NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2318 8.0932 114.8256 57.7766 64.6607 174.2429 2 L 3.9011 8.1972 120.9094 57.2376 41.2063 179.1425 3 F 4.1863 8.9025 122.0289 61.2663 39.2391 176.8772 4 E 3.9105 8.1853 117.8902 58.9912 29.3775 178.7234 5 L 4.0900 8.1891 120.6365 58.2813 42.2279 179.4302 6 G 3.5529 8.1577 105.6191 47.4599 0.0000 175.6004 7 K 3.7828 7.8054 121.9323 59.5558 32.1002 178.8818 8 M 4.0549 8.0719 118.9596 58.3613 31.7688 178.7916 9 I 3.5962 7.7640 120.0114 64.1453 37.1106 178.1988 10 L 4.1781 7.8242 122.4780 57.7024 41.6783 179.0725 11 Q 3.6642 7.6968 116.7518 58.9551 28.6489 178.3753 12 E 4.3125 8.2207 118.6685 59.0190 29.5572 178.5341 13 T 4.3475 8.1994 109.1733 62.7847 69.4663 176.5848 *15 G 4.1211 7.5888 107.3706 44.4972 0.0000 172.0564 16 K 4.3853 7.8682 119.6137 53.8629 34.1810 175.0927 17 N 4.4232 8.5788 120.2754 53.6153 39.5947 173.9103 18 P 4.4220 0.0000 0.0000 65.9265 31.6191 178.2774 19 A 4.0364 7.9445 120.1752 54.7156 18.1823 179.4088 20 K 3.9646 7.8964 116.5997 59.8905 32.5199 178.8443 21 S 4.3949 7.9783 115.8588 60.1209 62.8902 174.5447 22 Y 4.9454 8.0431 115.6918 57.1135 40.1747 177.4898 23 G 3.7365 8.3487 109.8215 47.8976 0.0000 174.9208 24 V 4.4922 7.4991 118.9094 62.4782 32.5491 173.6041 25 Y 4.6079 8.0303 120.1313 57.3934 39.8056 175.9794 26 G 3.7001 8.0977 116.3272 46.5563 0.0000 172.7770 27 C 4.7474 9.7215 117.6184 57.0657 41.1843 174.0623 28 N 4.8773 8.7007 115.6202 53.4818 40.7066 174.3363 29 C 4.5107 8.1845 116.1075 57.6048 41.6313 174.2715 30 G 3.8606 8.6790 111.3996 45.1091 0.0000 173.8950 31 V 3.6271 8.0636 117.7868 62.8048 32.2406 177.3362 32 G 3.8293 8.7180 109.6076 44.8583 0.0000 171.9529 33 G 4.1126 8.0696 108.3131 44.8619 0.0000 173.3599 34 R 4.5895 8.2845 119.5731 56.0715 31.9000 175.6006 35 G 4.1836 9.2412 107.4687 44.9097 0.0000 172.5424 36 K 4.1290 8.8194 122.2267 56.0573 32.3513 175.2058 37 P 4.5931 0.0000 0.0000 62.6176 31.9166 176.7200 38 K 3.9644 8.7129 121.5296 58.5925 32.6039 175.9680 39 D 4.4315 7.3762 115.9436 51.3524 41.9383 175.8465 40 A 3.9465 8.6631 120.0634 55.8485 18.0241 179.5195 41 T 3.7858 8.0392 113.6088 67.1422 68.5740 176.0529 42 D 4.4010 8.9117 120.0144 57.2693 41.2013 178.1860 43 R 3.8185 8.3504 119.7955 59.3601 29.9966 177.4966 44 C 4.0842 8.2504 116.4972 60.6590 39.6504 175.7972 45 C 4.1627 7.8272 117.6974 59.9216 40.5891 175.3720 46 Y 4.0340 8.1361 121.2144 60.9193 38.3679 178.5879 47 V 3.6884 8.1376 118.9729 66.1305 31.5018 177.2536 48 H 3.9332 8.3293 118.0121 59.4273 29.4987 177.3876 49 K 3.6054 7.8716 118.9227 59.4431 32.0281 178.4372 50 C 4.3203 8.1856 117.0406 59.9483 39.8694 174.9409 51 C 4.0730 8.3568 119.3458 60.3175 37.5963 175.3032 52 Y 4.1755 7.7638 117.4613 60.8147 37.2075 178.4974 53 K 3.9999 7.9550 118.9290 58.7027 31.9048 178.5949 *57 K 4.3298 7.7973 117.7144 55.7500 33.8530 175.2110 58 L 4.3339 7.4985 119.0356 54.1089 42.1006 176.0540 59 T 4.4830 8.3076 113.8673 60.8442 70.8060 174.0740 60 G 3.9051 9.2015 112.6396 46.2533 0.0000 171.8089 61 C 4.7249 7.4960 112.0453 53.2271 40.6203 172.4977 *67 D 4.8358 8.3071 118.4627 53.6232 41.2469 174.4417 68 P 4.2090 0.0000 0.0000 65.1242 31.6958 179.1020 69 K 4.1313 8.2146 117.4913 58.3462 32.3906 178.8650 70 K 4.1797 8.0757 116.1855 57.4643 33.2392 176.4653 71 D 4.6335 8.4695 119.6646 53.3758 41.2216 176.6021 72 R 4.3342 8.6531 123.1721 55.4620 30.8961 175.0427 73 Y 4.9570 7.1582 117.5330 55.7066 41.6355 174.0255 74 S 5.0904 8.6318 115.4996 57.5581 65.2989 173.0863 75 Y 5.3535 