NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2236 0.0000 0.0000 62.5855 32.4475 175.7267 3 R 3.9952 8.4523 123.7999 54.4375 29.1942 174.1823 4 A 4.3413 7.9918 130.0595 50.2283 18.2432 176.3840 5 K 4.2806 7.9660 120.7025 56.5401 33.9081 178.3440 6 T 3.8257 8.5926 116.1006 66.3640 67.8518 174.2152 7 G 3.9653 8.0587 109.1691 45.4821 0.0000 174.0306 8 V 4.4100 7.5718 114.2851 61.3842 36.5069 179.0304 9 V 3.3410 7.5208 119.7698 65.2611 32.1978 177.7238 10 R 3.7938 7.9313 118.2275 59.4085 30.0990 177.7600 11 R 3.9172 8.0736 118.0944 60.2813 29.8562 177.5690 12 R 3.8652 8.0316 116.9945 59.4321 29.8164 178.7049 13 K 3.8319 7.9496 118.5033 60.2186 32.4650 178.8229 14 H 4.5176 8.3584 116.2482 58.7023 28.6973 178.0032 15 K 4.0074 8.2855 120.4785 59.5936 32.0260 178.8323 16 K 3.9192 8.1043 120.2051 58.7232 32.2692 177.6926 17 I 4.2141 7.8907 119.7545 62.7899 38.0553 177.7050 18 L 3.9846 7.9165 118.3774 57.4059 41.5037 179.0231 19 K 4.0484 7.7406 119.9217 59.3114 31.8920 178.8885 20 L 3.9400 7.6266 117.7948 57.4745 41.9743 178.3541 21 A 3.1317 7.8761 118.2393 50.9739 18.4123 177.2581 22 K 3.8217 6.6355 118.0377 58.3385 32.5393 177.1010 23 G 4.0343 8.7995 111.5576 45.6310 0.0000 173.4034 24 Y 4.6891 7.3110 116.4074 57.4616 38.7001 175.4696 25 W 4.3418 9.0071 131.8829 58.4352 32.4573 176.0011 26 G 3.5203 7.9826 115.0899 45.9210 0.0000 175.6470 27 L 3.9745 8.7427 121.9869 57.8346 41.8283 179.2959 28 R 4.1015 8.3494 117.5731 58.4311 30.0955 177.8287 29 S 4.7942 8.4548 109.9204 57.7772 64.2228 174.6785 30 K 4.1786 7.8517 119.3565 57.4581 33.6230 176.6198 31 S 4.4498 8.5161 116.8955 57.6374 62.4576 175.1749 *32 F 3.9560 8.4990 131.3738 61.1212 38.2255 172.0573 33 R 4.6483 8.4394 114.4627 58.3460 32.4292 177.7941 34 K 3.8780 8.0661 117.7591 59.3730 32.1087 179.0649 35 A 4.6052 7.8808 122.2058 54.5800 18.4463 178.9623 36 R 3.4335 7.8581 116.3063 59.6593 29.7463 177.9328 37 E 3.8748 7.9089 117.8892 59.9490 29.4851 179.7561 38 T 3.8147 7.6901 114.8372 66.7834 68.5351 176.5129 39 L 4.0965 8.3088 121.1534 58.0886 41.6531 179.5587 40 F 4.5748 8.3739 117.6330 60.8484 38.8466 177.4949 41 A 3.6924 7.7498 118.3976 54.9475 18.1603 179.3702 42 A 3.9922 8.2754 119.7747 55.4590 18.3627 180.0928 43 G 3.7008 8.7112 104.4516 48.0920 0.0000 175.4826 44 N 4.5916 8.0815 118.2934 55.7871 38.5446 177.3419 45 Y 4.2937 8.2953 118.6056 61.0674 37.9387 177.7427 46 A 4.3391 8.1281 121.7047 55.6991 18.2209 178.5888 47 Y 4.4187 7.9312 117.1352 61.3577 38.7910 178.7198 48 A 3.7228 7.9701 120.8834 55.3813 18.5107 179.3452 49 H 4.3552 9.0542 115.6016 58.7403 28.2270 178.0150 50 R 3.9442 8.2686 120.7753 59.1007 29.7820 178.9073 51 K 3.8599 7.5129 116.8414 59.2910 32.3485 179.0408 52 R 4.0511 7.6535 118.7026 58.9943 30.1418 177.9043 53 R 4.6996 8.2254 120.3376 59.0753 29.4470 178.0868 54 K 3.8344 7.6731 117.2718 59.5929 32.1495 178.5240 55 R 4.3148 8.4350 116.3151 57.1195 30.5413 178.1156 56 D 4.3866 8.4791 119.7140 56.3064 40.7077 177.8405 57 F 3.6270 7.8449 117.3221 58.7109 39.4576 177.7803 58 R 4.0802 7.2646 117.0668 59.0880 29.8893 178.5281 59 R 4.0273 7.3214 116.3272 58.3710 30.4435 178.0224 60 L 3.7704 7.1976 119.7822 58.2590 42.0474 178.2881 61 W 4.6379 8.1146 118.7533 60.1641 28.9674 178.1807 62 I 3.7726 7.7638 119.1135 64.7629 36.7085 178.3862 63 V 3.5222 7.6472 118.2458 66.2313 31.3273 178.0588 64 R 3.9661 7.7439 117.7675 59.3880 29.8290 178.9641 65 I 3.7845 7.9957 119.3620 65.2695 37.1596 177.2339 66 N 4.6543 9.0348 117.8889 55.8830 38.4080 176.8938 67 A 3.7802 8.6227 124.3810 54.9051 19.0221 179.0847 68 A 4.2264 8.5082 119.7797 54.9973 19.0127 179.3747 69 C 4.2678 9.0623 112.9679 60.6954 29.9259 175.8906 70 R 4.8029 8.8936 124.1765 58.7332 29.4316 177.9083 71 Q 4.1253 7.6468 118.4649 58.6000 28.9526 176.3481 72 H 4.7832 7.3404 115.2891 55.6955 28.9192 174.5267 73 G 4.2030 8.1320 111.3404 45.2137 0.0000 174.5004 74 L 4.7835 7.7377 118.1381 53.3762 43.4216 175.2446 75 N 5.0847 8.2735 117.5060 52.0779 40.3783 174.4324 76 Y 4.2134 9.0322 119.6898 61.7417 38.6967 178.7794 77 S 4.1407 8.1220 114.4327 61.9782 63.0937 176.9685 78 T 3.8841 8.2974 117.3867 66.9441 68.5692 175.8992 79 F 4.4369 8.6624 