NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.4905 8.0632 120.0935 55.6695 34.6076 173.4693 2 I 4.6880 8.7274 120.7698 58.7318 40.4161 173.0708 3 L 5.0174 9.6659 130.6963 53.4812 44.1508 174.7199 4 L 4.8537 8.5216 127.3845 54.2296 42.7559 176.7685 5 D 4.6971 8.5526 124.2422 53.7113 43.1882 177.3545 6 T 4.0177 8.7578 116.6470 66.8163 68.2883 176.5036 7 N 4.4654 8.2940 118.2847 55.9583 36.8872 177.2660 8 V 3.8991 7.8267 119.3842 66.0445 32.0255 177.4567 9 I 3.9886 7.3409 114.4808 63.1598 38.2364 177.4197 10 S 4.3591 8.0275 115.8323 61.4754 62.6801 175.4148 11 E 3.9770 8.0296 122.2494 59.4640 29.0807 177.2052 12 P 4.2333 0.0000 0.0000 65.8283 31.4987 178.0732 13 L 4.2552 7.7426 115.4081 55.6953 41.8358 177.3713 14 R 4.2643 7.5849 118.2905 55.0826 30.8840 175.2068 15 P 4.4177 0.0000 0.0000 65.7079 31.5345 177.8441 16 Q 4.6284 7.6004 115.9751 52.2704 28.5705 173.2139 17 P 4.2024 0.0000 0.0000 62.9524 32.2291 177.1608 18 N 4.4656 8.8301 118.6361 53.2963 39.3496 174.9489 19 E 3.7904 8.9115 128.7769 59.8700 29.6168 178.3447 20 R 3.8461 8.0137 117.5107 59.7630 29.9440 178.3695 21 V 3.3317 8.0758 117.8245 65.7875 31.3948 177.6946 22 V 3.5420 7.7203 117.6391 66.2266 31.0832 177.5730 23 A 3.9822 7.8663 118.7374 55.1105 18.3843 178.9707 24 W 4.2935 8.1524 126.4254 60.8627 30.6012 177.9001 25 L 3.5771 8.3685 119.0037 58.0933 40.8628 179.3993 26 D 4.3855 8.1926 117.9076 56.2943 40.6542 177.5139 27 S 4.6128 7.5442 114.1364 57.4084 64.1228 173.5709 28 L 4.4553 6.5925 120.8348 53.5958 44.3567 176.7014 29 I 4.0867 7.6919 121.1533 60.2026 37.0027 177.3194 30 L 3.7651 7.8705 128.0628 57.9821 42.5606 178.8894 31 E 3.9145 7.9500 114.8405 57.8164 29.5644 176.8196 32 D 4.7383 8.8766 119.6875 54.4255 42.6193 175.7418 33 V 4.7656 7.4553 119.0571 62.4953 32.8327 174.5919 34 Y 5.2453 9.4909 124.0057 56.6422 42.7786 173.8803 35 L 4.9796 8.8018 118.2636 53.6835 46.6460 176.1277 36 S 4.7849 8.8049 117.0932 57.3737 63.6134 174.5918 37 A 4.0494 9.7812 129.8654 55.7141 17.8517 180.1561 38 I 3.6390 7.6505 118.1351 65.0320 37.1821 178.4171 39 T 3.8854 8.0458 115.7825 67.0046 68.3150 176.5732 40 V 3.5177 7.9699 119.6571 65.6857 31.5217 177.6931 41 A 3.9713 8.3356 120.9950 55.4081 18.1772 179.0542 42 E 3.8995 8.3175 116.7379 60.1341 29.6857 179.4060 43 M 3.9887 8.2366 118.3515 58.9591 32.0306 179.2954 44 R 3.9802 8.0656 117.7752 59.0602 30.1792 178.9401 45 L 4.0676 8.1549 120.5020 57.9458 41.8762 179.1337 46 G 3.6611 8.6244 105.4226 47.6564 0.0000 175.6980 47 V 3.7165 7.7399 120.0981 65.9294 31.4762 177.8379 48 A 4.0196 8.0136 119.3430 55.3155 18.2328 178.9028 49 L 4.2143 7.7259 114.5621 55.0695 41.9715 177.2972 50 L 4.3013 7.2579 119.4940 54.0639 42.3899 176.5088 51 L 4.3227 8.0450 119.7655 54.1005 42.3899 177.0955 52 N 4.4026 8.7940 119.9858 52.3724 39.3265 175.2685 53 G 3.9412 8.2997 110.0107 44.6679 0.0000 172.7560 54 K 3.8143 8.1789 117.9002 59.6538 31.7658 178.7385 55 K 3.7799 8.1357 118.8463 59.7680 31.8680 177.8383 56 K 3.8171 8.1113 118.7542 59.8196 32.0270 177.9160 57 N 4.3034 7.9804 115.9511 56.4728 38.4560 177.2304 58 V 3.5399 7.9959 119.4985 66.2488 31.5414 177.5746 59 L 3.9160 8.2083 120.0449 58.4908 41.7235 178.5144 60 H 4.1650 8.4216 118.1721 59.2091 29.7789 176.6576 61 E 3.8187 8.1249 120.9469 59.5590 29.4375 178.6849 62 R 3.8329 8.1959 118.1332 59.8067 30.0214 178.9400 63 M 4.0530 8.2494 118.2499 58.5418 31.8100 178.5659 64 E 4.0885 8.1106 117.0224 58.6161 30.0176 178.3314 65 Q 4.3420 8.7973 117.2355 56.6804 29.2135 175.7367 66 S 4.5642 7.7477 112.2830 59.7550 65.5899 175.7985 67 I 3.8385 8.1253 121.9452 62.3798 36.4150 178.4874 68 L 3.9816 6.7501 122.8085 58.1693 42.3828 177.5788 69 P 4.4437 0.0000 0.0000 65.5160 30.9985 178.4042 70 L 4.0603 8.5193 117.0182 56.4812 41.6671 178.2265 71 F 4.5431 8.6608 116.5903 55.7050 39.5643 175.0375 72 A 4.1175 7.1701 122.0127 53.8861 18.5224 179.1900 73 G 4.0521 8.9166 108.1034 46.0944 0.0000 174.4053 74 R 4.7167 8.5155 117.9814 55.8956 32.0995 175.1576 75 I 4.5794 7.8788 120.7946 59.9624 37.6350 175.4079 76 L 4.4274 