NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4979 8.2893 118.1957 55.0868 33.4170 176.5237 2 K 3.9301 8.2094 118.2182 58.7301 32.8072 175.6097 3 G 4.1255 8.0682 108.6799 46.1807 0.0000 173.1808 4 M 3.1769 7.9713 113.3062 56.4245 30.2251 178.4575 5 S 4.7948 7.6756 108.6626 57.6644 63.4452 174.6963 6 K 4.2743 7.6566 113.6044 58.1854 32.1658 178.6327 7 M 4.5093 7.7901 119.7601 53.0175 32.5001 172.8287 8 P 4.7407 0.0000 0.0000 61.4402 33.0764 175.8135 9 Q 4.5545 8.4160 116.0231 54.2450 30.9611 174.5201 10 F 4.9944 8.0264 115.8997 54.8401 41.1704 173.0572 11 N 4.8748 8.7768 119.8764 51.6868 40.9602 173.7917 12 L 4.8552 8.1271 124.0912 52.6466 45.3198 175.8318 13 R 4.6133 8.5600 117.9926 54.0933 31.4182 175.1692 14 W 5.2917 8.4283 121.2623 53.3507 33.0801 173.9613 15 P 4.3905 0.0000 0.0000 62.7350 32.6319 177.3784 16 R 3.9415 8.7697 121.6369 59.8911 29.8504 178.4413 17 E 3.9366 8.2483 117.4748 59.7844 29.4955 178.9880 18 V 3.6076 7.9292 117.6249 66.3318 31.5004 177.8338 19 L 4.3356 8.2427 118.7942 58.8156 40.3832 178.6742 20 D 4.3808 8.7038 120.1892 57.4613 40.8271 178.7574 21 L 3.9883 8.3820 120.8693 57.9479 42.0605 178.9662 22 V 3.6372 8.3202 118.7592 66.2183 31.4531 178.0808 23 R 3.9267 8.1678 117.6035 59.2580 29.9515 179.1313 24 K 3.9172 8.0241 118.0072 59.5766 32.1392 179.6782 25 V 3.5804 8.2401 118.5259 65.9538 31.4610 177.6448 26 A 4.1145 8.5839 120.8597 55.5110 18.1110 179.5633 27 E 3.9101 8.2733 116.8902 59.3600 29.3723 178.9104 28 E 3.9468 7.9641 118.3547 59.5479 29.8065 178.4789 29 N 4.5733 8.5988 115.0171 53.9303 38.6042 175.8044 30 G 3.8936 8.1918 108.2666 45.8659 0.0000 173.4968 31 R 4.4817 8.2101 115.8580 53.4949 31.9861 174.8401 32 S 3.8602 9.2026 118.0262 60.1417 62.9476 178.0788 33 V 2.7475 7.4846 123.2090 63.8167 34.7932 175.7908 34 N 4.2096 7.9555 117.9516 57.1101 38.7412 177.0509 35 S 4.1272 8.4954 114.6224 61.1562 62.5016 175.7221 36 E 4.2821 8.0220 122.8481 58.9824 29.4892 178.6541 37 I 3.7983 7.9084 119.8151 64.4768 37.1694 177.4264 38 Y 4.3585 8.1908 120.6225 61.2583 38.4869 178.6035 39 Q 3.9911 8.5676 118.1479 58.9227 28.8004 178.5910 40 R 3.8570 8.0704 120.2938 59.1765 30.1380 178.9394 41 V 3.2133 7.9265 118.3423 66.2893 31.2031 178.0193 42 M 4.0350 7.6200 117.2222 57.8836 32.1394 177.8378 43 E 4.0399 8.3314 120.0851 59.6851 29.7668 179.0396 44 S 4.0999 7.8796 114.7290 61.8598 62.6939 176.9163 45 F 4.7169 7.8048 118.9154 60.2918 38.5951 177.3911 46 K 4.1337 7.7464 117.4390 58.6982 32.4530 177.2283 47 K 4.4829 8.3649 119.4172 57.3487 32.2029 178.9147 48 E 3.7291 8.1415 118.3330 59.0316 29.9858 178.0309 49 G 3.7396 7.8972 108.3489 45.6244 0.0000 172.9536 50 R 3.5277 8.0302 128.0749 60.9239 27.8188 179.1670 51 I 3.3750 7.9259 105.7481 64.2180 35.2208 173.2210 52 G 4.2554 8.6834 124.2618 45.4615 0.0000 171.8100 53 A 4.3174 7.7114 127.0849 51.3598 19.2904 176.3087 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 M 8.29 4.50 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 2 K 8.21 3.93 0.00 1.95 1.99 0.00 1.40 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.56 7.81 3 G 8.07 4.13 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 0.00 4 M 7.97 3.18 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 5 S 7.68 4.79 0.00 3.95 3.90 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 6 K 7.66 4.27 0.00 1.79 1.89 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.43 7.81 7 M 7.79 4.51 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 8 P 0.00 4.74 0.00 2.33 2.10 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 9 Q 8.42 4.55 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 10 F 8.03 4.99 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.78 4.87 