NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.8568 8.3431 109.7372 45.3639 0.0000 172.6918 -1 G 3.9478 7.9024 107.8149 42.7642 0.0000 168.8086 0 V 3.9617 8.3423 119.3839 61.8414 33.2581 173.1708 1 M 4.8332 8.4867 122.3529 55.0912 33.0415 175.3484 2 S 4.9730 9.0211 121.6284 56.6953 67.1970 172.8773 3 L 4.9725 8.9920 123.0192 53.7391 43.3570 175.5293 4 L 4.3219 9.0665 127.3754 53.9987 43.4263 174.6067 5 C 4.9756 8.7198 128.5424 57.9006 33.2885 172.2633 6 V 4.7173 8.9828 127.1045 61.0629 33.9018 174.2983 7 G 4.1962 8.9746 116.1619 44.6535 0.0000 172.9100 8 V 4.0488 8.9689 129.0813 61.8891 31.6565 176.2195 9 K 4.6206 9.0304 129.1235 56.8881 32.3682 177.8725 10 K 4.9497 7.3990 115.6849 56.5890 36.2789 172.8544 11 A 5.2432 8.4868 121.2154 50.1239 23.4916 175.1386 12 K 4.3935 8.9215 119.5444 54.9727 35.1149 175.0339 13 F 5.3264 8.6016 126.8949 55.9783 41.1198 176.2671 14 D 4.6051 9.2579 122.5243 53.0862 39.7572 175.7076 15 G 4.1928 7.8084 113.2942 45.0239 0.0000 169.5710 16 A 4.3452 7.8327 121.5750 51.4842 19.0517 178.1728 17 Q 4.1106 9.0930 122.5845 59.4350 28.9630 178.8930 18 E 4.2138 8.1843 112.0495 57.7137 29.8485 177.1147 19 K 4.1595 7.9514 118.3488 56.6494 32.8681 176.2525 20 F 4.9425 7.9681 118.0143 55.7465 42.7837 173.8133 21 N 5.4234 9.9811 122.3926 52.0615 40.3992 172.6689 22 T 5.5710 9.3456 114.9880 59.7259 72.5011 172.7388 23 Y 5.5357 8.6913 119.9332 55.5613 42.4567 173.7775 24 V 4.6394 8.4403 119.9690 61.4172 34.1941 174.1920 25 T 5.0244 9.0948 124.8294 61.8893 71.1964 173.2352 26 L 4.9925 8.7532 126.5124 52.9187 44.1229 175.5211 27 K 5.1314 8.7297 123.7491 54.4852 35.4461 175.6770 28 V 4.3435 8.6439 122.6318 61.0165 34.9257 173.4494 29 Q 3.4010 9.4263 122.8628 57.4482 27.2143 173.4882 30 N 4.2515 8.2816 110.7220 54.0886 38.2194 172.6606 31 V 4.6499 7.6901 109.7427 59.6784 35.2347 174.0305 32 K 5.7548 8.0679 117.9948 56.1487 35.2912 175.6081 33 S 4.9453 8.6846 116.5712 57.2976 67.3885 172.9817 34 T 5.1877 8.2814 117.5900 62.0150 72.2613 174.0708 35 T 4.6280 8.6163 116.5807 60.9928 70.2012 173.8979 36 I 4.2225 8.4284 115.2971 60.6734 38.7124 175.3085 37 A 5.0252 8.5915 124.6524 51.8079 19.7418 177.1464 38 V 4.4902 9.1698 120.9383 61.0110 35.1302 174.5489 39 R 4.6568 8.6947 128.2548 56.4947 30.8689 174.8190 40 G 4.1444 8.6795 111.6531 43.4786 0.0000 173.9951 41 S 4.3920 8.7611 114.7831 59.8619 63.8415 174.7038 42 Q 5.2241 7.5489 116.7859 52.7575 27.9552 174.1782 43 P 4.0774 0.0000 0.0000 62.8151 33.2038 176.7989 44 S 4.7612 8.0410 116.5683 56.7084 63.8552 172.8684 45 W 4.5500 9.0905 126.2604 57.1221 30.4701 176.7342 46 E 3.8549 8.0210 116.7269 57.8018 27.0938 174.6141 47 Q 4.5597 8.4473 118.8964 54.3809 32.5672 174.5920 48 D 5.4220 8.4328 125.4296 52.9831 42.9810 175.7546 49 F 4.8077 9.1313 119.9207 55.8815 43.1391 173.7959 50 M 5.1102 8.2962 120.6438 53.5180 34.8696 175.0802 51 F 4.9246 8.9249 120.7761 55.6775 43.1423 174.1449 52 E 4.7099 9.0309 122.5352 55.7068 30.2080 175.5740 53 I 4.8416 9.0172 127.1077 59.3655 39.6326 175.9498 54 N 5.5266 9.7278 122.5625 51.0863 38.9874 173.9581 55 R 4.6611 7.9086 113.8582 55.6526 32.0693 174.5160 56 L 4.5250 8.4180 119.3723 54.5264 42.0793 176.2241 57 D 4.6965 7.8120 118.8020 52.9672 41.4219 177.5145 58 L 3.8571 8.7312 117.7561 55.4255 39.6459 172.9141 59 G 3.8697 8.5187 108.2878 46.1216 0.0000 171.6949 60 L 4.5908 8.2998 122.4406 53.8144 43.4972 175.2598 61 T 4.8444 8.7397 124.2363 62.4645 70.4716 173.9278 62 V 4.6428 8.9220 126.9929 61.1990 33.9566 173.8993 63 E 4.9348 9.2629 128.1036 54.4458 32.6087 175.1188 64 V 4.6507 8.5502 124.5448 60.9685 33.9065 174.1901 65 W 4.9344 8.5964 128.0249 54.7079 32.2775 174.4891 66 N 5.1245 9.2233 123.7782 52.4053 39.5082 173.9862 67 K 4.8127 9.2172 129.7649 56.4160 32.8868 176.2638 68 G 4.4570 9.1514 115.1275 42.0648 0.0000 172.7247 69 L 4.0272 8.3767 120.6345 57.5607 42.1813 177.6687 70 I 4.4054 7.2946 116.5533 61.5270 39.4246 175.4789 71 W 5.3153 7.1613 114.9964 55.0989 30.9162 172.9402 72 D 5.4817 8.6745 118.8614 53.2322 43.1215 175.8589 73 T 4.9339 8.8180 117.3695 61.6540 71.8602 173.1500 74 M 3.1750 8.8732 126.3471 56.3297 32.0388 175.9504 75 V 3.6675 8.5721 127.4776 64.4434 32.3943 175.8903 76 G 3.9965 7.2095 105.2903 46.7508 0.0000 171.0927 77 T 5.3635 7.9415 113.1224 60.5752 71.2114 172.8629 78 V 4.9084 8.9254 126.0084 59.6764 