NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6838 8.4249 118.2181 52.3880 37.7075 173.4966 2 K 3.9728 8.0666 125.3839 55.7731 32.6371 175.1453 3 E 4.5158 7.0984 118.6095 54.8575 30.6001 175.0996 4 L 4.4881 7.4825 118.7482 55.9073 43.8974 172.9682 5 D 4.7001 7.8464 126.9903 52.6386 42.4999 175.4436 6 P 4.8269 0.0000 0.0000 61.1410 29.9764 175.6831 7 V 4.3616 7.2805 129.2806 62.2886 33.3828 174.3611 8 Q 4.0892 7.2263 121.6979 58.5093 28.4712 178.5426 9 K 3.9634 8.0919 119.8488 59.9179 32.3218 178.8215 10 L 3.9774 7.7738 119.9604 58.3348 40.2499 178.9963 11 F 3.7369 7.9956 121.6459 61.2182 39.1633 177.2212 12 V 3.1036 7.9643 117.2935 65.5415 30.8870 176.1651 13 D 4.8293 7.4582 115.7732 53.9450 41.3191 176.0332 14 K 4.4521 8.8682 122.2469 57.5182 34.0424 178.0763 15 I 3.9794 7.7876 111.2114 62.9870 37.9621 176.9868 16 R 4.6143 7.5737 119.2235 56.2315 30.0295 176.2112 17 E 4.6491 8.3442 119.1747 56.2415 31.2087 176.6318 18 Y 4.6045 8.4677 116.4444 58.5402 39.1467 177.4291 19 R 3.1894 7.5649 120.3864 58.6567 29.7208 178.1126 20 T 3.9190 7.8958 112.7366 65.0770 67.1007 176.0361 21 K 3.8562 7.9067 119.1590 59.5273 32.2722 179.1854 22 R 4.0208 7.3104 116.9996 59.2533 30.1353 178.0933 23 Q 3.8124 7.9577 119.6027 57.5883 28.7776 178.6954 24 T 3.5826 7.8955 109.0767 61.7010 70.2312 172.4531 25 S 4.4119 7.1585 114.2734 55.4261 65.3689 176.6912 26 G 4.7042 7.6231 116.5912 46.2253 0.0000 172.7801 27 G 3.8081 7.8000 119.2981 44.1032 0.0000 169.7693 28 P 4.3501 0.0000 0.0000 62.6167 32.2929 175.6376 29 V 3.1621 8.3088 120.2619 61.3018 31.7968 173.3904 30 D 4.3156 8.8198 118.8253 55.8978 40.6906 177.0763 31 A 3.3769 7.6383 118.4980 52.5910 16.9248 179.0752 32 G 4.0009 8.0307 110.0208 46.3715 0.0000 172.4261 33 P 4.6497 0.0000 0.0000 64.1598 31.5949 176.2195 34 E 4.9232 7.8901 117.8510 55.4729 29.9603 176.2903 35 Y 4.3156 8.5779 117.9563 59.4491 38.1103 176.2005 36 Q 3.2091 6.9705 120.1000 59.3041 28.8852 179.1049 37 Q 4.1587 7.9443 119.5240 58.4222 29.0381 176.8894 38 D 4.6079 9.8372 118.2210 55.6898 41.6933 177.6521 39 L 4.1327 7.5399 120.3696 57.4921 42.3218 177.7721 40 D 4.4208 8.5680 118.5424 56.8868 40.9427 178.2086 41 R 4.2589 7.4998 117.8930 59.0892 29.9904 177.8147 42 E 4.1384 7.9014 119.1441 59.0105 29.8312 178.6364 43 L 4.0932 7.9818 119.5456 58.6299 40.6862 178.9693 44 F 4.3970 8.7356 122.0157 60.9767 39.3445 177.2002 45 K 3.5948 7.6134 117.9926 58.8886 31.6409 179.1402 46 L 3.9273 7.5383 118.9273 57.9792 41.5323 179.4832 47 K 3.8078 7.5131 117.4226 59.8706 31.5841 179.2407 48 Q 3.9751 7.6667 117.6572 58.9364 28.6985 178.1023 49 M 4.2587 7.7921 119.2714 58.3227 31.9105 178.3691 50 Y 3.9642 8.9043 117.4617 60.6740 37.7849 178.4277 51 G 3.6617 7.9206 106.4476 46.7794 0.0000 174.7457 52 K 4.3618 7.3931 120.1727 57.5866 33.5853 177.7675 53 A 4.0790 8.7790 121.7615 52.4910 18.1146 177.4025 54 D 4.7257 8.5245 115.1050 55.7422 40.0417 173.2203 55 M 3.7325 8.5573 112.6030 56.0955 29.6357 177.7240 56 N 4.5321 8.0146 118.6588 55.9505 39.6429 176.2542 57 T 3.8437 7.9158 111.8107 64.0338 67.4417 174.3506 58 F 4.8324 7.7946 121.5425 55.4398 39.5401 175.0118 59 P 4.0394 0.0000 0.0000 64.5599 31.5975 175.9550 60 N 4.1684 7.6795 115.0701 53.8250 39.1663 175.7779 61 F 3.3918 8.5567 108.8874 57.7084 35.5629 174.5645 62 T 3.5723 6.1578 116.5946 58.8684 69.7819 175.6345 63 F 4.7494 8.3958 119.1752 57.2363 37.2795 174.8420 64 E 5.0202 8.2235 125.8261 57.1412 33.1924 176.6588 65 D 4.5918 7.3876 118.7823 53.6117 41.6211 175.9566 66 P 4.5710 0.0000 0.0000 64.5677 31.7318 178.3898 67 K 3.7760 8.1698 118.0952 59.9232 32.1984 178.0220 68 F 4.1387 7.7197 