NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4851 8.1927 116.8061 57.7891 64.5877 175.3405 -1 N 4.3087 9.2357 127.9119 57.4568 38.0889 174.0596 0 A 4.0043 8.1892 121.9521 55.3264 18.9942 178.7199 1 F 4.1864 8.3173 118.4398 61.7277 39.4991 176.6753 2 H 3.9831 7.9609 118.3714 59.1125 29.6442 176.9962 3 Q 3.8919 7.9649 120.9492 59.1298 28.8421 178.3630 4 I 3.6356 7.4536 120.2677 64.3700 37.2664 178.2008 5 S 3.7801 7.6289 113.9426 61.4621 62.1543 176.3197 6 S 4.0079 8.2354 117.8802 61.8320 62.3763 177.1191 7 R 3.9624 7.8225 119.2240 58.8668 29.9180 178.8208 8 I 3.8225 7.5625 118.3755 64.1911 37.8614 177.7506 9 Q 3.9812 7.6630 118.4714 58.8601 28.8737 177.8046 10 K 4.1785 7.6756 117.7209 57.0437 32.7940 177.4701 11 S 4.2636 7.1055 113.4871 58.5131 62.7574 173.5080 12 I 4.5774 8.2417 117.5062 59.7374 38.3256 174.6663 13 D 4.8391 7.8791 120.5434 52.1043 43.8856 176.1023 14 V 3.5720 8.3841 126.3175 66.4704 31.6919 177.6054 15 D 4.3497 8.1425 118.0237 57.3344 40.5123 178.5202 16 E 3.8837 8.3311 119.3652 59.2262 29.6409 178.6837 17 V 3.6146 7.9176 118.4643 66.2774 31.5027 178.0237 18 L 4.0469 8.1726 118.4367 57.9178 41.4059 179.5606 19 R 3.9566 8.3190 118.3667 59.4185 30.0098 179.1506 20 L 4.0284 8.3337 118.9224 57.8078 41.5822 179.0439 21 C 4.3349 8.5958 116.9538 63.1068 28.2345 176.2413 22 A 4.0312 8.1760 121.8619 55.1124 18.0422 178.9775 23 E 3.9700 8.5087 118.3239 59.6489 29.5643 178.8571 24 G 3.9385 8.6680 105.6658 48.4049 0.0000 175.3978 25 L 3.8595 7.7737 121.7888 57.7826 41.6333 178.6915 26 H 4.7811 8.8694 120.1936 58.6244 29.5594 176.9347 27 D 4.3276 8.4366 121.7787 57.2896 41.0608 178.0428 28 V 4.0284 8.0559 117.4446 63.7930 32.1084 176.3050 29 L 4.3760 7.9624 116.7694 53.8613 43.1521 177.1279 30 G 3.6938 8.1437 106.4198 45.7144 0.0000 172.9786 31 Y 4.5549 7.3855 117.2828 57.3062 38.9320 176.6840 32 E 4.2209 9.2969 124.0360 58.9444 31.1989 177.3272 33 R 5.1443 8.3639 117.8552 54.4002 34.4540 174.9500 34 V 4.3847 9.0964 123.4599 61.4957 34.0384 173.5013 35 N 5.6093 9.3294 126.3882 51.6238 41.3673 174.2232 36 I 4.6904 8.5939 122.8962 59.5801 40.8116 174.7594 37 L 5.4058 8.4288 125.4674 51.6409 46.0796 175.0382 37 A 5.3858 8.5088 127.4674 49.0409 22.7796 175.2382 40 D 4.7927 8.3567 119.4746 52.6115 41.1473 177.7224 41 T 3.7622 8.6516 115.2380 66.8522 68.3666 175.5775 42 A 4.1453 7.9039 120.7161 52.2451 18.8818 176.8999 43 R 3.8008 7.9537 114.1193 57.9037 28.0499 176.7072 44 T 4.6134 8.3589 105.1926 61.4817 70.6521 173.5465 45 S 5.1116 7.9737 117.1832 57.2590 68.0999 172.5214 46 L 5.0902 8.6944 121.2655 52.9220 44.7592 175.9346 47 S 5.3150 8.5386 117.1261 55.5104 65.8556 173.1924 48 F 4.4956 8.7863 123.9187 58.0144 39.5501 175.1317 49 V 4.4582 9.0215 124.3529 63.3464 34.1066 175.4465 50 A 4.7640 7.9674 119.9126 49.7068 22.3407 175.8732 51 A 5.4602 7.8684 120.2630 50.0433 18.8215 176.2993 52 V 3.6295 8.2713 123.3195 63.5785 32.6466 176.9433 53 G 4.4189 8.9071 114.3568 46.7123 0.0000 172.7760 54 T 4.4269 7.5297 116.1056 61.5607 69.0898 174.2467 55 A 4.3191 8.4042 129.0811 51.8424 20.0406 175.9543 56 D 4.6095 8.6767 115.7087 55.1987 38.4347 174.0562 57 F 4.8440 7.7659 120.4338 56.5053 41.4146 173.3148 58 N 4.4799 8.3533 126.9980 50.8917 39.8856 172.4434 59 P 3.5385 0.0000 0.0000 64.4469 31.7113 176.4738 60 A 3.8097 7.7220 119.8104 53.5261 18.2459 177.8389 61 G 3.8055 8.8900 111.0453 45.3546 0.0000 173.5887 62 V 3.8189 8.2924 120.7274 63.0719 31.7475 174.8835 63 V 4.6227 8.2098 121.0635 59.5785 33.9347 175.5334 64 L 4.7032 8.6014 124.1207 