NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3577 0.0000 0.0000 62.4002 32.7041 176.1031 6 T 3.8128 8.4306 113.5363 61.2579 69.2626 173.3147 7 I 3.6493 8.6780 123.2355 64.8231 37.9301 179.3702 8 N 3.7009 8.2693 116.8764 56.5678 38.6252 176.0993 9 Q 4.2531 8.0619 118.6304 57.6142 28.8591 178.1101 10 L 4.0156 8.7039 121.8101 57.6443 41.7196 179.1616 11 V 3.3254 7.7706 116.2059 66.0305 31.4017 177.9224 12 R 4.0518 7.5189 115.4859 58.9099 30.1531 178.3592 13 K 4.4641 8.0139 114.9670 54.2894 33.8385 177.3616 14 G 3.8982 8.4646 110.6676 44.6417 0.0000 173.0214 15 R 4.1838 8.1493 116.8576 55.3788 30.8705 176.1112 16 E 4.2484 8.4663 122.4283 54.8203 30.2419 176.2153 17 K 4.2646 8.3703 127.3394 55.6229 32.8465 175.9084 18 V 3.5110 7.6690 115.9000 58.5969 31.5982 172.7619 19 R 3.9535 8.4146 129.7927 55.7070 31.8643 175.8884 20 K 4.5656 8.2203 122.1857 55.0406 35.4081 176.1360 21 K 4.1630 8.5351 121.9300 56.4539 32.9134 175.5219 22 S 4.6082 8.2735 113.9141 56.6141 62.9978 174.5119 23 K 3.9891 8.5836 128.8571 58.2025 32.1154 176.7416 24 V 3.8978 7.2846 118.1241 62.3878 33.8429 172.5170 25 P 4.6479 0.0000 0.0000 62.0347 30.4277 176.7887 26 A 4.1172 7.7644 116.8438 53.0531 18.9139 178.2726 27 L 3.4960 6.9845 117.8976 55.0255 41.6813 175.8440 28 K 4.3402 9.0505 117.2547 61.3794 28.5845 175.3992 29 G 3.8924 7.7631 102.8120 46.3190 0.0000 173.7499 30 A 4.1786 8.1321 123.5268 50.6448 18.6140 175.9724 31 P 3.9978 0.0000 0.0000 62.9480 31.9779 179.3955 32 F 5.4129 6.8215 122.7594 58.0168 43.1038 173.9889 33 R 4.3990 8.1629 114.8971 56.1707 34.1214 175.0139 34 R 4.5630 8.4261 127.4401 57.3157 31.6997 175.0975 35 G 4.2403 8.7747 108.5274 45.3341 0.0000 172.2114 36 V 4.6198 8.2316 122.2045 61.1574 33.2319 174.9620 37 C 4.6032 8.6270 126.6740 60.7765 28.3253 174.1249 38 T 4.4718 8.8603 118.8690 61.6462 68.6464 174.6384 39 V 4.3347 7.5173 120.4184 61.7316 35.0219 173.4588 40 V 4.1460 8.0632 127.5965 61.4722 30.2771 174.6550 41 R 4.3645 7.8904 122.9753 55.9063 32.2046 175.0570 42 T 4.8304 8.2248 111.8882 60.8180 70.8461 174.1174 43 V 4.5701 8.4771 119.6916 59.7977 36.3538 174.4684 44 T 4.5077 8.4415 119.6502 60.9192 68.0681 172.9162 45 P 4.5645 0.0000 0.0000 61.1107 32.6785 176.9313 46 K 4.6063 8.2334 128.9925 56.3964 30.5130 178.0617 47 K 4.1312 8.4407 118.6722 55.4233 32.7382 175.1710 48 P 4.2664 0.0000 0.0000 65.2961 31.8122 176.7034 49 N 5.0159 7.4842 113.0217 51.2686 40.6813 173.9973 50 S 4.6012 8.8009 113.8349 55.8286 65.9402 173.8017 51 A 4.3220 7.2065 124.9163 52.7762 22.6561 175.0303 52 L 5.1062 7.8215 113.0740 52.3291 41.8202 175.4840 53 R 4.0290 8.5260 120.0133 56.5166 31.7443 176.0110 54 K 4.3733 9.1934 124.1199 56.0697 32.9799 176.2782 55 V 5.0745 8.3944 123.8699 59.8779 35.5362 174.2300 56 A 4.9748 8.8197 121.5447 50.6131 23.1482 175.0407 57 K 4.8652 9.0025 120.0888 54.9396 34.3172 175.9826 58 V 4.7567 8.3047 123.8797 61.1012 35.2633 174.5281 59 R 5.0132 8.3702 127.2491 53.6934 30.6735 175.4327 60 L 4.7430 8.3352 126.5067 54.5321 42.7886 178.5204 61 T 4.0559 8.3239 111.6474 63.5852 69.2164 174.7721 62 S 4.5136 7.7893 119.3540 60.3523 62.9905 174.5630 63 G 4.2365 7.9471 103.4260 47.4818 0.0000 172.5056 64 Y 4.5227 7.5214 118.6873 56.6725 40.1237 174.3102 65 E 5.5107 7.7912 114.7651 56.8693 30.9605 174.9237 66 V 4.6158 7.4882 118.8429 59.4291 36.4674 174.9202 67 T 4.5612 8.4645 118.4174 63.3119 69.5393 174.4145 68 A 4.9876 8.8477 126.8194 50.2682 22.7394 174.8305 69 Y 4.7184 8.6861 123.4840 57.5818 40.4108 174.1207 70 I 4.3304 7.9505 126.3540 59.0969 38.7423 174.3626 71 P 4.0019 0.0000 0.0000 61.5885 32.5839 