NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.7848 8.4449 116.3586 55.0930 30.1177 173.2914 5 I 3.8985 7.9733 121.2618 62.3777 37.8821 172.6990 6 E 4.5491 9.8025 128.0879 54.8740 31.8013 175.1126 7 R 4.9863 8.1575 122.0562 54.3853 33.5842 175.0855 8 F 4.6540 8.3327 118.5920 56.4596 43.0483 174.7770 9 E 3.7492 8.6510 119.8709 57.3236 26.4629 173.5013 10 V 4.7062 7.4180 116.9970 61.1353 33.5045 174.8407 11 V 4.6180 8.4271 119.0758 59.0292 35.5745 176.5539 12 K 3.9139 8.7425 119.5123 59.8911 31.8985 178.8763 13 R 4.0823 8.0038 117.8839 58.8670 30.4914 176.0557 14 R 4.3939 7.5446 110.5020 55.4232 32.3019 173.1201 15 A 4.9210 8.3693 122.1093 50.9841 20.4506 177.5736 16 E 4.1603 8.6707 120.5134 58.3788 30.6574 176.5762 *18 A 4.7826 7.8504 121.8354 51.6871 20.6219 174.9858 19 L 5.1653 9.3424 124.5478 53.6020 44.7987 174.6241 20 H 4.8089 9.4983 126.5453 54.4866 32.2630 175.3000 21 G 3.8075 8.9318 118.5942 47.0903 0.0000 172.6398 22 N 4.8736 9.0612 120.9807 52.7796 39.2148 173.1461 23 T 4.9047 8.0615 116.2252 61.6781 71.5347 173.2361 24 V 4.7840 8.7656 126.0973 61.3202 33.9897 173.6820 25 Y 5.0352 9.2383 125.9977 56.2915 40.1500 175.0924 26 I 4.6296 8.7910 125.7234 59.4978 39.9854 176.5295 27 G 4.0527 8.6591 115.4380 45.2566 0.0000 172.7043 28 G 4.0953 8.5904 107.1085 46.1681 0.0000 173.2817 29 Q 4.5987 8.6475 124.3035 54.0962 30.7678 175.2535 30 V 4.3666 7.6205 114.4810 58.5546 35.4193 175.0569 31 A 4.0499 8.0485 124.3838 52.0789 18.6160 177.7125 32 D 4.4018 8.8316 122.8098 56.2556 41.5501 175.4204 33 D 4.8384 8.3325 118.9426 51.7910 40.8085 172.5517 34 P 4.8517 0.0000 0.0000 62.5274 31.6481 178.2004 35 S 4.2210 8.2125 115.5634 60.8657 63.2681 174.4263 36 G 3.9344 7.7111 109.7852 44.0657 0.0000 172.6374 37 D 4.7100 8.1943 119.6438 52.2922 41.9577 176.6938 38 I 3.6640 8.2157 118.0744 64.3975 37.8465 177.4597 39 Q 3.9819 8.1063 118.3287 59.0427 28.6318 178.2523 40 D 4.3147 8.6772 119.1499 57.5639 41.3218 178.3686 41 Q 4.0116 8.2781 118.6047 59.0881 28.5893 178.7957 42 T 3.7798 8.2487 117.2473 66.5639 68.4330 176.5678 43 R 3.4589 7.8631 120.4697 59.4044 30.0330 178.4322 44 Q 3.9483 8.0223 117.6934 59.0919 28.6357 179.1102 45 I 3.6141 7.6579 120.5779 64.3920 37.1000 178.5679 46 L 3.7318 7.7814 119.9975 57.5834 41.1972 179.4787 47 E 4.1190 8.3072 119.0183 59.4539 29.3355 178.8950 48 N 4.3326 8.3510 117.2247 56.6213 38.9005 176.9174 49 I 3.6814 8.0777 121.6344 64.4089 37.1129 177.8339 50 D 4.4230 8.3374 119.8052 57.5813 40.7956 179.1140 51 R 3.8550 8.0549 118.7739 59.3957 29.6384 178.5023 52 L 3.9006 8.1176 118.9650 57.7987 41.5470 179.5341 53 L 3.7827 8.1932 119.2427 57.8606 41.5994 179.4039 54 Q 4.0661 8.3549 119.9505 59.0332 28.7651 178.2353 55 S 4.2740 7.8630 113.9596 60.1818 63.0019 175.2247 56 V 4.0815 6.8583 114.0045 60.8304 31.7938 176.0794 57 G 3.7839 8.0039 107.4086 46.0968 0.0000 173.7124 58 S 4.8814 7.6335 115.6411 57.0194 64.8186 171.7196 59 D 4.5428 7.8924 118.0304 52.5069 41.3953 175.9281 60 R 3.9772 8.6461 119.1179 59.0935 29.9357 177.0343 61 G 3.9768 8.2824 104.6514 45.9553 0.0000 173.8640 62 Q 4.5684 8.2198 118.7163 55.3683 29.3138 175.0942 63 V 4.1999 7.6948 117.8249 62.5506 32.7741 175.1725 64 L 4.6283 8.8693 126.8965 56.1621 43.5585 176.6855 65 S 5.2799 7.6559 111.5965 56.1921 66.9165 172.9975 66 V 4.8366 8.8093 121.7325 61.3006 34.5785 173.8869 67 R 4.7890 8.9143 129.2801 55.3236 31.2171 175.2997 68 I 4.5278 8.7850 127.8280 59.5676 40.0357 174.5391 69 L 4.8141 9.0191 128.5963 53.1684 43.4173 175.1938 70 L 4.9246 8.6314 127.0347 53.2215 43.6288 177.0678 71 A 4.3513 8.8300 128.7454 54.0967 19.2158 177.7206 72 H 4.8669 7.8839 111.7014 53.1444 32.5470 174.2170 73 R 3.8756 8.8895 123.9637 59.7936 29.6432 178.3502 74 E 4.1216 8.2523 116.4123 58.8313 29.6804 177.8532 75 D 4.7106 8.1580 117.7638 54.7207 41.2254 177.5931 76 Y 4.1518 8.1530 121.5992 60.7586 38.8131 177.7241 77 A 3.9843 8.1786 121.3322 55.0983 17.9958 179.7032 78 G 3.5117 8.0246 103.7799 47.5995 0.0000 175.2608 79 L 3.9731 8.1022 123.0373 