NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5066 8.3049 120.6170 54.8923 33.7791 174.7747 1 Q 4.2553 8.5991 121.2559 56.2279 29.3237 174.6960 2 G 4.2782 9.3147 109.7802 45.1171 0.0000 170.9902 3 V 4.7473 8.1978 119.0741 60.8672 34.2584 174.3592 4 N 4.8737 8.6305 123.9788 51.4568 42.3051 173.1927 5 I 4.7635 7.9190 123.6865 59.8623 39.4326 174.5342 6 Y 4.8953 8.8750 122.5399 56.4372 42.9547 173.8682 7 N 5.4585 8.9217 117.4900 51.7423 42.1414 174.0087 8 I 4.7174 9.1933 125.2652 59.5080 40.1788 174.9416 9 S 5.1881 8.8217 122.1254 56.7360 64.8354 173.5315 10 A 3.3528 9.0418 124.9393 54.1937 18.4462 178.6943 11 G 4.5370 8.9857 109.7995 46.2198 0.0000 172.5092 12 T 4.9297 7.5725 109.3401 59.7529 72.8998 172.2991 13 S 5.2887 8.4418 115.1205 56.8401 66.7578 173.1791 14 V 4.5316 9.1290 118.8322 61.3312 35.1141 173.4469 15 D 4.9293 8.5885 126.3029 53.1864 42.0004 176.1614 16 L 4.0644 8.4555 124.0357 54.4153 41.6669 177.4647 17 A 4.0535 9.8351 127.5972 54.1916 18.6107 177.3336 18 A 4.6408 7.8193 118.1061 49.2545 20.8181 173.7909 19 P 4.5525 0.0000 0.0000 63.9166 32.3529 176.0154 20 V 4.3448 8.4732 122.0506 62.3725 33.0104 174.5602 21 T 4.9868 9.8733 124.5617 60.5923 71.2513 172.1017 22 T 4.1147 8.5224 117.3131 66.0261 68.5576 175.0252 23 G 4.1269 9.7327 116.5701 45.0614 0.0000 173.0903 24 D 5.0551 8.2144 119.7933 53.8417 42.8463 175.4765 25 I 4.9648 8.5929 120.0509 59.7319 41.9275 175.1194 26 V 4.7401 8.4434 123.4271 60.5608 34.8859 173.9722 27 T 4.7695 8.8044 121.6578 61.5250 71.8416 172.7861 28 F 5.1591 9.1529 125.0764 55.8961 41.6576 174.6900 29 F 5.0575 9.1746 122.3875 55.7137 41.4948 174.2222 30 S 4.8059 9.0696 119.5102 56.1529 64.3713 174.3021 31 S 4.7645 8.5732 119.9700 57.8130 63.3031 173.2436 32 A 4.7432 7.4149 121.1963 51.3015 22.5067 176.2671 33 L 4.9603 8.2325 121.0356 53.9859 43.1365 172.5280 34 N 4.7541 9.0875 119.7431 51.4886 40.8756 173.0741 35 L 4.6875 8.1759 126.6709 52.9952 45.1590 174.8488 *44 N 4.6437 8.9302 119.8251 53.0672 39.5422 175.8110 45 T 5.2379 8.8855 121.0211 61.1646 70.5040 172.2374 46 T 5.2869 9.1821 118.4994 60.0658 72.5781 172.5899 47 L 5.0424 8.8961 123.7732 53.1298 44.8769 175.2811 48 N 5.4782 9.0123 119.1953 51.4862 43.5739 173.2177 49 L 4.9745 8.4779 121.4382 53.1163 44.4635 175.5545 50 F 5.2694 9.6238 122.9096 55.6444 41.9000 175.6237 51 A 4.9922 8.8425 124.6624 50.2909 19.7508 178.4468 52 E 4.3015 8.9474 119.9217 58.4829 29.7929 177.4951 53 N 4.5732 8.1535 113.8849 52.8899 37.5718 175.6650 54 G 3.8480 8.2575 106.8792 45.5000 0.0000 173.8780 55 A 4.2990 8.2699 122.9114 51.9718 19.3530 177.1814 56 Y 4.0361 8.6350 119.6891 56.7886 37.3350 176.3600 57 L 4.1481 8.4441 125.1480 57.3136 42.7165 177.9747 58 L 4.4266 7.5408 120.7392 53.9815 45.5545 173.5630 59 H 5.6811 9.4682 126.8297 53.7360 32.4151 173.0157 60 I 4.2841 8.3998 125.8064 59.1960 40.3419 174.1727 61 A 4.7353 7.8861 129.1992 49.8745 21.5339 174.8404 62 F 4.3346 8.7438 122.7141 56.7136 39.7746 176.6480 63 R 4.2551 9.1417 125.6277 54.7544 29.7656 177.7161 64 L 3.9901 8.4563 125.5737 57.3574 42.2226 179.2080 65 Q 4.1157 8.0514 115.9078 59.0151 28.8361 177.1382 66 E 4.0063 8.0760 116.3372 56.3070 30.7569 175.4972 67 N 4.2449 8.4481 117.1248 53.8857 37.5907 173.1936 68 V 4.9434 7.1304 116.4130 60.4823 36.0347 174.7476 69 I 4.5676 8.6198 123.1713 59.8052 39.3449 174.8242 70 I 4.8200 8.4752 128.5873 59.8945 39.6873 174.8579 71 F 4.9890 8.7939 123.1820 55.9308 42.8546 173.5155 72 N 5.2977 8.6631 120.4349 53.3131 43.2254 172.5898 73 S 5.4264 8.5180 116.4928 57.0666 67.7526 173.0889 74 R 4.4065 