176.3031 72 G 3.4784 7.5591 109.9360 44.7417 0.0000 172.5074 73 E 4.1722 8.4307 118.2062 55.9585 29.9609 177.8190 74 G 4.0050 9.2795 109.9119 45.4047 0.0000 171.3243 75 H 4.3722 7.4916 112.6844 55.4543 30.5045 174.2059 76 N 4.8703 8.6335 116.8984 51.7916 36.5447 174.4141 77 L 4.6613 7.5203 117.4286 53.7135 44.6803 176.8656 78 Q 4.5387 8.1436 121.5208 53.8009 30.8428 176.0472 79 E 4.2030 8.3270 116.7012 57.9674 29.3223 177.1226 80 H 5.4632 7.5673 113.0200 55.5605 28.6997 173.4697 81 S 4.6784 8.2564 115.6393 58.2675 64.8611 174.5547 82 V 4.1116 8.4506 124.5506 63.6035 32.9816 174.5150 83 V 4.7073 8.7954 124.1125 61.6340 36.1089 172.7213 84 L 4.7580 8.0662 123.6425 53.0275 45.2342 174.6389 85 I 4.8315 8.0486 126.5357 59.2395 39.2783 173.6790 86 R 5.0040 9.8630 133.6334 55.2027 30.3149 177.2702 87 G 4.3499 8.5871 96.5334 45.6977 0.0000 172.1854 88 G 4.4572 8.1747 107.4952 43.8766 0.0000 173.4360 89 R 4.9463 8.5994 120.7247 53.9713 31.2638 177.2084 90 V 4.2066 7.7534 121.0827 60.8453 30.5973 173.8590 91 K 4.0903 7.3560 125.9132 54.4245 32.5550 174.5267 92 D 5.0999 7.4213 123.6145 53.6411 43.6567 175.2835 93 L 5.0154 7.6556 116.5082 52.4914 46.6337 177.1084 94 P 4.7065 0.0000 0.0000 61.4060 31.1014 178.6501 95 G 4.0687 8.7152 109.8970 47.3476 0.0000 173.0392 96 V 4.7608 7.1322 115.4794 62.3764 32.7280 176.6440 97 R 4.0567 8.2485 118.5597 58.0679 30.7455 176.1675 98 Y 5.3293 8.0503 114.9010 55.5333 41.6638 174.2180 99 H 5.2092 8.8252 117.6024 54.2193 31.9260 174.1721 100 I 4.1016 8.0966 122.2450 60.9832 38.4304 175.8496 101 V 4.1427 8.2105 124.9127 60.8759 32.5295 175.8316 102 R 3.8303 8.4601 127.8333 57.8897 30.4119 177.2331 103 G 3.9387 9.0378 110.0956 45.2775 0.0000 173.1178 104 V 4.3506 6.7437 116.2609 61.8615 34.1810 176.6069 105 Y 3.7207 8.9181 123.4978 57.9620 36.8132 169.7106 106 D 4.2988 7.8325 117.6989 58.3203 41.2449 176.7622 107 A 4.1589 7.7794 119.3891 51.8353 18.6746 177.3514 108 A 4.1354 9.9774 125.4097 52.2478 19.8531 177.0624 109 G 4.2600 8.4600 109.4413 46.2463 0.0000 176.4342 110 V 4.3860 8.2942 126.1019 60.7451 34.3288 174.7501 111 K 4.1427 8.4751 128.1362 57.3591 32.8409 177.1201 112 D 4.7217 8.7342 121.7338 54.3881 38.6579 174.6477 113 R 4.3268 7.2565 118.4140 56.1062 30.8276 175.8559 114 K 4.6640 8.3467 118.8751 57.6881 37.6139 177.9733 115 K 4.6266 7.6341 124.7027 55.3391 30.6964 178.7984 116 S 4.1186 8.7290 125.0959 60.2015 61.9308 174.2085 117 R 4.2088 8.3782 122.9204 58.8167 30.7674 178.4993 118 S 3.9784 7.7679 110.6519 60.7869 62.5434 174.1714 119 K 4.1917 7.8911 120.2507 59.1472 31.1694 173.9492 120 Y 4.3898 9.8928 121.8269 57.6854 38.5457 171.6272 121 G 3.5937 7.6682 115.1049 46.1868 0.0000 178.8281 122 T 3.3124 8.4484 118.4179 61.7131 65.0659 171.6248 123 K 4.1797 8.1941 131.5503 55.5923 33.0721 176.9280 124 K 4.0483 8.3354 121.2093 55.3160 30.7445 174.3124 125 P 4.2024 0.0000 0.0000 62.4052 31.3389 176.2676 126 K 3.7804 8.6730 123.7958 56.5251 32.2871 176.8197 127 E 3.8814 9.1040 125.6010 57.6469 29.8223 176.5882 128 A 3.5583 7.4935 120.2266 52.8893 16.7689 176.8169 *129 A 4.1172 7.9397 127.1427 53.3428 18.9464 177.3334 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 P 0.00 4.36 0.00 2.19 2.14 0.00 3.76 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 1.88 1.96 0.00 6 T 8.43 3.81 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 1.21 0.00 0.00 7 I 8.68 3.65 1.87 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 1.52 0.69 0.91 0.00 0.00 8 N 8.27 3.70 0.00 2.75 2.83 0.00 0.00 7.11 7.07 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 9 Q 8.06 4.25 0.00 