NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1287 0.0000 0.0000 61.4707 33.5411 176.1644 3 L 4.4132 7.2399 118.1605 52.0897 42.6985 175.2637 4 K 3.8074 9.9865 125.4122 56.5074 34.5370 175.5440 5 P 4.2231 0.0000 0.0000 65.9231 31.4103 178.3925 6 E 3.9201 8.1449 117.2205 59.5125 29.1587 178.6156 7 E 3.9975 8.0532 118.0403 59.7013 29.5447 178.6642 8 H 4.2862 8.6604 118.5639 58.8528 29.7810 176.9448 9 E 4.0114 8.4079 121.6261 59.0122 29.3715 178.5464 10 D 4.3411 7.9910 118.6461 57.3696 40.8903 178.4567 11 I 3.6543 7.2929 119.4483 64.7285 36.9834 178.4587 12 L 3.9271 7.5464 117.8121 57.7620 41.5689 179.2154 13 N 4.4981 7.8233 116.7109 55.7812 38.1836 177.1801 14 K 3.8325 8.1173 121.5238 59.6067 32.2775 178.2862 15 L 4.2672 7.8845 115.6025 55.9802 41.6406 177.8518 16 L 4.0529 7.8432 121.2891 57.2426 42.2924 176.7016 17 D 4.3782 7.5245 117.4961 53.8116 41.1905 174.5482 18 P 4.4105 0.0000 0.0000 65.0009 31.6551 177.3540 19 E 4.1925 9.0435 117.4497 58.0677 29.9090 176.3835 20 L 3.5120 8.0355 119.0971 52.6068 43.1374 176.7129 21 A 3.9536 8.7940 127.4087 52.7690 18.7389 177.9570 22 Q 3.8952 8.9968 126.0322 59.7816 28.8609 179.3014 23 S 4.0261 7.9482 114.5571 61.5912 63.4486 176.2208 24 E 4.0176 8.0760 122.3545 58.7664 29.1786 179.3213 25 R 4.0238 8.2694 116.3386 59.3691 29.4226 179.0652 26 T 3.9159 7.2805 115.6526 66.0768 68.6442 176.1454 27 E 4.0363 8.0329 120.8416 59.3699 29.6390 178.8269 28 A 3.9993 7.9122 120.6842 54.9263 18.2973 178.9944 29 L 4.0663 8.3007 117.3408 57.1884 42.2853 178.6087 30 Q 4.2031 7.8949 118.0119 59.3150 29.0228 177.7469 31 Q 3.9825 7.8129 118.9956 59.1905 28.9154 179.0794 32 L 4.3826 7.9920 118.5578 56.7206 41.7219 178.4804 33 R 4.4411 8.5111 118.8492 57.8958 30.7867 177.9196 34 V 3.6094 7.6051 117.9693 65.7144 31.7014 177.0608 35 N 4.2462 8.8897 116.8386 57.1695 39.0672 176.4607 36 Y 4.2667 7.9305 119.2520 60.2221 38.5338 178.3729 37 G 3.5889 7.7677 105.8496 48.7303 0.0000 175.1176 38 S 3.9461 8.5082 117.2689 60.8759 62.6058 177.3734 39 F 4.3032 8.4862 122.8228 61.5257 39.8825 178.3492 40 V 3.3904 7.3207 117.2365 66.3310 31.4330 177.4090 41 S 4.2789 9.7511 113.4354 60.4230 62.3243 175.3944 42 E 3.9783 8.2489 120.3953 60.1483 29.5219 179.1228 43 Y 4.1511 8.3973 119.1109 60.5086 38.6836 177.7802 44 N 4.3355 8.7282 118.0135 56.1330 38.7522 177.2133 45 D 4.2931 7.9513 119.8487 57.1880 40.9911 178.2433 46 L 3.9082 8.3211 121.1841 58.6231 41.8975 179.2945 47 T 3.7191 7.5125 115.3676 66.3370 68.0198 176.7770 48 K 3.9391 8.2872 121.9350 58.9819 32.1509 178.7312 49 S 4.0664 8.3373 113.8915 61.1220 62.6626 175.5671 50 H 4.3957 8.8223 120.9487 58.7384 29.5893 177.2347 51 E 3.9125 7.9321 120.8997 59.2024 29.3231 178.7976 52 K 3.8298 7.4751 119.1661 59.4670 32.2968 178.1165 53 L 3.8405 8.3140 120.5870 58.3381 41.8039 178.4873 54 A 3.8812 7.6467 119.7105 55.3816 18.1934 179.4978 55 A 3.9021 7.7497 118.3511 55.3898 18.4849 179.1550 56 E 3.8329 8.3198 117.9479 59.4344 29.5680 178.9648 57 K 3.8332 8.5499 119.6469 59.7803 32.3190 178.2445 58 D 4.3434 7.8203 118.2130 57.4127 40.9804 177.9777 59 D 4.3699 8.1655 119.5719 57.2556 40.8356 178.5826 60 L 3.7919 8.2571 119.8641 57.7507 41.5830 179.6832 61 I 3.6736 7.7031 119.6539 64.3346 37.1096 178.5572 62 V 3.6030 7.7425 119.1876 66.1219 31.4328 178.2062 63 S 4.2437 8.9246 114.4408 60.7601 62.8144 175.8938 64 N 4.3478 8.1701 121.5023 56.6618 38.7392 176.9884 65 S 4.1739 8.1674 116.5581 61.5480 62.8632 176.8826 66 K 3.9957 8.1882 121.0732 59.3708 31.8425 179.2974 67 L 3.9834 7.9184 119.2249 58.5106 41.3937 178.6606 68 F 3.9931 8.2234 118.7031 61.0190 39.2829 176.3156 69 R 3.9945 8.6667 117.5626 59.8487 30.0685 178.5658 70 Q 3.9286 8.3633 119.1217 59.3821 28.6993 178.4222 71 I 3.8234 7.8373 120.5979 63.8947 36.8024 178.3250 72 G 3.6000 7.3206 105.6028 46.6850 0.0000 174.7800 73 L 4.1753 7.5567 120.0024 56.7392 42.1989 177.1043 74 T 4.1391 7.1912 118.5398 63.5979 68.4503 174.4342 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 P 0.00 4.13 0.00 1.88 2.06 0.00 2.54 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 3 L 7.24 4.41 0.00 1.81 1.58 1.05 0.64 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 4 K 9.99 3.81 0.00 1.73 1.75 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.64 7.81 5 P 0.00 4.22 0.00 2.16 2.15 0.00 3.60 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 2.14 2.19 0.00 6 E 8.14 3.92 0.00 2.00 1.95 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 2.38 2.35 0.00 7 E 8.05 4.00 0.00 2.19 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 2.39 2.36 0.00 8 H 8.66 4.29 0.00 3.19 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.41 4.01 0.00 2.37 2.05 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 2.32 2.41 0.00 10 D 7.99 4.34 0.00 3.03 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.29 3.65 1.92 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 1.50 0.73 0.86 0.00 0.00 12 L 7.55 3.93 0.00 1.75 1.73 0.98 1.06 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 13 N 7.82 4.50 0.00 2.85 2.84 0.00 0.00 6.49 7.81 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 14 