NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3518 0.0000 0.0000 62.4852 32.4911 176.7486 6 T 3.9617 8.2001 114.1585 60.6962 70.7393 173.7601 7 I 3.6430 8.3589 121.5189 64.4974 37.5956 179.0031 8 N 4.1698 8.2386 117.2475 57.1848 38.6434 176.5385 9 Q 3.9893 8.2698 119.0117 59.0372 28.6941 178.6731 10 L 3.9773 8.1370 120.2978 57.8331 41.4257 179.6633 11 V 3.6902 8.1571 117.3567 66.3459 31.6091 177.6207 12 R 3.9510 8.1419 116.7793 58.5640 29.5730 178.1402 13 K 3.6528 7.1033 123.4095 56.8165 33.4881 178.6531 14 G 4.1123 7.8830 105.0854 45.7738 0.0000 173.0976 15 R 4.1037 8.0980 118.3101 55.7263 30.8293 175.7743 16 E 4.5480 8.3565 121.3255 53.9908 31.1848 175.5948 17 K 4.1030 8.4966 127.7055 55.9661 32.3014 176.1702 18 V 3.2454 7.7461 119.2808 61.1186 31.9906 171.8852 19 R 3.8582 7.9421 133.4324 55.8382 29.8263 176.0142 20 K 4.6067 8.3225 123.5426 54.9397 35.1226 175.7374 21 K 4.3165 8.1159 118.7391 54.9982 33.5411 176.9577 22 S 4.1394 8.4107 116.4885 58.0559 62.0701 174.7340 23 K 3.9392 8.6133 128.8247 57.6555 31.9223 176.7461 24 V 3.9747 7.4352 114.0001 62.7072 33.0160 170.6965 25 P 4.5806 0.0000 0.0000 61.7896 30.4279 175.6687 26 A 4.4878 8.1121 132.8136 52.5814 20.1340 178.8555 27 L 3.6894 6.8747 121.9598 56.5133 40.7620 173.9265 28 K 4.5549 8.6445 116.7470 60.7934 30.2758 177.9242 29 G 3.6043 7.9893 110.5719 46.5582 0.0000 171.7341 30 A 4.6658 7.3522 124.6358 49.7550 21.4337 175.4298 31 P 3.9643 0.0000 0.0000 65.4544 31.4870 176.0535 32 F 5.0875 7.4497 112.5057 56.4274 43.4850 173.7870 33 R 4.6973 8.7730 119.4705 54.9139 33.7750 174.7255 34 R 4.8967 8.8124 126.0642 54.7650 32.5986 174.7553 35 G 4.4449 7.4585 110.5439 46.2349 0.0000 171.5136 36 V 4.6581 7.9214 120.7642 61.3505 33.6955 175.0721 37 C 4.6260 8.6016 125.2836 59.8811 27.3874 173.5084 38 T 3.9930 8.4479 120.1589 64.6792 67.5855 174.5623 39 V 4.4936 7.5520 118.8066 61.5498 35.6928 174.0756 40 V 4.8261 8.2430 123.9666 60.8926 31.9330 175.8556 41 R 4.4873 8.1026 133.4996 55.6317 29.0034 178.6867 42 T 4.4711 7.7586 103.9706 62.3640 68.4570 173.8035 43 V 4.2287 7.8249 122.8541 60.6011 34.2783 174.4142 44 T 4.8861 8.1634 109.9597 59.6089 71.4512 172.1623 45 P 4.2281 0.0000 0.0000 62.8451 32.5855 175.2417 46 K 4.4508 8.4662 120.1393 57.5200 33.0691 177.5289 47 K 4.2988 6.5652 111.7642 56.0392 34.8787 174.4468 48 P 4.7725 0.0000 0.0000 62.3754 32.1504 174.4254 49 N 4.9561 7.8625 116.3039 52.0282 40.8630 174.1094 50 S 4.4491 8.0802 112.7654 56.1765 65.2831 173.1577 51 A 4.2676 7.4725 128.5221 52.8886 22.0039 175.7027 52 L 5.0376 7.8809 113.9931 52.0175 41.8188 177.1230 53 R 4.1312 7.7447 118.7573 57.1011 32.0005 177.3008 54 K 4.3873 8.7761 121.8280 55.2723 33.8126 175.7485 55 V 4.8669 8.4144 124.1124 61.1094 35.6961 173.9256 56 A 4.8012 8.8495 125.7223 50.3823 22.8492 175.8584 57 K 4.6852 8.9547 122.2931 56.1552 34.0702 176.4065 58 V 4.8381 9.2651 123.7131 61.1585 35.2615 174.2321 59 R 4.6590 9.5358 129.9381 55.8476 30.7090 175.9809 60 L 4.8324 10.1437 127.2408 53.9728 42.7494 177.5960 61 T 4.0135 8.2726 110.5188 65.2326 68.6161 178.7433 62 S 4.3152 7.9937 119.0665 57.5577 61.9022 174.7407 63 G 3.9723 8.2716 106.0899 47.7311 0.0000 173.5070 64 Y 4.4378 7.8565 116.9894 57.3278 39.8802 174.3623 65 E 5.5244 8.3097 121.3161 54.3190 32.4377 174.6796 66 V 4.7535 8.1128 118.7791 59.8449 36.9054 174.0010 67 T 4.8176 8.5574 112.6159 61.5347 69.6909 173.8914 68 A 5.1245 9.3079 126.7860 50.2982 23.0640 174.8766 69 Y 4.9588 9.3300 122.3570 57.0605 41.0612 174.1912 70 I 4.5628 5.8893 120.6394 58.8106 