NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2585 8.4293 121.4725 56.1311 30.7964 176.1505 3 T 4.1050 8.1766 117.0787 60.5294 71.2783 173.9362 4 A 4.0121 8.8223 124.4198 55.1789 18.8471 180.9498 5 A 4.1350 7.9844 118.7213 55.2507 18.5638 179.5639 6 A 3.9998 8.0181 119.1949 55.1836 18.3734 179.7706 7 K 3.9167 8.3414 118.2914 59.4944 32.1881 178.8369 8 F 4.0942 8.3931 121.0318 61.3551 39.3596 176.9633 9 E 4.0508 8.3692 118.1176 59.4426 29.0401 179.4000 10 R 3.8954 7.9220 117.6999 59.5409 30.2679 178.2188 11 Q 3.9732 8.0415 116.7668 57.7124 29.0619 176.3571 12 H 4.6158 8.0623 113.7528 53.8910 30.6857 172.6673 13 M 4.8055 7.7894 119.9246 53.8537 33.8996 176.6861 14 D 4.8385 8.8113 122.4668 53.5080 42.3308 175.8579 15 S 4.6155 7.9098 116.6949 60.6673 63.6835 176.4645 16 S 4.0403 7.9737 115.9706 61.5710 62.5024 175.2244 *21 S 4.1711 7.5599 113.0411 58.1065 64.1079 174.4621 22 S 4.4606 7.5130 113.5811 57.5172 63.7416 175.1960 23 S 4.2673 8.6257 115.4578 60.4245 62.9790 174.6534 24 N 4.9102 7.7165 117.3593 52.6343 37.8438 175.5536 25 Y 3.9945 8.1164 121.6728 61.6593 38.6580 177.7699 26 C 4.2219 8.5722 117.1945 60.0164 38.5344 175.8417 27 N 4.4060 8.1884 117.5988 56.4093 38.1483 177.3850 28 Q 3.9394 7.9484 119.2658 59.1936 28.9602 178.5083 29 M 3.8988 7.8453 121.2287 58.0568 31.7465 178.7757 30 M 4.0233 8.0246 118.9962 57.9532 31.9810 178.7940 31 K 4.0477 7.7267 121.7604 58.6654 32.4560 179.1025 32 S 4.1770 8.1497 114.4676 60.8933 62.4985 175.5372 33 R 4.5094 7.7342 119.5186 54.8293 30.2093 175.7318 34 N 4.2068 7.8789 114.6398 54.5640 36.6299 174.8805 35 L 4.5235 8.1806 116.3061 55.1769 42.0512 177.7684 36 T 5.3758 7.4127 108.7150 60.3300 69.3904 176.4198 37 K 4.0847 8.4335 123.3934 60.4577 32.5906 177.4456 38 D 4.6126 7.9380 117.0470 56.0206 41.7728 176.3990 39 R 3.7766 7.2198 112.8693 55.2084 31.4802 174.4456 40 C 4.5906 8.6703 116.6482 55.9517 39.8166 173.8813 41 K 4.1468 8.3082 126.3007 55.8687 32.2941 174.3870 42 P 4.7035 0.0000 0.0000 65.4025 31.9252 176.5021 43 V 5.1222 7.5770 115.5463 60.5266 34.6154 173.4615 44 N 4.7822 8.8325 119.3978 52.9252 42.8747 173.0550 45 T 4.8358 7.8268 119.7376 61.5934 72.3850 172.6245 46 F 4.8274 9.0144 124.3953 55.6224 42.0608 174.5139 47 V 4.4573 8.9773 123.7314 61.7432 33.1718 175.5598 48 H 5.6314 9.0170 123.9849 55.4905 29.7900 175.3904 49 E 4.4801 8.0562 118.7684 55.2131 30.7024 176.9069 50 S 4.4024 8.2788 114.8773 58.1692 65.0625 174.8768 51 L 4.0061 8.5238 124.1923 58.3369 41.8524 179.1389 52 A 4.0167 7.9893 120.2112 55.3789 18.1695 179.1924 53 D 4.3380 7.8720 116.2100 57.4805 41.1574 178.9262 54 V 3.8110 7.8520 118.6139 66.0580 31.4707 178.2087 55 Q 3.9532 8.6296 117.9464 58.5927 28.4865 178.3845 56 A 4.0715 7.9642 121.6478 54.4655 18.2954 179.6298 57 V 3.5603 7.6191 117.0355 65.8715 31.3179 176.9855 58 C 3.7862 7.6797 115.0330 58.0646 39.9311 174.1396 59 S 4.6182 7.4830 113.9139 57.9400 63.8735 174.9226 60 Q 4.4209 7.5121 123.5292 55.8200 27.5398 177.1529 61 K 4.1184 7.4884 129.2214 57.2614 32.9629 175.9427 62 N 4.4637 8.7590 127.6760 53.6101 39.4699 174.3659 63 V 4.5894 8.4085 118.4980 59.1098 36.7634 174.8778 64 A 4.1196 8.3890 125.0802 52.3077 19.0172 178.5801 65 C 4.7009 8.9175 119.9122 56.1007 41.1781 175.2829 66 K 3.7309 9.0508 122.2701 59.5533 31.6561 178.1108 67 N 4.5056 8.0154 113.3454 53.1793 37.7008 175.7348 68 G 3.9558 8.2254 108.5678 45.4871 0.0000 174.1512 69 Q 4.2165 8.6034 119.4716 56.2345 29.2582 176.5359 70 T 4.3891 8.2804 107.9905 61.7045 69.3581 174.0872 71 N 4.9920 7.8418 119.4989 53.8207 38.4996 174.9862 72 C 5.3427 7.4152 115.6766 56.7410 44.6803 172.8798 73 Y 5.1250 8.8448 118.7467 56.3797 41.8812 173.9018 74 Q 5.0804 9.0413 125.5104 54.1075 31.3321 174.8537 75 S 4.4048 8.6843 121.8791 58.5933 63.1868 174.3719 76 Y 4.4788 9.1110 121.4011 60.2689 37.9800 176.3965 77 S 4.9668 7.8098 113.9818 56.3263 65.8339 173.7576 78 T 4.1505 8.1306 112.6539 62.1310 69.7627 173.4931 79 M 5.0348 9.1724 122.3163 53.3828 36.5516 174.7506 80 S 4.9814 9.4050 117.8960 58.3648 63.5462 173.0991 81 I 5.1861 9.1736 120.2019 59.6303 41.8552 174.1281 82 T 4.9582 8.8501 119.0478 61.9438 71.9946 172.5545 83 D 5.1173 9.3008 127.3158 53.2158 43.3601 174.2193 