K 8.12 3.83 0.00 1.87 1.98 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 15 L 7.88 4.27 0.00 1.63 1.68 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.84 4.05 0.00 1.72 1.79 0.91 1.12 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 17 D 7.52 4.38 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.08 2.09 0.00 3.72 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 2.10 0.00 19 E 9.04 4.19 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 2.31 2.23 0.00 20 L 8.04 3.51 0.00 1.78 1.54 0.91 1.18 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 21 A 8.79 3.95 1.29 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 0.00 0.00 22 Q 9.00 3.90 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 23 S 7.95 4.03 0.00 4.09 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 24 E 8.08 4.02 0.00 2.10 2.04 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 2.62 2.36 0.00 25 R 8.27 4.02 0.00 2.03 2.18 0.00 2.90 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 26 T 7.28 3.92 4.37 0.00 0.00 0.00 0.00 0.00 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 27 E 8.03 4.04 0.00 2.02 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 2.30 2.33 0.00 28 A 7.91 4.00 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.30 4.07 0.00 1.89 1.83 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.89 4.20 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 31 Q 7.81 3.98 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 32 L 7.99 4.38 0.00 1.68 1.72 0.87 0.79 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 33 R 8.51 4.44 0.00 1.85 2.10 0.00 3.12 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 34 V 7.61 3.61 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 1.00 0.00 0.00 0.98 0.00 0.00 35 N 8.89 4.25 0.00 2.80 3.02 0.00 0.00 6.99 7.51 0.00 0.00 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 Y 7.93 4.27 0.00 3.47 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 37 G 7.77 3.59 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 0.00 0.00 0.00 38 S 8.51 3.95 0.00 4.07 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 39 F 8.49 4.30 0.00 3.05 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 40 V 7.32 3.39 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 0.80 0.00 0.00 0.51 0.00 0.00 41 S 9.75 4.28 0.00 3.92 3.91 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 42 E 8.25 3.98 0.00 2.26 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 2.50 0.00 43 Y 8.40 4.15 0.00 3.01 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 44 N 8.73 4.34 0.00 2.98 2.84 0.00 0.00 6.93 7.97 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 45 D 7.95 4.29 0.00 2.67 2.70 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 46 L 8.32 3.91 0.00 1.77 1.59 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.51 3.72 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 1.16 0.00 0.00 48 K 8.29 3.94 0.00 2.00 1.85 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.57 7.81 49 S 8.34 4.07 0.00 3.86 3.99 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 50 H 8.82 4.40 0.00 3.19 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.93 3.91 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 52 K 7.48 3.83 0.00 1.84 1.93 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 53 L 8.31 3.84 0.00 1.82 1.57 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.65 3.88 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 3.90 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 56 E 8.32 3.83 0.00 2.02 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 2.30 2.33 0.00 57 K 8.55 3.83 0.00 1.85 1.95 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.58 7.81 58 D 7.82 4.34 0.00 2.69 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 59 D 8.17 4.37 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.26 3.79 0.00 1.83 1.71 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.70 3.67 2.08 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 1.39 1.00 0.90 0.00 0.00 62 V 7.74 3.60 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 1.05 0.00 0.00 1.02 0.00 0.00 63 S 8.92 4.24 0.00 4.02 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 64 N 8.17 4.35 0.00 2.89 3.06 0.00 0.00 7.02 7.07 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 65 S 8.17 4.17 0.00 4.10 3.92 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 66 K 8.19 4.00 0.00 1.83 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.68 7.81 67 L 7.92 3.98 0.00 1.97 1.78 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.22 3.99 0.00 3.11 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 69 R 8.67 3.99 0.00 2.04 2.13 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 70 Q 8.36 3.93 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 71 I 7.84 3.82 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 0.80 0.00 0.00 72 G 7.32 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.56 4.18 0.00 1.76 1.71 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.19 4.14 4.31 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 1.19 0.00 0.00