NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3255 0.0000 0.0000 62.2041 31.4999 176.2766 3 S 4.1669 8.0943 121.1807 57.7998 65.0421 173.3986 4 K 3.9477 8.5553 120.3998 59.3290 32.0548 180.5458 5 L 3.9179 7.8250 120.0171 58.1095 42.1375 178.7344 6 A 3.9543 7.7264 120.8267 55.0226 18.0800 179.0423 7 L 3.8833 7.8539 118.0120 58.5874 42.2479 178.9118 8 I 4.0570 7.6713 118.5602 63.8400 37.1151 178.2697 9 Q 4.0749 8.1234 118.3247 58.6942 28.8314 177.9986 10 E 4.1744 8.3802 118.7891 58.2312 29.4508 178.1537 11 L 3.8759 7.7252 119.4111 57.7661 41.7171 177.2077 12 P 4.1902 0.0000 0.0000 66.4417 30.9811 177.9433 13 D 4.2808 7.9829 116.8275 57.2666 41.2018 178.2997 14 R 3.9996 8.5725 118.7266 59.0675 29.7953 179.2486 15 I 3.7770 8.0699 120.2590 64.1566 37.0999 177.8584 16 Q 3.9548 8.0991 120.4175 59.5717 28.6004 178.5005 17 T 3.8357 7.6929 114.9779 66.9112 68.6840 176.2444 18 A 4.0986 7.6061 120.5684 54.3760 18.6114 178.8017 19 V 4.0882 7.4283 116.0656 63.9711 32.4329 177.5847 20 E 3.9604 8.5087 117.9534 59.2658 28.9803 178.8097 21 A 3.9510 8.0110 120.1053 55.1600 18.6671 178.8550 22 A 4.1140 7.9636 118.2607 55.7088 18.3227 179.4955 23 M 4.1621 7.9742 115.7176 57.6814 32.1210 178.6075 24 G 3.7599 7.9876 105.0660 45.7010 0.0000 173.9929 25 M 4.0909 7.1505 121.1351 55.9526 32.7187 175.3286 26 S 4.6857 8.5086 120.1439 56.9860 65.0731 173.4187 27 Y 4.9070 7.1852 120.4618 57.0771 38.3472 176.3186 28 Q 4.2913 8.2101 117.9339 57.8381 28.9256 176.2350 29 D 4.6923 7.8458 116.2291 52.9429 40.4996 176.3353 30 A 4.3546 7.5141 122.9965 50.8063 19.4846 175.9445 31 P 4.4800 0.0000 0.0000 62.2722 33.3271 177.3385 32 N 4.3250 8.7310 118.1038 57.1068 38.8968 176.9110 33 N 4.3797 8.0864 117.8994 55.9314 37.5605 177.3122 34 V 3.5668 7.7117 120.1244 65.7647 31.8082 178.0611 35 R 4.0566 8.4973 118.3351 59.2713 29.8663 179.3225 36 R 3.9809 7.9776 118.0361 59.2933 30.0379 178.7893 37 D 4.3300 7.9905 118.6384 57.3110 40.8541 178.7409 38 L 3.8053 7.8031 118.9791 57.0789 41.3619 179.1463 39 D 4.5636 7.6754 120.3585 56.5501 40.7397 178.1324 40 N 4.4510 8.2237 117.6438 56.1390 38.8073 176.7679 41 L 3.9001 7.9545 122.1382 58.5268 42.2495 178.4504 42 H 4.0576 8.3690 115.8424 58.9720 28.5737 177.5997 43 A 4.0081 8.5009 122.7557 55.2027 18.3137 179.1854 44 C 4.0130 8.3110 117.4679 62.8318 31.7361 175.9292 45 L 4.0404 8.2964 120.8782 57.8128 41.1495 179.2771 46 N 4.4326 8.4290 116.4426 55.7612 38.3776 177.3178 47 K 4.0025 7.8646 121.0574 58.9727 32.3018 178.7834 48 A 3.9666 7.9295 120.9929 55.0592 18.3051 179.6868 49 K 3.9077 8.0656 116.9690 59.7271 32.0934 179.6145 50 L 3.9977 7.9196 119.1526 57.9280 41.4019 179.7070 51 T 3.8257 8.3426 116.0976 66.6402 68.4870 176.6798 52 V 3.5749 7.8143 119.9482 66.2327 31.4810 178.1085 53 S 4.1164 8.2112 114.7473 61.8798 62.6700 177.0321 54 R 3.9686 8.2117 120.7338 59.2269 29.6342 178.9239 55 M 3.9780 8.2458 118.3412 58.6358 32.3447 178.3576 56 V 3.5785 8.2545 118.6887 66.3994 31.1652 178.0706 57 T 3.8631 8.2803 115.7711 66.7324 68.0801 176.5156 58 S 4.2840 8.0275 113.8948 61.3104 62.6555 176.0713 59 L 4.1575 8.1225 121.8219 57.8335 41.3419 179.1123 60 L 4.2549 8.1937 115.9192 56.1875 41.5932 178.0574 61 E 4.6230 7.6345 117.0471 55.4733 30.4074 175.9613 62 K 4.2898 7.7537 120.3947 54.6320 32.1673 175.7500 63 P 4.3126 0.0000 0.0000 65.8964 30.4662 178.5476 64 S 4.1043 7.9899 113.5400 61.4144 62.9754 176.5859 65 V 3.6976 7.7071 121.6775 65.4623 31.3629 177.9985 66 V 3.5761 8.0029 117.8645 65.8008 31.3446 177.6801 67 A 3.9844 8.0305 120.6087 55.4464 17.9878 178.8092 68 Y 4.0216 7.5148 115.9317 61.0391 39.0277 177.7983 69 L 3.7938 7.9583 118.8425 57.9634 41.7955 179.3508 70 E 4.0939 8.0633 117.8764 59.9537 29.5970 177.1426 71 G 3.5763 7.7476 105.0748 45.0496 0.0000 173.9703 72 K 4.0525 8.0843 124.4859 56.9234 32.0224 176.5219 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 4.33 0.00 2.19 2.18 0.00 3.73 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 1.88 1.96 0.00 3 S 8.09 4.17 0.00 4.10 4.05 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 4 K 8.56 3.95 0.00 1.71 1.86 0.00 1.44 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.43 7.81 5 L 7.83 3.92 0.00 1.72 1.63 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.73 3.95 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 7 L 7.85 3.88 0.00 1.92 1.82 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.67 4.06 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.23 0.92 0.00 0.00 9 Q 8.12 4.07 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 10 E 8.38 4.17 0.00 2.03 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 2.32 2.68 0.00 11 L 7.73 3.88 0.00 1.79 1.69 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.19 0.00 2.25 2.34 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 13 D 7.98 4.28 0.00 2.77 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 14 R 8.57 4.00 0.00 1.96 1.97 0.00 3.17 