NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4888 8.3049 120.6161 54.5546 31.8190 174.5372 2 K 4.0999 7.8665 121.3191 56.4425 33.9268 171.2722 3 V 4.4351 9.5683 123.1540 61.7387 36.3167 172.7726 4 I 4.7190 8.2119 127.3225 59.3997 38.6222 176.0639 5 L 4.7201 8.2359 129.8547 54.4018 43.6163 174.5707 6 L 4.3638 8.6506 129.0199 55.6872 49.8100 177.7915 7 E 3.9460 9.6859 126.0541 56.9896 29.5211 174.8555 8 P 4.4237 0.0000 0.0000 62.9148 30.8842 175.7659 9 L 4.3836 8.1373 124.3131 53.4679 42.8028 176.6620 10 E 4.1155 8.4211 122.5678 57.5915 30.0980 176.9335 11 N 4.4921 9.2756 121.4389 53.2015 38.7008 173.9236 12 L 4.6196 7.4018 113.4063 55.9571 43.9751 172.8980 13 G 3.6228 8.7008 116.8775 43.5267 0.0000 172.8785 14 D 4.2381 8.6506 118.6134 54.1915 37.6060 172.4336 15 V 3.6332 7.9398 121.6311 60.8751 33.0197 176.4952 16 G 4.2184 8.8220 111.2554 45.7425 0.0000 174.1891 17 Q 4.0985 7.8159 120.4486 56.4067 30.1356 175.7112 18 V 4.9470 8.2740 124.8193 61.5427 33.6256 175.0730 19 V 4.4791 8.7042 125.0730 60.4576 35.3294 173.6704 20 D 5.0309 8.7267 122.6786 53.4981 40.6960 175.9437 21 V 4.3521 7.9602 119.0230 59.8090 34.6339 174.7704 22 K 4.5747 8.4929 119.7979 54.9527 33.8349 176.0387 23 P 4.3276 0.0000 0.0000 65.6936 31.2513 178.7255 24 G 3.7084 8.1904 103.9209 48.0192 0.0000 174.6283 25 Y 4.5142 8.1594 122.2093 61.0504 38.8342 177.5572 26 A 3.9387 8.2742 121.0554 55.0336 18.1669 179.2372 27 R 3.8872 8.2873 116.2884 59.1977 30.5005 178.3151 28 N 4.7195 8.3231 112.3568 54.2647 39.6242 174.6069 29 Y 4.5567 7.9435 116.6441 59.1226 40.4650 176.4704 30 L 3.7276 7.7706 119.4949 58.2332 42.4997 179.6983 31 L 3.9437 8.4483 117.9527 57.4837 42.1972 177.9982 32 P 4.1532 0.0000 0.0000 65.7041 31.1399 177.4452 33 R 4.0242 7.5058 112.8485 55.5488 30.8446 175.9966 34 G 3.6566 7.5550 106.0119 46.4629 0.0000 173.7690 35 L 4.5868 7.6463 114.9406 54.6340 43.7398 177.5032 36 A 4.5849 7.0891 118.6383 51.6528 22.2201 175.1759 37 V 4.4674 8.0816 117.4289 60.6181 35.3073 174.7435 38 L 4.2774 8.5883 126.9704 54.7920 42.6838 177.8746 39 A 4.5245 8.0276 128.5297 51.7095 17.4572 178.1648 40 T 3.9055 8.0033 109.8810 63.3231 69.3850 174.6052 41 E 4.3189 8.7254 121.4785 57.6257 28.0860 178.2035 42 S 4.5254 7.8989 114.0061 58.9715 63.0771 174.3072 43 N 4.5355 8.0989 116.8614 52.8990 38.5799 175.6894 44 L 4.1345 7.8444 121.8635 56.6674 42.2866 177.8047 45 K 4.4719 7.8482 117.5746 58.6427 33.8103 178.2074 46 A 3.9974 7.4297 120.0301 54.2114 18.2066 178.6967 47 L 4.2043 7.8278 118.2744 56.6548 42.2179 178.1818 48 E 3.8950 7.3198 118.6444 59.1818 29.8097 178.4240 49 A 4.0841 8.1732 120.6257 55.4397 17.6697 179.5880 50 R 3.8741 7.7797 115.9067 59.8447 29.9367 179.0414 51 I 4.0435 8.0359 119.2910 63.3095 37.1321 178.4041 52 R 4.0089 8.2904 117.3228 58.9396 29.5447 178.3002 53 A 3.9182 8.0428 121.4228 54.8861 18.2219 179.1069 54 Q 4.0165 7.5904 113.8890 58.7972 29.1777 177.4367 55 A 3.9463 7.3976 120.4135 55.3741 18.6121 179.3489 56 K 3.9876 8.3039 117.3994 59.6503 32.3183 179.0666 57 R 3.5200 7.2764 118.0048 59.1590 29.6784 177.7178 58 L 4.2534 7.9272 119.3597 56.8683 42.6757 176.0458 59 A 4.4646 8.4300 122.9047 50.7269 16.4393 175.1854 60 E 4.8449 7.6345 129.1541 57.4019 33.1969 178.0599 61 R 4.2703 7.8574 115.6338 56.0595 29.9200 177.0478 62 K 4.4302 7.5292 115.0833 56.7990 34.2961 175.0291 63 A 4.5621 7.5912 119.5186 52.4301 22.5568 178.5929 64 E 4.1314 8.2894 115.4106 58.4218 29.5299 178.3680 65 A 4.0094 8.2050 120.7570 55.6895 18.2095 179.0004 66 E 3.9160 7.8734 115.6231 59.9592 29.2101 179.9188 67 R 3.9892 8.6661 118.1794 58.7797 29.8997 178.2883 68 L 3.9503 8.0124 118.9160 56.2449 42.5508 177.7108 69 K 4.3665 7.6574 117.5511 58.9139 33.6023 178.0630 70 E 4.0141 8.1033 119.1336 59.0463 29.4821 178.9496 71 I 3.8366 7.0100 111.3897 62.7265 37.9769 176.2659 72 L 4.5858 7.7978 122.6012 52.1459 39.3313 179.6429 73 E 3.5122 8.6851 128.1495 58.9104 30.5461 174.0143 74 N 4.7256 8.0058 113.6912 53.1792 37.7967 174.9806 75 L 4.5233 7.2232 121.0261 54.4760 43.7297 175.6560 76 T 4.8225 7.8940 116.2633 61.8870 72.1390 172.6585 77 L 3.7865 8.3587 127.9145 52.7105 41.4216 173.3472 78 T 4.1577 8.4153 129.3137 63.8185 