NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2152 8.3001 120.3163 56.2710 33.2720 174.4232 2 A 3.6175 8.7242 122.4204 51.1056 16.2191 174.8565 3 D 5.1090 8.6374 118.7064 53.1431 43.8978 173.1788 4 W 4.6097 8.9364 116.4617 57.1317 31.4151 177.9748 5 Q 4.0497 8.1227 117.4272 59.1465 27.6924 178.6163 6 K 4.1613 8.0466 119.9522 59.2613 32.1532 179.1268 7 K 4.0012 8.2492 118.4656 58.9988 32.0455 178.6673 8 L 4.3689 7.8030 118.1341 55.9572 43.2374 177.2046 9 T 4.6118 8.1028 112.5974 59.3672 67.1822 171.2635 10 P 4.6481 0.0000 0.0000 62.2383 32.1139 174.7917 11 E 4.6732 7.9714 114.4243 57.6720 31.7548 177.9927 12 Q 4.0386 8.1451 121.5521 59.0746 29.8907 178.3337 13 F 4.1718 8.2496 117.5073 59.0156 40.2515 176.2327 14 Y 4.7420 8.1586 120.9054 60.7294 39.0220 177.1509 15 V 3.4041 7.9488 119.3792 66.1314 31.4973 177.9047 16 T 3.9727 7.5255 108.7993 64.0200 68.2744 176.2619 17 R 4.1602 7.8753 121.3012 58.8732 30.5763 177.6758 18 E 4.1981 8.0176 117.1088 57.8739 30.2199 177.8908 19 K 4.8413 8.1285 120.9090 54.7665 29.3104 177.2625 20 G 4.8523 7.2290 115.9752 46.3162 0.0000 171.7248 21 T 4.6011 7.8509 113.5298 60.3182 70.7131 172.2596 22 E 4.7713 8.5014 125.1959 54.6749 31.6116 174.8059 23 A 4.7334 8.0057 123.7013 49.6019 22.0442 174.5156 24 P 4.5323 0.0000 0.0000 62.5719 32.4878 175.9230 25 F 4.0192 8.9327 116.0067 59.1446 37.8424 176.7427 26 S 3.9179 7.5682 117.7271 59.1324 64.6126 178.9878 27 G 3.7921 8.2491 108.8355 46.4676 0.0000 175.5825 28 M 3.9492 9.3174 124.3061 57.8725 32.7366 176.4044 29 Y 4.3535 8.1536 118.2543 57.8645 39.1361 175.7360 30 L 4.3277 7.9846 118.5971 56.6151 42.4317 176.4897 31 N 4.8029 7.6519 115.9452 51.4581 39.7422 174.1033 32 N 4.4977 8.4532 115.9245 54.0114 39.6648 175.4496 33 K 4.2891 8.1168 120.2501 54.1849 34.7093 176.1418 34 E 4.0688 8.6160 124.9338 56.2972 30.3163 175.9216 35 T 4.4284 8.3119 116.8900 61.9378 70.2967 175.2145 36 G 4.1329 7.5066 108.1786 46.5254 0.0000 170.5721 37 M 5.5261 8.0582 118.9982 54.6019 35.6421 173.6994 38 Y 5.4548 9.4605 116.5190 56.6967 42.0418 174.7306 39 H 5.2870 9.2660 117.2241 54.0627 32.5782 172.6090 40 C 4.6392 8.3334 117.3579 59.5702 28.8170 174.1244 41 V 4.4099 8.2437 119.9260 61.7667 31.4727 176.1170 42 C 4.7165 8.3415 121.4841 60.8725 34.9812 174.0157 43 C 4.4670 8.4510 109.5606 58.0879 28.9937 173.4094 44 D 4.7225 9.2728 111.8709 54.6797 47.3800 175.3665 45 S 4.8189 7.8132 113.7180 56.0391 65.2070 171.9626 46 P 4.4700 0.0000 0.0000 62.8395 31.5441 175.6284 47 L 4.3255 8.5039 121.4944 54.8422 45.1370 176.3806 48 F 4.9965 7.5781 116.7272 55.5904 42.9548 174.2716 49 S 5.1132 8.8077 120.3521 57.7314 63.9636 175.5871 50 S 4.6828 9.5001 119.4185 60.3889 62.5363 175.5954 51 E 3.9210 8.4119 120.1412 59.5777 29.5418 177.2647 52 K 4.2173 8.1231 115.7615 55.9724 32.2783 176.3802 53 K 4.0068 7.7281 121.7506 56.5812 32.8654 177.7923 54 Y 4.3482 8.3531 124.8019 58.4162 35.4536 174.6463 55 C 4.3634 7.7085 124.0828 58.9379 33.1134 172.8592 56 S 3.6183 8.7030 112.4746 58.8420 61.1222 172.1678 57 G 4.0656 7.6657 105.4705 46.7294 0.0000 174.5927 58 T 4.4342 7.3331 114.3610 60.8840 71.0484 176.2728 59 G 4.1048 8.3320 107.8351 45.3121 0.0000 173.7428 60 W 4.1138 7.5457 128.1689 56.3901 31.5190 174.8656 61 P 4.2704 0.0000 0.0000 62.1445 29.2687 174.9025 62 S 5.3361 7.7547 122.7956 57.6431 68.1531 173.0022 63 F 5.0429 9.3446 120.7614 55.8547 41.1512 175.2395 64 S 4.4143 9.1554 120.4781 60.4371 63.0479 174.1902 65 E 4.7569 7.9475 117.9619 54.5863 33.6961 175.8706 66 A 4.1699 8.1108 124.0744 51.9216 16.2727 175.4881 67 Y 4.5102 8.0953 122.7785 54.5607 40.4592 176.7064 68 G 4.8399 7.3453 127.0700 46.5535 0.0000 172.3587 69 S 4.6881 7.2635 112.2612 56.5172 66.3057 173.1703 70 K 4.3434 9.2885 122.5405 55.8540 34.7233 174.2316 71 G 4.1632 8.4416 114.9237 46.4502 0.0000 175.3129 72 S 4.0971 8.2325 118.6303 60.8446 63.7187 175.4615 73 D 4.6834 7.9911 118.0581 54.9379 40.8862 177.7713 74 E 4.0987 7.8357 119.1494 58.1763 29.8463 177.9224 75 S 4.4504 7.8793 112.8586 60.5095 62.8395 175.2298 76 H 4.2924 8.0447 120.0963 59.2946 