NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5750 8.1927 117.1260 58.3527 65.0889 175.7014 3 D 4.2682 8.1715 120.5113 56.7555 41.1212 177.1465 4 K 4.0375 8.2962 123.9934 59.8189 32.1465 180.0965 5 F 3.1879 7.9038 120.9688 60.7912 39.2094 177.0624 6 N 4.0684 7.8465 115.6720 56.0120 38.0123 177.5288 7 Q 3.8920 7.7843 118.9621 58.6425 29.1209 178.0669 8 F 4.1270 7.9675 121.6162 61.4243 39.3763 177.0932 9 I 3.1461 7.5234 118.3826 63.7837 37.4187 177.3028 10 N 4.2449 7.4221 115.6023 55.1408 38.4773 176.6894 11 R 4.1010 7.4655 118.1132 57.0478 30.5130 177.1896 12 V 4.0478 7.1801 109.1560 60.2573 34.0042 174.9820 13 L 4.4835 7.5840 122.2764 52.7252 42.8053 176.0877 14 S 4.3147 8.6694 120.5810 59.2632 62.8128 173.2676 15 H 4.9890 8.7934 119.5900 55.7085 28.9738 174.8476 16 E 4.6503 8.2549 120.1698 54.1864 31.7216 176.6161 17 G 2.0975 7.5547 111.5791 45.8461 0.0000 174.5997 18 G 3.8945 7.7881 106.3611 45.9643 0.0000 172.8032 19 Y 4.3130 8.0997 120.6403 57.7854 39.3235 174.8941 20 A 4.0192 8.0446 127.2821 51.7767 23.0560 175.9433 *22 H 4.4657 9.1491 116.0953 55.9853 29.9013 174.9986 *27 G 3.9858 8.9397 110.5843 46.3347 0.0000 175.2850 28 G 4.0849 8.1138 104.2421 45.5148 0.0000 173.7851 29 E 4.0284 8.1995 122.3530 57.4335 30.6227 175.7742 30 T 5.2716 8.5176 122.6544 61.9520 72.7949 172.7894 31 N 5.0499 9.0887 122.4470 53.1334 42.2744 174.1909 32 W 3.5741 9.1611 123.1275 57.8799 27.3164 175.3582 33 G 4.0478 8.5736 102.9735 46.1087 0.0000 173.8209 34 I 4.4579 7.9717 121.6921 59.3248 39.0845 175.8581 35 T 4.6299 8.2536 115.6528 60.9773 71.1354 175.5013 36 K 3.9492 8.8523 123.2903 59.7730 32.1463 179.1505 37 R 3.9463 8.0050 118.2875 59.6977 30.1650 179.1462 38 T 3.8442 7.9735 114.9587 66.5043 68.4688 176.3465 39 A 4.0083 8.1107 122.6934 55.6605 18.4613 179.7540 40 Q 4.4290 8.9466 117.6881 58.5878 28.6044 178.9036 41 A 4.2044 8.1270 120.4111 53.8957 18.3597 177.6642 42 N 4.8029 7.8213 114.0953 53.0460 39.1113 176.0289 43 G 3.8260 8.1340 106.4674 45.4763 0.0000 173.8999 44 Y 4.3296 8.1220 122.0052 56.8639 38.0582 175.2238 45 N 5.2739 8.2080 128.1781 53.0567 39.7570 174.4175 46 G 4.0697 6.4720 108.7214 43.5339 0.0000 173.3216 47 S 4.3218 8.3658 115.7734 58.7598 62.8984 174.5453 *49 R 3.6086 8.4689 114.8387 55.5262 31.2026 170.9849 50 A 4.3813 7.5629 119.8717 51.2221 18.8459 176.7430 *52 T 4.2393 7.9638 115.4168 62.4584 69.6539 174.1732 53 R 2.5100 7.9182 123.5058 58.8615 29.8662 178.5452 54 E 3.8370 7.7789 117.9141 59.4905 29.5211 179.1803 55 Q 4.0198 7.8979 117.3461 58.6361 28.6997 178.5108 56 A 3.8275 7.4664 121.8842 55.1678 18.3724 179.7300 57 I 3.9428 7.9331 118.6624 64.8075 36.6391 178.9059 58 S 4.2165 8.2527 116.0024 61.4969 62.4959 176.9235 59 I 3.7628 7.7204 122.6867 64.6638 36.9272 178.1178 60 Y 4.4548 8.4099 117.8223 60.9342 37.6204 178.6118 61 R 3.0702 8.3575 120.0418 59.0201 30.1090 178.8321 62 K 4.0458 7.7365 116.8837 59.5915 31.9958 179.3140 63 A 3.9593 8.2363 119.6015 53.9752 18.6241 177.4936 64 F 5.2196 8.5157 116.9020 59.9460 41.1748 177.3895 65 W 3.8991 8.2721 126.8574 60.5285 30.9065 178.0226 66 E 3.8039 8.5713 118.7839 59.3360 28.8356 179.0361 67 R 3.5850 7.5292 117.6407 59.2059 30.0241 176.7295 68 Y 4.5731 7.5622 111.6572 56.8589 38.5582 175.7097 69 R 3.4691 7.4737 117.6318 57.0729 28.1260 178.1295 70 A 3.6702 7.2173 120.5762 54.3258 18.6814 179.4996 71 D 3.6043 6.2957 114.3030 55.3462 40.0414 177.1311 72 Q 4.1749 7.0773 121.1534 54.1752 27.8446 174.1236 *74 P 4.2028 0.0000 0.0000 61.8925 34.4095 177.0360 75 E 3.9468 8.7133 121.2864 59.5817 29.6650 179.1434 76 A 4.3075 8.1849 120.2452 55.2475 18.4727 179.6611 77 V 3.5462 7.8625 116.0041 66.0995 31.7124 177.8125 78 A 4.3607 8.1834 120.5362 55.4341 18.3136 179.4608 79 F 4.6078 8.7169 116.4328 61.2976 39.0806 178.0314 80 Q 4.3345 8.4389 117.0907 58.7943 28.4811 178.3834 81 F 4.5953 9.1177 122.3860 61.1969 39.3962 176.8012 82 F 3.4043 9.0873 120.8438 61.2380 39.1026 176.4448 83 D 4.2771 8.2623 116.7915 57.5050 41.0101 178.1986 84 A 4.0247 8.2487 121.1035 55.2594 18.3941 179.4119 85 C 3.6327 7.9015 115.5123 62.8146 27.8621 176.5648 86 V 3.3067 6.9726 