NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4369 8.2931 118.1942 55.2073 32.4875 173.6900 2 G 4.0870 8.2108 107.4324 42.0901 0.0000 170.1887 3 S 4.8385 8.3207 113.8853 56.0935 66.0982 171.8903 4 I 4.5954 8.0416 114.9093 59.0087 40.4066 173.8475 5 N 4.8425 8.5779 119.5612 51.7158 40.1860 173.7093 6 L 4.8025 8.3867 126.7050 53.2010 44.7195 175.5936 7 R 4.5806 8.4111 122.8331 54.5119 33.1450 174.4695 8 I 4.7164 8.0259 114.9907 57.7556 41.2228 174.7017 9 D 4.4118 8.4389 119.6302 54.2758 42.6379 176.3012 10 D 4.3301 8.7520 125.5741 57.3805 41.3023 178.3412 11 E 3.9893 8.4558 118.3553 59.1670 29.5113 179.0135 12 L 4.0701 7.7883 120.7971 57.7008 42.3289 178.2998 13 K 3.9599 8.0748 119.4377 59.5441 31.9846 178.3961 14 A 3.9720 8.0325 120.8049 55.2920 18.3740 179.8555 15 R 3.8789 7.6093 115.0065 59.4250 30.1673 179.0880 16 S 4.1126 8.2671 112.8196 61.8944 62.4304 175.8027 17 Y 3.9129 8.6267 119.1132 60.9545 37.0637 178.5855 18 A 4.0297 8.2966 121.5140 55.0887 18.3537 179.5909 19 A 3.9778 8.1661 119.4585 55.2480 18.4564 179.9041 20 L 3.9639 7.9584 118.7471 58.7966 40.2355 179.1667 21 E 4.0168 8.4947 118.5112 58.4692 29.3705 179.0925 22 K 4.0638 7.5338 118.6639 59.8695 33.0553 178.4604 23 M 4.3055 7.7074 117.7610 55.5759 32.0263 177.3034 24 G 3.8856 7.5154 107.1044 45.3929 0.0000 173.3508 25 V 4.1857 7.6116 119.5182 59.6837 32.8408 176.2689 26 T 3.9728 8.3423 121.7160 62.6586 69.3453 173.0510 27 P 3.9693 0.0000 0.0000 66.4917 31.0716 178.8167 28 S 4.1371 8.1275 114.4794 61.1438 62.5887 176.5992 29 E 3.9716 8.2448 120.9568 59.1764 29.2568 178.8354 30 A 3.9807 7.8961 120.2830 55.3270 18.4221 179.5661 31 L 3.9755 7.9874 117.4138 57.5713 41.5146 179.5950 32 R 3.8782 7.7597 118.6117 59.4301 29.9649 178.6298 33 L 4.8906 8.0976 120.5639 58.1242 40.4872 178.8783 34 M 4.3322 7.7986 119.6851 58.7519 32.3496 178.1518 35 L 3.8982 7.9479 119.0026 57.4515 41.6443 179.4995 36 E 3.9490 7.8549 118.9972 59.6020 29.3951 178.9379 37 Y 4.2176 7.7571 117.7748 59.9196 38.0090 177.8766 38 I 3.3901 7.0237 120.3033 63.6820 37.8097 177.7717 39 A 3.9156 7.4998 120.2926 55.0185 18.2478 178.7125 40 D 4.4250 7.9928 115.6418 57.0618 41.4964 177.6926 41 N 4.5294 8.4897 116.0098 53.3822 39.7122 175.1618 42 E 3.9461 8.3457 118.6473 56.6805 27.8179 174.7253 43 R 4.5948 7.8454 111.7047 56.1036 35.6317 173.3538 44 L 4.1691 8.1493 121.6730 52.9975 41.5926 172.5722 45 P 4.0150 0.0000 0.0000 65.3391 31.2262 177.0075 46 F 4.6407 7.7813 119.8519 55.9045 41.1945 173.6624 47 K 4.5955 8.6011 126.6723 56.4016 33.1552 177.0372 48 Q 4.1351 8.2806 117.1717 58.0727 28.7167 176.0889 49 T 4.3961 8.3594 108.7685 60.7293 69.3618 174.2366 50 L 3.9807 7.9109 127.3091 55.7638 41.6546 174.2385 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 4.44 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 2 G 8.21 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.32 4.84 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 4.60 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.91 0.00 0.00 5 N 8.58 4.84 0.00 2.69 2.75 0.00 0.00 6.76 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 6 L 8.39 4.80 0.00 1.63 1.53 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.41 4.58 0.00 1.78 1.78 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 1.52 1.59 0.00 8 I 8.03 4.72 1.90 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 1.32 0.98 0.95 0.00 0.00 9 D 8.44 4.41 0.00 2.74 2.58 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 10 D 8.75 4.33 0.00 2.80 2.63 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 0.00 0.00 0.00 0.00 11 E 8.46 3.99 0.00 2.25 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 2.56 2.32 0.00 12 L 7.79 4.07 0.00 1.80 1.88 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.07 3.96 0.00 1.84 1.93 0.00 1.39 0.00 0.00 0.94 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.93 1.31 7.81 14 A 8.03 3.97 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 15 R 7.61 3.88 0.00 2.15 2.02 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 16 S 8.27 4.11 0.00 3.97 4.18 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 17 Y 8.63 3.91 0.00 3.17 3.04 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 18 A 8.30 4.03 1.46 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 19 A 8.17 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.96 3.96 0.00 2.01 1.86 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.49 4.02 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 22 K 7.53 4.06 0.00 1.98 2.13 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.48 7.81 23 M 7.71 4.31 0.00 1.95 2.27 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 24 G 7.52 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 25 V 7.61 4.19 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 0.90 0.00 0.00 26 T 8.34 3.97 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 1.24 0.00 0.00 27 P 0.00 3.97 0.00 2.05 1.58 0.00 3.69 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 2.09 2.13 0.00 28 S 8.13 4.14 0.00 3.88 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 29 E 8.24 3.97 0.00 2.15 1.97 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 2.31 2.45 0.00 30 A 7.90 3.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.98 0.00 1.66 1.71 0.93 0.64 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 32 R 7.76 3.88 0.00 2.06 2.12 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 33 L 8.10 4.89 0.00 2.00 2.01 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 34 M 7.80 4.33 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 35 L 7.95 3.90 0.00 1.88 1.64 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.85 3.95 0.00 2.17 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 2.57 0.00 37 Y 7.76 4.22 0.00 3.11 3.20 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 0.00 0.00 0.00 0.00 38 I 7.02 3.39 1.34 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 1.31 1.34 0.70 0.00 0.00 39 A 7.50 3.92 1.35 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 0.00 0.00 40 D 7.99 4.43 0.00 2.70 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 41 N 8.49 4.53 0.00 2.95 2.91 0.00 0.00 7.35 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.35 3.95 0.00 2.05 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 2.24 2.30 0.00 43 R 7.85 4.59 0.00 1.85 1.97 0.00 3.10 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 44 L 8.15 4.17 0.00 1.88 1.85 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.02 0.00 2.14 2.03 0.00 3.96 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 46 F 7.78 4.64 0.00 3.08 3.04 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 47 K 8.60 4.60 0.00 1.89 1.93 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.46 7.81 48 Q 8.28 4.14 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.52 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 49 T 8.36 4.40 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 1.28 0.00 0.00 50 L 7.91 3.98 0.00 1.81 1.71 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00