NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 K 4.2956 8.3101 122.1404 53.8089 33.5506 177.6568 15 A 3.7566 9.1353 125.1099 52.2451 17.3544 177.8040 16 R 4.1122 9.2292 113.5084 56.2764 28.8478 178.6989 17 K 4.5535 7.8102 118.8746 56.9351 36.2009 180.3227 18 A 4.2317 8.4584 123.7876 55.9053 19.9241 179.5922 *19 Y 4.2392 8.4845 115.3161 57.9926 35.5750 181.7135 *20 F 4.1869 9.4006 115.1667 58.7285 39.0168 178.8385 21 T 4.5000 10.7500 108.7449 60.8420 70.2486 174.9609 22 A 4.8203 7.8616 127.8851 50.4524 22.8233 174.8945 23 P 4.6570 0.0000 0.0000 61.7188 32.0839 176.7341 24 S 4.1499 8.9165 121.0971 61.7090 62.2251 176.5916 25 S 4.1108 8.1100 117.9321 61.1006 62.0457 178.1912 26 Q 4.6427 8.6435 119.0168 55.2736 29.4736 182.1683 27 R 4.5724 9.0218 127.1511 61.2575 30.5080 181.3302 28 R 4.2476 8.0518 122.5083 62.4160 29.2763 182.5316 29 V 4.0912 7.9112 120.2558 65.1288 31.6420 179.7120 30 L 4.8150 7.4221 122.1681 58.9611 43.2937 184.2868 31 L 4.6825 8.9032 128.2500 55.5013 37.7687 178.1354 32 S 5.2924 7.5186 120.1528 56.4900 66.1044 173.8846 33 A 4.7368 8.4137 119.0299 52.5540 22.6245 175.4805 34 P 4.7526 0.0000 0.0000 63.3563 32.3756 175.8082 35 L 4.9560 7.8333 123.7380 54.2815 42.9972 178.6333 36 S 4.2409 8.6953 119.0041 58.8352 62.9975 177.1351 37 K 4.1388 8.9982 133.0788 60.1680 31.6827 177.5125 38 E 4.3956 8.4098 121.5017 61.6631 29.5913 181.6784 39 L 4.2674 7.9043 125.1337 59.9057 40.9783 181.7644 40 R 4.3439 10.4696 117.9755 59.3744 29.2009 178.3708 41 A 4.8370 7.6178 119.9523 56.1820 20.9058 178.6537 42 Q 3.9519 8.7845 120.4461 61.2069 27.9902 180.7336 *43 Y 4.4087 7.6011 123.3251 61.2580 37.6956 180.4088 44 G 4.0430 8.7749 109.0223 46.6803 0.0000 173.7156 45 I 4.5912 7.4959 117.6372 57.7456 39.6299 178.0936 46 K 4.0453 8.6310 126.5977 55.7546 31.8753 174.3215 47 A 4.5893 7.4106 120.4868 53.7766 23.5342 173.5577 48 L 4.2865 7.8923 117.3144 55.4115 46.1754 169.4327 49 P 5.0190 0.0000 0.0000 63.7038 30.2692 171.1360 50 I 3.4194 7.4623 124.5931 59.2914 35.0837 174.7190 51 R 4.7231 8.3367 126.8274 53.7081 31.6428 172.7427 52 R 4.0294 7.9734 120.0385 59.9802 29.9418 179.2397 53 D 4.5038 7.9935 118.4210 54.9430 39.7914 178.7999 54 D 4.8856 8.1863 123.8060 55.3782 41.6630 180.2039 55 E 4.9372 9.3177 116.0394 57.2774 34.3138 173.9815 56 V 4.9182 9.1879 121.8034 61.4505 36.8104 174.9945 57 L 5.1626 8.8514 122.4561 54.5249 42.4220 172.8881 58 V 3.6792 8.2725 124.6611 59.9371 32.0672 178.7334 59 V 3.6807 8.4520 124.9982 63.8402 30.2340 176.8742 60 R 4.4224 5.8400 116.6505 56.8144 30.0469 179.4191 61 G 3.9039 7.8867 109.6367 46.4427 0.0000 175.5844 62 S 4.0884 8.9489 120.0660 61.7808 62.6895 177.7958 63 K 4.4191 7.8735 124.2692 54.5335 29.3388 179.4152 64 K 4.6903 7.1525 124.8777 53.6566 33.3718 180.5350 65 G 3.8067 8.5596 108.7236 48.1057 0.0000 175.3852 66 Q 4.0937 9.0019 121.4456 55.8352 28.5676 180.8909 67 E 5.2126 9.3263 116.1176 52.8448 34.5637 175.1274 68 G 3.8841 7.4391 104.7925 47.6885 0.0000 171.4972 69 K 4.8398 7.9687 123.6444 53.5098 33.9764 173.3419 70 I 4.6002 7.9080 127.1713 59.7177 32.0964 173.7923 71 S 3.6129 8.3265 121.5928 61.5133 62.3761 177.0313 72 S 4.9070 8.3984 116.4906 57.5913 67.4911 176.7788 73 V 4.5068 8.2212 116.9351 60.9094 33.6970 176.3343 *74 Y 4.3535 8.2712 128.8675 55.3671 35.4120 174.3806 75 R 3.9874 8.4810 127.7227 59.5175 29.9167 179.5163 76 L 4.5395 7.9214 118.1879 54.8484 40.2303 179.8568 77 K 4.5595 7.9974 119.7236 54.6899 34.5306 180.2359 *78 F 3.6478 8.9902 114.2944 56.1621 34.9641 178.9956 79 A 4.9686 6.9150 135.0000 52.1241 20.9222 177.0435 80 V 4.7139 8.3480 123.1389 60.2559 35.8875 174.8828 81 Q 4.9027 9.4082 124.7624 54.6558 31.5955 176.3995 82 V 4.0212 8.3455 124.5521 61.6418 32.9780 175.5847 83 D 3.8443 10.5980 126.1263 56.5062 39.2786 175.9073 84 K 3.9268 8.5166 124.2079 58.3002 