NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.3480 0.0000 0.0000 62.6317 32.8108 175.0514 10 M 4.0868 8.9235 118.5036 53.8638 33.1228 177.0459 11 R 3.4107 8.2243 123.5303 58.6999 32.6939 176.5943 12 R 4.5986 8.3753 115.2073 55.7072 30.2360 176.8320 13 R 4.7493 7.8905 114.5527 56.1127 31.2430 175.3969 14 R 4.6734 7.9066 111.3326 55.2580 32.7246 175.7480 15 E 3.7448 8.6709 118.8215 56.4929 28.0017 176.5766 16 A 4.8550 10.1643 110.6026 50.7733 20.3560 177.3020 17 R 4.5100 8.6588 125.5163 57.1283 28.3860 176.7618 18 T 4.1932 7.3466 108.8112 63.3570 67.6714 172.8568 19 D 4.3325 9.0981 117.0306 56.5284 45.8527 178.7636 20 Y 3.9685 8.5419 119.0389 59.9322 40.0585 177.4118 21 H 3.8318 6.4903 116.7603 58.0887 28.8296 176.8483 22 Q 4.1552 10.1208 114.5634 57.2367 28.8766 177.3947 23 R 4.2026 8.7132 120.3579 59.1061 30.4719 178.0218 24 L 4.0075 7.9351 118.0228 57.3981 41.2376 179.0990 25 R 3.8444 7.9117 118.6797 59.8696 30.1683 178.2082 26 L 4.1440 7.9142 117.4485 56.8746 41.5036 178.5045 27 L 3.8027 8.0467 120.0038 59.2595 41.9713 179.4834 28 K 4.5349 7.0097 117.9918 56.9607 33.3216 176.0034 29 S 4.4670 7.6745 110.2025 57.7025 67.0905 174.5582 30 G 4.1410 9.3639 108.5239 45.3010 0.0000 174.7544 31 K 4.3004 7.7943 115.7182 54.9695 35.8954 172.1364 32 P 4.9265 0.0000 0.0000 62.9211 32.3051 178.0111 33 R 4.1949 9.1598 123.3485 57.8820 29.0671 176.8784 34 L 3.8220 7.3109 116.2357 55.0796 40.4109 178.5370 35 V 4.3750 12.0000 120.0410 64.0970 32.7182 174.5787 36 A 4.9414 8.7642 130.5914 50.1640 19.7238 175.3808 37 R 4.2635 9.0499 121.6985 56.4659 31.2422 176.3737 38 K 4.8160 8.3057 122.6513 55.1116 35.7744 176.3078 39 S 4.4265 8.7349 113.3025 59.2427 65.3718 180.1251 40 N 3.5043 8.9638 116.0456 53.9023 40.3203 175.6500 41 K 4.6108 6.9181 123.0500 57.1359 34.8361 174.0405 42 H 4.5520 12.0000 113.1871 55.4220 31.2309 173.1109 43 V 4.7824 7.5020 118.1500 61.2956 35.0829 174.4344 44 R 4.5962 9.7711 126.2609 54.7777 34.1332 173.9856 45 A 5.0855 8.1102 124.8762 49.5351 22.2455 176.4636 46 Q 4.5829 8.2139 117.9848 54.9635 31.7882 178.9594 47 L 4.5080 7.8236 115.0603 55.2876 43.3911 174.5236 48 V 4.7869 7.4596 119.2941 63.2400 32.8771 175.2057 49 T 4.6537 8.7031 125.4003 61.4580 70.6357 171.6065 *52 P 3.8891 0.0000 0.0000 64.7164 32.0182 177.1470 53 N 3.6496 9.3097 115.7968 55.2491 36.5783 177.0671 54 G 3.9085 7.5281 118.7487 46.4381 0.0000 174.5994 55 D 4.9278 9.1306 119.5281 53.1680 40.4360 173.8225 56 D 4.4542 7.4319 123.2928 53.6586 46.2439 178.0490 57 T 4.1651 8.8463 108.6686 61.6660 71.6141 173.2437 58 L 4.4155 8.5910 119.5465 58.9341 40.8638 178.5092 59 A 3.8626 6.9588 126.9631 54.4159 15.7512 177.3840 60 S 4.2363 7.7896 118.5405 60.3542 63.8273 175.4486 61 A 4.6655 7.6161 120.6889 51.6152 21.5298 174.5846 62 H 5.0960 8.3565 118.7600 54.1625 33.1263 174.7134 63 S 4.2964 8.4205 116.0000 60.8895 62.8514 176.3203 64 S 4.1928 8.1898 111.7180 61.7970 62.7840 177.1230 65 D 4.4249 6.8742 117.8895 56.7824 41.4714 177.5473 66 L 4.4041 7.6217 116.3294 54.4145 41.1592 175.5549 67 A 3.3279 8.5859 123.1026 53.2287 18.7231 176.9801 68 E 5.3736 8.2545 113.2152 54.9340 30.4777 178.2000 69 Y 2.9229 7.2297 116.3490 59.2896 36.4733 172.2540 70 G 3.8613 7.0155 107.3913 45.5391 0.0000 173.3673 71 W 5.1194 8.1497 117.5685 55.4163 30.0249 176.5330 72 E 3.4394 8.0460 114.8610 57.1816 29.7247 175.0186 *74 P 4.4115 0.0000 0.0000 62.9448 32.8212 178.8411 75 T 4.0701 9.5855 111.7959 62.5831 73.8990 176.8626 76 G 3.6198 8.8217 104.9090 47.9439 0.0000 176.0078 *80 S 4.2397 7.1521 115.2580 55.9306 65.8484 177.4685 81 A 2.9851 8.1720 114.4288 51.9916 19.9087 181.0388 82 Y 3.7337 7.5449 114.1945 58.8974 38.8958 175.3618 83 L 4.3632 9.5156 118.5880 55.3037 43.2719 180.2976 84 T 3.8140 7.9918 114.5623 66.5293 68.9135 175.7326 85 G 3.7215 8.3453 110.8842 45.8827 0.0000 177.3405 86 L 3.1704 7.7022 111.9323 54.0274 43.3935 178.6571 87 L 3.4507 7.2577 116.5118 57.9180 42.4665 180.0163 88 A 4.4806 8.2692 118.7107 55.3384 19.6834 179.4508 89 G 