51.8099 44.9789 174.2899 65 P 4.4687 0.0000 0.0000 62.7255 31.8997 177.0705 66 L 4.4448 8.2111 128.1558 53.7102 39.7233 175.2885 67 D 4.5971 7.4389 123.2764 51.9763 41.8430 177.0463 68 Q 4.0352 8.6897 114.0703 59.0904 29.0492 178.4914 69 R 3.9750 8.3808 118.4209 58.6635 30.4638 178.6077 70 G 3.0198 7.5078 106.1437 45.1376 0.0000 175.0087 71 G 3.9363 7.6987 109.2883 44.1420 0.0000 177.4721 72 V 2.8869 8.8319 123.9444 64.1059 30.8499 178.1828 73 I 3.5852 7.2569 120.1135 64.6175 36.9815 178.4232 74 T 4.0048 7.5415 115.9929 66.5154 68.1959 176.5783 75 K 3.8493 7.5717 120.4207 59.4819 31.9183 178.7167 76 C 4.1893 7.9000 118.7825 62.7798 31.2545 175.6664 77 F 3.9616 7.7762 117.3076 60.8914 38.5338 177.5538 78 T 4.2037 8.0367 114.8472 65.6304 68.5014 175.7159 79 D 4.8537 8.2324 117.5293 51.9113 40.6265 176.0729 80 R 3.8189 8.1235 118.3500 57.4555 28.3965 176.0518 81 Q 4.4275 7.5848 113.6126 54.2847 30.6762 175.5243 82 V 4.1369 7.8949 119.9863 62.9431 32.4751 175.0523 83 Y 4.5638 8.5874 126.4788 56.3885 41.5291 173.8587 *85 I 3.7833 8.0722 119.3354 62.0150 38.0907 176.6338 86 D 4.1743 9.1609 127.2325 55.6032 40.0121 176.6884 87 D 4.6410 10.6100 126.1617 51.8448 42.2424 175.9218 88 V 3.8092 8.8564 128.7046 64.1104 31.4492 178.4123 89 S 4.2757 8.2247 114.1546 60.2063 63.1639 174.6377 90 A 4.2441 8.2335 123.4730 52.4234 18.2739 175.9575 91 Y 4.2829 7.1036 113.1544 55.0576 41.0146 173.5157 92 P 4.4597 0.0000 0.0000 62.6756 31.0343 178.0129 93 T 3.9905 8.4297 109.5248 64.6090 69.1353 175.5824 94 D 4.3787 8.1712 119.8578 54.0421 40.1903 178.0071 95 F 4.1299 8.8343 120.6164 60.4973 39.3407 175.9276 96 R 4.3049 7.5518 121.7192 56.5722 30.9023 175.9484 97 L 3.9971 8.5474 126.4191 55.1326 42.5161 177.1077 98 Q 4.4963 8.7406 123.6641 54.2324 31.4847 174.9933 99 S 4.8883 8.7608 114.3581 57.6146 63.0730 172.7051 100 P 4.5524 0.0000 0.0000 64.3940 31.0706 177.8649 101 Y 4.0724 8.2082 117.5034 61.0225 37.7440 177.0594 102 D 4.6978 8.4831 117.9090 54.1968 39.6051 176.9441 103 A 4.6299 7.5331 122.4872 51.9625 19.3035 176.6941 104 I 4.2627 7.2770 119.6588 60.3215 39.3581 176.7249 105 R 3.8134 8.4323 125.3626 59.3291 29.6460 178.6108 106 A 4.0889 7.3986 120.1760 53.9332 18.3533 178.4901 107 L 4.4425 7.6965 114.2023 55.0026 42.2192 177.8207 108 R 4.3737 7.4756 117.7114 55.3461 30.5272 176.4936 109 S 4.4234 7.3107 113.5807 58.3435 63.2465 173.6650 110 K 4.6310 8.7260 122.9885 56.7759 33.2355 176.4261 111 S 5.0080 8.0448 112.4348 55.8147 65.8032 173.5894 112 F 4.8448 7.4482 117.5120 57.1972 41.0008 172.7820 113 V 4.7840 8.6306 118.9379 61.2363 34.4213 173.9445 114 I 4.9921 8.9850 128.7225 59.7436 39.8754 174.1358 115 C 5.1815 9.1991 127.2830 56.7916 34.3181 171.5981 116 P 4.7460 0.0000 0.0000 62.8001 32.5484 175.5554 117 I 4.4793 8.9776 122.9222 59.7650 39.2935 174.6950 118 V 4.8626 8.4592 127.1640 60.9988 33.8142 174.9425 119 V 4.3669 8.2874 126.8118 62.0766 34.2514 175.3379 120 K 4.1249 9.5743 125.6710 57.7657 29.3312 176.0440 121 G 3.9380 8.6027 102.6702 45.9375 0.0000 173.4668 122 E 4.5211 8.0448 119.3020 53.6460 32.4269 174.5131 123 A 4.5975 8.8182 129.7959 52.3569 18.7035 176.7015 124 I 4.4999 8.5488 116.7542 61.0684 39.2511 175.2961 125 G 4.3211 7.4034 108.5718 46.4977 0.0000 172.3579 126 V 5.0623 8.1477 111.2786 59.8126 35.9853 174.9158 127 F 4.6997 9.4955 122.3570 56.0568 41.0737 174.7360 128 A 5.1853 9.2335 125.6945 50.2489 21.3542 175.0014 129 V 5.0866 8.8814 122.8319 61.6173 34.9163 174.1932 130 D 5.0824 8.9320 124.9169 51.6704 43.0064 175.1563 131 N 