40.3961 174.5842 71 P 4.1190 0.0000 0.0000 61.7175 32.4625 175.6317 72 G 3.6771 8.0280 106.2613 46.7695 0.0000 172.1361 73 E 4.0915 8.6272 117.7109 56.5849 30.0963 177.1013 74 G 4.0033 8.5516 115.4639 45.4297 0.0000 172.5034 75 H 4.5516 8.0844 111.4088 56.6296 31.4715 174.5711 76 N 4.5307 8.4183 111.0648 51.5357 37.0312 174.2436 77 L 4.4999 7.7865 118.3291 54.7318 43.4490 176.3745 78 Q 4.6959 8.7923 121.4790 53.4025 31.7706 176.1628 79 E 4.0319 8.7901 119.4977 59.3533 29.5358 176.6747 80 H 4.9930 7.7707 113.8543 56.1166 30.8550 173.1437 81 S 4.4992 8.4408 115.7115 57.8377 64.2467 174.2626 82 V 4.2038 8.4444 125.3383 63.1805 32.5740 174.9484 83 V 4.8945 8.8423 125.6920 61.9387 35.9734 172.0362 84 L 5.0224 8.5932 125.6013 53.4032 44.2490 174.8433 85 I 4.5954 8.8335 127.9777 60.7813 38.0775 176.4912 86 R 4.4725 10.0515 128.6133 56.4173 31.4053 174.6156 87 G 3.7622 10.4765 108.4446 45.5675 0.0000 171.7739 88 G 4.0310 8.0247 108.2255 44.9536 0.0000 171.1412 89 R 4.1804 8.7584 123.7024 55.5444 30.3292 177.0017 90 V 4.1614 7.5121 119.0233 62.1575 30.3088 174.5524 91 K 4.5517 7.2084 124.8018 54.4211 32.2837 175.0935 92 D 5.6252 7.8573 133.5546 54.3276 42.6732 176.0021 93 L 4.6714 6.8788 118.4436 52.9485 44.6925 173.8711 94 P 4.3534 0.0000 0.0000 64.0599 31.9255 175.5396 95 G 4.2424 9.2560 117.9259 45.7646 0.0000 173.0932 96 V 3.5918 6.9038 124.8939 63.2020 31.1448 175.6240 97 R 4.4435 8.6668 124.3480 55.6949 32.2168 174.7123 98 Y 5.1322 7.8779 116.1393 57.1655 42.5311 173.7502 99 H 5.2788 9.2857 119.6716 54.5720 31.9475 173.6492 100 I 4.8286 7.9031 121.3835 59.8719 38.2641 175.9225 101 V 3.6657 9.0331 127.9038 62.9520 30.7748 176.0592 102 R 3.9300 8.6479 127.3938 57.0050 30.5333 177.0057 103 G 4.1631 8.6689 105.5245 45.4688 0.0000 173.5533 104 V 4.2727 6.7543 117.8427 61.6105 35.4193 175.7414 105 Y 4.0146 7.8251 122.3930 59.7694 36.6065 173.3132 106 D 4.4612 9.2480 127.4249 56.9109 40.9488 176.2656 107 A 4.0375 8.4708 124.4782 51.8160 18.6613 176.2130 108 A 4.4653 8.2623 127.2526 50.5643 20.0530 177.2099 109 G 3.9324 8.4605 109.8103 46.3596 0.0000 172.4390 110 V 4.2017 7.8153 119.8828 61.7555 32.3107 175.5193 111 K 4.0484 8.6723 129.6539 56.8784 32.6909 176.1386 112 D 4.5232 8.9198 125.3700 54.9115 38.3244 173.7397 113 R 4.1755 7.8677 119.2337 56.1807 30.6104 176.1977 114 K 4.6539 8.4066 121.6837 56.3559 35.6542 176.7030 115 K 4.7310 7.3970 123.0315 55.1683 30.3997 180.1532 116 S 4.1092 8.7466 126.3347 60.1176 62.6184 173.7540 117 R 4.5748 8.3016 121.8722 55.2558 32.6957 177.5249 118 S 4.0747 8.4064 111.7391 61.0580 62.0409 174.7034 119 K 4.3402 7.8281 118.9750 57.4152 32.6081 177.0348 120 Y 3.7520 8.8976 119.2267 57.6027 35.1329 169.7077 121 G 3.8063 7.8052 106.7374 46.6179 0.0000 173.9462 122 T 4.3666 7.4290 117.0680 61.6658 69.6206 175.8543 123 K 4.0364 8.4143 125.7038 55.9798 32.7293 176.7462 124 K 4.0731 8.4129 123.5561 55.4012 31.9978 175.1544 125 P 4.4939 0.0000 0.0000 62.3344 32.2365 175.4173 126 K 4.4790 8.2223 120.0384 55.2802 33.4767 176.1545 127 E 4.1736 8.7651 122.9253 56.0381 30.7162 175.9209 128 A 3.5461 7.8480 120.3237 52.8950 16.1341 176.4657 *129 A 4.1172 7.7726 127.0840 52.7601 18.9464 177.1789 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 5 P 0.00 4.35 0.00 2.19 2.14 0.00 3.74 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 6 T 8.20 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 7 I 8.36 3.64 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 1.52 1.10 0.91 0.00 0.00 8 N 8.24 4.17 0.00 2.75 2.85 0.00 0.00 7.05 7.17 