NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4153 8.3033 120.1765 56.2519 31.7373 173.9444 3 I 4.8736 8.2392 122.4143 57.9309 39.8479 173.3714 4 R 4.7064 8.8105 122.5030 54.5745 34.0866 173.6776 5 V 4.3122 8.2585 118.9675 62.2834 32.1895 175.4089 6 F 4.0551 9.0064 129.9599 59.0397 39.4267 174.6142 7 R 4.3743 8.6304 123.7265 53.6159 33.7244 176.6754 8 Q 3.9935 8.4028 120.7329 59.5724 28.8903 179.5642 9 E 3.9382 7.8281 116.6513 59.3156 29.7280 177.9831 10 D 4.3745 8.6601 119.1909 54.9745 40.8575 177.7483 11 F 4.1182 8.0328 122.3728 62.1159 39.3624 177.1527 12 E 4.1015 8.3318 117.2178 59.1625 29.4807 179.0405 13 E 3.9627 8.0415 118.4410 58.8996 29.5399 179.3251 14 V 3.0830 7.7809 118.6996 65.7836 31.4873 178.1937 15 I 3.3432 6.7786 119.1522 64.4026 36.8388 178.3692 16 T 3.8232 7.6244 116.5607 66.7547 68.4772 176.2576 17 L 3.9948 7.7713 121.9032 58.0720 42.0828 179.0692 18 W 4.5535 8.4616 119.3523 59.5150 28.9132 177.9296 19 E 3.9902 8.5918 119.7235 59.6959 28.8655 179.3329 20 R 4.0265 7.6484 115.9346 58.8170 30.1428 177.8365 21 C 4.4727 7.8844 113.5379 58.3222 28.8104 172.7755 22 D 4.3698 7.7438 118.6917 55.3636 39.7034 173.9308 23 L 4.3447 7.8404 116.2729 54.6776 42.7157 177.4891 24 L 4.1847 7.7378 119.6270 54.3739 42.4275 176.4138 25 R 4.1946 7.7766 121.2775 53.1599 33.2223 174.8843 26 P 4.1363 0.0000 0.0000 65.2026 31.4062 177.5594 27 W 4.4540 7.1081 112.2682 56.8990 28.6583 175.5608 28 N 4.8815 7.3245 117.1839 51.2400 39.1210 173.6545 29 D 4.4822 9.1224 124.8724 53.0595 41.8218 174.3549 30 P 4.4826 0.0000 0.0000 66.1499 31.7699 178.7759 31 E 3.7841 8.1139 115.2500 57.2907 29.2481 178.3410 *33 D 4.5930 8.1249 121.3870 54.5303 42.8927 178.0664 34 I 3.6881 7.7705 119.1347 64.3382 37.0534 178.0395 35 E 4.2645 8.0961 118.3796 59.3913 29.6080 179.1002 36 R 4.1624 8.0361 117.6957 59.0613 30.1961 178.7306 37 K 4.0395 7.6585 117.9345 57.0055 32.3880 178.0272 *39 N 4.6467 8.1484 117.8218 53.4087 40.3725 174.7144 40 H 4.2743 8.1404 117.3813 56.1844 30.3342 174.2999 41 D 4.5170 7.9463 116.6053 53.9795 44.9271 176.6548 42 V 4.2242 8.0484 126.1100 62.4770 32.1424 177.2886 43 S 4.5436 8.4913 114.8656 59.4462 63.5973 174.5349 44 L 4.6088 7.9438 120.1685 54.4971 42.6823 175.1745 45 F 5.1351 8.4331 123.5131 57.6762 39.9784 174.3106 46 L 5.3530 9.4312 127.2529 53.2543 44.5586 176.2409 47 V 5.0687 8.5767 114.1395 59.5932 35.6676 174.4158 48 A 5.0026 8.9692 126.5692 50.6331 21.1981 175.7338 49 E 5.3907 9.1420 122.7656 53.3483 32.8630 174.6117 50 V 4.5356 8.1653 126.8087 62.1843 33.5116 175.1148 51 N 4.3463 9.7218 125.3555 54.6169 36.0261 174.6864 52 G 4.3888 8.2503 100.9558 45.4875 0.0000 172.9978 53 E 4.5287 7.6016 119.7284 53.8046 31.6478 175.3700 54 V 4.2772 8.1109 118.9040 61.1040 32.2446 176.2744 55 V 4.1052 8.5822 117.8551 61.2071 33.4646 175.4911 56 G 4.9383 7.7142 106.9200 45.3824 0.0000 171.9046 57 T 5.4967 8.4541 109.1717 60.6675 72.3236 172.8160 58 V 4.8417 8.2475 123.1335 60.6413 35.3214 173.5104 *60 G 3.9808 8.1785 107.4791 46.8339 0.0000 171.3542 61 G 4.3320 8.3384 105.2110 46.4531 0.0000 171.7790 62 Y 5.5545 7.9586 117.9017 56.5019 42.0620 174.0925 63 D 4.6302 8.2345 125.1754 52.9324 39.8007 177.2957 64 G 3.6506 6.6179 107.1594 46.4062 0.0000 174.0051 65 H 4.8182 7.9619 115.5610 57.0594 32.8032 173.3691 66 R 4.9504 9.0448 117.5210 54.4021 34.4628 175.5513 67 G 4.5627 9.3503 111.1857 46.1284 0.0000 172.3141 68 S 5.3028 9.0276 113.2595 57.1011 67.0544 173.1249 69 A 4.7251 7.5911 121.6162 50.9612 21.6056 175.0735 70 Y 4.5985 8.2683 119.0629 56.3557 41.9573 174.3799 71 Y 3.3548 7.8230 115.1366 58.9026 35.4124 171.1033 72 L 4.9797 7.7263 120.1687 54.5941 43.7251 176.4246 73 G 4.3984 8.8423 111.3382 45.4676 0.0000 172.0879 74 V 5.0501 8.2483 120.9243 60.5869 34.9031 174.6206 75 H 4.1974 9.7493 128.7544 56.1192 29.7148 174.1125 76 P 4.4719 