NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3083 8.3044 118.1961 55.1359 32.1553 174.5253 2 D 4.3365 8.4960 123.8502 52.6272 40.7713 174.6642 3 D 4.5794 8.5131 126.3441 55.0520 42.3997 177.4434 4 I 3.7097 6.8380 120.7725 64.1771 37.9475 177.2109 5 Y 4.2577 7.0874 117.0960 61.0101 37.5925 178.3087 6 K 3.8958 7.6175 117.2092 59.4425 32.0945 178.2749 7 A 4.1565 7.6636 118.2864 53.7114 18.2742 178.4372 8 A 4.3040 8.0974 119.2284 53.5347 19.2178 179.8291 9 V 3.5318 7.3926 117.3892 66.2886 31.4439 178.0171 10 E 4.0402 8.1855 116.4487 59.3278 29.2829 178.7691 11 Q 4.2510 7.6943 118.6674 58.1061 29.2319 175.9327 12 L 3.8491 7.3088 119.6946 54.4848 41.5031 177.3910 13 T 4.0838 8.5051 114.2975 61.4201 69.2503 175.1749 14 E 4.0919 8.7753 122.3668 59.0112 29.5131 178.9177 15 E 4.0644 7.8064 118.8105 58.5145 29.7739 178.4624 16 Q 3.7947 8.3178 118.7652 58.7970 28.7727 178.6184 17 K 4.4027 8.1426 118.9763 59.6031 32.3336 178.4267 18 N 4.3124 7.9189 117.1877 57.0041 38.8967 176.3506 19 E 3.9490 8.0274 120.0376 59.3762 29.6408 178.5767 20 F 4.5705 8.1950 117.8386 60.4324 39.0002 177.2310 21 K 4.5199 9.7035 119.5411 60.0981 32.0320 178.0838 22 A 4.1008 8.1922 120.0071 55.4403 18.3404 179.2177 23 A 4.0490 8.2100 118.5539 55.4316 18.4446 179.7497 24 F 3.6333 9.0357 119.2395 61.5609 39.5513 176.9091 25 D 4.6743 9.2168 119.0730 57.7684 40.4526 178.7453 26 I 3.9573 7.6846 117.2933 63.0412 38.1012 177.4406 27 F 4.4924 7.7609 121.2477 61.4943 39.6208 177.1613 28 V 3.4853 8.0393 117.5746 63.6877 30.9954 175.1239 29 L 3.9407 6.9497 120.3335 56.8676 41.9356 175.6130 30 G 3.6360 8.5435 115.3328 45.1239 0.0000 172.9946 31 A 4.6166 7.8531 124.4002 49.8498 20.6474 177.0600 32 E 3.9321 8.8961 124.4237 59.2298 29.9859 177.5158 33 D 4.3061 8.1221 117.3476 55.5921 41.3147 176.9653 34 G 3.9714 8.1861 104.9382 45.9602 0.0000 172.8246 35 S 4.9039 7.5427 113.1683 56.0311 67.5019 173.8815 36 I 3.6095 8.8267 123.6949 61.5542 37.8137 175.7535 37 S 4.9516 8.0992 122.1651 56.4376 66.3262 175.1677 38 T 3.7577 8.5099 109.3262 64.9889 67.9231 175.7896 39 K 3.7391 8.0622 122.9102 59.2503 31.6257 177.9215 40 E 3.7629 7.6349 117.3574 59.2528 29.3945 178.9503 41 L 4.1807 8.2117 120.8314 58.4960 41.9240 179.1295 42 G 3.5794 8.3718 106.1600 47.0379 0.0000 175.3127 43 K 3.8751 7.6673 122.2157 58.9988 32.5524 178.7995 44 V 3.7976 7.6614 117.5428 66.3401 31.5732 177.5942 45 M 4.0329 8.1745 118.4743 58.8804 31.6609 179.0722 46 R 3.9346 8.1693 116.7598 59.4888 30.3457 178.6886 47 M 4.1588 7.8371 117.0853 57.3089 31.9538 177.5360 48 L 4.3433 7.6361 117.8401 56.1791 43.2222 177.2224 *51 N 4.5848 7.8427 113.5029 52.0437 40.4719 172.1540 52 P 4.5405 0.0000 0.0000 63.2753 32.4335 175.9550 53 T 4.2343 8.4532 112.1442 61.0574 69.1376 173.5347 54 P 4.2877 0.0000 0.0000 66.0820 31.0478 178.4027 55 E 4.0590 8.1444 118.3684 59.2648 29.3670 179.0687 56 E 4.0198 8.0767 116.9667 59.5035 29.5813 179.0381 57 L 3.9206 8.0525 119.8968 57.4065 41.7342 179.0250 58 Q 4.1565 8.6323 120.1287 59.4662 29.2497 178.4142 59 E 4.9973 10.7800 119.9709 58.4208 29.1447 178.9859 60 M 4.1370 8.3103 118.7493 58.3347 32.9903 177.6518 61 I 3.9666 8.5041 119.3128 62.7212 36.7597 177.8617 62 D 4.4118 7.8341 120.8010 57.2697 40.7499 177.9248 63 E 4.0931 7.4571 117.7115 59.1867 29.9032 178.3481 64 V 3.7400 7.2964 117.7031 65.1996 31.8912 175.6492 65 D 4.6672 7.2337 117.0105 55.1139 41.6625 175.0870 66 E 4.4971 9.2558 123.5824 58.0781 31.1124 177.5636 67 D 4.4870 8.4561 115.0278 52.5898 39.2628 175.8658 68 G 4.0799 8.1041 106.4063 46.6499 0.0000 174.8901 69 S 4.0891 9.5430 113.4394 58.7617 62.6995 175.3632 70 G 3.8996 8.5946 