NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5642 8.3644 120.5321 53.6560 42.3187 173.9935 3 K 3.7563 8.4829 121.0028 57.0530 32.3696 175.8703 4 C 5.0045 8.5458 122.5306 55.9385 47.8287 172.1077 5 K 5.3811 8.0394 117.5886 56.0019 34.3812 176.1273 6 K 4.6225 8.8979 122.2659 55.4220 36.1317 175.7664 7 V 4.1827 8.4953 118.4469 61.3578 32.3768 175.5312 8 Y 4.4193 9.0365 126.5650 57.1245 38.9675 177.9504 9 E 4.3918 8.9806 132.2354 54.8288 28.6404 177.9740 10 N 4.4440 8.6893 119.8500 54.0733 42.6016 173.9970 11 Y 4.0667 7.4436 121.6053 56.0308 41.2888 171.4310 12 P 4.1677 0.0000 0.0000 61.6570 31.0362 175.9386 13 V 3.7240 8.2821 124.5252 62.6300 30.5930 175.3410 14 S 4.2722 8.6092 119.9832 61.2639 65.9514 178.2277 15 K 4.1109 8.0416 111.1557 58.4948 27.9380 172.5568 16 C 4.8654 7.9232 118.1799 56.9438 42.1505 174.1568 17 Q 4.6138 8.3172 119.8146 55.6918 31.0348 174.7166 18 L 4.3313 7.6252 114.8607 53.7270 45.7900 175.5111 19 A 4.3493 8.4984 127.3204 52.3687 15.6582 175.0925 20 N 4.9526 7.3403 120.0492 52.0863 44.8699 175.8707 21 Q 3.8116 7.5658 115.1620 61.0019 29.1953 180.1939 22 C 4.0318 8.0403 115.6799 60.7478 40.8237 174.7024 23 N 4.3288 8.3640 118.8107 55.8633 37.9924 175.3693 24 Y 4.2405 8.7236 123.8885 61.4771 39.2937 178.2592 25 D 3.6980 7.7907 119.1408 57.6262 40.8328 178.0568 26 C 3.9960 8.4194 116.7273 59.9504 40.1193 176.0554 27 K 4.2434 7.7212 118.0858 56.9227 31.5480 175.2579 28 L 4.5416 7.0185 120.1923 56.7602 48.7683 176.3818 29 D 4.3828 9.8095 117.2869 56.5504 40.7933 176.7609 30 K 4.2973 7.0109 118.6910 57.6001 33.2961 175.6315 31 H 3.9686 8.1571 111.1643 56.6165 26.5314 175.0277 32 A 3.4803 7.5036 122.6195 51.2866 19.8755 178.7964 33 R 4.3030 7.7023 116.8345 58.1209 31.4342 177.2840 34 S 4.5356 8.2364 111.1863 58.2564 66.7150 175.5820 35 G 4.2092 8.9159 107.5117 46.1345 0.0000 170.9733 36 E 4.7294 8.6243 118.2014 55.8635 33.9929 175.0156 37 C 5.0585 10.3659 122.4396 56.2592 41.3005 172.8414 38 F 4.6481 8.9907 123.3395 56.3848 40.6343 176.4958 39 Y 5.2427 8.8218 120.3396 58.2718 40.4369 175.0415 40 D 4.6211 9.0537 110.6351 56.6008 40.3105 175.8717 41 E 3.7176 8.1659 122.0295 57.7804 29.2436 177.4527 42 K 4.5405 8.0388 120.0789 56.6789 36.0707 176.4952 43 R 4.1912 9.0781 117.1691 56.6984 27.6843 175.6275 44 N 5.0416 8.2807 112.7390 51.3355 42.4762 174.8215 45 L 4.3856 8.2772 124.3704 55.2477 42.3315 176.2297 46 Q 4.4911 8.7861 118.3904 54.4373 33.7708 174.0075 47 C 4.8814 8.8507 123.1260 56.8513 42.5820 170.6305 48 I 4.4359 8.8855 125.7967 60.3250 38.4461 174.0208 49 C 4.8751 9.0102 125.9766 55.7132 42.5890 172.5363 50 D 5.4012 9.3866 125.5599 53.4793 41.7828 177.0482 51 Y 4.2042 9.0810 120.4510 59.4239 39.1958 176.5272 52 C 4.3148 8.5787 115.1307 58.4489 41.2189 170.9608 53 E 3.6528 8.2920 127.5812 55.6682 27.9066 173.2247 54 Y 4.2612 8.6193 125.5463 57.8527 38.8632 175.3988 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 2 D 8.36 4.56 0.00 2.65 2.71 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 3 K 8.48 3.76 0.00 1.76 1.69 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.46 7.81 4 C 8.55 5.00 0.00 3.02 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 5.38 0.00 1.83 1.75 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.62 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.35 7.81 6 K 8.90 4.62 0.00 1.81 1.88 0.00 1.23 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 7 V 8.50 4.18 2.11 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 0.76 0.00 0.00 0.97 0.00 0.00 8 Y 9.04 4.42 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.98 4.39 0.00 2.08 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 2.46 2.43 0.00 10 N 8.69 4.44 0.00 2.62 2.41 0.00 0.00 6.62 7.32 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 11 Y 7.44 4.07 0.00 2.31 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 1.98 1.85 0.00 2.