NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4960 8.1633 118.3342 55.2503 33.6538 172.9344 2 L 4.9366 8.4603 118.6709 53.0928 43.3811 174.9991 3 R 4.6902 8.9348 123.7345 54.7072 33.4399 174.9042 4 T 4.9597 8.3668 116.6598 61.3552 68.9267 173.6261 5 M 5.0551 9.0563 126.7768 53.3551 37.3990 173.7732 6 L 3.5538 8.6847 122.8990 56.0501 42.2034 176.0794 7 K 4.3788 8.6086 128.7996 58.1645 33.9878 176.0725 8 S 4.9663 8.0848 112.4836 57.3197 67.1014 173.6243 9 K 4.9998 8.3368 119.6247 56.7402 36.1930 174.3199 10 I 4.5865 8.3368 129.1759 60.2571 37.8796 174.2776 11 H 4.6327 9.3697 129.6001 55.6397 30.7339 175.4906 12 R 4.3523 8.5765 125.9775 57.2738 27.1141 176.4826 13 A 4.4529 7.4972 117.2916 52.2318 20.1393 177.6107 14 T 4.8536 8.5231 116.9268 61.7961 70.5391 175.2107 15 V 3.4768 8.6180 126.2119 63.5539 31.5153 176.0474 16 T 3.9901 8.6458 125.0964 66.0560 67.5959 175.9931 17 C 5.1292 7.2403 115.3836 57.8441 33.9534 171.4615 18 A 4.6691 8.0383 114.9547 51.8031 21.4734 175.8606 19 D 4.5585 8.4247 121.8913 52.5725 44.3025 175.6022 20 L 4.1096 8.9751 128.5228 58.4724 43.0777 176.9292 21 H 4.7539 8.4502 113.6681 55.5163 30.0367 170.0518 22 Y 3.3115 8.4487 129.9312 56.9854 39.8652 169.1637 23 V 4.4193 7.2158 125.5432 61.6172 33.7581 174.8509 24 G 4.2403 8.7966 110.8374 45.0119 0.0000 176.7922 25 S 3.1442 8.1238 116.8557 58.5660 63.6019 173.6333 26 V 5.3688 5.4500 118.8771 60.1538 34.6657 173.5460 27 T 5.0469 8.4927 118.9430 60.7353 69.7058 173.6099 28 I 4.8235 8.9407 128.5296 58.9292 40.2299 174.9202 29 D 4.5909 8.7453 124.2881 54.3801 41.6881 176.7093 30 A 3.9920 8.7038 128.5508 55.8648 18.3243 179.1392 31 D 4.3509 8.6025 117.2219 57.8118 40.8736 179.4115 32 L 4.0091 8.2701 119.4154 58.0763 41.5388 179.4946 33 M 4.1515 7.9757 118.1829 58.2194 31.9000 178.4622 34 D 4.2987 8.1583 118.9787 57.0052 40.9180 178.4653 35 A 3.8551 8.0875 121.2647 55.3029 18.3588 178.2382 36 A 4.1520 8.4141 115.3652 51.3749 18.7027 176.8975 37 D 4.3130 7.8657 112.6447 55.1227 39.2787 172.1799 38 L 4.9458 9.2462 122.4070 52.5718 46.0304 175.8987 39 L 4.6068 8.9240 122.7246 52.3921 43.4298 175.9591 40 E 3.8309 8.7830 123.5594 58.7418 29.4475 175.9541 41 G 3.8647 10.7781 116.5146 45.7908 0.0000 170.6631 42 E 4.6762 8.2222 121.6715 54.7364 33.3864 173.9391 43 Q 4.5405 9.1650 128.5396 57.0492 29.6966 175.6243 44 V 4.7442 11.0519 125.8513 61.4809 35.2206 174.2473 45 T 5.1655 9.0844 122.9414 62.0981 71.5031 173.5549 46 I 5.2266 8.6796 124.4774 59.6890 41.3480 174.9014 47 V 4.8463 8.6091 118.9680 59.6426 35.3743 174.1761 48 D 4.9063 8.7535 126.4649 53.1500 41.3487 176.8962 49 I 3.7378 8.9608 128.9326 64.6290 37.0878 177.9394 50 D 4.5508 8.3899 120.9758 56.7350 40.9241 176.7394 51 N 4.9573 8.4817 114.8502 52.2109 37.9830 174.1525 52 G 4.0377 8.4161 104.4582 46.9599 0.0000 174.1334 53 A 4.3700 7.6041 120.1996 51.7354 20.0560 178.0996 54 R 5.5508 8.1346 117.5030 54.8898 33.8310 174.7285 55 L 4.9517 8.6389 122.8078 52.8209 46.6317 175.7149 56 V 4.7656 8.1912 119.4244 61.8953 33.9877 174.1569 57 T 4.7688 9.1444 122.4444 61.4581 71.7188 171.7841 58 Y 5.5248 8.8882 120.1299 55.5816 40.5732 173.9450 59 A 5.0076 8.6542 120.8108 50.1997 22.2688 175.2792 60 I 4.7494 9.1928 122.8764 59.3899 40.2047 175.2913 61 T 4.2093 8.5086 123.8200 64.0796 68.8383 174.5633 62 G 4.0982 9.9379 115.1631 44.2907 0.0000 172.0470 63 E 4.4383 8.4983 119.9440 55.9247 30.9452 176.6193 64 R 4.4250 8.6614 123.6484 57.1168 31.0192 178.9117 65 G 3.5237 9.2323 109.5552 47.1912 0.0000 175.3292 66 S 4.1182 8.8006 113.9922 59.1064 62.8534 174.5266 67 G 4.0522 8.4682 109.0995 46.3037 0.0000 173.7035 68 V 3.7130 7.5604 118.4911 63.0822 33.1818 175.4753 69 I 4.7008 8.5137 127.2564 60.3018 40.0699 173.1477 70 G 4.3872 8.9453 112.9576 44.9859 0.0000 169.8238 71 I 4.9201 8.2436 123.0341 59.5471 39.3694 174.1983 72 N 5.0551 10.4613 125.8957 52.2766 39.5095 172.1407 73 G 4.1493 10.3217 121.1570 45.3656 0.0000 171.1751 74 A 3.8012 8.4390 128.4247 