58.3999 42.0323 179.1257 80 N 4.3849 8.0557 115.9297 55.9123 38.1128 177.2022 81 Q 3.9695 7.8821 120.7672 59.1953 29.2884 178.4833 82 V 3.7981 7.5182 118.1907 65.7580 31.6900 177.6958 83 W 4.1190 8.3762 128.1751 60.7627 30.3797 177.5588 84 D 4.7209 8.7137 117.3315 56.4168 40.3462 177.5556 85 Q 4.4530 7.6933 116.7714 55.4540 29.3040 176.1128 86 W 4.0516 7.8549 130.4124 59.2630 31.2549 176.6937 87 F 4.2625 7.6214 114.9464 55.5826 39.6572 173.7841 88 P 4.2399 0.0000 0.0000 62.2613 31.7680 175.5936 89 E 3.9781 8.6730 121.5607 58.0979 29.6046 177.2290 90 G 3.9520 9.0217 113.1371 46.2353 0.0000 173.5163 91 R 4.5146 8.0134 115.8309 55.2959 30.9421 175.8266 92 A 3.5084 7.9631 121.0551 51.7131 18.7107 176.4216 93 P 4.7330 0.0000 0.0000 61.9604 32.9045 175.9282 94 T 4.2033 8.4596 110.1964 62.0703 69.8808 173.4574 95 R 4.9424 8.3120 121.7574 55.0078 33.7998 174.1922 96 A 4.5254 8.8481 126.5766 50.7270 22.3400 174.3207 97 C 5.8345 8.9809 122.8681 57.1714 34.0270 172.9904 98 S 4.7269 8.2763 118.8823 56.5945 66.8920 172.6648 99 L 4.8441 8.3792 119.4016 54.7903 42.3507 176.5120 100 A 4.6267 8.7941 122.2886 50.8567 23.2802 175.1218 101 E 4.3188 8.7052 121.3055 54.9612 30.1882 176.1040 102 L 4.7167 8.1731 126.1219 53.3461 43.6740 177.1495 103 I 3.7051 8.5932 121.0494 64.2667 37.4216 176.3734 104 D 4.1464 6.4391 120.6368 51.6846 41.3357 175.0737 105 P 4.3600 0.0000 0.0000 65.0300 31.4870 177.6366 106 R 4.0837 8.0943 118.1975 58.2109 30.2775 177.1143 107 W 4.7032 7.6635 118.7862 57.0508 29.3914 176.2053 108 R 4.6259 9.6515 122.6591 57.1500 30.9973 176.4737 109 V 4.8360 7.3914 115.7187 60.9763 34.1479 171.9291 110 E 5.2972 8.5948 122.4101 53.9876 34.0962 173.4525 *112 I 4.2405 8.1028 119.5397 61.1879 38.8693 175.3072 113 V 4.9191 8.6484 125.4134 61.0685 35.1057 174.1441 114 V 4.7395 8.7494 126.4461 61.1443 34.4912 174.1450 115 A 5.2667 8.9363 127.8695 50.7051 23.3243 174.1884 116 A 5.1099 8.7642 120.6627 50.3650 21.9185 176.6931 117 R 4.4017 8.6426 119.3867 54.1844 32.6532 175.2507 118 E 4.1393 8.8976 125.0530 56.8288 29.4512 177.0337 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 4 H 8.44 4.78 0.00 3.29 3.45 0.00 5.52 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.97 3.90 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.97 0.00 0.00 6 E 9.80 4.55 0.00 2.06 1.60 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 2.22 2.29 0.00 7 R 8.16 4.99 0.00 1.53 1.76 0.00 3.12 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 8 F 8.33 4.65 0.00 2.88 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 9 E 8.65 3.75 0.00 2.22 1.99 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 2.38 2.39 0.00 10 V 7.42 4.71 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 0.87 0.00 0.00 0.89 0.00 0.00 11 V 8.43 4.62 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 0.83 0.00 0.00 1.04 0.00 0.00 12 K 8.74 3.91 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 13 R 8.00 4.08 0.00 1.79 1.97 0.00 3.31 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 14 R 7.54 4.39 0.00 2.00 1.97 0.00 3.02 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 15 A 8.37 4.92 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 16 E 8.67 4.16 0.00 2.15 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 2.57 2.64 0.00 *18 A 7.85 4.78 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 19 L 9.34 5.17 0.00 1.93 1.79 1.09 0.93 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 20 H 9.50 4.81 0.00 3.26 3.37 0.00 5.80 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 21 G 8.93 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 22 N 9.06 4.87 0.00 2.76 2.86 0.00 0.00 6.65 7.05 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 23 T 8.06 4.90 4.32 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 0.86 0.00 0.00 24 V 8.77 4.78 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 1.02 0.00 0.00 0.89 0.00 0.00 25 Y 9.24 5.04 0.00 2.88 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 26 I 8.79 4.63 1.90 