109.4407 46.1964 0.0000 172.7618 71 T 4.8950 7.6323 108.3390 59.8368 72.7863 173.0680 72 V 4.6397 8.8429 121.5463 61.5107 33.1948 174.8714 73 D 5.1643 9.8623 128.3445 53.3275 42.9178 177.2554 74 F 3.7195 8.9784 121.4433 62.0799 38.8797 176.9100 75 D 4.5444 8.3926 116.5409 57.5968 40.8775 178.8264 76 E 4.0807 7.9983 118.2739 59.4977 29.6520 178.7107 77 F 4.2269 9.9170 120.4635 61.2093 39.2523 177.0681 78 L 3.0291 7.9381 120.3574 57.5525 41.8623 178.8874 79 V 3.3796 7.4121 118.1367 66.3224 31.3649 177.4047 80 M 3.7915 7.8619 117.2253 59.1339 31.8592 177.9697 81 M 3.7338 6.9805 118.5388 58.0084 31.8355 178.7307 82 V 3.5329 7.1104 117.4090 65.7325 31.3379 177.9789 83 R 3.5917 7.4726 118.5511 59.3477 29.8256 178.4129 84 S 4.0774 7.4022 111.6091 61.1831 62.3073 175.7738 85 M 4.3714 7.6807 120.7897 56.6093 31.9240 176.4869 86 K 4.3846 7.2823 118.8208 55.5088 32.3779 175.8730 87 D 4.9423 8.7138 122.6096 53.7953 42.3963 176.3721 88 D 4.8965 7.6776 116.5983 52.0386 38.9555 178.1525 89 S 4.2090 7.7210 112.9253 59.1906 61.6686 173.9546 90 K 4.1173 8.3003 126.7401 56.2562 30.8567 176.6953 91 G 4.0890 8.1554 113.6096 43.6024 0.0000 170.6742 92 K 4.7046 8.0965 118.0113 54.6112 34.0941 177.3190 93 S 4.4159 8.1797 116.7158 57.8402 65.3395 175.3033 94 E 3.8965 8.7973 124.1920 59.3212 29.0439 178.9805 95 E 4.0108 8.0520 118.4399 58.9629 30.0426 177.7351 96 E 4.1058 8.4821 119.7780 59.4888 29.7348 178.8785 97 L 4.0989 8.0645 118.9944 57.8416 41.4314 179.2940 98 S 4.4149 8.1473 112.2587 61.6693 62.0169 175.6001 99 D 4.6356 8.1637 120.9007 56.5359 40.8616 178.5313 100 L 3.9495 7.8989 119.2356 57.2726 41.8527 178.6895 101 F 3.0707 9.0859 121.2583 60.7219 38.9349 177.2502 102 R 3.6380 7.4189 117.4085 59.6424 30.0885 177.6926 103 M 4.1269 8.1095 116.6955 58.8102 32.0334 178.5538 104 F 4.4131 7.8565 115.8908 59.7962 40.4184 177.0935 105 D 4.8478 7.3097 121.7717 53.4264 38.1831 176.4228 106 K 3.8974 8.1847 123.7216 58.9834 32.5037 178.0902 107 N 4.4636 9.6893 113.6997 52.6510 37.4700 174.4705 108 A 3.9762 7.5105 121.0246 53.3106 16.7738 177.7321 109 D 4.5061 8.8529 120.3675 55.6383 40.1831 177.2117 110 G 4.1300 10.3234 109.2401 45.0163 0.0000 172.7724 111 Y 4.8861 7.8893 114.0683 56.6904 42.3889 174.1873 112 I 4.1391 8.7898 125.3689 60.1410 39.0986 174.4466 113 D 5.0195 8.5771 129.3034 51.3493 42.3415 176.7675 114 L 3.9697 7.9634 119.5724 58.8326 42.0951 178.3784 115 E 4.0456 8.0941 118.0634 59.2814 29.6656 178.2624 116 E 3.8938 8.5299 118.7143 59.3629 29.4910 178.8577 117 L 3.8802 8.5482 120.9577 58.2823 41.4601 179.1151 118 K 3.8562 7.9510 117.9309 59.6738 31.9920 179.1422 119 I 3.8454 7.6657 119.1891 64.7458 36.8372 178.1638 120 M 3.8078 7.6313 117.9159 58.2435 32.0205 178.4501 121 L 4.0666 8.0280 119.3219 58.2558 41.7231 178.8087 122 Q 3.8611 9.2692 119.2979 59.4782 28.7167 178.2619 123 A 4.0296 8.1769 122.3566 54.5685 18.6128 178.9192 124 T 3.9307 7.5300 111.5022 66.0490 67.4791 173.3888 125 G 3.6864 7.3566 111.5274 46.0589 0.0000 174.0367 126 E 4.1870 7.8118 118.6874 55.7648 30.3029 176.0278 127 T 4.1918 8.1860 116.7421 63.0992 68.7063 175.6083 128 I 4.1774 8.0834 128.9065 59.7251 36.1743 175.6069 129 T 4.1081 7.9663 115.5762 61.0839 69.3411 175.9425 130 E 4.1103 8.7175 122.3890 58.5254 29.3418 179.1111 131 D 4.4066 7.8852 119.3853 56.9899 41.3044 177.7212 132 D 4.4437 7.7525 119.1030 58.1452 40.9459 178.6451 133 I 3.7379 7.4784 119.1640 65.3454 37.0548 178.1481 134 E 4.1058 8.2815 118.7181 58.8205 29.3050 179.4051 135 E 4.1305 8.7433 119.6492 59.0616 29.4513 178.5255 136 L 4.1451 8.6487 119.3859 58.2660 41.6095 179.0344 137 M 3.9064 7.9211 117.7985 59.0972 