118.5099 65.6845 31.0985 177.3263 87 N 4.4043 8.0116 115.9872 56.3775 39.0364 175.8559 88 H 4.8346 8.6011 114.6885 54.2921 30.6229 175.7261 89 G 4.0373 7.5150 108.5269 45.6360 0.0000 174.3154 90 Y 3.9556 8.9870 119.9396 60.9554 38.1411 179.4064 91 G 3.7331 8.3008 106.1608 47.6885 0.0000 175.4182 92 N 4.2075 8.1143 117.3034 56.0501 38.7011 176.7864 93 A 4.2567 7.9913 120.7728 55.2341 18.8078 179.1712 94 A 4.2089 8.4423 119.5663 55.1813 18.4632 180.1681 95 R 4.4604 7.8858 116.1281 56.4207 30.5182 178.8579 *97 L 4.2775 7.9232 121.8096 55.3527 44.1529 178.3725 98 Q 3.9906 8.1980 117.3761 59.2084 29.1456 179.2860 99 R 3.9040 8.4492 116.6380 59.2440 30.2403 179.0903 100 A 4.0230 8.1721 118.8278 54.8387 18.4734 177.7659 101 A 4.2971 7.9779 116.4519 51.8115 18.9406 177.3676 102 G 3.9142 8.0278 103.9744 46.7715 0.0000 174.3276 103 V 4.5061 7.4894 111.2168 57.8935 34.7326 174.2578 104 P 4.2735 0.0000 0.0000 63.4619 31.8394 177.3945 105 D 4.8341 8.4481 124.2753 52.1648 37.9511 175.7035 106 D 4.5971 8.0555 120.1263 53.6888 40.4166 178.5130 107 G 3.9521 9.1386 108.6757 45.5838 0.0000 173.5232 108 V 4.2587 7.9511 119.5641 61.1251 32.5735 175.7237 109 I 4.2182 8.4201 129.6228 59.8676 36.5029 175.6658 110 G 4.3036 7.7713 117.6074 44.1117 0.0000 171.6874 111 A 3.8928 8.6237 119.9124 55.3017 18.5746 180.1859 112 V 3.4981 7.6529 116.2314 66.1460 31.6163 178.3571 113 S 4.0665 7.8878 114.3715 61.6790 62.7541 176.5318 114 L 3.8621 8.0865 121.9154 57.3853 41.0439 179.4444 115 K 3.8239 7.9771 118.8007 59.5144 32.4297 178.4102 116 A 4.1035 7.8351 120.5755 55.1482 18.0529 179.5712 117 I 3.6005 7.6940 117.5285 64.2493 37.2286 177.4619 118 N 4.7737 7.9685 114.1799 53.1689 38.6607 175.7593 119 S 4.6095 7.8587 115.5418 58.0492 63.8364 173.6608 120 L 4.7438 7.4297 121.9557 52.0537 44.3194 174.5844 121 P 4.3406 0.0000 0.0000 62.7025 33.1045 177.1246 122 E 3.9349 8.8565 121.9948 59.8607 29.5969 179.1761 123 N 4.4639 8.1346 115.6329 55.9650 38.6051 177.1474 124 D 4.3527 8.0318 120.2426 57.1606 41.0177 178.0850 125 L 3.9637 7.8660 120.7873 58.3031 42.0343 178.9750 126 L 4.1644 8.0880 118.7500 57.7854 41.5001 179.4304 127 L 4.0164 8.0720 118.7588 58.1267 41.5709 179.8521 128 R 3.9665 8.2254 117.8726 59.1674 29.9093 179.0261 129 F 4.3772 8.8181 120.8480 61.5676 39.4575 176.9326 130 N 4.1321 8.5616 116.0515 56.1492 38.2722 177.2579 131 A 4.0039 8.2693 122.2695 55.2485 18.5225 179.4480 132 E 3.9721 8.4944 117.4032 59.5918 29.5202 179.8168 133 R 3.8747 7.9947 118.0518 59.3079 30.1979 179.0792 134 L 4.4020 8.1998 118.7121 58.0565 41.4519 179.7797 135 V 3.6786 7.8280 116.9077 65.9365 31.7607 177.6043 136 F 4.2356 8.3927 120.4649 61.4590 39.1842 176.6559 137 Y 3.8641 8.4069 119.5483 60.4336 38.4073 176.8961 138 T 4.2789 7.9338 107.8997 61.9421 70.6563 175.0841 139 K 4.2977 7.0945 124.8934 55.1662 30.9286 174.4794 140 L 4.2428 6.8917 116.7685 55.7142 44.8853 178.6269 *147 G 4.4078 8.5183 112.0890 46.6653 0.0000 175.4200 148 K 4.0500 8.3665 125.3198 59.4045 31.6075 180.8859 149 G 3.9947 8.2527 106.3817 47.4475 0.0000 174.8704 150 W 3.9787 8.3484 130.4347 60.2396 30.6038 177.8386 151 V 3.5228 8.3864 118.1064 66.2017 30.8663 178.0085 152 R 3.8578 8.0066 117.6478 59.3164 29.9319 179.0785 153 R 3.7300 7.8302 118.2586 59.4539 30.0010 178.8509 154 V 3.2542 7.4065 117.7156 65.3057 31.3958 177.8414 155 A 3.9794 8.0914 123.5520 55.7065 18.1182 180.1533 156 Q 3.9272 7.6187 119.2519 60.4679 28.1758 180.0807 157 N 4.4069 7.8929 118.7290 56.4646 38.4599 177.4934 158 L 3.9956 7.6728 119.9516 57.8202 41.5419 179.4964 159 I 3.7058 7.3799 118.2407 64.6535 37.1133 177.5924 160 H 4.1561 8.3043 117.8906 59.2115 29.8548 176.7348 161 A 4.3773 7.9984 119.9072 53.5944 18.4182 178.0138 162 S 4.4765 7.5239 118.5703 58.4829 63.3407 173.7612 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 4.57 0.00 3.67 3.93 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 3 D 8.17 4.27 0.00 2.88 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 4 K 8.30 4.04 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.07 7.81 5 F 7.90 3.19 0.00 1.72 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 