NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3917 0.0000 0.0000 61.6361 33.5394 175.3641 4 I 4.5857 7.8924 118.9469 58.8572 38.7139 174.2218 5 F 4.2282 8.6352 130.1937 56.6167 42.8205 174.8647 6 G 3.2134 5.9039 108.0853 45.3639 0.0000 170.5108 7 P 4.7271 0.0000 0.0000 61.8489 31.6821 175.3552 8 E 4.3582 9.2180 125.8390 58.9508 30.7282 176.3739 9 E 5.3572 8.1066 116.5853 54.6747 33.9960 175.1912 10 V 4.5024 9.3139 123.2038 61.2574 34.7854 173.7942 11 N 5.6151 8.8969 124.4568 51.8892 41.6046 173.4336 12 S 4.6322 9.1116 116.1804 57.4746 67.1778 172.1122 13 V 4.8406 8.1390 120.1211 60.3824 34.1655 174.4785 14 E 4.2174 9.1556 128.4471 58.2819 29.7657 177.0853 15 G 4.0802 9.2337 114.7876 44.9964 0.0000 173.0567 16 N 4.8294 7.9835 117.3313 52.4489 41.0730 173.8769 17 S 5.3208 8.4521 114.8587 57.0648 65.9271 174.4301 18 V 4.5864 8.7384 121.4868 60.1776 35.1795 174.2096 19 S 5.0620 8.5461 116.9689 56.7834 66.1006 173.4048 20 I 4.3305 8.4758 124.9635 59.7047 39.8465 174.4489 21 T 4.6085 8.3545 123.6593 61.8077 70.5523 174.4744 22 C 4.8411 7.9957 123.4605 55.1423 40.3651 172.5940 23 Y 5.2014 9.1722 120.9399 56.6046 40.6226 174.3404 24 Y 5.5262 8.7381 119.6311 54.1787 42.4751 172.5715 25 P 4.3762 0.0000 0.0000 62.1156 31.5166 176.7111 26 P 4.7893 0.0000 0.0000 62.4490 30.8326 177.2653 27 T 4.2019 7.8387 108.9734 62.2739 70.9104 173.7538 28 S 4.1298 8.6105 116.0177 61.8980 62.6113 176.5827 29 V 3.5361 7.7001 114.1338 64.5605 31.4119 178.0514 30 N 4.2301 7.7870 117.3311 55.7537 38.1628 177.5065 31 R 4.3497 7.8765 117.9575 58.2908 30.0869 176.8465 32 H 4.9858 7.8103 113.3310 55.2787 29.1695 172.9143 33 T 4.4270 7.5355 116.8524 62.1284 70.1653 173.9253 34 R 3.8601 8.1993 124.7052 56.6489 31.2378 174.6583 35 K 4.7541 8.9906 125.4683 54.6050 34.8115 174.8150 36 Y 5.4875 8.3023 121.4458 55.2397 42.4410 173.9180 37 W 5.8967 9.4432 129.9114 56.1801 33.8467 171.5094 38 C 5.3392 9.2677 121.3404 53.6192 45.1495 172.5325 39 R 4.3598 8.2627 119.6782 54.3518 32.1106 174.9327 40 Q 4.1616 8.4008 126.1660 55.5376 29.2628 174.8378 *46 C 4.5322 8.6586 124.1165 56.4942 46.0622 172.6803 47 I 4.3563 8.3382 127.8264 59.9568 38.5316 175.5380 48 T 4.1341 8.4961 124.2663 64.2089 68.5208 173.8797 49 L 4.3968 9.1519 126.2764 56.3206 44.0103 176.4945 50 I 4.9605 7.5093 116.1561 60.1456 41.4405 173.2942 51 S 5.4160 9.8757 123.5471 56.5577 66.1684 174.5668 52 S 4.4783 9.0848 117.7017 59.3660 63.0989 174.6819 53 E 4.2254 7.9641 118.3439 56.1756 29.8809 176.4400 54 G 4.0065 7.4254 105.5849 45.6740 0.0000 173.6311 55 Y 4.2895 8.4531 122.3599 56.8434 39.5281 174.8080 56 V 4.6257 6.9501 125.7522 59.9564 34.2748 174.7972 57 S 4.1622 8.8405 120.3072 57.4760 63.5428 175.4227 58 S 4.2783 8.5978 118.6067 61.7874 62.5973 176.9390 59 K 4.2619 7.9754 127.1819 59.3170 31.8793 182.9649 60 Y 4.8498 8.0328 115.0300 57.3921 38.3942 175.3895 61 A 4.1765 7.3992 123.6651 53.9212 18.6830 177.2798 62 G 4.0690 9.2074 112.3152 44.8908 0.0000 173.8561 63 R 4.5822 7.6623 113.6554 55.6333 30.7392 175.2399 64 A 4.7600 7.5886 119.2075 51.7144 22.2142 174.8168 65 N 4.9934 8.7198 116.2432 51.8020 41.6726 172.7180 66 L 5.1423 8.3227 119.9825 53.5952 44.9349 175.2874 67 T 4.2754 9.4830 124.0158 61.8710 70.4849 172.8844 68 N 4.8769 8.4144 125.5944 51.7782 40.4534 174.9077 69 F 5.2247 8.6563 125.6052 55.1083 38.5973 173.9079 70 P 4.9100 0.0000 0.0000 65.6855 31.8540 179.4865 71 E 3.7124 8.3351 112.0549 58.3926 29.4227 178.9266 72 N 4.6985 8.0950 112.6249 52.7779 40.0272 174.4803 73 G 3.2012 9.0401 105.8267 46.8078 0.0000 173.1106 74 T 4.9901 7.5194 108.2560 59.5101 72.8052 172.4954 75 F 5.3615 8.4827 116.4690 55.3853 41.7417 173.2575 76 V 4.6415 9.1137 121.3999 61.0555 34.4690 174.1402 77 V 4.8116 8.2825 127.7974 61.2913 33.5021 173.7859 78 N 