31.8811 178.5706 138 K 3.6508 7.5202 114.8469 58.8718 32.3360 178.2972 139 D 4.7099 8.2831 117.0691 55.5547 41.2566 176.9558 140 G 3.8321 7.2701 102.7649 46.1099 0.0000 174.0193 141 D 4.8796 8.7461 122.6813 53.9986 38.9574 176.5338 142 K 4.0156 8.0296 123.2138 59.5097 32.7146 178.9209 143 N 4.3451 8.0565 113.3443 53.4336 38.0220 173.7099 144 N 4.2177 7.5978 116.4707 54.8507 36.8676 173.2029 145 D 4.8312 7.6816 113.2738 53.2569 40.2569 177.0434 146 G 4.0161 8.0801 104.6434 47.0017 0.0000 173.5323 147 R 4.7845 7.8437 112.6706 54.9309 32.8551 174.4220 148 I 5.1536 8.8437 123.1904 60.2795 38.9460 176.3623 149 D 5.1497 8.7919 127.3728 54.5723 43.1227 175.8243 150 Y 3.0492 8.6492 118.5250 61.3280 38.9687 178.0809 151 D 4.1216 7.9984 119.2284 57.3338 40.9808 178.5058 152 E 3.9482 8.1183 118.4675 59.5052 29.3638 178.8228 153 F 4.3888 7.8100 119.1556 61.5661 39.5398 177.0247 154 L 3.6883 7.6089 118.4231 57.5577 41.3629 178.8887 155 E 3.9563 8.3881 118.2674 58.4196 29.6196 177.8226 156 F 4.6074 8.0533 119.0485 59.8328 39.8356 175.5044 157 M 4.2072 8.0178 116.6327 54.0807 32.8908 174.7250 158 K 3.8085 7.7974 118.8199 60.1974 32.3306 175.7019 159 G 3.9425 8.8082 112.5526 45.3927 0.0000 173.7023 160 V 3.5739 7.4248 119.0276 62.9619 32.0865 175.6375 161 E 4.3513 8.5518 124.1804 56.6035 29.5181 176.0292 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 4.31 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 D 8.50 4.34 0.00 2.94 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 3 D 8.51 4.58 0.00 2.61 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 4 I 6.84 3.71 1.58 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 1.33 1.19 0.04 0.00 0.00 5 Y 7.09 4.26 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.62 3.90 0.00 1.95 1.97 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.51 7.81 7 A 7.66 4.16 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 8 A 8.10 4.30 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 9 V 7.39 3.53 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 0.99 0.00 0.00 1.00 0.00 0.00 10 E 8.19 4.04 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 11 Q 7.69 4.25 0.00 2.07 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 12 L 7.31 3.85 0.00 1.90 1.78 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.51 4.08 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 E 8.78 4.09 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 15 E 7.81 4.06 0.00 2.16 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 2.33 0.00 16 Q 8.32 3.79 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 17 K 8.14 4.40 0.00 1.97 2.21 0.00 1.80 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.83 7.81 18 N 7.92 4.31 0.00 2.97 3.02 0.00 0.00 6.90 7.45 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 19 E 8.03 3.95 0.00 1.98 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 0.00 2.13 2.27 0.00 20 F 8.20 4.57 0.00 3.52 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 21 K 9.70 4.52 0.00 1.77 2.07 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.69 7.81 22 A 8.19 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.05 1.64 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 24 F 9.04 3.63 0.00 2.94 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 25 D 9.22 4.67 0.00 3.04 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 26 I 7.68 3.96 1.92 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 1.46 0.79 1.11 0.00 0.00 27 F 7.76 4.49 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.04 3.49 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 0.88 0.00 0.00 -0.00 0.00 0.00 29 L 6.95 