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 9 Q 8.27 3.99 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 8.14 3.98 0.00 1.86 1.73 0.92 0.73 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 11 V 8.16 3.69 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 0.83 0.00 0.00 0.98 0.00 0.00 12 R 8.14 3.95 0.00 2.01 1.77 0.00 3.23 0.00 0.00 3.22 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 13 K 7.10 3.65 0.00 1.86 1.77 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 14 G 7.88 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 15 R 8.10 4.10 0.00 1.81 1.87 0.00 3.34 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.36 4.55 0.00 1.90 1.83 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 2.20 2.26 0.00 17 K 8.50 4.10 0.00 1.75 1.69 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.75 3.25 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 19 R 7.94 3.86 0.00 1.95 2.01 0.00 3.20 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 K 8.32 4.61 0.00 1.87 1.76 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.36 7.81 21 K 8.12 4.32 0.00 1.75 1.78 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 22 S 8.41 4.14 0.00 3.86 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 23 K 8.61 3.94 0.00 1.72 1.76 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 24 V 7.44 3.97 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 0.90 0.00 0.00 0.58 0.00 0.00 25 P 0.00 4.58 0.00 2.30 2.15 0.00 4.00 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 2.21 2.12 0.00 26 A 8.11 4.49 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 27 L 6.87 3.69 0.00 1.75 1.63 0.52 0.56 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 28 K 8.64 4.55 0.00 1.74 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 29 G 7.99 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 0.00 0.00 0.00 30 A 7.35 4.67 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 31 P 0.00 3.96 0.00 2.01 1.89 0.00 3.68 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 2.05 2.06 0.00 32 F 7.45 5.09 0.00 2.93 3.10 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 0.00 0.00 0.00 0.00 33 R 8.77 4.70 0.00 1.84 1.69 0.00 3.25 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 34 R 8.81 4.90 0.00 2.00 1.77 0.00 2.74 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 35 G 7.46 4.44 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 0.00 36 V 7.92 4.66 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 0.91 0.00 0.00 0.89 0.00 0.00 37 C 8.60 4.63 0.00 3.06 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 38 T 8.45 3.99 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 1.24 0.00 0.00 39 V 7.55 4.49 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 0.92 0.00 0.00 40 V 8.24 4.83 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 0.92 0.00 0.00 0.95 0.00 0.00 41 R 8.10 4.49 0.00 1.87 1.65 0.00 3.36 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 42 T 7.76 4.47 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 43 V 7.82 4.23 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 0.88 0.00 0.00 0.96 0.00 0.00 44 T 8.16 4.89 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 45 P 0.00 4.23 0.00 2.20 2.08 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 46 K 8.47 4.45 0.00 1.85 1.65 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.34 7.81 47 K 6.57 4.30 0.00 1.78 1.73 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.47 7.81 48 P 0.00 4.77 0.00 2.18 2.09 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 