4.0450 8.7562 104.1562 46.9874 0.0000 175.4848 90 L 3.9735 9.9037 119.8614 57.4570 41.8958 178.8902 91 R 4.0511 8.0357 117.8647 59.9151 29.0897 177.7796 92 A 4.0955 8.1580 120.4554 54.8668 18.2877 179.1767 93 Q 4.0364 7.8412 114.6286 58.1637 28.7955 178.2603 94 E 4.2061 7.7200 119.4962 59.5478 30.2652 177.6250 95 A 4.1286 9.4207 120.8805 53.2753 18.3550 177.9511 96 G 4.3894 7.4654 115.8210 45.8469 0.0000 173.5573 97 V 4.0725 7.3747 128.2433 61.5225 31.0746 174.7494 98 E 5.0640 9.1621 118.6797 54.6727 24.8054 177.3802 99 E 4.3611 8.7192 125.2009 54.3871 30.6239 174.9514 100 A 4.9514 7.8359 125.0524 49.8001 21.4659 176.4339 101 V 3.9620 8.0249 119.7756 61.1840 33.0688 176.1136 102 L 4.4074 8.4078 122.7803 55.1222 42.9671 176.7130 103 D 4.5438 8.3736 119.4495 52.2585 42.6742 175.6058 104 I 3.7644 8.5657 121.6525 62.0318 37.2265 179.3803 105 G 3.6769 10.1321 106.2675 47.5994 0.0000 173.9137 106 L 4.0005 12.0000 125.7264 55.4761 45.2800 173.6582 107 N 3.6183 7.7473 125.4857 49.9784 43.5533 173.6886 108 S 4.2700 8.5265 114.2187 57.5524 64.2126 172.3464 109 P 3.4811 0.0000 0.0000 62.3880 30.9753 175.0733 110 T 3.8512 12.0000 114.1023 61.0948 68.4869 172.3414 111 P 4.6150 0.0000 0.0000 65.5829 33.0077 177.8583 *114 K 4.2655 8.1582 113.9778 56.3054 34.3093 180.5130 115 V 2.4802 9.3552 122.8241 62.8793 34.6177 177.5948 116 F 4.9241 5.5101 118.1535 60.9368 39.4011 176.3887 117 A 4.0779 10.1531 115.0814 55.0745 18.0269 180.5333 118 I 3.2687 8.4746 119.6861 62.8909 39.9896 175.4237 119 Q 3.4410 8.8148 115.5237 58.0944 28.6609 180.4485 120 E 3.8738 9.6512 119.4449 59.9493 29.6791 180.5752 121 G 3.4597 9.2236 99.7926 46.3601 0.0000 175.9758 122 A 3.4960 7.5792 119.0730 54.0347 19.0337 180.5422 123 I 2.8459 7.9751 110.7951 62.3598 38.0496 177.0385 124 D 4.8708 7.5389 124.8704 58.0707 41.7058 178.7875 125 A 4.1151 10.2355 119.9169 52.7561 18.1929 179.3676 126 G 3.9575 9.3885 104.8179 45.6543 0.0000 174.9129 127 L 4.3927 7.8358 122.5362 54.9675 40.6604 174.8496 128 D 4.2613 6.5160 120.7977 51.1519 42.6035 177.1998 129 I 3.8383 8.0221 122.1475 62.3435 38.1076 174.0458 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 9 P 0.00 4.35 0.00 2.16 2.17 0.00 3.72 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 1.89 1.96 0.00 10 M 8.92 4.09 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 11 R 8.22 3.41 0.00 1.95 2.09 0.00 3.01 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 12 R 8.38 4.60 0.00 2.00 2.06 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 13 R 7.89 4.75 0.00 1.73 2.06 0.00 3.19 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 14 R 7.91 4.67 0.00 1.89 1.96 0.00 3.37 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 15 E 8.67 3.74 0.00 1.95 1.72 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 2.30 2.31 0.00 16 A 10.16 4.86 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 17 R 8.66 4.51 0.00 1.84 2.41 0.00 3.44 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 18 T 7.35 4.19 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 1.41 0.00 0.00 19 D 9.10 4.33 0.00 2.86 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 20 Y 8.54 3.97 0.00 3.18 3.33 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 21 H 6.49 3.83 0.00 2.52 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 10.12 4.16 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 23 R 8.71 4.20 0.00 1.85 2.20 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 24 L 7.94 4.01 0.00 1.72 1.68 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.91 3.84 0.00 1.74 2.04 0.00 3.23 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 L 7.91 4.14 0.00 1.85 1.69 0.94 0.47 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 27 L 8.05 3.80 0.00 1.64 1.98 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.01 4.53 0.00 1.72 1.72 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 29 S 7.67 4.47 0.00 3.78 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 30 G 9.36 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 