9.5348 130.2126 53.8634 42.5539 175.5206 77 P 4.5137 0.0000 0.0000 62.3256 33.1097 176.3367 78 F 4.4726 8.6873 123.9709 56.6593 38.0192 174.7200 79 D 4.6280 7.6321 125.6778 50.7252 41.7189 176.9020 80 E 3.9233 8.7347 119.5131 59.0953 29.7874 177.2638 81 P 4.1450 0.0000 0.0000 65.5659 31.7060 178.6032 82 V 3.4626 7.6717 116.7382 66.0290 31.0215 177.7907 83 A 3.9623 7.2858 119.7987 54.9184 18.2632 179.3087 84 A 3.9512 7.9635 119.1327 55.4450 18.5398 179.4816 85 I 3.6228 7.8665 117.5419 65.0732 37.2133 177.2421 86 Y 4.2290 8.4243 119.7869 61.3424 38.5968 178.2102 87 A 3.9158 8.6558 121.4894 55.2445 18.4692 179.4655 88 Q 4.4191 7.8511 116.8059 58.4625 28.7299 178.5218 89 I 3.7246 8.1967 122.1224 64.2512 37.1286 178.6628 90 R 3.8752 7.7591 119.1258 58.8891 30.0207 179.0912 91 S 4.0436 7.7154 113.6636 61.8696 62.7563 176.0178 92 Y 4.2018 7.8723 121.9403 59.9140 38.7207 177.7115 93 A 3.8484 7.4907 120.6110 54.7555 18.3214 179.4943 94 K 3.9294 7.8216 117.4661 59.3195 32.2143 177.9067 95 T 4.5358 7.3588 108.0457 61.8525 69.2284 174.9929 96 H 4.5694 7.7487 116.3131 56.2278 30.1952 173.7656 97 G 3.9248 8.0495 110.9661 45.8691 0.0000 174.1839 98 K 3.6884 7.8335 123.7508 55.9913 32.3554 176.1482 99 E 4.4535 8.4785 124.1460 55.0803 31.2243 175.4921 100 I 4.3309 7.8310 120.3805 59.1249 40.3155 176.0467 101 A 4.2398 8.1532 125.6668 51.2184 20.7244 177.7176 102 A 3.7174 8.4944 122.7239 55.5131 18.2752 179.8810 103 A 3.5360 7.5778 117.3477 55.6413 18.3578 179.5410 104 D 4.4257 7.9783 116.4172 57.2571 40.7115 179.2810 105 G 3.6603 8.2593 106.8453 47.9834 0.0000 175.1091 106 Y 4.8122 8.2762 119.8209 61.1518 37.8370 178.7448 107 I 3.8800 8.0667 119.9841 64.8153 37.4023 177.9435 108 A 4.2832 8.8878 121.3734 55.3259 18.2366 179.1244 109 A 4.0698 9.1484 119.3900 55.9186 18.0629 179.7641 110 T 3.8354 8.5866 113.8895 66.8801 68.6298 176.2012 111 A 4.0493 8.3069 122.5256 55.3398 18.3619 179.1840 112 K 3.7696 8.5611 118.0065 59.9615 31.9814 178.0672 113 Q 3.9598 7.7105 117.9163 59.9174 28.9280 178.0574 114 H 4.4398 7.5035 112.2355 54.6944 29.8689 175.6949 115 S 3.6440 8.1178 114.6729 59.9183 60.7068 169.4011 116 M 4.8817 8.1284 119.8832 53.8750 35.9438 176.5147 117 T 4.8326 8.1830 115.2809 62.1225 71.7427 173.9942 118 V 4.3474 8.8894 126.7792 62.0141 33.2144 174.5426 119 A 5.1756 8.8908 130.3494 50.8939 20.3364 175.3138 120 T 4.7918 8.3457 115.2860 61.4966 71.3392 174.3632 121 R 4.1389 9.2593 123.5682 56.9342 31.0843 176.2985 122 D 4.9120 7.8065 118.8967 53.1584 40.2210 177.2650 123 T 4.2315 7.7711 110.8937 63.8431 69.7727 177.4429 124 G 3.9573 7.6225 110.4089 49.0355 0.0000 174.8181 125 S 4.3299 7.8943 116.9510 59.8952 63.7415 176.6939 126 F 4.0410 7.6744 119.1625 60.7078 39.6397 178.3744 127 F 4.2868 8.7366 116.1058 59.7440 37.7145 177.2033 128 A 3.2149 7.0899 122.6508 53.5031 18.0350 177.6992 129 A 4.2320 7.5951 117.3809 51.8697 18.9913 176.8700 130 D 4.5186 7.9451 114.6170 55.4430 38.7407 174.0105 131 V 4.4821 7.7216 115.7809 60.4934 34.9824 174.3621 132 A 4.3134 8.5911 127.6008 52.3134 19.1790 176.8926 133 V 5.0278 8.4669 114.8830 59.7262 35.8905 175.1393 134 F 4.6407 8.8936 123.9776 57.1469 43.1420 172.5541 135 N 5.4794 8.1708 125.5273 50.7311 39.1490 173.6821 136 P 3.6388 0.0000 0.0000 64.2842 31.7023 177.7843 137 W 3.9588 8.4692 119.4345 59.6668 29.2012 176.2951 138 H 4.6984 7.5722 114.1000 55.0092 29.9405 173.2047 139 L 4.7578 8.0693 120.0842 53.5616 44.0946 175.2062 140 E 4.7914 8.3626 117.5456 55.3074 33.1449 175.5969 141 H 4.9455 8.3984 120.7996 55.9689 30.2488 172.8396 142 H 4.7450 8.7317 123.4621 56.3561 30.1219 174.9330 143 H 4.5538 8.5096 116.4623 56.2652 29.4102 173.8905 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 8.06 5.49 0.00 2.33 1.91 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 2 I 8.73 4.69 1.98 0.00 0.00 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 1.25 0.86 1.16 0.00 0.00 3 L 9.67 5.02 0.00 1.80 1.58 1.05 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.52 4.85 0.00 1.71 1.71 1.