NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6136 8.2227 120.1738 53.7817 42.6689 176.0925 2 L 4.1168 8.4788 125.5118 56.8957 42.1974 177.7579 3 W 4.2148 9.0769 129.7537 60.7227 31.2076 177.4762 4 Q 3.4764 8.3632 117.4915 58.8082 28.1991 178.5960 5 F 4.5075 8.3362 121.5251 61.4287 39.4421 177.4913 6 G 3.4174 7.8537 104.8141 47.4676 0.0000 175.9262 7 K 3.8595 7.4459 120.4038 59.5177 32.0151 179.3630 8 M 4.1389 7.8247 118.9770 58.1994 31.7119 178.8621 9 I 3.5165 7.2930 119.5088 64.1740 37.2920 178.1952 10 L 4.5064 7.7210 122.2882 57.7526 41.7471 179.1313 11 K 3.9963 8.2483 117.3346 59.5376 32.0720 178.8209 12 E 4.2088 8.6256 118.1427 58.1875 29.6306 178.1110 13 T 4.4770 8.1486 108.2272 60.5247 70.2752 175.3966 14 G 3.8580 8.4340 109.0934 45.6616 0.0000 173.1055 15 K 4.4244 7.6942 117.7354 53.8064 35.4548 175.9568 16 L 4.5146 8.5266 122.8381 53.8120 42.7874 175.1230 17 P 4.4750 0.0000 0.0000 65.3196 31.4716 175.9009 18 F 4.9090 8.1679 118.7490 55.9779 40.5150 173.3627 19 P 3.7590 0.0000 0.0000 63.0555 32.1457 176.9783 20 Y 4.3960 7.1167 116.0375 60.0891 38.2052 176.7849 21 Y 4.5975 8.5089 116.0366 59.1966 40.2890 178.4906 22 V 3.8810 8.0487 112.8004 63.8188 31.9604 177.3678 23 T 4.4253 7.8702 108.8315 61.2658 69.0466 172.8069 24 Y 4.5338 8.1344 123.2011 58.2445 40.3828 176.2776 25 G 3.4764 7.0678 114.3320 47.2611 0.0000 173.0244 26 C 4.7055 8.8472 114.3140 57.4777 39.2838 173.8317 27 Y 4.2532 8.1960 119.0724 59.3751 39.2743 176.3974 28 C 4.5275 8.9259 116.7801 60.6069 40.6566 176.3486 29 G 4.1820 9.0008 106.4864 45.8804 0.0000 174.1639 30 V 4.2019 7.7447 119.6335 62.3727 31.7488 175.9149 31 G 4.0251 9.0611 103.7184 46.0637 0.0000 174.6499 32 G 2.6785 7.9980 105.5917 45.7370 0.0000 175.7793 33 R 4.1618 7.4509 119.9366 57.0477 30.9137 177.1694 34 G 4.0915 7.3920 103.3017 44.2785 0.0000 173.7547 35 G 3.9689 8.6458 107.8104 44.8534 0.0000 172.2875 36 P 4.5036 0.0000 0.0000 63.2086 31.2462 176.4255 37 K 3.9481 10.0477 126.3222 58.4088 32.6694 175.5443 38 D 4.6058 7.5176 115.7304 51.1868 41.8339 175.0698 39 A 4.0144 8.7885 120.0782 55.9625 18.4422 179.6535 40 T 4.1219 7.9330 113.6399 66.8770 68.5292 176.1593 41 D 4.6034 8.6629 120.0129 57.6646 41.1584 178.4348 42 R 3.9200 8.4262 119.3472 59.4027 30.0142 177.6867 43 C 4.0798 8.1829 116.6596 60.2201 40.6107 175.4879 44 C 4.4140 8.2323 118.0389 59.8381 36.0582 175.6862 45 F 3.3299 7.7517 121.7170 61.2755 39.0709 177.1726 46 V 3.1587 7.8192 117.6788 66.0876 31.0037 177.4935 47 H 3.9912 7.8828 118.0895 59.0291 29.6159 177.0294 48 D 4.1618 7.9418 120.8287 57.4184 40.5181 178.0585 49 C 4.2271 7.7736 117.0798 59.9339 39.8565 175.3125 50 C 4.1435 7.5897 118.9141 59.8955 42.5529 175.0123 51 Y 4.3576 7.8349 118.4625 61.0130 37.2238 178.3040 52 G 3.7793 8.2975 106.1615 48.0035 0.0000 175.3814 53 K 4.1839 7.7737 118.8194 57.5703 33.7382 177.8892 54 L 4.4378 7.8506 123.2584 52.8552 40.3509 176.8343 55 T 3.8430 7.8460 112.5689 65.0350 68.8932 176.7439 56 S 4.6606 7.8411 116.0346 58.1625 63.2004 174.3354 57 C 5.1291 7.7571 116.1220 55.2579 44.9655 174.7188 58 K 4.4417 7.8963 119.1027 53.2373 31.6732 175.0916 59 P 3.8194 0.0000 0.0000 64.7440 31.5740 177.5127 60 K 4.5176 7.7987 114.3483 56.6407 32.9770 176.7282 61 T 4.5104 7.6320 113.0193 63.1422 70.8402 173.5577 62 D 4.4533 8.1210 121.7331 53.3631 41.7799 175.2365 63 R 4.3327 8.4958 127.1604 55.0432 30.6414 175.0738 64 Y 4.7064 7.3916 125.4939 55.6484 40.6124 173.8681 65 S 5.0182 8.8621 113.7896 57.1887 65.1810 173.0693 66 Y 5.4673 8.7873 123.9619 55.9916 41.7388 173.7436 67 S 4.3564 8.9202 112.5042 56.5153 66.4727 174.0029 68 R 5.0288 7.8913 123.5037 55.1639 29.9782 176.4066 69 K 4.1474 7.8443 117.3236 58.7024 32.3735 178.1873 70 D 4.8717 8.2434 117.2083 53.8526 41.3595 177.0890 71 G 4.0446 8.8212 109.9846 44.8149 0.0000 174.1305 72 T 4.6675 7.3176 108.9483 59.4226 71.0942 174.1008 73 I 4.1422 8.5702 126.9860 61.5681 38.0810 175.5250 74 V 4.3671 9.2218 127.0418 61.0839 34.0613 174.1022 75 C 4.8241 9.0701 125.9167 56.1628 40.8126 174.3197 76 G 4.0283 8.9313 108.8906 46.6377 0.0000 174.6035 77 E 4.2506 8.8270 127.4443 54.7918 30.4598 175.3349 *79 D 4.3496 8.5025 124.4895 53.7391 42.4908 173.9449 80 P 4.1617 0.0000 