5.1734 8.7503 125.8688 51.6165 40.8951 173.9858 79 I 4.6520 8.7063 124.3960 59.4625 40.0970 174.9439 80 A 4.6378 9.2809 130.2328 49.7522 21.2289 175.9221 81 Q 3.2150 8.2891 117.3342 56.5558 27.5992 173.7842 82 L 4.2758 8.3440 118.5451 55.5469 43.0586 177.2350 83 S 5.0662 9.5513 115.5029 56.2827 65.6954 175.0376 84 Q 4.4187 8.8126 122.9010 58.5983 28.6627 178.6164 85 D 4.5073 7.9570 117.2920 56.8552 40.9640 177.3270 86 D 4.7505 8.4414 118.3339 56.1377 41.1675 177.1146 87 S 4.4824 7.8325 116.3867 57.6415 63.4876 174.5824 88 G 3.8514 8.2600 112.0523 46.0760 0.0000 170.2422 89 R 5.0688 7.4798 117.5228 54.8802 32.6589 175.4447 90 Y 4.8376 9.2359 120.1008 56.4290 43.0267 174.0113 91 K 5.8953 8.8634 117.9813 55.1060 37.0870 173.2847 92 C 5.7639 9.0325 118.0364 54.2240 46.0076 173.1728 93 G 4.0782 8.0081 107.4719 45.7575 0.0000 171.4022 94 L 5.0007 8.0222 118.6656 53.1473 44.4811 178.8542 95 G 4.0074 9.0990 109.5798 46.4849 0.0000 174.5846 96 I 4.2380 8.0429 124.1653 59.3219 38.3394 174.9588 97 N 3.7653 7.6342 121.2619 56.2778 38.7780 177.7825 98 S 4.1353 7.9801 121.1982 61.6782 62.9905 178.6977 99 R 4.0334 7.7751 114.9395 57.4328 29.0509 182.8825 100 G 4.0998 8.0126 104.2256 47.3031 0.0000 174.9507 101 L 4.4826 7.3297 123.0039 52.5797 40.5690 175.7800 102 S 5.0201 7.5132 114.7186 57.2063 65.5975 173.9581 103 F 5.0157 8.9428 121.2771 57.1411 42.8837 174.3053 104 D 5.1697 7.7973 125.1256 53.3050 42.0465 175.8195 105 V 4.6499 8.8829 123.9162 61.2276 34.7514 174.1299 106 S 5.2435 8.9990 124.1745 57.0472 64.9613 172.6645 107 L 5.2270 9.3988 127.8535 53.2722 44.3071 174.4257 108 E 4.9248 9.4412 127.7589 54.4804 32.2115 174.5570 109 V 4.6571 8.8020 128.5780 61.2674 32.6020 175.4603 110 L 4.3764 9.3597 129.7562 54.1674 43.3267 176.6425 111 E 4.5445 9.0709 121.1857 57.2183 29.7775 176.8955 112 H 4.2606 8.7450 119.6831 55.1939 28.5847 174.6740 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 3 P 0.00 4.39 0.00 2.29 2.24 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 4 I 7.89 4.59 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 1.14 0.00 0.00 5 F 8.64 4.23 0.00 2.92 2.76 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 6 G 5.90 3.21 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 0.00 7 P 0.00 4.73 0.00 2.25 2.13 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 8 E 9.22 4.36 0.00 2.32 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 0.00 2.42 2.31 0.00 9 E 8.11 5.36 0.00 1.89 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 2.26 2.37 0.00 10 V 9.31 4.50 2.15 0.00 0.00 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 0.00 0.00 0.99 0.00 0.00 11 N 8.90 5.62 0.00 2.63 2.70 0.00 0.00 6.82 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 12 S 9.11 4.63 0.00 3.84 3.69 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 13 V 8.14 4.84 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 0.97 0.00 0.00 0.95 0.00 0.00 14 E 9.16 4.22 0.00 2.08 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 2.21 2.45 0.00 15 G 9.23 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.98 4.83 0.00 2.80 2.76 0.00 0.00 6.62 7.28 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 17 S 8.45 5.32 0.00 3.67 3.67 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 18 V 8.74 4.59 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 0.85 0.00 0.00 0.89 0.00 0.00 19 S 8.55 5.06 0.00 3.65 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 20 I 8.48 4.33 1.25 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.51 0.76 0.00 0.00 21 T 8.35 4.61 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 0.82 0.00 0.00 22 C 8.00 4.84 0.00 1.