NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.3115 8.3331 118.8227 56.0935 29.2601 176.2390 0 G 3.7258 7.9613 116.6770 45.7972 0.0000 168.5571 2 K 4.2019 8.1200 115.1031 56.3051 35.4607 172.7688 3 Q 4.2300 8.7258 123.7844 55.8170 29.8994 174.5158 4 E 4.7918 8.0972 123.0758 54.8422 32.9944 174.2956 5 F 4.4243 8.8577 123.9622 56.8600 40.8295 174.8611 6 V 4.1989 8.4492 122.9266 62.7158 31.2750 175.8221 7 A 4.3453 9.1963 130.9666 55.0073 19.0662 177.3650 8 A 4.4953 7.6506 113.2319 51.3048 22.4373 175.4552 9 I 5.0352 8.4594 121.2337 59.6488 40.0294 174.8343 10 E 4.6927 9.1701 125.7828 54.8501 33.6299 173.7574 11 I 5.0820 8.3325 127.1135 59.6902 38.8362 175.4904 12 D 4.6787 8.8306 128.0344 51.8510 40.8057 177.5217 13 G 3.6199 8.5665 107.7505 48.6757 0.0000 174.6202 14 T 4.0679 7.9342 107.5813 62.1218 69.3672 175.4435 15 G 4.0005 8.2721 111.0270 44.9696 0.0000 173.9948 16 R 4.1462 8.1835 119.4636 56.0599 31.6582 175.2926 17 I 4.8279 8.5213 123.2337 60.0550 39.9519 173.8241 18 H 5.3351 9.8543 127.7286 54.0066 31.5678 173.4898 19 V 4.6537 9.2598 123.5466 61.5634 33.9026 174.5665 20 T 4.9328 8.9479 126.7851 61.5275 69.3932 172.9610 21 P 4.6450 0.0000 0.0000 62.4323 31.6934 177.2107 22 G 4.0125 8.9104 111.3975 49.1861 0.0000 174.3340 23 E 4.8177 8.5208 113.5150 56.4735 32.8428 175.9621 24 S 4.2981 9.2356 115.4008 57.9493 63.6126 173.3405 25 Q 4.1300 7.8394 121.2241 54.1060 31.9257 176.1203 26 F 4.4863 5.4600 118.6779 55.8720 39.3859 174.9418 27 P 4.1200 0.0000 0.0000 64.7109 31.9339 177.4839 28 Y 4.7174 7.5312 115.6532 57.4995 38.7613 177.3849 29 I 3.8563 7.9826 122.8909 63.8460 37.9185 176.9942 30 Y 4.3194 8.1544 118.4862 59.8394 37.6156 178.0199 31 R 3.8005 7.0443 116.9996 58.5564 29.5797 178.2523 32 E 4.1655 7.9156 117.9906 56.1873 29.9453 174.7126 33 A 3.4856 7.6145 124.1701 52.2437 15.7395 176.1310 *35 E 4.2370 8.3441 120.0715 56.1927 31.1198 175.1455 36 V 4.3827 7.7973 116.1691 61.0184 33.2156 175.0356 37 S 4.9817 8.6344 122.6989 56.5396 66.4995 172.4546 38 W 5.2604 8.7278 130.3415 55.7150 33.3535 173.8249 39 N 4.7312 8.3616 125.9787 51.8709 39.5294 175.1704 40 E 4.1359 8.7613 126.9041 58.8815 30.1655 179.4451 41 S 4.2205 8.1410 113.0162 60.4402 63.3521 174.9220 42 T 4.2868 7.6196 108.1595 60.2900 69.1221 174.5405 43 R 3.0213 6.8375 118.2924 57.5507 28.2378 176.2194 44 S 4.7742 6.6954 112.1661 56.2257 66.7903 175.1685 45 L 5.0738 8.9156 123.2454 55.3273 42.9723 175.6071 46 H 5.4146 8.9542 116.9180 54.2851 32.3021 173.0941 47 S 4.6779 8.3465 115.2364 57.1594 64.3449 171.8087 48 P 4.5604 0.0000 0.0000 61.3090 31.9636 176.5624 49 V 3.5325 8.2020 119.2312 62.7942 31.4548 173.6055 50 P 4.5058 0.0000 0.0000 62.2766 31.2765 175.8761 51 R 4.7125 8.1929 119.0223 53.7336 32.5687 174.6386 52 E 4.1060 8.6236 120.6044 55.8313 30.3168 176.1953 53 W 4.3091 8.7464 135.0000 57.1061 31.6167 175.7322 54 S 4.5167 7.7255 118.8581 56.0509 64.6526 174.0265 55 Y 4.1674 8.6307 127.1170 60.9742 37.7426 178.4042 56 A 4.0020 8.0455 121.2876 55.3695 18.5306 179.5177 57 Q 3.7879 8.0743 116.5742 58.8699 28.6309 179.1629 58 W 3.8620 7.9649 119.9285 59.3868 28.9795 178.2706 59 L 4.0158 8.3454 120.6449 58.4008 41.4681 179.0286 60 Q 3.8775 7.9866 117.8694 58.9921 28.6210 178.7609 61 Q 3.8678 8.1901 120.8055 59.1761 29.0756 178.3642 62 I 3.8907 8.2368 121.1380 64.4779 37.1168 178.4306 63 F 4.1683 9.0171 118.9350 60.6086 38.7538 177.6459 64 A 4.0285 8.5383 120.4311 54.8370 17.9726 179.6425 65 A 3.9151 8.2455 119.1886 55.3667 18.5731 179.6017 66 A 3.9276 8.0487 119.3328 55.3487 18.2939 179.7361 67 S 4.5119 8.1827 112.9510 61.2378 62.2838 176.1109 68 E 3.9840 8.0656 119.8343 58.9891 29.1485 178.3590 69 Q 4.6226 7.5823 116.3105 55.4828 29.8749 176.6600 70 G 3.9060 8.4511 108.2923 45.0740 0.0000 174.0253 71 V 4.1156 7.8159 120.0806 60.6267 33.2621 174.3951 72 K 4.1775 8.4099 128.9442 54.7184 31.4271 175.2171 73 L 4.0962 7.7577 126.3589 54.0146 42.3621 177.3028 74 V 4.6600 7.7658 115.1116 59.3144 35.3457 175.6240 75 L 4.3284 8.6219 122.8838 54.7796 42.4030 176.1910 76 G 4.3308 8.8107 109.2081 43.2540 0.0000 172.0694 77 P 4.3760 0.0000 0.0000 64.7420 31.3179 177.4208 78 N 4.8645 7.9298 112.7543 52.8047 39.2924 174.9995 79 T 3.8093 7.4539 116.1311 63.8726 68.9162 174.0636 80 R 4.1743 8.2534 125.2537 55.3611 31.0039 176.0392 81 W 4.4294 8.7465 122.1222 55.0425 28.7705 175.3213 82 V 4.2546 8.2467 123.9423 61.8472 32.5025 174.9969 83 N 4.2644 8.8035 126.3185 54.7293 37.3568 173.5882 84 V 4.3337 7.0699 114.8180 59.7993 33.6125 173.9099 85 P 4.3810 0.0000 0.0000 62.4180 33.1443 176.5064 86 N 3.9886 8.7028 119.3144 56.9532 38.4093 177.0340 87 E 3.8881 