6 N 7.85 4.07 0.00 2.86 2.72 0.00 0.00 7.02 7.30 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 7 Q 7.78 3.89 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 8 F 7.97 4.13 0.00 2.92 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 9 I 7.52 3.15 0.61 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 0.34 0.00 0.00 10 N 7.42 4.24 0.00 2.67 2.76 0.00 0.00 7.04 8.99 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 11 R 7.47 4.10 0.00 1.86 1.62 0.00 3.07 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 12 V 7.18 4.05 1.66 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 0.49 0.00 0.00 -0.25 0.00 0.00 13 L 7.58 4.48 0.00 1.37 1.51 1.21 1.19 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 14 S 8.67 4.31 0.00 3.91 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 15 H 8.79 4.99 0.00 3.26 3.44 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.25 4.65 0.00 1.88 1.75 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 2.26 2.24 0.00 17 G 7.55 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.79 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 0.00 0.00 0.00 19 Y 8.10 4.31 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 20 A 8.04 4.02 1.01 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 *22 H 9.15 4.47 0.00 3.02 3.10 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 G 8.94 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 0.00 0.00 0.00 28 G 8.11 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 29 E 8.20 4.03 0.00 2.10 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 2.38 2.36 0.00 30 T 8.52 5.27 4.19 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 0.00 0.00 0.00 1.24 0.00 0.00 31 N 9.09 5.05 0.00 2.99 2.77 0.00 0.00 7.13 7.47 0.00 0.00 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 W 9.16 3.57 0.00 3.54 3.42 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 33 G 8.57 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.97 4.46 2.02 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.62 0.84 0.00 0.00 35 T 8.25 4.63 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 36 K 8.85 3.95 0.00 2.01 2.03 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.61 7.81 37 R 8.01 3.95 0.00 1.96 2.01 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 38 T 7.97 3.84 4.40 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 1.18 0.00 0.00 39 A 8.11 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.95 4.43 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 41 A 8.13 4.20 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 42 N 7.82 4.80 0.00 2.79 2.79 0.00 0.00 7.10 7.21 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 43 G 8.13 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 44 Y 8.12 4.33 0.00 3.08 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 45 N 8.21 5.27 0.00 2.88 2.71 0.00 0.00 6.93 7.65 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 46 G 6.47 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.37 4.32 0.00 3.89 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 *49 R 8.47 3.61 0.00 1.90 1.87 0.00 3.30 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 50 A 7.56 4.38 1.31 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 0.00 0.00 0.00 *52 T 7.96 4.24 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 1.33 0.00 0.00 53 R 7.92 2.51 0.00 0.94 1.47 0.00 3.14 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.00 54 E 7.78 3.84 0.00 1.96 1.93 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 2.33 2.30 0.00 55 Q 7.90 4.02 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 56 A 7.47 3.83 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 57 I 7.93 3.94 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 1.49 0.61 1.05 0.00 0.00 58 S 8.25 4.22 0.00 4.06 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 59 I 7.72 3.76 1.84 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 0.76 0.00 0.00 60 Y 8.41 4.45 0.00 3.