NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5275 8.1627 120.7153 54.4022 34.7470 174.0273 2 K 4.8920 8.1829 120.1671 53.7066 33.8914 171.4342 3 E 4.9379 9.1768 125.9347 54.0700 33.4123 175.0234 4 V 4.3591 8.5395 122.4185 61.6587 32.6932 175.1843 5 I 4.6431 8.5652 124.7729 59.8440 39.2144 175.1368 6 F 5.0608 8.5232 127.4286 57.2858 42.3696 173.3736 7 T 4.3276 8.6137 120.0814 60.0034 70.2342 174.4149 8 E 3.8672 8.4393 127.0217 58.7026 29.6843 177.5650 9 N 4.4800 7.7639 114.6603 54.0617 38.7448 174.4214 10 A 4.7465 7.2029 120.3064 48.8973 22.3220 174.1079 11 P 4.2297 0.0000 0.0000 62.9063 31.7923 176.9243 12 K 4.1534 8.5213 122.8294 55.4847 32.6097 174.9273 13 P 4.0829 0.0000 0.0000 62.4333 31.2739 176.1544 14 I 4.1058 9.4292 125.7258 63.2736 36.7452 174.8975 15 G 4.0495 8.3830 112.4463 42.9053 0.0000 170.1112 16 P 4.6863 0.0000 0.0000 61.7218 30.4496 174.3743 17 Y 4.9063 7.4648 114.2969 56.9074 41.3379 174.1094 18 S 4.7214 8.2401 115.6999 56.4573 66.0318 174.6713 19 Q 4.2331 8.5508 120.3065 59.1537 29.5175 176.2880 20 A 5.0342 7.6704 117.3261 51.0932 22.9110 175.1823 21 I 4.9215 8.7684 120.3486 59.3540 40.9006 174.5542 22 K 5.0563 9.4258 128.1298 54.7912 34.1861 174.6598 23 A 5.0251 9.3913 129.8250 49.7239 21.5796 175.7606 24 G 4.0774 9.5018 113.8780 47.8262 0.0000 174.4282 25 N 4.6649 8.9095 122.2253 53.0851 39.1038 173.9842 26 F 5.2335 8.6342 118.6742 56.0847 41.7963 174.6254 27 L 5.0714 8.6214 123.3991 53.4349 44.7507 175.0495 28 F 4.8320 9.7236 126.3328 56.1052 40.5959 174.8774 29 I 4.8418 8.4088 125.3736 59.3188 38.7396 175.7586 30 A 4.4891 8.9165 129.6392 51.7053 19.2914 177.3655 31 G 3.8067 8.6688 106.7530 46.2995 0.0000 172.8714 32 Q 5.0001 9.2873 124.5422 54.0424 31.2756 174.9593 33 I 4.7615 8.2182 116.5083 57.5822 40.7876 174.4963 34 P 4.6999 0.0000 0.0000 62.9955 28.4243 174.8855 35 I 4.8090 7.3677 121.9292 60.2064 39.7483 176.4229 36 D 4.6228 9.4836 128.0730 52.5866 40.9988 174.9750 37 P 4.4860 0.0000 0.0000 65.7428 31.4271 178.0663 38 K 4.0809 7.8849 116.9812 58.6661 32.0311 177.5650 39 T 4.2465 7.8651 110.9329 61.0945 68.7414 174.9924 40 G 3.9369 9.4628 108.8098 45.8126 0.0000 172.7256 41 E 4.7986 7.6012 117.8019 53.7211 32.9046 175.4900 42 I 5.0369 7.9182 120.6032 60.8743 38.6726 178.4521 43 V 4.0554 7.9440 122.6040 61.3352 30.5826 178.2811 *45 G 3.9113 8.6082 115.0235 45.8978 0.0000 172.1136 46 D 4.6537 7.7138 119.6101 52.2694 41.0567 176.9135 47 I 3.6088 8.5569 120.6197 64.6586 37.2243 177.6478 48 K 3.9334 8.2647 119.4974 59.7504 31.8818 178.1512 49 D 4.4404 8.3401 118.9255 57.2551 41.0762 178.8413 50 Q 4.0387 7.9843 118.1188 59.1305 28.6477 178.4799 51 T 3.9310 8.6214 114.5868 64.8929 67.3562 176.3544 52 R 3.8617 7.6424 120.0667 59.1669 30.1483 178.2110 53 Q 3.9694 8.1208 119.5836 58.9401 29.0308 178.2941 54 V 3.5765 7.6906 119.1428 66.0624 31.6010 178.1181 55 L 3.7798 7.4914 118.7601 57.4348 41.2225 179.1390 56 E 3.9891 7.9793 119.5507 59.1910 29.5672 178.6281 57 N 4.3466 8.1906 116.6983 56.2953 38.5612 177.4859 58 I 3.7385 7.8553 121.3047 64.2628 37.1487 178.4455 59 K 4.0548 8.1662 120.3127 59.0246 31.8920 178.8991 60 A 3.9372 7.8529 121.2690 55.1486 17.8763 179.3842 61 I 3.5845 7.7299 118.1639 64.6827 37.2237 178.3689 62 L 3.9946 8.2283 119.9562 58.1898 41.5644 179.4713 63 E 4.1200 8.4842 118.7030 59.0494 29.3623 178.4899 64 A 4.1230 8.1819 119.7324 53.8986 18.5223 178.2661 65 A 4.6206 7.7449 116.6337 51.7720 19.6932 177.7367 66 G 3.8356 7.9746 105.2131 45.4155 0.0000 172.9974 67 Y 4.6388 7.9632 116.9700 56.0379 40.2901 174.3174 68 S 4.8877 9.3203 115.1566 56.2028 66.1324 175.1159 69 L 4.2017 8.3593 119.1206 57.4756 41.3935 179.0802 70 N 4.7046 7.6999 113.6254 54.9927 38.9432 175.7555 71 D 4.6249 8.2259 118.0818 55.5073 41.5111 176.7361 72 V 4.1635 7.4437 118.9160 63.0309 31.9501 175.2580 73 I 4.5089 8.7691 119.8072 61.0839 40.6085 175.3693 74 K 4.9884 7.7825 123.8316 54.9379 35.7675 174.6941 75 V 4.8398 9.0571 127.4639 61.3279 34.8262 174.0268 76 T 4.9723 9.1109 124.1825 61.6861 71.4439 173.0663 77 V 4.7674 8.8066 126.4802 61.1890 34.5845 173.6702 78 Y 5.0251 9.2588 125.6502 56.4239 40.1574 174.9137 79 L 4.9254 8.8988 124.5473 52.4425 44.8784 176.3066 80 K 4.4165 7.8020 122.4299 56.3030 30.0528 176.7242 81 D 5.1261 8.1336 118.5015 54.0042 37.9121 173.5517 *86 A 4.3080 7.5340 125.7324 52.5785 21.3838 180.1359 87 K 4.1393 7.7036 115.8801 56.8686 32.0375 180.9299 88 M 4.4512 8.0064 113.5725 57.3146 31.7719 177.4476 89 N 4.7123 7.8065 117.4631 54.8811 38.7604 176.8563 90 E 3.9666 7.7464 120.2046 59.4216 30.1080 178.6921 91 V 3.8353 7.8341 117.8360 66.0215 31.6287 176.9196 92 Y 4.0762 7.9356 118.2064 60.9169 38.4909 178.1828 93 A 4.1701 8.5078 121.0629 54.6978 18.2294 179.4471 94 E 3.8728 7.9696 117.0563 59.3479 29.5306 178.4494 95 Y 3.9424 7.7639 115.1652 59.6108 38.5900 176.4257 96 F 4.9161 7.6340 116.6637 57.0950 39.2951 177.9893 97 G 3.7225 7.8055 112.9268 48.1339 0.0000 174.9397 98 E 4.3042 8.1361 119.0622 58.1087 30.5727 176.7551 99 S 4.1539 8.4217 111.4941 60.5131 63.0072 174.2180 100 K 3.8807 8.2358 117.3630 56.8900 29.4766 171.3362 101 P 4.6884 0.0000 0.0000 61.9040 33.8243 177.1115 102 A 4.3457 8.7157 122.0467 51.6162 19.4357 176.7950 103 R 5.0521 8.4859 121.6023 54.4410 33.7992 174.6744 104 V 4.5003 8.4790 122.5311 61.0658 35.0759 174.0681 105 A 4.9792 8.3965 127.9453 50.4711 21.9678 175.3183 106 V 4.5027 8.4896 114.3547 59.6885 37.1234 173.7346 107 E 5.1034 8.6496 121.8680 54.7885 32.3879 174.9254 108 V 4.8287 8.6209 118.8465 59.5739 35.7217 176.2032 109 S 4.2010 9.0441 117.8849 61.6475 63.0918 175.1352 110 R 4.7304 7.4946 117.7582 53.6882 33.4172 175.7585 111 L 4.8743 8.0223 116.8569 52.1701 45.4698 174.4549 112 P 4.3959 0.0000 0.0000 64.4990 31.6054 176.6854 113 K 3.7154 9.2880 118.5509 56.8521 30.0387 174.6646 114 D 4.3190 7.7850 114.4103 55.2323 39.8870 173.3799 115 V 4.0744 7.4045 116.6568 62.1179 33.0490 175.3220 116 L 4.3561 9.0941 122.6939 57.0024 42.5625 177.1902 117 I 4.9878 7.5387 116.0015 59.4357 41.5825 173.9857 118 E 5.0619 9.2322 127.2153 54.7573 33.5688 174.1472 119 I 5.2169 8.7829 125.6961 59.7086 41.8315 174.0456 120 E 5.2153 9.2296 123.7831 54.9145 33.0363 174.6129 121 A 5.1169 8.2367 120.4473 51.0389 23.3310 175.2040 122 I 4.8668 8.9306 120.5389 59.3596 40.6516 174.7883 123 A 5.2675 8.5667 126.6049 50.3232 22.8135 174.2711 124 Y 4.9725 9.1643 120.2416 55.6985 41.8514 175.2035 125 K 3.8274 7.9539 126.8759 56.3800 32.1702 175.5652 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 4.53 0.00 1.73 2.11 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.12 0.00 2 K 8.18 4.89 0.00 1.80 1.75 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.59 7.81 3 E 9.18 4.94 0.00 2.06 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 0.00 2.24 2.29 0.00 4 V 8.54 4.36 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 0.74 0.00 0.00 0.97 0.00 0.00 5 I 8.57 4.64 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.93 0.00 0.00 6 F 8.52 5.06 0.00 2.97 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 7 T 8.61 4.33 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 1.03 0.00 0.00 8 E 8.44 3.87 0.00 1.93 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 2.36 2.32 0.00 9 N 7.76 4.48 0.00 2.67 2.81 0.00 0.00 6.67 7.30 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 10 A 7.20 4.75 1.09 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 11 P 0.00 4.23 0.00 2.07 2.05 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 12 K 8.52 4.15 0.00 1.80 1.84 0.00 1.82 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.67 1.49 7.81 13 P 0.00 4.08 0.00 1.61 1.41 0.00 3.94 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 1.90 1.91 0.00 14 I 9.43 4.11 1.97 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 1.39 0.81 0.96 0.00 0.00 15 G 8.38 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 16 P 0.00 4.69 0.00 2.24 2.16 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 17 Y 7.46 4.91 0.00 3.06 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 18 S 8.24 4.72 0.00 3.88 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 19 Q 8.55 4.23 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 20 A 7.67 5.03 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 21 I 8.77 4.92 1.97 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 1.19 1.01 0.95 0.00 0.00 22 K 9.43 5.06 0.00 1.87 1.88 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.57 7.81 23 A 9.39 5.03 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 24 G 9.50 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 25 N 8.91 4.66 0.00 