8.2867 117.1724 55.7469 33.7983 174.4642 75 Q 4.4601 8.4524 125.1501 54.7442 29.6949 175.1800 76 P 4.2774 0.0000 0.0000 65.6114 31.1197 176.9380 77 D 4.8110 8.1212 114.9136 53.4794 41.5261 175.3388 78 G 4.0405 7.5135 109.2359 43.2351 0.0000 170.7136 79 P 4.5714 0.0000 0.0000 60.4547 33.5302 174.7285 80 W 4.1253 8.3030 117.9647 57.3073 29.3206 177.1220 81 L 4.7050 8.2185 125.3136 54.0566 44.0644 175.8616 82 V 3.8922 8.5621 122.5620 64.0335 31.8542 176.7039 83 E 4.9983 8.8847 126.2944 55.3290 31.6579 175.2616 84 Q 4.9906 9.1255 120.9397 54.2844 31.7210 174.8222 85 R 5.3967 8.5474 117.8822 54.5141 33.1426 174.3214 86 V 4.4939 8.6857 120.3837 61.3528 34.2783 174.6694 87 S 4.6867 8.7499 123.4584 58.7425 64.3035 170.6445 88 D 4.3269 8.7152 127.8552 54.2272 39.2938 174.7149 89 V 3.8960 8.6222 124.3628 65.8167 31.6722 177.0930 90 A 4.1227 8.2706 119.9184 55.8299 17.9422 179.2219 91 N 4.3682 8.4976 114.2595 56.5822 38.3451 177.6506 92 Q 4.0211 8.3342 118.8928 58.3181 29.2159 177.6074 93 F 4.5794 8.0350 116.1336 56.2441 39.1368 175.2903 94 A 4.2106 7.2393 123.3314 53.1942 18.3388 176.4223 95 G 3.6854 8.3141 113.7149 45.5648 0.0000 173.8865 96 I 4.6411 7.7416 120.7245 59.6406 40.6653 174.3493 97 D 4.9262 8.5920 124.1452 53.4692 43.3247 177.5750 98 G 3.9833 9.3269 108.3447 45.9518 0.0000 172.8873 99 K 4.5003 6.8531 116.7031 57.2592 35.8540 174.1153 100 A 4.7678 7.9035 120.9275 52.4617 23.2853 175.4057 101 M 4.9834 8.1883 115.5284 53.8956 35.2532 174.1647 102 V 4.8030 8.6364 120.9130 61.5745 34.7132 174.1950 103 T 4.9845 9.2647 124.5781 61.7318 71.8575 173.4654 104 V 4.9593 8.5723 124.4859 61.3031 35.1924 173.9207 105 F 5.1593 9.3124 126.5947 55.8859 41.5052 174.4273 106 D 4.5756 9.1723 124.1531 53.4858 41.6786 176.0161 107 H 4.8465 8.9570 123.2268 55.6216 28.5545 176.2888 108 G 4.2586 8.1634 117.0888 44.8153 0.0000 174.6635 109 D 4.5085 7.6800 118.6031 53.7046 40.6724 175.7151 110 K 4.9606 7.3748 117.8935 56.4674 36.2423 173.6911 111 Y 5.1562 9.4616 118.7536 56.3871 40.5280 174.8078 112 Q 4.8720 8.8960 126.3644 55.0356 30.8305 174.2113 113 V 4.9855 8.8932 127.2786 61.3091 34.0137 174.4230 114 V 4.8723 9.1462 127.7081 61.2001 34.8302 173.9961 115 I 4.4663 8.7003 129.0503 61.5811 38.7212 177.3763 116 N 4.2793 9.4019 129.2831 54.3744 36.8901 175.4290 117 E 4.5351 9.4406 125.9260 56.4295 31.9248 175.3046 118 K 4.3738 7.9465 121.9860 54.6988 33.0626 175.5602 119 T 4.4120 8.5434 124.1138 63.7876 68.7219 174.4400 120 V 4.2554 8.2236 126.0972 61.8273 33.1599 175.9466 121 I 3.8301 7.0859 118.2937 60.5839 41.0045 172.7873 122 Q 4.6709 8.7965 128.5155 54.4512 29.1258 173.3019 123 Y 4.3395 9.0707 125.5282 56.7940 39.7926 174.3509 124 T 4.2820 8.1376 124.6951 62.9101 69.0444 175.1409 125 K 4.1496 8.3964 126.4005 57.2186 32.6912 176.7970 126 Q 4.5388 8.7690 119.5965 56.2196 30.6082 176.1544 127 I 4.7009 7.7281 117.0741 59.3736 40.8951 174.3297 128 S 4.7386 9.3191 118.0601 56.2340 65.6215 172.1673 129 G 4.0119 8.0346 106.0364 43.5391 0.0000 172.4518 130 L 4.6537 8.1751 119.3882 54.0761 42.4440 175.7245 131 T 4.7805 8.6724 118.9958 63.7945 69.1046 175.0473 132 S 4.8548 9.1361 122.0093 58.2586 64.7401 173.6629 133 S 4.9866 7.5481 113.8143 58.0111 65.8831 173.7017 134 L 5.6779 8.8561 120.1259 53.6396 46.4964 175.5069 135 S 5.1178 8.9029 113.5948 57.6054 67.3019 172.8339 136 Y 4.9938 8.8269 121.1196 56.5527 41.4377 173.3735 137 N 5.0726 8.7583 124.0144 51.4957 41.6340 176.4838 138 A 4.9954 7.7580 120.7921 52.5390 21.4317 176.4527 139 T 3.5539 8.2158 113.0611 66.4086 65.7967 172.7768 140 E 3.9046 7.8177 114.3585 