NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.4413 8.1927 115.4118 57.7875 64.6852 174.2775 13 L 3.8632 8.3042 121.1187 57.4123 41.7345 176.9632 14 R 3.8898 8.7806 119.5077 59.5438 30.4291 177.7559 15 E 3.9994 8.0962 118.1968 59.1267 29.2715 178.9953 16 C 4.1041 7.6452 117.6204 62.4370 31.7306 175.1689 17 E 3.9792 8.3236 120.3701 59.4335 29.1219 179.0726 18 L 3.9373 8.1400 120.1769 58.3914 42.1273 178.0471 19 Y 3.9827 8.1535 119.3834 60.9878 38.7050 178.3704 20 V 3.6928 8.3119 119.1801 66.1130 31.5483 177.8407 21 Q 3.8872 8.2832 119.0489 59.2511 28.8191 177.9782 22 K 3.8890 8.2781 118.3783 59.2642 32.0823 178.0333 23 H 4.5452 7.8759 113.3764 54.3669 29.1596 174.4640 24 N 4.2648 8.0338 117.1225 54.0296 36.9540 176.6100 25 I 3.7559 7.7323 120.8541 64.7207 37.1122 177.5772 26 Q 3.9531 8.0946 119.2854 59.3084 28.9721 178.0553 27 A 4.0413 7.9999 121.2418 54.8979 18.2548 179.0130 28 L 4.0110 8.0362 118.8323 58.4649 42.2816 179.2781 29 L 4.2009 8.3295 119.0352 57.7451 41.5778 179.2036 30 K 3.8420 8.4467 119.9620 59.9429 32.1555 178.3357 31 D 4.3920 8.5782 119.5193 57.4428 40.6998 179.0292 32 S 2.8748 7.6550 114.6888 60.9099 62.8734 176.6457 33 I 3.7053 7.5410 123.3958 63.7735 36.6414 178.3110 34 V 3.5483 7.8862 119.3139 66.1957 31.3618 178.1033 35 Q 4.0425 7.8879 117.3720 58.9585 28.5317 178.5067 36 L 3.2789 7.8823 121.3038 58.2546 41.8286 178.7666 37 C 4.1920 8.1017 115.6657 62.1958 28.0895 175.8178 38 T 4.0765 7.1723 116.7772 66.2638 68.3579 176.5932 39 A 3.9647 7.7518 121.3886 53.5157 19.7736 177.9320 40 R 3.4833 7.7910 114.1084 56.6670 27.9483 174.2594 41 P 4.4832 0.0000 0.0000 62.0997 32.6577 177.4700 42 E 4.1266 8.6392 117.1738 58.4097 30.3148 177.3936 43 R 4.5891 7.5398 118.9028 52.6038 30.6412 173.5901 44 P 4.2935 0.0000 0.0000 65.8376 31.5845 177.6311 45 M 4.1103 8.1030 116.4281 58.5034 31.9892 178.4668 46 A 4.0344 8.0985 120.3511 55.0695 18.4358 179.3986 47 F 4.0251 8.1746 118.7644 61.4735 39.5556 177.4699 48 L 4.0515 8.3617 118.7255 57.7474 41.3582 179.1109 49 R 4.0058 8.4003 118.9773 59.9648 30.0910 178.3006 50 E 3.8946 8.3224 117.9424 59.3331 29.3012 178.5811 51 Y 3.6634 8.3462 120.3194 60.9332 38.7145 178.5334 52 F 4.1877 8.6798 118.7389 59.9845 39.0439 177.2505 53 E 3.8900 8.5703 119.7126 59.3043 29.0885 178.9824 54 K 3.8210 7.5135 117.7774 59.5870 32.4640 178.5642 55 L 4.1780 7.3941 119.0535 57.4373 41.4543 178.9682 56 E 3.9836 9.0133 120.5382 59.4845 29.4064 179.1730 57 K 4.2413 7.9085 116.8771 58.5465 32.1276 177.9701 58 E 4.4496 7.5282 115.5414 56.4554 30.1071 177.0048 59 E 4.1146 8.5539 121.1766 58.2163 29.9354 175.7956 60 A 4.3343 7.8391 124.9209 52.1309 19.4246 175.7690 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 12 S 8.19 4.44 0.00 4.02 4.10 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 13 L 8.30 3.86 0.00 1.86 1.70 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.78 3.89 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 15 E 8.10 4.00 0.00 2.19 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 2.35 2.33 0.00 16 C 7.65 4.10 0.00 3.03 3.13 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 17 E 8.32 3.98 0.00 2.20 2.02 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 2.35 2.56 0.00 18 L 8.14 3.94 0.00 1.85 1.94 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.15 3.98 0.00 3.24 3.09 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 20 V 8.31 3.69 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.06 0.00 0.00 21 Q 8.28 3.89 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 22 K 8.28 3.89 0.00 1.79 1.70 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.62 7.81 23 H 7.88 4.55 0.00 2.67 3.09 0.00 5.81 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.03 4.26 0.00 2.92 2.88 0.00 0.00 7.00 7.52 0.00 0.00 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 I 7.73 3.76 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.99 0.00 0.00 26 Q 8.09 3.95 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 27 A 8.00 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.01 0.00 1.94 2.08 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.33 4.20 0.00 1.78 1.77 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.45 3.84 0.00 1.84 2.07 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 31 D 8.58 4.39 0.00 2.96 2.82 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 32 S 7.66 2.87 0.00 2.87 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 3.71 1.94 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 1.68 0.90 0.88 0.00 0.00 34 V 7.89 3.55 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 1.03 0.00 0.00 0.92 0.00 0.00 35 Q 7.89 4.04 0.00 2.31 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.65 2.82 0.00 36 L 7.88 3.28 0.00 1.80 1.68 0.72 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.10 4.19 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.17 4.08 4.38 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 1.21 0.00 0.00 39 A 7.75 3.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 3.48 0.00 1.79 1.85 0.00 3.12 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 41 P 0.00 4.48 0.00 2.22 2.05 0.00 3.30 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.36 0.00 42 E 8.64 4.13 0.00 2.10 2.13 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 2.28 2.34 0.00 43 R 7.54 4.59 0.00 1.87 1.90 0.00 3.34 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 44 P 0.00 4.29 0.00 2.18 2.11 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 45 M 8.10 4.11 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 46 A 8.10 4.03 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 47 F 8.17 4.03 0.00 3.24 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 48 L 8.36 4.05 0.00 1.92 2.01 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.40 4.01 0.00 1.99 2.21 0.00 3.28 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 50 E 8.32 3.89 0.00 1.99 1.84 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 2.29 2.41 0.00 51 Y 8.35 3.66 0.00 2.63 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.68 4.19 0.00 3.18 3.11 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 0.00 53 E 8.57 3.89 0.00 2.11 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 0.00 2.29 2.33 0.00 54 K 7.51 3.82 0.00 1.66 1.69 0.00 1.70 0.00 0.00 1.44 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.36 7.81 55 L 7.39 4.18 0.00 1.76 1.69 0.75 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.01 3.98 0.00 2.04 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 2.32 2.38 0.00 57 K 7.91 4.24 0.00 1.91 1.85 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.56 7.81 58 E 7.53 4.45 0.00 2.05 2.02 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 2.36 2.28 0.00 59 E 8.55 4.11 0.00 2.10 2.21 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 2.33 2.34 0.00 60 A 7.84 4.33 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