35.3242 173.8159 79 W 5.1773 8.9390 131.8735 55.7061 33.3278 174.4394 80 I 4.2731 7.7688 127.9716 58.2971 39.0926 173.5104 81 P 3.7766 0.0000 0.0000 62.2033 32.0008 177.5929 82 L 3.8520 8.5731 122.2278 57.8557 41.7729 179.6290 83 R 3.9371 8.0010 117.7341 58.6594 30.1461 176.7899 84 T 4.4936 7.1597 105.4856 61.0123 69.1331 174.6975 85 I 3.8272 7.6341 124.1797 61.2950 37.7074 176.1028 86 R 4.0616 8.5780 121.4992 56.7722 30.6458 175.7920 87 Q 4.9740 8.6147 121.5338 55.3934 28.9408 174.6035 88 S 4.7429 8.7596 117.1956 57.3039 65.7182 174.3472 89 N 5.3285 8.8900 121.0914 52.3905 37.8123 174.2530 90 E 4.2750 8.0090 121.5406 54.5682 30.3108 175.3821 91 E 3.8353 8.7819 127.6652 56.3377 30.1991 175.9412 92 G 4.1513 8.7466 114.7552 42.8927 0.0000 171.5128 93 P 4.2434 0.0000 0.0000 63.4108 31.8251 177.5415 94 G 3.9085 8.2029 103.7239 45.3678 0.0000 172.0531 95 E 4.7517 8.3708 117.8750 53.8434 32.9664 175.6895 96 W 4.6745 8.7488 122.9592 56.5535 30.0314 175.5658 97 L 4.8715 9.0756 125.4386 52.9824 44.1935 176.0598 98 T 4.6087 8.6381 121.0594 63.3947 69.0672 174.5238 99 L 4.3389 8.9712 127.4603 54.7520 43.0483 176.3739 100 D 4.5443 9.1392 123.5868 54.8461 42.0009 176.0133 101 S 4.1533 9.1615 120.9400 59.5696 62.3997 175.3101 *112 G 4.0463 9.0639 104.7749 45.7020 0.0000 173.8015 113 T 4.5208 8.8453 111.3342 60.7713 69.2408 174.3840 114 K 4.1852 7.8109 121.2129 56.3134 32.7425 176.5532 115 D 4.4878 8.4618 122.7316 53.3465 41.3763 174.8902 116 P 4.2009 0.0000 0.0000 63.1194 31.8435 175.5074 117 T 4.4114 7.7355 116.2955 61.6846 70.4794 173.9004 118 F 4.8352 8.5118 124.0639 55.9654 42.1924 173.8440 119 H 5.4685 8.7666 121.9831 54.3525 31.8173 173.7087 120 R 5.3708 9.0820 119.0665 54.6497 34.8478 173.9756 121 I 4.9178 8.9417 121.6315 59.1809 41.7750 173.9075 122 L 4.1992 8.4846 131.3573 53.3524 43.1912 174.8960 123 L 5.0741 8.3653 128.3366 53.4569 45.7291 174.3316 124 D 5.2284 9.0342 125.5809 52.8914 43.7466 174.7901 125 A 5.2256 8.2721 124.6701 51.1524 22.3735 175.2213 126 H 4.9592 8.8453 116.0340 54.5065 32.5718 172.7667 127 F 5.1947 9.2551 121.3368 56.9473 40.8654 175.7073 128 E 4.3854 9.3821 120.6068 56.8409 29.6687 174.8773 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 G 8.34 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 0.00 0.00 0.00 -1 G 7.90 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 0 V 8.34 3.96 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 0.72 0.00 0.00 0.92 0.00 0.00 1 M 8.49 4.83 0.00 2.07 2.03 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 2.73 2.56 0.00 2 S 9.02 4.97 0.00 3.77 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 3 L 8.99 4.97 0.00 1.72 1.62 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.07 4.32 0.00 1.45 1.62 0.15 0.55 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 5 C 8.72 4.98 0.00 2.99 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 6 V 8.98 4.72 2.31 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 1.05 0.00 0.00 1.03 0.00 0.00 7 G 8.97 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 8 V 8.97 4.05 2.37 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 0.80 0.00 0.00 1.01 0.00 0.00 9 K 9.03 4.62 0.00 1.73 1.68 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.59 7.81 10 K 7.40 4.95 0.00 1.84 1.82 0.00 1.48 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.24 1.44 7.81 11 A 8.49 5.24 1.12 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 0.00 0.00 12 K 8.92 4.39 0.00 1.74 1.53 0.00 1.25 0.00 0.00 1.36 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.27 7.81 13 F 8.60 5.33 0.00 2.23 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 0.00 0.00 0.00 14 D 9.26 4.61 0.00 2.83 2.66 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 15 G 7.81 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 0.00 0.00 0.00 0.00 16 A 7.83 4.35 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 17 Q 9.09 4.11 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 18 E 8.18 4.21 0.00 2.12 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 2.27 2.27 0.00 19 K 7.95 4.16 0.00 1.56 1.34 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.46 7.81 20 F 7.97 4.94 0.00 3.16 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 21 N 9.98 5.42 0.00 2.80 2.71 0.00 0.00 6.38 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 22 T 9.35 