NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7693 8.4249 118.3554 52.6519 39.1066 173.2605 3 K 4.1846 9.0158 119.3911 54.7116 34.1090 170.9384 4 V 4.8949 8.7349 123.3127 61.5206 35.1938 173.7785 5 Y 5.2842 9.1568 125.1238 56.2763 41.5678 174.2621 6 L 5.4232 9.0690 122.3438 53.5584 45.1180 175.2203 7 A 5.2334 9.3673 127.2184 50.1210 23.5079 175.4369 8 N 5.1494 8.5801 112.1665 51.1012 37.6653 174.4694 9 A 4.3655 7.2323 119.0383 52.6009 21.3560 176.1242 10 F 5.0559 8.7265 122.3503 56.4334 41.7006 175.1205 11 S 4.2266 7.2134 119.8501 56.0838 65.6731 174.6327 12 I 3.5743 8.0707 127.2180 64.5565 37.0207 178.0769 13 N 4.4330 7.9594 116.0621 56.0847 38.6167 176.0423 14 M 4.3727 7.7162 117.2208 56.7180 32.3263 176.3511 15 L 4.4956 7.7604 119.1428 54.2661 43.0422 176.5747 16 T 4.2557 7.9204 110.9868 62.3763 70.0443 174.9644 17 K 4.7082 7.3407 119.1274 54.0328 34.9143 175.2798 18 F 4.9993 8.3079 119.6262 54.7812 42.7100 173.2782 19 P 4.6884 0.0000 0.0000 63.1133 31.9855 175.4672 20 T 4.6530 8.1631 112.9202 60.2446 70.7581 172.5276 21 K 4.7452 8.3076 126.2806 54.6814 35.0968 175.0180 22 V 4.8653 8.3172 118.7846 59.5412 35.5247 174.8689 23 V 4.2715 8.5245 124.3592 61.4049 33.2065 174.3518 24 I 5.0395 8.3372 128.4034 59.5854 39.5722 174.5523 25 D 4.8854 9.2764 125.7586 52.2857 44.9032 174.0473 26 K 4.2670 8.9162 127.3873 55.8786 32.6288 175.7351 27 I 4.7320 8.4216 121.6547 58.9308 40.8507 175.1053 28 D 4.7892 8.4020 122.8491 52.2198 41.0836 177.1704 29 R 3.5151 8.6073 117.9757 59.3423 29.8046 178.1265 30 L 3.9300 7.9344 118.2687 57.9313 41.7476 179.0327 31 E 3.9150 8.6198 119.2042 58.9592 29.5382 178.3751 32 F 3.8401 7.9905 120.2925 61.6358 39.4485 176.5157 33 C 4.1392 8.3980 116.1295 59.8761 39.7478 175.7694 34 E 3.7518 7.8180 120.1095 59.2674 29.2683 178.2257 35 N 4.3139 7.6468 115.4859 55.0459 38.7645 176.8200 36 I 3.9231 6.8912 113.1084 61.6386 39.4515 176.3499 37 D 4.6350 7.5039 121.8130 52.6703 39.1701 174.4317 38 N 5.0113 7.3551 117.3030 51.4648 43.3237 175.0547 39 E 4.0184 8.7972 120.1721 59.6133 29.6719 177.9729 40 D 4.7365 7.8387 115.1366 53.9149 41.0768 176.3933 41 I 3.9766 7.5454 119.5229 60.9970 38.7249 175.1167 42 I 4.4038 8.5032 127.3264 59.5410 39.2078 174.4437 43 N 4.7701 8.9572 127.3312 53.0861 39.0453 174.3349 44 S 4.7883 8.9756 120.9761 58.2168 63.4602 173.5619 45 I 4.1036 8.0509 121.1100 61.3877 37.4435 176.9717 46 G 3.8406 8.8089 115.6101 46.6621 0.0000 173.5172 47 H 4.8015 7.8382 117.1633 55.1286 30.0552 176.1143 48 D 4.4338 8.6500 122.6897 57.2194 40.7230 179.2648 49 S 4.1304 8.0714 115.4232 62.1455 62.9616 176.7023 50 T 3.9210 7.9276 117.7187 66.6431 68.2354 176.4138 51 I 3.8382 7.5112 120.3969 64.0041 38.0679 177.9293 52 Q 4.1017 8.4007 119.1079 58.3605 28.5781 178.0970 53 L 3.8946 7.9637 121.6689 58.2564 42.0202 179.2338 54 I 3.7797 7.7763 119.6130 64.4617 37.0236 178.1933 55 N 4.5967 8.2435 118.6483 55.8766 38.1577 177.4962 56 S 4.1156 8.3067 115.7902 61.7700 63.0597 176.3866 57 L 4.1150 7.7422 121.3284 57.3637 41.9604 177.2095 58 C 4.8160 8.4479 114.0381 55.3107 41.8318 173.5739 59 G 3.6835 8.5388 108.9657 47.0745 0.0000 173.0815 60 T 4.5520 7.6687 108.8857 59.7983 71.9676 173.6249 61 T 4.7658 7.4568 108.7926 60.8563 68.5413 173.6761 62 F 4.4164 8.2823 119.0627 58.5055 40.1313 175.0327 63 Q 4.6905 8.3269 120.1721 53.3975 32.0575 175.6640 64 K 4.2453 8.6520 119.1230 57.7131 32.7846 175.7346 65 N 4.9189 8.6548 124.2117 51.7840 41.3218 173.2719 66 R 4.5746 8.6915 127.1269 55.1979 31.3114 175.5009 67 V 4.5511 8.1600 124.7275 61.1569 35.2777 174.1092 68 E 4.2452 8.7582 127.0227 55.0656 29.6861 175.9518 69 I 3.6807 8.0220 128.0236 60.8416 37.8567 175.2878 70 K 4.7463 8.1234 