49 N 7.86 4.96 0.00 2.73 2.77 0.00 0.00 6.59 7.66 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 50 S 8.08 4.45 0.00 3.77 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 51 A 7.47 4.27 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 52 L 7.88 5.04 0.00 1.62 1.62 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.74 4.13 0.00 1.87 2.10 0.00 3.24 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 54 K 8.78 4.39 0.00 1.56 1.57 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.43 7.81 55 V 8.41 4.87 2.14 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 1.11 0.00 0.00 1.06 0.00 0.00 56 A 8.85 4.80 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 57 K 8.95 4.69 0.00 1.74 1.73 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.40 7.81 58 V 9.27 4.84 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 0.80 0.00 0.00 0.93 0.00 0.00 59 R 9.54 4.66 0.00 1.88 1.79 0.00 3.18 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 60 L 10.14 4.83 0.00 1.62 1.56 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.27 4.01 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 1.25 0.00 0.00 62 S 7.99 4.32 0.00 3.79 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 63 G 8.27 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 64 Y 7.86 4.44 0.00 2.87 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 65 E 8.31 5.52 0.00 1.89 1.74 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 2.17 2.18 0.00 66 V 8.11 4.75 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 0.86 0.00 0.00 0.68 0.00 0.00 67 T 8.56 4.82 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 68 A 9.31 5.12 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 69 Y 9.33 4.96 0.00 2.89 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 5.89 4.56 1.46 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.51 0.69 0.00 0.00 71 P 0.00 4.12 0.00 1.37 1.56 0.00 3.56 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.00 0.00 72 G 8.03 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 73 E 8.63 4.09 0.00 2.01 1.92 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 2.34 2.36 0.00 74 G 8.55 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 0.00 0.00 0.00 75 H 8.08 4.55 0.00 3.18 3.15 0.00 5.57 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.42 4.53 0.00 2.75 2.80 0.00 0.00 5.83 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 77 L 7.79 4.50 0.00 1.73 1.66 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.79 4.70 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 79 E 8.79 4.03 0.00 1.95 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 0.00 2.29 2.53 0.00 80 H 7.77 4.99 0.00 2.95 3.22 0.00 5.94 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.44 4.50 0.00 3.79 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 82 V 8.44 4.20 2.30 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 0.62 0.00 0.00 0.87 0.00 0.00 83 V 8.84 4.89 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 0.84 0.00 0.00 0.98 0.00 0.00 84 L 8.59 5.02 0.00 1.76 1.42 0.49 1.14 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 85 I 8.83 4.60 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.21 0.95 0.00 0.00 86 R 10.05 4.47 0.00 1.95 2.32 0.00 3.42 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 87 G 10.48 3.76 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 0.00 0.00 0.00 88 G 8.02 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 89 R 8.76 4.18 0.00 1.73 1.84 0.00 3.00 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 