NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6515 8.3049 118.1951 54.7217 34.3195 174.2610 2 K 4.2779 7.2738 123.0502 56.1948 37.1883 177.3631 3 A 4.3873 9.6883 135.0000 54.1762 20.0812 179.6351 4 K 3.9928 8.0985 114.4395 58.9357 32.7582 177.4271 5 E 4.6182 7.3380 119.6390 54.3319 28.2533 176.5047 6 L 4.4131 7.8403 117.4445 54.5303 46.5127 176.6871 7 R 3.8039 8.7783 124.5733 57.9892 28.4324 176.2427 8 E 4.4739 7.7251 110.7094 55.1120 29.6150 174.2254 9 K 3.5511 8.0048 123.0645 56.9035 31.7174 174.9967 10 S 4.2142 8.5279 120.9089 61.3631 62.0500 175.6108 11 V 3.7573 7.7382 118.9819 64.8260 31.4833 177.0578 12 E 4.2007 8.4349 118.7219 59.6873 29.5247 178.2831 13 E 4.2971 7.8457 119.4523 58.4314 29.3674 179.6683 14 L 3.9938 7.8175 118.7249 57.7806 41.9607 177.9837 15 N 4.8388 8.0706 113.1052 53.9237 38.5668 176.1472 16 T 4.2518 7.4905 116.6640 66.0232 69.3713 177.2902 17 E 4.3105 7.9341 119.4457 58.2103 29.8347 179.0236 18 L 3.9299 7.6679 119.8144 57.3960 42.1407 177.9909 19 L 4.6075 7.9667 115.9915 54.6014 41.6760 177.1420 20 N 4.5327 8.0939 117.9883 56.0429 38.8599 176.9030 21 L 4.4401 7.7064 114.7709 55.0721 42.5974 179.4129 22 L 4.3515 7.1551 123.0664 54.5438 42.2316 177.7977 23 R 3.8603 8.7879 112.8843 59.6390 30.1843 178.0643 24 E 4.2736 8.1711 115.0585 57.8024 29.8841 177.0331 25 Q 4.4005 7.8105 117.8719 56.3365 31.6315 176.8871 26 F 4.0744 9.4454 120.0424 61.5406 39.7689 176.8786 27 N 4.3927 8.4589 115.8557 55.7280 38.2048 177.2837 28 L 3.9795 7.9097 121.7539 57.8349 41.9469 177.9621 29 R 4.4364 7.5944 115.7462 56.2918 28.7751 176.3239 30 M 4.4521 7.8033 117.6583 55.2543 32.6767 176.6650 31 Q 4.2176 7.6675 115.6580 55.8378 30.6175 177.1729 32 A 4.1080 7.9589 117.6012 52.7336 18.2015 177.0108 33 A 4.6387 8.2287 120.0776 54.8749 24.3363 179.1995 34 S 4.2882 7.6304 108.1179 58.7122 63.1502 174.6124 35 G 4.0300 7.6049 108.5784 46.5821 0.0000 173.1435 36 Q 4.4197 7.0406 115.0966 54.9022 33.1959 172.0740 37 L 3.5366 8.5182 127.8092 54.7843 41.3342 174.6261 38 Q 4.3791 8.5319 121.1080 56.1338 29.5834 177.2041 39 Q 4.3456 7.6432 118.2720 55.4099 26.2463 176.3660 40 S 4.0884 8.5226 119.3663 61.7262 63.4783 176.2654 41 H 4.3008 8.2370 113.3092 56.7430 28.4446 176.8582 42 L 3.7768 7.9443 122.8537 58.4156 42.0004 178.0265 43 L 4.0765 7.0365 117.1740 57.9372 41.4436 178.9449 44 K 3.9792 8.1555 118.5310 59.2597 31.8896 176.7778 45 Q 4.2434 8.3763 117.1138 56.1643 29.3108 176.9372 46 V 3.3405 8.4235 115.0120 63.5918 29.9325 171.6445 47 R 4.4341 6.9461 114.9098 56.5538 33.3480 177.2134 48 R 3.9282 7.4763 115.7440 60.0131 30.6894 178.6164 49 D 4.4307 8.0696 117.5562 57.0577 40.5393 178.7198 50 V 3.6153 8.4547 119.0471 65.4721 31.5219 177.6626 51 A 4.1682 7.8972 119.8789 54.3077 18.1213 179.3339 52 R 4.1695 7.9874 116.8710 58.4083 30.4542 178.4281 53 V 3.8343 7.2598 114.2091 64.1338 31.6366 176.3793 54 K 4.4103 7.6288 115.5013 59.1712 33.7961 177.7794 55 T 3.8536 8.1431 115.8983 67.0099 68.4962 176.4273 56 L 4.2522 7.9330 118.8871 56.2888 41.8151 178.3250 57 L 4.3355 7.5923 119.4920 56.0991 42.3804 177.4076 58 N 4.4389 8.1545 116.6157 55.8948 38.6169 176.4133 59 E 4.2670 7.5881 115.1767 57.4572 29.6178 176.5767 60 K 4.1858 7.3092 120.2591 56.8621 32.8187 176.4453 61 A 4.2630 7.8750 121.9018 52.0992 18.3911 178.3298 62 G 4.1505 10.1260 112.3475 46.2254 0.0000 172.5223 63 A 4.1591 7.6506 125.6011 52.4389 19.3538 175.5562 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 8.30 4.65 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 K 7.27 4.28 0.00 1.80 0.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 A 9.69 4.39 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 4 K 8.10 3.99 0.00 1.74 1.90 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.54 7.81 5 E 7.34 4.62 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 2.32 2.43 0.00 6 L 7.84 4.41 0.00 1.72 1.53 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.78 3.80 0.00 1.93 1.99 0.00 3.17 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 8 E 7.73 4.47 0.00 2.06 1.91 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 2.15 2.19 0.00 9 K 8.00 3.55 0.00 1.98 2.03 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.52 7.81 10 S 8.53 4.21 0.00 3.92 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 11 V 7.74 3.76 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 0.93 0.00 0.00 0.93 0.00 0.00 12 E 8.43 4.20 0.00 2.21 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 2.30 2.43 0.00 13 E 7.85 4.30 0.00 2.07 