NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4390 8.3349 115.4130 57.8701 64.6307 173.8597 2 K 4.1141 8.0950 119.5373 57.3408 32.8830 175.4971 3 T 4.2845 8.4172 117.4029 65.0420 71.2012 175.3940 4 N 4.3644 7.9586 120.3129 53.2070 39.8233 173.7106 5 P 4.3169 0.0000 0.0000 65.3650 31.5233 179.0282 6 R 3.8563 9.0504 117.7445 59.2626 30.1189 178.5880 7 L 4.0003 8.1404 119.5854 58.2169 41.9466 178.8059 8 S 4.0765 8.0346 112.9118 61.5185 62.3081 176.4211 9 S 4.0524 8.0535 117.7211 61.4474 62.5255 176.1415 10 L 3.8806 8.2896 123.4242 58.4635 41.8102 179.1182 11 I 3.6660 7.8498 119.1446 64.4535 37.0394 178.3430 12 A 4.0456 7.9302 121.5292 55.1764 18.1615 179.4915 13 D 4.2772 8.4016 117.9669 57.4237 40.9505 178.7957 14 L 3.9146 8.2190 119.8931 57.6452 41.5301 179.8949 15 K 3.9624 7.9456 117.8595 59.6913 32.1577 179.1646 16 S 4.0778 8.0662 113.1256 61.5511 62.0268 176.2590 17 A 4.0756 8.0984 123.0475 54.9465 18.1210 179.4510 18 A 4.2462 7.9514 118.1066 55.1492 18.4377 179.9314 19 R 4.0965 7.9894 116.0824 60.2433 30.5183 178.5965 20 S 4.1550 7.9532 113.9796 60.4433 62.7215 176.2524 21 S 4.3442 7.9777 117.0561 58.9415 63.6817 175.4112 22 G 3.8616 8.5487 108.2899 45.6396 0.0000 174.3704 23 G 3.7967 7.2955 108.5873 46.0532 0.0000 173.4885 24 A 4.5551 8.0070 121.2988 51.9426 21.5340 179.1571 25 V 3.4385 7.3845 109.1189 64.2396 31.4377 178.3677 26 W 4.9095 7.5421 118.3574 60.1713 28.8035 178.7076 27 G 3.6350 8.1736 104.9707 47.5217 0.0000 175.2531 28 D 4.3015 8.0083 120.4308 57.3261 41.3133 178.5240 29 V 3.6386 8.7480 119.6390 65.7896 31.4973 177.7776 30 A 4.0215 8.4273 120.9845 55.3114 18.0202 179.5126 31 E 4.0947 7.7930 115.8047 59.5870 29.7307 179.3062 32 R 4.0318 7.9679 118.4779 59.2933 29.8861 178.5761 33 L 3.7544 7.8657 118.2155 57.4327 41.6788 178.9189 34 E 4.1615 7.9634 117.7146 57.8409 29.5536 177.6050 35 K 4.3130 7.0405 117.6271 54.6987 33.1135 174.7995 36 P 4.1842 0.0000 0.0000 63.1882 31.9188 177.6749 37 R 3.5316 8.8142 121.3728 59.3442 30.1609 179.0799 38 R 3.9629 7.9274 113.0283 58.8043 29.4467 177.3958 39 T 4.2375 7.9252 107.3789 62.4631 69.4668 174.7630 40 H 4.4004 7.7123 119.4358 55.5749 29.5571 174.6764 41 A 4.3079 8.0510 122.2051 52.1746 19.7588 177.0949 42 E 4.9339 8.6529 119.4617 54.8456 31.9958 174.5994 43 V 4.4765 8.9022 124.8972 61.0469 34.5230 174.4234 44 N 5.7845 8.3723 122.9742 50.9878 41.2072 175.9605 45 L 4.0963 8.5118 120.2289 58.0478 41.3591 180.0281 46 G 3.8552 8.1641 104.4470 47.9543 0.0000 175.2054 47 R 4.0496 7.8228 120.7190 59.2336 30.2226 178.4852 48 I 3.7587 7.7695 119.1517 64.5460 36.9442 177.7036 49 E 3.9180 8.4211 119.1371 59.4195 29.4478 178.5865 50 R 3.8942 7.5595 117.3517 58.1535 30.1349 176.3069 51 Y 4.7381 7.5573 112.0719 57.2513 39.5294 174.9839 52 A 4.6514 7.8648 123.6699 51.1752 20.2313 176.9070 53 Q 4.6161 8.0843 115.8157 54.2703 31.5635 174.4069 54 E 3.8863 8.6701 120.1209 58.3470 29.9699 176.8739 55 D 4.4857 8.9095 119.9560 54.6087 38.2939 173.2935 56 E 4.7197 7.7617 119.6329 54.3102 31.9434 175.6727 57 T 4.1964 8.5145 124.8515 63.9883 69.8196 173.8174 58 V 4.3773 9.0553 127.6404 62.3043 33.2626 174.7170 59 V 4.7776 9.2458 128.5621 61.3454 33.6238 174.5169 60 V 4.8228 9.1198 130.2523 59.2585 32.2665 175.1161 61 P 4.4921 0.0000 0.0000 61.3465 30.5829 175.5045 62 G 4.2199 7.3710 115.4259 47.7021 0.0000 175.0278 63 K 4.9844 9.3919 127.0726 54.2233 35.7899 174.0525 64 V 4.7826 8.1956 125.0244 61.2533 33.8589 174.5767 65 L 4.9666 10.5262 126.6461 52.4965 45.0485 176.4841 66 G 3.8691 8.5185 107.1032 47.0274 0.0000 173.7294 67 S 4.5266 8.2769 116.8383 58.7032 64.5794 175.4099 68 G 4.2070 9.0084 110.0032 44.7089 0.0000 172.1910 69 V 4.3583 7.9285 116.9650 60.6305 33.8675 174.3683 70 L 4.8553 8.5112 128.0863 53.4501 44.0062 175.3199 71 Q 4.4908 10.4094 124.8244 56.9695 30.8868 176.8596 72 K 3.9700 8.2347 115.5196 57.1336 32.7781 176.7430 73 D 5.4872 8.4919 122.6289 52.4652 40.1838 175.1155 74 V 4.7455 7.8159 115.6402 59.2611 36.2116 