3.94 0.00 1.78 1.70 0.92 1.48 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 30 G 8.54 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 31 A 7.85 4.62 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.90 3.93 0.00 1.92 1.98 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 2.29 2.30 0.00 33 D 8.12 4.31 0.00 2.63 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 34 G 8.19 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 35 S 7.54 4.90 0.00 4.05 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 36 I 8.83 3.61 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.01 0.75 0.00 0.00 37 S 8.10 4.95 0.00 3.79 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 38 T 8.51 3.76 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 39 K 8.06 3.74 0.00 1.79 1.79 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.52 7.81 40 E 7.63 3.76 0.00 1.75 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 2.12 2.15 0.00 41 L 8.21 4.18 0.00 1.77 1.87 1.16 1.01 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 42 G 8.37 3.58 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 0.00 0.00 0.00 43 K 7.67 3.88 0.00 1.76 2.03 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.50 7.81 44 V 7.66 3.80 2.50 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 1.00 0.00 0.00 1.30 0.00 0.00 45 M 8.17 4.03 0.00 2.10 2.36 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 2.67 2.92 0.00 46 R 8.17 3.93 0.00 1.92 2.01 0.00 3.19 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 47 M 7.84 4.16 0.00 2.02 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.61 0.00 48 L 7.64 4.34 0.00 1.76 1.70 0.93 0.89 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 *51 N 7.84 4.58 0.00 2.69 2.87 0.00 0.00 6.98 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.54 0.00 2.24 2.09 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 53 T 8.45 4.23 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 1.34 0.00 0.00 54 P 0.00 4.29 0.00 2.29 2.29 0.00 3.75 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 2.07 2.05 0.00 55 E 8.14 4.06 0.00 2.04 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 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0.00 0.00 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 0.90 0.00 0.00 65 D 7.23 4.67 0.00 2.93 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 66 E 9.26 4.50 0.00 2.20 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 0.00 2.36 2.23 0.00 67 D 8.46 4.49 0.00 2.83 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 68 G 8.10 4.08 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 0.00 69 S 9.54 4.09 0.00 3.90 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 0.00 70 G 8.59 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 71 T 7.63 4.89 4.30 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 1.23 0.00 0.00 72 V 8.84 4.64 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.01 0.00 0.00 73 D 9.86 5.16 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.98 3.72 0.00 2.31 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.39 4.54 0.00 2.74 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 76 E 8.00 4.08 0.00 2.42 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 2.43 2.42 0.00 77 F 9.92 4.23 0.00 3.41 3.39 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 78 L 7.94 3.03 0.00 1.43 1.45 0.41 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.41 3.38 2.17 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 0.87 0.00 0.00 0.93 0.00 0.00 80 M 7.86 3.79 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 81 M 6.98 3.73 0.00 1.39 1.13 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.43 0.00 82 V 7.11 3.53 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 0.88 0.00 0.00 0.84 0.00 0.00 83 R 7.47 3.59 0.00 1.51 1.93 0.00 3.18 0.00 0.00 2.