8.1883 119.6651 56.4180 41.0406 173.5350 76 S 4.7731 9.5595 115.3865 56.5303 67.6184 173.4227 77 W 5.3371 8.9376 131.9253 56.0419 31.8003 175.2946 78 K 4.3308 8.4832 127.5061 55.3416 34.3405 176.4869 79 D 4.3758 9.0860 124.4883 55.8497 39.6225 172.8148 80 K 2.0000 7.1597 110.0745 57.0470 30.0580 175.7191 81 T 4.4487 6.3910 112.6714 61.4922 72.7994 174.5741 82 I 4.6559 8.5109 126.7958 61.3686 38.1886 175.4792 83 V 4.4879 9.5191 126.6855 61.2515 34.3573 173.7758 84 C 4.8267 9.0039 125.5485 56.9739 40.7286 173.8834 85 G 3.7782 9.0365 111.9801 48.6353 0.0000 174.5585 86 E 4.4345 8.0232 127.1053 54.3555 31.1413 179.0547 87 N 3.6289 8.6800 118.8400 53.1862 40.3955 173.5010 88 N 4.2114 7.6042 125.5388 53.1171 38.5021 175.6791 89 S 4.3572 8.8079 123.3779 61.1696 63.5200 177.8508 90 C 4.1040 8.3184 120.1195 59.3613 41.5046 175.1904 *92 L 4.1048 7.7806 118.2860 54.6340 43.5626 178.9664 93 K 3.8749 8.2216 119.2677 59.6104 31.9995 178.8368 94 E 3.9753 7.9815 118.4653 58.9177 29.3569 179.0537 95 L 3.8342 7.9652 120.8063 58.3362 42.2151 178.0675 96 C 3.2884 7.8715 118.7009 59.6121 38.1118 175.5095 97 E 3.9104 8.1492 119.9540 59.2051 28.9618 178.5813 98 C 4.2760 8.3304 116.9921 60.3426 39.5066 175.9447 99 D 4.3187 8.2467 120.2845 57.2523 40.3871 178.8643 100 K 3.8621 8.5159 120.4267 59.2693 32.2025 178.7913 101 A 3.9774 7.8946 121.1710 55.0846 18.2164 180.0399 102 V 3.4781 7.7515 117.5410 64.7669 31.4890 178.5262 103 A 3.7953 7.9088 121.4625 54.8585 18.0931 179.7145 104 I 3.6524 7.8716 118.4220 64.4222 37.1395 177.7662 105 C 4.1801 8.1358 119.3027 59.7577 43.2840 175.5726 106 L 3.8024 7.7351 119.3248 57.7433 41.4244 179.1531 107 R 4.0427 7.8874 118.5164 59.6844 29.8195 178.5237 108 E 4.1052 8.2493 117.1170 58.4758 29.6551 178.0417 109 N 5.1357 7.6666 116.2990 52.3923 38.9970 176.7431 110 L 4.2064 7.8778 124.2036 57.6677 41.0759 178.9569 111 D 4.5212 8.3064 118.1716 55.4834 39.5200 177.3984 112 T 4.6393 7.8348 107.8451 60.9324 69.6258 173.4207 113 Y 4.0423 7.9935 124.5356 58.3736 39.3749 174.5050 114 N 5.0824 8.5934 125.1666 51.3206 40.9342 175.2039 115 K 4.3729 8.7484 125.9357 59.0198 32.4574 179.3301 116 K 3.8828 8.0949 117.8822 59.4778 32.5737 177.4129 117 Y 4.3603 7.4901 115.9911 58.0045 38.2631 177.3357 118 R 3.7634 7.4326 120.5584 59.0208 30.3937 176.7008 119 Y 4.5010 7.2839 114.9381 56.3973 37.3685 175.4476 120 N 4.6929 8.6816 123.5930 51.8417 37.8472 174.9846 121 Y 4.1604 7.9720 119.3163 60.3837 38.6701 177.4491 122 L 4.4905 7.9616 118.7615 55.0053 41.6293 178.7890 123 K 3.7317 7.9717 121.9756 59.2096 31.9898 177.3119 *125 P 4.2887 0.0000 0.0000 62.0749 33.0637 176.8404 126 A 4.5494 7.9516 120.0349 51.9219 18.9067 176.5665 127 C 4.4950 8.1269 115.9135 56.8521 39.2459 173.7422 128 K 4.1945 8.4579 124.6831 56.2041 33.0058 175.8373 129 K 4.3317 8.7313 127.5059 56.7578 32.7053 176.1556 130 A 4.4339 8.5198 128.1518 51.8475 19.1364 177.2144 131 D 4.6008 8.7996 120.3771 53.1551 41.8122 174.8519 132 P 4.4043 0.0000 0.0000 62.6340 31.9994 177.5875 133 C 4.4848 8.5737 117.0142 57.4734 41.0944 173.8331 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 1 S 8.09 5.23 0.00 4.24 4.22 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 2 L 8.20 3.90 0.00 1.80 1.86 0.99 0.91 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 3 F 8.90 4.19 0.00 3.15 3.03 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 4 E 8.19 3.91 0.00 2.10 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 1.57 2.41 0.00 5 L 8.19 4.09 0.00 2.06 1.90 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.16 3.55 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 0.00 0.00 0.00 7 K 7.81 3.78 0.00 1.39 1.81 0.00 1.31 0.00 0.00 1.47 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.26 7.81 8 M 8.07 4.05 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.85 0.00 9 I 7.76 3.60 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.91 0.00 0.00 10 L 7.82 4.18 0.00 1.78 1.75 0.90 0.24 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 11 Q 7.70 3.66 0.00 2.