174.2607 75 T 4.8054 8.3530 118.8181 62.3256 70.4080 173.7345 76 V 4.8911 8.6996 127.1366 61.1212 33.9974 174.1149 77 A 5.9400 9.7613 129.5624 49.6164 21.3664 175.0771 78 A 4.9795 8.2959 122.6801 49.4536 22.9607 176.8138 79 V 3.5377 8.3995 118.9522 66.2377 32.1056 175.5676 80 D 4.5462 7.1224 116.6422 53.5115 44.4770 174.2759 81 F 5.5153 8.7472 120.3171 55.2904 42.7324 175.2589 82 S 4.3189 8.9167 117.2952 58.1281 63.5245 175.5588 83 G 3.6772 8.8690 107.4668 48.3893 0.0000 176.1694 84 T 3.9227 7.8979 117.3074 66.1609 68.4925 176.3725 85 A 4.0086 7.8938 122.2679 55.4526 18.5141 179.3691 86 E 3.6033 8.2301 117.3387 59.3981 29.3051 179.3026 87 T 3.9196 7.2420 114.5811 66.4243 68.7342 176.7837 88 K 4.4372 8.1398 121.8887 58.8690 32.0073 179.6446 89 I 3.7480 7.9903 120.3069 64.4871 36.9410 178.0609 90 D 4.7787 7.4915 118.2686 55.9662 40.5663 178.3228 91 Q 4.1791 7.7761 119.3669 57.8233 28.8062 177.5271 92 V 4.5259 7.6621 109.9852 60.9892 34.3435 174.4540 93 G 4.1466 8.4452 111.6704 44.6627 0.0000 174.0089 94 E 5.0950 9.4420 126.3683 54.6221 33.2775 173.2624 95 A 4.6007 9.3590 129.9152 50.8528 19.8791 176.6069 96 V 4.6087 9.1502 122.8184 60.7542 35.4184 175.1830 97 S 4.6982 8.6850 121.3246 57.7504 64.0119 174.9361 98 L 3.8247 8.3026 124.8061 58.4635 41.1642 179.4332 99 E 3.8350 8.0550 118.0511 59.1052 29.3099 178.9758 100 Q 3.8115 7.9148 117.7924 58.3752 28.9225 178.1261 101 A 3.9956 8.0518 122.0669 55.4236 18.6065 179.6933 102 I 2.9630 7.3885 118.2036 64.0439 36.7384 178.3264 103 E 4.0378 7.2085 119.0254 59.1790 29.7907 178.0537 104 N 4.7036 8.2914 114.2868 54.4618 40.3362 175.6911 105 N 5.1093 8.0406 118.6385 52.2935 40.4753 172.6664 106 P 4.8252 0.0000 0.0000 63.6917 32.2077 177.8869 107 E 4.2297 8.5635 117.3516 56.0078 30.4024 176.1266 108 G 3.5435 7.8381 106.9592 46.3688 0.0000 172.8861 109 S 4.5854 8.0040 111.7949 57.7254 66.7544 174.5325 110 H 3.9804 8.4471 117.0203 57.4029 25.7644 174.2630 111 V 4.9677 7.2408 116.3812 59.8346 35.1516 176.6786 112 R 4.5395 8.9944 122.4761 54.5863 33.0606 174.1296 113 V 4.4474 8.4543 126.6858 62.5108 32.5378 175.0516 114 I 4.7976 8.8278 128.2415 59.3964 41.0079 175.9595 115 R 4.1834 8.4313 121.8354 56.4152 29.5181 174.8272 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 S 8.33 4.44 0.00 3.99 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 2 K 8.10 4.11 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.42 4.28 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 4 N 7.96 4.36 0.00 2.75 2.71 0.00 0.00 7.22 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 5 P 0.00 4.32 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 9.05 3.86 0.00 1.90 1.96 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 7 L 8.14 4.00 0.00 1.75 1.81 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.03 4.08 0.00 4.09 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 9 S 8.05 4.05 0.00 4.04 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 10 L 8.29 3.88 0.00 1.66 1.81 0.82 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.85 3.67 2.03 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 1.45 0.86 0.92 0.00 0.00 12 A 7.93 4.05 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 13 D 8.40 4.28 0.00 2.75 2.64 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 14 L 8.22 3.91 0.00 1.87 1.95 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.95 3.96 0.00 2.02 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 16 S 8.07 4.08 0.00 4.00 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 17 A 8.10 4.08 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 18 A 7.95 4.25 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 19 R 7.99 4.10 0.00 1.83 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 20 S 7.95 4.15 0.00 3.