NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3063 8.3344 116.7920 57.8966 65.0583 173.2141 3 K 3.9849 7.9110 121.7717 54.1520 31.9893 170.6338 4 V 3.9037 9.0288 128.4844 61.5368 33.1893 174.1649 5 P 4.4950 0.0000 0.0000 62.1540 33.1897 176.9386 6 R 3.9860 8.7470 120.9457 60.2777 29.9083 178.4869 7 N 4.3101 8.2363 115.2285 56.4331 38.5756 177.1499 8 F 4.3335 8.1653 118.3114 59.8786 39.1935 177.8467 9 R 4.0550 8.4908 119.1280 59.3963 29.8457 178.5278 10 L 4.2268 8.5382 119.2743 57.7356 41.6352 179.4262 11 L 4.1416 8.1990 119.1703 57.7147 41.5888 179.3770 12 E 4.0840 8.3840 118.6319 59.6654 29.3883 179.3340 13 E 4.1641 8.4058 118.6149 59.0212 29.3913 179.1611 14 L 4.4476 8.5376 120.7432 58.4764 42.1442 178.7867 15 E 4.1802 8.3637 118.4947 59.5622 29.2105 179.4347 16 K 4.1224 8.0297 118.3998 59.3789 32.3432 178.8498 17 G 3.3063 8.2502 105.4187 47.1647 0.0000 175.3766 18 E 4.1263 8.1159 120.4982 60.6208 30.0122 178.1349 19 K 4.4193 7.9186 125.3353 56.6564 34.4975 178.2131 *24 E 4.3247 8.5238 121.0251 56.4179 31.9579 173.0603 25 S 4.6557 7.8663 113.0325 60.7944 64.3922 173.4935 26 C 5.4728 7.8745 116.9576 58.6740 32.3887 172.9571 27 S 4.7703 8.9263 115.0533 57.8184 66.5772 172.0556 28 Y 5.2300 7.5930 116.4800 56.8971 40.4445 173.0925 29 G 4.3524 8.9781 106.6371 45.7133 0.0000 172.8659 30 L 3.8707 8.2752 119.9379 54.2059 42.0779 177.9304 31 A 3.9984 8.3376 125.8508 54.0564 18.8032 177.2601 32 D 4.7062 7.5547 115.2680 52.0428 42.9558 176.2464 33 S 4.0541 8.8136 122.5112 60.6204 62.9830 174.7675 34 D 4.6987 7.9760 118.5648 52.8947 39.4258 176.3315 35 D 4.4960 7.8190 121.5820 53.5621 39.6450 176.5713 36 I 3.6393 8.1185 127.4348 64.1135 37.3332 177.7433 37 T 4.0106 7.6970 108.7744 62.2028 69.3021 174.0967 38 M 2.9488 7.7201 121.6355 56.8785 30.4031 177.8209 39 T 4.4319 8.3946 116.7976 66.0770 70.3944 176.4052 40 K 5.0364 7.9415 120.6495 54.7841 34.0826 175.6514 41 W 5.2147 9.5562 124.3653 54.9745 33.3625 174.0208 42 N 5.4176 9.6076 120.1690 51.8053 40.6422 174.3468 43 G 4.8019 9.2293 109.3191 44.7438 0.0000 171.4424 44 T 5.4126 9.1831 110.4198 59.8509 72.7516 172.8372 45 I 5.1185 8.9262 124.4160 59.5277 41.0847 174.0520 46 L 4.7443 9.1696 130.1242 53.7924 42.7327 176.6276 47 G 4.1787 9.3866 114.9205 45.9717 0.0000 171.6701 48 P 4.6073 0.0000 0.0000 61.5035 32.1457 174.2996 49 P 4.4322 0.0000 0.0000 63.2533 32.1725 174.8973 50 H 4.1403 8.5990 112.5632 56.2408 26.1452 174.4812 51 S 4.5807 7.4291 111.1088 57.7286 65.4375 174.3927 52 N 4.6809 8.6471 116.2503 54.5504 38.2236 175.8677 53 H 4.8603 8.1102 118.1109 56.1128 29.8587 175.4943 54 E 4.2577 7.7047 115.6660 57.7327 29.7536 182.3280 55 N 4.3277 8.8650 118.2420 53.1811 36.5590 173.9821 56 R 4.5414 7.7483 117.6317 54.4611 32.8762 174.9778 57 I 4.6885 7.8439 121.6082 59.4484 40.4236 173.8862 58 Y 4.8725 9.2345 127.5233 56.5690 40.2017 174.9551 59 S 5.2033 9.2680 120.7917 57.4819 65.2108 173.3199 60 L 5.1366 8.9808 122.4659 53.1791 46.7191 174.9640 61 S 5.1751 9.2182 114.9401 56.6523 65.4923 172.7172 62 I 4.9261 8.9357 127.1880 59.4313 40.8913 173.8246 63 D 5.2529 9.0830 126.4234 52.8349 43.5460 174.6209 64 C 4.4175 9.0338 125.9596 58.1024 28.8685 174.3925 65 G 3.9353 8.2662 114.3836 43.8254 0.0000 170.7789 66 P 4.2232 0.0000 0.0000 65.2758 31.3431 176.9498 67 N 4.7778 8.0163 113.8189 53.1373 39.1995 173.5285 68 Y 4.7402 8.1246 118.0768 57.1865 39.4458 173.4888 69 P 3.8360 0.0000 0.0000 62.4846 31.7942 177.2951 70 D 4.4196 8.0694 120.4423 56.8767 41.1237 176.6489 71 S 4.8243 8.1419 115.0831 55.6688 64.9398 172.1838 72 P 2.9700 0.0000 0.0000 61.1907 31.7256 174.0266 73 P 4.5039 0.0000 0.0000 62.3315 33.0143 175.0471 74 K 4.4584 8.4479 119.4967 54.8611 34.0570 176.0311 75 V 4.7765 8.2236 123.9835 61.3277 34.8352 174.1172 76 