116.2109 60.0063 38.8677 174.9761 69 E 4.3039 8.5539 121.9864 56.7244 27.5640 175.7650 70 V 4.3526 8.1523 114.4775 62.1419 35.6084 177.4305 71 V 4.4331 7.3899 116.1961 60.3399 30.9836 176.2432 72 E 4.2454 7.9477 118.9988 57.3752 29.3499 176.0525 73 K 4.3460 8.3800 133.2046 56.7117 34.5447 173.4961 74 P 4.3490 0.0000 0.0000 62.6188 31.6307 175.9850 75 Q 3.8686 8.5231 121.9585 58.4640 29.3907 176.3471 76 S 4.0654 7.9458 115.7946 58.7506 63.3745 171.5025 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 N 8.42 4.68 0.00 2.91 3.01 0.00 0.00 6.10 6.26 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 2 K 8.07 3.97 0.00 1.82 1.78 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 3 E 7.10 4.52 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 4 L 7.48 4.49 0.00 1.56 1.59 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.85 4.70 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.83 0.00 2.18 2.10 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 7 V 7.28 4.36 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 0.76 0.00 0.00 0.94 0.00 0.00 8 Q 7.23 4.09 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 9 K 8.09 3.96 0.00 2.06 2.06 0.00 1.46 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.56 7.81 10 L 7.77 3.98 0.00 1.78 1.84 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.00 3.74 0.00 3.01 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 12 V 7.96 3.10 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 1.06 0.00 0.00 0.91 0.00 0.00 13 D 7.46 4.83 0.00 2.65 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 14 K 8.87 4.45 0.00 1.80 1.57 0.00 1.48 0.00 0.00 1.85 0.00 0.00 3.26 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 15 I 7.79 3.98 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.17 0.84 0.00 0.00 16 R 7.57 4.61 0.00 2.09 2.06 0.00 3.12 0.00 0.00 3.40 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 17 E 8.34 4.65 0.00 2.00 2.12 0.00 0.00 0.00 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 2.31 0.00 18 Y 8.47 4.60 0.00 3.40 3.27 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 19 R 7.56 3.19 0.00 1.60 1.86 0.00 3.04 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.31 0.00 20 T 7.90 3.92 4.40 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 1.31 0.00 0.00 21 K 7.91 3.86 0.00 1.93 1.87 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.61 7.81 22 R 7.31 4.02 0.00 1.70 1.92 0.00 3.03 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 23 Q 7.96 3.81 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 5.92 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 24 T 7.90 3.58 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 1.23 0.00 0.00 25 S 7.16 4.41 0.00 3.79 3.80 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 0.00 0.00 0.00 0.00 26 G 7.62 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 3.81 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 0.00 0.00 0.00 28 P 0.00 4.35 0.00 2.20 2.06 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 29 V 8.31 3.16 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 0.85 0.00 0.00 1.05 0.00 0.00 30 D 8.82 4.32 0.00 2.71 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 31 A 7.64 3.38 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.65 0.00 2.23 2.21 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 34 E 7.89 4.92 0.00 2.08 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 0.00 2.28 2.29 0.00 35 Y 8.58 4.32 0.00 3.26 3.29 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 0.00 0.00 0.00 36 Q 6.97 3.21 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 