2.61 2.53 0.00 0.00 6.78 8.13 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 26 F 8.63 5.23 0.00 3.47 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 27 L 8.62 5.07 0.00 0.67 0.84 0.89 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.72 4.83 0.00 3.05 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 29 I 8.41 4.84 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.98 1.01 0.00 0.00 30 A 8.92 4.49 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 0.00 0.00 31 G 8.67 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 32 Q 9.29 5.00 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 33 I 8.22 4.76 1.89 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 1.44 0.67 0.92 0.00 0.00 34 P 0.00 4.70 0.00 2.15 2.48 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 35 I 7.37 4.81 1.89 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 1.25 0.65 0.96 0.00 0.00 36 D 9.48 4.62 0.00 2.67 2.57 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 0.00 0.00 0.00 0.00 37 P 0.00 4.49 0.00 2.18 2.13 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 38 K 7.88 4.08 0.00 1.96 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.52 7.81 39 T 7.87 4.25 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 1.30 0.00 0.00 40 G 9.46 3.94 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 0.00 0.00 0.00 41 E 7.60 4.80 0.00 2.00 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 2.28 2.46 0.00 42 I 7.92 5.04 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.03 0.96 0.00 0.00 43 V 7.94 4.06 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 0.69 0.00 0.00 0.98 0.00 0.00 *45 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 46 D 7.71 4.65 0.00 2.85 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 47 I 8.56 3.61 1.89 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 1.54 1.21 0.93 0.00 0.00 48 K 8.26 3.93 0.00 2.05 1.83 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.58 7.81 49 D 8.34 4.44 0.00 2.97 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 50 Q 7.98 4.04 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 51 T 8.62 3.93 4.32 0.00 0.00 0.00 0.00 0.00 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 52 R 7.64 3.86 0.00 2.14 2.05 0.00 3.20 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 53 Q 8.12 3.97 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 54 V 7.69 3.58 2.07 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 1.04 0.00 0.00 1.04 0.00 0.00 55 L 7.49 3.78 0.00 1.31 0.16 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.98 3.99 0.00 2.29 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 0.00 2.33 2.42 0.00 57 N 8.19 4.35 0.00 2.94 2.83 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 58 I 7.86 3.74 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.99 0.00 0.00 59 K 8.17 4.05 0.00 1.98 1.99 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 60 A 7.85 3.94 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 61 I 7.73 3.58 2.00 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 1.48 1.08 0.90 0.00 0.00 62 L 8.23 3.99 0.00 1.93 1.81 1.07 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.48 4.12 0.00 2.28 1.95 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 2.31 2.34 0.00 64 A 8.18 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 4.62 1.44 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 66 G 7.97 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 0.00 0.00 0.00 67 Y 7.96 4.64 0.00 3.07 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 68 S 9.32 4.89 0.00 3.91 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 69 L 8.36 4.20 0.00 1.73 1.77 0.89 0.55 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 70 N 7.70 4.70 0.00 2.79 2.91 0.00 0.00 6.99 7.94 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 71 D 8.23 4.62 0.00 3.09 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 72 V 7.44 4.