T 5.0624 8.7948 123.8015 61.6951 72.2229 173.3292 77 F 4.3670 9.3737 125.9423 57.9369 39.5350 175.3899 78 I 4.3898 9.0927 124.3518 63.7204 38.6102 176.5153 79 S 4.6094 8.2828 116.8020 58.2967 63.3025 174.2431 80 K 3.1876 8.6335 126.4657 56.3073 32.5157 175.9999 81 I 4.5503 7.7771 124.8361 59.7368 40.8103 174.0618 82 N 4.7158 8.9878 125.8016 51.6931 38.2593 173.0677 83 L 4.5724 7.7784 125.6630 52.1751 45.2235 174.7067 84 P 4.1790 0.0000 0.0000 66.1605 31.1457 176.7138 85 C 4.3525 8.0484 110.9453 58.1824 30.1080 172.4286 86 V 4.4784 7.4969 121.5035 60.6305 32.5268 174.6589 87 N 4.2399 8.9647 127.0371 53.2841 38.9202 173.6234 88 P 4.6009 0.0000 0.0000 64.9855 31.9274 177.1181 89 T 4.4234 8.4195 115.9084 65.6257 69.2872 176.0344 90 T 4.0185 8.0186 108.6916 61.6367 69.7966 175.8884 91 G 2.7421 7.5523 110.4213 44.5055 0.0000 172.9186 92 E 4.4152 7.5277 120.4227 56.1407 30.6702 176.3718 93 V 4.2139 8.5262 125.2611 62.5058 32.3055 175.9182 94 Q 4.2784 9.3151 128.0701 55.8459 29.2231 177.5780 95 T 3.8788 8.8581 113.3283 64.8733 68.6200 174.8570 96 D 4.5235 8.0536 119.3309 54.3673 40.1821 176.8120 97 F 4.3289 8.4636 124.0070 58.6790 40.6505 174.7122 98 H 4.0058 8.3825 122.1577 59.5597 27.7967 177.6404 99 T 3.7545 6.4291 116.5066 66.0802 68.4020 176.1141 100 L 4.4222 8.0038 120.3743 57.6890 41.7112 179.0906 101 R 4.0280 8.4742 117.9147 58.7773 30.1994 177.3639 102 D 5.0192 8.5494 117.3918 53.1223 41.5693 176.4730 103 W 4.4512 8.0422 131.6179 58.5081 31.3218 175.7204 104 K 4.2156 6.1304 125.5007 51.8728 34.3888 174.4405 105 R 4.2369 8.5027 120.6408 58.4622 30.0386 177.8485 106 A 4.0086 7.3376 119.0347 54.2831 18.6850 177.3129 107 Y 4.2251 6.9491 114.2753 58.0349 38.4697 175.5292 108 T 4.9558 8.2673 112.7369 59.6266 73.3663 174.9930 109 M 4.0339 9.0639 120.2679 58.1955 31.5377 178.7904 110 E 3.9862 7.9610 119.2615 59.4769 29.8375 178.6200 111 T 3.7760 7.5466 115.8157 66.6427 68.4959 176.2514 112 L 4.0760 7.8936 121.7040 58.2763 42.1642 179.0092 113 L 4.0069 8.1185 118.9926 57.7708 41.5477 179.5532 114 L 4.0662 8.2237 119.1215 57.9211 41.5862 179.3085 115 D 4.4880 8.4678 119.0927 57.3598 40.8701 178.8492 116 L 4.0971 8.3516 119.7683 57.6571 41.3617 179.5007 117 R 3.9656 7.9311 118.0608 59.2987 30.3483 178.3516 118 K 4.1421 8.2908 118.3973 59.5467 31.9101 178.8819 119 E 4.0897 8.4112 119.4944 59.5687 29.3338 178.6867 120 M 4.1168 7.8711 116.9705 57.0755 31.9585 177.3681 121 A 4.6582 7.4940 119.4468 50.9612 20.1693 176.8243 122 T 4.1058 7.3369 110.5632 61.0257 69.7774 173.6961 123 P 4.2101 0.0000 0.0000 66.6884 30.6651 178.5146 124 A 4.0314 7.9000 118.6439 54.5817 18.7896 178.7063 125 N 4.5456 8.0581 114.7573 55.7045 38.8681 177.7473 126 K 4.1894 8.8272 123.0424 59.6928 32.3569 178.8944 127 K 4.4200 7.1143 119.7876 55.5094 32.4763 181.4113 128 L 4.3484 7.1852 119.3118 55.3521 42.1380 177.3197 129 R 4.0563 8.4686 122.6309 56.3132 30.6970 176.1556 130 Q 4.6325 8.1874 120.6644 53.2684 31.0757 173.6688 131 P 4.3912 0.0000 0.0000 62.6622 32.3797 177.2916 132 K 4.0422 8.9777 124.2376 54.8785 32.1079 177.7139 133 E 4.1387 8.6520 118.5606 57.4417 29.7922 176.3831 134 G 4.0759 8.8765 112.2620 44.3426 0.0000 173.7801 135 E 4.1428 7.9367 119.5272 56.4165 30.0375 175.9789 136 T 5.1093 7.8731 110.5814 59.4923 72.0365 173.9841 137 F 4.2861 8.7806 120.0615 57.9797 38.8624 175.6038 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 8.33 4.31 0.00 3.86 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 3 K 7.91 3.98 0.00 1.78 1.73 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.48 7.81 4 V 9.03 3.90 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 1.05 0.00 0.00 0.94 0.00 0.00 5 P 0.00 4.49 0.00 2.48 2.09 0.00 3.85 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 6 R 8.75 3.99 