NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3567 8.2893 120.3486 55.5876 32.9892 175.2967 2 T 4.1956 8.2984 116.8464 60.2199 70.3389 170.0442 3 E 4.6831 7.9361 120.9544 54.8201 33.2286 175.7858 4 T 4.0602 8.3039 115.8435 63.6668 69.4368 173.8234 5 D 4.7998 7.4976 121.7137 51.2308 42.5667 173.6926 6 K 4.5853 8.4963 120.8144 57.6993 38.6682 176.2241 7 K 3.9398 8.0141 119.6589 56.6327 32.2863 175.7305 8 Q 4.3436 8.4634 125.7608 55.2891 29.4829 175.6054 9 E 3.8413 8.5810 123.3353 57.7774 30.0569 174.9458 10 Q 3.2152 7.8045 131.4276 56.1899 27.2405 172.8650 11 E 4.4414 8.3231 124.2945 54.6823 31.4915 175.3898 12 N 4.6753 8.1229 117.7332 51.8612 38.5213 174.6303 13 H 4.2051 8.2222 115.2226 57.7700 28.9132 175.5414 14 A 4.6086 7.1959 119.8174 51.7945 21.5106 175.5957 15 E 4.5392 8.0952 108.9903 56.4275 31.8457 172.8454 16 C 3.7708 9.0379 126.8592 58.8494 29.7747 172.0426 17 E 3.9009 8.8043 125.3396 57.4233 29.2692 177.9165 18 D 4.1337 8.5185 119.0699 53.2599 41.2984 170.0841 19 K 3.7852 8.4796 124.5799 55.3720 29.0309 173.9926 20 P 4.4264 0.0000 0.0000 63.5093 32.3686 177.1303 21 K 4.6681 7.9472 119.6102 57.7657 32.8833 176.9300 22 P 4.2558 0.0000 0.0000 62.9852 30.1634 177.5288 23 C 4.3531 7.7654 121.1410 57.6908 30.5072 174.2878 24 C 4.2925 8.3436 112.7764 60.7615 29.7740 175.1190 25 V 3.6406 7.5239 119.3649 63.3031 31.1649 175.4973 26 C 4.9307 7.2578 114.1972 56.6308 31.5424 171.9224 27 K 4.6921 9.6264 126.4161 55.8793 40.2144 175.5958 28 P 4.2640 0.0000 0.0000 66.0822 31.2220 178.0346 29 E 4.6114 8.2746 119.2360 58.0116 29.3006 178.8506 30 K 3.8818 8.0713 120.0822 59.4068 32.4077 178.2939 31 E 3.9649 8.1383 119.2656 59.2356 29.5334 178.6370 32 E 3.9464 8.2049 118.8783 59.1196 29.5028 179.3217 33 R 3.1479 7.9255 118.8316 59.1316 30.1949 178.0233 34 D 4.2478 7.9524 117.8287 57.7184 41.2475 178.3780 35 T 3.9980 7.9174 116.2033 66.6925 68.4302 176.2031 36 C 4.0304 7.8786 120.5964 62.6368 31.6918 175.7521 37 I 3.8534 7.7516 121.0100 63.5436 36.3952 178.3210 38 L 3.8863 7.6493 120.9672 58.2650 42.1120 178.6790 39 F 4.1379 8.3001 116.2425 60.7382 38.9832 177.3093 40 N 4.6307 8.1654 115.4483 55.3301 38.7310 176.0601 41 G 4.1010 8.9954 107.4482 45.8425 0.0000 175.8243 42 Q 3.6710 8.4863 116.4721 56.5404 27.8346 174.0802 43 D 4.5917 7.9909 117.9268 53.6325 39.8541 175.6459 44 S 4.4556 7.7691 115.8558 57.4138 62.4022 172.6501 45 E 3.6162 9.3795 126.4362 56.3047 27.9729 175.3390 46 K 4.3212 8.5667 111.6224 55.4152 30.0973 174.7709 47 C 4.2534 8.2228 117.3862 60.1222 30.6980 174.7680 48 K 4.1112 7.8730 119.5880 58.1373 31.6172 178.1068 49 E 3.8938 8.2249 119.6563 59.6553 29.6410 178.6275 50 F 4.1383 8.0273 117.0522 60.3604 38.8658 177.8649 51 I 3.8296 7.7800 119.2358 64.3703 36.9142 178.1873 52 E 3.9998 8.4119 119.3890 59.4976 29.4054 179.4523 53 K 3.9171 8.1296 118.5009 59.5878 32.0498 178.7693 54 Y 4.0179 8.3013 119.9457 60.6470 38.9070 178.0590 55 K 4.0156 8.5412 119.8036 59.9678 31.0861 178.4693 56 E 3.9835 8.4675 120.8819 58.8059 29.4168 177.5752 57 C 4.3054 7.9055 116.8419 60.9425 32.0965 174.3316 58 M 4.2683 7.7205 119.8694 57.1866 32.3489 178.2055 59 K 4.3804 8.0686 117.8250 57.9015 32.7669 177.1124 60 G 3.6411 7.4147 107.5527 44.5729 0.0000 172.4200 61 Y 3.7748 7.9642 121.3495 58.2339 36.8285 171.3436 62 G 3.1661 7.9956 107.2619 49.2494 0.0000 174.7595 63 F 5.3765 6.1904 120.9949 57.4798 42.5021 174.8727 64 E 4.6807 8.4901 109.6569 55.7651 32.4363 177.1660 65 V 4.4299 8.2468 121.5487 60.7317 34.5348 172.9432 66 P 4.1636 0.0000 0.0000 65.4693 31.4650 178.5361 67 S 3.7310 7.3390 109.9159 58.1044 62.3827 171.3920 68 A 4.5271 8.2904 120.2055 51.1001 20.5504 176.2212 69 N 4.5360 8.2402 117.4465 53.7769 38.7663 174.0205 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 M 8.29 4.36 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 8.30 4.20 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 3 E 7.94 4.68 0.00 1.87 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 2.19 2.44 0.00 4 T 8.30 4.06 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 5 D 7.50 4.80 0.00 2.75 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 6 K 8.50 4.59 0.00 1.68 1.78 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.37 7.81 7 K 8.01 3.94 0.00 1.75 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.47 7.81 8 Q 8.46 4.34 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 9 E 8.58 3.84 0.00 1.95 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 2.31 2.29 0.00 10 Q 7.80 3.22 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 11 E 8.32 4.44 0.00 1.97 1.86 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 2.24 2.27 0.00 12 N 8.12 4.68 0.00 2.79 2.81 0.00 0.00 6.00 7.89 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 13 H 8.22 4.21 0.00 3.15 3.33 0.00 5.83 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 14 A 7.20 4.61 1.24 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 0.00 0.00 15 E 8.10 4.54 0.00 