29.7785 176.7233 77 T 3.9605 7.9779 111.1949 62.8547 68.5033 175.2213 78 G 3.8975 7.6643 107.5026 45.7204 0.0000 172.4587 79 I 4.7466 7.4852 111.9957 59.4823 39.6390 174.4556 80 L 5.1229 8.9665 123.4981 53.4049 46.0886 175.1040 81 R 5.0779 8.2740 114.3378 55.9011 32.4263 174.7780 82 R 4.4761 8.9752 119.8351 55.7728 33.7455 173.8717 83 L 5.0657 8.5934 126.4080 53.8090 44.2271 176.0741 84 D 4.4244 8.9682 121.2853 53.4167 44.2103 175.0580 85 T 4.8842 8.4370 119.3669 61.1384 67.9116 175.2024 86 S 4.4364 8.1663 116.2551 59.2717 63.3406 174.9727 87 L 4.2711 7.8741 119.0247 54.7056 41.2512 177.6641 88 G 3.9729 8.5463 108.2855 45.1961 0.0000 173.4847 89 C 4.7173 7.5035 119.6103 56.6213 34.4903 170.6664 90 P 4.8363 0.0000 0.0000 62.7898 32.0022 175.6523 91 R 4.9784 9.2536 121.5344 54.7212 34.7494 174.1587 92 M 5.1342 8.7541 119.4461 53.7428 36.0348 174.2762 93 E 4.9448 9.2082 122.9583 54.6686 34.1875 174.3566 94 V 5.0337 8.9139 117.2372 59.8549 36.4143 174.9689 95 V 4.9298 8.8076 115.6002 59.8419 36.3716 173.5957 96 C 4.8998 8.9784 123.4803 55.7476 44.2976 174.3027 97 K 3.8244 8.9309 127.9529 58.9664 32.0536 178.2060 98 Q 4.1473 8.4001 118.7071 58.5857 28.7329 175.9920 99 C 4.5497 8.0773 109.3164 54.6506 42.8042 173.6599 100 E 3.7326 8.1831 117.8102 57.2352 26.4807 174.5174 101 A 4.2255 7.6379 123.9374 51.8625 17.7112 177.9535 102 H 4.9716 8.0837 121.5179 55.3569 27.4899 175.3652 103 L 4.7693 7.8351 120.3544 54.7046 44.8103 176.9211 104 G 4.4344 7.7784 106.4571 44.4994 0.0000 172.2220 105 H 5.0834 8.6649 118.5069 54.0226 32.6073 172.8503 106 V 4.3543 8.1003 119.3944 60.1837 34.6018 173.9038 107 F 5.4432 8.6361 123.3596 54.7183 42.9935 173.2694 108 P 4.8137 0.0000 0.0000 62.8314 31.9537 175.6771 109 D 4.7331 9.6301 116.2249 52.9632 40.7002 176.2110 110 G 3.5187 8.3105 112.9274 45.2988 0.0000 173.2995 111 P 4.5710 0.0000 0.0000 61.3963 32.7347 175.9549 112 K 4.0842 8.5978 116.6890 56.4049 32.6384 175.8524 113 P 4.4659 0.0000 0.0000 64.7013 31.3139 178.3390 114 T 3.8967 8.0280 109.3702 64.5984 68.5572 174.9624 115 G 4.0270 8.0174 108.3753 44.6648 0.0000 173.8757 116 Q 4.3306 7.6453 119.0464 56.2425 29.5388 176.1616 117 R 4.7363 8.7317 116.8358 53.4352 32.3698 174.1940 118 F 5.0824 8.9831 126.3445 56.6682 41.0117 173.4555 119 C 5.3390 8.5732 122.2118 56.5824 31.6006 172.8582 120 I 5.1514 8.5951 122.5988 59.4517 40.3599 174.2388 121 N 4.8468 8.8346 124.2717 50.9447 39.2818 174.7492 122 S 4.6385 8.5168 117.8660 58.7247 62.9396 176.4277 123 V 3.6997 7.2368 123.1105 64.2937 31.2574 176.5914 124 A 4.8471 7.9571 120.5107 51.2723 20.8654 174.8740 125 L 5.2228 8.2076 117.4124 54.3996 44.9018 176.2137 126 K 4.5186 8.8519 122.0237 54.6149 35.9131 174.6052 127 F 5.2700 7.2012 114.0498 55.7390 40.7505 174.0073 128 K 4.7907 8.9835 119.9438 54.0804 35.8306 174.8385 129 P 4.9387 0.0000 0.0000 62.0223 32.7271 176.2611 130 S 4.2470 8.6381 113.2209 60.5483 62.6807 174.5395 131 K 4.4055 7.8327 119.2363 54.1494 33.0493 174.7405 132 P 4.8199 0.0000 0.0000 62.6453 31.9646 176.1864 133 A 3.7026 8.7005 117.9225 52.7224 16.4412 177.7484 134 A 4.4609 7.6536 115.0685 53.0648 22.5498 177.1510 135 A 4.1806 8.0284 119.5839 52.2525 19.2132 178.3873 136 L 4.5185 7.8017 124.7396 53.5503 42.6151 175.6257 137 E 3.9971 8.3128 121.7669 59.1360 30.2089 176.2159 138 H 4.8220 7.5660 112.2016 53.8534 30.3158 174.3069 139 H 4.3052 8.6204 115.8946 56.1924 28.7344 174.6344 140 H 4.8531 7.9545 114.9755 55.6137 28.8596 172.9070 141 H 4.8722 7.9196 116.6588 55.2435 30.8558 172.3924 142 H 4.7935 8.1223 118.4317 54.9910 32.7185 172.5225 143 H 4.3286 8.4095 114.2893 56.1672 28.1194 174.9413 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 4.22 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 2 A 8.72 3.62 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 3 D 8.64 5.11 0.00 2.94 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 4 W 8.94 4.61 0.00 3.32 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 5 Q 8.12 4.05 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 6 K 8.05 4.16 