8.2027 118.8446 59.7883 29.6299 179.4097 88 L 3.9726 7.8413 119.7183 57.8510 42.1181 178.8829 89 R 3.2860 7.7247 118.7451 58.9119 29.8489 178.3786 90 A 3.7508 7.6034 119.9967 55.0188 18.5071 179.0193 91 E 3.9103 7.7845 117.8345 59.5844 29.7959 179.0480 92 L 4.0975 8.4133 119.3622 58.0470 41.7320 179.7052 93 T 4.0404 7.9494 115.7975 67.0841 68.4117 176.4792 94 H 4.3159 8.3032 117.8708 58.7375 28.4463 177.7789 95 A 4.0091 7.8824 121.8157 54.8625 18.2281 179.2355 96 A 3.7026 7.8736 118.6270 55.5541 18.4728 178.9938 97 A 4.0131 7.7960 118.2653 54.4354 18.4892 177.3957 98 A 4.1214 8.2570 124.2520 52.5095 18.4561 177.4438 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 Q 8.33 4.31 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 0 G 7.96 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.12 4.20 0.00 1.83 1.75 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.31 7.81 3 Q 8.73 4.23 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 4 E 8.10 4.79 0.00 1.98 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 2.31 2.45 0.00 5 F 8.86 4.42 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 4.20 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 0.89 0.00 0.00 0.96 0.00 0.00 7 A 9.20 4.35 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 8 A 7.65 4.50 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 9 I 8.46 5.04 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 1.26 1.00 0.93 0.00 0.00 10 E 9.17 4.69 0.00 1.98 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 11 I 8.33 5.08 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 1.41 0.76 0.92 0.00 0.00 12 D 8.83 4.68 0.00 2.88 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 13 G 8.57 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 14 T 7.93 4.07 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 15 G 8.27 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 16 R 8.18 4.15 0.00 2.04 1.77 0.00 3.23 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 17 I 8.52 4.83 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 1.24 1.57 0.91 0.00 0.00 18 H 9.85 5.34 0.00 3.13 3.14 0.00 5.81 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 19 V 9.26 4.65 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 1.02 0.00 0.00 0.94 0.00 0.00 20 T 8.95 4.93 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 1.26 0.00 0.00 21 P 0.00 4.65 0.00 2.46 2.32 0.00 4.23 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.42 0.00 22 G 8.91 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 0.00 0.00 0.00 23 E 8.52 4.82 0.00 2.06 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 0.00 2.55 2.34 0.00 24 S 9.24 4.30 0.00 4.00 3.22 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 25 Q 7.84 4.13 0.00 1.73 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.46 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 26 F 5.46 4.49 0.00 2.54 2.73 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 0.00 0.00 0.00 27 P 0.00 4.12 0.00 1.53 1.96 0.00 3.40 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 28 Y 7.53 4.72 0.00 2.90 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 29 I 7.98 3.86 2.12 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 1.13 0.00 0.00 30 Y 8.15 4.32 0.00 3.32 3.27 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 0.00 0.00 0.00 0.00 31 R 7.04 3.80 0.00 1.80 1.54 0.00 2.96 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 32 E 7.92 4.17 0.00 2.11 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 0.00 2.34 2.47 0.00 33 A 7.61 3.49 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 *35 E 8.34 4.24 0.00 2.02 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 2.24 2.37 0.00 36 V 7.80 4.38 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 0.86 0.00 0.00 0.92 0.00 0.00 37 S 8.63 4.98 0.00 3.39 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.73 5.26 0.00 3.49 2.97 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 39 N 8.36 4.73 0.00 2.70 2.41 0.00 0.00 6.96 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 40 E 8.76 4.14 0.00 2.13 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 0.00 2.92 2.55 0.00 41 S 8.14 4.22 0.00 3.93 3.96 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 0.00 0.00 0.00 42 T 7.62 4.29 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 1.10 0.00 0.00 43 R 6.84 3.02 0.00 1.95 2.23 0.00 3.30 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 44 S 6.70 4.77 0.00 3.84 3.79 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 0.00 0.00 0.00 45 L 8.92 5.07 0.00 1.69 1.67 0.63 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.95 