NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 P 4.3354 0.0000 0.0000 62.7457 31.5605 173.8724 18 F 4.2872 7.9834 114.3824 59.6913 40.5432 175.9635 19 L 4.1743 7.9373 121.7324 56.5972 43.4464 178.8450 20 K 3.8192 8.3812 120.3164 59.4621 32.1865 178.1303 21 G 3.8122 7.6288 105.8194 48.5429 0.0000 173.9768 22 L 4.1814 9.6188 117.3799 54.1297 42.1686 176.8390 23 V 3.9234 7.5546 119.8214 64.4937 31.7915 175.4664 24 N 4.3675 9.4784 122.9502 54.0855 36.6580 173.6093 25 H 4.9593 7.8599 115.5278 53.6230 32.4718 173.7879 26 R 4.4556 8.4259 121.3194 56.7139 31.1378 175.7430 27 V 4.9996 9.4570 119.1293 59.5921 36.8406 174.3941 28 G 4.4084 9.5286 109.3346 44.4488 0.0000 172.1450 29 V 4.7415 9.0440 125.3962 61.0377 33.9052 173.9413 30 K 4.4623 8.3511 130.0092 54.7156 33.7875 175.4281 31 L 4.5984 7.6986 126.7681 53.5108 42.8064 176.9597 32 K 4.0092 8.1219 121.6985 59.3786 31.9465 177.7026 33 F 4.7280 6.8332 112.6163 56.0322 40.3887 176.8960 34 N 4.0821 8.8236 117.7738 54.3456 37.0578 175.6989 35 S 4.6467 8.0702 109.3964 58.5401 62.8527 174.2624 36 T 4.9406 7.6496 116.3532 63.0712 71.1464 174.9218 37 E 4.7132 8.9501 125.9459 54.6736 33.6971 173.3425 38 Y 5.3264 8.9847 124.7366 56.7282 40.0361 174.8134 39 R 5.0597 9.6706 123.4641 53.7305 33.5357 176.8853 40 G 3.8202 7.7060 108.0748 46.3925 0.0000 170.5256 41 T 4.6421 8.1575 116.8837 62.7558 70.1523 174.3753 42 L 4.4647 8.7476 129.2691 54.5632 42.2467 177.3069 43 V 3.8388 8.5496 127.8178 65.5319 32.0498 175.9803 44 S 4.6858 7.5902 112.5462 58.2272 66.5634 172.6444 45 T 4.8611 7.8123 115.4257 65.1559 71.7055 172.3755 46 D 4.4763 8.8133 117.4594 54.0279 41.3165 178.0007 47 N 4.3650 8.5593 119.8297 56.7749 38.9483 175.9528 48 Y 4.0416 8.4558 114.6825 59.5385 37.9849 177.6105 49 F 3.6703 9.6673 117.2683 57.3232 37.3125 174.3465 50 N 5.0356 8.0324 119.4652 53.0436 39.7696 174.0703 51 L 4.9830 8.8140 122.4687 54.1940 44.8269 174.6254 52 Q 4.5528 9.0253 122.3498 54.3540 31.0685 173.8925 53 L 5.1807 8.3965 127.8937 53.1716 45.4374 174.2394 54 N 5.2954 9.1721 124.6035 51.4185 41.6857 174.2078 55 E 3.7672 8.9034 123.4045 57.3228 26.9225 174.5229 56 A 4.5425 7.7262 120.7565 52.1313 19.9651 177.1229 57 E 5.0513 9.6961 123.5336 54.2423 32.7351 174.3253 58 E 4.8799 9.1402 128.5163 55.7509 31.1839 174.8585 59 F 5.2079 9.1440 125.5936 55.6006 42.5041 174.5173 60 V 4.5048 8.6301 122.7627 61.2919 34.1811 175.1449 61 A 3.8004 9.5179 130.5683 53.1858 16.4295 178.2990 62 G 4.0230 8.6131 106.3633 46.7893 0.0000 174.1562 63 V 4.3324 7.7126 120.6241 60.5654 33.0417 175.0271 64 S 3.7369 8.4752 121.7592 58.7191 62.6769 173.3759 65 H 4.6872 9.5346 125.8359 55.4613 29.4920 174.1655 66 G 3.8253 8.2648 106.4241 44.9666 0.0000 172.7852 67 T 4.8980 8.0345 114.3169 61.6052 70.7003 173.8114 68 L 4.7457 8.3586 126.3018 51.5714 43.8962 178.9271 69 G 4.2383 8.6427 107.2431 46.2717 0.0000 174.5384 70 E 4.7215 9.0131 125.9657 55.4238 30.8101 174.5918 71 I 4.8006 8.6892 117.2943 59.0487 41.4393 174.1492 72 F 5.0824 8.9339 121.4552 55.9328 41.1900 174.8020 73 I 4.5984 8.9889 124.9375 59.6515 40.0401 174.8565 74 R 4.8248 8.5786 126.5743 55.8294 31.4059 177.6034 75 S 4.2927 9.5361 121.4079 62.2192 62.6777 174.6284 76 N 4.1210 7.9540 118.2061 56.6155 39.4794 175.2741 77 N 4.6678 8.1639 113.6947 53.6850 38.8202 174.4545 78 V 4.2473 8.9244 119.7312 61.4410 32.1598 174.8998 79 L 4.2349 8.4760 131.9922 56.8702 41.9640 176.5498 80 Y 4.9762 6.7532 113.7001 56.2615 42.0048 172.4069 81 I 5.4972 8.5966 119.2159 59.8331 40.8525 175.2317 82 R 4.7613 9.2604 122.6734 54.1925 33.4150 173.9174 83 E 4.6913 8.5989 121.1948 54.9810 30.3381 175.7690 84 L 4.2475 8.3262 128.4086 53.6538 42.3960 175.4720 85 P 4.1545 0.0000 0.0000 64.4077 31.4146 175.9182 86 N 4.3181 7.9593 119.7514 51.7617 37.6760 174.1674 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 17 P 0.00 4.34 0.00 2.07 2.12 0.00 3.61 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 1.93 2.14 0.00 18 F 7.98 4.29 0.00 3.20 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 19 L 7.94 4.17 0.00 1.60 1.61 0.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.38 3.82 0.00 1.78 1.85 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.48 7.81 21 G 7.63 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 22 L 9.62 4.18 0.00 1.80 1.67 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.55 3.92 2.16 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 0.81 0.00 0.00 0.94 0.00 0.00 24 N 9.48 4.37 0.00 2.86 2.89 0.00 0.00 6.85 6.11 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 25 H 7.86 4.96 0.00 3.30 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.43 4.46 0.00 1.90 1.81 0.00 3.12 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 27 V 9.46 5.00 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 0.78 0.00 0.00 1.03 0.00 0.00 28 G 9.53 4.41 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 0.00 0.00 0.00 29 V 9.04 4.74 2.29 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 0.81 0.00 0.00 0.99 0.00 0.00 30 K 8.35 4.46 0.00 1.34 0.74 0.00 1.33 