32.4914 180.5650 85 V 3.7617 7.2270 121.6509 61.9386 30.7908 177.6907 86 T 4.9039 8.0695 121.2045 59.1907 72.8709 171.4656 87 K 4.3708 9.0740 129.8646 55.3940 33.2114 176.7205 88 E 4.8566 8.8296 125.6982 54.4641 31.8833 173.4514 89 K 4.2922 9.0557 129.6743 53.3180 32.5828 176.0587 90 V 3.9460 8.5827 123.2844 62.2417 32.1294 174.4048 91 N 4.5778 7.3332 116.6957 55.1973 36.3478 182.2625 92 G 3.7796 7.5236 113.5779 44.8267 0.0000 172.2126 93 A 4.7697 7.3460 124.8759 51.1439 23.4347 177.2481 94 S 5.0718 8.7170 119.8451 57.6167 65.8411 175.7435 95 V 4.5346 8.9519 125.3958 58.9342 35.8518 171.1676 96 P 4.4827 0.0000 0.0000 63.1823 31.5645 174.0657 97 I 4.3588 8.2737 122.6719 58.7801 36.5672 174.3389 98 N 4.2619 8.7854 128.4174 53.6833 38.1146 173.2905 99 L 4.7790 8.6603 128.9562 52.5547 44.3877 174.2748 *100 H 4.7846 8.6244 120.8416 56.1434 28.6373 178.3730 101 P 3.8963 0.0000 0.0000 65.1255 31.4514 179.4024 102 S 4.7734 6.8702 119.3201 58.2705 61.7445 178.3769 103 K 4.7258 9.3241 123.7538 55.4302 35.9426 178.9870 104 L 5.1011 7.6412 124.6296 55.7262 40.8675 182.6895 105 V 4.4080 8.0071 115.0234 62.8876 36.3059 170.5687 106 I 4.1408 9.0077 129.5384 60.9557 34.7153 174.1873 107 T 3.9625 8.7615 125.1630 63.8783 68.3830 173.1831 108 K 4.7512 7.9560 126.6322 54.0533 36.5033 177.1115 109 L 4.8506 8.4805 124.8375 53.2925 43.3412 178.2400 *110 H 4.5697 8.6300 123.5893 53.2861 26.6486 175.1776 111 L 4.0365 7.8720 123.6925 55.7985 41.4402 179.0818 112 D 5.0575 8.3119 124.4386 50.7786 43.6945 174.4954 113 K 4.2610 8.6497 126.5424 57.9049 31.8397 177.3588 114 D 4.6428 7.7895 124.6362 57.8550 39.4846 180.9204 115 R 4.1933 8.0484 125.0919 62.8479 29.3055 180.7208 116 K 3.7716 10.1943 121.4814 59.3724 31.0959 180.9342 117 A 4.3120 8.0483 125.5632 56.0222 19.2071 180.1526 118 L 4.1749 8.0878 122.1341 59.7962 42.0323 181.7760 119 I 4.4707 8.7060 122.0235 62.5569 31.9463 180.8008 120 Q 4.3710 7.7403 123.4540 55.1690 28.8479 175.1817 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 14 K 8.31 4.30 0.00 1.79 0.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 15 A 9.14 3.76 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 16 R 9.23 4.11 0.00 2.00 1.89 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 17 K 7.81 4.55 0.00 1.89 1.65 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.24 7.81 18 A 8.46 4.23 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 *19 Y 8.48 4.24 0.00 2.25 1.76 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 *20 F 9.40 4.19 0.00 2.29 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 0.00 0.00 0.00 0.00 21 T 10.75 4.50 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 22 A 7.86 4.82 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 23 P 0.00 4.66 0.00 2.01 1.92 0.00 3.78 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 1.99 1.57 0.00 24 S 8.92 4.15 0.00 3.64 3.94 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 25 S 8.11 4.11 0.00 3.62 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 26 Q 8.64 4.64 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 27 R 9.02 4.57 0.00 1.74 1.94 0.00 3.25 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 28 R 8.05 4.25 0.00 1.81 1.98 0.00 3.23 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 29 V 7.91 4.09 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 0.94 0.00 0.00 0.93 0.00 0.00 30 L 7.42 4.81 0.00 1.68 1.59 0.92 1.26 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 31 L 8.90 4.68 0.00 1.47 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.52 5.29 0.00 3.60 3.68 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 33 A 8.41 4.74 1.21 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 0.00 0.00 34 P 0.00 4.75 0.00 1.78 1.94 0.00 3.72 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 2.02 1.59 0.00 35 L 7.83 4.96 