84 C 5.5962 9.4591 123.3509 55.3190 38.7365 173.0552 85 R 5.3081 8.7332 121.9897 53.9957 33.4126 174.5798 86 E 4.0870 9.0946 126.3039 56.3446 30.0629 176.8415 87 T 4.1624 8.4724 117.7002 61.0614 70.3172 176.0163 88 G 3.6386 8.6187 110.7302 48.5215 0.0000 175.2169 89 S 4.2232 7.8786 112.2252 59.2791 63.3836 174.0938 90 S 4.1818 7.3051 116.3163 58.0725 62.6198 173.3049 91 K 4.5855 8.3495 125.3686 54.3147 35.3507 175.3731 92 Y 4.2956 8.7384 125.1164 57.2870 39.1567 174.3152 93 P 3.2281 0.0000 0.0000 63.8884 31.8501 176.9712 94 N 4.5743 7.5664 118.5917 52.3963 36.8589 171.7516 95 C 4.5185 8.1718 117.2610 56.2087 42.0545 172.9117 96 A 5.0876 8.8085 127.0990 50.4874 20.9324 175.1330 97 Y 5.2324 9.6931 119.0189 56.0344 42.4183 174.9059 98 K 4.4973 9.2998 123.9485 55.5427 33.9469 175.2432 99 T 4.8682 8.5937 124.6293 62.8675 69.9289 174.4475 100 T 4.5743 8.6641 122.7465 61.8329 72.1819 173.1060 101 Q 4.8068 8.8054 127.8012 55.7976 30.4252 174.2710 102 A 4.5902 8.8032 125.3754 51.3610 23.6558 175.0756 103 N 5.3631 8.7043 115.7801 51.7335 40.9683 174.1112 104 K 4.7581 8.7045 122.1188 54.7311 37.7599 175.5428 105 H 4.8571 9.2151 119.0617 55.7893 29.9396 174.9666 106 I 4.8570 8.5556 115.2236 59.2372 40.8334 174.3483 107 I 4.8628 8.3234 124.3372 59.7013 40.0526 175.0773 108 V 4.7450 8.6115 119.3285 59.3488 36.0459 174.4319 109 A 5.0468 8.8408 125.2980 51.1013 20.6239 175.7211 110 C 5.1650 8.7565 118.7288 55.3727 39.8059 173.1860 111 E 4.6545 8.5966 119.7814 56.4752 34.6172 175.7066 112 G 4.0457 9.5441 108.7020 45.0229 0.0000 171.9245 113 N 5.0566 8.2237 116.3598 50.8048 40.2921 172.2435 114 P 4.2830 0.0000 0.0000 62.7993 31.8662 175.7910 115 Y 4.8361 8.3601 121.8699 57.3909 38.9022 174.6278 116 V 4.4353 8.1815 119.4778 58.3658 36.7435 173.4462 117 P 4.4596 0.0000 0.0000 62.9241 30.9790 177.0042 118 V 4.4893 8.6262 115.8039 61.1826 34.0812 175.3367 119 H 5.0575 7.9119 119.8667 54.7766 33.5130 171.7142 120 F 4.6886 8.7228 128.1276 57.4422 39.3178 174.4859 121 D 4.5361 8.4211 127.0669 56.3433 41.9666 175.6975 122 A 4.5770 6.5116 117.3995 51.4835 22.6010 174.7691 123 S 5.1166 8.8112 113.1895 56.7395 65.8228 174.7370 124 V 4.1424 9.0397 116.4094 61.4903 32.3035 175.4692 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 8.43 4.26 0.00 1.96 1.95 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 2.21 2.33 0.00 3 T 8.18 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 1.23 0.00 0.00 4 A 8.82 4.01 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 5 A 7.98 4.14 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 6 A 8.02 4.00 1.37 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 0.00 0.00 0.00 7 K 8.34 3.92 0.00 1.98 2.07 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 8 F 8.39 4.09 0.00 3.19 3.25 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 0.00 9 E 8.37 4.05 0.00 2.33 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 2.51 2.69 0.00 10 R 7.92 3.90 0.00 1.82 2.09 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 8.04 3.97 0.00 1.55 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 12 H 8.06 4.62 0.00 2.02 2.63 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.79 4.81 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.67 0.00 14 D 8.81 4.84 0.00 2.72 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 15 S 7.91 4.62 0.00 3.94 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 16 S 7.97 4.04 0.00 3.87 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 *21 S 7.56 4.17 0.00 3.59 3.74 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 22 S 7.51 4.46 0.00 4.07 4.01 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 23 S 8.63 4.27 0.00 4.03 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 24 N 7.72 4.91 0.00 2.98 3.07 0.00 0.00 6.41 7.45 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 25 Y 8.12 3.99 0.00 3.11 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 26 C 8.57 4.22 0.00 3.15 3.13 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 27 N 8.19 4.41 0.00 2.92 2.91 0.00 0.00 7.16 7.74 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 28 Q 7.95 3.94 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 29 M 7.85 3.90 0.00 0.81 1.20 