0.00 2.06 2.04 0.00 3.46 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 7 N 8.24 4.31 0.00 2.58 2.57 0.00 0.00 7.05 8.13 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 8 F 8.17 4.33 0.00 3.15 3.12 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 0.00 0.00 0.00 0.00 9 R 8.49 4.05 0.00 2.11 2.04 0.00 3.41 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 10 L 8.54 4.23 0.00 2.03 2.07 1.16 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.20 4.14 0.00 2.01 1.83 0.69 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.38 4.08 0.00 2.38 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 0.00 2.43 2.73 0.00 13 E 8.41 4.16 0.00 1.95 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 2.36 2.57 0.00 14 L 8.54 4.45 0.00 2.32 2.09 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.36 4.18 0.00 2.25 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 0.00 2.49 2.64 0.00 16 K 8.03 4.12 0.00 1.87 2.13 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.50 7.81 17 G 8.25 3.31 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 0.00 18 E 8.12 4.13 0.00 2.13 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 2.36 2.62 0.00 19 K 7.92 4.42 0.00 1.67 1.68 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.68 7.81 *24 E 8.52 4.32 0.00 2.01 1.89 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 2.13 1.88 0.00 25 S 7.87 4.66 0.00 3.93 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 26 C 7.87 5.47 0.00 2.89 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 27 S 8.93 4.77 0.00 3.79 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 28 Y 7.59 5.23 0.00 3.14 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 29 G 8.98 4.35 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 0.00 30 L 8.28 3.87 0.00 1.35 1.32 0.63 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.34 4.00 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 32 D 7.55 4.71 0.00 2.58 2.39 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 33 S 8.81 4.05 0.00 3.96 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 34 D 7.98 4.70 0.00 2.74 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 35 D 7.82 4.50 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.64 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.87 0.00 0.00 37 T 7.70 4.01 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 1.19 0.00 0.00 38 M 7.72 2.95 0.00 2.26 2.23 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 2.65 2.33 0.00 39 T 8.39 4.43 4.21 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 0.00 0.00 0.00 1.29 0.00 0.00 40 K 7.94 5.04 0.00 1.63 1.69 0.00 1.57 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 41 W 9.56 5.21 0.00 3.09 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 9.61 5.42 0.00 2.64 2.75 0.00 0.00 6.79 7.50 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 43 G 9.23 4.80 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 0.00 0.00 0.00 44 T 9.18 5.41 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 1.25 0.00 0.00 45 I 8.93 5.12 2.08 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 1.17 0.70 1.04 0.00 0.00 46 L 9.17 4.74 0.00 1.62 1.76 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.39 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 0.00 0.00 0.00 0.00 48 P 0.00 4.61 0.00 2.24 2.12 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 49 P 0.00 4.43 0.00 1.86 2.02 0.00 3.93 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 1.92 1.94 0.00 50 H 8.60 4.14 0.00 3.36 3.42 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.43 4.58 0.00 4.02 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 52 N 8.65 4.68 0.00 2.71 2.84 0.00 0.00 6.94 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.11 4.86 0.00 3.26 