NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 5.1945 8.2032 119.7636 55.6791 31.3699 173.7928 2 L 3.9093 8.9687 126.6476 57.7798 41.4009 174.8577 3 V 3.9559 8.8335 118.9647 65.7824 31.9123 177.4123 4 Q 4.1300 9.0393 118.9510 57.9364 28.5375 178.0872 5 F 4.4499 8.0950 121.6947 61.3730 39.5902 176.4648 6 N 4.2887 8.9650 117.2901 56.7504 38.5152 177.0558 7 G 3.7845 7.7152 106.2331 47.6335 0.0000 175.5385 8 M 4.2470 7.8898 121.1678 58.5390 32.1657 178.8588 9 I 3.5182 7.6382 120.0096 64.1291 37.1883 178.2383 10 R 4.3773 8.0215 117.8098 57.8827 29.4218 177.7481 11 C 4.3397 8.1552 119.4552 59.1700 43.8087 174.7730 12 T 3.9870 7.6851 107.7235 62.1306 70.3730 175.5600 13 I 4.5801 7.5053 122.4181 59.5649 39.5612 173.0520 14 P 4.9587 0.0000 0.0000 64.4996 31.6274 177.5795 15 G 3.9892 7.9614 104.6256 45.2834 0.0000 173.1680 16 S 4.4993 7.6068 113.7235 57.2563 63.6408 174.4351 17 I 4.4161 8.0673 126.6255 58.2551 37.0191 174.2865 18 P 4.5192 0.0000 0.0000 65.2140 31.7274 179.0418 19 W 4.4126 8.3511 113.6691 58.4812 28.1782 176.4709 20 W 4.5381 7.0800 127.0877 59.1665 31.2025 176.4727 21 D 4.0731 8.1601 117.2832 57.2235 40.3847 178.6131 22 Y 4.7814 7.4879 115.2624 57.9894 38.2173 176.5441 23 S 4.8109 7.8390 114.0599 58.6577 65.9094 173.4562 24 D 5.0317 7.5482 119.8919 52.8668 41.5871 172.3391 25 Y 4.5795 8.5691 122.1097 56.1665 42.4753 175.0643 26 G 3.5406 7.8153 116.3060 47.0700 0.0000 173.4079 27 C 4.5275 9.0843 117.2682 57.5252 41.1719 173.9111 28 Y 4.2360 7.9331 115.3753 59.6724 40.3095 174.1085 29 C 4.1290 7.8201 122.4401 59.3147 40.9441 173.8496 30 G 4.4023 8.4786 114.9066 45.4901 0.0000 174.4863 31 S 3.8793 8.7274 122.4711 60.3322 61.9619 174.5046 32 G 3.9359 10.4143 113.2793 45.6513 0.0000 173.3606 33 G 3.9518 7.7598 103.1066 44.6099 0.0000 172.5687 34 S 4.4070 7.7169 117.0969 58.3188 66.2641 177.1053 35 G 3.8097 8.6897 110.4275 44.9910 0.0000 172.0683 36 T 4.6787 8.0884 108.1590 58.9830 70.5395 172.7468 37 P 4.7140 0.0000 0.0000 63.1927 31.7996 176.7522 38 V 3.8410 9.9753 122.4785 64.1047 31.9278 174.9231 39 D 4.5115 7.3474 116.5678 52.6320 41.8645 175.7715 40 E 3.9413 8.6929 117.6921 59.9949 29.2411 179.0719 41 L 3.8486 7.9321 119.7443 58.0219 42.0280 178.3306 42 D 4.5029 8.4580 118.4446 57.3448 41.1718 178.4114 43 R 3.8896 7.9313 116.3025 58.9441 29.5142 178.0412 44 C 4.2222 7.9475 117.9460 60.3946 39.6301 175.3457 45 C 4.4209 8.1317 117.9970 59.5927 39.6059 175.8885 46 Q 3.1371 7.7863 120.6821 58.8582 28.8640 178.1158 47 V 3.6173 8.3493 120.1084 66.3768 31.5415 177.0397 48 H 3.8938 8.2401 117.8036 59.8355 29.6892 176.7085 49 D 4.2933 8.4496 120.4667 57.3179 40.6299 178.3663 50 N 4.5337 8.2597 116.7440 55.5559 38.5082 176.7783 51 C 4.2946 7.9004 119.9992 60.0174 43.7896 174.7212 52 Y 4.0407 7.9186 116.9853 61.5256 37.5218 178.9840 53 T 4.7533 7.9207 117.5475 66.4380 68.5996 177.0363 54 Q 4.0377 8.1998 119.6317 58.6893 28.8050 178.5656 55 A 3.7297 8.7599 122.3170 54.6405 18.5644 178.7866 56 Q 4.4721 7.7842 114.9433 57.2413 28.7531 177.4777 57 Q 4.2385 7.8570 119.0861 56.1922 29.2844 175.9677 58 L 4.1971 6.7201 119.6859 53.4712 42.6169 176.6049 59 T 3.8290 8.2286 110.6795 62.4409 68.9322 174.2222 60 E 3.6311 8.7370 126.9238 56.8677 27.6388 173.4364 61 C 4.4934 7.4420 117.6829 54.4521 42.0736 172.6684 *67 S 4.8437 8.7229 121.1307 57.3247 61.8442 171.6194 68 P 3.8068 0.0000 0.0000 65.8767 31.0747 177.7495 69 Y 4.1758 7.8232 115.8493 60.7984 37.8572 177.7482 70 S 4.2215 7.4999 112.5398 58.3079 63.9651 174.2547 71 K 4.0219 7.7166 121.5459 56.2280 31.4932 176.6287 72 R 4.3111 8.3532 126.1042 56.2289 30.7329 175.5027 73 Y 4.9513 8.0660 118.2579 55.5958 41.6839 173.9070 74 S 5.0990 8.6962 113.8468 56.9694 64.3839 172.4846 75 Y 5.4214 8.4087 123.6926 56.1458 41.5959 172.7838 76 D 4.6462 9.3411 118.0879 52.9376 45.5332 173.2601 77 C 5.2419 8.3689 121.4645 55.0059 46.4021 174.4462 78 S 4.4514 7.7643 122.8191 57.3739 63.2868 172.8599 79 E 3.5311 8.3063 124.4594 56.6836 25.9351 176.3538 80 G 3.9808 8.2781 112.7913 45.9349 0.0000 171.7737 81 T 4.3249 7.6747 116.6310 62.0474 68.1104 173.1879 82 L 4.9094 8.1871 126.6981 53.9610 43.2369 176.5958 83 T 4.6322 