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.53 0.00 84 S 7.40 4.08 0.00 3.77 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 85 M 7.68 4.37 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 86 K 7.28 4.38 0.00 1.81 1.81 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.62 7.81 87 D 8.71 4.94 0.00 2.61 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 88 D 7.68 4.90 0.00 2.72 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 89 S 7.72 4.21 0.00 4.00 4.01 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 90 K 8.30 4.12 0.00 1.76 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.57 7.81 91 G 8.16 4.09 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 0.00 0.00 0.00 92 K 8.10 4.70 0.00 1.65 1.67 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.26 7.81 93 S 8.18 4.42 0.00 4.10 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 94 E 8.80 3.90 0.00 2.04 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 2.55 2.42 0.00 95 E 8.05 4.01 0.00 2.03 1.98 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 2.32 2.39 0.00 96 E 8.48 4.11 0.00 2.05 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 2.33 2.38 0.00 97 L 8.06 4.10 0.00 1.69 1.67 0.62 0.53 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 98 S 8.15 4.41 0.00 4.33 4.23 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 99 D 8.16 4.64 0.00 2.95 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 0.00 100 L 7.90 3.95 0.00 2.03 1.78 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.09 3.07 0.00 3.20 3.34 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 0.00 102 R 7.42 3.64 0.00 1.74 2.14 0.00 3.36 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 1.63 1.65 0.00 103 M 8.11 4.13 0.00 2.13 2.48 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 2.69 2.85 0.00 104 F 7.86 4.41 0.00 2.53 2.86 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 0.00 105 D 7.31 4.85 0.00 2.17 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 0.00 0.00 0.00 106 K 8.18 3.90 0.00 1.88 1.82 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.32 7.81 107 N 9.69 4.46 0.00 2.67 2.92 0.00 0.00 7.23 7.14 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 0.00 108 A 7.51 3.98 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 0.00 109 D 8.85 4.51 0.00 2.85 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 10.32 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 0.00 111 Y 7.89 4.89 0.00 3.17 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 0.00 112 I 8.79 4.14 1.42 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.02 1.16 0.00 0.00 113 D 8.58 5.02 0.00 2.76 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 0.00 114 L 7.96 3.97 0.00 1.46 1.76 0.91 0.92 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 0.00 115 E 8.09 4.05 0.00 2.05 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 2.35 2.38 0.00 116 E 8.53 3.89 0.00 2.28 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 2.29 2.37 0.00 117 L 8.55 3.88 0.00 1.84 1.93 0.99 0.25 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 0.00 118 K 7.95 3.86 0.00 2.01 1.82 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.62 7.81 119 I 7.67 3.85 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.74 0.86 0.00 0.00 120 M 7.63 3.81 0.00 1.22 1.79 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.33 0.00 121 L 8.03 4.07 0.00 1.77 1.70 