NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0683 8.2549 120.8378 55.0338 31.0601 175.1651 2 P 4.0141 0.0000 0.0000 62.3054 31.9757 176.0596 3 D 4.3962 8.4497 121.9163 57.1765 41.5905 178.6408 4 F 4.4639 7.9361 114.4702 59.5276 37.6830 177.6699 5 C 4.6861 7.6241 116.3701 58.9226 40.0206 174.5831 6 L 4.3670 7.7006 118.9549 53.9707 42.2001 176.5639 7 E 4.2832 7.5308 119.3845 54.9182 30.1892 175.1049 8 P 4.3813 0.0000 0.0000 61.5999 32.0657 174.4521 9 P 3.5143 0.0000 0.0000 62.7683 31.3435 175.2434 10 Y 4.5595 7.6659 121.5401 56.0357 40.2845 175.3357 11 T 4.2436 7.7059 124.6908 65.1299 68.8138 176.2548 12 G 3.8307 6.8350 105.9538 44.0114 0.0000 171.2140 13 P 4.3241 0.0000 0.0000 64.5410 31.8474 177.4891 14 C 4.5211 7.7995 116.8583 56.7615 40.8811 173.7873 15 K 4.2232 8.1742 118.3257 56.2288 32.6039 176.8577 16 A 4.1435 7.7290 122.0907 52.0862 19.7978 177.1712 17 R 4.5299 8.3182 117.6722 53.8597 31.2844 173.5063 18 I 4.5044 8.1319 122.5963 58.7904 40.7775 174.7146 19 I 4.1246 8.3676 128.0416 61.5486 37.5056 175.4906 20 R 4.5659 8.3432 125.0410 54.4563 34.7231 173.6546 21 Y 5.7092 9.2223 117.9367 56.5575 40.8146 175.2990 22 F 5.7153 9.5636 117.4790 55.3389 42.0189 172.9966 23 Y 4.3853 10.0891 123.1089 57.2348 40.1468 173.7856 24 N 4.8203 8.1578 126.7497 51.9603 38.9578 175.1056 25 A 3.9329 8.6351 130.0574 55.1355 18.8138 178.6042 26 K 3.9659 8.1661 115.0537 59.6736 32.2957 178.0208 27 A 3.9626 8.3626 120.3353 53.0228 18.3707 177.9010 28 G 3.9573 8.3574 103.6963 45.4226 0.0000 172.9948 29 L 4.5312 6.7132 117.6587 54.5756 43.8263 174.2923 30 C 4.9482 8.5939 116.9164 56.7864 41.2594 173.1397 31 Q 4.8213 8.6088 120.8658 54.3921 33.4665 174.1072 32 T 5.0987 8.6468 110.5229 61.4818 70.4895 173.7255 33 F 5.1042 9.1174 117.6831 55.7303 42.6541 172.8649 34 V 4.3618 8.4207 118.7534 61.7244 32.9960 173.4940 35 Y 4.8245 8.7024 129.7591 55.8031 40.6853 176.4588 36 G 3.8688 8.4749 113.7930 46.5209 0.0000 175.0751 37 G 3.7740 7.0203 107.5664 45.0441 0.0000 172.1567 38 C 4.9185 6.8827 112.0319 54.8476 44.6174 173.1188 39 R 3.8181 8.8182 116.1293 56.9324 26.9448 176.9206 40 A 4.1197 8.4045 119.5296 52.6264 18.9086 178.5903 41 K 4.2972 8.3472 121.8095 55.0928 33.5790 177.3924 42 R 3.4707 7.9624 118.2348 58.8115 30.3671 177.6820 43 N 4.8376 7.7357 117.7309 51.3523 37.2784 173.9868 44 N 4.9778 6.6255 115.7877 52.9138 41.5507 173.2302 45 F 4.9686 9.4017 125.1372 55.4884 42.3402 176.5097 46 K 4.2628 9.0622 126.1103 58.2390 32.7875 177.2147 47 S 4.8691 8.1159 112.9120 56.1921 65.0011 174.4566 48 A 3.4604 8.1288 130.5744 54.5782 18.0951 179.0142 49 E 3.7497 8.0174 117.6854 59.7838 29.5873 178.7776 50 D 4.3017 7.6754 117.4872 57.2288 40.7749 177.8958 51 C 2.4500 7.6317 118.6842 59.3378 40.3558 175.5553 52 M 3.8818 7.7693 120.0491 58.3131 31.3581 178.7056 53 R 3.7636 7.5509 117.1554 59.8262 30.3463 178.4099 54 T 3.9983 7.8384 114.3514 66.1923 68.6134 175.3027 55 C 4.4961 8.0473 115.6205 56.5571 41.5835 174.2317 56 G 3.5346 7.9705 114.6385 45.4351 0.0000 173.5333 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 4.07 0.00 1.64 1.81 0.00 3.17 0.00 0.00 2.97 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.50 0.00 2 P 0.00 4.01 0.00 1.02 1.58 0.00 3.39 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.00 0.00 3 D 8.45 4.40 0.00 2.73 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 4 F 7.94 4.46 0.00 3.21 3.35 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 5 C 7.62 4.69 0.00 2.94 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 6 L 7.70 4.37 0.00 1.68 1.76 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.53 4.28 0.00 2.10 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 2.56 2.44 0.00 8 P 0.00 4.38 0.00 2.09 2.01 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 P 0.00 3.51 0.00 0.94 0.49 0.00 3.28 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 10 Y 7.67 4.56 0.00 2.78 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 11 