5.41 0.00 2.99 3.06 0.00 5.45 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.35 4.68 0.00 3.95 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 48 P 0.00 4.56 0.00 2.12 2.10 0.00 3.72 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 2.08 2.11 0.00 49 V 8.20 3.53 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 0.79 0.00 0.00 0.93 0.00 0.00 50 P 0.00 4.51 0.00 2.10 2.02 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 51 R 8.19 4.71 0.00 1.85 1.83 0.00 3.01 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 52 E 8.62 4.11 0.00 2.00 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 2.33 2.38 0.00 53 W 8.75 4.31 0.00 3.44 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 54 S 7.73 4.52 0.00 3.79 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 55 Y 8.63 4.17 0.00 3.19 3.08 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 56 A 8.05 4.00 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 57 Q 8.07 3.79 0.00 1.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 58 W 7.96 3.86 0.00 3.27 3.18 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 59 L 8.35 4.02 0.00 1.82 1.72 0.87 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.99 3.88 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 61 Q 8.19 3.87 0.00 1.83 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.09 2.43 0.00 62 I 8.24 3.89 2.27 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.14 1.08 0.00 0.00 63 F 9.02 4.17 0.00 3.12 3.13 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 0.00 0.00 0.00 0.00 64 A 8.54 4.03 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 65 A 8.25 3.92 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 66 A 8.05 3.93 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.18 4.51 0.00 3.98 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 68 E 8.07 3.98 0.00 2.23 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 2.57 2.52 0.00 69 Q 7.58 4.62 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.57 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 70 G 8.45 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 71 V 7.82 4.12 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 0.87 0.00 0.00 0.89 0.00 0.00 72 K 8.41 4.18 0.00 1.72 1.70 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 73 L 7.76 4.10 0.00 0.35 0.74 0.55 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.77 4.66 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 0.77 0.00 0.00 0.93 0.00 0.00 75 L 8.62 4.33 0.00 1.78 1.77 1.20 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.81 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.38 0.00 2.09 2.17 0.00 3.68 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 2.05 2.14 0.00 78 N 7.93 4.86 0.00 2.70 2.84 0.00 0.00 6.93 7.54 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 79 T 7.45 3.81 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 0.68 0.00 0.00 80 R 8.25 4.17 0.00 1.72 1.83 0.00 3.16 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 81 W 8.75 4.43 0.00 3.25 3.19 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 0.00 0.00 0.00 0.00 82 V 8.25 4.25 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 83 N 8.80 4.26 0.00 2.83 2.83 0.00 0.00 6.98 7.71 0.00 0.00 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 V 7.07 4.33 2.35 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 0.95 0.00 0.00 1.13 0.00 0.00 85 P 0.00 4.38 0.00 2.25 1.94 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 86 N 8.70 3.99 0.00 2.71 2.82 0.00 0.00 7.05 7.66 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 87 E 8.20 3.89 0.00 2.04 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 2.40 2.43 0.00 88 L 7.84 3.97 0.00 1.79 1.78 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.72 3.29 0.00 1.35 1.53 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 90 A 7.60 3.75 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 91 E 7.78 3.91 0.00 2.03 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 0.00 2.34 2.38 0.00 92 L 8.41 4.10 0.00 1.98 1.95 1.12 0.85 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 93 T 7.95 4.04 4.29 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 1.22 0.00 0.00 94 H 8.30 4.32 0.00 3.36 3.33 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.88 4.01 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 96 A 7.87 3.70 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 A 7.80 4.01 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 98 A 8.26 4.12 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 * Residues marked with a * may have inaccurate shift predictions.