8.6173 117.3758 60.8653 70.8544 172.2023 84 C 4.9545 8.9132 126.1736 56.6940 39.8461 173.3927 85 K 4.6384 8.5735 121.1687 55.0015 33.9773 177.4135 86 A 3.9347 8.6666 122.9119 53.4950 18.4149 177.8584 87 D 4.8433 7.8362 114.2616 53.6153 42.0868 176.2918 88 N 4.3634 7.4821 118.7677 53.2944 39.1143 176.0071 89 D 4.6699 8.5281 123.7111 53.4938 41.4536 176.4122 90 E 4.0372 8.6635 117.3034 59.8715 29.4967 179.5307 91 C 4.3750 8.1718 117.8637 59.1147 43.5156 175.2408 92 A 4.0498 8.0004 121.9632 54.7437 18.1231 179.3461 93 A 3.8845 8.1728 119.4375 55.1383 18.4403 179.5681 94 F 3.8982 8.1985 119.1489 61.5597 39.5517 177.5362 95 V 3.4403 7.7936 111.8966 64.6620 31.3660 177.7250 96 C 2.8521 7.8138 117.8829 59.1078 43.5546 175.0341 97 D 4.0232 7.7547 119.5440 57.5345 40.2442 177.3224 98 C 3.8452 7.7063 116.9658 60.4866 38.7585 176.2190 99 D 3.9423 7.8096 119.5929 56.5445 40.3501 178.9977 100 R 3.7627 7.5605 119.6937 59.5442 29.7400 178.9713 101 V 3.6192 7.9050 111.9501 63.6874 31.3447 178.6052 102 A 3.8394 7.5157 119.7640 54.9239 18.3697 179.1998 103 A 3.2540 7.6067 119.1950 55.4408 17.8257 179.9861 104 I 3.6132 7.4370 117.5920 64.5422 37.2349 177.9061 105 C 4.3503 7.7424 118.8104 59.5844 43.2296 175.6274 106 F 4.1444 8.4090 118.9404 60.5303 38.5013 177.1528 107 A 4.2310 7.6899 119.7186 55.0297 18.2173 179.5236 108 G 3.6578 7.6157 102.2876 46.1464 0.0000 174.3352 109 A 4.3400 7.3591 123.5353 50.5608 19.3019 175.5161 110 P 4.4051 0.0000 0.0000 63.0204 32.0177 176.3142 111 Y 4.4569 8.2373 122.5880 56.4482 37.6569 174.4264 112 N 4.6551 8.1744 123.7823 50.7313 37.1766 176.0236 113 K 3.1319 8.0319 121.4073 59.3838 32.8587 178.2404 114 E 4.0880 7.9253 116.9123 57.5822 29.8397 176.5758 115 N 4.5305 8.5147 117.6987 52.6698 38.8888 173.8058 116 I 4.1574 7.2595 119.3153 61.1850 38.7329 175.5778 117 N 4.2318 9.1364 124.8351 53.2375 37.4955 173.0020 118 I 3.8642 6.9743 110.9238 59.9171 39.3612 175.7079 119 D 4.4288 8.2962 120.1114 53.8037 40.4783 176.6222 120 T 3.7370 8.5141 117.5273 65.0250 68.9775 176.3074 121 T 3.7336 8.1322 118.5389 65.1334 67.3820 175.2238 *122 T 4.3127 7.7416 111.3926 62.9839 69.2316 178.5993 123 R 4.0783 7.6067 120.0739 58.1311 30.3651 176.4822 124 C 4.5333 7.9083 119.4230 56.9076 41.5158 173.5029 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 H 8.20 5.19 0.00 3.10 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.97 3.91 0.00 2.10 2.03 1.25 0.90 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 3 V 8.83 3.96 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 1.06 0.00 0.00 0.90 0.00 0.00 4 Q 9.04 4.13 0.00 1.84 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 5 F 8.09 4.45 0.00 3.23 3.29 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 0.00 0.00 0.00 0.00 6 N 8.96 4.29 0.00 3.06 3.09 0.00 0.00 7.15 7.94 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 7 G 7.72 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 8 M 7.89 4.25 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.12 0.00 9 I 7.64 3.52 1.66 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.48 0.69 0.00 0.00 10 R 8.02 4.38 0.00 2.07 2.00 0.00 3.20 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 11 C 8.16 4.34 0.00 3.21 3.31 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 12 T 7.69 3.99 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 13 I 7.51 4.58 1.99 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 1.29 0.70 0.92 0.00 0.00 14 P 0.00 4.96 0.00 2.04 2.13 0.00 3.71 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 15 G 7.96 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 16 S 7.61 4.50 0.00 3.89 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 0.00 17 I 8.07 4.42 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.29 0.00 0.00 18 P 0.00 4.52 0.00 2.50 2.18 0.00 3.83 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 2.33 2.18 0.00 19 W 8.35 4.41 0.00 3.65 3.42 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 20 W 7.08 4.54 0.00 1.78 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 0.00 0.00 0.00 0.00 21 D 8.16 4.07 0.00 2.06 1.67 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 22 