90 V 7.51 4.16 1.83 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 0.37 0.00 0.00 0.52 0.00 0.00 91 K 7.21 4.55 0.00 1.70 1.72 0.00 1.84 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.51 7.81 92 D 7.86 5.63 0.00 2.83 2.56 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 93 L 6.88 4.67 0.00 1.59 1.46 0.81 1.03 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 94 P 0.00 4.35 0.00 2.03 1.98 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 95 G 9.26 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 0.00 0.00 0.00 0.00 96 V 6.90 3.59 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 0.95 0.00 0.00 0.94 0.00 0.00 97 R 8.67 4.44 0.00 1.47 1.16 0.00 3.03 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.76 0.00 98 Y 7.88 5.13 0.00 2.94 2.88 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 99 H 9.29 5.28 0.00 3.21 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.90 4.83 1.93 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 1.15 0.66 0.94 0.00 0.00 101 V 9.03 3.67 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 0.51 0.00 0.00 0.84 0.00 0.00 102 R 8.65 3.93 0.00 1.79 1.81 0.00 3.55 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 103 G 8.67 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 0.00 0.00 0.00 104 V 6.75 4.27 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 0.14 0.00 0.00 0.75 0.00 0.00 105 Y 7.83 4.01 0.00 3.13 2.28 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 0.00 106 D 9.25 4.46 0.00 2.96 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 0.00 107 A 8.47 4.04 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 0.00 108 A 8.26 4.47 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 0.00 109 G 8.46 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.82 4.20 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 0.83 0.00 0.00 1.06 0.00 0.00 111 K 8.67 4.05 0.00 1.82 1.71 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 112 D 8.92 4.52 0.00 2.89 2.79 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 0.00 0.00 0.00 0.00 113 R 7.87 4.18 0.00 1.80 1.83 0.00 3.26 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 114 K 8.41 4.65 0.00 1.72 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.57 7.81 115 K 7.40 4.73 0.00 1.65 0.91 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 116 S 8.75 4.11 0.00 3.53 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 0.00 117 R 8.30 4.57 0.00 1.79 2.03 0.00 3.56 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 118 S 8.41 4.07 0.00 3.82 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 0.00 119 K 7.83 4.34 0.00 1.91 2.04 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.48 7.81 120 Y 8.90 3.75 0.00 3.10 3.26 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 0.00 121 G 7.81 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 0.00 122 T 7.43 4.37 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 1.34 0.00 0.00 123 K 8.41 4.04 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.37 7.81 124 K 8.41 4.07 0.00 1.69 1.74 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 125 P 0.00 4.49 0.00 2.21 2.03 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 126 K 8.22 4.48 0.00 1.71 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.59 7.81 127 E 8.77 4.17 0.00 1.99 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 2.25 2.23 0.00 128 A 7.85 3.55 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 *129 A 7.77 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.