NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1731 8.2549 117.2626 54.7035 31.1432 174.8249 2 P 3.9455 0.0000 0.0000 60.8039 31.7785 176.3398 3 D 4.3342 8.3739 121.6807 56.2073 40.2048 178.1173 4 F 4.3646 7.7596 114.1224 59.0751 38.0262 177.4392 5 C 4.6355 7.4279 117.8897 58.8786 40.0977 174.1441 6 L 4.4513 7.8277 118.0379 54.4968 41.8771 176.2862 7 E 4.4633 7.6881 118.8074 54.3032 30.4712 174.7415 8 P 4.4997 0.0000 0.0000 61.6653 32.0314 174.3770 9 P 3.6445 0.0000 0.0000 62.7786 31.3154 175.2745 10 Y 4.6441 7.8116 121.6526 56.0530 39.8535 175.3858 11 T 4.1604 8.2642 125.6147 64.8690 68.8380 176.1098 12 G 3.6951 6.7484 104.9132 44.0948 0.0000 171.2887 13 P 4.3367 0.0000 0.0000 64.6486 32.1180 177.7882 14 C 4.4915 7.8310 116.8209 56.9394 40.7232 173.5477 15 K 4.2831 8.2105 119.9846 56.2950 32.3954 176.6243 16 A 4.3099 7.8307 121.4216 51.3375 20.9042 177.6132 17 R 4.5981 8.3149 118.8800 54.2679 30.8102 172.7984 18 I 4.4558 8.5684 124.7402 58.8759 40.0508 174.5183 19 I 4.2692 8.3347 128.3822 60.9582 37.7458 175.3829 20 R 4.7967 8.1954 125.2814 54.5455 34.6878 173.8952 21 Y 5.7275 9.4898 118.0747 56.7407 40.7945 175.2874 22 F 5.7539 9.6033 116.9191 55.4771 42.1655 172.8629 23 Y 4.2991 10.0750 123.1337 57.3718 40.0249 173.8134 24 N 4.6652 7.8398 126.5332 51.9635 39.0460 175.2396 25 A 3.9499 8.6435 130.0230 55.1178 18.6338 178.7458 26 K 3.9995 8.1372 114.4176 58.3405 31.2184 176.8031 27 A 4.4763 7.5486 119.5059 50.8987 20.2446 176.7765 28 G 3.9496 7.7923 103.3650 45.2112 0.0000 173.2263 29 L 4.4591 6.4251 116.3238 53.6022 46.0929 173.2706 30 C 4.9474 8.6216 121.2034 56.8838 41.3978 172.8025 31 Q 4.8219 8.5348 121.2194 54.6053 33.3180 173.7964 32 T 5.3119 8.5457 109.7346 60.6812 71.2282 173.5690 33 F 4.9561 8.7527 117.0798 55.6924 42.2778 173.0802 34 V 4.1097 8.3433 119.3871 62.0212 32.0593 174.1891 35 Y 4.6870 8.8752 130.9970 56.3223 39.9561 176.4668 36 G 3.8092 8.2525 113.8461 46.4259 0.0000 175.0588 37 G 3.7950 6.5660 107.1579 45.2452 0.0000 172.3440 38 C 4.8918 7.0198 112.0346 54.8236 44.7134 173.2850 39 R 3.7640 8.8007 116.6582 57.2318 27.1628 176.7666 40 A 4.3423 8.1716 118.5299 52.4455 19.2525 177.7782 41 K 4.4476 8.1760 119.6801 54.5346 34.3633 177.2071 42 R 3.5464 8.1047 118.0969 59.0611 30.3485 177.6964 43 N 4.7414 7.7681 117.8458 51.3442 37.4139 174.2651 44 N 5.0320 6.6072 116.5054 52.8466 41.4545 173.1002 45 F 5.0231 9.6410 124.9021 55.6095 42.2974 176.5524 46 K 4.5142 8.8511 121.7820 57.9169 32.6385 177.6421 47 S 4.3256 7.6647 112.8111 55.7908 66.7312 174.9289 48 A 3.4608 7.3064 124.9206 55.0277 18.0805 180.0184 49 E 3.7829 7.7955 116.6285 59.7851 29.6291 179.2256 50 D 4.2980 7.8170 118.3518 57.2318 40.7913 177.9992 51 C 2.4500 7.7344 119.0069 59.3341 40.1809 175.6635 52 M 3.8557 8.0164 120.5298 58.0486 31.2653 178.7202 53 R 3.7759 7.5061 118.0508 59.7887 30.3714 178.5190 54 T 4.0882 7.5013 113.9985 66.1328 68.5813 175.3650 55 C 4.5507 8.0020 115.8972 56.2908 40.9318 175.9523 56 G 3.1420 8.0084 110.6803 46.5968 0.0000 174.0381 57 G 3.8899 7.2368 112.7417 45.6155 0.0000 173.0295 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 8.25 4.17 0.00 1.69 1.85 0.00 2.86 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 2 P 0.00 3.95 0.00 1.08 1.45 0.00 3.27 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 3 D 8.37 4.33 0.00 2.81 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 4 F 7.76 4.36 0.00 3.23 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 4.64 0.00 2.96 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 7.83 4.45 0.00 1.75 1.74 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.69 4.46 0.00 2.20 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 2.53 2.44 0.00 8 P 0.00 4.50 0.00 2.13 2.07 0.00 3.80 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 2.00 1.97 0.00 9 P 0.00 3.64 0.00 0.49 0.49 0.00 3.45 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.00 10 Y 7.81 4.64 0.00 2.79 2.93 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 11 T 