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.17 5.20 0.00 2.99 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 24 Y 8.74 5.53 0.00 3.04 3.14 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 25 P 0.00 4.38 0.00 2.20 2.15 0.00 3.92 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 26 P 0.00 4.79 0.00 2.20 2.16 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 27 T 7.84 4.20 4.28 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 1.31 0.00 0.00 28 S 8.61 4.13 0.00 3.92 3.99 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 29 V 7.70 3.54 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 0.82 0.00 0.00 0.92 0.00 0.00 30 N 7.79 4.23 0.00 3.01 2.65 0.00 0.00 6.56 8.65 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 31 R 7.88 4.35 0.00 2.07 2.10 0.00 3.18 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 32 H 7.81 4.99 0.00 3.20 3.32 0.00 5.54 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.54 4.43 4.13 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 1.16 0.00 0.00 34 R 8.20 3.86 0.00 1.88 1.85 0.00 3.11 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 35 K 8.99 4.75 0.00 1.13 0.74 0.00 1.05 0.00 0.00 1.28 0.00 0.00 2.94 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.06 1.14 7.81 36 Y 8.30 5.49 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.44 5.90 0.00 3.55 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 38 C 9.27 5.34 0.00 2.99 3.08 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 0.00 0.00 0.00 0.00 39 R 8.26 4.36 0.00 1.37 1.49 0.00 2.35 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.96 0.00 40 Q 8.40 4.16 0.00 1.77 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.20 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 *46 C 8.66 4.53 0.00 2.93 2.95 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 47 I 8.34 4.36 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.31 0.87 0.00 0.00 48 T 8.50 4.13 4.23 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 1.43 0.00 0.00 49 L 9.15 4.40 0.00 1.57 0.72 0.76 0.16 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 50 I 7.51 4.96 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 1.27 0.00 0.00 51 S 9.88 5.42 0.00 4.00 3.95 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 52 S 9.08 4.48 0.00 3.93 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 53 E 7.96 4.23 0.00 2.10 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 0.00 2.24 2.37 0.00 54 G 7.43 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.45 4.29 0.00 3.15 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 56 V 6.95 4.63 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 0.67 0.00 0.00 1.00 0.00 0.00 57 S 8.84 4.16 0.00 4.01 4.29 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 58 S 8.60 4.28 0.00 4.05 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 59 K 7.98 4.26 0.00 1.90 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 60 Y 8.03 4.85 0.00 3.13 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 61 A 7.40 4.18 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 62 G 9.21 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.66 4.58 0.00 1.97 2.06 0.00 2.21 0.00 0.00 2.61 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 64 A 7.59 4.76 0.76 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 65 N 8.72 4.99 0.00 2.74 2.86 0.00 0.00 6.68 5.95 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 66 L 8.32 5.14 0.00 1.68 1.56 1.00 0.88 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 67 T 9.48 4.28 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 0.08 0.00 0.00 68 N 8.41 4.88 0.00 2.65 2.66 0.00 0.00 7.00 7.02 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 69 F 8.66 5.22 0.00 3.19 2.68 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 70 P 0.00 4.91 0.00 2.28 2.40 0.00 4.05 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 