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.63 7.81 7 K 8.25 4.00 0.00 1.89 1.73 0.00 1.69 0.00 0.00 1.40 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.59 7.81 8 L 7.80 4.37 0.00 1.88 1.77 1.10 0.82 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 9 T 8.10 4.61 4.28 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 1.29 0.00 0.00 10 P 0.00 4.65 0.00 2.43 2.18 0.00 3.26 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 11 E 7.97 4.67 0.00 2.10 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 0.00 2.38 2.34 0.00 12 Q 8.15 4.04 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 13 F 8.25 4.17 0.00 3.08 3.14 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 14 Y 8.16 4.74 0.00 3.16 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 15 V 7.95 3.40 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 0.97 0.00 0.00 0.95 0.00 0.00 16 T 7.53 3.97 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 1.20 0.00 0.00 17 R 7.88 4.16 0.00 1.87 2.35 0.00 3.36 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 18 E 8.02 4.20 0.00 1.98 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 1.98 1.67 0.00 19 K 8.13 4.84 0.00 1.93 1.86 0.00 2.00 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.67 7.81 20 G 7.23 4.85 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 0.00 0.00 0.00 21 T 7.85 4.60 4.28 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 1.35 0.00 0.00 22 E 8.50 4.77 0.00 1.96 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 2.23 2.24 0.00 23 A 8.01 4.73 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 24 P 0.00 4.53 0.00 2.32 2.28 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 25 F 8.93 4.02 0.00 3.26 3.16 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 26 S 7.57 3.92 0.00 4.07 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 27 G 8.25 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 28 M 9.32 3.95 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 29 Y 8.15 4.35 0.00 3.02 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 30 L 7.98 4.33 0.00 1.80 1.71 0.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.65 4.80 0.00 2.81 2.85 0.00 0.00 5.99 7.99 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 32 N 8.45 4.50 0.00 2.67 2.74 0.00 0.00 6.58 6.67 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 33 K 8.12 4.29 0.00 1.67 1.57 0.00 1.37 0.00 0.00 1.39 0.00 0.00 2.70 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.18 1.07 7.81 34 E 8.62 4.07 0.00 1.87 1.85 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 2.27 2.32 0.00 35 T 8.31 4.43 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 1.23 0.00 0.00 36 G 7.51 4.13 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 0.00 37 M 8.06 5.53 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 38 Y 9.46 5.45 0.00 3.05 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 39 H 9.27 5.29 0.00 3.28 3.30 0.00 5.46 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.33 4.64 0.00 2.87 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 41 V 8.24 4.41 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 0.65 0.00 0.00 0.92 0.00 0.00 42 C 8.34 4.72 0.00 2.92 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 43 C 8.45 4.47 0.00 3.08 2.56 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 44 D 9.27 4.72 0.00 2.61 2.65 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 0.00 0.00 0.00 0.00 45 S 7.81 4.82 0.00 3.79 3.91 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 46 P 0.00 4.47 0.00 2.04 2.03 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 47 L 8.50 4.33 0.00 0.94 0.13 0.64 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.58 5.00 0.00 2.59 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 0.00 0.00 0.00 49 S 8.81 5.11 0.00 3.99 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 50 S 9.50 4.68 0.00 4.00 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 51 E 8.41 3.92 0.00 2.04 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 2.28 2.37 0.00 52 K 8.12 4.22 0.00 2.07 1.98 0.00 1.37 0.00 