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.54 0.00 13 V 8.28 3.72 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 0.83 0.00 0.00 0.92 0.00 0.00 14 S 8.61 4.27 0.00 3.92 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 15 K 8.04 4.11 0.00 1.93 2.40 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.42 7.81 16 C 7.92 4.87 0.00 3.08 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 17 Q 8.32 4.61 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 18 L 7.63 4.33 0.00 1.60 1.53 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.50 4.35 1.26 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 20 N 7.34 4.95 0.00 2.75 2.68 0.00 0.00 6.75 7.16 0.00 0.00 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 Q 7.57 3.81 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.80 0.00 0.00 0.00 0.00 0.00 2.84 2.91 0.00 22 C 8.04 4.03 0.00 2.93 3.02 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 23 N 8.36 4.33 0.00 2.80 2.84 0.00 0.00 7.47 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 24 Y 8.72 4.24 0.00 2.85 3.25 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 25 D 7.79 3.70 0.00 2.63 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.42 4.00 0.00 2.91 2.92 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 0.00 0.00 0.00 27 K 7.72 4.24 0.00 1.84 2.06 0.00 1.70 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.41 7.81 28 L 7.02 4.54 0.00 1.72 1.57 0.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 9.81 4.38 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.01 4.30 0.00 1.37 1.61 0.00 1.63 0.00 0.00 1.26 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.77 0.98 7.81 31 H 8.16 3.97 0.00 3.25 3.33 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.50 3.48 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 4.30 0.00 1.77 1.96 0.00 3.26 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 34 S 8.24 4.54 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 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 0.00 0.00 0.00 0.00 36 E 8.62 4.73 0.00 2.13 1.79 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 2.07 2.21 0.00 37 C 10.37 5.06 0.00 2.77 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 F 8.99 4.65 0.00 3.04 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 39 Y 8.82 5.24 0.00 2.95 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 40 D 9.05 4.62 0.00 2.82 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 41 E 8.17 3.72 0.00 2.20 2.41 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 2.26 2.30 0.00 42 K 8.04 4.54 0.00 1.99 1.93 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.40 7.81 43 R 9.08 4.19 0.00 1.93 2.29 0.00 3.24 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 44 N 8.28 5.04 0.00 2.84 2.67 0.00 0.00 6.85 6.66 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 45 L 8.28 4.39 0.00 1.33 0.71 0.80 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.79 4.49 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 47 C 8.85 4.88 0.00 2.72 2.87 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 48 I 8.89 4.44 2.14 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.86 0.00 0.00 49 C 9.01 4.88 0.00 3.08 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 50 D 9.39 5.40 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.08 4.20 0.00 2.86 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 52 C 8.58 4.31 0.00 3.02 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 53 E 8.29 3.65 0.00 2.11 1.99 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 2.25 2.32 0.00 54 Y 8.62 4.26 0.00 2.99 2.83 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