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.52 0.00 30 M 8.02 4.02 0.00 1.65 1.87 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 2.41 0.00 31 K 7.73 4.05 0.00 2.02 1.88 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.29 7.81 32 S 8.15 4.18 0.00 4.01 4.02 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 33 R 7.73 4.51 0.00 1.93 2.12 0.00 3.64 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 1.66 1.93 0.00 34 N 7.88 4.21 0.00 2.86 2.89 0.00 0.00 6.85 7.13 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 35 L 8.18 4.52 0.00 1.76 1.62 0.77 0.82 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 36 T 7.41 5.38 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 1.42 0.00 0.00 37 K 8.43 4.08 0.00 1.78 1.91 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.50 7.81 38 D 7.94 4.61 0.00 2.68 2.65 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 39 R 7.22 3.78 0.00 1.77 1.72 0.00 2.88 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 40 C 8.67 4.59 0.00 3.07 3.17 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 41 K 8.31 4.15 0.00 1.94 1.79 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.43 7.81 42 P 0.00 4.70 0.00 2.15 2.14 0.00 3.65 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 43 V 7.58 5.12 2.13 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 0.70 0.00 0.00 0.98 0.00 0.00 44 N 8.83 4.78 0.00 2.64 2.33 0.00 0.00 7.02 7.01 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 45 T 7.83 4.84 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 0.85 0.00 0.00 46 F 9.01 4.83 0.00 2.95 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 47 V 8.98 4.46 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 1.15 0.00 0.00 1.06 0.00 0.00 48 H 9.02 5.63 0.00 3.12 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.06 4.48 0.00 2.02 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 2.36 2.29 0.00 50 S 8.28 4.40 0.00 4.07 4.02 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 51 L 8.52 4.01 0.00 1.83 1.75 1.02 1.24 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 52 A 7.99 4.02 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 53 D 7.87 4.34 0.00 2.88 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 54 V 7.85 3.81 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 1.25 0.00 0.00 1.11 0.00 0.00 55 Q 8.63 3.95 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 56 A 7.96 4.07 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 57 V 7.62 3.56 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 1.10 0.00 0.00 1.01 0.00 0.00 58 C 7.68 3.79 0.00 2.81 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 59 S 7.48 4.62 0.00 3.96 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 60 Q 7.51 4.42 0.00 1.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 61 K 7.49 4.12 0.00 1.62 1.67 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.46 7.81 62 N 8.76 4.46 0.00 2.81 2.67 0.00 0.00 7.00 7.71 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 63 V 8.41 4.59 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 0.71 0.00 0.00 0.79 0.00 0.00 64 A 8.39 4.12 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 65 C 8.92 4.70 0.00 3.12 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 66 K 9.05 3.73 0.00 1.86 1.89 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.55 7.81 67 N 8.02 4.51 0.00 2.79 2.90 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.23 3.96 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 0.00 0.00 0.00 69 Q 8.60 4.22 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 70 T 8.28 4.39 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 1.18 0.00 0.00 71 N 7.84 4.99 0.00 3.12 3.18 0.00 0.00 6.07 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 72 C 7.42 5.34 0.00 3.04 2.87 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 73 Y 8.84 5.13 0.00 2.81 2.84 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 74 Q 9.04 5.08 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 75 S 8.68 4.40 0.00 3.93 3.85 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 76 Y 9.11 4.48 0.00 3.06 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 77 S 7.81 4.97 0.00 3.88 