NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8989 8.3549 109.7364 45.8923 0.0000 171.4887 2 S 4.6315 7.5215 113.8906 54.9434 66.9405 173.4749 3 S 4.4385 8.7565 115.3915 58.8188 64.4134 176.6513 4 G 4.9293 7.2093 117.9909 45.6871 0.0000 173.8527 5 S 4.4965 8.0130 117.8335 57.1646 62.0617 174.7430 6 S 4.6844 8.0401 125.3214 57.1652 62.5169 175.8900 7 G 3.9571 7.5055 105.4017 44.9391 0.0000 172.3559 8 V 4.2674 8.0823 118.1426 59.5209 32.3653 175.2418 9 E 4.7192 8.2055 123.1056 53.4479 33.4071 174.0300 10 P 4.5455 0.0000 0.0000 62.2086 32.4481 176.5866 11 S 4.2336 8.7318 114.6776 61.1512 62.6381 175.1814 12 E 4.5563 7.9110 119.3774 54.7145 31.8789 174.9982 13 E 4.6730 8.5896 127.1714 54.9549 30.1670 176.1929 14 N 4.6696 7.4798 117.3347 54.2322 41.5811 173.0370 15 S 4.3885 8.8562 116.5710 59.1664 66.2134 175.9572 16 K 3.8161 8.6459 127.0231 57.6675 29.5667 173.5906 17 D 4.9281 7.6110 115.8306 50.9192 42.1961 175.1918 18 C 4.1792 7.8672 117.2294 59.8895 31.7453 173.8905 19 V 4.1723 7.6922 120.0942 61.4787 31.4650 176.3604 20 V 4.2044 7.9016 118.4956 64.1971 33.0625 176.0745 21 C 4.6393 7.9375 110.4402 56.9400 31.2091 173.4203 22 Q 3.4901 7.7311 116.3577 56.3501 27.3176 174.4865 23 N 4.7962 8.3777 116.0298 54.5950 41.2318 175.1549 24 G 4.1432 7.6479 105.1924 43.4512 0.0000 171.7400 25 T 4.3426 8.1985 114.7165 60.7730 67.8683 174.8380 26 V 3.8615 8.3791 123.0129 61.8019 32.1418 175.5639 27 N 5.1315 8.7581 125.6604 52.4277 39.9343 173.4570 28 W 5.3390 8.0852 115.7863 55.2023 34.0745 174.6747 29 V 4.3985 8.1835 117.7986 60.0994 33.3946 175.6779 30 L 4.7643 8.1959 125.5634 52.9068 40.2194 176.0456 31 L 4.5290 8.3540 123.2654 54.0361 42.9006 176.7880 32 P 4.2924 0.0000 0.0000 66.7920 31.7057 178.2501 33 C 3.5294 7.7367 112.9216 59.3128 30.4405 173.8497 34 R 3.6798 7.7439 117.8386 57.1045 28.0052 175.4916 35 H 4.9520 7.7722 115.6656 54.6948 30.7929 175.5898 36 T 5.4668 8.1221 115.2623 59.7107 67.2781 173.7427 37 C 4.8396 7.9309 127.1326 59.6803 30.0394 173.8438 38 L 4.6792 7.8996 119.7309 53.3319 44.2308 175.9901 39 C 4.2895 8.7113 121.7128 59.7153 28.6731 174.6763 40 D 4.3234 8.8449 121.0645 57.2032 40.4710 179.0695 41 G 3.8653 7.7785 104.7595 46.8591 0.0000 175.5230 42 C 3.9840 7.8340 118.5957 61.5296 27.8487 176.2256 43 V 3.6627 7.7946 121.2013 64.1906 30.8977 177.7748 44 K 4.1838 7.8629 117.8039 58.3077 33.0111 177.5786 45 Y 3.6424 7.5946 117.9349 60.0880 37.8429 176.5316 46 F 4.8160 7.8791 119.0364 55.3397 40.6303 175.9020 47 Q 3.8273 8.8788 127.5225 58.0198 29.1178 175.3913 48 Q 4.5748 7.3259 115.0435 53.7396 31.8430 174.0170 49 C 4.3487 8.0236 119.7686 58.2736 31.8287 172.1947 50 P 4.5209 0.0000 0.0000 63.8932 30.6489 175.5322 51 M 4.5311 7.7432 115.6781 56.9865 34.2423 176.4118 52 C 4.3215 8.0662 111.3084 57.7373 31.2236 173.3588 53 R 3.8857 7.7590 118.8492 57.3753 27.3241 175.8842 54 Q 4.5904 7.5782 118.3985 53.9565 31.6644 173.9533 55 F 4.2145 9.2063 128.7449 58.5810 39.9241 175.0718 56 V 3.8208 7.8920 126.4680 62.4358 30.7421 175.4692 57 Q 4.0123 8.4346 127.1990 57.4194 29.7204 175.8255 58 E 4.8966 7.6320 114.5948 54.8703 33.3650 174.6950 59 S 5.2449 8.8951 116.5385 57.0302 67.2055 173.3468 60 F 5.1650 8.5737 117.7758 54.9258 41.6417 173.3262 61 A 4.0319 7.4420 122.0968 50.4650 18.5673 177.1448 62 L 3.9109 8.5756 123.4198 57.5151 42.2271 178.8586 63 S 3.5842 7.6516 111.4817 59.6412 61.5335 170.6051 64 G 4.3743 7.3310 109.2769 43.1913 0.0000 171.5971 65 P 4.4096 0.0000 0.0000 63.8435 31.1621 176.6839 66 S 4.5087 7.4423 116.7752 57.8375 61.8400 173.1228 67 S 4.5449 8.0929 117.8779 57.1356 65.1565 174.5549 68 G 3.7514 8.5140 112.1089 45.6562 0.0000 173.6532 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 G 8.35 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 2 S 7.52 4.63 0.00 3.91 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.76 4.44 0.00 3.97 3.97 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 4 G 7.21 4.93 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 0.00 0.00 0.00 5 S 8.01 4.50 0.00 3.87 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 6 S 8.04 4.68 0.00 3.82 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 7 G 7.51 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 0.00 0.00 0.00 8 V 8.08 4.27 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 0.86 0.00 0.00 0.93 0.00 0.00 9 E 8.21 4.72 0.00 1.88 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 0.00 2.20 2.22 0.00 10 P 0.00 4.55 0.00 2.17 2.07 0.00 3.79 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 1.98 1.98 0.00 11 S 8.73 4.23 0.00 3.87 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 12 E 7.91 4.56 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 13 E 8.59 4.67 0.00 2.08 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 