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 9.27 3.86 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 123 A 8.18 4.03 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 0.00 124 T 7.53 3.93 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 1.30 0.00 0.00 125 G 7.36 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.81 4.19 0.00 1.97 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 2.32 2.28 0.00 127 T 8.19 4.19 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 0.00 128 I 8.08 4.18 1.87 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 1.47 0.51 0.91 0.00 0.00 129 T 7.97 4.11 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 130 E 8.72 4.11 0.00 2.03 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 2.40 2.40 0.00 131 D 7.89 4.41 0.00 2.69 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 0.00 132 D 7.75 4.44 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.48 3.74 2.04 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 1.53 1.05 0.91 0.00 0.00 134 E 8.28 4.11 0.00 2.01 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 0.00 2.33 2.53 0.00 135 E 8.74 4.13 0.00 2.17 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 2.51 2.51 0.00 136 L 8.65 4.15 0.00 1.78 2.06 1.01 0.99 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 0.00 137 M 7.92 3.91 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 138 K 7.52 3.65 0.00 1.97 1.88 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.60 7.81 139 D 8.28 4.71 0.00 2.87 3.13 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 0.00 140 G 7.27 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 0.00 0.00 0.00 141 D 8.75 4.88 0.00 2.69 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 0.00 142 K 8.03 4.02 0.00 1.81 1.87 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.70 1.40 7.81 143 N 8.06 4.35 0.00 2.83 2.97 0.00 0.00 7.07 9.14 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 0.00 144 N 7.60 4.22 0.00 2.88 2.90 0.00 0.00 6.92 8.35 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 0.00 145 D 7.68 4.83 0.00 2.72 2.66 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 0.00 146 G 8.08 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 0.00 0.00 0.00 147 R 7.84 4.78 0.00 1.81 1.81 0.00 2.29 0.00 0.00 2.84 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 148 I 8.84 5.15 2.06 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.50 0.96 0.00 0.00 149 D 8.79 5.15 0.00 2.77 2.72 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 0.00 150 Y 8.65 3.05 0.00 2.49 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.00 4.12 0.00 2.74 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 0.00 152 E 8.12 3.95 0.00 2.19 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 2.43 2.52 0.00 153 F 7.81 4.39 0.00 3.35 3.23 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 0.00 154 L 7.61 3.69 0.00 1.70 1.44 0.26 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.39 3.96 0.00 1.93 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 2.36 0.00 156 F 8.05 4.61 0.00 3.17 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 0.00 157 M 8.02 4.21 0.00 1.67 1.50 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.22 0.00 158 K 7.80 3.81 0.00 1.75 1.77 0.00 1.46 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.32 7.81 159 G 8.81 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 0.00 160 V 7.42 3.57 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 0.71 0.00 0.00 0.71 0.00 0.00 161 E 8.55 4.35 0.00 1.97 1.82 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 2.54 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.