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.55 4.70 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 6 T 8.76 4.02 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 1.28 0.00 0.00 7 N 8.29 4.47 0.00 3.04 3.12 0.00 0.00 5.80 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 8 V 7.83 3.90 2.28 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 1.10 0.00 0.00 1.28 0.00 0.00 9 I 7.34 3.99 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 1.01 0.00 0.00 10 S 8.03 4.36 0.00 4.19 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 11 E 8.03 3.98 0.00 2.18 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 2.11 2.42 0.00 12 P 0.00 4.23 0.00 2.09 2.14 0.00 3.92 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 13 L 7.74 4.26 0.00 1.81 1.75 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.58 4.26 0.00 1.88 1.94 0.00 3.35 0.00 0.00 3.59 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 15 P 0.00 4.42 0.00 2.06 2.13 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 16 Q 7.60 4.63 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 17 P 0.00 4.20 0.00 2.17 2.39 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 18 N 8.83 4.47 0.00 2.95 2.48 0.00 0.00 6.87 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 19 E 8.91 3.79 0.00 2.10 1.93 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 2.39 2.46 0.00 20 R 8.01 3.85 0.00 1.87 1.96 0.00 3.39 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 21 V 8.08 3.33 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 0.68 0.00 0.00 -0.60 0.00 0.00 22 V 7.72 3.54 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 1.04 0.00 0.00 0.95 0.00 0.00 23 A 7.87 3.98 1.40 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 24 W 8.15 4.29 0.00 3.57 3.52 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 25 L 8.37 3.58 0.00 1.92 1.69 1.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.19 4.39 0.00 2.77 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 27 S 7.54 4.61 0.00 3.89 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 28 L 6.59 4.46 0.00 1.41 1.33 0.16 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.69 4.09 1.79 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 1.21 1.13 0.83 0.00 0.00 30 L 7.87 3.77 0.00 1.51 1.43 0.25 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.95 3.91 0.00 1.87 1.88 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 2.22 2.22 0.00 32 D 8.88 4.74 0.00 2.53 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 33 V 7.46 4.77 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 1.11 0.00 0.00 0.86 0.00 0.00 34 Y 9.49 5.25 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 35 L 8.80 4.98 0.00 1.50 1.41 0.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.80 4.78 0.00 3.97 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 37 A 9.78 4.05 1.35 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 0.00 0.00 38 I 7.65 3.64 1.97 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 1.58 0.94 1.01 0.00 0.00 39 T 8.05 3.89 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 1.23 0.00 0.00 40 V 7.97 3.52 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 1.00 0.00 0.00 0.93 0.00 0.00 41 A 8.34 3.97 1.40 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 42 E 8.32 3.90 0.00 2.22 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 0.00 2.36 2.57 0.00 43 M 8.24 3.99 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 44 R 8.07 3.98 0.00 2.14 1.99 0.00 3.13 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 45 L 8.15 4.07 0.00 1.77 1.83 0.92 0.88 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 46 G 8.62 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 47 V 7.74 3.72 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 1.03 0.00 0.00 1.03 0.00 0.00 48 A 8.01 4.02 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 49 L 7.73 4.21 0.00 1.65 1.73 0.92 1.06 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 50 L 7.26 4.30 0.00 1.71 1.62 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.05 4.32 0.00 