68.1043 171.4970 79 I 4.7438 7.7966 126.3046 58.2213 41.4740 173.0621 80 P 5.0591 0.0000 0.0000 62.7691 31.5556 175.9066 81 V 4.4276 7.7570 124.8325 59.3521 34.4008 175.4604 82 R 4.0638 8.7071 124.5426 56.3988 30.5333 173.9108 83 A 5.4457 8.0965 133.5624 52.2914 21.1734 176.1096 84 G 4.4179 8.2230 97.3212 44.7831 0.0000 173.5973 85 E 4.2591 9.1940 123.5542 55.4194 26.2732 175.1180 86 T 4.4268 8.9285 107.8214 62.7974 68.7508 174.4451 87 K 4.2849 7.5446 124.0643 55.2561 33.6288 175.3823 88 I 4.2573 7.8618 127.7263 61.8477 37.6130 175.6468 89 Y 4.4581 8.7409 119.7171 56.4946 38.4265 175.8759 90 G 4.1865 6.9537 106.2241 46.5970 0.0000 171.5187 91 S 5.2314 8.2280 114.0466 56.5201 66.8708 173.7053 92 V 4.9745 8.0517 118.3803 59.0883 33.1296 175.7044 93 T 4.2025 8.4950 119.8420 60.7869 68.6119 174.7980 94 A 4.0935 8.6864 126.5074 55.5504 18.0519 180.2538 95 K 3.9997 8.0226 116.2423 59.5127 32.2506 178.9351 96 D 4.3423 7.8825 118.0830 57.8054 41.3163 177.0680 97 I 3.7637 8.5842 120.9058 63.2156 36.7165 177.5186 98 A 3.9606 8.1282 123.0252 55.6099 18.4314 179.7239 99 E 3.6867 7.3933 117.5621 59.0709 30.0759 178.5549 100 A 4.4681 7.8564 118.9401 52.8589 19.3050 178.6138 101 L 3.8878 7.7628 118.6672 57.4774 42.1052 177.0389 102 S 4.5496 7.9745 114.9189 58.1934 64.0233 174.2422 103 R 4.5862 7.5394 120.0762 57.1754 37.1106 176.3917 104 Q 4.1829 8.1854 118.6892 58.0698 29.2909 175.0881 105 H 4.7396 8.4185 111.4448 57.9262 31.0028 173.7688 106 G 3.5894 7.1163 105.9796 45.4066 0.0000 173.4349 107 V 4.1353 7.7014 119.6560 61.2871 32.8027 175.0114 108 T 4.5621 8.2732 123.0273 61.9619 69.9501 174.1361 109 I 4.5364 8.0155 125.8766 59.3996 41.1469 174.2746 110 D 4.8234 10.0419 124.5055 51.9400 41.7662 175.0047 111 P 4.3073 0.0000 0.0000 66.1347 31.0152 178.5879 112 K 3.7612 7.5646 117.3159 57.8510 32.0724 177.7511 113 R 4.4619 7.8877 116.5059 55.7067 31.2830 177.8699 114 L 4.7638 8.2206 125.7747 54.4637 40.5554 178.4979 115 A 4.5495 8.3440 124.7396 53.5391 23.3232 176.0966 116 L 4.4221 7.7456 117.5574 54.1582 44.0836 175.4710 117 E 3.9401 8.8036 123.7663 57.7243 28.3522 178.3548 118 K 4.0037 8.8247 120.5099 56.2691 33.5413 175.2724 119 P 4.2564 0.0000 0.0000 63.6719 30.7545 179.6817 120 I 3.0039 7.9504 120.4276 59.0558 38.9062 175.7369 121 K 4.8391 8.3314 125.6474 57.5195 33.1763 176.4742 122 E 4.8998 7.8342 119.3512 55.9911 30.6568 173.3534 123 L 4.4540 8.8310 126.3923 53.6696 49.4406 177.3024 124 G 3.8731 9.8656 106.1857 44.8221 0.0000 173.3292 125 E 4.9657 7.8062 112.7650 55.5820 34.2194 174.8827 126 Y 4.9405 7.6725 118.1652 55.9879 41.9830 175.2209 127 V 4.7797 8.0370 120.6910 63.2061 34.1094 170.1938 128 L 4.6460 8.5124 128.8358 53.6384 45.2824 174.9005 129 T 3.8481 8.5859 121.6618 65.6663 69.2571 172.2947 130 Y 4.2257 9.8596 124.9755 56.8400 37.8655 176.1991 131 K 4.9767 8.0846 113.0641 54.5367 34.1773 171.9950 132 P 4.8167 0.0000 0.0000 61.7464 34.7342 176.3299 133 H 3.7698 8.5261 113.6187 55.7837 29.1806 174.5024 134 P 4.4393 0.0000 0.0000 62.8430 29.6839 176.0814 135 E 4.3101 8.0459 122.3898 55.7393 31.7913 175.8796 136 V 4.5159 8.0272 120.2295 60.5246 33.8838 172.1129 137 P 4.7757 0.0000 0.0000 62.6276 31.8589 176.2537 138 I 4.2565 8.4239 125.0914 59.9699 40.7040 173.6575 139 Q 4.8010 8.4626 124.5898 54.1443 30.2694 173.3920 140 L 5.1382 8.6032 127.8495 53.1386 45.9487 174.7370 141 K 5.7443 8.5170 124.3227 53.8350 34.8034 175.3595 142 V 4.0391 8.8912 126.5907 62.7109 32.0354 176.4596 143 S 4.5341 8.2098 124.9154 57.6243 64.8981 171.4814 144 V 4.6661 7.7951 118.5060 63.7280 34.4680 174.5878 145 V 2.7430 8.0660 115.8888 63.9666 32.4574 174.1483 *146 A 4.1219 8.3820 122.0571 52.7874 18.7144 176.7193 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 M 8.30 4.49 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 K 7.87 4.10 0.00 1.80 1.75 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.45 7.81 3 V 9.57 4.44 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 1.02 0.00 0.00 0.96 0.00 0.00 4 I 8.21 4.72 1.85 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 1.22 0.84 0.92 0.00 0.00 5 L 8.24 4.72 0.00 1.56 1.51 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.65 4.36 