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 15 I 8.07 3.78 2.03 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 1.41 1.43 0.91 0.00 0.00 16 Q 8.10 3.95 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 17 T 7.69 3.84 4.42 0.00 0.00 0.00 0.00 0.00 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 18 A 7.61 4.10 1.34 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 0.00 0.00 19 V 7.43 4.09 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 1.05 0.00 0.00 0.92 0.00 0.00 20 E 8.51 3.96 0.00 2.21 2.36 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 2.49 2.34 0.00 21 A 8.01 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.97 4.16 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.40 0.00 24 G 7.99 3.76 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 0.00 0.00 0.00 25 M 7.15 4.09 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 26 S 8.51 4.69 0.00 3.89 3.76 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 27 Y 7.19 4.91 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.21 4.29 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 29 D 7.85 4.69 0.00 2.77 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 30 A 7.51 4.35 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.48 0.00 2.27 1.99 0.00 3.63 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 2.12 2.15 0.00 32 N 8.73 4.32 0.00 2.76 2.83 0.00 0.00 6.67 6.71 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 33 N 8.09 4.38 0.00 2.95 3.06 0.00 0.00 5.88 7.68 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 34 V 7.71 3.57 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 1.02 0.00 0.00 0.92 0.00 0.00 35 R 8.50 4.06 0.00 2.19 2.08 0.00 3.25 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 36 R 7.98 3.98 0.00 2.04 1.97 0.00 3.23 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 37 D 7.99 4.33 0.00 2.64 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 38 L 7.80 3.81 0.00 0.32 0.39 0.56 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.68 4.56 0.00 2.92 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 40 N 8.22 4.45 0.00 2.92 2.89 0.00 0.00 6.81 6.14 0.00 0.00 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 L 7.95 3.90 0.00 1.86 1.82 0.90 0.88 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 42 H 8.37 4.06 0.00 3.48 3.42 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.50 4.01 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 44 C 8.31 4.01 0.00 3.08 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 45 L 8.30 4.04 0.00 1.67 1.68 0.88 0.55 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 46 N 8.43 4.43 0.00 2.95 2.88 0.00 0.00 6.60 6.61 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 47 K 7.86 4.00 0.00 1.79 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 48 A 7.93 3.97 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 49 K 8.07 3.91 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.67 7.81 50 L 7.92 4.00 0.00 1.89 1.72 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.34 3.83 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 52 V 7.81 3.57 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 0.88 0.00 0.00 0.99 0.00 0.00 53 S 8.21 4.12 0.00 4.04 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.21 3.97 0.00 2.08 1.98 0.00 3.13 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 55 M 8.25 3.98 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 56 V 8.25 3.58 2.20 0.00 0.00 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 57 T 8.28 3.86 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 1.21 0.00 0.00 58 S 8.03 4.28 0.00 3.93 4.08 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 0.00 0.00 0.00 0.00 59 L 8.12 4.16 0.00 2.01 1.71 0.94 0.92 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 60 L 8.19 4.25 0.00 1.57 1.73 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.63 4.62 0.00 2.10 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 2.28 2.61 0.00 62 K 7.75 4.29 0.00 1.95 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.64 7.81 63 P 0.00 4.31 0.00 2.27 2.33 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 64 S 7.99 4.10 0.00 4.08 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 0.00 65 V 7.71 3.70 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 1.17 0.00 0.00 0.95 0.00 0.00 66 V 8.00 3.58 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 1.03 0.00 0.00 0.99 0.00 0.00 67 A 8.03 3.98 1.44 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 0.00 0.00 68 Y 7.51 4.02 0.00 2.96 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 69 L 7.96 3.79 0.00 1.63 1.69 0.96 0.92 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 70 E 8.06 4.09 0.00 2.01 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 2.30 0.00 71 G 7.75 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.08 4.05 0.00 1.77 1.77 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.44 7.81