0.00 1.55 1.46 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.70 4.24 0.00 3.68 3.77 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 37 K 9.00 4.14 0.00 1.84 1.79 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.12 7.81 38 E 8.41 4.40 0.00 1.96 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 1.96 0.00 39 L 7.90 4.27 0.00 1.64 1.70 0.92 0.88 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 40 R 10.47 4.34 0.00 1.91 1.87 0.00 3.18 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 41 A 7.62 4.84 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 42 Q 8.78 3.95 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 *43 Y 7.60 4.41 0.00 2.40 2.25 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 44 G 8.77 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 45 I 7.50 4.59 1.87 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 1.27 0.87 0.91 0.00 0.00 46 K 8.63 4.05 0.00 1.67 1.88 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.05 7.81 47 A 7.41 4.59 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 48 L 7.89 4.29 0.00 1.32 1.52 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 5.02 0.00 1.84 1.90 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.58 0.00 50 I 7.46 3.42 1.87 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 1.16 1.08 0.91 0.00 0.00 51 R 8.34 4.72 0.00 1.80 1.70 0.00 3.24 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 52 R 7.97 4.03 0.00 1.73 1.86 0.00 3.22 0.00 0.00 3.37 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 53 D 7.99 4.50 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.19 4.89 0.00 2.38 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.32 4.94 0.00 1.57 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 2.12 2.09 0.00 56 V 9.19 4.92 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 0.57 0.00 0.00 0.93 0.00 0.00 57 L 8.85 5.16 0.00 1.27 1.52 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.27 3.68 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 0.63 0.00 0.00 0.93 0.00 0.00 59 V 8.45 3.68 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 0.82 0.00 0.00 0.93 0.00 0.00 60 R 5.84 4.42 0.00 1.82 1.84 0.00 3.23 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 61 G 7.89 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 0.00 0.00 0.00 62 S 8.95 4.09 0.00 3.64 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 63 K 7.87 4.42 0.00 1.77 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 64 K 7.15 4.69 0.00 1.67 1.70 0.00 1.98 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 0.96 7.81 65 G 8.56 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 0.00 0.00 0.00 66 Q 9.00 4.09 0.00 1.82 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 67 E 9.33 5.21 0.00 1.92 1.69 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 2.11 1.84 0.00 68 G 7.44 3.88 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 0.00 0.00 0.00 69 K 7.97 4.84 0.00 1.67 1.68 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 0.97 7.81 70 I 7.91 4.60 1.87 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 1.08 1.07 0.91 0.00 0.00 71 S 8.33 3.61 0.00 3.39 3.65 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 72 S 8.40 4.91 0.00 3.37 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 4.51 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 0.90 0.00 0.00 0.93 0.00 0.00 *74 Y 8.27 4.35 0.00 2.19 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 0.00 0.00 0.00 75 R 8.48 3.99 0.00 1.73 1.97 0.00 3.21 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 76 L 7.92 4.54 0.00 1.66 1.57 0.92 0.61 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 77 K 8.00 4.56 0.00 1.71 1.64 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.24 7.81 *78 F 8.99 3.65 0.00 2.28 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 