0.0000 66.4274 31.2786 178.6610 81 C 4.2126 8.3043 115.9907 59.5005 41.2702 175.6901 82 R 4.0035 8.8201 119.9692 59.5766 29.7673 178.9617 83 K 3.8761 8.3817 119.2141 59.5030 32.2181 178.6904 84 E 3.9028 8.0712 118.7568 59.4221 29.4000 179.3136 85 I 3.6314 8.3821 120.3103 64.5551 37.1566 177.6153 86 C 3.1701 7.9813 119.2090 59.2585 42.6420 175.3882 87 E 3.8019 8.0980 120.1191 59.5417 29.0853 178.5035 88 C 4.1450 8.0524 116.3804 60.2837 41.4493 176.0081 89 D 4.1258 7.9884 120.0575 57.1422 40.4175 178.7086 90 K 3.7862 8.2705 120.1725 59.6046 32.1254 178.4027 91 A 3.9204 8.1938 120.9808 55.2263 18.1450 179.5196 92 A 3.5218 7.8724 118.7595 54.9372 18.4466 179.6619 93 A 3.9286 8.0342 119.2853 55.4780 18.4569 180.0534 94 V 3.5222 8.1019 117.1191 66.0378 31.2678 177.3611 95 C 4.1126 7.9324 117.8274 59.7455 39.4867 175.2586 96 F 4.4603 7.9259 119.6931 60.4742 38.3982 177.5927 97 R 3.9433 8.0860 118.2390 59.6676 29.8107 178.4735 98 E 4.1488 8.3996 116.8726 58.3610 29.5717 177.5318 99 N 5.0111 7.5883 115.2234 52.7587 39.6156 176.3399 100 L 4.0618 8.1575 121.4596 57.7732 41.8935 178.7962 101 D 4.4217 8.3075 117.3779 56.9540 40.9698 177.0016 102 T 4.6057 8.0141 105.9917 60.8952 69.4366 173.0764 103 Y 4.0294 8.2505 124.7575 58.3582 39.1299 174.5501 104 N 4.8512 8.4751 124.9548 51.5034 39.6957 175.8156 105 K 4.1832 8.4325 123.0706 57.6984 32.9432 178.7335 106 K 3.9992 7.5997 117.3650 60.1300 32.3503 177.7102 107 Y 4.2257 6.8646 114.9261 59.4459 37.7909 175.2502 108 M 4.2066 7.2944 120.2396 56.3285 32.3509 175.5639 109 S 3.7134 9.4463 123.2633 59.1865 61.2785 170.6571 110 Y 4.3361 8.0591 118.3522 57.4262 39.2933 174.4475 111 L 4.5069 6.9165 122.3555 52.5260 43.4044 176.8848 112 K 3.8778 8.7258 123.1877 59.7712 32.1899 176.5281 113 S 4.7042 8.4734 117.3444 58.6563 62.4438 173.5269 114 L 5.3692 7.8583 135.0000 55.6496 40.7899 174.5731 115 C 4.7811 7.1869 117.9407 55.4048 42.2354 173.5430 116 K 4.1574 8.6302 125.0799 56.2051 32.8349 175.8208 117 K 4.1067 8.5702 128.2433 57.0141 32.3267 176.2325 *119 A 4.2430 8.9666 129.4583 51.8462 19.6650 177.2130 120 D 4.5605 8.7237 114.8628 51.7953 41.1974 176.5749 121 D 5.0384 8.2495 120.2766 51.7672 41.5320 177.1974 122 C 4.4048 8.7993 115.6007 57.5479 41.1567 174.1019 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 D 8.22 4.61 0.00 2.82 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 2 L 8.48 4.12 0.00 2.03 1.83 1.15 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 3 W 9.08 4.21 0.00 3.46 3.56 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 4 Q 8.36 3.48 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 5 F 8.34 4.51 0.00 3.36 3.35 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 6 G 7.85 3.42 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 7 K 7.45 3.86 0.00 1.69 1.69 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.59 0.26 7.81 8 M 7.82 4.14 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.14 0.00 9 I 7.29 3.52 1.78 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.26 0.61 0.00 0.00 10 L 7.72 4.51 0.00 1.72 1.84 0.91 0.41 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 11 K 8.25 4.00 0.00 1.79 1.88 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.64 7.81 12 E 8.63 4.21 0.00 1.96 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 2.40 2.44 0.00 13 T 8.15 4.48 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 1.21 0.00 0.00 14 G 8.43 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 15 K 7.69 4.42 0.00 1.77 1.30 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.59 1.17 7.81 16 L 8.53 4.51 0.00 1.82 1.81 1.03 1.12 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 17 P 0.00 4.47 0.00 2.26 2.14 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 18 F 8.17 4.91 0.00 3.04 3.01 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 19 P 0.00 3.76 0.00 1.60 0.86 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.27 0.00 20 Y 7.12 4.40 0.00 2.92 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.51 4.60 0.00 2.97 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 22 V 8.05 3.88 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 0.99 0.00 0.00 1.22 0.00 0.00 23 T 7.87 4.43 