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.36 3.07 0.00 1.58 1.95 0.00 3.04 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.00 0.00 62 K 7.74 4.05 0.00 1.85 1.79 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.61 7.81 63 A 8.24 3.96 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 64 F 8.52 5.22 0.00 3.84 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 65 W 8.27 3.90 0.00 3.26 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 66 E 8.57 3.80 0.00 2.18 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 2.33 2.45 0.00 67 R 7.53 3.59 0.00 1.62 1.65 0.00 2.91 0.00 0.00 2.49 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.21 0.00 68 Y 7.56 4.57 0.00 3.23 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 69 R 7.47 3.47 0.00 1.85 1.75 0.00 3.03 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 70 A 7.22 3.67 0.54 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 71 D 6.30 3.60 0.00 2.68 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.08 4.17 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.48 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 *74 P 0.00 4.20 0.00 2.20 2.02 0.00 3.54 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 1.98 2.12 0.00 75 E 8.71 3.95 0.00 2.13 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 2.52 2.41 0.00 76 A 8.18 4.31 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.86 3.55 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 0.77 0.00 0.00 0.92 0.00 0.00 78 A 8.18 4.36 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 79 F 8.72 4.61 0.00 3.41 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 80 Q 8.44 4.33 0.00 2.37 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 81 F 9.12 4.60 0.00 2.83 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 9.09 3.40 0.00 3.07 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.26 4.28 0.00 3.00 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 84 A 8.25 4.02 1.68 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 85 C 7.90 3.63 0.00 2.38 1.68 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 86 V 6.97 3.31 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 0.74 0.00 0.00 0.21 0.00 0.00 87 N 8.01 4.40 0.00 2.85 2.56 0.00 0.00 7.14 7.62 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 88 H 8.60 4.83 0.00 3.07 3.10 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 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 90 Y 8.99 3.96 0.00 3.25 3.33 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 91 G 8.30 3.73 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 0.00 0.00 0.00 92 N 8.11 4.21 0.00 2.75 2.20 0.00 0.00 6.85 7.35 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 93 A 7.99 4.26 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 94 A 8.44 4.21 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 95 R 7.89 4.46 0.00 1.93 1.99 0.00 3.29 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 1.85 1.79 0.00 *97 L 7.92 4.28 0.00 1.47 1.59 0.34 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.20 3.99 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 99 R 8.45 3.90 0.00 1.93 2.16 0.00 3.18 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 100 A 8.17 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.98 4.30 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 0.00 102 G 8.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.49 4.51 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 0.73 0.00 0.00 0.96 0.00 0.00 104 P 0.00 4.27 0.00 2.04 2.02 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 105 D 8.45 4.83 0.00 2.81 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 0.00 106 D 8.06 4.60 0.00 2.82 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 0.00 107 G 9.14 3.95 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 0.00 0.00 0.00 108 V 7.95 4.26 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 0.82 0.00 0.00 1.00 0.00 0.00 109 I 8.42 4.22 2.03 0.00 0.00 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 1.27 0.80 0.86 0.00 0.00 110 G 7.77 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 0.00 0.00 0.00 0.00 111 A 8.62 3.