NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.3101 8.4293 118.7994 55.9884 31.7504 175.8826 9 T 4.4881 7.3297 109.0659 58.0685 72.9035 172.6674 10 L 3.9364 9.2312 121.7991 58.3810 41.8873 180.5722 11 E 3.9915 8.3487 117.1082 59.7548 29.6288 179.4206 12 A 3.9966 7.5204 120.0721 55.3049 18.4748 179.9280 13 R 3.9077 8.6075 116.8196 59.4080 30.1648 179.1572 14 I 3.3304 8.6053 118.8020 64.1627 37.7669 177.6109 15 N 4.3414 8.1815 116.3477 56.2311 38.1823 177.0387 16 R 4.0205 7.8239 119.4761 59.1939 30.0665 178.3537 17 A 4.0030 8.3763 119.8623 53.8986 18.2775 178.0044 18 T 4.1019 7.5899 107.1039 60.9500 69.3299 173.5993 19 N 4.2704 7.6462 121.4108 53.8816 38.9062 173.7209 20 P 4.4477 0.0000 0.0000 65.6289 31.7239 177.7776 21 L 4.2230 8.6614 117.8225 57.4012 41.8057 177.4112 22 N 4.1671 8.0447 114.4270 53.3954 38.6428 175.2569 23 K 4.0778 8.7890 122.8162 58.8200 32.5716 176.3820 24 E 4.7494 7.9096 114.0195 54.6569 31.9706 174.4803 25 L 3.7556 8.5651 118.9900 55.7638 42.4266 177.8054 26 D 4.8081 7.8492 121.4040 51.5722 40.6284 176.0303 27 W 4.5678 8.0281 123.0973 59.6774 29.3562 177.3338 28 A 4.0630 8.3070 119.9412 55.5817 17.7861 179.7069 29 S 4.0903 8.1762 112.6522 61.7050 63.0605 176.9731 30 I 3.6622 7.7504 122.3937 64.6422 36.8945 178.3267 31 N 4.5839 8.9787 117.7260 56.2494 38.3274 177.6128 32 G 3.7414 8.4605 107.4655 47.8839 0.0000 175.4291 33 F 4.0904 8.6955 123.3081 61.3549 39.2170 176.6647 34 C 4.0881 8.0364 114.5604 59.8380 38.4746 175.4135 35 E 3.8839 8.1752 121.0894 59.0882 29.0277 178.5618 36 Q 3.9103 8.0128 119.1729 58.5810 29.4482 177.6679 37 L 3.9684 7.2520 121.0965 58.1979 40.5767 178.4280 38 N 4.3617 7.2800 114.9036 54.3400 38.5153 175.4530 39 E 3.7892 7.7417 119.7424 57.6870 29.1096 177.3865 40 D 4.4627 8.6752 119.9787 55.2643 42.2002 178.1594 41 F 3.8312 8.9694 122.3763 59.9535 39.3639 175.8380 42 E 4.4839 8.2467 117.1251 56.3136 30.2734 178.2265 43 G 3.5277 8.1622 108.4322 47.7221 0.0000 174.1241 44 P 4.3153 0.0000 0.0000 64.8548 31.3734 176.7115 45 P 4.2237 0.0000 0.0000 65.6715 31.2231 178.4782 46 L 4.0315 7.6379 117.0685 57.5876 41.8726 178.9931 47 A 4.2136 7.9633 121.3678 55.3252 18.4961 179.5914 48 T 3.6683 8.0805 108.4737 65.0522 68.8087 176.5889 49 R 4.0359 8.2270 121.6218 58.9656 30.1757 178.5703 50 L 4.2131 7.7750 119.1111 57.6101 41.7087 179.3880 51 L 4.0231 8.7240 119.0908 57.7254 41.4125 179.0563 52 A 4.1466 8.4560 119.9480 55.7579 18.4424 178.8889 53 H 4.2329 7.9642 114.9506 59.3762 29.9973 177.6287 54 K 3.9122 7.9771 119.8847 59.6322 31.6983 179.4735 55 I 3.7789 8.1092 119.0158 63.8888 37.0565 177.5169 56 Q 4.2772 7.3933 116.5492 55.1181 29.3099 176.1056 57 S 4.2094 7.1719 115.4829 57.6857 62.9411 172.6316 58 P 4.2820 0.0000 0.0000 64.9344 31.5314 176.7344 59 Q 4.2327 8.3495 118.2788 54.8439 27.9015 176.0600 60 E 3.9014 8.9573 124.2617 59.4472 29.7680 178.5193 61 W 4.6534 8.4166 127.4412 60.6241 30.6295 177.4031 62 E 3.6370 8.4053 119.2748 58.9795 29.0297 178.6627 63 A 4.0523 7.8121 120.3956 55.1714 18.5633 179.5160 64 I 3.5980 8.0238 118.7195 64.5890 37.1777 178.7734 65 Q 3.5307 7.4018 118.2619 58.4520 28.3547 178.3555 66 A 3.8289 7.7417 121.8542 55.2829 18.3559 179.7213 67 L 4.0216 8.4532 117.7443 58.3041 41.7636 179.9373 68 T 3.9684 7.9312 115.6134 66.0881 68.2053 177.1922 69 V 3.5548 7.6700 120.6334 65.6686 31.6107 177.6092 70 L 4.1749 8.1192 120.2411 58.5015 41.7713 178.5767 71 E 4.3970 8.4245 117.7378 59.7383 29.7107 178.7053 72 T 4.1995 8.0209 115.5198 67.0378 68.1946 176.2940 73 C 4.3283 8.7395 118.7384 60.1098 39.8625 176.0778 74 M 3.9160 8.1021 119.6915 57.9839 31.4776 178.7834 75 K 4.2031 7.8779 118.4498 58.7662 33.6763 178.4861 76 S 4.6262 7.0624 113.3918 55.9217 61.9256 173.2237 77 C 4.5919 7.2420 115.3897 59.7764 32.8165 174.8740 78 G 4.2058 7.6755 111.7439 44.5239 0.0000 173.8458 79 K 4.0124 8.4009 118.9278 59.5545 32.0754 178.6006 80 R 3.6836 7.5016 114.9916 60.8377 30.6901 178.0324 81 F 4.2515 8.1365 120.7941 61.8161 40.0061 