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 1.71 2.28 0.00 12 E 8.22 4.31 0.00 1.94 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 2.39 0.00 13 T 8.20 4.35 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 1.26 0.00 0.00 *15 G 7.59 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 0.00 0.00 0.00 0.00 16 K 7.87 4.39 0.00 1.75 1.51 0.00 1.43 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.20 7.81 17 N 8.58 4.42 0.00 2.76 2.70 0.00 0.00 6.86 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 18 P 0.00 4.42 0.00 2.36 2.34 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 19 A 7.94 4.04 1.39 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 20 K 7.90 3.96 0.00 1.83 1.95 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.60 7.81 21 S 7.98 4.39 0.00 3.52 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 22 Y 8.04 4.95 0.00 3.20 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 23 G 8.35 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 0.00 0.00 0.00 24 V 7.50 4.49 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 0.94 0.00 0.00 0.90 0.00 0.00 25 Y 8.03 4.61 0.00 3.11 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 26 G 8.10 3.70 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 0.00 0.00 0.00 27 C 9.72 4.75 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 28 N 8.70 4.88 0.00 3.00 2.92 0.00 0.00 6.98 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 29 C 8.18 4.51 0.00 3.34 3.37 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 30 G 8.68 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 31 V 8.06 3.63 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 0.72 0.00 0.00 0.99 0.00 0.00 32 G 8.72 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.07 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.28 4.59 0.00 1.55 1.78 0.00 2.32 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 35 G 9.24 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 36 K 8.82 4.13 0.00 1.75 1.73 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.56 7.81 37 P 0.00 4.59 0.00 1.94 1.85 0.00 3.53 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 38 K 8.71 3.96 0.00 1.14 0.94 0.00 1.08 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 0.84 7.81 39 D 7.38 4.43 0.00 2.89 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 40 A 8.66 3.95 1.39 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 41 T 8.04 3.79 4.45 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 0.81 0.00 0.00 42 D 8.91 4.40 0.00 2.94 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 43 R 8.35 3.82 0.00 1.92 2.02 0.00 3.05 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 44 C 8.25 4.08 0.00 3.17 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 45 C 7.83 4.16 0.00 3.10 3.22 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 46 Y 8.14 4.03 0.00 2.98 3.11 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 0.00 0.00 0.00 0.00 47 V 8.14 3.69 2.27 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 