123.3535 54.4791 34.8704 175.5584 71 L 4.3723 9.3268 126.5937 54.5484 43.1188 176.5300 72 E 4.8501 8.8432 122.1558 52.8813 33.5332 175.0676 73 K 3.8359 8.4239 121.0166 58.5167 32.3849 176.5362 74 E 4.0491 8.8139 125.9789 56.1066 30.2393 174.3683 75 D 4.8590 7.6578 117.9958 54.7278 42.2456 175.4456 76 K 5.0314 8.8398 119.9242 54.5433 36.2336 174.9696 77 L 5.1134 8.8034 124.6514 53.5670 45.5453 174.5140 78 Y 5.2204 8.9087 123.9245 56.4399 40.3558 174.7132 79 V 4.9751 9.0549 124.7335 61.1343 34.3779 174.5034 80 V 4.2615 8.8589 128.2191 61.7291 32.9348 174.1423 81 Q 4.6836 9.0443 131.4476 54.5640 30.2004 175.7093 82 I 4.2244 8.3724 126.6870 61.5645 37.2015 177.0890 83 S 4.8328 7.6617 115.3394 56.9061 63.1839 172.6864 *95 E 4.4542 8.3447 122.3998 55.8316 31.5529 179.0873 96 E 3.9878 8.0706 118.8601 58.9577 29.5259 179.0267 97 I 3.7779 7.6861 118.2673 63.9334 38.2358 177.7441 98 L 4.0601 7.8920 119.4848 57.6253 41.4442 179.0486 99 K 3.9044 8.1643 119.5448 59.5496 32.0541 178.8047 100 L 3.9570 7.6670 118.7787 58.1380 41.4168 178.9926 101 Y 4.0517 7.9142 117.8103 59.9269 38.7865 176.8094 102 E 4.2753 7.9036 117.0506 56.6013 30.4795 177.1658 103 S 4.3446 8.1714 112.5594 58.3304 62.6462 173.6813 104 G 3.6602 7.9770 107.9930 47.4436 0.0000 173.7294 105 K 4.4902 8.2125 118.3584 55.4666 33.8031 174.8304 106 V 5.1252 7.5273 118.0836 60.8007 33.7452 174.4718 107 Q 4.2012 8.3101 124.7012 54.0872 33.9098 173.5297 108 F 5.4521 7.8921 117.8835 55.9021 42.6994 174.5250 109 F 5.4287 9.3090 120.2603 55.8788 43.7393 173.0295 110 E 4.8834 9.7436 124.2423 54.6315 31.7599 174.4872 111 I 4.8068 8.4995 127.9857 59.6787 40.2132 174.3607 112 I 4.5898 8.3632 128.6238 59.5423 39.4185 175.2166 113 V 4.5749 8.3019 126.7331 61.7422 33.6937 175.4794 114 D 4.4216 9.2887 126.0800 54.6391 41.5529 175.2502 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 N 8.42 4.77 0.00 2.93 2.90 0.00 0.00 6.05 6.25 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 3 K 9.02 4.18 0.00 1.93 1.29 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.41 7.81 4 V 8.73 4.89 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 1.36 0.00 0.00 0.95 0.00 0.00 5 Y 9.16 5.28 0.00 2.99 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 6 L 9.07 5.42 0.00 1.67 1.41 1.09 0.57 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 7 A 9.37 5.23 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 8 N 8.58 5.15 0.00 2.81 2.90 0.00 0.00 6.23 7.26 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 9 A 7.23 4.37 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 10 F 8.73 5.06 0.00 2.83 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 11 S 7.21 4.23 0.00 3.64 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 12 I 8.07 3.57 1.77 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 1.40 0.31 0.96 0.00 0.00 13 N 7.96 4.43 0.00 2.62 2.86 0.00 0.00 6.93 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 14 M 7.72 4.37 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 15 L 7.76 4.50 0.00 1.57 1.17 1.05 0.77 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 16 T 7.92 4.26 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 1.19 0.00 0.00 17 K 7.34 4.71 0.00 1.59 1.65 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.34 7.81 18 F 8.31 5.00 0.00 2.97 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 19 P 0.00 4.69 0.00 2.23 2.12 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 20 T 8.16 4.65 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 1.13 0.00 0.00 21 K 8.31 4.75 0.00 1.85 1.60 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.42 7.81 22 V 8.32 4.87 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 0.71 0.00 0.00 0.87 0.00 0.00 23 V 8.52 4.27 2.05 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 0.96 0.00 0.00 0.92 0.00 0.00 24 I 8.34 5.04 1.