177.1367 82 H 3.9193 8.0664 115.8292 58.8143 28.5093 177.4998 83 D 4.2300 8.1345 120.7556 57.2052 40.4584 178.3700 84 E 3.8917 7.3778 117.5413 58.9820 29.6225 178.5380 85 V 3.5165 6.9028 117.1708 64.6264 31.6811 177.4016 86 G 3.6378 7.4873 103.0446 44.5386 0.0000 173.5838 87 K 4.2972 6.8435 119.7871 55.0040 33.7119 177.9933 88 F 4.4524 8.2689 119.8582 60.3333 38.5675 177.7006 89 R 3.9323 8.2253 117.7448 59.1666 29.8540 177.2792 90 F 4.6263 8.1057 119.0325 60.5862 40.0333 177.2430 91 L 3.8168 7.9460 118.5318 58.2182 41.4364 179.5076 92 N 4.2550 8.4648 116.0882 56.4607 38.0845 177.0950 93 E 3.8944 8.2271 119.9819 59.4874 29.3537 179.6239 94 L 3.8997 7.3100 118.3027 57.7341 41.7816 179.3322 95 I 3.6747 7.7109 119.8027 64.3651 37.0217 178.5576 96 K 3.7168 8.2176 119.6775 59.3914 31.4660 179.5627 97 V 3.6032 7.4687 117.3079 65.7584 31.2304 178.1590 98 V 3.9970 7.3102 110.7752 61.8714 32.1226 176.6231 99 S 4.2845 8.3439 115.0370 57.3533 62.4794 172.8888 100 P 4.2316 0.0000 0.0000 65.4452 31.2741 177.6210 101 K 3.9401 8.1761 118.0505 58.6529 33.5752 176.2586 102 Y 4.5155 7.9343 111.7366 58.3356 37.9589 177.8539 103 L 4.2900 7.8255 134.9461 56.5617 42.6146 178.6226 104 G 3.9613 8.5014 109.0414 49.0950 0.0000 175.6302 105 S 4.1085 8.2451 113.3885 60.4879 62.7137 175.2662 106 R 4.5401 7.8972 116.7117 55.8409 30.3108 175.4687 107 T 4.3872 7.4590 115.5266 61.9662 69.9265 175.3567 108 S 4.0664 8.7065 119.2977 59.1275 63.5196 175.0424 109 E 3.9741 8.9190 128.7179 59.0623 29.4686 178.8974 110 K 3.8865 7.7560 119.2174 59.6197 32.2479 178.9168 111 V 3.6396 7.8345 117.9363 65.9413 31.3741 178.0337 112 K 3.9860 7.9814 117.7981 59.3899 31.8980 178.9952 113 N 4.3057 7.9328 116.4762 56.1779 38.4109 177.0499 114 K 3.8008 7.8876 120.6963 59.8857 32.2051 178.6816 115 I 3.6152 7.5060 119.6056 64.4335 37.0768 178.5062 116 L 4.1942 7.9921 119.7940 57.6996 41.4278 179.4476 117 E 4.0001 8.8514 119.0528 59.1947 29.3010 179.2612 118 L 3.2171 7.8847 119.1989 57.4570 41.6097 179.2442 119 L 3.7923 7.7054 119.1019 58.0447 41.6996 179.1154 120 Y 3.2073 7.4434 118.6680 60.6181 38.7467 177.7372 121 S 3.7714 8.1517 114.2882 61.4949 62.2937 176.3152 122 W 4.4700 8.0716 121.6998 59.5739 28.4580 178.7475 123 T 3.9890 7.6771 110.0919 64.6053 67.8774 176.8569 124 V 3.6398 7.2088 120.2381 65.4959 31.6853 177.9571 125 G 3.7861 7.9685 104.2344 46.1144 0.0000 174.0527 126 L 5.6773 8.3766 119.7012 51.5277 41.6139 175.7266 127 P 4.5530 0.0000 0.0000 64.6635 32.3379 178.4964 128 E 4.0518 8.2312 119.0649 59.4341 29.5847 176.4930 129 E 4.7115 7.8802 119.2640 55.7819 27.5520 177.5996 130 V 3.6398 8.2408 116.9931 64.4273 31.9219 177.7732 131 K 3.8284 7.9605 117.3556 59.5839 31.8876 179.1945 132 I 3.8009 7.6936 119.2074 64.4192 37.0108 178.2237 133 A 4.1701 7.9302 121.6234 54.9200 18.1646 179.2158 134 E 3.9478 8.9752 118.0816 59.6264 29.9336 178.9835 135 A 4.1391 8.7478 121.1555 55.4164 18.4194 179.0009 136 Y 4.1667 8.1112 117.8489 60.7779 38.8703 178.2279 137 Q 3.8427 8.5487 119.3080 59.2864 28.6221 178.1732 138 M 4.1272 8.2271 119.2451 58.7357 31.9771 177.9583 139 L 3.9558 7.7397 120.0331 57.5569 42.2720 178.6010 140 K 3.8160 7.7140 119.6444 58.6892 31.8627 178.7393 141 K 3.9867 8.3050 119.8613 59.1890 32.2066 178.0634 142 Q 4.2672 7.6066 115.5652 55.7700 28.7130 176.3642 143 G 3.8736 7.6771 108.0519 46.5583 0.0000 175.4641 144 I 3.8151 7.4685 123.3001 63.2493 37.4267 176.6299 145 V 3.8297 7.5316 123.3131 62.8741 31.3543 175.2352 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 8 E 8.43 4.31 0.00 2.09 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 2.18 2.32 0.00 9 T 7.33 4.49 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 10 L 9.23 3.94 0.00 1.71 1.84 0.76 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.35 3.99 0.00 2.07 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 2.43 2.51 0.00 12 A 7.52 4.00 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 13 R 8.61 3.91 0.00 2.20 2.17 