NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3264 8.2493 123.5864 52.5815 19.9454 177.0349 2 T 4.3280 8.0637 109.4909 60.4984 69.3951 174.6310 3 L 3.8668 8.4679 125.6343 58.7903 42.5112 179.8412 4 T 3.4790 7.6306 114.9741 66.5121 68.4902 176.4711 5 S 4.1727 7.7662 114.3044 61.3233 62.4016 175.4790 6 E 3.9152 8.3816 120.8897 59.3488 29.6012 178.7037 7 V 3.7463 7.9335 118.3352 66.0658 31.7293 177.9729 8 I 3.6885 7.3816 119.6971 64.3896 36.7048 178.4575 9 K 4.0504 7.7909 117.5587 59.3006 31.9136 178.6377 10 A 4.1955 7.4815 120.2433 53.8978 18.7702 177.3712 11 N 4.9539 7.4092 110.7708 51.6154 41.6719 174.9325 12 K 4.1916 8.5485 123.3801 56.5327 33.3903 175.7691 13 G 3.7898 8.9408 114.1436 46.2652 0.0000 173.6247 14 R 4.1937 7.2479 118.6196 56.7795 28.4423 176.9394 15 E 3.5407 8.2173 114.7595 56.4663 26.7830 173.1078 16 G 3.9133 7.5487 107.8763 45.3084 0.0000 168.9444 17 K 4.9667 8.6118 127.4906 56.6429 40.3453 173.0177 18 P 4.7653 0.0000 0.0000 61.2573 33.1892 174.3692 19 M 4.6938 8.3118 122.5035 53.6102 35.2726 173.7858 20 I 5.0255 7.9499 126.3350 58.8782 39.7591 175.3817 21 S 4.6500 8.5804 122.3173 56.6188 62.5450 174.4341 22 L 4.1914 8.6359 127.9927 57.2435 40.6197 178.4803 23 V 3.7525 7.3695 119.0248 65.7264 31.4054 176.2679 24 D 4.6839 7.7047 114.1456 51.5930 40.2507 175.0827 25 G 3.9371 8.1277 107.3634 46.5187 0.0000 172.2302 26 E 4.7691 7.7479 120.9294 54.8184 33.4013 174.0696 27 E 4.3175 8.7361 121.8053 55.8709 30.7565 177.1138 28 I 4.4958 8.0610 125.2887 59.2129 37.3144 173.8158 29 K 3.9001 7.9428 120.9114 58.6347 32.3590 175.7309 30 G 3.4131 7.1218 115.4432 44.6718 0.0000 172.3092 31 T 4.4777 7.4057 108.9692 59.5222 72.0270 173.8756 32 V 3.6444 7.5784 121.9009 61.8194 32.7274 174.1873 33 Y 3.8430 7.7569 124.3094 58.6083 35.6600 170.4732 34 L 4.5168 7.4305 119.1780 55.3262 43.1011 176.5493 35 G 4.0475 9.3913 112.7514 46.1131 0.0000 172.8283 36 D 4.7594 9.3906 116.8063 54.2245 42.9950 178.5780 37 G 4.9698 8.1597 121.2967 45.4103 0.0000 172.2731 38 W 4.8395 7.9823 116.1882 56.2925 28.6537 175.0705 39 S 4.5387 8.4794 114.4329 57.3053 65.7327 172.6494 40 A 5.1890 8.5210 127.0271 51.6517 21.8999 174.5492 41 K 4.6562 8.7203 116.1456 55.9992 36.6135 175.6325 42 K 4.6765 8.5628 120.6943 55.2388 32.7780 176.2398 43 D 4.3829 8.3195 122.6782 54.0981 41.6767 175.5728 44 G 3.5943 7.8828 106.8449 47.9917 0.0000 173.1320 45 A 3.8451 9.9763 127.1494 51.4387 16.8941 177.9484 46 T 4.2715 7.2311 109.2827 62.9482 73.0753 172.5720 47 I 4.4045 8.4049 128.4618 60.3440 39.5440 174.9782 48 V 4.3861 8.0814 125.2965 61.2454 33.6191 174.3222 49 I 5.0523 8.4737 126.5878 59.7079 41.7445 173.3281 50 S 4.4877 8.4941 124.0871 56.5456 64.8644 172.4604 51 P 2.9895 0.0000 0.0000 65.0112 31.9937 177.4350 52 A 4.3275 7.5358 122.7411 53.8657 20.8226 176.3232 53 E 4.4602 7.0619 111.0322 57.4600 33.0460 173.7473 54 E 4.5595 8.1045 117.0110 56.9444 32.0014 176.7966 55 T 4.6125 8.2958 119.7062 61.2259 69.2026 176.2487 56 A 3.7783 8.3061 123.3195 54.1038 17.8840 178.9292 57 L 4.3251 7.9893 113.6195 54.7571 42.5240 176.5545 58 F 4.7454 7.5845 117.8528 56.3063 41.6164 173.3703 59 K 4.8384 8.7271 119.5797 56.0132 35.3059 175.0568 60 A 4.3920 8.2147 121.9341 51.4591 20.1077 176.4527 61 K 4.4378 8.4957 119.1198 55.1250 35.3838 175.7531 62 H 5.0644 8.6556 123.8463 55.8640 30.5923 175.0179 63 I 4.5117 7.9848 119.1431 60.4681 41.6265 175.3752 64 S 4.4430 9.0729 123.4248 58.1400 63.6030 175.0715 65 A 3.9465 8.7963 126.2075 55.5971 18.5003 179.6183 66 A 4.1251 8.0954 117.0541 55.7666 18.4628 179.3831 67 H 4.2606 8.0078 114.1224 58.9186 28.6191 177.5108 68 L 4.0082 7.9460 122.2767 57.9063 41.6813 178.9320 69 K 3.9245 8.0114 119.7653 59.5589 32.1233 178.7690 70 I 3.7093 7.6279 119.7675 64.3491 36.8433 178.4058 71 I 3.7683 7.5365 120.4148 64.4202 37.0962 178.1776 72 A 3.9414 7.9794 120.9740 55.2157 17.9264 179.6446 73 K 3.9185 7.5594 116.0539 59.4927 32.0962 179.0020 74 N 4.4234 7.9354 116.6704 56.3484 38.2959 177.4758 75 L 4.1860 7.6381 120.1497 56.4718 41.8562 177.2317 76 L 4.3178 7.6020 121.8070 55.7900 40.5911 175.9459 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 4.33 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.06 4.33 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 3 L 8.47 3.87 0.00 1.74 1.64 0.90 0.88 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 4 T 7.63 3.48 3.69 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 -0.52 0.00 0.00 5 S 7.77 4.17 0.00 4.15 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 6 E 8.38 3.92 0.00 1.99 1.98 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 2.33 2.37 