0.00 0.64 0.00 0.00 2.72 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.55 1.25 7.81 53 K 7.73 4.01 0.00 1.62 1.68 0.00 1.48 0.00 0.00 0.72 0.00 0.00 2.63 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.35 7.81 54 Y 8.35 4.35 0.00 3.05 2.90 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 55 C 7.71 4.36 0.00 2.95 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 56 S 8.70 3.62 0.00 4.14 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 57 G 7.67 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 58 T 7.33 4.43 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 1.17 0.00 0.00 59 G 8.33 4.10 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 0.00 0.00 0.00 60 W 7.55 4.11 0.00 3.18 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 61 P 0.00 4.27 0.00 1.86 1.80 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.24 0.00 62 S 7.75 5.34 0.00 3.68 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 63 F 9.34 5.04 0.00 2.40 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 64 S 9.16 4.41 0.00 3.54 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 65 E 7.95 4.76 0.00 2.13 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 2.33 2.37 0.00 66 A 8.11 4.17 1.18 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 67 Y 8.10 4.51 0.00 3.21 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 68 G 7.35 4.84 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 0.00 69 S 7.26 4.69 0.00 3.95 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 70 K 9.29 4.34 0.00 1.67 1.59 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.41 7.81 71 G 8.44 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 72 S 8.23 4.10 0.00 3.87 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 73 D 7.99 4.68 0.00 2.69 2.65 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 0.00 0.00 0.00 0.00 74 E 7.84 4.10 0.00 2.00 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 2.36 2.40 0.00 75 S 7.88 4.45 0.00 3.88 3.83 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 76 H 8.04 4.29 0.00 3.16 3.26 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.98 3.96 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 1.18 0.00 0.00 78 G 7.66 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 0.00 0.00 0.00 79 I 7.49 4.75 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.89 0.00 0.00 80 L 8.97 5.12 0.00 1.59 1.61 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.27 5.08 0.00 1.79 1.88 0.00 3.28 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 82 R 8.98 4.48 0.00 1.85 1.79 0.00 3.25 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 83 L 8.59 5.07 0.00 1.55 1.58 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.97 4.42 0.00 2.76 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 4.88 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 86 S 8.17 4.44 0.00 3.92 3.88 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 0.00 0.00 0.00 87 L 7.87 4.27 0.00 1.59 1.65 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.55 3.97 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 0.00 0.00 0.00 89 C 7.50 4.72 0.00 2.87 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 90 P 0.00 4.84 0.00 2.13 2.04 0.00 3.75 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 1.99 2.00 0.00 91 R 9.25 4.98 0.00 1.77 1.94 0.00 3.05 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 92 M 8.75 5.13 0.00 1.74 1.92 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 2.49 2.43 0.00 93 E 9.21 4.94 0.00 2.10 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 2.27 2.53 0.00 94 V 8.91 5.03 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 0.73 0.00 0.00 1.10 0.00 0.00 95 V 8.81 4.93 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 0.68 0.00 0.00 0.94 0.00 0.00 96 C 8.98 4.90 0.00 3.02 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 97 K 8.93 3.82 0.00 1.83 2.01 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.58 7.81 98 Q 8.40 4.15 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 99 C 8.08 4.55 0.00 3.08 3.30 