2.03 1.88 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 2.12 2.23 0.00 16 C 9.04 3.77 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 3.90 0.00 2.13 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 0.00 2.29 2.26 0.00 18 D 8.52 4.13 0.00 2.82 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 19 K 8.48 3.79 0.00 2.00 1.91 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.35 7.81 20 P 0.00 4.43 0.00 2.27 2.00 0.00 3.88 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 2.15 2.17 0.00 21 K 7.95 4.67 0.00 1.94 1.91 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.83 7.81 22 P 0.00 4.26 0.00 2.15 2.12 0.00 4.10 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 23 C 7.77 4.35 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.34 4.29 0.00 3.05 3.04 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 0.00 0.00 0.00 25 V 7.52 3.64 1.92 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 0.58 0.00 0.00 0.91 0.00 0.00 26 C 7.26 4.93 0.00 3.38 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 9.63 4.69 0.00 1.77 1.76 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.41 7.81 28 P 0.00 4.26 0.00 2.34 2.31 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 29 E 8.27 4.61 0.00 2.40 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 2.64 2.56 0.00 30 K 8.07 3.88 0.00 1.88 2.09 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.42 7.81 31 E 8.14 3.96 0.00 2.16 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 0.00 2.31 2.39 0.00 32 E 8.20 3.95 0.00 2.32 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 2.36 2.59 0.00 33 R 7.93 3.15 0.00 1.86 1.95 0.00 3.01 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 34 D 7.95 4.25 0.00 2.79 2.74 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 35 T 7.92 4.00 4.18 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 1.20 0.00 0.00 36 C 7.88 4.03 0.00 2.61 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 37 I 7.75 3.85 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.00 0.91 0.00 0.00 38 L 7.65 3.89 0.00 1.95 1.88 0.67 0.51 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 39 F 8.30 4.14 0.00 2.98 3.12 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 0.00 0.00 0.00 40 N 8.17 4.63 0.00 2.88 2.87 0.00 0.00 7.31 7.29 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 41 G 9.00 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 0.00 0.00 0.00 42 Q 8.49 3.67 0.00 2.41 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 43 D 7.99 4.59 0.00 2.87 2.94 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 0.00 0.00 0.00 44 S 7.77 4.46 0.00 3.88 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 45 E 9.38 3.62 0.00 2.27 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 2.30 2.40 0.00 46 K 8.57 4.32 0.00 1.97 1.92 0.00 2.03 0.00 0.00 2.61 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.33 7.81 47 C 8.22 4.25 0.00 3.14 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 48 K 7.87 4.11 0.00 1.88 1.82 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.47 7.81 49 E 8.22 3.89 0.00 2.09 1.88 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 2.15 2.10 0.00 50 F 8.03 4.14 0.00 3.31 3.12 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 0.00 0.00 0.00 51 I 7.78 3.83 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.86 0.96 0.00 0.00 52 E 8.41 4.00 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 53 K 8.13 3.92 0.00 1.78 1.86 0.00 1.64 0.00 0.00 1.54 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.72 1.45 7.81 54 Y 8.30 4.02 0.00 3.26 3.22 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 55 K 8.54 4.02 0.00 2.10 2.36 0.00 1.40 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.74 1.48 7.81 56 E 8.47 3.98 0.00 2.14 2.17 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 2.30 2.30 0.00 57 C 7.91 4.31 0.00 3.07 2.98 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 0.00 58 M 7.72 4.27 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.94 0.00 59 K 8.07 4.38 0.00 1.87 2.11 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.56 7.81 60 G 7.41 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.96 3.77 0.00 3.15 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 62 G 8.00 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 0.00 0.00 0.00 63 F 6.19 5.38 0.00 2.89 2.77 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 64 E 8.49 4.68 0.00 1.67 1.37 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 1.47 1.75 0.00 65 V 8.25 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 0.93 0.00 0.00 1.01 0.00 0.00 66 P 0.00 4.16 0.00 2.09 2.09 0.00 3.93 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 2.05 2.11 0.00 67 S 7.34 3.73 0.00 4.19 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 68 A 8.29 4.53 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 69 N 8.24 4.54 0.00 2.85 2.79 0.00 0.00 6.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00