1.64 1.59 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.79 4.40 0.00 2.69 2.76 0.00 0.00 6.82 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 53 G 8.30 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 54 K 8.18 3.81 0.00 1.78 1.90 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.47 7.81 55 K 8.14 3.78 0.00 1.82 1.84 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.55 7.81 56 K 8.11 3.82 0.00 1.96 1.98 0.00 1.91 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.55 7.81 57 N 7.98 4.30 0.00 3.03 2.88 0.00 0.00 6.73 7.16 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 58 V 8.00 3.54 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 1.09 0.00 0.00 1.02 0.00 0.00 59 L 8.21 3.92 0.00 1.88 1.84 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.42 4.16 0.00 3.37 3.52 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.12 3.82 0.00 2.09 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 0.00 2.30 2.35 0.00 62 R 8.20 3.83 0.00 2.04 2.01 0.00 3.36 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 63 M 8.25 4.05 0.00 2.03 2.37 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 64 E 8.11 4.09 0.00 1.84 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 2.35 2.35 0.00 65 Q 8.80 4.34 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 66 S 7.75 4.56 0.00 4.01 3.86 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 67 I 8.13 3.84 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.00 1.02 0.00 0.00 68 L 6.75 3.98 0.00 1.76 1.78 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.44 0.00 2.17 2.12 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 70 L 8.52 4.06 0.00 1.35 1.37 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.66 4.54 0.00 3.12 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 72 A 7.17 4.12 1.32 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 73 G 8.92 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 74 R 8.52 4.72 0.00 1.71 1.45 0.00 2.21 0.00 0.00 2.69 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.29 0.00 75 I 7.88 4.58 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.95 0.00 0.00 76 L 9.53 4.43 0.00 1.62 1.65 0.80 0.72 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 77 P 0.00 4.51 0.00 2.10 2.08 0.00 3.79 0.00 0.00 3.77 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 78 F 8.69 4.47 0.00 2.91 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 79 D 7.63 4.63 0.00 2.72 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 80 E 8.73 3.92 0.00 1.92 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 2.34 2.29 0.00 81 P 0.00 4.15 0.00 2.20 2.01 0.00 3.96 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 2.02 0.00 82 V 7.67 3.46 1.35 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 1.06 0.00 0.00 0.83 0.00 0.00 83 A 7.29 3.96 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 84 A 7.96 3.95 1.38 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 0.00 0.00 85 I 7.87 3.62 2.10 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 1.51 0.75 1.01 0.00 0.00 86 Y 8.42 4.23 0.00 3.43 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 87 A 8.66 3.92 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.85 4.42 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 89 I 8.20 3.72 1.94 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 1.77 1.46 0.90 0.00 0.00 90 R 7.76 3.88 0.00 1.51 1.76 0.00 2.99 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 0.00 91 S 7.72 4.04 0.00 4.05 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.87 4.20 0.00 2.91 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 93 A 7.49 3.85 1.29 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 0.00 0.00 94 K 7.82 3.93 0.00 1.70 1.96 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 95 T 7.36 4.54 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 1.30 0.00 0.00 96 H 7.75 4.57 0.00 2.91 3.08 0.00 5.95 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 97 G 8.05 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 98 K 