122.4377 62.0539 39.2335 177.1264 80 I 3.2025 7.9005 119.0159 64.7810 37.0136 177.8161 81 H 4.2979 8.1255 118.3940 59.9317 29.4374 176.1824 82 G 3.7055 8.5361 107.1832 46.7498 0.0000 175.0023 83 L 3.8437 7.9367 118.7961 57.1547 42.0184 179.2333 84 K 3.7279 7.9987 118.4035 59.6923 32.0628 178.5525 85 K 4.0324 7.9131 116.6130 59.6270 32.2723 178.8883 86 A 4.1162 8.1345 120.3754 54.5172 18.2913 178.5694 87 G 4.0397 8.5339 104.4549 45.8533 0.0000 174.7303 88 I 4.1154 7.4764 122.7678 59.6846 35.6529 175.8124 89 E 4.3578 8.2542 121.1879 56.5210 30.2476 177.0112 90 V 4.1768 7.4143 122.1107 60.1555 29.3089 178.0560 91 D 3.9264 9.4437 111.6383 53.4854 42.2321 172.6636 92 R 3.5421 6.7231 119.1009 58.0539 28.0844 178.3355 93 K 4.6159 7.2439 119.8357 58.5507 33.1955 176.8104 94 N 2.0000 7.2013 115.8404 55.7018 38.3806 175.8376 95 L 4.7399 7.9073 115.1992 54.9644 41.9180 176.9043 96 A 4.5956 7.6958 120.7128 52.0208 18.9715 179.2644 97 D 4.5835 7.4405 117.1432 55.0796 39.6329 178.2037 98 L 3.5427 8.0654 119.2022 56.8356 41.6974 178.0017 99 A 3.6596 7.2771 119.8644 53.5331 18.1648 178.2168 100 V 3.8887 8.0609 116.5289 63.9178 32.1963 175.5669 101 R 4.3558 7.5378 117.7179 55.9063 32.0057 176.0900 102 E 3.7307 8.7828 120.1466 57.0210 26.0782 174.1867 103 P 4.3896 0.0000 0.0000 65.7988 31.6297 178.1880 104 Q 3.9858 8.0712 117.8205 58.9761 28.7617 178.2794 105 V 3.6176 7.9211 118.7272 66.0814 31.4532 177.5414 106 F 4.2119 8.1049 119.9121 61.5130 39.3890 176.6597 107 A 3.9722 8.5060 120.6943 55.4192 17.9385 179.5227 108 E 3.8114 8.1309 116.7098 59.7494 29.4475 179.4311 109 L 3.9990 7.6407 117.4889 58.3041 41.8054 179.2776 110 V 3.1576 7.6054 118.5509 65.0747 31.3464 177.4176 111 E 3.9419 8.1755 117.6773 60.0272 29.4565 180.0033 112 R 3.9460 8.1272 116.3866 58.9150 29.8299 178.6903 113 A 4.2798 8.5985 121.5941 54.6239 18.8463 179.1802 114 K 4.2049 7.8107 113.1049 58.0451 32.9876 178.2759 115 A 4.1570 8.0223 123.1593 55.1740 18.7021 179.3301 116 A 4.2343 7.4700 115.6237 53.2867 19.6077 178.0761 117 Q 4.4578 7.5250 116.8903 53.7234 28.3989 176.0522 118 G 3.7409 8.0367 109.5593 45.3835 0.0000 171.2789 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 P 0.00 4.22 0.00 2.19 2.13 0.00 3.72 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 1.88 1.96 0.00 3 R 8.45 4.00 0.00 1.87 1.91 0.00 3.23 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 4 A 7.99 4.34 1.26 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 0.00 0.00 0.00 5 K 7.97 4.28 0.00 1.87 1.85 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 6 T 8.59 3.83 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 7 G 8.06 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 8 V 7.57 4.41 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 0.72 0.00 0.00 0.93 0.00 0.00 9 V 7.52 3.34 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 1.01 0.00 0.00 0.95 0.00 0.00 10 R 7.93 3.79 0.00 1.91 1.90 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 11 R 8.07 3.92 0.00 1.92 2.07 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 12 R 8.03 3.87 0.00 2.08 1.91 0.00 3.38 0.00 0.00 3.16 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 13 K 7.95 3.83 0.00 1.74 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.64 1.63 7.81 14 H 8.36 4.52 0.00 3.46 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.29 4.01 0.00 1.96 2.07 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.79 1.46 7.81 16 K 8.10 3.92 0.00 1.83 2.04 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.48 7.81 17 I 7.89 4.21 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.87 0.00 0.00 18 L 7.92 3.98 0.00 1.58 1.70 0.88 0.90 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 19 K 7.74 4.05 0.00 1.87 1.76 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.44 7.81 20 L 7.63 3.94 0.00 1.76 1.68 0.92 0.76 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 21 A 7.88 3.13 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 22 K 6.64 3.82 0.00 1.68 1.69 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.49 7.81 23 G 8.80 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 0.00 0.00 0.00 24 Y 7.31 4.69 0.00 3.08 