53.1570 17.2416 179.2389 75 A 4.1541 7.5956 115.8026 53.5913 18.7879 179.2927 76 A 3.9915 8.0077 118.2138 54.6883 18.7142 177.3237 77 H 4.6715 8.3301 113.0016 55.6385 30.4608 173.7242 78 L 3.7259 8.2667 120.0611 55.7808 40.3178 174.5552 79 V 4.3862 7.3060 117.4281 61.4715 32.8988 174.7450 80 H 5.0817 8.4521 122.0453 53.0979 32.8499 171.1901 81 P 4.3962 0.0000 0.0000 63.8991 31.5298 177.4634 82 G 3.9137 8.6114 108.1469 45.9741 0.0000 173.1103 83 D 4.9800 7.5628 120.1512 52.9099 42.8266 175.6992 84 L 4.7082 9.7450 124.9706 54.5766 42.6529 176.5629 85 V 4.9532 8.6484 116.8214 59.5952 36.2652 174.4326 86 I 4.7856 8.7325 120.9402 59.7739 41.3166 174.8839 87 L 5.3364 8.4199 125.1710 53.1893 44.5498 175.6514 88 I 5.0011 8.6881 122.4999 59.5481 42.0037 174.1483 89 A 4.8287 8.7814 127.4955 50.6603 21.4914 174.8004 90 Y 4.8822 9.0100 124.1937 59.3004 39.7606 174.4100 91 A 5.1776 8.3137 129.9065 52.9688 21.7395 176.8865 92 T 4.5538 8.5401 113.7656 62.3479 70.0559 173.6930 93 M 4.8665 9.2767 122.2886 53.8202 37.4456 173.8901 94 D 4.8094 8.6124 120.0364 53.9990 42.0151 176.6011 95 D 4.3411 8.7045 125.3666 57.6593 41.3470 178.7991 96 A 4.0967 7.8583 120.3915 55.1498 17.4705 179.5455 97 R 3.7936 7.9773 115.1356 59.0952 29.9230 178.7150 98 A 4.0346 7.9048 119.9726 55.9834 18.3934 179.2794 99 R 4.1030 7.6687 114.1891 57.9650 30.2265 176.9521 100 T 4.4187 7.0480 110.3548 60.7870 69.4423 173.8550 101 Y 4.7618 8.1639 123.6645 56.9450 41.6206 173.1929 102 Q 4.2652 8.8707 126.8842 53.6352 29.0055 173.5418 103 P 3.8857 0.0000 0.0000 62.1681 32.3853 177.6923 104 R 4.0392 8.4690 123.8147 56.4842 29.3408 174.3515 105 I 4.5338 7.7405 123.6577 59.5218 39.0544 175.2295 106 V 4.0095 8.5987 127.5291 60.8719 33.2148 174.8525 107 F 5.1743 8.0344 126.8979 57.5157 39.7893 175.1478 108 V 4.6510 7.9022 119.7851 59.9316 34.3027 174.6662 109 D 4.5180 8.6858 119.8546 53.3527 41.8558 176.8888 110 A 4.2347 8.3371 125.8771 54.3086 18.3405 177.7911 111 Y 4.8705 8.1949 112.1291 56.9602 38.8728 173.8353 112 N 4.2571 9.7742 121.9149 53.4182 35.4761 173.0473 113 K 4.4890 8.2433 120.9156 57.5126 38.5537 175.3970 *114 P 4.2215 0.0000 0.0000 62.2704 31.3818 178.2825 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 M 8.16 4.50 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 L 8.46 4.94 0.00 1.60 1.63 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.93 4.69 0.00 1.80 1.84 0.00 3.13 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 4 T 8.37 4.96 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 1.19 0.00 0.00 5 M 9.06 5.06 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 6 L 8.68 3.55 0.00 1.41 1.52 0.64 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.61 4.38 0.00 2.02 2.12 0.00 1.83 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 8 S 8.08 4.97 0.00 3.92 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 9 K 8.34 5.00 0.00 1.74 1.54 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.33 7.81 10 I 8.34 4.59 1.87 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 1.21 1.18 0.92 0.00 0.00 11 H 9.37 4.63 0.00 3.32 3.54 0.00 5.89 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.58 4.35 0.00 1.92 1.96 0.00 3.14 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 0.00 13 A 7.50 4.45 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 14 T 8.52 4.85 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 1.24 0.00 0.00 15 V 8.62 3.48 2.22 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 1.05 0.00 0.00 1.01 0.00 0.00 16 T 8.65 3.99 4.40 0.00 0.00 0.00 0.00 0.00 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 17 C 7.24 5.13 0.00 2.95 3.04 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 18 A 8.04 4.67 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 19 D 8.42 4.56 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.98 4.11 0.00 1.86 1.74 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.45 4.75 0.00 3.20 3.32 0.00 6.08 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.45 