31 K 7.79 4.30 0.00 1.88 1.99 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.21 1.16 7.81 32 P 0.00 4.93 0.00 2.11 2.19 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.85 0.00 33 R 9.16 4.19 0.00 1.85 1.97 0.00 3.32 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 34 L 7.31 3.82 0.00 1.61 1.83 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 35 V 12.00 4.37 1.87 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 0.99 0.00 0.00 0.87 0.00 0.00 36 A 8.76 4.94 1.22 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 37 R 9.05 4.26 0.00 1.87 1.88 0.00 3.25 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 38 K 8.31 4.82 0.00 1.71 1.75 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.42 7.81 39 S 8.73 4.43 0.00 3.91 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 40 N 8.96 3.50 0.00 2.85 2.59 0.00 0.00 6.76 6.75 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 41 K 6.92 4.61 0.00 1.67 1.66 0.00 0.61 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.40 7.81 42 H 12.00 4.55 0.00 3.53 3.55 0.00 5.45 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.50 4.78 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 0.99 0.00 0.00 0.93 0.00 0.00 44 R 9.77 4.60 0.00 1.66 1.77 0.00 3.11 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 45 A 8.11 5.09 1.13 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 0.00 0.00 46 Q 8.21 4.58 0.00 1.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.26 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 47 L 7.82 4.51 0.00 1.47 1.56 0.93 0.83 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 48 V 7.46 4.79 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 1.17 0.00 0.00 0.94 0.00 0.00 49 T 8.70 4.65 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 *52 P 0.00 3.89 0.00 2.07 2.02 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 53 N 9.31 3.65 0.00 2.93 3.24 0.00 0.00 5.94 7.30 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 54 G 7.53 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 55 D 9.13 4.93 0.00 2.72 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 56 D 7.43 4.45 0.00 2.62 1.80 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.85 4.17 4.26 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 1.34 0.00 0.00 58 L 8.59 4.42 0.00 1.73 1.68 0.93 0.49 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 59 A 6.96 3.86 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 60 S 7.79 4.24 0.00 4.03 4.16 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 61 A 7.62 4.67 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 62 H 8.36 5.10 0.00 3.58 3.16 0.00 5.82 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 63 S 8.42 4.30 0.00 4.05 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 64 S 8.19 4.19 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 6.87 4.42 0.00 2.92 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 66 L 7.62 4.40 0.00 1.69 1.53 0.99 0.95 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 67 A 8.59 3.33 0.95 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 68 E 8.25 5.37 0.00 1.93 1.99 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 2.25 2.26 0.00 69 Y 7.23 2.92 0.00 2.68 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 0.00 0.00 0.00 70 G 7.02 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 71 W 8.15 5.12 0.00 3.25 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 72 E 8.05 3.44 0.00 2.12 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 0.00 2.30 2.42 0.00 *74 P 0.00 4.41 0.00 2.27 1.59 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 75 T 9.59 4.07 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 1.30 0.00 0.00 76 G 8.82 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 *80 S 7.15 4.24 0.00 4.04 4.02 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 81 A 8.17 2.99 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 82 Y 7.54 3.73 0.00 3.50 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 83 L 9.52 4.36 0.00 1.72 1.55 1.