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.98 4.34 0.00 4.25 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 22 G 8.55 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 0.00 0.00 0.00 23 G 7.30 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.01 4.56 1.17 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 0.00 0.00 25 V 7.38 3.44 1.54 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 0.60 0.00 0.00 -0.58 0.00 0.00 26 W 7.54 4.91 0.00 3.33 3.24 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 27 G 8.17 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 28 D 8.01 4.30 0.00 3.02 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 29 V 8.75 3.64 2.41 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 1.02 0.00 0.00 1.16 0.00 0.00 30 A 8.43 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 4.09 0.00 2.06 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 2.36 2.45 0.00 32 R 7.97 4.03 0.00 1.95 2.04 0.00 3.31 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 33 L 7.87 3.75 0.00 1.78 1.68 0.89 0.70 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 34 E 7.96 4.16 0.00 2.14 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 2.36 2.50 0.00 35 K 7.04 4.31 0.00 1.98 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.60 7.81 36 P 0.00 4.18 0.00 2.16 1.99 0.00 3.64 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 2.12 2.14 0.00 37 R 8.81 3.53 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 38 R 7.93 3.96 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.93 4.24 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 1.22 0.00 0.00 40 H 7.71 4.40 0.00 3.27 3.26 0.00 5.67 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 41 A 8.05 4.31 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.65 4.93 0.00 1.80 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 2.20 2.29 0.00 43 V 8.90 4.48 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 44 N 8.37 5.78 0.00 2.70 2.98 0.00 0.00 7.62 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.51 4.10 0.00 1.84 1.74 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.16 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 0.00 0.00 0.00 47 R 7.82 4.05 0.00 1.91 2.00 0.00 3.21 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 48 I 7.77 3.76 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.60 0.97 0.00 0.00 49 E 8.42 3.92 0.00 1.92 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 2.44 2.32 0.00 50 R 7.56 3.89 0.00 1.70 1.44 0.00 2.41 0.00 0.00 2.91 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.29 0.00 51 Y 7.56 4.74 0.00 2.96 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 52 A 7.86 4.65 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.08 4.62 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 54 E 8.67 3.89 0.00 1.99 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 2.53 2.36 0.00 55 D 8.91 4.49 0.00 2.85 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 E 7.76 4.72 0.00 1.95 2.04 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 2.23 2.28 0.00 57 T 8.51 4.20 4.33 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 1.37 0.00 0.00 58 V 9.06 4.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 59 V 9.25 4.78 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 1.06 0.00 0.00 1.12 0.00 0.00 60 V 9.12 4.82 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 61 P 0.00 4.49 0.00 2.13 2.25 0.00 3.95 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 2.06 1.97 0.00 62 G 7.37 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 0.00 0.00 0.00 0.00 63 K 9.39 4.98 0.00 1.70 1.57 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.33 7.81 64 V 8.20 4.78 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 1.10 0.00 0.00 0.86 0.00 0.00 65 L 10.53 4.97 0.00 1.90 1.54 0.93 0.76 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 66 G 8.52 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 67 S 8.28 4.53 0.00 3.97 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 68 G 9.01 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 69 V 7.93 4.36 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.51 4.86 0.00 