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 78 T 8.13 4.15 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 1.02 0.00 0.00 79 M 9.17 5.03 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 80 S 9.40 4.98 0.00 3.91 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 81 I 9.17 5.19 1.91 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 0.90 0.98 0.00 0.00 82 T 8.85 4.96 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 83 D 9.30 5.12 0.00 2.70 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 84 C 9.46 5.60 0.00 2.88 2.87 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 85 R 8.73 5.31 0.00 1.82 1.84 0.00 3.17 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 86 E 9.09 4.09 0.00 1.73 1.79 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 2.15 1.98 0.00 87 T 8.47 4.16 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 1.19 0.00 0.00 88 G 8.62 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 0.00 0.00 0.00 89 S 7.88 4.22 0.00 3.97 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 90 S 7.31 4.18 0.00 3.86 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 91 K 8.35 4.59 0.00 1.88 1.65 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.40 7.81 92 Y 8.74 4.30 0.00 2.88 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 93 P 0.00 3.23 0.00 1.81 1.30 0.00 3.67 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 94 N 7.57 4.57 0.00 2.91 2.77 0.00 0.00 6.89 8.61 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 95 C 8.17 4.52 0.00 3.17 2.95 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 96 A 8.81 5.09 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 97 Y 9.69 5.23 0.00 2.80 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 98 K 9.30 4.50 0.00 1.83 1.85 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 99 T 8.59 4.87 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 1.31 0.00 0.00 100 T 8.66 4.57 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 1.23 0.00 0.00 101 Q 8.81 4.81 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 102 A 8.80 4.59 1.23 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 0.00 0.00 103 N 8.70 5.36 0.00 2.57 2.75 0.00 0.00 6.68 7.61 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 0.00 104 K 8.70 4.76 0.00 1.74 1.92 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.22 4.86 0.00 3.18 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.56 4.86 1.82 0.00 0.00 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 1.28 0.86 1.13 0.00 0.00 107 I 8.32 4.86 1.66 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.65 0.78 0.00 0.00 108 V 8.61 4.74 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 0.75 0.00 0.00 0.82 0.00 0.00 109 A 8.84 5.05 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 0.00 110 C 8.76 5.17 0.00 1.80 1.84 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 0.00 111 E 8.60 4.65 0.00 1.84 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 2.27 2.23 0.00 112 G 9.54 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 0.00 113 N 8.22 5.06 0.00 2.63 2.70 0.00 0.00 6.90 7.69 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 0.00 114 P 0.00 4.28 0.00 2.22 2.05 0.00 3.83 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 1.99 1.96 0.00 115 Y 8.36 4.84 0.00 2.81 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 0.00 116 V 8.18 4.44 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 0.73 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.46 0.00 0.49 0.99 0.00 3.32 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 118 V 8.63 4.49 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 0.57 0.00 0.00 0.96 0.00 0.00 119 H 7.91 5.06 0.00 3.27 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.72 4.69 0.00 2.56 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 0.00 121 D 8.42 4.54 0.00 2.62 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 0.00 122 A 6.51 4.58 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 0.00 123 S 8.81 5.12 0.00 3.96 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 0.00 124 V 9.04 4.14 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 0.69 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.