Y 7.49 4.78 0.00 3.07 2.87 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 23 S 7.84 4.81 0.00 4.09 4.40 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.55 5.03 0.00 2.57 2.33 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 25 Y 8.57 4.58 0.00 2.93 2.69 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 0.00 0.00 0.00 0.00 26 G 7.82 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 27 C 9.08 4.53 0.00 3.14 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 28 Y 7.93 4.24 0.00 3.29 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 29 C 7.82 4.13 0.00 3.52 3.25 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 30 G 8.48 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.73 3.88 0.00 3.88 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 32 G 10.41 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 33 G 7.76 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 34 S 7.72 4.41 0.00 3.94 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 35 G 8.69 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 0.00 0.00 0.00 36 T 8.09 4.68 4.29 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 0.00 0.00 0.00 1.25 0.00 0.00 37 P 0.00 4.71 0.00 2.10 2.07 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 38 V 9.98 3.84 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 0.91 0.00 0.00 39 D 7.35 4.51 0.00 2.85 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 0.00 40 E 8.69 3.94 0.00 2.02 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 2.42 2.33 0.00 41 L 7.93 3.85 0.00 1.60 1.47 0.11 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.46 4.50 0.00 3.27 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 43 R 7.93 3.89 0.00 1.98 2.11 0.00 2.82 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 44 C 7.95 4.22 0.00 3.33 3.56 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 45 C 8.13 4.42 0.00 3.29 3.35 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 0.00 46 Q 7.79 3.14 0.00 1.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.93 0.00 0.00 0.00 0.00 0.00 1.95 1.16 0.00 47 V 8.35 3.62 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 0.89 0.00 0.00 0.97 0.00 0.00 48 H 8.24 3.89 0.00 3.20 3.43 0.00 5.64 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 49 D 8.45 4.29 0.00 3.06 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.26 4.53 0.00 2.89 2.88 0.00 0.00 6.58 7.29 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 51 C 7.90 4.29 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 52 Y 7.92 4.04 0.00 2.76 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 53 T 7.92 4.75 4.52 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 1.27 0.00 0.00 54 Q 8.20 4.04 0.00 2.50 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 55 A 8.76 3.73 1.52 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 0.00 0.00 56 Q 7.78 4.47 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.79 0.00 57 Q 7.86 4.24 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 58 L 6.72 4.20 0.00 1.67 1.49 0.55 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.23 3.83 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 1.18 0.00 0.00 60 E 8.74 3.63 0.00 2.02 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 2.21 2.33 0.00 61 C 7.44 4.49 0.00 2.89 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 *67 S 8.72 4.84 0.00 3.97 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 68 P 0.00 3.81 0.00 0.49 1.37 0.00 3.85 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.80 0.00 69 Y 7.82 4.18 0.00 3.08 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 70 S 7.50 4.22 0.00 3.81 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 71 K 7.72 4.02 0.00 1.82 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 72 R 8.35 4.31 0.00 1.84 1.79 0.00 3.22 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 73 Y 8.07 4.95 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.70 5.10 0.00 4.05 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 75 Y 8.41 5.42 0.00 3.17 3.06 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 76 D 9.34 4.65 0.00 2.69 2.46 