.14 5.00 0.00 3.47 3.18 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 62 N 8.74 5.29 0.00 2.67 2.86 0.00 0.00 6.45 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 63 E 7.72 3.93 0.00 1.77 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 2.10 2.19 0.00 64 G 8.27 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 0.00 0.00 0.00 65 D 9.00 5.31 0.00 2.70 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 66 Y 9.07 4.73 0.00 2.82 2.79 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 67 T 8.28 5.04 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 1.19 0.00 0.00 68 V 8.73 4.83 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 0.59 0.00 0.00 1.00 0.00 0.00 69 I 8.84 5.07 2.09 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 1.39 0.88 1.07 0.00 0.00 70 Y 9.32 5.21 0.00 2.96 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 71 F 9.11 5.68 0.00 3.20 3.11 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 72 R 9.19 5.34 0.00 2.11 2.06 0.00 2.86 0.00 0.00 3.59 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 73 C 8.93 5.00 0.00 3.09 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 74 D 8.95 4.58 0.00 2.83 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 75 G 8.28 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 76 Q 8.61 4.40 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 7.35 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 77 N 7.64 5.28 0.00 2.83 2.78 0.00 0.00 7.63 6.74 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 78 L 8.05 3.98 0.00 1.63 1.64 0.77 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.10 4.07 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 80 E 8.01 3.87 0.00 1.98 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 2.34 2.49 0.00 81 L 7.60 3.54 0.00 1.47 1.63 0.16 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.03 3.92 0.00 2.20 2.10 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 2.50 2.58 0.00 83 N 8.40 4.28 0.00 2.69 2.81 0.00 0.00 7.02 7.37 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 84 F 7.78 4.05 0.00 2.87 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 85 Y 7.23 3.68 0.00 1.67 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 86 R 7.59 4.11 0.00 1.90 2.04 0.00 3.35 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 87 V 7.02 4.34 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 0.72 0.00 0.00 0.75 0.00 0.00 88 T 7.22 4.29 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 1.06 0.00 0.00 89 P 0.00 4.42 0.00 2.21 2.21 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 90 E 8.21 3.99 0.00 2.11 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 2.41 2.41 0.00 91 I 7.61 4.62 2.04 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 1.58 0.58 1.05 0.00 0.00 92 I 8.38 4.23 2.00 0.00 0.00 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 1.36 0.61 1.09 0.00 0.00 93 R 7.61 4.68 0.00 1.68 1.57 0.00 2.95 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 94 W 7.87 5.73 0.00 2.68 2.38 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 95 Q 9.18 4.48 0.00 1.68 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 96 T 8.03 5.14 4.34 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 1.42 0.00 0.00 97 F 9.48 5.16 0.00 2.92 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 98 R 8.95 3.70 0.00 1.56 1.42 0.00 2.72 0.00 0.00 2.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.59 0.00 99 R 8.38 4.33 0.00 1.71 1.94 0.00 3.41 0.00 0.00 3.49 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 100 F 8.27 4.07 0.00 3.02 3.07 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 0.00 101 D 8.20 4.42 0.00 2.88 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 0.00 102 L 7.84 4.01 0.00 1.80 1.72 0.91 0.93 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 0.00 103 E 8.08 3.93 0.00 2.15 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 0.00 2.21 2.31 0.00 104 K 8.21 3.94 0.00 1.95 2.00 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 105 K 8.12 3.90 0.00 1.94 1.96 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 106 E 8.25 3.96 0.00 2.20 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 0.00 2.32 2.50 0.00 107 R 8.03 3.92 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 108 K 8.30 3.90 0.00 2.02 2.00 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.33 7.81 109 A 8.18 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 4.01 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 111 R 7.71 4.56 0.00 1.87 2.12 0.00 3.28 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00