71 E 8.34 3.71 0.00 1.98 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 2.24 1.90 0.00 72 N 8.10 4.70 0.00 2.52 2.89 0.00 0.00 6.97 7.98 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 73 G 9.04 3.20 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 T 7.52 4.99 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 75 F 8.48 5.36 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 76 V 9.11 4.64 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 0.83 0.00 0.00 0.89 0.00 0.00 77 V 8.28 4.81 1.27 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 0.45 0.00 0.00 0.75 0.00 0.00 78 N 8.75 5.17 0.00 2.60 2.60 0.00 0.00 6.33 7.06 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 79 I 8.71 4.65 1.74 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 0.92 0.61 0.70 0.00 0.00 80 A 9.28 4.64 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 81 Q 8.29 3.21 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 82 L 8.34 4.28 0.00 1.69 1.60 0.91 0.81 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 83 S 9.55 5.07 0.00 3.75 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 84 Q 8.81 4.42 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.69 0.00 0.00 0.00 0.00 0.00 2.72 2.80 0.00 85 D 7.96 4.51 0.00 2.73 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 86 D 8.44 4.75 0.00 2.90 2.91 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 87 S 7.83 4.48 0.00 3.99 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 88 G 8.26 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.48 5.07 0.00 1.61 1.74 0.00 3.00 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 90 Y 9.24 4.84 0.00 2.19 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 91 K 8.86 5.90 0.00 1.77 1.78 0.00 1.65 0.00 0.00 1.88 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.19 7.81 92 C 9.03 5.76 0.00 3.34 3.67 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 93 G 8.01 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.02 5.00 0.00 1.40 1.34 0.07 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 95 G 9.10 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.04 4.24 1.84 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 1.16 0.80 0.00 0.00 97 N 7.63 3.77 0.00 2.53 2.44 0.00 0.00 7.70 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 98 S 7.98 4.14 0.00 3.62 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 99 R 7.78 4.03 0.00 1.77 1.96 0.00 3.39 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 100 G 8.01 4.10 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 0.00 0.00 0.00 101 L 7.33 4.48 0.00 1.86 1.67 0.98 0.66 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 0.00 102 S 7.51 5.02 0.00 4.21 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 0.00 103 F 8.94 5.02 0.00 3.29 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 0.00 104 D 7.80 5.17 0.00 2.28 2.43 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 0.00 0.00 0.00 0.00 105 V 8.88 4.65 2.47 0.00 0.00 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 0.00 0.00 1.35 0.00 0.00 106 S 9.00 5.24 0.00 4.00 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 0.00 107 L 9.40 5.23 0.00 1.85 1.83 1.00 0.71 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 0.00 108 E 9.44 4.92 0.00 2.11 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 2.22 2.29 0.00 109 V 8.80 4.66 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 0.87 0.00 0.00 1.06 0.00 0.00 110 L 9.36 4.38 0.00 1.70 1.59 0.94 0.79 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 0.00 111 E 9.07 4.54 0.00 1.83 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 2.51 0.00 112 H 8.74 4.26 0.00 3.29 3.48 0.00 5.56 0.00 0.00 0.00 0.00 6.91 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.