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 14 I 8.61 3.33 1.83 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.12 0.98 0.00 0.00 15 N 8.18 4.34 0.00 2.84 2.86 0.00 0.00 7.05 8.52 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 16 R 7.82 4.02 0.00 2.04 1.99 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 17 A 8.38 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.59 4.10 4.17 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 0.94 0.00 0.00 19 N 7.65 4.27 0.00 2.96 2.93 0.00 0.00 7.22 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 20 P 0.00 4.45 0.00 2.13 2.32 0.00 3.72 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 2.11 0.00 21 L 8.66 4.22 0.00 1.75 1.77 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.04 4.17 0.00 3.21 3.17 0.00 0.00 7.09 7.77 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 23 K 8.79 4.08 0.00 1.75 1.83 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 24 E 7.91 4.75 0.00 2.08 1.89 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 2.23 2.37 0.00 25 L 8.57 3.76 0.00 1.40 0.77 0.77 0.58 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 26 D 7.85 4.81 0.00 2.59 2.40 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 27 W 8.03 4.57 0.00 3.52 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 28 A 8.31 4.06 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 29 S 8.18 4.09 0.00 3.97 3.90 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 0.00 0.00 0.00 0.00 30 I 7.75 3.66 2.09 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.91 1.06 0.00 0.00 31 N 8.98 4.58 0.00 2.94 2.93 0.00 0.00 6.97 7.61 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 32 G 8.46 3.74 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 0.00 0.00 0.00 33 F 8.70 4.09 0.00 3.05 3.21 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 0.00 0.00 0.00 0.00 34 C 8.04 4.09 0.00 3.15 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 E 8.18 3.88 0.00 2.02 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 2.24 2.26 0.00 36 Q 8.01 3.91 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 37 L 7.25 3.97 0.00 1.57 1.29 0.63 -0.20 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 38 N 7.28 4.36 0.00 2.71 2.77 0.00 0.00 7.07 7.54 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 39 E 7.74 3.79 0.00 1.99 1.71 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 2.27 2.36 0.00 40 D 8.68 4.46 0.00 2.74 2.60 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 0.00 41 F 8.97 3.83 0.00 3.04 3.12 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 42 E 8.25 4.48 0.00 2.17 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 0.00 2.46 2.30 0.00 43 G 8.16 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.16 2.22 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 45 P 0.00 4.22 0.00 2.17 2.11 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.45 0.00 46 L 7.64 4.03 0.00 1.73 1.82 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.96 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 3.67 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 0.64 0.00 0.00 49 R 8.23 4.04 0.00 1.97 2.14 0.00 3.12 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 50 L 7.77 4.21 0.00 2.19 1.82 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.72 4.02 0.00 1.83 1.94 1.17 0.75 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 52 A 8.46 4.15 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.96 4.23 0.00 3.32 3.52 0.00 5.60 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 54 K 7.98 3.91 0.00 1.93 1.76 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.69 1.55 7.81 55 I 8.11 3.78 1.90 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 0.91 0.00 0.00 56 Q 7.39 4.28 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 57 S 7.17 4.21 0.00 3.84 3.90 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 0.00 0.00 0.00 0.00 58 P 0.00 4.28 0.00 2.09 2.10 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 