T 7.71 4.24 4.11 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 1.21 0.00 0.00 12 G 6.84 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 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.18 2.19 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 14 C 7.80 4.52 0.00 2.88 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 15 K 8.17 4.22 0.00 1.65 1.77 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.42 7.81 16 A 7.73 4.14 1.15 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 0.00 0.00 17 R 8.32 4.53 0.00 1.60 1.79 0.00 3.11 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 1.46 1.56 0.00 18 I 8.13 4.50 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.88 0.90 0.00 0.00 19 I 8.37 4.12 1.74 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 1.23 0.38 0.54 0.00 0.00 20 R 8.34 4.57 0.00 0.67 1.68 0.00 3.34 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 21 Y 9.22 5.71 0.00 3.12 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 22 F 9.56 5.72 0.00 3.00 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 23 Y 10.09 4.39 0.00 3.10 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 24 N 8.16 4.82 0.00 2.38 2.45 0.00 0.00 6.63 8.61 0.00 0.00 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 3.93 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 8.17 3.97 0.00 1.72 1.95 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 A 8.36 3.96 1.22 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 0.00 0.00 0.00 28 G 8.36 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 29 L 6.71 4.53 0.00 1.67 1.72 0.80 0.60 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 30 C 8.59 4.95 0.00 2.82 3.08 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 0.00 0.00 0.00 31 Q 8.61 4.82 0.00 1.41 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 32 T 8.65 5.10 4.21 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 1.32 0.00 0.00 33 F 9.12 5.10 0.00 3.00 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 4.36 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 0.90 0.00 0.00 0.91 0.00 0.00 35 Y 8.70 4.82 0.00 2.47 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 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 37 G 7.02 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 0.00 0.00 0.00 38 C 6.88 4.92 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 8.82 3.82 0.00 2.21 2.24 0.00 3.31 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 A 8.40 4.12 1.02 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 0.00 0.00 41 K 8.35 4.30 0.00 1.68 1.64 0.00 1.51 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.11 1.04 7.81 42 R 7.96 3.47 0.00 0.90 0.66 0.00 2.62 0.00 0.00 2.92 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.26 0.00 43 N 7.74 4.84 0.00 3.18 2.86 0.00 0.00 6.71 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 6.63 4.98 0.00 2.65 2.53 0.00 0.00 7.08 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 9.40 4.97 0.00 3.37 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.26 0.00 1.79 1.95 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.49 7.81 47 S 8.12 4.87 0.00 3.98 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 48 A 8.13 3.46 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.75 0.00 1.98 1.92 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 2.33 2.36 0.00 50 D 7.68 4.30 0.00 3.06 2.85 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 51 C 7.63 2.45 0.00 2.72 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 52 M 7.77 3.88 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.48 0.00 53 R 7.55 3.76 0.00 1.80 1.92 0.00 3.24 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 1.60 1.63 0.00 54 T 7.84 4.00 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 1.55 0.00 0.00 55 C 8.05 4.50 0.00 2.76 2.22 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 0.00 56 G 7.97 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00