3.31 0.00 3.15 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 23 V 7.22 4.42 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 0.96 0.00 0.00 0.89 0.00 0.00 24 G 8.80 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 25 S 8.12 3.14 0.00 3.61 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 26 V 5.45 5.37 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 1.02 0.00 0.00 0.84 0.00 0.00 27 T 8.49 5.05 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 1.31 0.00 0.00 28 I 8.94 4.82 1.87 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 1.10 0.89 0.91 0.00 0.00 29 D 8.75 4.59 0.00 2.86 2.58 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 0.00 30 A 8.70 3.99 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 D 8.60 4.35 0.00 2.82 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 32 L 8.27 4.01 0.00 1.85 1.71 0.93 1.17 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 33 M 7.98 4.15 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 34 D 8.16 4.30 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 3.86 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 36 A 8.41 4.15 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 37 D 7.87 4.31 0.00 2.73 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 38 L 9.25 4.95 0.00 1.57 1.50 0.91 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.92 4.61 0.00 1.61 1.59 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.78 3.83 0.00 1.96 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 2.36 2.41 0.00 41 G 10.78 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 42 E 8.22 4.68 0.00 2.25 1.79 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 2.25 2.27 0.00 43 Q 9.16 4.54 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.50 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 44 V 11.05 4.74 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 0.89 0.00 0.00 1.04 0.00 0.00 45 T 9.08 5.17 4.48 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 1.34 0.00 0.00 46 I 8.68 5.23 1.87 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 1.22 0.79 0.91 0.00 0.00 47 V 8.61 4.85 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 0.76 0.00 0.00 0.99 0.00 0.00 48 D 8.75 4.91 0.00 2.77 2.74 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 0.00 0.00 0.00 49 I 8.96 3.74 2.01 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 1.23 0.53 0.91 0.00 0.00 50 D 8.39 4.55 0.00 2.77 2.74 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 0.00 0.00 0.00 51 N 8.48 4.96 0.00 2.77 2.83 0.00 0.00 7.11 6.47 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 52 G 8.42 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 53 A 7.60 4.37 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 54 R 8.13 5.55 0.00 1.66 1.82 0.00 3.21 0.00 0.00 3.90 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 55 L 8.64 4.95 0.00 1.54 1.50 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.19 4.77 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 0.81 0.00 0.00 0.94 0.00 0.00 57 T 9.14 4.77 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 58 Y 8.89 5.52 0.00 3.08 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 59 A 8.65 5.01 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 60 I 9.19 4.75 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.08 0.97 0.00 0.00 61 T 8.51 4.21 4.36 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 1.23 0.00 0.00 62 G 9.94 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 63 E 8.50 4.44 0.00 2.07 1.82 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 2.37 2.34 0.00 64 R 8.66 4.42 0.00 1.81 1.98 0.00 3.34 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.64 0.00 65 G 9.23 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.80 4.12 0.00 3.93 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 67 G 8.47 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 68 V 7.56 3.71 