NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5395 8.3049 120.3680 55.8739 33.6462 172.8917 2 I 2.7921 7.3137 121.5806 59.6093 37.6296 169.5060 3 V 2.9638 8.5563 124.9088 62.1238 32.8672 173.4826 4 P 4.3576 0.0000 0.0000 61.2260 31.3669 176.6233 5 V 3.5020 8.2931 123.8300 64.0758 31.9837 173.2583 6 R 3.8331 8.5632 129.6379 55.7939 29.4361 175.7056 7 C 4.1349 8.4291 120.2888 58.8000 32.3266 173.3686 8 F 4.7302 7.9438 123.1944 58.6501 38.3775 177.0680 9 S 4.2718 8.9233 120.4318 62.3710 63.4712 175.8828 10 C 4.2777 8.1193 115.0820 58.3637 41.8499 174.5925 11 G 3.8211 8.3458 106.3553 44.3029 0.0000 173.9406 12 K 3.9627 8.0099 121.6197 55.9679 32.7977 176.0836 13 V 3.8731 8.1247 124.9297 64.1563 31.7713 176.4828 14 V 4.3659 8.0168 121.1844 64.0438 33.5754 174.6446 15 G 3.7457 8.1560 109.2188 48.1287 0.0000 175.1925 16 D 4.5517 8.2184 119.4442 56.0784 40.2286 178.6105 17 K 3.9194 8.2490 118.9873 58.4955 32.1255 177.6650 18 W 4.6310 8.7311 129.8146 59.8721 30.3575 177.0364 19 E 3.7227 8.4079 117.1918 59.8332 29.2100 179.5112 20 S 4.0707 8.1239 114.1532 62.0592 62.7479 176.0586 21 Y 3.8885 8.2085 121.1630 60.6689 38.3073 177.7627 22 L 3.5954 8.2227 121.4475 57.4935 41.8966 178.5221 23 N 4.2509 8.0474 117.6337 56.3003 38.4829 176.6280 24 L 4.1281 7.8192 116.8758 56.5454 41.2308 177.6612 25 L 4.2746 7.8579 118.5911 55.9500 42.7534 178.0780 26 Q 3.9380 7.7573 121.3663 59.5252 30.5555 178.8358 27 E 3.9932 8.2211 116.9335 58.0224 28.6665 179.0568 28 D 4.2428 9.4607 119.1817 57.4076 41.3802 178.8497 29 E 3.8257 8.8590 115.4779 58.6971 25.0418 175.1837 30 L 4.8261 7.7290 124.1603 52.7166 46.2458 175.4311 31 D 4.8777 8.1204 118.0808 52.6620 41.4071 176.7032 32 E 3.1210 8.7045 116.2389 56.4055 31.0532 180.9359 33 G 3.9353 8.1717 109.0391 47.8228 0.0000 175.7900 34 T 3.8320 8.0162 118.4728 66.1994 68.3370 176.4244 35 A 3.9227 7.7267 121.1624 56.0393 18.5882 178.9665 36 L 3.9871 8.4187 115.9017 58.2961 41.3287 179.6985 37 S 3.7931 8.4454 114.3529 62.2252 62.8187 177.3293 38 R 3.9612 8.0471 120.6378 59.1211 29.9464 178.0431 39 L 4.2390 8.7136 118.5058 55.6273 41.8201 177.8071 40 G 4.0403 7.6238 106.2826 45.3046 0.0000 174.6546 41 L 4.2028 7.5382 118.8025 54.9911 39.8419 176.7950 42 K 4.1176 8.4534 124.0949 58.5461 32.8944 177.1664 43 R 4.6295 7.7277 115.6675 54.6828 31.0221 176.4302 44 Y 4.3631 9.5494 119.5116 60.5699 37.5324 178.0632 45 C 4.0615 7.7471 114.8346 61.1781 29.4447 174.0977 46 C 4.5812 7.7612 112.7261 54.7414 37.2703 174.5538 47 R 4.3532 7.5588 119.7992 59.0169 30.6255 177.8394 48 R 3.9127 8.8361 117.0344 59.4925 28.9530 177.9265 49 M 3.7293 8.0609 118.3213 58.8359 31.7820 178.2783 50 I 3.6722 7.1266 117.9396 64.2447 37.5659 178.0178 51 L 4.0400 7.8482 118.5220 57.3658 41.8469 177.6078 52 T 4.4584 7.2164 113.2173 64.6595 70.5596 174.1130 53 H 3.6889 7.0270 118.1597 56.2512 30.0311 174.0366 54 V 4.0137 8.0762 126.6404 60.8903 32.2598 175.8494 55 D 4.5612 7.9711 132.6566 53.5624 39.7004 176.9746 56 L 3.7068 7.9384 123.2084 58.2676 42.0375 179.1014 57 I 3.7617 8.3009 117.6940 64.7137 37.5260 177.2322 58 E 4.0731 8.0746 118.5258 59.3134 29.0962 179.0612 59 K 4.0788 8.8464 119.5183 58.7542 32.1776 179.5155 60 F 4.7498 7.6978 117.8797 60.8566 38.7776 177.3478 61 L 4.1766 8.3548 117.5791 57.7889 41.4663 179.1126 62 R 4.0751 7.3457 113.6793 55.6122 30.0063 175.6022 63 Y 4.1361 8.2368 118.9605 59.0893 36.3198 175.3444 64 N 4.9734 9.3927 126.8256 53.6565 45.7800 171.0807 65 P 4.4953 0.0000 0.0000 62.8979 31.7318 176.4079 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 4.54 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 2 I 7.31 2.79 1.83 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 1.20 0.17 0.83 0.00 0.00 3 V 8.56 2.96 1.94 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 0.73 0.00 0.00 0.47 0.00 0.00 4 P 0.00 4.36 0.00 1.74 1.74 0.00 3.44 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 5 V 8.29 3.50 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 0.79 0.00 0.00 0.91 0.00 0.00 6 R 8.56 3.83 0.00 1.97 2.09 0.00 3.26 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 7 C 8.43 4.13 0.00 2.84 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 8 F 7.94 4.73 0.00 3.04 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 9 S 8.92 4.27 0.00 3.92 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 10 C 8.12 4.28 0.00 3.08 3.21 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 11 G 8.35 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 12 K 8.01 3.96 0.00 1.79 1.68 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.43 7.81 13 V 8.12 3.87 