3.54 0.00 5.64 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 54 E 7.70 4.26 0.00 2.01 1.77 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 2.27 2.18 0.00 55 N 8.86 4.33 0.00 2.86 2.94 0.00 0.00 6.95 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 56 R 7.75 4.54 0.00 1.85 1.19 0.00 3.26 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 57 I 7.84 4.69 1.81 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 1.33 0.75 0.83 0.00 0.00 58 Y 9.23 4.87 0.00 3.07 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 59 S 9.27 5.20 0.00 3.82 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 60 L 8.98 5.14 0.00 1.37 1.31 0.78 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.22 5.18 0.00 3.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.94 4.93 1.84 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 0.98 0.43 0.65 0.00 0.00 63 D 9.08 5.25 0.00 2.71 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.03 4.42 0.00 2.68 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.27 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 66 P 0.00 4.22 0.00 2.07 2.17 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 67 N 8.02 4.78 0.00 2.81 2.78 0.00 0.00 6.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.12 4.74 0.00 2.93 2.98 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 69 P 0.00 3.84 0.00 2.14 1.25 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 70 D 8.07 4.42 0.00 2.88 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 71 S 8.14 4.82 0.00 3.85 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 72 P 0.00 2.97 0.00 1.59 1.28 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 73 P 0.00 4.50 0.00 1.80 1.64 0.00 2.42 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 74 K 8.45 4.46 0.00 1.63 1.69 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.70 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.45 7.81 75 V 8.22 4.78 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 0.89 0.00 0.00 0.81 0.00 0.00 76 T 8.79 5.06 4.21 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 0.00 0.00 0.00 1.14 0.00 0.00 77 F 9.37 4.37 0.00 3.05 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 78 I 9.09 4.39 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.98 0.99 0.00 0.00 79 S 8.28 4.61 0.00 4.19 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 80 K 8.63 3.19 0.00 1.43 1.47 0.00 1.41 0.00 0.00 1.40 0.00 0.00 2.68 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.04 0.21 7.81 81 I 7.78 4.55 1.43 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.66 0.12 0.00 0.00 82 N 8.99 4.72 0.00 2.63 2.86 0.00 0.00 6.84 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 83 L 7.78 4.57 0.00 1.46 1.14 0.89 0.59 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 84 P 0.00 4.18 0.00 2.23 2.20 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 85 C 8.05 4.35 0.00 3.17 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 86 V 7.50 4.48 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 0.54 0.00 0.00 0.53 0.00 0.00 87 N 8.96 4.24 0.00 2.63 2.54 0.00 0.00 6.52 7.58 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 88 P 0.00 4.60 0.00 2.28 2.21 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 89 T 8.42 4.42 4.39 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 1.23 0.00 0.00 90 T 8.02 4.02 4.14 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 1.19 0.00 0.00 91 G 7.55 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 0.00 0.00 0.00 92 E 7.53 4.42 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 93 V 8.53 4.21 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 0.52 0.00 0.00 1.00 0.00 0.00 94 Q 9.32 4.28 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 95 T 8.86 3.88 