2.45 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 10 L 8.70 4.02 0.00 1.76 1.70 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.77 3.33 2.08 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 0.87 0.00 0.00 0.93 0.00 0.00 12 R 7.52 4.05 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 13 K 8.01 4.46 0.00 1.85 1.83 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.41 7.81 14 G 8.46 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 0.00 0.00 0.00 15 R 8.15 4.18 0.00 1.81 1.86 0.00 3.36 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 16 E 8.47 4.25 0.00 1.90 1.85 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 2.25 2.35 0.00 17 K 8.37 4.26 0.00 1.75 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.67 3.51 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 8.41 3.95 0.00 1.94 1.92 0.00 3.22 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 20 K 8.22 4.57 0.00 1.84 1.71 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.40 7.81 21 K 8.54 4.16 0.00 1.77 1.84 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 S 8.27 4.61 0.00 3.85 3.75 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 23 K 8.58 3.99 0.00 1.72 1.76 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.40 7.81 24 V 7.28 3.90 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 0.47 0.00 0.00 0.75 0.00 0.00 25 P 0.00 4.65 0.00 2.61 2.40 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.26 0.00 26 A 7.76 4.12 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 27 L 6.98 3.50 0.00 1.66 1.62 0.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.05 4.34 0.00 1.79 2.12 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.42 7.81 29 G 7.76 3.89 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 0.00 0.00 0.00 30 A 8.13 4.18 1.31 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 0.00 0.00 0.00 31 P 0.00 4.00 0.00 1.60 1.41 0.00 3.55 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 32 F 6.82 5.41 0.00 2.94 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 33 R 8.16 4.40 0.00 1.92 1.78 0.00 3.24 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 34 R 8.43 4.56 0.00 2.27 1.94 0.00 3.36 0.00 0.00 3.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.23 0.00 35 G 8.77 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 36 V 8.23 4.62 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 0.97 0.00 0.00 1.02 0.00 0.00 37 C 8.63 4.60 0.00 3.17 2.99 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 38 T 8.86 4.47 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 1.37 0.00 0.00 39 V 7.52 4.33 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 40 V 8.06 4.15 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 0.90 0.00 0.00 0.94 0.00 0.00 41 R 7.89 4.36 0.00 2.00 1.87 0.00 3.44 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 42 T 8.22 4.83 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 43 V 8.48 4.57 2.08 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 0.73 0.00 0.00 1.01 0.00 0.00 44 T 8.44 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 1.20 0.00 0.00 45 P 0.00 4.56 0.00 2.16 2.15 0.00 3.71 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 1.98 2.04 0.00 46 K 8.23 4.61 0.00 1.76 0.78 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.36 7.81 47 K 8.44 4.13 0.00 1.80 1.55 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81 48 P 0.00 4.27 0.00 2.20 2.21 0.00 3.77 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 1.99 2.03 0.00 49 N 7.48 5.02 0.00 2.74 2.74 0.00 0.00 6.71 7.45 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 