5.3588 8.1357 117.5941 55.7358 38.3070 176.4157 132 R 3.8872 8.2117 119.8668 59.1429 31.2512 178.6949 133 S 4.7716 7.9940 115.0713 56.1561 62.7312 172.3595 134 S 4.2569 7.1133 127.0922 57.1251 69.0385 177.9347 *139 N 4.5820 8.6932 119.4971 52.4897 39.3165 173.7252 140 D 4.3949 8.3692 119.0545 57.5797 40.7222 178.7641 141 T 4.0250 7.9052 113.1315 64.6888 67.4040 176.1538 142 D 4.4720 8.2461 120.8670 57.2185 40.8846 178.5780 143 V 3.5343 7.7920 118.7521 66.3375 31.5347 177.9046 144 D 4.4684 7.9791 117.9669 57.5187 40.4655 178.9910 145 T 3.9826 7.8146 116.0796 66.6465 68.4702 176.8855 146 I 3.6285 7.7323 121.7397 64.2386 37.0860 178.5052 147 K 3.7746 8.5121 119.6373 59.3470 31.8847 178.5729 148 L 3.8084 7.9238 120.3994 58.7785 41.8309 179.2785 149 F 3.9139 8.1359 117.0474 60.3771 38.8348 177.6496 150 A 3.9358 7.8528 120.5481 54.8549 17.9979 179.4646 151 D 4.2781 8.3509 117.9933 57.7275 40.8695 178.9525 152 Q 3.9370 8.1240 118.2359 58.8235 28.6045 178.6927 153 A 4.0836 8.4451 122.1719 55.3215 18.4663 179.6531 154 S 4.0590 8.2030 111.4726 61.7579 62.4654 176.6031 155 S 4.1277 8.3677 117.8099 61.5358 62.5120 176.5460 156 A 4.0128 8.4336 123.8844 55.0327 18.0730 179.8610 157 I 3.6581 8.0773 118.6642 64.4364 37.1281 178.4975 158 V 3.5674 7.6854 119.0595 66.1960 31.4295 177.8562 159 R 3.8741 8.1366 118.1945 59.6060 29.6714 178.5821 160 I 3.7180 7.9374 118.6194 64.4051 37.2077 177.6941 161 N 4.4448 7.9458 116.0660 56.3989 38.4869 176.5651 162 L 4.0501 7.9019 120.4970 58.0859 42.1636 177.0857 163 L 4.2914 7.7135 123.1235 55.2933 42.2227 175.9701 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 -2 S 8.19 4.49 0.00 3.94 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 -1 N 9.24 4.31 0.00 2.90 2.88 0.00 0.00 6.79 7.82 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 A 8.19 4.00 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 1 F 8.32 4.19 0.00 3.25 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 2 H 7.96 3.98 0.00 3.55 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.96 3.89 0.00 2.40 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 4 I 7.45 3.64 1.93 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 1.50 0.90 1.01 0.00 0.00 5 S 7.63 3.78 0.00 3.09 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.24 4.01 0.00 3.82 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 7 R 7.82 3.96 0.00 1.76 1.98 0.00 3.15 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 8 I 7.56 3.82 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.99 0.00 0.00 9 Q 7.66 3.98 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 10 K 7.68 4.18 0.00 1.75 1.83 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.70 7.81 11 S 7.11 4.26 0.00 3.99 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 12 I 8.24 4.58 1.87 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 1.30 0.85 0.91 0.00 0.00 13 D 7.88 4.84 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.57 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 1.10 0.00 0.00 0.94 0.00 0.00 15 D 8.14 4.35 0.00 2.85 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 16 E 8.33 3.88 0.00 2.07 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 0.00 2.31 2.32 0.00 17 V 7.92 3.61 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 1.13 0.00 0.00 0.95 0.00 0.00 18 L 8.17 4.05 0.00 1.86 1.64 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.32 3.96 0.00 1.83 1.99 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 20 L 8.33 4.03 0.00 1.89 1.77 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.60 