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.15 0.00 0.00 73 I 8.77 4.51 1.91 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 1.07 0.00 0.00 74 K 7.78 4.99 0.00 1.78 1.59 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.39 7.81 75 V 9.06 4.84 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 1.05 0.00 0.00 0.45 0.00 0.00 76 T 9.11 4.97 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 0.89 0.00 0.00 77 V 8.81 4.77 1.93 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 0.95 0.00 0.00 0.85 0.00 0.00 78 Y 9.26 5.03 0.00 3.04 2.84 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 79 L 8.90 4.93 0.00 1.58 1.56 0.90 0.76 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 80 K 7.80 4.42 0.00 1.84 1.75 0.00 2.22 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 81 D 8.13 5.13 0.00 2.83 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 *86 A 7.53 4.31 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 87 K 7.70 4.14 0.00 1.70 1.83 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 0.99 7.81 88 M 8.01 4.45 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 89 N 7.81 4.71 0.00 2.98 2.95 0.00 0.00 6.50 7.55 0.00 0.00 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 E 7.75 3.97 0.00 2.04 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 2.37 2.35 0.00 91 V 7.83 3.84 2.19 0.00 0.00 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 0.00 0.00 1.06 0.00 0.00 92 Y 7.94 4.08 0.00 3.48 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 93 A 8.51 4.17 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.87 0.00 2.13 1.80 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 2.31 2.56 0.00 95 Y 7.76 3.94 0.00 2.19 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 0.00 0.00 0.00 96 F 7.63 4.92 0.00 2.77 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.81 3.72 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 0.00 98 E 8.14 4.30 0.00 1.94 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 2.45 2.29 0.00 99 S 8.42 4.15 0.00 4.13 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 0.00 100 K 8.24 3.88 0.00 1.88 1.84 0.00 1.81 0.00 0.00 1.93 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.55 7.81 101 P 0.00 4.69 0.00 1.92 2.11 0.00 3.74 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 1.65 1.20 0.00 102 A 8.72 4.35 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 0.00 103 R 8.49 5.05 0.00 1.72 1.66 0.00 2.52 0.00 0.00 2.58 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.55 0.00 104 V 8.48 4.50 1.95 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 0.77 0.00 0.00 0.86 0.00 0.00 105 A 8.40 4.98 1.03 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 0.00 106 V 8.49 4.50 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 0.56 0.00 0.00 0.84 0.00 0.00 107 E 8.65 5.10 0.00 2.01 1.76 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 2.56 2.30 0.00 108 V 8.62 4.83 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 0.89 0.00 0.00 1.13 0.00 0.00 109 S 9.04 4.20 0.00 3.97 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 0.00 110 R 7.49 4.73 0.00 1.79 1.66 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.00 111 L 8.02 4.87 0.00 1.81 1.53 1.10 1.02 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 0.00 112 P 0.00 4.40 0.00 2.14 1.95 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 113 K 9.29 3.72 0.00 1.87 1.86 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 114 D 7.79 4.32 0.00 2.77 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 0.00 115 V 7.40 4.07 2.17 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 0.97 0.00 0.00 0.98 0.00 0.00 116 L 9.09 4.36 0.00 1.95 1.71 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.54 4.99 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.05 0.94 0.00 0.00 118 E 9.23 5.06 0.00 2.05 1.76 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 2.24 2.41 0.00 119 I 8.78 5.22 1.96 0.00 0.00 1.00 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 0.77 1.09 0.00 0.00 120 E 9.23 5.22 0.00 2.11 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 0.00 2.49 2.34 0.00 121 A 8.24 5.12 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 0.00 122 I 8.93 4.87 1.75 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 0.83 0.68 0.47 0.00 0.00 123 A 8.57 5.27 1.09 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 0.00 124 Y 9.16 4.97 0.00 2.69 2.78 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 0.00 125 K 7.95 3.83 0.00 0.93 0.83 0.00 1.37 0.00 0.00 1.38 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 0.94 7.81 * Residues marked with a * may have inaccurate shift predictions.