0.0000 0.0000 65.9083 30.9855 177.5827 77 E 4.2563 8.5109 115.8829 57.4303 29.8451 176.7889 78 F 4.6096 8.5926 116.9628 57.0593 39.3463 176.1139 79 R 4.1561 7.5270 119.3437 57.2025 30.3930 177.1280 80 G 3.9259 8.8751 107.8405 46.0991 0.0000 174.1839 81 R 4.3785 8.0757 116.0324 55.6689 30.7826 176.8036 82 G 3.9719 8.2682 106.3657 46.0674 0.0000 175.7930 83 I 3.7578 7.8231 122.3045 64.0049 37.1037 178.0926 84 A 3.9883 7.9349 121.2693 55.0294 18.2473 178.9494 85 N 4.1898 8.1331 114.8759 56.9017 39.1270 176.7961 86 A 4.0108 8.0412 122.1173 54.9550 18.4407 179.6045 87 L 3.9562 8.2320 117.8102 58.0438 41.7241 179.5915 88 L 4.0543 8.0605 120.2290 57.9478 42.0101 178.4051 89 N 4.3067 8.4229 117.2536 56.7522 38.9664 176.7616 90 R 3.9056 8.0591 120.0767 59.2737 30.1465 178.1519 91 L 3.9603 8.0725 120.0341 58.3364 42.1716 178.6996 92 E 3.9935 8.5751 118.8524 59.4271 29.3526 179.6663 93 K 3.9721 8.1278 118.3422 59.4917 31.7923 179.4498 94 K 3.9834 8.6072 119.0289 59.4427 31.8930 179.4764 95 L 3.8240 8.0116 119.0409 57.8351 41.6216 179.1784 96 I 3.5727 7.6747 119.4871 64.6812 36.8572 178.2127 97 A 4.0202 8.2389 120.6672 54.4428 18.2047 178.8018 98 R 4.4189 7.2720 110.7682 56.0421 30.0168 177.2955 99 G 3.8932 7.9268 107.8585 45.2576 0.0000 173.4710 100 C 3.9933 7.5280 120.1410 58.3096 31.5357 171.7481 101 P 4.4909 0.0000 0.0000 64.4288 32.0182 175.9680 102 K 4.5500 7.6604 119.2117 54.9936 35.6200 174.0821 103 I 5.0125 8.3383 126.7447 59.3820 40.2565 174.3916 104 Q 4.8613 8.8054 126.8331 54.2222 32.5290 174.7563 105 I 4.4208 8.1250 122.2424 59.5183 40.7668 174.3882 106 N 4.6815 8.5168 122.5209 51.8770 39.5851 174.8862 107 V 4.3958 7.7903 115.9988 58.3349 34.5495 173.9101 108 P 4.3716 0.0000 0.0000 62.7173 31.7338 176.8606 109 E 4.0755 8.7602 120.3259 58.8939 29.8228 177.4439 110 D 4.4956 7.8525 116.5825 53.3796 40.5380 176.1343 111 N 4.6205 7.8933 118.6175 52.0355 36.6565 176.9294 112 D 4.6894 8.3597 130.2687 53.9176 40.2573 179.2943 *114 V 3.9641 7.8676 119.9683 62.8953 33.7064 175.8547 115 L 4.1831 8.0567 121.3784 58.2676 42.1451 180.8654 116 G 3.9460 8.2546 106.8933 45.9421 0.0000 175.0583 *118 Y 4.3867 8.0905 118.8670 57.7251 40.0384 177.3376 119 E 4.5027 8.4133 120.5283 59.0521 29.3221 179.5917 120 R 3.9656 7.8694 116.9440 58.7986 30.1194 177.4742 121 L 4.5926 7.7762 116.7253 54.2485 41.8471 177.1088 122 G 3.9082 8.1657 107.1357 45.9468 0.0000 173.3595 123 Y 4.1435 8.0860 117.2528 57.0123 38.7754 174.0095 124 E 4.7214 8.4954 124.4217 54.2055 31.7952 174.8177 125 H 4.3705 8.9129 125.9763 55.9951 30.5047 174.0855 126 A 4.5678 8.3222 129.5829 50.9626 20.7641 177.3046 127 D 4.6393 8.2078 122.3166 53.2206 39.4215 176.3006 128 V 4.5107 7.1280 112.3286 59.2646 35.9964 175.3680 129 L 4.4579 8.2895 122.4409 53.3629 42.7934 176.2577 130 S 4.4453 8.5466 118.5823 57.3451 63.0067 173.0315 131 L 4.8677 8.3925 127.1012 52.9200 44.6260 175.9889 132 G 4.1989 8.2140 108.9873 43.7910 0.0000 171.9379 133 K 4.4096 8.2331 121.2619 54.0118 34.9436 175.8020 134 R 4.0969 8.6228 126.8978 56.1987 30.6246 175.4747 135 L 4.5037 8.5399 124.5446 55.3844 43.3773 176.9509 136 I 4.5636 7.3838 117.9033 59.2960 40.2529 174.5231 137 E 4.3039 8.7726 125.2770 55.7950 30.2878 175.8016 138 D 4.7716 8.5208 123.6430 53.0243 42.1645 176.2361 139 E 4.2703 8.5210 121.6698 55.9419 30.7675 176.5572 140 E 4.1779 8.6393 119.2033 56.8484 29.6546 176.6472 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 E 8.30 4.42 0.00 1.93 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 2.29 2.35 0.00 3 I 8.24 4.87 1.89 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 1.41 0.25 0.94 0.00 0.00 4 R 8.81 4.71 0.00 1.82 1.98 0.00 2.70 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 5 V 8.26 4.31 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 0.92 0.00 0.00 1.03 0.00 0.00 6 F 9.01 4.06 0.00 