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.71 1.03 7.81 31 L 7.70 4.60 0.00 1.06 0.71 0.66 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.12 4.01 0.00 1.68 1.87 0.00 1.90 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 33 F 6.83 4.73 0.00 3.13 3.07 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 34 N 8.82 4.08 0.00 2.96 2.81 0.00 0.00 6.72 7.57 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 35 S 8.07 4.65 0.00 3.80 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 36 T 7.65 4.94 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 0.73 0.00 0.00 37 E 8.95 4.71 0.00 1.78 1.60 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 2.09 2.23 0.00 38 Y 8.98 5.33 0.00 3.00 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 39 R 9.67 5.06 0.00 1.84 1.76 0.00 2.21 0.00 0.00 2.72 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.35 0.00 40 G 7.71 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.16 4.64 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 1.25 0.00 0.00 42 L 8.75 4.46 0.00 1.76 1.72 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.55 3.84 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 0.81 0.00 0.00 0.87 0.00 0.00 44 S 7.59 4.69 0.00 3.89 3.88 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 45 T 7.81 4.86 4.20 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 1.16 0.00 0.00 46 D 8.81 4.48 0.00 2.82 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 47 N 8.56 4.37 0.00 2.97 3.02 0.00 0.00 6.98 7.46 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 48 Y 8.46 4.04 0.00 3.37 3.06 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 49 F 9.67 3.67 0.00 3.21 3.30 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 50 N 8.03 5.04 0.00 2.97 2.84 0.00 0.00 6.55 6.74 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 51 L 8.81 4.98 0.00 1.68 1.65 0.94 0.62 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 52 Q 9.03 4.55 0.00 1.76 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 53 L 8.40 5.18 0.00 1.69 1.36 0.94 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.17 5.30 0.00 2.68 2.59 0.00 0.00 7.12 7.98 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 55 E 8.90 3.77 0.00 2.18 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 0.00 2.21 2.29 0.00 56 A 7.73 4.54 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 E 9.70 5.05 0.00 2.14 2.24 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 1.91 2.28 0.00 58 E 9.14 4.88 0.00 2.34 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 2.30 2.36 0.00 59 F 9.14 5.21 0.00 3.19 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 60 V 8.63 4.50 1.78 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 0.98 0.00 0.00 0.67 0.00 0.00 61 A 9.52 3.80 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 62 G 8.61 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 63 V 7.71 4.33 2.25 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 0.86 0.00 0.00 0.97 0.00 0.00 64 S 8.48 3.74 0.00 3.37 3.55 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 0.00 65 H 9.53 4.69 0.00 3.07 3.23 0.00 5.69 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 66 G 8.26 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 0.00 0.00 0.00 67 T 8.03 4.90 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 1.28 0.00 0.00 68 L 8.36 4.75 0.00 1.50 1.53 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.64 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 70 E 9.01 4.72 0.00 1.97 1.86 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 2.37 2.28 0.00 71 I 8.69 4.80 1.76 0.00 0.00 0.51 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 0.68 0.86 0.00 0.00 72 F 8.93 5.08 0.00 2.79 3.01 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 73 I 8.99 4.60 1.92 0.00 0.00 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 1.17 0.77 1.00 0.00 0.00 74 R 8.58 4.82 0.00 1.81 1.92 0.00 3.74 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 75 S 9.54 4.29 0.00 3.68 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 76 N 7.95 4.12 0.00 2.71 2.91 0.00 0.00 7.00 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 N 8.16 4.67 0.00 2.81 2.89 0.00 0.00 6.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.92 4.25 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 0.81 0.00 0.00 1.08 0.00 0.00 79 L 8.48 4.23 0.00 1.43 1.28 0.90 0.96 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 80 Y 6.75 4.98 0.00 3.02 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 81 I 8.60 5.50 1.98 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 1.54 0.96 0.98 0.00 0.00 82 R 9.26 4.76 0.00 1.82 1.98 0.00 2.78 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 83 E 8.60 4.69 0.00 1.98 1.89 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 2.25 2.34 0.00 84 L 8.33 4.25 0.00 1.60 1.56 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.15 0.00 2.16 2.08 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 86 N 7.96 4.32 0.00 2.88 2.83 0.00 0.00 6.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00