NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2146 8.2993 121.7870 55.2382 33.0496 175.4727 6 P 4.3244 0.0000 0.0000 62.4984 32.1063 174.7356 7 R 4.6161 8.7133 119.9495 54.8413 33.1844 178.2052 8 I 2.9536 8.5006 123.8459 64.2344 37.7646 178.0111 9 L 4.0625 7.8013 118.7036 57.5801 41.7032 177.4146 10 P 4.2835 0.0000 0.0000 65.5893 31.2442 178.4302 11 W 4.2200 8.5042 127.1238 60.2704 30.6288 177.8965 12 L 3.8832 8.4215 120.7107 57.9361 41.5932 178.8932 13 V 3.5714 7.9808 118.3497 66.1560 31.2765 178.0076 14 S 4.1354 7.8736 112.3809 61.3478 62.2080 176.1644 15 Q 3.6862 7.6531 120.8092 58.3419 28.0313 178.6137 16 L 3.6668 7.2077 119.3561 57.5028 41.8094 178.6284 17 D 4.8201 8.3869 118.0291 57.5729 40.9177 178.6745 18 L 4.1783 7.9768 119.3658 55.3504 41.2826 178.3831 19 G 4.0161 7.3313 104.5113 46.4372 0.0000 173.1611 20 Q 4.3283 7.6899 118.7925 55.8693 29.1007 175.6668 21 L 4.5196 7.4531 117.0662 51.4887 42.5185 178.6580 22 E 3.9283 8.7839 123.6669 57.1010 29.4797 177.7340 23 G 3.7963 8.9543 111.0332 45.8326 0.0000 172.6882 24 V 4.5893 7.7815 119.4230 61.1254 32.8076 174.7190 25 A 4.6401 8.4509 128.4526 50.1464 23.0816 175.1513 26 W 4.9969 8.6285 120.5388 56.6744 29.7820 176.5375 27 V 4.6317 8.9155 122.6746 61.3184 32.1602 174.1994 28 N 5.1040 8.4598 120.7768 53.4165 42.7015 173.9464 29 K 4.4031 8.5130 118.6516 56.2121 33.4317 175.4002 30 S 4.0627 8.3909 112.2736 58.8889 63.2052 174.8956 31 R 3.2312 7.2884 118.9722 57.8731 26.4891 180.6316 32 T 5.0786 7.5442 107.3389 61.2643 71.6010 175.0636 33 R 5.5154 8.4319 122.8942 54.9856 33.9180 173.6285 34 F 5.6811 9.2679 119.4044 55.7552 41.7171 173.1621 35 R 5.1553 9.1433 117.1468 54.9635 32.4820 175.0800 36 I 5.0590 8.9051 121.1648 59.1611 41.6075 172.7821 37 P 4.8505 0.0000 0.0000 61.9274 32.1594 176.3083 38 W 5.0494 8.8869 134.3822 56.6047 29.3381 175.7894 39 K 4.2053 7.9850 122.5940 54.3495 32.4673 178.3485 40 H 4.3261 8.8533 122.7507 55.3006 28.9149 175.1185 41 G 3.9295 8.5423 119.6954 45.0256 0.0000 172.5114 42 L 4.7542 8.3893 125.7869 53.8645 43.6771 175.3155 43 R 4.0365 8.1874 116.1114 59.5435 30.0069 182.9436 *52 G 3.6231 7.7647 105.3260 44.0623 0.0000 173.4390 53 I 3.7022 7.6234 125.2123 63.3282 38.1066 177.9575 54 F 4.3524 7.0592 118.6146 60.7435 38.8688 177.2464 55 Q 3.1309 8.1079 118.5525 58.4816 28.7603 177.4201 56 A 4.0543 8.1186 122.1403 55.1896 18.4329 179.1934 57 W 3.6811 8.2828 125.6176 60.6800 30.7915 178.1228 58 A 3.7459 7.8105 120.1919 54.7597 17.7108 179.4519 59 E 4.1668 8.3997 118.5540 58.6351 29.5085 178.9459 60 A 3.9736 7.9719 120.3515 54.6252 18.4159 178.7240 61 T 3.9392 6.9672 105.1732 61.1556 69.5419 175.9444 62 G 3.7999 7.7035 109.9602 45.1917 0.0000 174.3421 63 A 4.0563 7.3082 122.6877 54.5705 18.5727 177.4689 64 Y 4.8076 8.2253 116.7703 55.6958 40.9133 174.1371 65 V 3.8755 8.0930 127.5760 59.7149 32.5197 172.9874 66 P 4.0853 0.0000 0.0000 63.2023 31.4544 174.8295 67 G 4.1064 9.0214 115.0870 46.3786 0.0000 175.0820 68 R 4.0489 7.4631 119.0050 57.7499 30.3544 175.9050 69 D 5.0060 7.6670 117.8488 52.4903 44.6723 175.7657 70 K 4.3278 8.6224 123.3719 53.6137 32.4217 176.2592 71 P 4.4503 0.0000 0.0000 62.0273 32.5899 176.7334 72 D 4.2199 6.0928 120.1162 51.4277 41.6255 175.2555 73 L 3.3083 6.7891 124.2236 57.1127 42.4245 176.1014 74 P 4.0635 0.0000 0.0000 65.7249 31.2494 178.4033 75 T 3.8148 7.7268 113.8882 66.6297 68.4177 176.2976 76 W 4.4410 7.6532 120.4685 59.8525 29.0749 178.5581 77 K 2.9842 7.9499 119.1670 59.2093 31.4507 178.8457 78 R 3.8837 8.1729 118.6191 59.3907 29.9442 178.4294 79 N 4.3677 9.0918 116.4524 56.6058 38.8139 177.2966 80 F 3.9272 8.5188 121.5574 61.4293 39.6631 176.9844 81 R 4.2281 8.7308 118.7322 59.8839 29.5706 178.6322 82 S 4.1619 8.3562 114.2075 61.1718 63.1739 175.9059 83 A 4.0686 8.1631 123.8391 55.5012 18.0312 179.7760 84 L 3.7187 7.3858 116.6817 57.8112 41.3604 179.3443 85 N 4.3401 7.9528 115.7623 56.3304 38.5745 176.7588 86 R 4.3595 7.6911 116.8885 55.8051 30.6155 176.6438 87 K 4.1892 7.3754 121.7953 56.0315 32.4730 177.5232 88 E 4.1172 8.6703 120.6057 56.9240 30.0231 173.1108 89 G 4.1778 9.0273 108.3008 45.6106 0.0000 172.6524 90 L 4.9116 7.7614 119.4679 52.7658 45.1972 175.3540 91 R 4.6861 8.6767 125.0264 54.2510 33.8462 173.7763 92 L 3.7849 8.4981 127.5781 54.7859 41.7541 175.9092 93 A 4.4089 9.0579 132.3844 53.8656 20.5042 177.7211 94 E 4.3693 7.4902 111.7171 55.8342 34.2486 178.8274 95 D 4.7418 8.8673 128.2370 51.8956 41.7004 176.7140 96 R 4.7814 8.1319 130.8634 56.1561 30.1739 176.1780 97 S 4.3934 8.5497 118.9103 61.2498 63.4919 175.4542 98 K 4.4595 7.8596 123.3017 54.7041 32.0706 181.9404 99 D 4.6192 7.7944 119.4228 53.4251 40.2600 