0.00 0.00 0.00 79 A 6.92 4.97 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 80 V 8.35 4.71 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 0.71 0.00 0.00 0.93 0.00 0.00 81 Q 9.41 4.90 0.00 1.65 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 82 V 8.35 4.02 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 0.68 0.00 0.00 0.93 0.00 0.00 83 D 10.60 3.84 0.00 2.48 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 84 K 8.52 3.93 0.00 1.77 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 85 V 7.23 3.76 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 0.82 0.00 0.00 0.93 0.00 0.00 86 T 8.07 4.90 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 87 K 9.07 4.37 0.00 1.43 1.72 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.35 1.26 7.81 88 E 8.83 4.86 0.00 1.73 1.75 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 2.15 1.86 0.00 89 K 9.06 4.29 0.00 1.66 1.72 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.25 7.81 90 V 8.58 3.95 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 0.86 0.00 0.00 0.93 0.00 0.00 91 N 7.33 4.58 0.00 2.79 2.66 0.00 0.00 7.09 7.39 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 92 G 7.52 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 93 A 7.35 4.77 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 94 S 8.72 5.07 0.00 3.36 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.95 4.53 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 0.61 0.00 0.00 0.93 0.00 0.00 96 P 0.00 4.48 0.00 1.84 1.91 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 97 I 8.27 4.36 1.87 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 1.20 1.24 0.91 0.00 0.00 98 N 8.79 4.26 0.00 2.50 2.73 0.00 0.00 6.69 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 99 L 8.66 4.78 0.00 1.32 1.54 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 *100 H 8.62 4.78 0.00 2.82 3.04 0.00 7.28 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 3.90 0.00 2.06 1.89 0.00 3.70 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 1.95 1.56 0.00 102 S 6.87 4.77 0.00 3.65 3.77 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 0.00 103 K 9.32 4.73 0.00 1.53 1.73 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.25 7.81 104 L 7.64 5.10 0.00 1.65 1.36 0.92 0.75 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 0.00 105 V 8.01 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 0.57 0.00 0.00 0.93 0.00 0.00 106 I 9.01 4.14 1.87 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 1.09 0.54 0.91 0.00 0.00 107 T 8.76 3.96 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 0.00 108 K 7.96 4.75 0.00 1.38 1.62 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.34 1.01 7.81 109 L 8.48 4.85 0.00 1.64 1.46 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *110 H 8.63 4.57 0.00 2.92 2.94 0.00 7.19 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.87 4.04 0.00 1.65 1.53 0.92 0.93 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 0.00 112 D 8.31 5.06 0.00 2.54 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.65 4.26 0.00 1.68 1.84 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.07 7.81 114 D 7.79 4.64 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 4.19 0.00 1.90 1.91 0.00 3.26 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.30 0.00 116 K 10.19 3.77 0.00 1.76 1.70 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.36 7.81 117 A 8.05 4.31 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 0.00 118 L 8.09 4.17 0.00 1.74 1.64 0.92 1.20 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 0.00 119 I 8.71 4.47 1.87 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 1.38 1.10 0.91 0.00 0.00 120 Q 7.74 4.37 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.62 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.