4.33 0.00 3.40 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.18 4.03 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 23 E 8.51 3.97 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.64 0.00 24 G 8.67 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 25 L 7.77 3.86 0.00 1.78 1.81 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.87 4.78 0.00 3.25 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.44 4.33 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.06 4.03 2.37 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 0.96 0.00 0.00 1.06 0.00 0.00 29 L 7.96 4.38 0.00 1.87 1.47 0.98 1.19 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 30 G 8.14 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 31 Y 7.39 4.55 0.00 3.08 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 32 E 9.30 4.22 0.00 2.23 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 2.37 2.48 0.00 33 R 8.36 5.14 0.00 1.88 1.84 0.00 3.26 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.98 0.00 34 V 9.10 4.38 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 1.09 0.00 0.00 1.05 0.00 0.00 35 N 9.33 5.61 0.00 2.76 2.82 0.00 0.00 6.45 6.91 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 36 I 8.59 4.69 1.67 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 -0.09 0.45 0.59 0.00 0.00 37 L 8.43 5.41 0.00 1.62 1.49 0.59 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.51 5.39 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 40 D 8.36 4.79 0.00 2.73 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 41 T 8.65 3.76 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 1.21 0.00 0.00 42 A 7.90 4.15 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 43 R 7.95 3.80 0.00 1.95 1.98 0.00 3.32 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 44 T 8.36 4.61 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 1.18 0.00 0.00 45 S 7.97 5.11 0.00 3.68 3.66 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 46 L 8.69 5.09 0.00 1.43 1.40 1.03 0.01 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 47 S 8.54 5.32 0.00 3.84 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 48 F 8.79 4.50 0.00 3.08 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 49 V 9.02 4.46 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 0.81 0.00 0.00 0.93 0.00 0.00 50 A 7.97 4.76 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 51 A 7.87 5.46 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 52 V 8.27 3.63 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 0.88 0.00 0.00 0.93 0.00 0.00 53 G 8.91 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 0.00 0.00 0.00 0.00 54 T 7.53 4.43 4.34 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 1.14 0.00 0.00 55 A 8.40 4.32 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 56 D 8.68 4.61 0.00 2.84 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 57 F 7.77 4.84 0.00 2.86 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 58 N 8.35 4.48 0.00 2.52 2.55 0.00 0.00 7.27 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 59 P 0.00 3.54 0.00 1.92 1.42 0.00 3.50 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.35 0.00 60 A 7.72 3.81 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 61 G 8.89 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 0.00 0.00 0.00 62 V 8.29 3.82 2.26 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 1.09 0.00 0.00 0.96 0.00 0.00 63 V 8.21 4.62 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 