56.2061 29.8168 176.1586 141 E 3.9452 8.3772 118.0954 56.7607 30.2674 173.0612 142 T 3.4010 7.7893 123.8256 62.9823 68.9494 170.3431 143 S 4.6338 8.3096 120.5923 58.5672 66.2799 174.7559 144 G 4.0267 7.9395 114.0565 47.5647 0.0000 173.1449 145 F 5.7542 7.8115 116.7798 54.2801 41.9944 175.1078 146 S 4.3989 8.5776 116.4919 58.5686 63.4042 175.3005 147 T 4.6477 8.5332 115.8321 63.9166 68.2114 173.4770 148 V 5.0421 7.5381 120.1575 61.2689 34.3791 174.6333 149 V 4.4878 9.2513 127.9869 61.0865 34.0277 173.7022 150 E 5.0206 8.8529 128.4573 55.0977 31.3850 174.3003 151 A 5.0900 8.9798 128.9886 50.2191 21.6233 174.8969 152 V 4.9033 8.5549 123.3468 61.3905 34.1617 174.6765 153 T 5.0047 8.6295 117.2417 60.0400 72.4068 172.6577 154 Y 5.0372 9.3690 121.4381 55.9099 40.6091 174.8683 155 T 4.9342 7.8768 114.0384 59.2298 72.6824 174.4586 156 G 3.9837 8.8547 107.0232 46.6689 0.0000 175.2342 157 L 4.0855 8.4240 121.2044 57.1321 42.0543 177.0921 158 A 4.1940 8.1910 124.3759 52.7638 18.1565 176.9529 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 0 M 8.30 4.51 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 1 Q 8.60 4.26 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.63 0.00 0.00 0.00 0.00 0.00 2.41 2.77 0.00 2 G 9.31 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 0.00 0.00 0.00 0.00 3 V 8.20 4.75 1.97 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 0.56 0.00 0.00 0.88 0.00 0.00 4 N 8.63 4.87 0.00 2.72 2.40 0.00 0.00 6.55 7.32 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 5 I 7.92 4.76 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.39 0.83 0.00 0.00 6 Y 8.87 4.90 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.92 5.46 0.00 2.59 2.75 0.00 0.00 6.73 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 8 I 9.19 4.72 2.13 0.00 0.00 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 1.43 0.98 1.09 0.00 0.00 9 S 8.82 5.19 0.00 3.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.04 3.35 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.99 4.54 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 12 T 7.57 4.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 13 S 8.44 5.29 0.00 3.94 3.77 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 14 V 9.13 4.53 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 1.12 0.00 0.00 1.01 0.00 0.00 15 D 8.59 4.93 0.00 2.60 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 16 L 8.46 4.06 0.00 1.52 1.75 0.95 0.19 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 17 A 9.84 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.82 4.64 1.26 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 0.00 0.00 19 P 0.00 4.55 0.00 2.12 2.11 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 20 V 8.47 4.34 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 1.00 0.00 0.00 0.95 0.00 0.00 21 T 9.87 4.99 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 1.28 0.00 0.00 22 T 8.52 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 1.21 0.00 0.00 23 G 9.73 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 24 D 8.21 5.06 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.59 4.96 1.91 0.00 0.00 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 1.27 0.89 0.38 0.00 0.00 26 V 8.44 4.74 1.97 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 0.79 0.00 0.00 0.44 0.00 0.00 27 T 8.80 4.77 4.11 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 0.00 0.00 0.00 0.47 0.00 0.00 28 F 9.15 5.16 0.00 2.83 2.74 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 29 F 9.17 5.06 0.00 2.99 2.88 