50 S 8.80 4.60 0.00 3.75 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 51 A 7.21 4.32 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 52 L 7.82 5.11 0.00 1.51 1.60 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.53 4.03 0.00 1.90 1.78 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 54 K 9.19 4.37 0.00 1.69 1.61 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.50 7.81 55 V 8.39 5.07 2.23 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 0.86 0.00 0.00 1.05 0.00 0.00 56 A 8.82 4.97 1.23 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 0.00 0.00 0.00 57 K 9.00 4.87 0.00 1.68 1.72 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.37 7.81 58 V 8.30 4.76 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 1.00 0.00 0.00 0.90 0.00 0.00 59 R 8.37 5.01 0.00 1.95 1.82 0.00 3.21 0.00 0.00 3.28 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 60 L 8.34 4.74 0.00 1.62 1.60 0.95 0.60 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 61 T 8.32 4.06 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 1.34 0.00 0.00 62 S 7.79 4.51 0.00 3.60 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 63 G 7.95 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 64 Y 7.52 4.52 0.00 2.95 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 65 E 7.79 5.51 0.00 1.86 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 2.24 2.17 0.00 66 V 7.49 4.62 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 0.80 0.00 0.00 0.23 0.00 0.00 67 T 8.46 4.56 4.30 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 1.24 0.00 0.00 68 A 8.85 4.99 1.21 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 69 Y 8.69 4.72 0.00 2.99 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 I 7.95 4.33 1.56 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.65 0.65 0.00 0.00 71 P 0.00 4.00 0.00 1.75 1.91 0.00 3.58 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 72 G 7.56 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 73 E 8.43 4.17 0.00 1.93 1.88 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 2.23 2.25 0.00 74 G 9.28 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.49 4.37 0.00 3.18 3.16 0.00 5.49 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.63 4.87 0.00 2.79 2.84 0.00 0.00 5.92 7.79 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 77 L 7.52 4.66 0.00 1.76 1.63 0.87 0.98 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 78 Q 8.14 4.54 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 79 E 8.33 4.20 0.00 1.91 1.81 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 2.47 2.23 0.00 80 H 7.57 5.46 0.00 3.17 3.31 0.00 5.60 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 81 S 8.26 4.68 0.00 3.81 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 82 V 8.45 4.11 2.33 0.00 0.00 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 0.95 0.00 0.00 83 V 8.80 4.71 2.06 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 0.76 0.00 0.00 0.99 0.00 0.00 84 L 8.07 4.76 0.00 0.84 1.02 0.56 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.05 4.83 2.12 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 1.07 0.99 1.03 0.00 0.00 86 R 9.86 5.00 0.00 1.62 1.18 0.00 3.38 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 87 G 8.59 4.35 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 0.00 88 G 8.17 4.46 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 0.00 89 R 8.60 4.95 0.00 1.78 1.96 0.00 2.65 0.00 0.00 3.90 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 90 V 7.75 4.21 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 