0.74 0.00 0.00 0.90 0.00 0.00 64 L 8.60 4.70 0.00 1.22 0.56 0.52 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.47 0.00 2.11 2.07 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 66 L 8.21 4.44 0.00 1.54 1.49 0.21 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.44 4.60 0.00 2.86 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 68 Q 8.69 4.04 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 69 R 8.38 3.98 0.00 2.12 2.24 0.00 3.34 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 70 G 7.51 3.02 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 71 G 7.70 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 72 V 8.83 2.89 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 -0.19 0.00 0.00 73 I 7.26 3.59 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 1.10 0.00 0.00 74 T 7.54 4.00 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 1.17 0.00 0.00 75 K 7.57 3.85 0.00 1.28 1.56 0.00 1.57 0.00 0.00 0.67 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 76 C 7.90 4.19 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 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0.99 0.47 0.39 0.00 0.00 86 D 9.16 4.17 0.00 2.80 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 87 D 10.61 4.64 0.00 2.76 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 88 V 8.86 3.81 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 0.92 0.00 0.00 1.14 0.00 0.00 89 S 8.22 4.28 0.00 4.07 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 90 A 8.23 4.24 1.14 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 0.00 0.00 91 Y 7.10 4.28 0.00 2.86 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 0.00 0.00 0.00 92 P 0.00 4.46 0.00 2.49 2.03 0.00 2.68 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 93 T 8.43 3.99 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 1.23 0.00 0.00 94 D 8.17 4.38 0.00 2.89 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.83 4.13 0.00 3.21 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 96 R 7.55 4.30 0.00 2.15 1.86 0.00 3.13 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 97 L 8.55 4.00 0.00 1.57 1.60 0.90 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 98 Q 8.74 4.50 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 99 S 8.76 4.89 0.00 3.93 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 0.00 100 P 0.00 4.55 0.00 2.23 2.25 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 101 Y 8.21 4.07 0.00 3.14 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 0.00 102 D 8.48 4.70 0.00 2.95 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 0.00 103 A 7.53 4.63 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 0.00 104 I 7.28 4.26 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.14 0.61 0.00 0.00 105 R 8.43 3.81 0.00 1.61 1.88 0.00 3.08 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 106 A 7.40 4.09 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 0.00 107 L 7.70 4.44 0.00 1.93 1.73 1.07 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.48 4.37 0.00 1.91 1.96 0.00 3.32 0.00 0.00 3.10 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 109 S 7.31 4.42 0.00 3.90 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 0.00 110 K 8.73 4.63 0.00 1.98 1.90 0.00 1.66 0.00 0.00 1.94 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.54 7.81 111 S 8.04 5.01 0.00 3.89 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 0.00 112 F 7.45 4.84 0.00 3.18 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 0.00 113 V 