37 Q 7.94 4.16 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 38 D 9.84 4.61 0.00 3.05 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 39 L 7.54 4.13 0.00 1.64 1.60 1.12 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.57 4.42 0.00 2.89 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.50 4.26 0.00 2.14 2.00 0.00 3.36 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 42 E 7.90 4.14 0.00 2.42 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 2.32 2.32 0.00 43 L 7.98 4.09 0.00 2.10 2.07 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.74 4.40 0.00 3.03 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.61 3.59 0.00 1.89 1.71 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.67 7.81 46 L 7.54 3.93 0.00 1.88 1.93 0.41 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.51 3.81 0.00 2.17 1.93 0.00 0.86 0.00 0.00 1.26 0.00 0.00 2.81 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.42 1.43 7.81 48 Q 7.67 3.98 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.18 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 49 M 7.79 4.26 0.00 2.00 1.93 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 2.73 2.50 0.00 50 Y 8.90 3.96 0.00 3.04 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.39 4.36 0.00 1.84 1.80 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.42 7.81 53 A 8.78 4.08 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 54 D 8.52 4.73 0.00 2.84 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 55 M 8.56 3.73 0.00 2.51 2.32 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.85 0.00 56 N 8.01 4.53 0.00 2.89 2.82 0.00 0.00 6.95 8.44 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 57 T 7.92 3.84 3.98 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 0.00 0.00 0.53 0.00 0.00 58 F 7.79 4.83 0.00 3.64 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 59 P 0.00 4.04 0.00 1.94 2.06 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 60 N 7.68 4.17 0.00 1.77 2.48 0.00 0.00 6.97 7.13 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 61 F 8.56 3.39 0.00 3.10 3.40 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 62 T 6.16 3.57 4.17 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 1.03 0.00 0.00 63 F 8.40 4.75 0.00 3.56 3.31 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 0.00 0.00 0.00 0.00 64 E 8.22 5.02 0.00 2.09 2.23 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 2.24 2.42 0.00 65 D 7.39 4.59 0.00 2.79 2.65 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 66 P 0.00 4.57 0.00 2.24 2.34 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 67 K 8.17 3.78 0.00 1.75 1.94 0.00 0.61 0.00 0.00 1.34 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.41 7.81 68 F 7.72 4.14 0.00 3.33 3.16 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 0.00 0.00 0.00 0.00 69 E 8.55 4.30 0.00 2.03 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 2.36 2.33 0.00 70 V 8.15 4.35 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 0.87 0.00 0.00 1.07 0.00 0.00 71 V 7.39 4.43 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 0.84 0.00 0.00 0.95 0.00 0.00 72 E 7.95 4.25 0.00 2.01 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 2.33 2.34 0.00 73 K 8.38 4.35 0.00 1.70 1.78 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.26 7.81 74 P 0.00 4.35 0.00 2.09 1.99 0.00 3.92 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 75 Q 8.52 3.87 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.24 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 76 S 7.95 4.07 0.00 4.03 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