180.3663 100 P 4.4840 0.0000 0.0000 64.5490 31.1978 176.7136 101 H 4.5548 7.2397 114.7118 56.4478 29.7659 175.4692 102 D 4.8540 7.4933 121.7569 51.3406 40.6129 172.3872 103 P 4.7566 0.0000 0.0000 62.9334 32.7777 175.0118 104 H 5.5106 9.1837 119.3716 54.8472 32.4229 172.6253 105 K 4.9043 9.5368 118.3011 54.6460 36.2449 175.3125 106 I 4.7564 8.5870 124.2609 59.9200 39.5116 174.7911 107 Y 4.7288 8.3681 124.4877 56.2786 41.5987 174.5755 108 E 5.1195 9.0170 121.5262 55.0669 33.2921 174.1020 109 F 4.9707 9.8281 127.5663 57.7783 39.7193 176.0189 110 V 4.2132 8.4824 115.7408 61.4981 32.1987 175.6621 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 K 8.30 4.21 0.00 1.70 1.79 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.31 7.81 6 P 0.00 4.32 0.00 2.52 2.24 0.00 3.69 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 1.71 2.05 0.00 7 R 8.71 4.62 0.00 2.03 1.98 0.00 3.27 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 8 I 8.50 2.95 1.28 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.36 0.65 0.00 0.00 9 L 7.80 4.06 0.00 1.83 1.91 1.14 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.28 0.00 2.28 2.18 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 2.20 2.21 0.00 11 W 8.50 4.22 0.00 3.69 3.50 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 12 L 8.42 3.88 0.00 2.16 1.95 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.98 3.57 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 1.03 0.00 0.00 0.87 0.00 0.00 14 S 7.87 4.14 0.00 3.95 3.77 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 15 Q 7.65 3.69 0.00 1.81 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 16 L 7.21 3.67 0.00 1.24 0.20 -0.57 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.39 4.82 0.00 2.75 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 18 L 7.98 4.18 0.00 1.72 1.63 0.83 1.30 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 19 G 7.33 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 0.00 0.00 0.00 20 Q 7.69 4.33 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 21 L 7.45 4.52 0.00 1.58 1.52 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.78 3.93 0.00 1.90 1.97 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 2.31 2.28 0.00 23 G 8.95 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 0.00 0.00 0.00 24 V 7.78 4.59 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 0.64 0.00 0.00 0.82 0.00 0.00 25 A 8.45 4.64 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 26 W 8.63 5.00 0.00 3.25 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 V 8.92 4.63 2.20 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 0.79 0.00 0.00 0.98 0.00 0.00 28 N 8.46 5.10 0.00 2.96 2.85 0.00 0.00 6.87 6.68 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 29 K 8.51 4.40 0.00 1.70 1.76 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 0.96 7.81 30 S 8.39 4.06 0.00 3.93 3.98 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 31 R 7.29 3.23 0.00 1.94 1.82 0.00 3.21 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 32 T 7.54 5.08 4.60 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 1.26 0.00 0.00 33 R 8.43 5.52 0.00 2.04 1.95 0.00 3.25 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 34 F 9.27 5.68 0.00 3.13 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 35 R 9.14 5.16 0.00 1.90 2.10 0.00 2.73 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 36 I 8.91 5.06 2.45 0.00 0.00 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 1.50 1.06 1.02 0.00 0.00 37 P 0.00 4.85 0.00 2.12 2.11 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 38 W 8.89 5.05 0.00 3.51 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 39 K 7.99 4.21 0.00 1.82 1.58 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 0.99 7.81 40 H 8.85 4.33 0.00 3.18 3.29 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.54 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 42 L 8.39 4.75 0.00 1.61 1.49 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.19 4.04 0.00 1.82 1.86 0.00 3.26 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 *52 G 7.76 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 53 I 7.62 3.70 1.53 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.23 -0.12 0.00 0.00 54 F 7.06 4.35 0.00 3.16 3.17 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 0.00 0.00 0.00 0.00 55 Q 8.11 3.13 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 1.99 1.16 0.00 56 A 8.12 4.05 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 0.00 0.00 0.00 0.00 0.00 57 W 8.28 3.68 0.00 3.35 3.41 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 58 A 7.81 3.75 0.92 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 