0.76 0.00 0.00 1.06 0.00 0.00 48 H 8.33 3.93 0.00 3.22 3.26 0.00 5.66 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 49 K 7.87 3.61 0.00 1.55 1.71 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.40 7.81 50 C 8.19 4.32 0.00 3.09 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 51 C 8.36 4.07 0.00 3.01 3.20 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 52 Y 7.76 4.18 0.00 3.11 2.83 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 0.00 0.00 0.00 53 K 7.96 4.00 0.00 1.96 1.85 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.64 7.81 *57 K 7.80 4.33 0.00 1.74 2.13 0.00 1.77 0.00 0.00 0.61 0.00 0.00 3.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.37 7.81 58 L 7.50 4.33 0.00 1.72 1.54 0.78 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.31 4.48 4.23 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 1.20 0.00 0.00 60 G 9.20 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 61 C 7.50 4.72 0.00 3.18 3.11 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 0.00 0.00 0.00 0.00 *67 D 8.31 4.84 0.00 2.70 2.97 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 68 P 0.00 4.21 0.00 1.49 0.49 0.00 3.51 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 1.74 1.65 0.00 69 K 8.21 4.13 0.00 1.80 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.59 7.81 70 K 8.08 4.18 0.00 1.84 1.85 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.47 7.81 71 D 8.47 4.63 0.00 2.77 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 72 R 8.65 4.33 0.00 1.78 1.90 0.00 3.35 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 73 Y 7.16 4.96 0.00 3.12 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 74 S 8.63 5.09 0.00 3.90 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 75 Y 8.19 5.35 0.00 3.23 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 76 S 9.56 4.77 0.00 3.84 3.82 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 77 W 8.94 5.34 0.00 3.34 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 78 K 8.48 4.33 0.00 1.73 1.59 0.00 1.89 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.37 7.81 79 D 9.09 4.38 0.00 2.65 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 80 K 7.16 2.00 0.00 1.63 1.58 0.00 1.86 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.30 7.81 81 T 6.39 4.45 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 1.14 0.00 0.00 82 I 8.51 4.66 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 0.85 0.00 0.00 83 V 9.52 4.49 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 1.12 0.00 0.00 0.98 0.00 0.00 84 C 9.00 4.83 0.00 3.09 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 85 G 9.04 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 86 E 8.02 4.43 0.00 2.09 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 2.32 2.40 0.00 87 N 8.68 3.63 0.00 2.84 2.79 0.00 0.00 6.68 6.92 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 88 N 7.60 4.21 0.00 2.70 2.72 0.00 0.00 7.42 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 89 S 8.81 4.36 0.00 3.92 3.90 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 90 C 8.32 4.10 0.00 2.90 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 *92 L 7.78 4.10 0.00 1.93 1.82 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.22 3.87 0.00 1.81 1.94 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.46 7.81 94 E 7.98 3.98 0.00 2.24 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 2.31 2.29 0.00 95 L 7.97 3.83 0.00 1.67 1.72 0.61 