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 77 C 8.37 5.24 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 78 S 7.76 4.45 0.00 3.83 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 79 E 8.31 3.53 0.00 2.22 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 2.28 2.29 0.00 80 G 8.28 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 81 T 7.67 4.32 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 82 L 8.19 4.91 0.00 1.54 1.61 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.62 4.63 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 84 C 8.91 4.95 0.00 2.85 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 85 K 8.57 4.64 0.00 1.80 1.74 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.43 7.81 86 A 8.67 3.93 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 87 D 7.84 4.84 0.00 2.67 2.70 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 88 N 7.48 4.36 0.00 3.10 2.90 0.00 0.00 6.94 7.94 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 89 D 8.53 4.67 0.00 2.92 2.87 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 90 E 8.66 4.04 0.00 1.99 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 2.40 2.29 0.00 91 C 8.17 4.38 0.00 2.98 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 92 A 8.00 4.05 1.52 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 0.00 0.00 93 A 8.17 3.88 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 94 F 8.20 3.90 0.00 3.28 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 95 V 7.79 3.44 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 0.72 0.00 0.00 1.17 0.00 0.00 96 C 7.81 2.85 0.00 2.40 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 97 D 7.75 4.02 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 98 C 7.71 3.85 0.00 3.06 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 99 D 7.81 3.94 0.00 2.66 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 0.00 100 R 7.56 3.76 0.00 1.91 1.92 0.00 3.05 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 101 V 7.90 3.62 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 0.77 0.00 0.00 0.92 0.00 0.00 102 A 7.52 3.84 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 0.00 103 A 7.61 3.25 1.20 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 0.00 0.00 0.00 104 I 7.44 3.61 1.81 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 1.64 1.24 0.88 0.00 0.00 105 C 7.74 4.35 0.00 3.25 3.38 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 0.00 106 F 8.41 4.14 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.69 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 0.00 108 G 7.62 3.66 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 0.00 0.00 0.00 109 A 7.36 4.34 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 0.00 110 P 0.00 4.41 0.00 2.38 2.10 0.00 3.78 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 2.02 1.97 0.00 111 Y 8.24 4.46 0.00 2.87 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 0.00 112 N 8.17 4.66 0.00 2.77 2.70 0.00 0.00 6.71 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 0.00 113 K 8.03 3.13 0.00 1.81 1.98 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.46 7.81 114 E 7.93 4.09 0.00 1.88 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 2.25 2.26 0.00 115 N 8.51 4.53 0.00 2.10 1.89 0.00 0.00 6.86 5.12 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 0.00 116 I 7.26 4.16 1.69 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 1.18 0.29 0.74 0.00 0.00 117 N 9.14 4.23 0.00 2.70 2.67 0.00 0.00 7.19 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 0.00 118 I 6.97 3.86 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.44 0.70 0.00 0.00 119 D 8.30 4.43 0.00 2.73 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 0.00 120 T 8.51 3.74 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 1.14 0.00 0.00 121 T 8.13 3.73 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 1.22 0.00 0.00 *122 T 7.74 4.31 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 1.21 0.00 0.00 123 R 7.61 4.08 0.00 1.87 1.98 0.00 3.02 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 124 C 7.91 4.53 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.