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 1.18 1.06 0.98 0.00 0.00 27 G 8.66 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 28 G 8.59 4.10 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 29 Q 8.65 4.60 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.68 0.00 0.00 0.00 0.00 0.00 2.54 2.26 0.00 30 V 7.62 4.37 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 0.00 0.00 -0.40 0.00 0.00 0.08 0.00 0.00 31 A 8.05 4.05 1.24 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 0.00 0.00 0.00 32 D 8.83 4.40 0.00 2.63 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 33 D 8.33 4.84 0.00 2.63 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 34 P 0.00 4.85 0.00 2.54 2.47 0.00 3.90 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 35 S 8.21 4.22 0.00 4.06 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 36 G 7.71 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 37 D 8.19 4.71 0.00 2.98 2.86 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 38 I 8.22 3.66 2.08 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 1.91 1.41 0.90 0.00 0.00 39 Q 8.11 3.98 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 40 D 8.68 4.31 0.00 2.85 2.80 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 41 Q 8.28 4.01 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 42 T 8.25 3.78 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 1.18 0.00 0.00 43 R 7.86 3.46 0.00 1.92 2.04 0.00 3.12 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 44 Q 8.02 3.95 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 45 I 7.66 3.61 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.84 0.00 0.00 46 L 7.78 3.73 0.00 0.39 0.13 -0.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.31 4.12 0.00 2.14 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 2.57 2.55 0.00 48 N 8.35 4.33 0.00 2.88 2.77 0.00 0.00 7.24 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 49 I 8.08 3.68 2.04 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 1.53 0.66 0.98 0.00 0.00 50 D 8.34 4.42 0.00 2.90 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 51 R 8.05 3.86 0.00 1.90 2.09 0.00 3.10 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 1.61 1.67 0.00 52 L 8.12 3.90 0.00 1.83 1.63 0.91 0.94 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 53 L 8.19 3.78 0.00 1.85 1.69 1.03 0.93 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 54 Q 8.35 4.07 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 55 S 7.86 4.27 0.00 4.03 4.03 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 56 V 6.86 4.08 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 -0.04 0.00 0.00 0.85 0.00 0.00 57 G 8.00 3.78 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 0.00 0.00 0.00 58 S 7.63 4.88 0.00 3.78 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 59 D 7.89 4.54 0.00 2.86 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 60 R 8.65 3.98 0.00 1.83 1.93 0.00 2.77 0.00 0.00 2.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 61 G 8.28 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 62 Q 8.22 4.57 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 63 V 7.69 4.20 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 0.89 0.00 0.00 1.13 0.00 0.00 64 L 8.87 4.63 0.00 1.72 1.63 0.87 0.79 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 65 S 7.66 5.28 0.00 3.84 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 66 V 8.81 4.84 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 1.09 0.00 0.00 1.18 0.00 0.00 67 R 8.91 4.79 0.00 1.83 1.82 0.00 3.48 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 68 I 8.79 4.53 1.70 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.33 0.80 0.00 0.00 69 L 9.02 4.81 0.00 1.55 1.60 0.93 0.21 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 70 L 8.63 4.92 0.00 1.76 1.61 1.03 1.11 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 71 A 8.83 4.35 1.16 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 0.00 0.00 72 H 7.88 4.87 0.00 3.17 