59 Q 8.35 4.23 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 60 E 8.96 3.90 0.00 2.08 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 0.00 2.49 2.47 0.00 61 W 8.42 4.65 0.00 3.37 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 62 E 8.41 3.64 0.00 2.01 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 2.37 2.20 0.00 63 A 7.81 4.05 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 64 I 8.02 3.60 1.95 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 1.78 1.18 1.01 0.00 0.00 65 Q 7.40 3.53 0.00 1.53 1.76 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 1.24 1.16 0.00 66 A 7.74 3.83 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 67 L 8.45 4.02 0.00 1.85 1.76 0.92 1.03 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 68 T 7.93 3.97 4.17 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 1.11 0.00 0.00 69 V 7.67 3.55 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 0.71 0.00 0.00 0.64 0.00 0.00 70 L 8.12 4.17 0.00 2.06 2.09 1.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.42 4.40 0.00 2.17 2.22 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 2.50 2.55 0.00 72 T 8.02 4.20 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 1.40 0.00 0.00 73 C 8.74 4.33 0.00 2.65 2.52 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 74 M 8.10 3.92 0.00 1.78 2.32 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.92 0.00 75 K 7.88 4.20 0.00 1.93 1.91 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.79 7.81 76 S 7.06 4.63 0.00 3.76 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 77 C 7.24 4.59 0.00 3.13 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 78 G 7.68 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.40 4.01 0.00 1.77 1.78 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.61 7.81 80 R 7.50 3.68 0.00 1.74 1.70 0.00 2.58 0.00 0.00 2.78 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.23 0.00 81 F 8.14 4.25 0.00 2.92 2.97 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 0.00 0.00 0.00 82 H 8.07 3.92 0.00 3.23 3.32 0.00 5.69 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 83 D 8.13 4.23 0.00 2.65 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 84 E 7.38 3.89 0.00 1.82 1.61 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 2.37 2.24 0.00 85 V 6.90 3.52 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 0.56 0.00 0.00 -0.53 0.00 0.00 86 G 7.49 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 87 K 6.84 4.30 0.00 1.86 1.71 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.57 7.81 88 F 8.27 4.45 0.00 3.12 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 89 R 8.23 3.93 0.00 1.85 2.06 0.00 3.32 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 90 F 8.11 4.63 0.00 3.10 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 91 L 7.95 3.82 0.00 1.92 1.89 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.46 4.26 0.00 2.81 2.78 0.00 0.00 7.01 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 93 E 8.23 3.89 0.00 1.77 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 2.58 2.54 0.00 94 L 7.31 3.90 0.00 1.74 1.63 1.03 0.78 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 95 I 7.71 3.67 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.79 0.00 0.00 96 K 8.22 3.72 0.00 1.78 1.78 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.76 1.34 7.81 97 V 7.47 3.60 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 1.02 0.00 0.00 0.97 0.00 0.00 98 V 7.31 4.00 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 0.82 0.00 0.00 1.02 0.00 0.00 99 S 8.34 4.28 0.00 3.89 4.02 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 0.00 100 P 0.00 4.23 0.00 2.08 2.11 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 101 K 8.18 3.94 0.00 1.64 1.80 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.49 1.16 7.81 102 Y 7.93 4.52 0.00 3.11 2.14 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 0.00 103 L 7.83 4.29 0.00 1.86 1.73 