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 1.21 0.00 0.00 96 D 8.05 4.52 0.00 2.84 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 97 F 8.46 4.33 0.00 3.20 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 98 H 8.38 4.01 0.00 3.32 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 6.43 3.75 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 100 L 8.00 4.42 0.00 1.97 1.78 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.47 4.03 0.00 1.93 2.20 0.00 3.25 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 102 D 8.55 5.02 0.00 2.76 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 0.00 103 W 8.04 4.45 0.00 3.65 3.05 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 K 6.13 4.22 0.00 1.68 1.61 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 0.94 7.81 105 R 8.50 4.24 0.00 1.65 1.84 0.00 3.04 0.00 0.00 3.43 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 106 A 7.34 4.01 1.13 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 0.00 107 Y 6.95 4.23 0.00 1.43 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 0.00 0.00 0.00 0.00 108 T 8.27 4.96 4.47 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 1.28 0.00 0.00 109 M 9.06 4.03 0.00 1.41 1.29 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 110 E 7.96 3.99 0.00 2.17 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 2.50 0.00 111 T 7.55 3.78 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 0.68 0.00 0.00 112 L 7.89 4.08 0.00 2.04 1.90 1.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.12 4.01 0.00 1.78 1.75 1.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.22 4.07 0.00 2.04 1.73 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.47 4.49 0.00 3.07 2.91 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 0.00 116 L 8.35 4.10 0.00 1.87 1.76 0.81 -0.00 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 0.00 117 R 7.93 3.97 0.00 2.00 2.15 0.00 3.33 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 118 K 8.29 4.14 0.00 2.09 1.91 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.63 7.81 119 E 8.41 4.09 0.00 2.55 2.21 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 0.00 2.58 2.49 0.00 120 M 7.87 4.12 0.00 1.86 2.26 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.21 0.00 121 A 7.49 4.66 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 0.00 122 T 7.34 4.11 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 1.35 0.00 0.00 123 P 0.00 4.21 0.00 2.29 2.40 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 124 A 7.90 4.03 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 0.00 125 N 8.06 4.55 0.00 2.89 2.90 0.00 0.00 6.70 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.83 4.19 0.00 1.97 2.12 0.00 1.50 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.69 1.47 7.81 127 K 7.11 4.42 0.00 1.94 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.33 7.81 128 L 7.19 4.35 0.00 1.72 1.62 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.47 4.06 0.00 1.79 1.85 0.00 3.17 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 130 Q 8.19 4.63 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 131 P 0.00 4.39 0.00 1.98 1.91 0.00 3.70 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 1.91 2.01 0.00 132 K 8.98 4.04 0.00 1.67 1.69 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.26 7.81 133 E 8.65 4.14 0.00 1.98 1.81 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 2.24 1.91 0.00 134 G 8.88 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 0.00 135 E 7.94 4.14 0.00 2.01 1.78 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 2.29 2.37 0.00 136 T 7.87 5.11 4.37 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 1.24 0.00 0.00 137 F 8.78 4.29 0.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.