1.97 2.54 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 7 R 8.63 4.37 0.00 1.52 1.56 0.00 3.09 0.00 0.00 2.99 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 8 Q 8.40 3.99 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 9 E 7.83 3.94 0.00 2.05 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 2.08 2.15 0.00 10 D 8.66 4.37 0.00 1.96 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.03 4.12 0.00 3.47 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 12 E 8.33 4.10 0.00 2.06 2.01 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 2.61 2.41 0.00 13 E 8.04 3.96 0.00 2.07 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 2.33 2.37 0.00 14 V 7.78 3.08 1.76 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 -0.34 0.00 0.00 0.86 0.00 0.00 15 I 6.78 3.34 1.69 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.04 0.92 0.00 0.00 16 T 7.62 3.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 17 L 7.77 3.99 0.00 1.77 1.74 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 W 8.46 4.55 0.00 3.55 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 19 E 8.59 3.99 0.00 2.25 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 2.34 2.40 0.00 20 R 7.65 4.03 0.00 1.90 1.92 0.00 3.37 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 21 C 7.88 4.47 0.00 3.13 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 22 D 7.74 4.37 0.00 2.74 2.68 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 23 L 7.84 4.34 0.00 1.68 1.48 1.07 0.81 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 24 L 7.74 4.18 0.00 1.63 1.58 1.03 1.07 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 25 R 7.78 4.19 0.00 0.74 0.66 0.00 2.68 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.11 0.00 26 P 0.00 4.14 0.00 2.12 2.11 0.00 2.68 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 27 W 7.11 4.45 0.00 3.36 3.32 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 28 N 7.32 4.88 0.00 2.43 2.93 0.00 0.00 6.89 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 29 D 9.12 4.48 0.00 2.66 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 30 P 0.00 4.48 0.00 2.36 2.54 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 31 E 8.11 3.78 0.00 2.30 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 0.00 2.57 2.40 0.00 *33 D 8.12 4.59 0.00 2.83 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 34 I 7.77 3.69 1.90 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.91 0.00 0.00 35 E 8.10 4.26 0.00 2.06 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 2.83 2.62 0.00 36 R 8.04 4.16 0.00 2.04 1.98 0.00 3.11 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 37 K 7.66 4.04 0.00 1.83 1.83 0.00 1.62 0.00 0.00 1.55 0.00 0.00 3.04 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.20 1.59 7.81 *39 N 8.15 4.65 0.00 2.87 2.93 0.00 0.00 7.15 7.89 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 40 H 8.14 4.27 0.00 3.24 3.32 0.00 6.07 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.95 4.52 0.00 2.62 2.59 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 0.00 0.00 0.00 0.00 42 V 8.05 4.22 2.28 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 0.87 0.00 0.00 1.31 0.00 0.00 43 S 8.49 4.54 0.00 4.09 4.15 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 44 L 7.94 4.61 0.00 1.95 1.79 1.05 1.04 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 45 F 8.43 5.14 0.00 3.16 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 46 L 9.43 5.35 0.00 1.71 1.62 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.58 5.07 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 0.62 0.00 0.00 0.85 0.00 0.00 48 A 8.97 5.00 1.21 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 0.00 0.00 0.00 49 E 9.14 5.39 0.00 1.92 1.72 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 2.19 2.01 0.00 50 V 8.17 4.54 