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 25 W 9.01 4.34 0.00 3.50 2.92 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 26 G 7.98 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.74 3.97 0.00 1.78 1.81 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.35 4.10 0.00 2.30 2.16 0.00 3.16 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 29 S 8.45 4.79 0.00 3.93 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 30 K 7.85 4.18 0.00 1.73 1.85 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.29 7.81 31 S 8.52 4.45 0.00 3.85 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 *32 F 8.50 3.96 0.00 2.41 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 0.00 0.00 0.00 0.00 33 R 8.44 4.65 0.00 1.73 1.87 0.00 3.13 0.00 0.00 3.18 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 34 K 8.07 3.88 0.00 1.91 1.92 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.50 7.81 35 A 7.88 4.61 1.35 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 0.00 0.00 0.00 36 R 7.86 3.43 0.00 1.69 1.75 0.00 3.11 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 37 E 7.91 3.87 0.00 2.17 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 2.38 2.35 0.00 38 T 7.69 3.81 4.41 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 0.65 0.00 0.00 39 L 8.31 4.10 0.00 1.68 1.77 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.37 4.57 0.00 3.22 2.92 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 41 A 7.75 3.69 1.02 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 0.00 0.00 42 A 8.28 3.99 1.40 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 43 G 8.71 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 44 N 8.08 4.59 0.00 2.93 2.90 0.00 0.00 6.98 7.43 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 45 Y 8.30 4.29 0.00 3.15 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 46 A 8.13 4.34 1.53 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 0.00 0.00 47 Y 7.93 4.42 0.00 2.93 3.24 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 48 A 7.97 3.72 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 49 H 9.05 4.36 0.00 3.17 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.27 3.94 0.00 2.06 1.98 0.00 3.24 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 51 K 7.51 3.86 0.00 1.70 1.80 0.00 1.41 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.22 7.81 52 R 7.65 4.05 0.00 1.90 2.03 0.00 3.12 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 53 R 8.23 4.70 0.00 2.02 2.13 0.00 3.22 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 54 K 7.67 3.83 0.00 2.02 1.89 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 55 R 8.43 4.31 0.00 1.87 1.92 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 56 D 8.48 4.39 0.00 2.79 2.46 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 57 F 7.84 3.63 0.00 1.88 1.45 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 58 R 7.26 4.08 0.00 2.01 2.08 0.00 3.13 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 59 R 7.32 4.03 0.00 2.01 1.74 0.00 3.15 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 60 L 7.20 3.77 0.00 1.43 1.11 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.11 4.64 0.00 3.65 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 62 I 7.76 3.77 2.03 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 1.24 0.75 0.42 0.00 0.00 63 V 7.65 3.52 2.16 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 1.02 0.00 0.00 0.89 0.00 0.00 64 R 7.74 3.97 0.00 2.07 1.98 0.00 3.28 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 65 I 8.00 3.78 2.41 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 1.37 0.00 0.00 66 N 9.03 4.65 0.00 3.03 2.89 0.00 0.00 7.17 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 67 A 8.62 3.78 1.38 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 0.00 0.00 0.00 68 A 8.51 4.23 1.25 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 0.00 0.00 69 C 9.06 4.27 0.00 2.62 3.84 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 70 R 8.89 4.80 0.00 1.99 2.06 0.00 3.18 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 71 Q 7.65 4.13 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 72 H 7.34 4.78 0.00 3.15 3.17 