NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3977 8.2549 119.7081 55.8628 31.7373 175.8673 2 R 4.3250 7.5594 115.6071 55.6946 32.1171 174.5869 3 S 4.0822 9.3335 112.0547 58.6943 61.6511 170.6027 4 R 4.2994 7.3577 117.5226 58.0783 30.1176 177.6083 5 K 4.2332 7.9937 116.9762 57.3986 32.6882 175.4672 6 N 5.1474 7.1223 115.2517 50.6270 38.1608 172.8541 7 G 4.4553 7.9035 118.4712 44.3566 0.0000 172.1983 8 I 4.2213 7.2863 118.6361 61.8951 39.6200 177.6422 9 G 3.6428 7.5956 107.0464 47.5927 0.0000 175.3351 10 Y 4.2119 8.0430 119.5293 59.7556 38.1306 177.7771 11 A 3.3446 6.6418 122.0029 54.9451 18.5171 179.3506 12 I 3.8352 7.4432 116.8206 64.1032 37.9949 178.3749 13 G 3.8635 8.4562 106.9615 47.4957 0.0000 175.2954 14 Y 4.1051 8.6111 122.1045 60.5494 38.7817 177.6010 15 A 3.7627 8.2230 121.6759 55.0786 18.6104 179.4012 16 F 4.1919 8.7845 119.6551 61.6156 39.5338 177.6335 17 G 3.9678 8.5584 105.3614 47.3762 0.0000 175.5041 18 A 3.8789 7.4445 121.8653 55.3971 18.6143 179.8714 19 V 3.7216 7.5838 110.8208 64.5623 31.5590 178.7791 20 E 4.1668 8.9154 118.8314 59.1782 29.0184 179.3394 21 R 3.8931 7.8829 117.7244 59.3967 30.4288 178.5423 22 A 4.1071 7.6786 118.9568 55.0839 18.0899 179.8935 23 V 3.5908 7.5778 115.6979 65.6172 31.7156 177.0545 24 L 4.5501 7.6323 116.5704 55.1534 41.6207 177.9568 25 G 3.5833 7.8923 108.1791 47.7933 0.0000 175.5018 26 G 3.7099 7.2751 110.5786 44.7427 0.0000 176.6610 27 S 4.1533 8.0748 120.1779 58.3428 67.8891 174.9915 28 R 3.6961 8.5161 115.2620 58.3992 26.3429 175.2903 29 D 4.4978 7.3803 115.1156 54.5495 43.7230 175.4465 30 Y 4.5158 6.9117 117.3185 59.2734 40.4208 174.0440 31 N 4.1721 9.1648 114.7911 55.5715 36.5889 174.7189 32 K 4.2121 8.1833 122.5188 56.8600 33.1667 174.6565 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 4.40 0.00 1.80 2.03 0.00 3.21 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 2 R 7.56 4.33 0.00 1.90 1.84 0.00 3.18 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 3 S 9.33 4.08 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.36 4.30 0.00 1.95 1.98 0.00 3.38 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 5 K 7.99 4.23 0.00 1.83 1.87 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.46 7.81 6 N 7.12 5.15 0.00 2.76 2.77 0.00 0.00 6.87 7.58 0.00 0.00 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 G 7.90 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.29 4.22 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.25 0.91 0.00 0.00 9 G 7.60 3.64 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 0.00 0.00 0.00 10 Y 8.04 4.21 0.00 3.23 3.28 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 0.00 0.00 0.00 0.00 11 A 6.64 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.44 3.84 1.89 0.00 0.00 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 1.57 1.33 1.05 0.00 0.00 13 G 8.46 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.61 4.11 0.00 3.27 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 3.76 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.78 4.19 0.00 3.17 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 17 G 8.56 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 0.00 0.00 0.00 18 A 7.44 3.88 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 19 V 7.58 3.72 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 0.95 0.00 0.00 1.08 0.00 0.00 20 E 8.92 4.17 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 21 R 7.88 3.89 0.00 1.94 1.99 0.00 3.17 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 22 A 7.68 4.11 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 23 V 7.58 3.59 2.27 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 0.94 0.00 0.00 0.99 0.00 0.00 24 L 7.63 4.55 0.00 1.64 1.64 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.89 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.28 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.07 4.15 0.00 3.79 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 28 R 8.52 3.70 0.00 1.89 1.94 0.00 3.20 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 29 D 7.38 4.50 0.00 2.06 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.91 4.52 0.00 2.97 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 31 N 9.16 4.17 0.00 2.94 3.01 0.00 0.00 6.81 6.71 0.00 0.00 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 K 8.18 4.21 0.00 1.95 1.79 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.43 7.81