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.65 3.50 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 1.04 0.00 0.00 0.91 0.00 0.00 113 S 7.89 4.07 0.00 4.06 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 0.00 114 L 8.09 3.86 0.00 1.59 1.62 0.80 1.08 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 0.00 115 K 7.98 3.82 0.00 1.78 1.96 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 116 A 7.84 4.10 1.41 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 0.00 0.00 117 I 7.69 3.60 1.89 0.00 0.00 0.61 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 0.52 0.77 0.00 0.00 118 N 7.97 4.77 0.00 2.69 2.79 0.00 0.00 6.97 7.88 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 0.00 119 S 7.86 4.61 0.00 3.96 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 0.00 120 L 7.43 4.74 0.00 1.54 1.51 0.92 0.96 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 0.00 121 P 0.00 4.34 0.00 2.31 1.97 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 122 E 8.86 3.93 0.00 2.05 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 2.42 2.45 0.00 123 N 8.13 4.46 0.00 2.80 3.04 0.00 0.00 7.13 8.08 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 0.00 124 D 8.03 4.35 0.00 2.87 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 0.00 125 L 7.87 3.96 0.00 1.77 1.82 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.09 4.16 0.00 1.81 1.81 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.07 4.02 0.00 1.95 1.76 0.94 0.79 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 0.00 128 R 8.23 3.97 0.00 2.09 2.05 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 129 F 8.82 4.38 0.00 3.12 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.56 4.13 0.00 2.98 2.80 0.00 0.00 6.97 6.97 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 0.00 131 A 8.27 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.49 3.97 0.00 2.11 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 2.63 2.60 0.00 133 R 7.99 3.87 0.00 2.02 2.26 0.00 2.53 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.04 0.00 134 L 8.20 4.40 0.00 1.95 1.85 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.83 3.68 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 0.84 0.00 0.00 1.03 0.00 0.00 136 F 8.39 4.24 0.00 3.23 3.19 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 0.00 0.00 0.00 0.00 137 Y 8.41 3.86 0.00 2.98 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 0.00 138 T 7.93 4.28 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 139 K 7.09 4.30 0.00 1.88 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.24 1.31 7.81 140 L 6.89 4.24 0.00 1.32 1.10 0.41 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *147 G 8.52 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 0.00 0.00 0.00 0.00 148 K 8.37 4.05 0.00 1.77 1.86 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.11 7.81 149 G 8.25 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 0.00 0.00 0.00 150 W 8.35 3.98 0.00 3.39 3.36 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 0.00 151 V 8.39 3.52 2.32 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 1.11 0.00 0.00 1.33 0.00 0.00 152 R 8.01 3.86 0.00 2.05 1.94 0.00 3.19 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 153 R 7.83 3.73 0.00 1.74 1.77 0.00 2.97 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 154 V 7.41 3.25 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 0.68 0.00 0.00 -0.77 0.00 0.00 155 A 8.09 3.98 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 0.00 156 Q 7.62 3.93 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 157 N 7.89 4.41 0.00 2.91 2.90 0.00 0.00 7.09 6.72 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 0.00 158 L 7.67 4.00 0.00 1.77 1.70 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.38 3.71 2.00 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 1.40 0.66 0.90 0.00 0.00 160 H 8.30 4.16 0.00 3.23 3.47 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.00 4.38 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 0.00 162 S 7.52 4.48 0.00 3.87 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 * Residues marked with a * may have inaccurate shift predictions.