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.64 0.90 0.00 0.00 25 D 9.28 4.89 0.00 2.75 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 26 K 8.92 4.27 0.00 1.81 1.67 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 0.74 7.81 27 I 8.42 4.73 1.96 0.00 0.00 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 1.59 1.02 1.05 0.00 0.00 28 D 8.40 4.79 0.00 2.97 2.89 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 29 R 8.61 3.52 0.00 1.92 2.02 0.00 3.21 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 30 L 7.93 3.93 0.00 1.89 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.62 3.92 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 2.32 2.31 0.00 32 F 7.99 3.84 0.00 3.08 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 33 C 8.40 4.14 0.00 2.95 3.07 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 34 E 7.82 3.75 0.00 2.09 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 2.25 2.29 0.00 35 N 7.65 4.31 0.00 1.77 1.97 0.00 0.00 7.05 7.59 0.00 0.00 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 6.89 3.92 1.68 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.39 0.12 0.00 0.00 37 D 7.50 4.63 0.00 2.70 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 38 N 7.36 5.01 0.00 2.65 2.61 0.00 0.00 7.27 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 39 E 8.80 4.02 0.00 1.92 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 2.26 2.28 0.00 40 D 7.84 4.74 0.00 2.63 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 41 I 7.55 3.98 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 1.30 0.00 0.00 42 I 8.50 4.40 1.56 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.41 1.00 0.00 0.00 43 N 8.96 4.77 0.00 2.90 2.90 0.00 0.00 7.08 7.63 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 44 S 8.98 4.79 0.00 4.02 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 45 I 8.05 4.10 1.96 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 1.18 1.34 0.92 0.00 0.00 46 G 8.81 3.84 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 0.00 0.00 0.00 47 H 7.84 4.80 0.00 3.22 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.65 4.43 0.00 2.74 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 49 S 8.07 4.13 0.00 3.90 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 50 T 7.93 3.92 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 1.24 0.00 0.00 51 I 7.51 3.84 2.09 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 1.62 1.36 1.08 0.00 0.00 52 Q 8.40 4.10 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 53 L 7.96 3.89 0.00 1.85 1.85 0.69 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.78 3.78 2.07 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 1.68 0.73 1.05 0.00 0.00 55 N 8.24 4.60 0.00 2.93 3.02 0.00 0.00 6.56 6.86 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 56 S 8.31 4.12 0.00 3.99 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 57 L 7.74 4.12 0.00 1.71 1.77 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.45 4.82 0.00 3.08 3.10 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 59 G 8.54 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.67 4.55 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 1.33 0.00 0.00 61 T 7.46 4.77 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 1.16 0.00 0.00 62 F 8.28 4.42 0.00 3.19 3.04 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 63 Q 8.33 4.69 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.13 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 64 K 8.65 4.25 0.00 1.98 2.04 0.00 1.55 