0.00 1.64 0.62 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.69 3.95 0.00 1.92 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 2.33 2.40 0.00 8 P 0.00 4.42 0.00 2.18 2.14 0.00 3.76 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 1.99 1.99 0.00 9 L 8.14 4.38 0.00 2.05 1.66 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.42 4.12 0.00 1.94 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 2.31 2.26 0.00 11 N 9.28 4.49 0.00 2.92 3.02 0.00 0.00 6.92 7.78 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 12 L 7.40 4.62 0.00 1.78 1.65 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.70 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 0.00 0.00 0.00 14 D 8.65 4.24 0.00 3.07 2.69 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 15 V 7.94 3.63 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 0.65 0.00 0.00 0.98 0.00 0.00 16 G 8.82 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 0.00 0.00 0.00 17 Q 7.82 4.10 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 18 V 8.27 4.95 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 0.88 0.00 0.00 0.98 0.00 0.00 19 V 8.70 4.48 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 0.71 0.00 0.00 0.95 0.00 0.00 20 D 8.73 5.03 0.00 2.70 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 21 V 7.96 4.35 2.23 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 0.78 0.00 0.00 1.02 0.00 0.00 22 K 8.49 4.57 0.00 1.87 1.76 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 23 P 0.00 4.33 0.00 2.18 2.14 0.00 3.64 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 2.14 2.23 0.00 24 G 8.19 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 25 Y 8.16 4.51 0.00 2.99 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 26 A 8.27 3.94 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 27 R 8.29 3.89 0.00 1.91 2.05 0.00 3.17 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 28 N 8.32 4.72 0.00 3.00 2.97 0.00 0.00 6.80 7.89 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 29 Y 7.94 4.56 0.00 3.16 3.34 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 30 L 7.77 3.73 0.00 1.75 1.47 0.55 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.45 3.94 0.00 1.74 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.15 0.00 2.06 2.11 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 33 R 7.51 4.02 0.00 1.42 1.75 0.00 2.54 0.00 0.00 3.08 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.27 0.00 34 G 7.56 3.66 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 0.00 0.00 0.00 35 L 7.65 4.59 0.00 1.41 1.62 0.89 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.09 4.58 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 37 V 8.08 4.47 2.06 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 0.92 0.00 0.00 0.90 0.00 0.00 38 L 8.59 4.28 0.00 1.68 1.55 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.03 4.52 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 40 T 8.00 3.91 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 41 E 8.73 4.32 0.00 1.96 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 0.00 2.31 2.36 0.00 42 S 7.90 4.53 0.00 3.87 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 43 N 8.10 4.54 0.00 2.72 2.77 0.00 0.00 6.47 6.25 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 44 L 7.84 4.13 0.00 1.92 1.65 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.85 4.47 0.00 2.01 2.02 0.00 1.56 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.47 7.81 46 A 7.43 4.00 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 47 L 7.83 4.20 0.00 1.87 1.67 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.32 3.90 0.00 2.08 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 0.00 2.32 2.47 0.00 49 A 8.17 4.08 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 50 R 7.78 3.87 0.00 2.01 2.03 0.00 3.11 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.07 0.00 51 I 8.04 4.04 2.07 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 1.83 0.91 0.91 0.00 0.00 52 R 8.29 4.01 0.00 2.00 2.17 0.00 2.80 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 1.64 1.67 0.00 53 A 8.04 3.92 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 