NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.0455 8.1200 119.5305 55.8461 33.4752 178.2185 3 V 3.7741 8.5187 127.9961 62.4031 32.0589 173.3887 4 R 4.4090 8.3962 122.8109 56.1920 32.8728 174.8328 5 A 4.6432 8.6055 122.4034 52.3552 20.0389 177.3039 6 S 4.5967 7.5424 111.2525 57.5346 62.6562 173.1761 7 V 4.0174 7.5839 115.8260 60.5445 32.8452 176.2405 8 K 4.4670 8.0232 120.9339 55.8319 35.5292 174.6601 9 R 4.4946 8.3726 118.2857 55.4563 30.9274 175.2575 10 I 4.0130 7.5888 125.2180 63.2186 38.9146 179.0505 11 C 4.9068 7.5640 124.4123 58.0847 28.7747 175.2327 12 D 4.7074 8.9709 114.0627 53.2877 41.1674 175.0446 13 K 4.5801 8.0253 118.0434 56.5389 34.0008 175.0207 14 C 4.4899 8.0346 118.9976 59.1492 29.2832 172.7433 15 K 4.4196 9.4055 126.4995 54.4297 33.9823 175.3224 16 V 4.1467 8.5560 128.2864 62.9032 31.6756 174.5343 17 I 4.4745 8.4116 128.8527 59.1739 41.0687 174.4141 18 R 5.5561 8.6815 129.6480 53.9426 29.4506 174.1535 19 R 4.5028 8.2697 123.7822 55.4646 32.1688 176.0372 20 H 4.1391 9.7015 119.1293 56.4887 26.2089 176.0563 21 G 4.0058 8.4689 106.6664 45.4321 0.0000 173.7984 22 R 4.5315 8.0651 119.5649 54.3911 32.0480 175.8729 23 V 3.9532 8.0126 122.4369 62.5880 31.4031 174.9296 24 Y 4.4409 9.0868 126.1790 56.8134 40.7424 174.6050 25 V 4.7542 8.3122 119.4092 62.0189 34.2604 173.2127 26 I 4.4496 8.6667 122.9783 59.6115 39.4351 174.6572 27 C 5.3187 8.2904 127.3783 56.7341 34.4761 172.2940 28 E 4.1651 8.9215 117.3474 58.8858 29.6669 176.7898 29 N 4.7454 7.7962 116.4741 50.6248 38.5866 173.9272 30 P 4.3939 0.0000 0.0000 64.5070 31.2523 176.6490 31 K 4.3729 7.8332 117.4028 57.1611 32.2572 176.4805 32 H 4.9239 8.0856 115.1845 55.2035 30.2660 174.8090 33 K 4.3911 7.7996 120.7250 56.7164 32.7421 175.8967 34 Q 4.8527 8.3885 122.6163 55.8704 31.9061 174.2991 35 R 4.0425 7.7191 121.0041 57.0573 32.2173 174.0075 36 Q 4.6004 7.8126 125.4448 54.5655 28.9015 175.6531 37 G 3.6736 8.4087 113.8242 45.7645 0.0000 171.0202 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 2 K 8.12 5.05 0.00 1.80 0.96 0.00 2.09 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.35 7.81 3 V 8.52 3.77 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 0.72 0.00 0.00 0.89 0.00 0.00 4 R 8.40 4.41 0.00 1.96 1.99 0.00 2.74 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 5 A 8.61 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 6 S 7.54 4.60 0.00 3.76 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 7 V 7.58 4.02 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 0.72 0.00 0.00 0.91 0.00 0.00 8 K 8.02 4.47 0.00 1.67 1.69 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.44 7.81 9 R 8.37 4.49 0.00 1.78 1.84 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 10 I 7.59 4.01 1.45 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.38 0.75 0.00 0.00 11 C 7.56 4.91 0.00 3.12 2.17 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 12 D 8.97 4.71 0.00 2.75 2.73 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 13 K 8.03 4.58 0.00 1.69 1.86 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.60 7.81 14 C 8.03 4.49 0.00 2.86 2.88 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 15 K 9.41 4.42 0.00 1.76 1.86 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.36 7.81 16 V 8.56 4.15 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 0.82 0.00 0.00 0.94 0.00 0.00 17 I 8.41 4.47 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.59 1.00 0.00 0.00 18 R 8.68 5.56 0.00 1.89 1.86 0.00 3.11 0.00 0.00 4.01 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 19 R 8.27 4.50 0.00 1.76 1.46 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 20 H 9.70 4.14 0.00 3.45 3.52 0.00 5.98 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.47 4.01 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 0.00 22 R 8.07 4.53 0.00 2.32 1.66 0.00 3.32 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 23 V 8.01 3.95 2.20 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 1.00 0.00 0.00 0.95 0.00 0.00 24 Y 9.09 4.44 0.00 3.07 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 25 V 8.31 4.75 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 1.02 0.00 0.00 1.00 0.00 0.00 26 I 8.67 4.45 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 1.23 0.75 0.92 0.00 0.00 27 C 8.29 5.32 0.00 2.98 2.94 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 28 E 8.92 4.17 0.00 1.99 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 2.30 2.30 0.00 29 N 7.80 4.75 0.00 2.80 2.87 0.00 0.00 5.95 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.39 0.00 2.20 2.22 0.00 3.73 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 1.99 0.00 31 K 7.83 4.37 0.00 1.74 1.90 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.44 7.81 32 H 8.09 4.92 0.00 3.31 3.29 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.80 4.39 0.00 2.02 1.79 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.50 7.81 34 Q 8.39 4.85 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 35 R 7.72 4.04 0.00 1.59 1.57 0.00 2.93 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 36 Q 7.81 4.60 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 37 G 8.41 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 0.00 0.00 0.00