0.00 2.63 2.72 0.00 0.00 6.80 7.78 0.00 0.00 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 L 8.13 4.86 0.00 1.09 1.19 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.56 4.61 0.00 1.92 1.89 0.00 3.20 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 14 W 8.43 5.29 0.00 3.31 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 P 0.00 4.39 0.00 2.18 2.01 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 16 R 8.77 3.94 0.00 1.90 1.98 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 17 E 8.25 3.94 0.00 2.11 2.01 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 2.41 2.46 0.00 18 V 7.93 3.61 2.35 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 0.98 0.00 0.00 0.88 0.00 0.00 19 L 8.24 4.34 0.00 2.03 2.12 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.70 4.38 0.00 2.93 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 21 L 8.38 3.99 0.00 1.84 1.78 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.32 3.64 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.16 0.00 0.00 23 R 8.17 3.93 0.00 2.12 1.98 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 24 K 8.02 3.92 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 25 V 8.24 3.58 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 0.95 0.00 0.00 1.00 0.00 0.00 26 A 8.58 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 3.91 0.00 2.34 2.01 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 2.33 2.48 0.00 28 E 7.96 3.95 0.00 2.06 2.15 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 2.33 2.37 0.00 29 N 8.60 4.57 0.00 2.93 2.88 0.00 0.00 7.12 7.69 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 30 G 8.19 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 31 R 8.21 4.48 0.00 1.88 1.89 0.00 3.12 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 32 S 9.20 3.86 0.00 4.00 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 0.00 33 V 7.48 2.75 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 0.88 0.00 0.00 0.93 0.00 0.00 34 N 7.96 4.21 0.00 2.78 2.75 0.00 0.00 6.61 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.50 4.13 0.00 3.88 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 36 E 8.02 4.28 0.00 2.20 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 0.00 2.64 2.24 0.00 37 I 7.91 3.80 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.77 1.12 0.00 0.00 38 Y 8.19 4.36 0.00 3.12 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 39 Q 8.57 3.99 0.00 2.40 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.87 0.00 40 R 8.07 3.86 0.00 2.10 1.99 0.00 3.29 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 41 V 7.93 3.21 2.09 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 0.35 0.00 0.00 0.95 0.00 0.00 42 M 7.62 4.03 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 43 E 8.33 4.04 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 44 S 7.88 4.10 0.00 3.79 3.79 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 45 F 7.80 4.72 0.00 3.16 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 46 K 7.75 4.13 0.00 1.99 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.70 7.81 47 K 8.36 4.48 0.00 2.01 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.38 7.81 48 E 8.14 3.73 0.00 2.03 2.24 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 2.28 2.62 0.00 49 G 7.90 3.74 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 0.00 0.00 0.00 50 R 8.03 3.53 0.00 2.04 2.02 0.00 3.21 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 51 I 7.93 3.37 2.24 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.48 1.22 0.00 0.00 52 G 8.68 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.71 4.32 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