NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2931 8.2493 123.5816 52.1148 19.4024 176.4096 2 S 4.3556 8.3770 117.6270 56.6069 64.5643 169.6242 3 V 3.7471 8.4408 123.7401 62.0561 30.6465 176.2399 4 A 4.6508 8.0146 128.8425 50.3878 21.6490 177.0874 5 T 4.3882 7.8306 109.5901 59.6701 67.9478 176.3948 6 E 4.6639 7.3276 115.0063 56.9190 30.5838 174.6530 7 L 4.5002 8.3507 123.8096 56.9830 43.8889 178.2321 8 R 4.0832 8.3544 115.6820 59.5946 30.0119 177.1792 9 C 4.3073 7.9516 112.5481 60.3596 28.5555 173.5195 10 Q 4.4877 8.2019 118.4916 56.4881 29.8909 175.8383 11 C 3.5317 7.5224 111.2940 56.7310 30.0232 173.7589 12 L 4.1472 8.2330 125.7951 55.8141 41.8981 178.5426 13 Q 4.3569 8.0025 114.9720 58.5126 30.8032 176.3893 14 T 3.4807 8.1436 101.8382 62.9014 67.3372 172.0105 15 L 4.2772 9.1642 131.6474 55.0175 42.8085 177.4890 16 Q 4.4872 8.3148 120.9108 55.0851 27.1401 174.9424 17 G 3.7686 7.7491 109.4002 45.7185 0.0000 171.5209 18 I 4.1556 7.6008 118.2888 60.3231 40.1507 175.2096 19 H 4.9139 8.4328 119.4694 54.5376 32.0162 172.9087 20 P 4.8275 0.0000 0.0000 60.8214 30.2213 176.5201 21 K 4.3049 9.0982 120.1714 56.8295 31.6204 175.7608 22 N 4.5219 7.7576 114.1526 55.2489 39.4185 174.1432 23 I 3.9855 7.6325 121.1346 62.3647 36.6369 174.9092 24 Q 4.5575 8.8748 128.9476 56.8030 31.3145 174.6695 25 S 4.7355 7.6979 111.9928 58.2036 66.2722 173.2658 26 V 5.0353 8.0047 117.3702 61.1474 33.8896 172.9646 27 N 5.2560 9.8753 120.1328 51.3995 42.4301 173.9144 28 V 5.3550 8.3335 121.0411 58.8388 33.9602 174.6205 29 K 4.6925 8.4147 125.6217 54.3061 36.0029 175.1758 30 S 4.8995 8.5620 119.9333 56.9190 63.9097 171.5255 31 P 4.6412 0.0000 0.0000 63.0444 32.3405 175.5795 32 G 4.2055 8.3975 116.5488 46.7012 0.0000 175.9099 33 P 4.5427 0.0000 0.0000 61.5817 33.4152 176.8627 34 H 4.2452 8.4631 112.3406 58.9998 28.5874 176.2505 35 C 4.3077 8.7226 113.7848 59.7686 29.5668 174.0424 36 A 3.8908 7.7506 121.3280 52.6343 16.6500 175.5485 37 Q 4.6151 7.5058 119.1670 55.4240 32.9981 175.5984 38 T 4.6367 8.0827 117.0038 63.9370 69.4748 173.1322 39 E 4.6795 8.3706 119.6843 56.1166 34.4573 176.2188 40 V 5.1437 8.0774 115.7747 60.5551 33.7877 171.8887 41 I 4.7261 8.8842 123.3484 59.7177 39.5298 175.4626 42 A 4.8679 9.4017 131.5656 51.0028 19.9837 176.4532 43 T 4.5483 8.7279 120.9799 64.0150 69.6173 175.0600 44 L 4.3865 9.1130 127.0226 54.1241 42.6896 178.1749 45 K 4.1310 8.7221 122.3381 59.0488 32.1014 177.7890 46 N 4.5142 8.0328 112.3783 53.4460 37.2666 174.7348 47 G 3.7678 8.4313 107.2084 46.8888 0.0000 173.3096 48 R 4.9912 7.1398 117.5036 54.3999 33.6403 175.3562 49 K 5.1940 8.3345 116.4035 56.5404 35.4298 175.0727 50 A 4.8076 8.9271 122.4617 50.6532 23.1849 174.4013 51 C 5.9269 8.8742 118.6195 56.9295 34.8830 172.4391 52 L 5.2425 8.2315 122.7536 54.2156 44.1226 176.1381 53 N 4.6978 8.6474 117.3587 51.0493 37.4248 174.4805 54 P 4.1887 0.0000 0.0000 65.2735 31.7076 178.2017 55 A 4.0676 7.9749 121.1018 54.7494 18.7703 178.4489 56 S 4.3055 8.1507 110.5282 57.6007 64.1393 173.2628 57 P 4.2049 0.0000 0.0000 66.2049 31.8036 178.2814 58 I 3.8179 7.7762 120.1706 63.8612 37.0997 178.4598 59 V 3.5885 7.7050 118.3056 65.7733 31.4415 177.6736 60 K 3.9516 8.1715 119.2493 58.8940 31.5620 178.7565 61 K 3.8813 7.9611 120.1693 59.7758 32.2655 178.5203 62 I 3.6629 7.5136 119.9737 64.7716 36.9202 178.3151 63 I 3.7113 7.6368 119.6366 64.4767 37.1043 178.1257 64 E 3.9377 7.9193 118.9984 59.2738 28.7116 179.4868 65 K 3.9168 9.1067 120.5634 59.8712 32.1075 178.7231 66 M 4.3051 7.8814 117.6352 58.5226 31.8909 178.5103 67 L 4.1585 7.9135 118.5891 56.0756 41.9758 178.6437 68 N 4.2364 8.6123 116.5242 52.8127 39.6831 175.6786 69 S 3.5788 5.8100 110.0149 59.1101 61.4716 169.6331 70 D 4.9123 7.5090 121.8276 52.3077 43.7137 176.5221 71 K 3.9502 8.6391 118.2955 59.2512 32.2283 177.2399 72 S 4.1062 8.0226 116.0961 58.7107 63.1829 170.5287 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 A 8.25 4.29 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.38 4.36 0.00 4.06 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 3 V 8.44 3.75 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 0.74 0.00 0.00 0.92 0.00 0.00 4 A 8.01 4.65 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 4.39 4.25 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 1.21 0.00 0.00 6 E 7.33 4.66 0.00 2.04 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 0.00 2.13 2.27 0.00 7 L 8.35 4.50 0.00 1.57 1.68 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.35 4.08 0.00 1.87 2.05 0.00 3.39 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 1.74 1.67 0.00 9 C 7.95 4.31 0.00 2.97 2.89 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 10 Q 8.20 4.49 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 11 C 7.52 3.53 0.00 3.09 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.15 0.00 1.66 1.70 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.00 4.36 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.27 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 14 T 8.14 3.48 4.36 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 