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.50 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 0.00 105 S 8.25 4.11 0.00 3.98 4.03 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 0.00 106 R 7.90 4.54 0.00 1.83 1.96 0.00 3.15 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 107 T 7.46 4.39 4.42 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 1.24 0.00 0.00 108 S 8.71 4.07 0.00 3.90 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 0.00 109 E 8.92 3.97 0.00 2.12 1.94 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 2.38 2.44 0.00 110 K 7.76 3.89 0.00 1.90 1.81 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.47 7.81 111 V 7.83 3.64 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 1.02 0.00 0.00 0.96 0.00 0.00 112 K 7.98 3.99 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 113 N 7.93 4.31 0.00 2.90 2.87 0.00 0.00 6.67 9.02 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 0.00 114 K 7.89 3.80 0.00 1.91 1.95 0.00 1.52 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.54 7.81 115 I 7.51 3.62 2.01 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 1.51 0.57 0.89 0.00 0.00 116 L 7.99 4.19 0.00 1.88 1.79 0.93 0.75 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 0.00 117 E 8.85 4.00 0.00 2.05 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 2.33 2.57 0.00 118 L 7.88 3.22 0.00 1.32 0.15 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.71 3.79 0.00 1.71 1.87 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.44 3.21 0.00 2.68 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 0.00 121 S 8.15 3.77 0.00 3.73 3.74 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 0.00 122 W 8.07 4.47 0.00 3.53 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 0.00 123 T 7.68 3.99 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 1.28 0.00 0.00 124 V 7.21 3.64 1.74 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 0.70 0.00 0.00 0.30 0.00 0.00 125 G 7.97 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 0.00 0.00 0.00 126 L 8.38 5.68 0.00 1.71 1.61 0.47 0.87 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 0.00 127 P 0.00 4.55 0.00 2.17 2.28 0.00 3.46 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 128 E 8.23 4.05 0.00 2.07 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 2.39 2.39 0.00 129 E 7.88 4.71 0.00 2.10 1.83 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 2.23 2.25 0.00 130 V 8.24 3.64 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 0.90 0.00 0.00 0.91 0.00 0.00 131 K 7.96 3.83 0.00 1.57 0.97 0.00 1.41 0.00 0.00 1.04 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.80 1.32 7.81 132 I 7.69 3.80 2.07 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.10 1.16 0.00 0.00 133 A 7.93 4.17 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 0.00 134 E 8.98 3.95 0.00 2.32 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 0.00 2.45 2.45 0.00 135 A 8.75 4.14 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.11 4.17 0.00 3.29 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 0.00 137 Q 8.55 3.84 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.52 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 138 M 8.23 4.13 0.00 2.09 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 2.59 2.55 0.00 139 L 7.74 3.96 0.00 2.05 1.58 0.92 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.71 3.82 0.00 1.43 1.68 0.00 1.61 0.00 0.00 1.38 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.27 7.81 141 K 8.31 3.99 0.00 1.81 1.94 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 142 Q 7.61 4.27 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.24 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 143 G 7.68 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 0.00 144 I 7.47 3.82 1.95 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 1.23 0.83 0.90 0.00 0.00 145 V 7.53 3.83 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 0.72 0.00 0.00 0.77 0.00 0.00