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.87 3.29 0.00 1.93 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 97 E 8.15 3.91 0.00 2.14 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 2.45 2.46 0.00 98 C 8.33 4.28 0.00 3.35 3.20 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 99 D 8.25 4.32 0.00 2.91 2.77 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 0.00 0.00 0.00 100 K 8.52 3.86 0.00 1.69 1.89 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 101 A 7.89 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.75 3.48 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 0.52 0.00 0.00 0.73 0.00 0.00 103 A 7.91 3.80 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 0.00 104 I 7.87 3.65 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.89 0.00 0.00 105 C 8.14 4.18 0.00 3.10 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 0.00 106 L 7.74 3.80 0.00 1.47 1.29 0.13 0.78 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 0.00 107 R 7.89 4.04 0.00 1.90 2.14 0.00 3.14 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 108 E 8.25 4.11 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 2.34 2.46 0.00 109 N 7.67 5.14 0.00 2.83 2.84 0.00 0.00 6.98 6.87 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 0.00 110 L 7.88 4.21 0.00 1.87 1.75 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.31 4.52 0.00 2.85 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 0.00 112 T 7.83 4.64 4.31 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 1.25 0.00 0.00 113 Y 7.99 4.04 0.00 3.09 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 0.00 114 N 8.59 5.08 0.00 2.57 2.05 0.00 0.00 6.87 6.27 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 0.00 115 K 8.75 4.37 0.00 1.86 1.88 0.00 1.77 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.76 1.54 7.81 116 K 8.09 3.88 0.00 1.65 1.84 0.00 1.27 0.00 0.00 1.09 0.00 0.00 2.47 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.40 1.08 7.81 117 Y 7.49 4.36 0.00 1.58 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 0.00 0.00 0.00 118 R 7.43 3.76 0.00 1.72 1.81 0.00 2.96 0.00 0.00 2.77 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 119 Y 7.28 4.50 0.00 3.03 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 0.00 120 N 8.68 4.69 0.00 2.82 2.88 0.00 0.00 7.22 7.18 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 0.00 121 Y 7.97 4.16 0.00 3.04 3.03 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 0.00 122 L 7.96 4.49 0.00 1.96 1.70 0.98 1.03 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 0.00 123 K 7.97 3.73 0.00 1.79 1.89 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.69 7.81 *125 P 0.00 4.29 0.00 2.09 2.17 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 126 A 7.95 4.55 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 0.00 127 C 8.13 4.50 0.00 3.11 3.03 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 0.00 128 K 8.46 4.19 0.00 1.80 1.68 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.39 7.81 129 K 8.73 4.33 0.00 1.82 1.72 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.47 7.81 130 A 8.52 4.43 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 0.00 131 D 8.80 4.60 0.00 2.82 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 0.00 132 P 0.00 4.40 0.00 2.05 1.98 0.00 3.71 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 2.04 2.11 0.00 133 C 8.57 4.48 0.00 2.92 2.97 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 * Residues marked with a * may have inaccurate shift predictions.