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 30 S 9.07 4.81 0.00 2.74 3.15 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 31 S 8.57 4.76 0.00 4.01 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 32 A 7.41 4.74 1.28 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 0.00 0.00 0.00 33 L 8.23 4.96 0.00 1.61 1.55 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.09 4.75 0.00 2.86 2.64 0.00 0.00 7.11 6.50 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 35 L 8.18 4.69 0.00 1.57 1.46 0.67 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 *44 N 8.93 4.64 0.00 2.85 2.27 0.00 0.00 6.59 7.05 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 45 T 8.89 5.24 4.11 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 0.00 0.00 0.00 0.69 0.00 0.00 46 T 9.18 5.29 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 1.11 0.00 0.00 47 L 8.90 5.04 0.00 1.33 0.93 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.01 5.48 0.00 2.64 2.25 0.00 0.00 6.60 6.89 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 49 L 8.48 4.97 0.00 1.42 1.49 0.96 0.83 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 50 F 9.62 5.27 0.00 3.02 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.84 4.99 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 52 E 8.95 4.30 0.00 1.96 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 2.29 2.26 0.00 53 N 8.15 4.57 0.00 2.86 2.91 0.00 0.00 6.21 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.26 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.27 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 56 Y 8.64 4.04 0.00 2.87 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 57 L 8.44 4.15 0.00 1.75 1.76 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.54 4.43 0.00 0.99 0.96 0.25 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 59 H 9.47 5.68 0.00 3.44 3.25 0.00 5.82 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 60 I 8.40 4.28 1.62 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 0.80 0.40 -0.10 0.00 0.00 61 A 7.89 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.74 4.33 0.00 2.70 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 63 R 9.14 4.26 0.00 1.79 1.84 0.00 3.20 0.00 0.00 3.05 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 64 L 8.46 3.99 0.00 1.58 1.67 0.80 0.90 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 65 Q 8.05 4.12 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.08 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 66 E 8.08 4.01 0.00 1.95 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 2.27 2.26 0.00 67 N 8.45 4.24 0.00 2.96 2.84 0.00 0.00 6.52 8.26 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 68 V 7.13 4.94 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 0.76 0.00 0.00 1.02 0.00 0.00 69 I 8.62 4.57 1.99 0.00 0.00 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 1.37 1.12 0.01 0.00 0.00 70 I 8.48 4.82 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.67 0.65 0.00 0.00 71 F 8.79 4.99 0.00 3.07 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 72 N 8.66 5.30 0.00 2.72 2.67 0.00 0.00 6.58 7.36 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 73 S 8.52 5.43 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.29 4.41 0.00 0.67 0.91 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.08 0.00 75 Q 8.45 4.46 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 76 P 0.00 4.28 0.00 2.17 2.35 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 77 D 8.12 4.81 0.00 2.63 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 78 G 7.51 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 0.00 0.00 0.00 79 P 0.00 4.57 0.00 2.20 2.07 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 80 W 8.30 4.13 0.00 3.20 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 81 L 8.22 4.71 0.00 1.82 1.69 0.