NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1515 8.2393 119.6919 55.1858 31.4319 174.8839 2 P 4.2260 0.0000 0.0000 61.7657 32.3271 174.2937 3 D 4.5078 8.1403 117.3317 55.4051 42.5335 179.4355 4 F 4.4072 7.8334 113.7232 59.4099 38.1372 177.6565 5 C 4.4611 6.9620 117.6277 58.8998 40.3671 174.5187 6 L 4.0391 7.4888 118.2561 56.1881 41.6042 176.8414 7 E 4.3466 7.4191 119.1408 54.2481 30.4443 173.9487 8 P 4.3973 0.0000 0.0000 61.2712 32.2213 174.2673 9 P 3.9530 0.0000 0.0000 62.0117 31.3250 175.7802 10 Y 4.5224 7.4379 120.4497 55.7734 38.8439 176.1231 11 T 4.3906 7.7101 123.8485 63.8070 68.9361 175.4623 12 G 3.8142 6.3467 112.2707 43.2498 0.0000 171.5799 13 P 3.9293 0.0000 0.0000 61.9187 30.5062 180.3470 14 C 4.0257 8.7942 116.9134 57.5088 40.3588 173.1009 15 K 4.3504 8.2856 116.3914 56.4062 33.6172 175.9523 16 A 4.5932 7.5915 122.8537 51.1501 21.0278 178.2235 17 R 4.5987 7.8078 113.1533 55.6395 29.8439 174.6610 18 I 4.2388 8.5468 128.7800 61.0188 40.1281 174.8292 19 I 4.3897 8.0730 125.5807 60.1998 36.7767 175.7152 20 R 4.4057 7.6613 126.9248 55.3220 32.4639 174.4009 21 Y 5.5973 10.1573 117.4676 57.0719 41.1022 175.3310 22 F 5.5453 9.2607 115.5938 56.2333 42.3293 172.4341 23 Y 4.6184 9.2791 121.2355 56.5540 40.0643 174.1897 24 N 4.9826 7.9705 126.9735 51.8562 37.9939 175.0640 25 A 3.6290 8.4058 129.3328 54.5270 18.5794 178.5363 26 K 4.1474 8.0836 113.2215 57.7249 32.7224 177.5534 27 A 4.2170 8.4124 121.4776 51.9259 19.9141 178.3518 28 G 4.0879 8.9344 103.7662 44.9446 0.0000 172.0225 29 L 4.8523 6.9839 122.3147 55.2378 44.0933 175.7514 30 C 5.3417 8.8995 115.1557 55.5718 45.1771 173.0939 31 Q 4.6961 8.1215 119.6599 54.8265 33.5030 173.5738 32 T 5.0827 8.4936 109.8666 60.6359 70.8035 174.1198 33 F 5.0309 8.9037 118.1026 54.9691 42.4122 174.2953 34 V 3.7868 8.4245 119.7758 62.8164 31.7349 174.1285 35 Y 4.9094 9.0640 131.3776 57.2484 39.9129 175.7670 36 G 4.1232 9.0454 111.2178 45.2044 0.0000 174.8508 37 A 3.0603 5.8000 121.4782 51.8135 16.4802 176.0048 38 C 4.8976 7.0300 107.7000 54.2267 45.0972 173.1817 39 R 3.6109 8.6241 116.6862 57.1171 28.0618 175.6006 40 A 4.4989 8.1105 118.4810 51.5952 19.7176 178.1145 41 K 4.5811 7.9975 121.8249 55.0117 34.6257 177.0262 42 R 3.2804 8.2291 117.3402 58.8601 30.5610 176.5815 43 N 4.7041 7.2200 119.3464 51.6571 38.0109 175.6479 44 N 5.3010 5.9129 114.4473 53.2982 40.4472 172.8150 45 F 4.8159 9.7600 122.6689 55.6312 40.7985 177.2221 46 K 4.5346 8.7580 124.1144 58.5559 32.6519 176.7959 47 S 4.2621 7.7678 111.4004 55.1729 66.1434 174.6137 48 A 3.6569 6.8124 122.1149 54.6801 18.0796 179.7730 49 E 3.8236 7.3901 117.3248 59.1565 29.3383 178.8327 50 D 4.3744 7.6900 118.6616 56.7331 40.9865 177.9791 51 C 2.4500 7.6224 118.6242 59.0425 39.0872 175.3603 52 M 3.9502 7.9027 120.4001 58.4701 31.3739 178.8342 53 R 3.8731 7.4463 116.8731 59.3501 30.1975 178.5853 54 T 4.0582 7.1504 115.1298 66.2647 68.6374 175.0274 55 C 4.5702 7.7713 115.1856 57.6766 42.3069 173.7203 56 G 3.6641 8.0545 110.2419 42.1417 0.0000 177.1266 57 G 4.3572 7.6480 109.1420 45.5787 0.0000 172.9850 58 A 4.0781 7.6807 121.0432 52.8232 19.2498 177.5275 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 R 8.24 4.15 0.00 1.72 1.76 0.00 2.85 0.00 0.00 2.94 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.48 0.00 2 P 0.00 4.23 0.00 0.86 2.02 0.00 3.40 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.67 0.00 3 D 8.14 4.51 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.83 4.41 0.00 3.28 3.37 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 5 C 6.96 4.46 0.00 2.33 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 6 L 7.49 4.04 0.00 1.80 1.76 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.42 4.35 0.00 1.97 1.87 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 2.31 2.30 0.00 8 P 0.00 4.40 0.00 2.09 1.97 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 9 P 0.00 3.95 0.00 0.81 0.49 0.00 2.86 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.00 10 Y 7.44 4.52 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 4.39 4.17 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 0.00 