0.00 0.00 1.85 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 65 N 8.65 4.92 0.00 2.74 2.93 0.00 0.00 7.08 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 66 R 8.69 4.57 0.00 1.88 1.83 0.00 3.25 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 67 V 8.16 4.55 2.18 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 0.93 0.00 0.00 1.04 0.00 0.00 68 E 8.76 4.25 0.00 1.97 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 0.00 2.24 2.30 0.00 69 I 8.02 3.68 1.59 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.81 -0.14 0.00 0.00 70 K 8.12 4.75 0.00 1.60 1.72 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.38 7.81 71 L 9.33 4.37 0.00 1.64 1.61 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.84 4.85 0.00 1.93 1.85 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 2.20 2.07 0.00 73 K 8.42 3.84 0.00 1.70 1.72 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 74 E 8.81 4.05 0.00 2.15 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 0.00 2.18 2.25 0.00 75 D 7.66 4.86 0.00 2.81 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 76 K 8.84 5.03 0.00 1.68 1.44 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.31 7.81 77 L 8.80 5.11 0.00 1.68 1.36 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.91 5.22 0.00 3.05 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 79 V 9.05 4.98 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 1.05 0.00 0.00 1.04 0.00 0.00 80 V 8.86 4.26 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 0.82 0.00 0.00 1.10 0.00 0.00 81 Q 9.04 4.68 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 82 I 8.37 4.22 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.95 0.92 0.00 0.00 83 S 7.66 4.83 0.00 3.77 3.70 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 *95 E 8.34 4.45 0.00 2.22 2.24 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 2.27 2.35 0.00 96 E 8.07 3.99 0.00 2.04 2.05 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 2.41 2.37 0.00 97 I 7.69 3.78 1.90 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 1.66 1.25 0.93 0.00 0.00 98 L 7.89 4.06 0.00 1.91 1.75 0.94 0.65 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 99 K 8.16 3.90 0.00 1.85 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 L 7.67 3.96 0.00 1.93 1.72 0.96 0.66 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 0.00 101 Y 7.91 4.05 0.00 2.93 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 0.00 102 E 7.90 4.28 0.00 2.14 1.96 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 2.30 2.46 0.00 103 S 8.17 4.34 0.00 3.87 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 0.00 104 G 7.98 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 0.00 0.00 0.00 105 K 8.21 4.49 0.00 1.79 1.81 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.33 7.81 106 V 7.53 5.13 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 1.03 0.00 0.00 0.97 0.00 0.00 107 Q 8.31 4.20 0.00 2.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 108 F 7.89 5.45 0.00 3.05 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 0.00 109 F 9.31 5.43 0.00 3.10 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 E 9.74 4.88 0.00 2.20 1.88 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 2.11 1.98 0.00 111 I 8.50 4.81 1.61 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.37 0.37 0.00 0.00 112 I 8.36 4.59 1.83 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 1.03 0.61 0.88 0.00 0.00 113 V 8.30 4.57 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 0.99 0.00 0.00 0.92 0.00 0.00 114 D 9.29 4.42 0.00 2.59 2.46 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 * Residues marked with a * may have inaccurate shift predictions.