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 1.20 0.00 0.00 0.96 0.00 0.00 51 N 9.72 4.35 0.00 2.89 2.86 0.00 0.00 7.09 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 52 G 8.25 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 0.00 0.00 0.00 0.00 53 E 7.60 4.53 0.00 1.88 1.70 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 1.92 2.07 0.00 54 V 8.11 4.28 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 0.65 0.00 0.00 0.82 0.00 0.00 55 V 8.58 4.11 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 -0.46 0.00 0.00 0.74 0.00 0.00 56 G 7.71 4.94 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 57 T 8.45 5.50 4.75 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 1.29 0.00 0.00 58 V 8.25 4.84 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 1.13 0.00 0.00 1.02 0.00 0.00 *60 G 8.18 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.34 4.33 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 0.00 62 Y 7.96 5.55 0.00 3.00 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 63 D 8.23 4.63 0.00 2.72 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 64 G 6.62 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.96 4.82 0.00 2.99 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 9.04 4.95 0.00 1.71 1.78 0.00 3.32 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 67 G 9.35 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.03 5.30 0.00 3.43 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 69 A 7.59 4.73 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 70 Y 8.27 4.60 0.00 2.78 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 71 Y 7.82 3.35 0.00 2.89 2.53 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 72 L 7.73 4.98 0.00 1.72 1.63 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.84 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 0.00 0.00 0.00 0.00 74 V 8.25 5.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.01 0.00 0.00 75 H 9.75 4.20 0.00 3.28 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.47 0.00 2.28 2.34 0.00 3.43 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 2.00 1.97 0.00 77 E 8.51 4.26 0.00 2.09 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 2.50 2.36 0.00 78 F 8.59 4.61 0.00 3.11 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 79 R 7.53 4.16 0.00 2.09 1.89 0.00 3.24 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 80 G 8.88 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 0.00 0.00 0.00 81 R 8.08 4.38 0.00 1.86 1.98 0.00 3.16 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 82 G 8.27 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.82 3.76 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.73 0.95 0.00 0.00 84 A 7.93 3.99 1.30 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 85 N 8.13 4.19 0.00 2.75 3.00 0.00 0.00 7.07 7.75 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 86 A 8.04 4.01 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 87 L 8.23 3.96 0.00 1.93 1.80 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.06 4.05 0.00 2.03 1.71 1.01 0.28 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 89 N 8.42 4.31 0.00 3.03 2.99 0.00 0.00 6.83 7.34 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 90 R 8.06 3.91 0.00 2.11 2.09 0.00 3.22 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 91 L 8.07 3.96 0.00 1.88 1.87 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.58 3.99 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 93 K 8.13 3.97 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.72 7.81 94 K 8.61 3.98 0.00 2.01 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.52 7.81 95 L 8.01 3.82 0.00 1.80 1.52 0.91 0.57 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 96 I 7.67 3.57 1.96 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 1.40 0.74 