1.60 1.52 1.00 0.73 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 71 Q 10.41 4.49 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.23 3.97 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.45 1.81 7.81 73 D 8.49 5.49 0.00 2.85 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 74 V 7.82 4.75 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 0.91 0.00 0.00 0.96 0.00 0.00 75 T 8.35 4.81 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 1.26 0.00 0.00 76 V 8.70 4.89 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 1.01 0.00 0.00 1.02 0.00 0.00 77 A 9.76 5.94 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 78 A 8.30 4.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.40 3.54 2.13 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.12 4.55 0.00 2.75 2.36 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 81 F 8.75 5.52 0.00 2.84 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 82 S 8.92 4.32 0.00 3.96 4.04 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 83 G 8.87 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 0.00 0.00 0.00 84 T 7.90 3.92 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 1.22 0.00 0.00 85 A 7.89 4.01 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.23 3.60 0.00 1.95 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 2.17 2.03 0.00 87 T 7.24 3.92 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 1.20 0.00 0.00 88 K 8.14 4.44 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.54 7.81 89 I 7.99 3.75 1.83 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.88 0.87 0.00 0.00 90 D 7.49 4.78 0.00 2.66 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 91 Q 7.78 4.18 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.72 0.00 92 V 7.66 4.53 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 0.77 0.00 0.00 1.04 0.00 0.00 93 G 8.45 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 0.00 0.00 0.00 94 E 9.44 5.09 0.00 2.03 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 0.00 2.16 2.23 0.00 95 A 9.36 4.60 0.52 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 96 V 9.15 4.61 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 1.04 0.00 0.00 0.94 0.00 0.00 97 S 8.68 4.70 0.00 4.10 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 98 L 8.30 3.82 0.00 1.80 1.60 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.06 3.83 0.00 2.05 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 2.35 2.38 0.00 100 Q 7.91 3.81 0.00 2.27 2.13 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 2.36 2.36 0.00 101 A 8.05 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.39 2.96 1.54 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.23 0.63 0.00 0.00 103 E 7.21 4.04 0.00 1.77 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 2.30 2.32 0.00 104 N 8.29 4.70 0.00 2.75 2.89 0.00 0.00 6.82 8.06 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 0.00 105 N 8.04 5.11 0.00 2.90 3.00 0.00 0.00 6.80 7.33 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 0.00 106 P 0.00 4.83 0.00 2.31 2.30 0.00 3.49 0.00 0.00 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 107 E 8.56 4.23 0.00 2.01 2.04 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 2.31 2.40 0.00 108 G 7.84 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 0.00 109 S 8.00 4.59 0.00 3.90 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 0.00 110 H 8.45 3.98 0.00 3.36 3.37 0.00 5.56 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 0.00 111 V 7.24 4.97 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 0.47 0.00 0.00 0.86 0.00 0.00 112 R 8.99 4.54 0.00 2.02 1.79 0.00 3.13 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.45 4.45 2.04 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 0.86 0.00 0.00 0.88 0.00 0.00 114 I 8.83 4.80 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 1.49 0.99 0.99 0.00 0.00 115 R 8.43 4.18 0.00 1.85 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00