0.00 0.00 59 E 8.40 4.17 0.00 2.07 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 2.46 2.23 0.00 60 A 7.97 3.97 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 61 T 6.97 3.94 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 -0.27 0.00 0.00 62 G 7.70 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 0.00 0.00 0.00 63 A 7.31 4.06 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 64 Y 8.23 4.81 0.00 3.04 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.88 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 0.80 0.00 0.00 0.81 0.00 0.00 66 P 0.00 4.09 0.00 2.18 2.14 0.00 3.11 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 1.88 2.02 0.00 67 G 9.02 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 68 R 7.46 4.05 0.00 1.72 1.87 0.00 3.18 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 69 D 7.67 5.01 0.00 2.83 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 70 K 8.62 4.33 0.00 1.78 1.60 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 71 P 0.00 4.45 0.00 1.93 2.13 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.27 0.00 72 D 6.09 4.22 0.00 2.40 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 0.00 0.00 0.00 73 L 6.79 3.31 0.00 1.27 1.28 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.06 0.00 2.05 1.96 0.00 3.46 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 75 T 7.73 3.81 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 1.27 0.00 0.00 76 W 7.65 4.44 0.00 3.44 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 77 K 7.95 2.98 0.00 1.54 1.65 0.00 1.22 0.00 0.00 1.34 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 0.21 7.81 78 R 8.17 3.88 0.00 2.08 1.97 0.00 3.16 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 79 N 9.09 4.37 0.00 3.00 3.11 0.00 0.00 6.79 8.26 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 80 F 8.52 3.93 0.00 3.56 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 81 R 8.73 4.23 0.00 2.37 2.12 0.00 3.24 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 82 S 8.36 4.16 0.00 3.90 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 83 A 8.16 4.07 1.07 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 84 L 7.39 3.72 0.00 1.55 1.48 0.57 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.95 4.34 0.00 2.93 2.91 0.00 0.00 7.04 7.23 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 86 R 7.69 4.36 0.00 1.89 1.97 0.00 3.16 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 87 K 7.38 4.19 0.00 1.69 1.77 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.46 7.81 88 E 8.67 4.12 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 89 G 9.03 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 90 L 7.76 4.91 0.00 1.42 1.44 0.22 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.68 4.69 0.00 1.90 1.70 0.00 3.12 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 92 L 8.50 3.78 0.00 1.12 1.28 -0.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 93 A 9.06 4.41 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.49 4.37 0.00 1.63 1.77 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 2.20 1.85 0.00 95 D 8.87 4.74 0.00 2.40 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 4.78 0.00 1.53 1.84 0.00 3.32 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 97 S 8.55 4.39 0.00 4.28 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 98 K 7.86 4.46 0.00 1.77 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 0.97 7.81 99 D 7.79 4.62 0.00 2.60 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 0.00 100 P 0.00 4.48 0.00 1.94 2.09 0.00 3.66 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 2.04 2.11 0.00 101 H 7.24 4.55 0.00 3.30 3.32 0.00 5.80 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.49 4.85 0.00 2.64 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 0.00 103 P 0.00 4.76 0.00 2.23 2.26 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 104 H 9.18 5.51 0.00 3.22 3.60 0.00 5.20 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 0.00 105 K 9.54 4.90 0.00 1.54 1.22 0.00 0.61 0.00 0.00 0.70 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.85 7.81 106 I 8.59 4.76 1.81 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 1.22 1.06 0.82 0.00 0.00 107 Y 8.37 4.73 0.00 1.43 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 0.00 0.00 0.00 0.00 108 E 9.02 5.12 0.00 2.00 1.75 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 2.31 2.53 0.00 109 F 9.83 4.97 0.00 3.31 3.09 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 0.00 110 V 8.48 4.21 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 0.77 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.