0.63 0.00 0.00 0.97 0.00 0.00 91 K 7.36 4.09 0.00 1.72 1.77 0.00 1.80 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.52 7.81 92 D 7.42 5.10 0.00 2.74 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 0.00 0.00 0.00 0.00 93 L 7.66 5.02 0.00 1.52 1.43 0.69 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.71 0.00 2.04 1.79 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 95 G 8.72 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 96 V 7.13 4.76 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 1.15 0.00 0.00 0.95 0.00 0.00 97 R 8.25 4.06 0.00 1.31 1.64 0.00 3.01 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 98 Y 8.05 5.33 0.00 2.91 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 99 H 8.83 5.21 0.00 3.28 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.10 4.10 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.44 0.81 0.00 0.00 101 V 8.21 4.14 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 0.44 0.00 0.00 0.58 0.00 0.00 102 R 8.46 3.83 0.00 1.87 1.85 0.00 3.34 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 103 G 9.04 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 0.00 104 V 6.74 4.35 1.65 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 0.74 0.00 0.00 0.82 0.00 0.00 105 Y 8.92 3.72 0.00 3.11 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 0.00 106 D 7.83 4.30 0.00 2.91 2.80 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 0.00 107 A 7.78 4.16 1.31 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 0.00 0.00 0.00 108 A 9.98 4.14 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 0.00 109 G 8.46 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 0.00 0.00 0.00 0.00 110 V 8.29 4.39 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 0.79 0.00 0.00 0.95 0.00 0.00 111 K 8.48 4.14 0.00 1.83 1.64 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 112 D 8.73 4.72 0.00 2.90 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 0.00 113 R 7.26 4.33 0.00 1.90 1.92 0.00 3.35 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 114 K 8.35 4.66 0.00 1.73 1.77 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.46 7.81 115 K 7.63 4.63 0.00 1.77 1.29 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.42 7.81 116 S 8.73 4.12 0.00 3.60 3.68 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 0.00 117 R 8.38 4.21 0.00 1.79 2.18 0.00 3.32 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 118 S 7.77 3.98 0.00 3.80 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 0.00 119 K 7.89 4.19 0.00 1.30 1.36 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.30 7.81 120 Y 9.89 4.39 0.00 2.96 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 0.00 121 G 7.67 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 0.00 0.00 0.00 122 T 8.45 3.31 4.55 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 0.00 0.00 0.00 1.29 0.00 0.00 123 K 8.19 4.18 0.00 1.79 1.78 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.43 7.81 124 K 8.34 4.05 0.00 1.70 1.77 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.49 7.81 125 P 0.00 4.20 0.00 2.22 2.09 0.00 3.87 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 1.99 1.96 0.00 126 K 8.67 3.78 0.00 1.85 1.78 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.68 7.81 127 E 9.10 3.88 0.00 1.99 2.03 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 2.33 2.34 0.00 128 A 7.49 3.56 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *129 A 7.94 4.12 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 * Residues marked with a * may have inaccurate shift predictions.