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 1.22 0.00 0.00 24 Y 8.13 4.53 0.00 3.27 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 25 G 7.07 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.85 4.71 0.00 3.13 3.15 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 0.00 0.00 0.00 0.00 27 Y 8.20 4.25 0.00 3.17 3.16 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 28 C 8.93 4.53 0.00 3.52 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 29 G 9.00 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.74 4.20 2.27 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 0.99 0.00 0.00 1.04 0.00 0.00 31 G 9.06 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 32 G 8.00 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 0.00 0.00 0.00 33 R 7.45 4.16 0.00 1.91 1.97 0.00 3.14 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 34 G 7.39 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.65 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 36 P 0.00 4.50 0.00 1.83 2.08 0.00 3.43 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 1.62 1.87 0.00 37 K 10.05 3.95 0.00 1.25 1.21 0.00 1.45 0.00 0.00 1.33 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.75 7.81 38 D 7.52 4.61 0.00 2.94 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 39 A 8.79 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 40 T 7.93 4.12 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 1.37 0.00 0.00 41 D 8.66 4.60 0.00 3.23 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 42 R 8.43 3.92 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 43 C 8.18 4.08 0.00 3.08 2.41 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 44 C 8.23 4.41 0.00 3.47 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 45 F 7.75 3.33 0.00 2.03 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 46 V 7.82 3.16 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 0.91 0.00 0.00 47 H 7.88 3.99 0.00 3.17 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.94 4.16 0.00 2.92 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 49 C 7.77 4.23 0.00 2.79 2.89 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 0.00 0.00 0.00 50 C 7.59 4.14 0.00 3.03 3.11 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 51 Y 7.83 4.36 0.00 3.05 2.85 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 52 G 8.30 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 53 K 7.77 4.18 0.00 1.83 1.86 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.63 7.81 54 L 7.85 4.44 0.00 1.68 1.54 0.84 0.46 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 55 T 7.85 3.84 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 1.20 0.00 0.00 56 S 7.84 4.66 0.00 3.86 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 57 C 7.76 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 58 K 7.90 4.44 0.00 1.73 1.66 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.38 7.81 59 P 0.00 3.82 0.00 1.09 0.49 0.00 3.46 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 60 K 7.80 4.52 0.00 1.77 1.93 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.48 7.81 61 T 7.63 4.51 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 1.22 0.00 0.00 62 D 8.12 4.45 0.00 2.76 2.59 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 63 R 8.50 4.33 0.00 1.80 1.83 0.00 3.32 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 64 Y 7.39 4.71 0.00 3.15 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 65 S 8.86 5.02 0.00 3.99 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 66 Y 8.79 5.47 0.00 3.12 2.94 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 67 S 8.92 4.36 0.00 3.81 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.89 5.03 0.00 1.87 1.83 0.00 3.39 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 69 K 7.84 4.15 0.00 1.82 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.37 7.81 70 D 8.24 4.87 0.00 2.63 2.63 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 0.00 0.00 0.00 0.00 71 G 8.82 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 72 T 7.32 4.67 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 1.21 0.00 0.00 73 I 8.57 4.14 1.89 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 1.38 0.74 1.00 0.00 0.00 