0.00 0.00 1.17 0.00 0.00 12 G 6.35 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 13 P 0.00 3.93 0.00 2.16 1.90 0.00 3.91 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 14 C 8.79 4.03 0.00 2.93 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 15 K 8.29 4.35 0.00 1.63 1.71 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.36 7.81 16 A 7.59 4.59 1.13 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 0.00 0.00 17 R 7.81 4.60 0.00 1.72 1.84 0.00 2.98 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 18 I 8.55 4.24 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 0.94 0.00 0.00 19 I 8.07 4.39 1.77 0.00 0.00 0.76 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 0.76 0.69 0.00 0.00 20 R 7.66 4.41 0.00 0.76 2.10 0.00 3.30 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 21 Y 10.16 5.60 0.00 3.50 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 22 F 9.26 5.55 0.00 3.38 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 23 Y 9.28 4.62 0.00 3.22 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 24 N 7.97 4.98 0.00 2.54 2.46 0.00 0.00 6.68 8.31 0.00 0.00 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 A 8.41 3.63 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.08 4.15 0.00 1.92 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 A 8.41 4.22 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.93 4.09 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 0.00 0.00 0.00 29 L 6.98 4.85 0.00 1.66 1.60 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.90 5.34 0.00 2.85 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 31 Q 8.12 4.70 0.00 1.60 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 32 T 8.49 5.08 4.06 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 0.46 0.00 0.00 33 F 8.90 5.03 0.00 2.93 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 34 V 8.42 3.79 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 0.96 0.00 0.00 0.92 0.00 0.00 35 Y 9.06 4.91 0.00 2.43 2.69 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 0.00 0.00 0.00 0.00 36 G 9.05 4.12 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 0.00 0.00 0.00 37 A 5.80 3.06 1.10 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 0.00 0.00 38 C 7.03 4.90 0.00 3.11 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 39 R 8.62 3.61 0.00 2.05 2.38 0.00 3.32 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 40 A 8.11 4.50 1.09 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 0.00 0.00 41 K 8.00 4.58 0.00 1.67 1.63 0.00 0.79 0.00 0.00 1.54 0.00 0.00 2.57 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.20 1.21 7.81 42 R 8.23 3.28 0.00 0.96 0.66 0.00 2.48 0.00 0.00 2.90 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.39 0.00 43 N 7.22 4.70 0.00 2.92 2.60 0.00 0.00 7.05 7.28 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 44 N 5.91 5.30 0.00 2.56 2.53 0.00 0.00 6.62 5.12 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 45 F 9.76 4.82 0.00 3.23 3.04 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 46 K 8.76 4.53 0.00 1.80 1.93 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.45 7.81 47 S 7.77 4.26 0.00 3.79 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 48 A 6.81 3.66 0.99 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 0.00 0.00 49 E 7.39 3.82 0.00 1.80 1.93 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 2.24 2.41 0.00 50 D 7.69 4.37 0.00 2.99 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 51 C 7.62 2.45 0.00 2.73 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 52 M 7.90 3.95 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 53 R 7.45 3.87 0.00 1.79 1.96 0.00 3.23 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.15 4.06 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 1.58 0.00 0.00 55 C 7.77 4.57 0.00 2.23 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 0.00 0.00 0.00 0.00 56 G 8.05 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.65 4.36 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 0.00 58 A 7.68 4.08 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00