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 1.01 0.00 0.00 0.93 0.00 0.00 69 I 8.51 4.70 2.02 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 1.17 0.80 0.91 0.00 0.00 70 G 8.95 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 71 I 8.24 4.92 1.87 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 1.32 1.35 0.92 0.00 0.00 72 N 10.46 5.06 0.00 2.66 3.00 0.00 0.00 6.99 7.53 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 73 G 10.32 4.15 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 0.00 0.00 0.00 74 A 8.44 3.80 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 75 A 7.60 4.15 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 76 A 8.01 3.99 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 77 H 8.33 4.67 0.00 3.13 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.27 3.73 0.00 1.76 1.71 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.31 4.39 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 0.76 0.00 0.00 0.90 0.00 0.00 80 H 8.45 5.08 0.00 3.44 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.40 0.00 2.05 2.00 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 82 G 8.61 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 83 D 7.56 4.98 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.74 4.71 0.00 1.56 1.59 0.91 0.61 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 85 V 8.65 4.95 2.13 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 0.97 0.00 0.00 0.93 0.00 0.00 86 I 8.73 4.79 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.95 0.00 0.00 87 L 8.42 5.34 0.00 1.54 1.53 0.92 1.08 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 88 I 8.69 5.00 1.90 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 1.12 0.79 0.48 0.00 0.00 89 A 8.78 4.83 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 90 Y 9.01 4.88 0.00 2.98 3.03 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 91 A 8.31 5.18 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 92 T 8.54 4.55 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 1.23 0.00 0.00 93 M 9.28 4.87 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.46 0.00 94 D 8.61 4.81 0.00 2.73 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 95 D 8.70 4.34 0.00 2.89 2.72 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 96 A 7.86 4.10 1.39 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 97 R 7.98 3.79 0.00 1.68 1.81 0.00 3.23 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 98 A 7.90 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.10 0.00 1.90 1.99 0.00 3.16 0.00 0.00 3.29 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 100 T 7.05 4.42 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 1.23 0.00 0.00 101 Y 8.16 4.76 0.00 3.00 2.81 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 0.00 102 Q 8.87 4.27 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 103 P 0.00 3.89 0.00 1.73 1.89 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 104 R 8.47 4.04 0.00 1.67 1.81 0.00 3.34 0.00 0.00 3.13 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 105 I 7.74 4.53 1.56 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.53 0.00 0.00 106 V 8.60 4.01 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 0.97 0.00 0.00 0.85 0.00 0.00 107 F 8.03 5.17 0.00 3.02 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 0.00 108 V 7.90 4.65 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 0.77 0.00 0.00 0.97 0.00 0.00 109 D 8.69 4.52 0.00 2.71 2.72 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 0.00 110 A 8.34 4.23 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.19 4.87 0.00 2.97 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 0.00 112 N 9.77 4.26 0.00 2.94 2.93 0.00 0.00 6.68 7.49 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 0.00 113 K 8.24 4.49 0.00 1.72 1.80 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.52 7.81 *114 P 0.00 4.22 0.00 1.83 1.86 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.