5.57 4.61 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 1.36 0.00 0.00 23 Y 8.69 5.54 0.00 3.23 3.28 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 0.00 24 V 8.44 4.64 1.51 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 0.81 0.00 0.00 -0.27 0.00 0.00 25 T 9.09 5.02 4.51 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 1.28 0.00 0.00 26 L 8.75 4.99 0.00 1.44 1.35 0.69 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.73 5.13 0.00 1.64 1.65 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.36 7.81 28 V 8.64 4.34 1.65 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 -0.25 0.00 0.00 0.83 0.00 0.00 29 Q 9.43 3.40 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.38 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 30 N 8.28 4.25 0.00 2.89 2.91 0.00 0.00 7.06 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 31 V 7.69 4.65 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 0.77 0.00 0.00 1.16 0.00 0.00 32 K 8.07 5.75 0.00 1.84 1.72 0.00 1.14 0.00 0.00 2.38 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.33 7.81 33 S 8.68 4.95 0.00 3.63 3.76 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 34 T 8.28 5.19 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 35 T 8.62 4.63 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 1.16 0.00 0.00 36 I 8.43 4.22 1.99 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 1.54 0.87 0.99 0.00 0.00 37 A 8.59 5.03 1.47 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 0.00 0.00 0.00 38 V 9.17 4.49 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.91 0.00 0.00 39 R 8.69 4.66 0.00 1.90 1.84 0.00 3.38 0.00 0.00 3.59 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 40 G 8.68 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 0.00 0.00 0.00 0.00 41 S 8.76 4.39 0.00 3.81 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 42 Q 7.55 5.22 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.95 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 43 P 0.00 4.08 0.00 0.89 1.92 0.00 3.27 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.04 0.00 44 S 8.04 4.76 0.00 3.73 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.09 4.55 0.00 3.56 3.16 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 46 E 8.02 3.85 0.00 2.08 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 2.29 2.38 0.00 47 Q 8.45 4.56 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.78 0.00 0.00 0.00 0.00 0.00 1.22 1.92 0.00 48 D 8.43 5.42 0.00 2.45 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.13 4.81 0.00 2.87 2.40 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 50 M 8.30 5.11 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 51 F 8.92 4.92 0.00 2.95 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 52 E 9.03 4.71 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 2.31 2.37 0.00 53 I 9.02 4.84 2.29 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 1.67 1.26 1.07 0.00 0.00 54 N 9.73 5.53 0.00 2.94 2.99 0.00 0.00 6.37 7.28 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 55 R 7.91 4.66 0.00 1.90 1.89 0.00 3.02 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 56 L 8.42 4.52 0.00 1.58 1.66 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.81 4.70 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 58 L 8.73 3.86 0.00 2.02 1.92 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.52 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 0.00 0.00 0.00 60 L 8.30 4.59 0.00 1.48 1.26 0.66 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.74 4.84 4.30 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 1.31 0.00 0.00 62 V 8.92 4.64 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 0.99 0.00 0.00 0.85 0.00 0.00 63 E 9.26 4.93 0.00 2.11 1.62 0.00 0.00 0.00 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 2.28 0.00 64 V 8.55 4.65 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 1.32 0.00 0.00 0.98 0.00 0.00 65 W 8.60 4.93 0.00 1.78 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 66 N 9.22 5.12 0.00 2.78 2.72 0.00 0.00 6.68 6.50 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 67 K 9.22 4.81 0.00 2.15 1.96 0.00 1.90 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.55 7.81 68 G 9.15 4.46 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 0.00 0.00 0.00 69 L 8.38 4.03 