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.99 3.81 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 1.24 0.00 0.00 85 G 8.35 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 0.00 0.00 0.00 86 L 7.70 3.17 0.00 1.88 1.54 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.26 3.45 0.00 1.76 1.60 0.97 1.00 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 88 A 8.27 4.48 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 89 G 8.76 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 90 L 9.90 3.97 0.00 1.79 1.76 0.95 0.89 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 91 R 8.04 4.05 0.00 1.89 2.16 0.00 3.21 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 92 A 8.16 4.10 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 93 Q 7.84 4.04 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.82 0.00 94 E 7.72 4.21 0.00 2.10 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 0.00 2.21 2.67 0.00 95 A 9.42 4.13 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 96 G 7.47 4.39 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 0.00 97 V 7.37 4.07 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 0.85 0.00 0.00 0.94 0.00 0.00 98 E 9.16 5.06 0.00 2.21 1.99 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 2.07 2.07 0.00 99 E 8.72 4.36 0.00 1.97 1.96 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 2.24 2.23 0.00 100 A 7.84 4.95 1.22 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 0.00 101 V 8.02 3.96 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 0.77 0.00 0.00 0.93 0.00 0.00 102 L 8.41 4.41 0.00 1.53 1.63 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.37 4.54 0.00 2.68 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 0.00 104 I 8.57 3.76 1.82 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 1.26 0.64 0.88 0.00 0.00 105 G 10.13 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 0.00 0.00 0.00 106 L 12.00 4.00 0.00 1.58 1.36 0.95 1.04 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 0.00 107 N 7.75 3.62 0.00 2.68 2.72 0.00 0.00 6.85 7.63 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 0.00 108 S 8.53 4.27 0.00 4.01 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 0.00 109 P 0.00 3.48 0.00 1.21 1.35 0.00 3.60 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 110 T 12.00 3.85 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 1.14 0.00 0.00 111 P 0.00 4.61 0.00 2.15 2.20 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 *114 K 8.16 4.27 0.00 1.80 1.28 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 115 V 9.36 2.48 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.79 0.00 0.00 116 F 5.51 4.92 0.00 3.37 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 0.00 117 A 10.15 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.47 3.27 1.84 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 1.53 0.94 0.00 0.00 119 Q 8.81 3.44 0.00 2.53 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.27 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 120 E 9.65 3.87 0.00 1.95 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 2.08 2.37 0.00 121 G 9.22 3.46 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 0.00 122 A 7.58 3.50 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 0.00 123 I 7.98 2.85 2.06 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 1.65 0.82 0.93 0.00 0.00 124 D 7.54 4.87 0.00 2.81 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 0.00 125 A 10.24 4.12 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 0.00 126 G 9.39 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 0.00 0.00 0.00 127 L 7.84 4.39 0.00 1.59 1.62 0.93 1.69 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 0.00 128 D 6.52 4.26 0.00 3.59 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 0.00 129 I 8.02 3.84 1.88 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 1.52 0.50 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.