8.63 4.78 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 1.06 0.00 0.00 0.95 0.00 0.00 114 I 8.98 4.99 2.01 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.88 0.00 0.00 115 C 9.20 5.18 0.00 2.91 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 0.00 116 P 0.00 4.75 0.00 2.03 1.91 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 117 I 8.98 4.48 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 1.01 0.00 0.00 118 V 8.46 4.86 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 0.78 0.00 0.00 0.91 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2.96 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 0.00 128 A 9.23 5.19 1.11 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 0.00 0.00 129 V 8.88 5.09 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 0.82 0.00 0.00 0.95 0.00 0.00 130 D 8.93 5.08 0.00 3.12 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 0.00 131 N 8.14 5.36 0.00 2.79 3.00 0.00 0.00 7.00 7.66 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 0.00 132 R 8.21 3.89 0.00 1.88 1.99 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 133 S 7.99 4.77 0.00 4.07 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 0.00 134 S 7.11 4.26 0.00 3.80 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 *139 N 8.69 4.58 0.00 3.00 3.03 0.00 0.00 5.96 8.07 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 0.00 140 D 8.37 4.39 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 7.91 4.02 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 0.00 142 D 8.25 4.47 0.00 3.14 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 0.00 143 V 7.79 3.53 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 0.82 0.00 0.00 0.95 0.00 0.00 144 D 7.98 4.47 0.00 2.91 2.69 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 0.00 145 T 7.81 3.98 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 146 I 7.73 3.63 1.89 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.37 0.69 0.00 0.00 147 K 8.51 3.77 0.00 1.90 1.82 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.55 7.81 148 L 7.92 3.81 0.00 1.68 1.94 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.14 3.91 0.00 2.91 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 0.00 150 A 7.85 3.94 1.15 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 0.00 151 D 8.35 4.28 0.00 2.84 2.69 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 0.00 152 Q 8.12 3.94 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 153 A 8.45 4.08 1.63 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 0.00 0.00 154 S 8.20 4.06 0.00 3.99 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 0.00 155 S 8.37 4.13 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.43 4.01 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 0.00 157 I 8.08 3.66 2.03 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 1.44 1.11 0.94 0.00 0.00 158 V 7.69 3.57 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 1.08 0.00 0.00 0.99 0.00 0.00 159 R 8.14 3.87 0.00 1.92 2.14 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 160 I 7.94 3.72 1.95 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 1.53 0.66 0.98 0.00 0.00 161 N 7.95 4.44 0.00 2.97 2.90 0.00 0.00 7.02 7.15 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 0.00 162 L 7.90 4.05 0.00 1.61 1.89 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 163 L 7.71 4.29 0.00 1.70 1.66 0.92 0.87 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 * Residues marked with a * may have inaccurate shift predictions.