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.56 3.89 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 0.82 0.00 0.00 0.96 0.00 0.00 83 E 8.88 5.00 0.00 2.15 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 2.23 2.35 0.00 84 Q 9.13 4.99 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 85 R 8.55 5.40 0.00 1.79 1.89 0.00 2.98 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 86 V 8.69 4.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 87 S 8.75 4.69 0.00 3.82 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 88 D 8.72 4.33 0.00 2.90 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 89 V 8.62 3.90 2.29 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 1.21 0.00 0.00 1.05 0.00 0.00 90 A 8.27 4.12 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 91 N 8.50 4.37 0.00 3.06 2.93 0.00 0.00 6.98 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 92 Q 8.33 4.02 0.00 1.78 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.81 2.61 0.00 93 F 8.03 4.58 0.00 3.31 3.15 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 94 A 7.24 4.21 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 95 G 8.31 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 96 I 7.74 4.64 1.97 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 1.35 1.04 0.97 0.00 0.00 97 D 8.59 4.93 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.33 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 0.00 0.00 0.00 99 K 6.85 4.50 0.00 1.90 1.81 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.42 7.81 100 A 7.90 4.77 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 0.00 101 M 8.19 4.98 0.00 1.87 1.50 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 2.35 2.45 0.00 102 V 8.64 4.80 2.30 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 1.20 0.00 0.00 1.14 0.00 0.00 103 T 9.26 4.98 4.18 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 0.62 0.00 0.00 104 V 8.57 4.96 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 1.13 0.00 0.00 1.07 0.00 0.00 105 F 9.31 5.16 0.00 2.81 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 0.00 106 D 9.17 4.58 0.00 2.90 2.80 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 0.00 107 H 8.96 4.85 0.00 3.32 3.24 0.00 5.69 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 0.00 108 G 8.16 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.68 4.51 0.00 2.84 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 0.00 110 K 7.37 4.96 0.00 1.95 1.91 0.00 1.45 0.00 0.00 1.84 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.51 7.81 111 Y 9.46 5.16 0.00 3.14 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 0.00 112 Q 8.90 4.87 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 113 V 8.89 4.99 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 1.20 0.00 0.00 1.11 0.00 0.00 114 V 9.15 4.87 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 1.09 0.00 0.00 1.20 0.00 0.00 115 I 8.70 4.47 1.62 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 1.24 0.61 -0.09 0.00 0.00 116 N 9.40 4.28 0.00 2.85 2.51 0.00 0.00 6.89 8.32 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 0.00 117 E 9.44 4.54 0.00 1.94 1.97 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 2.23 2.28 0.00 118 K 7.95 4.37 0.00 1.79 1.65 