1.23 0.00 0.00 15 L 9.16 4.28 0.00 1.62 1.63 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.31 4.49 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 17 G 7.75 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 4.16 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.92 0.00 0.00 19 H 8.43 4.91 0.00 3.12 3.22 0.00 5.92 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.83 0.00 2.14 1.12 0.00 3.79 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 21 K 9.10 4.30 0.00 1.85 2.01 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.46 7.81 22 N 7.76 4.52 0.00 2.78 2.83 0.00 0.00 7.08 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 23 I 7.63 3.99 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.33 0.89 0.00 0.00 24 Q 8.87 4.56 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.45 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 25 S 7.70 4.74 0.00 3.89 3.93 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 26 V 8.00 5.04 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 0.73 0.00 0.00 0.95 0.00 0.00 27 N 9.88 5.26 0.00 2.50 2.70 0.00 0.00 6.79 7.56 0.00 0.00 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 V 8.33 5.36 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 0.92 0.00 0.00 1.00 0.00 0.00 29 K 8.41 4.69 0.00 1.85 1.84 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.45 7.81 30 S 8.56 4.90 0.00 3.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.64 0.00 2.11 2.17 0.00 3.53 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 32 G 8.40 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 33 P 0.00 4.54 0.00 1.99 2.13 0.00 3.69 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 2.03 1.90 0.00 34 H 8.46 4.25 0.00 3.26 3.51 0.00 5.55 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.72 4.31 0.00 3.13 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 3.89 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.51 4.62 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.96 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 38 T 8.08 4.64 4.24 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 1.27 0.00 0.00 39 E 8.37 4.68 0.00 1.98 1.81 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 2.23 2.29 0.00 40 V 8.08 5.14 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 0.77 0.00 0.00 0.99 0.00 0.00 41 I 8.88 4.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.92 0.91 0.00 0.00 42 A 9.40 4.87 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 43 T 8.73 4.55 4.24 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 1.24 0.00 0.00 44 L 9.11 4.39 0.00 1.47 1.58 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.72 4.13 0.00 1.71 1.85 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.63 7.81 46 N 8.03 4.51 0.00 2.85 2.92 0.00 0.00 6.15 7.00 0.00 0.00 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 G 8.43 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.14 4.99 0.00 1.90 1.87 0.00 3.27 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 49 K 8.33 5.19 0.00 1.68 1.72 0.00 1.41 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 50 A 8.93 4.81 1.21 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 51 C 8.87 5.93 0.00 3.07 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 5.24 0.00 1.61 1.64 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.65 4.70 0.00 2.89 2.82 0.00 0.00 7.18 7.83 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 54 P 0.00 4.19 0.00 2.17 2.19 0.00 3.74 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 1.99 1.97 0.00 55 A 7.97 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.15 4.31 0.00 3.96 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 57 P 0.00 4.20 0.00 2.26 2.15 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 58 I 7.78 3.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.41 0.94 0.00 0.00 59 V 7.70 3.59 2.26 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 0.99 0.00 0.00 0.99 0.00 0.00 60 K 8.17 3.95 0.00 2.09 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.59 7.81 61 K 7.96 3.88 0.00 1.90 1.79 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 62 I 7.51 3.66 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.61 0.94 0.00 0.00 63 I 7.64 3.71 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.51 0.91 0.00 0.00 64 E 7.92 3.94 0.00 2.09 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 2.33 2.32 0.00 65 K 9.11 3.92 0.00 1.65 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 66 M 7.88 4.31 0.00 2.03 2.41 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 67 L 7.91 4.16 0.00 1.78 1.73 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.61 4.24 0.00 2.69 2.67 0.00 0.00 7.19 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 5.81 3.58 0.00 4.19 3.83 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 70 D 7.51 4.91 0.00 2.70 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 71 K 8.64 3.95 0.00 1.72 1.87 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.49 7.81 72 S 8.02 4.11 0.00 3.99 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