54 Q 7.59 4.02 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 55 A 7.40 3.95 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 56 K 8.30 3.99 0.00 1.87 1.93 0.00 1.55 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 R 7.28 3.52 0.00 1.87 2.23 0.00 3.31 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 58 L 7.93 4.25 0.00 2.13 1.79 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.43 4.46 1.28 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 0.00 0.00 60 E 7.63 4.84 0.00 2.02 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 2.13 2.22 0.00 61 R 7.86 4.27 0.00 1.73 1.95 0.00 3.31 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 62 K 7.53 4.43 0.00 1.57 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.43 0.98 7.81 63 A 7.59 4.56 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 64 E 8.29 4.13 0.00 2.13 2.18 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 2.32 2.55 0.00 65 A 8.20 4.01 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 66 E 7.87 3.92 0.00 2.08 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 2.63 2.52 0.00 67 R 8.67 3.99 0.00 2.15 1.98 0.00 3.13 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 68 L 8.01 3.95 0.00 1.86 1.87 1.02 0.82 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 69 K 7.66 4.37 0.00 2.18 2.05 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.51 7.81 70 E 8.10 4.01 0.00 1.97 2.06 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 0.00 2.59 2.47 0.00 71 I 7.01 3.84 1.85 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 1.61 0.50 0.95 0.00 0.00 72 L 7.80 4.59 0.00 1.76 0.67 0.78 0.93 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 73 E 8.69 3.51 0.00 2.25 1.78 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 2.30 2.34 0.00 74 N 8.01 4.73 0.00 2.85 2.90 0.00 0.00 5.86 7.79 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 75 L 7.22 4.52 0.00 1.65 1.63 0.94 1.32 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 76 T 7.89 4.82 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 77 L 8.36 3.79 0.00 1.80 1.48 0.89 0.61 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 78 T 8.42 4.16 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 79 I 7.80 4.74 1.81 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 1.35 1.03 0.87 0.00 0.00 80 P 0.00 5.06 0.00 2.05 2.07 0.00 3.28 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 81 V 7.76 4.43 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 0.69 0.00 0.00 0.93 0.00 0.00 82 R 8.71 4.06 0.00 1.90 1.87 0.00 3.07 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 83 A 8.10 5.45 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 84 G 8.22 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.19 4.26 0.00 2.03 1.86 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 2.15 2.27 0.00 86 T 8.93 4.43 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 1.23 0.00 0.00 87 K 7.54 4.28 0.00 1.74 1.53 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.40 7.81 88 I 7.86 4.26 2.21 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 1.33 0.79 1.06 0.00 0.00 89 Y 8.74 4.46 0.00 3.06 2.99 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 0.00 0.00 0.00 90 G 6.95 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 91 S 8.23 5.23 0.00 3.93 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 92 V 8.05 4.97 2.02 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 0.92 0.00 0.00 0.86 0.00 0.00 93 T 8.50 4.20 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 1.26 0.00 0.00 94 A 8.69 4.09 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 95 K 8.02 4.00 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 96 D 7.88 4.34 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.58 3.76 2.03 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 1.41 1.02 0.89 0.00 0.00 98 A 8.13 3.96 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 99 E 7.39 3.69 0.00 2.16 2.18 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 2.32 2.31 0.00 100 A 7.86 4.47 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 0.00 101 L 7.76 3.89 0.00 1.81 1.70 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.97 