0.00 1.50 1.55 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.29 4.41 1.74 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 1.47 0.65 1.19 0.00 0.00 71 W 7.16 5.32 0.00 3.47 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 72 D 8.67 5.48 0.00 2.55 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 73 T 8.82 4.93 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 1.30 0.00 0.00 74 M 8.87 3.17 0.00 1.74 1.36 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 75 V 8.57 3.67 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 0.54 0.00 0.00 0.81 0.00 0.00 76 G 7.21 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 0.00 0.00 0.00 77 T 7.94 5.36 4.12 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 1.23 0.00 0.00 78 V 8.93 4.91 2.14 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 0.85 0.00 0.00 0.99 0.00 0.00 79 W 8.94 5.18 0.00 3.25 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 80 I 7.77 4.27 1.57 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 1.18 0.40 0.73 0.00 0.00 81 P 0.00 3.78 0.00 2.10 2.05 0.00 3.45 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 82 L 8.57 3.85 0.00 1.92 1.95 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.00 3.94 0.00 1.92 1.97 0.00 3.22 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 84 T 7.16 4.49 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 1.22 0.00 0.00 85 I 7.63 3.83 2.14 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.70 0.00 0.00 86 R 8.58 4.06 0.00 1.92 2.09 0.00 2.95 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 87 Q 8.61 4.97 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 88 S 8.76 4.74 0.00 3.87 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 89 N 8.89 5.33 0.00 2.87 2.94 0.00 0.00 6.30 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 90 E 8.01 4.28 0.00 1.91 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 2.22 2.20 0.00 91 E 8.78 3.84 0.00 1.95 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 2.31 0.00 92 G 8.75 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 0.00 0.00 0.00 93 P 0.00 4.24 0.00 2.17 2.17 0.00 3.72 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 1.96 1.95 0.00 94 G 8.20 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 95 E 8.37 4.75 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 96 W 8.75 4.67 0.00 3.21 3.19 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 97 L 9.08 4.87 0.00 1.58 1.59 0.90 0.49 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 98 T 8.64 4.61 4.30 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 1.34 0.00 0.00 99 L 8.97 4.34 0.00 1.64 1.74 1.10 1.01 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 0.00 100 D 9.14 4.54 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.16 4.15 0.00 3.82 3.47 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 0.00 *112 G 9.06 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 T 8.85 4.52 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 1.21 0.00 0.00 114 K 7.81 4.19 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 115 D 8.46 4.49 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 0.00 116 P 0.00 4.20 0.00 1.76 1.95 0.00 3.74 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 2.11 2.11 0.00 117 T 7.74 4.41 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 1.14 0.00 0.00 118 F 8.51 4.84 0.00 2.98 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 0.00 119 H 8.77 5.47 0.00 3.24 3.54 0.00 5.56 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 R 9.08 5.37 0.00 1.98 2.11 0.00 2.85 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 121 I 8.94 4.92 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 2.03 0.94 0.00 0.00 122 L 8.48 4.20 0.00 0.27 0.91 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.37 5.07 0.00 1.69 1.34 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.03 5.23 0.00 2.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 5.23 1.07 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 0.00 0.00 126 H 8.85 4.96 0.00 3.37 3.33 0.00 5.45 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 9.26 5.19 0.00 3.00 2.94 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 0.00 128 E 9.38 4.39 0.00 2.03 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 2.36 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.