7.83 3.69 0.00 1.64 1.64 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.40 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.58 7.81 99 E 8.48 4.45 0.00 2.04 1.87 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 2.17 2.22 0.00 100 I 7.83 4.33 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.53 0.72 0.00 0.00 101 A 8.15 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.49 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.58 3.54 1.23 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 0.00 0.00 104 D 7.98 4.43 0.00 2.62 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.26 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 0.00 106 Y 8.28 4.81 0.00 3.08 2.75 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 0.00 0.00 0.00 107 I 8.07 3.88 2.22 0.00 0.00 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 1.84 0.65 1.11 0.00 0.00 108 A 8.89 4.28 1.66 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 0.00 109 A 9.15 4.07 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 0.00 0.00 0.00 0.00 0.00 110 T 8.59 3.84 4.60 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 111 A 8.31 4.05 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.56 3.77 0.00 1.85 2.02 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 113 Q 7.71 3.96 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.09 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 114 H 7.50 4.44 0.00 3.12 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.12 3.64 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.13 4.88 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.35 0.00 117 T 8.18 4.83 4.32 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 1.32 0.00 0.00 118 V 8.89 4.35 1.68 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 0.22 0.00 0.00 0.75 0.00 0.00 119 A 8.89 5.18 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 0.00 120 T 8.35 4.79 4.14 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 1.22 0.00 0.00 121 R 9.26 4.14 0.00 0.67 1.44 0.00 2.21 0.00 0.00 2.53 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 122 D 7.81 4.91 0.00 2.81 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 0.00 123 T 7.77 4.23 4.31 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 1.15 0.00 0.00 124 G 7.62 3.96 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 0.00 0.00 0.00 125 S 7.89 4.33 0.00 3.43 3.62 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 0.00 126 F 7.67 4.04 0.00 3.29 3.19 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 0.00 127 F 8.74 4.29 0.00 3.25 3.33 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 0.00 128 A 7.09 3.21 0.72 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 0.00 129 A 7.60 4.23 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 0.00 130 D 7.95 4.52 0.00 2.90 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 0.00 131 V 7.72 4.48 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 1.02 0.00 0.00 132 A 8.59 4.31 1.32 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 0.00 133 V 8.47 5.03 2.12 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 0.90 0.00 0.00 1.04 0.00 0.00 134 F 8.89 4.64 0.00 3.11 2.81 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 0.00 135 N 8.17 5.48 0.00 2.55 2.30 0.00 0.00 7.44 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 0.00 136 P 0.00 3.64 0.00 1.80 1.12 0.00 4.06 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 137 W 8.47 3.96 0.00 3.56 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 0.00 138 H 7.57 4.70 0.00 2.93 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.07 4.76 0.00 1.52 1.51 0.97 0.79 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 0.00 140 E 8.36 4.79 0.00 1.94 1.86 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 2.46 2.47 0.00 141 H 8.40 4.95 0.00 3.11 3.08 0.00 5.69 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.73 4.74 0.00 3.13 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.51 4.55 0.00 3.14 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00