0.88 0.00 0.00 97 A 8.24 4.02 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 98 R 7.27 4.42 0.00 2.06 2.04 0.00 3.06 0.00 0.00 3.41 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.31 0.00 99 G 7.93 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 0.00 100 C 7.53 3.99 0.00 1.72 2.50 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 0.00 0.00 0.00 0.00 101 P 0.00 4.49 0.00 2.20 2.16 0.00 4.02 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 2.04 1.98 0.00 102 K 7.66 4.55 0.00 1.78 1.59 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.39 7.81 103 I 8.34 5.01 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.94 0.00 0.00 104 Q 8.81 4.86 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 105 I 8.13 4.42 1.32 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.20 0.00 0.00 106 N 8.52 4.68 0.00 2.66 2.70 0.00 0.00 6.92 7.68 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 0.00 107 V 7.79 4.40 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 0.36 0.00 0.00 0.84 0.00 0.00 108 P 0.00 4.37 0.00 2.03 1.99 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 109 E 8.76 4.08 0.00 2.05 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 2.26 2.28 0.00 110 D 7.85 4.50 0.00 2.80 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 0.00 111 N 7.89 4.62 0.00 2.93 3.05 0.00 0.00 6.25 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 0.00 112 D 8.36 4.69 0.00 2.73 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 *114 V 7.87 3.96 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 0.92 0.00 0.00 0.98 0.00 0.00 115 L 8.06 4.18 0.00 1.92 1.86 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.25 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 *118 Y 8.09 4.39 0.00 3.14 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 0.00 119 E 8.41 4.50 0.00 2.22 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 0.00 2.55 2.41 0.00 120 R 7.87 3.97 0.00 1.92 2.03 0.00 3.25 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 121 L 7.78 4.59 0.00 2.16 1.94 0.80 1.00 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 0.00 122 G 8.17 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 0.00 123 Y 8.09 4.14 0.00 3.19 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 0.00 124 E 8.50 4.72 0.00 1.88 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 2.18 2.32 0.00 125 H 8.91 4.37 0.00 3.14 3.22 0.00 5.79 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 0.00 126 A 8.32 4.57 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 0.00 127 D 8.21 4.64 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.13 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 0.93 0.00 0.00 129 L 8.29 4.46 0.00 1.61 1.58 0.91 0.85 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 0.00 130 S 8.55 4.45 0.00 3.81 3.75 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 0.00 131 L 8.39 4.87 0.00 1.61 1.49 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.21 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 0.00 0.00 0.00 0.00 133 K 8.23 4.41 0.00 1.63 1.61 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.36 7.81 134 R 8.62 4.10 0.00 1.73 1.78 0.00 3.51 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 135 L 8.54 4.50 0.00 1.64 1.67 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.38 4.56 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 1.42 0.60 0.92 0.00 0.00 137 E 8.77 4.30 0.00 1.97 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 2.31 2.33 0.00 138 D 8.52 4.77 0.00 2.92 2.63 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 0.00 139 E 8.52 4.27 0.00 2.10 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 2.30 2.35 0.00 140 E 8.64 4.18 0.00 2.01 1.92 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 2.34 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.