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 2.34 2.38 0.00 14 L 7.82 3.99 0.00 1.70 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.07 4.84 0.00 2.73 2.83 0.00 0.00 7.05 7.50 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 16 T 7.49 4.25 4.37 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 1.21 0.00 0.00 17 E 7.93 4.31 0.00 2.03 2.00 0.00 0.00 0.00 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 2.26 0.00 18 L 7.67 3.93 0.00 1.90 1.81 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.97 4.61 0.00 1.78 1.66 1.00 0.91 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 20 N 8.09 4.53 0.00 3.00 2.85 0.00 0.00 7.01 6.33 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 21 L 7.71 4.44 0.00 1.66 1.74 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.16 4.35 0.00 1.84 1.53 1.00 0.93 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 23 R 8.79 3.86 0.00 1.93 2.34 0.00 3.47 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 24 E 8.17 4.27 0.00 1.98 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 2.31 0.00 25 Q 7.81 4.40 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 26 F 9.45 4.07 0.00 3.08 3.12 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 0.00 0.00 0.00 27 N 8.46 4.39 0.00 3.08 2.90 0.00 0.00 6.76 6.35 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 28 L 7.91 3.98 0.00 1.72 1.76 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.59 4.44 0.00 1.88 1.78 0.00 3.16 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 30 M 7.80 4.45 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 31 Q 7.67 4.22 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 32 A 7.96 4.11 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 33 A 8.23 4.64 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 34 S 7.63 4.29 0.00 4.04 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 35 G 7.60 4.03 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 0.00 36 Q 7.04 4.42 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.05 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 37 L 8.52 3.54 0.00 2.00 1.67 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.53 4.38 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.39 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 39 Q 7.64 4.35 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 40 S 8.52 4.09 0.00 3.90 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 41 H 8.24 4.30 0.00 3.51 3.54 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.94 3.78 0.00 1.88 1.68 0.88 1.06 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 43 L 7.04 4.08 0.00 1.46 1.73 0.90 0.86 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 44 K 8.16 3.98 0.00 1.87 2.06 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.64 7.81 45 Q 8.38 4.24 0.00 2.39 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 5.90 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 46 V 8.42 3.34 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 0.87 0.00 0.00 1.05 0.00 0.00 47 R 6.95 4.43 0.00 2.12 1.80 0.00 3.19 0.00 0.00 3.17 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 48 R 7.48 3.93 0.00 1.76 2.01 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 49 D 8.07 4.43 0.00 2.69 2.72 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 50 V 8.45 3.62 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 1.06 0.00 0.00 1.01 0.00 0.00 51 A 7.90 4.17 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 52 R 7.99 4.17 0.00 2.10 1.98 0.00 3.24 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 53 V 7.26 3.83 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.01 0.00 0.00 54 K 7.63 4.41 0.00 1.96 1.79 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.80 7.81 55 T 8.14 3.85 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 1.21 0.00 0.00 56 L 7.93 4.25 0.00 1.79 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.59 4.34 0.00 1.68 1.73 0.92 0.67 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 58 N 8.15 4.44 0.00 3.10 2.84 0.00 0.00 6.59 7.19 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 59 E 7.59 4.27 0.00 2.17 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 0.00 2.40 2.32 0.00 60 K 7.31 4.19 0.00 1.86 2.11 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.43 1.38 7.81 61 A 7.88 4.26 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 62 G 10.13 4.15 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 0.00 0.00 0.00 63 A 7.65 4.16 1.20 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 0.00 0.00 0.00