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.89 3.88 0.00 1.84 1.94 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 74 E 8.25 4.12 0.00 1.98 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 2.33 2.49 0.00 75 D 8.16 4.71 0.00 2.96 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 76 Y 8.15 4.15 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 3.98 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 78 G 8.02 3.51 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 0.00 0.00 0.00 79 L 8.10 3.97 0.00 1.74 1.82 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.06 4.38 0.00 2.69 2.93 0.00 0.00 6.74 7.06 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 81 Q 7.88 3.97 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 82 V 7.52 3.80 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 0.85 0.00 0.00 1.01 0.00 0.00 83 W 8.38 4.12 0.00 3.57 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 84 D 8.71 4.72 0.00 2.84 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 85 Q 7.69 4.45 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 86 W 7.85 4.05 0.00 3.25 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.62 4.26 0.00 3.01 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 88 P 0.00 4.24 0.00 2.16 1.93 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 89 E 8.67 3.98 0.00 1.90 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 2.29 2.33 0.00 90 G 9.02 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 91 R 8.01 4.51 0.00 1.93 1.90 0.00 3.17 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 92 A 7.96 3.51 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 93 P 0.00 4.73 0.00 2.04 1.91 0.00 2.80 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.49 0.00 94 T 8.46 4.20 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 1.20 0.00 0.00 95 R 8.31 4.94 0.00 1.85 1.75 0.00 2.21 0.00 0.00 2.93 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.20 0.00 96 A 8.85 4.53 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 97 C 8.98 5.83 0.00 2.83 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 98 S 8.28 4.73 0.00 3.82 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 99 L 8.38 4.84 0.00 1.52 1.60 0.88 0.73 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 0.00 100 A 8.79 4.63 1.20 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 0.00 101 E 8.71 4.32 0.00 1.93 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 2.24 2.31 0.00 102 L 8.17 4.72 0.00 1.84 2.00 1.10 1.02 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 0.00 103 I 8.59 3.71 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 1.45 0.85 0.82 0.00 0.00 104 D 6.44 4.15 0.00 1.58 1.54 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 0.00 105 P 0.00 4.36 0.00 2.16 2.10 0.00 3.55 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 106 R 8.09 4.08 0.00 1.82 2.23 0.00 3.16 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 107 W 7.66 4.70 0.00 3.53 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 0.00 108 R 9.65 4.63 0.00 1.89 2.02 0.00 3.24 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 109 V 7.39 4.84 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 0.55 0.00 0.00 0.90 0.00 0.00 110 E 8.59 5.30 0.00 1.92 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 2.13 2.12 0.00 *112 I 8.10 4.24 1.89 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 1.23 0.50 0.95 0.00 0.00 113 V 8.65 4.92 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 1.00 0.00 0.00 114 V 8.75 4.74 1.99 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 0.59 0.00 0.00 0.92 0.00 0.00 115 A 8.94 5.27 1.19 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 0.00 0.00 116 A 8.76 5.11 1.16 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 0.00 0.00 117 R 8.64 4.40 0.00 1.74 1.78 0.00 3.39 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 118 E 8.90 4.14 0.00 1.99 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 2.30 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.