4.55 0.00 3.85 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 0.00 103 R 7.54 4.59 0.00 1.90 1.89 0.00 3.19 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 104 Q 8.19 4.18 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 105 H 8.42 4.74 0.00 3.08 3.20 0.00 5.76 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 0.00 106 G 7.12 3.59 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 0.00 0.00 0.00 107 V 7.70 4.14 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 0.78 0.00 0.00 0.95 0.00 0.00 108 T 8.27 4.56 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 1.23 0.00 0.00 109 I 8.02 4.54 1.79 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 0.85 -0.28 1.02 0.00 0.00 110 D 10.04 4.82 0.00 2.66 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 0.00 111 P 0.00 4.31 0.00 2.28 2.34 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 112 K 7.56 3.76 0.00 1.94 1.93 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.45 7.81 113 R 7.89 4.46 0.00 1.89 1.35 0.00 3.09 0.00 0.00 2.98 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 114 L 8.22 4.76 0.00 1.89 1.46 0.99 0.74 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 0.00 115 A 8.34 4.55 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 0.00 116 L 7.75 4.42 0.00 1.68 1.64 0.94 1.17 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 0.00 117 E 8.80 3.94 0.00 2.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 118 K 8.82 4.00 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 119 P 0.00 4.26 0.00 2.19 2.12 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 120 I 7.95 3.00 1.96 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.73 0.44 0.00 0.00 121 K 8.33 4.84 0.00 2.08 1.91 0.00 1.63 0.00 0.00 1.91 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 122 E 7.83 4.90 0.00 2.18 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 2.27 0.00 123 L 8.83 4.45 0.00 1.66 0.73 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 124 G 9.87 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 0.00 125 E 7.81 4.97 0.00 1.99 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 2.23 2.18 0.00 126 Y 7.67 4.94 0.00 2.99 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 0.00 127 V 8.04 4.78 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 0.68 0.00 0.00 0.97 0.00 0.00 128 L 8.51 4.65 0.00 1.82 1.52 0.94 0.97 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 0.00 129 T 8.59 3.85 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 1.38 0.00 0.00 130 Y 9.86 4.23 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.98 0.00 1.71 1.59 0.00 1.68 0.00 0.00 2.31 0.00 0.00 2.93 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.20 1.19 7.81 132 P 0.00 4.82 0.00 2.05 1.90 0.00 3.67 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 133 H 8.53 3.77 0.00 3.35 3.20 0.00 5.55 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.44 0.00 2.14 2.13 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 135 E 8.05 4.31 0.00 2.03 1.93 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 2.23 2.56 0.00 136 V 8.03 4.52 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 0.86 0.00 0.00 1.05 0.00 0.00 137 P 0.00 4.78 0.00 2.12 2.14 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 138 I 8.42 4.26 1.88 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 1.23 1.33 0.97 0.00 0.00 139 Q 8.46 4.80 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 140 L 8.60 5.14 0.00 1.73 1.48 0.88 0.55 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 0.00 141 K 8.52 5.74 0.00 1.73 1.70 0.00 2.00 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.68 1.26 7.81 142 V 8.89 4.04 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 0.68 0.00 0.00 0.70 0.00 0.00 143 S 8.21 4.53 0.00 4.01 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 0.00 144 V 7.80 4.67 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 1.00 0.00 0.00 0.94 0.00 0.00 145 V 8.07 2.74 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 0.79 0.00 0.00 0.92 0.00 0.00 *146 A 8.38 4.12 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 * Residues marked with a * may have inaccurate shift predictions.