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 0.00 100 E 8.18 3.73 0.00 2.18 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 2.23 2.45 0.00 101 A 7.64 4.23 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 0.00 102 H 8.08 4.97 0.00 3.32 3.40 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.84 4.77 0.00 1.60 1.83 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.78 4.43 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 0.00 105 H 8.66 5.08 0.00 2.41 3.24 0.00 5.43 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.10 4.35 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 0.00 0.00 0.19 0.00 0.00 0.90 0.00 0.00 107 F 8.64 5.44 0.00 2.89 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 0.00 108 P 0.00 4.81 0.00 2.19 2.10 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 109 D 9.63 4.73 0.00 2.81 2.92 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 0.00 110 G 8.31 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 0.00 0.00 0.00 111 P 0.00 4.57 0.00 2.20 2.10 0.00 3.83 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 2.14 1.99 0.00 112 K 8.60 4.08 0.00 1.89 1.80 0.00 1.57 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.51 7.81 113 P 0.00 4.47 0.00 2.24 2.32 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 114 T 8.03 3.90 4.27 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 1.23 0.00 0.00 115 G 8.02 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 0.00 0.00 0.00 116 Q 7.65 4.33 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.55 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 117 R 8.73 4.74 0.00 1.52 1.84 0.00 3.12 0.00 0.00 3.19 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 118 F 8.98 5.08 0.00 3.13 3.14 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 0.00 119 C 8.57 5.34 0.00 3.50 3.30 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 0.00 120 I 8.60 5.15 1.60 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 0.46 0.00 0.00 121 N 8.83 4.85 0.00 2.67 2.85 0.00 0.00 7.33 7.46 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 0.00 122 S 8.52 4.64 0.00 3.94 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 0.00 123 V 7.24 3.70 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 0.62 0.00 0.00 0.96 0.00 0.00 124 A 7.96 4.85 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 0.00 125 L 8.21 5.22 0.00 1.64 1.68 1.07 0.64 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 0.00 126 K 8.85 4.52 0.00 1.28 1.28 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.18 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.13 1.21 7.81 127 F 7.20 5.27 0.00 2.57 2.54 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 0.00 128 K 8.98 4.79 0.00 1.66 1.67 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 1.37 7.81 129 P 0.00 4.94 0.00 2.30 2.05 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 130 S 8.64 4.25 0.00 3.93 3.91 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 0.00 131 K 7.83 4.41 0.00 1.87 1.68 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.49 7.81 132 P 0.00 4.82 0.00 2.14 2.05 0.00 3.49 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 133 A 8.70 3.70 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 0.00 134 A 7.65 4.46 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 0.00 135 A 8.03 4.18 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 0.00 136 L 7.80 4.52 0.00 1.51 1.54 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.31 4.00 0.00 1.93 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 2.26 2.21 0.00 138 H 7.57 4.82 0.00 3.21 3.28 0.00 5.78 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.62 4.31 0.00 3.01 3.29 0.00 5.47 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 7.95 4.85 0.00 3.20 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.92 4.87 0.00 3.14 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.12 4.79 0.00 2.97 3.07 0.00 5.74 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.41 4.33 0.00 3.23 3.23 0.00 5.63 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