2.17 2.25 0.00 14 N 7.48 4.67 0.00 2.64 2.69 0.00 0.00 7.02 7.68 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 15 S 8.86 4.39 0.00 3.74 3.65 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 0.00 0.00 0.00 0.00 16 K 8.65 3.82 0.00 1.84 1.79 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.34 7.81 17 D 7.61 4.93 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.87 4.18 0.00 3.04 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 19 V 7.69 4.17 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 0.78 0.00 0.00 0.82 0.00 0.00 20 V 7.90 4.20 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 1.11 0.00 0.00 0.76 0.00 0.00 21 C 7.94 4.64 0.00 3.04 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 22 Q 7.73 3.49 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 23 N 8.38 4.80 0.00 2.65 2.84 0.00 0.00 6.92 7.65 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 24 G 7.65 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.20 4.34 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 1.22 0.00 0.00 26 V 8.38 3.86 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 0.85 0.00 0.00 0.97 0.00 0.00 27 N 8.76 5.13 0.00 2.79 2.88 0.00 0.00 6.80 7.77 0.00 0.00 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 W 8.09 5.34 0.00 3.23 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 29 V 8.18 4.40 1.90 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 0.35 0.00 0.00 -0.04 0.00 0.00 30 L 8.20 4.76 0.00 1.60 1.58 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.35 4.53 0.00 1.89 1.64 1.24 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.29 0.00 2.20 2.21 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 33 C 7.74 3.53 0.00 2.83 2.98 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 0.00 0.00 0.00 34 R 7.74 3.68 0.00 2.21 2.06 0.00 3.49 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 35 H 7.77 4.95 0.00 3.21 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.12 5.47 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 1.16 0.00 0.00 37 C 7.93 4.84 0.00 2.90 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 38 L 7.90 4.68 0.00 1.62 1.70 1.13 1.09 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 39 C 8.71 4.29 0.00 2.94 2.89 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 40 D 8.84 4.32 0.00 2.71 2.90 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 41 G 7.78 3.87 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 0.00 0.00 0.00 42 C 7.83 3.98 0.00 2.96 3.10 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 43 V 7.79 3.66 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 0.36 0.00 0.00 0.76 0.00 0.00 44 K 7.86 4.18 0.00 1.85 1.86 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.37 7.81 45 Y 7.59 3.64 0.00 2.60 1.73 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 46 F 7.88 4.82 0.00 3.24 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 47 Q 8.88 3.83 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 48 Q 7.33 4.57 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 49 C 8.02 4.35 0.00 3.02 2.90 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 50 P 0.00 4.52 0.00 1.94 1.51 0.00 3.69 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 1.83 1.70 0.00 51 M 7.74 4.53 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 52 C 8.07 4.32 0.00 3.09 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 53 R 7.76 3.89 0.00 1.98 2.06 0.00 3.45 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 54 Q 7.58 4.59 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 55 F 9.21 4.21 0.00 3.07 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 56 V 7.89 3.82 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 0.71 0.00 0.00 0.94 0.00 0.00 57 Q 8.43 4.01 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 58 E 7.63 4.90 0.00 2.10 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 2.29 2.42 0.00 59 S 8.90 5.24 0.00 3.85 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 60 F 8.57 5.16 0.00 3.00 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 61 A 7.44 4.03 0.01 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 62 L 8.58 3.91 0.00 1.71 1.71 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.65 3.58 0.00 3.73 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.33 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 0.00 0.00 0.00 0.00 65 P 0.00 4.41 0.00 2.18 2.17 0.00 3.75 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 1.98 1.98 0.00 66 S 7.44 4.51 0.00 3.82 3.87 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 67 S 8.09 4.54 0.00 3.77 3.67 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 68 G 8.51 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 0.00 0.00 0.00