0.00 5.70 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 73 G 8.13 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 74 L 7.74 4.78 0.00 1.77 1.73 0.80 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.27 5.08 0.00 3.13 3.06 0.00 0.00 5.55 7.57 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 76 Y 9.03 4.21 0.00 3.32 3.05 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 77 S 8.12 4.14 0.00 4.19 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 78 T 8.30 3.88 4.52 0.00 0.00 0.00 0.00 0.00 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 79 F 8.66 4.44 0.00 3.03 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 80 I 7.90 3.20 1.59 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 -0.29 0.74 0.00 0.00 81 H 8.13 4.30 0.00 3.25 3.52 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.54 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.94 3.84 0.00 1.49 1.66 1.01 0.10 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 84 K 8.00 3.73 0.00 1.87 2.00 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 85 K 7.91 4.03 0.00 1.81 1.77 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.25 7.81 86 A 8.13 4.12 1.35 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 0.00 0.00 0.00 87 G 8.53 4.04 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 0.00 0.00 0.00 88 I 7.48 4.12 1.82 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 1.28 0.71 0.91 0.00 0.00 89 E 8.25 4.36 0.00 1.90 1.91 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 2.27 2.27 0.00 90 V 7.41 4.18 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 0.77 0.00 0.00 0.91 0.00 0.00 91 D 9.44 3.93 0.00 2.69 2.51 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 92 R 6.72 3.54 0.00 1.95 1.74 0.00 3.12 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 93 K 7.24 4.62 0.00 2.12 2.25 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.25 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.78 1.73 7.81 94 N 7.20 2.00 0.00 1.44 2.21 0.00 0.00 7.14 6.66 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 95 L 7.91 4.74 0.00 1.78 1.57 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.70 4.60 1.56 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 97 D 7.44 4.58 0.00 2.67 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 98 L 8.07 3.54 0.00 1.74 1.93 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.28 3.66 0.31 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 0.00 100 V 8.06 3.89 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 0.80 0.00 0.00 0.94 0.00 0.00 101 R 7.54 4.36 0.00 1.91 1.82 0.00 3.29 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 102 E 8.78 3.73 0.00 2.21 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 0.00 2.30 2.24 0.00 103 P 0.00 4.39 0.00 2.33 2.35 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 104 Q 8.07 3.99 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 105 V 7.92 3.62 2.29 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 1.08 0.00 0.00 0.97 0.00 0.00 106 F 8.10 4.21 0.00 3.28 3.27 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 0.00 107 A 8.51 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.81 0.00 2.23 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 2.32 2.50 0.00 109 L 7.64 4.00 0.00 1.76 1.84 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.61 3.16 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 0.71 0.00 0.00 0.24 0.00 0.00 111 E 8.18 3.94 0.00 2.13 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 2.48 2.48 0.00 112 R 8.13 3.95 0.00 1.75 2.02 0.00 3.30 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 113 A 8.60 4.28 1.55 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 0.00 114 K 7.81 4.20 0.00 1.90 1.91 0.00 1.46 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.45 7.81 115 A 8.02 4.16 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 0.00 116 A 7.47 4.23 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 0.00 117 Q 7.53 4.46 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 118 G 8.04 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 * Residues marked with a * may have inaccurate shift predictions.