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 0.82 0.00 0.00 0.93 0.00 0.00 14 V 8.02 4.37 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 0.72 0.00 0.00 0.96 0.00 0.00 15 G 8.16 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 16 D 8.22 4.55 0.00 2.96 2.96 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 17 K 8.25 3.92 0.00 1.93 2.03 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.65 7.81 18 W 8.73 4.63 0.00 3.37 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 19 E 8.41 3.72 0.00 2.08 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 2.56 2.60 0.00 20 S 8.12 4.07 0.00 4.06 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 21 Y 8.21 3.89 0.00 2.89 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 22 L 8.22 3.60 0.00 0.70 1.27 0.63 0.57 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 23 N 8.05 4.25 0.00 3.04 2.69 0.00 0.00 7.08 7.47 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 24 L 7.82 4.13 0.00 1.46 1.54 0.88 0.69 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 25 L 7.86 4.27 0.00 1.65 1.37 0.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.76 3.94 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 27 E 8.22 3.99 0.00 2.16 1.67 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 2.36 2.28 0.00 28 D 9.46 4.24 0.00 2.57 2.65 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 29 E 8.86 3.83 0.00 1.99 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 0.00 2.26 2.52 0.00 30 L 7.73 4.83 0.00 1.48 1.49 0.86 0.93 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 31 D 8.12 4.88 0.00 2.79 2.75 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 32 E 8.70 3.12 0.00 2.19 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 0.00 2.51 2.59 0.00 33 G 8.17 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 34 T 8.02 3.83 4.40 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 1.21 0.00 0.00 35 A 7.73 3.92 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 36 L 8.42 3.99 0.00 1.97 1.74 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.45 3.79 0.00 4.07 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 38 R 8.05 3.96 0.00 1.80 2.21 0.00 3.24 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 39 L 8.71 4.24 0.00 1.79 1.77 1.19 1.05 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 40 G 7.62 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 4.20 0.00 1.68 1.82 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.45 4.12 0.00 1.74 1.85 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 43 R 7.73 4.63 0.00 2.15 2.12 0.00 3.06 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 44 Y 9.55 4.36 0.00 3.20 3.11 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 0.00 45 C 7.75 4.06 0.00 2.99 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 46 C 7.76 4.58 0.00 3.11 3.15 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 47 R 7.56 4.35 0.00 2.18 2.09 0.00 3.31 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 48 R 8.84 3.91 0.00 2.04 2.26 0.00 2.87 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.05 0.00 49 M 8.06 3.73 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 50 I 7.13 3.67 1.67 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.28 0.00 0.00 51 L 7.85 4.04 0.00 1.61 1.71 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.22 4.46 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 1.24 0.00 0.00 53 H 7.03 3.69 0.00 2.84 3.00 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.08 4.01 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 0.82 0.00 0.00 1.02 0.00 0.00 55 D 7.97 4.56 0.00 2.56 2.60 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 0.00 0.00 0.00 56 L 7.94 3.71 0.00 1.80 0.90 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.30 3.76 2.09 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 1.75 1.56 1.04 0.00 0.00 58 E 8.07 4.07 0.00 2.13 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 2.63 2.59 0.00 59 K 8.85 4.08 0.00 1.42 1.69 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.41 7.81 60 F 7.70 4.75 0.00 3.26 3.09 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 0.00 0.00 0.00 0.00 61 L 8.35 4.18 0.00 1.78 1.81 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.35 4.08 0.00 1.75 1.76 0.00 3.18 0.00 0.00 3.10 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 63 Y 8.24 4.14 0.00 3.29 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 9.39 4.97 0.00 2.71 2.61 0.00 0.00 6.84 7.69 0.00 0.00 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 4.50 0.00 2.23 2.03 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00