74 V 9.22 4.37 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 1.00 0.00 0.00 0.99 0.00 0.00 75 C 9.07 4.82 0.00 2.94 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 76 G 8.93 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 77 E 8.83 4.25 0.00 1.96 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 2.26 2.30 0.00 *79 D 8.50 4.35 0.00 2.80 2.63 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 0.00 0.00 0.00 0.00 80 P 0.00 4.16 0.00 2.29 2.30 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 81 C 8.30 4.21 0.00 3.27 3.15 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 0.00 0.00 0.00 0.00 82 R 8.82 4.00 0.00 1.98 2.16 0.00 3.20 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 83 K 8.38 3.88 0.00 1.80 1.78 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 84 E 8.07 3.90 0.00 2.20 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 2.51 2.47 0.00 85 I 8.38 3.63 2.09 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 1.25 0.89 0.96 0.00 0.00 86 C 7.98 3.17 0.00 2.12 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 87 E 8.10 3.80 0.00 2.11 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 2.43 2.45 0.00 88 C 8.05 4.15 0.00 3.30 3.15 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 0.00 0.00 0.00 0.00 89 D 7.99 4.13 0.00 2.75 2.92 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 0.00 0.00 0.00 90 K 8.27 3.79 0.00 1.67 1.93 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 91 A 8.19 3.92 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 92 A 7.87 3.52 1.20 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 93 A 8.03 3.93 1.43 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 0.00 0.00 94 V 8.10 3.52 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 1.02 0.00 0.00 0.95 0.00 0.00 95 C 7.93 4.11 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 96 F 7.93 4.46 0.00 2.98 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 97 R 8.09 3.94 0.00 2.01 2.11 0.00 3.10 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 98 E 8.40 4.15 0.00 1.94 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 2.45 2.48 0.00 99 N 7.59 5.01 0.00 2.78 2.87 0.00 0.00 6.82 6.59 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 0.00 100 L 8.16 4.06 0.00 1.81 1.72 0.89 0.77 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 0.00 101 D 8.31 4.42 0.00 2.65 2.77 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 0.00 102 T 8.01 4.61 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 0.00 103 Y 8.25 4.03 0.00 3.11 2.98 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 0.00 104 N 8.48 4.85 0.00 2.17 1.93 0.00 0.00 6.22 7.68 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 0.00 105 K 8.43 4.18 0.00 1.94 1.82 0.00 1.85 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.63 7.81 106 K 7.60 4.00 0.00 1.47 1.78 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.19 7.81 107 Y 6.86 4.23 0.00 1.73 1.90 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 0.00 108 M 7.29 4.21 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 109 S 9.45 3.71 0.00 3.92 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 0.00 110 Y 8.06 4.34 0.00 2.92 2.94 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 0.00 111 L 6.92 4.51 0.00 1.28 1.39 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.73 3.88 0.00 1.91 2.09 0.00 1.46 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 113 S 8.47 4.70 0.00 3.95 3.92 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 0.00 0.00 0.00 114 L 7.86 5.37 0.00 1.60 1.73 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 115 C 7.19 4.78 0.00 3.11 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 0.00 116 K 8.63 4.16 0.00 1.84 1.70 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.46 7.81 117 K 8.57 4.11 0.00 1.68 1.76 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.44 7.81 *119 A 8.97 4.24 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 0.00 120 D 8.72 4.56 0.00 2.78 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 0.00 121 D 8.25 5.04 0.00 2.90 2.82 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 0.00 122 C 8.80 4.40 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.