8.26 4.16 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 1.18 0.00 0.00 12 G 6.75 3.70 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 0.00 0.00 0.00 13 P 0.00 4.34 0.00 2.17 2.19 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.83 4.49 0.00 2.86 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 15 K 8.21 4.28 0.00 1.67 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.34 7.81 16 A 7.83 4.31 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 17 R 8.31 4.60 0.00 1.72 1.76 0.00 3.16 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 18 I 8.57 4.46 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.98 0.00 0.00 19 I 8.33 4.27 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.73 0.00 0.00 20 R 8.20 4.80 0.00 1.03 1.87 0.00 3.46 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 21 Y 9.49 5.73 0.00 3.26 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 22 F 9.60 5.75 0.00 3.28 3.05 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 0.00 0.00 0.00 0.00 23 Y 10.07 4.30 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 24 N 7.84 4.67 0.00 2.23 2.43 0.00 0.00 6.63 7.80 0.00 0.00 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 8.64 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.00 0.00 1.73 2.01 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 A 7.55 4.48 1.16 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 0.00 0.00 0.00 0.00 0.00 28 G 7.79 3.95 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 0.00 0.00 0.00 29 L 6.43 4.46 0.00 1.63 1.32 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.62 4.95 0.00 2.92 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 31 Q 8.53 4.82 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 32 T 8.55 5.31 4.05 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 0.00 0.00 0.00 0.51 0.00 0.00 33 F 8.75 4.96 0.00 2.90 2.79 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 0.00 0.00 0.00 0.00 34 V 8.34 4.11 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 0.69 0.00 0.00 0.88 0.00 0.00 35 Y 8.88 4.69 0.00 2.54 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 36 G 8.25 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 37 G 6.57 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.02 4.89 0.00 3.05 2.97 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 39 R 8.80 3.76 0.00 2.14 2.21 0.00 3.26 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 40 A 8.17 4.34 0.94 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 41 K 8.18 4.45 0.00 1.74 1.68 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.11 1.20 7.81 42 R 8.10 3.55 0.00 1.21 0.66 0.00 2.30 0.00 0.00 2.85 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.28 0.00 43 N 7.77 4.74 0.00 3.17 2.88 0.00 0.00 6.69 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 44 N 6.61 5.03 0.00 2.64 2.53 0.00 0.00 7.09 7.02 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 45 F 9.64 5.02 0.00 3.26 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 46 K 8.85 4.51 0.00 1.84 1.94 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.47 7.81 47 S 7.66 4.33 0.00 4.08 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 48 A 7.31 3.46 0.98 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 0.00 0.00 49 E 7.80 3.78 0.00 1.98 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 0.00 2.34 2.39 0.00 50 D 7.82 4.30 0.00 2.93 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 51 C 7.73 2.45 0.00 2.79 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 52 M 8.02 3.86 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 53 R 7.51 3.78 0.00 1.76 2.02 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 54 T 7.50 4.09 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 1.64 0.00 0.00 55 C 8.00 4.55 0.00 2.71 2.04 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 56 G 8.01 3.14 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 57 G 7.24 3.89 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 0.00 0.00 0.00