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.39 7.81 119 T 8.54 4.41 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 0.00 120 V 8.22 4.26 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 0.80 0.00 0.00 0.99 0.00 0.00 121 I 7.09 3.83 1.30 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.16 0.00 0.00 122 Q 8.80 4.67 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 123 Y 9.07 4.34 0.00 2.92 3.11 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 0.00 0.00 0.00 0.00 124 T 8.14 4.28 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 125 K 8.40 4.15 0.00 1.80 2.09 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.69 1.52 7.81 126 Q 8.77 4.54 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 127 I 7.73 4.70 2.00 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 1.53 0.70 0.98 0.00 0.00 128 S 9.32 4.74 0.00 3.96 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 0.00 129 G 8.03 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 0.00 0.00 0.00 130 L 8.18 4.65 0.00 1.87 1.82 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.67 4.78 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 1.28 0.00 0.00 132 S 9.14 4.85 0.00 3.88 4.11 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 0.00 0.00 0.00 0.00 133 S 7.55 4.99 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.86 5.68 0.00 1.66 1.88 0.78 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.90 5.12 0.00 4.10 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 0.00 136 Y 8.83 4.99 0.00 3.02 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.76 5.07 0.00 2.71 2.63 0.00 0.00 6.35 6.70 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 0.00 138 A 7.76 5.00 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 0.00 139 T 8.22 3.55 4.20 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 1.19 0.00 0.00 140 E 7.82 3.90 0.00 2.24 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 0.00 2.23 2.24 0.00 141 E 8.38 3.95 0.00 2.10 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 2.29 2.46 0.00 142 T 7.79 3.40 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 1.37 0.00 0.00 143 S 8.31 4.63 0.00 3.71 3.67 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 0.00 144 G 7.94 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 0.00 145 F 7.81 5.75 0.00 2.98 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 0.00 146 S 8.58 4.40 0.00 4.04 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 0.00 147 T 8.53 4.65 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 nan 0.00 0.00 148 V 7.54 5.04 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 0.92 0.00 0.00 1.01 0.00 0.00 149 V 9.25 4.49 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 1.04 0.00 0.00 0.11 0.00 0.00 150 E 8.85 5.02 0.00 2.19 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 2.37 2.44 0.00 151 A 8.98 5.09 1.22 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 0.00 152 V 8.55 4.90 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 0.67 0.00 0.00 1.03 0.00 0.00 153 T 8.63 5.00 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 1.18 0.00 0.00 154 Y 9.37 5.04 0.00 2.93 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 0.00 155 T 7.88 4.93 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 1.34 0.00 0.00 156 G 8.85 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 0.00 0.00 0.00 157 L 8.42 4.09 0.00 1.87 1.79 1.16 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.19 4.19 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 * Residues marked with a * may have inaccurate shift predictions.