0.00 7 V 7.93 3.75 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 0.97 0.00 0.00 8 I 7.38 3.69 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 0.94 0.00 0.00 9 K 7.79 4.05 0.00 1.99 1.91 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.63 7.81 10 A 7.48 4.20 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 0.00 0.00 0.00 0.00 0.00 11 N 7.41 4.95 0.00 2.87 2.77 0.00 0.00 6.89 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 12 K 8.55 4.19 0.00 1.93 1.67 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.44 7.81 13 G 8.94 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 0.00 0.00 0.00 14 R 7.25 4.19 0.00 1.79 1.90 0.00 3.39 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 15 E 8.22 3.54 0.00 2.06 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 2.23 2.28 0.00 16 G 7.55 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 0.00 0.00 0.00 17 K 8.61 4.97 0.00 1.96 1.67 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.21 7.81 18 P 0.00 4.77 0.00 2.06 1.99 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 19 M 8.31 4.69 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 20 I 7.95 5.03 1.88 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 1.09 1.75 0.95 0.00 0.00 21 S 8.58 4.65 0.00 3.91 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 22 L 8.64 4.19 0.00 1.78 1.79 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.37 3.75 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 24 D 7.70 4.68 0.00 2.76 2.66 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 25 G 8.13 3.94 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 0.00 0.00 0.00 26 E 7.75 4.77 0.00 2.00 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 2.40 2.34 0.00 27 E 8.74 4.32 0.00 1.86 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 0.00 2.28 2.33 0.00 28 I 8.06 4.50 1.99 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 1.16 0.88 0.00 0.00 29 K 7.94 3.90 0.00 1.61 1.76 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.42 7.81 30 G 7.12 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.41 4.48 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 1.17 0.00 0.00 32 V 7.58 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 0.59 0.00 0.00 0.83 0.00 0.00 33 Y 7.76 3.84 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 4.52 0.00 1.59 1.53 0.80 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.39 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 0.00 0.00 0.00 36 D 9.39 4.76 0.00 2.75 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 37 G 8.16 4.97 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 0.00 0.00 0.00 38 W 7.98 4.84 0.00 3.67 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.48 4.54 0.00 3.55 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 40 A 8.52 5.19 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 41 K 8.72 4.66 0.00 1.85 1.89 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.45 7.81 42 K 8.56 4.68 0.00 1.78 1.81 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.37 7.81 43 D 8.32 4.38 0.00 2.74 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 G 7.88 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 45 A 9.98 3.85 1.42 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 0.00 0.00 0.00 46 T 7.23 4.27 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 47 I 8.40 4.40 1.92 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 1.14 1.19 1.01 0.00 0.00 48 V 8.08 4.39 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 0.90 0.00 0.00 0.97 0.00 0.00 49 I 8.47 5.05 1.94 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 1.45 1.57 0.96 0.00 0.00 50 S 8.49 4.49 0.00 3.76 3.85 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 51 P 0.00 2.99 0.00 1.87 1.20 0.00 3.39 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 1.88 1.61 0.00 52 A 7.54 4.33 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.06 4.46 0.00 1.75 1.76 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 2.10 2.16 0.00 54 E 8.10 4.56 0.00 1.91 1.75 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 2.28 2.30 0.00 55 T 8.30 4.61 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 1.26 0.00 0.00 56 A 8.31 3.78 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 57 L 7.99 4.33 0.00 1.26 1.28 0.92 0.95 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 58 F 7.58 4.75 0.00 2.97 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 59 K 8.73 4.84 0.00 1.81 1.75 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.40 7.81 60 A 8.21 4.39 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.50 4.44 0.00 1.71 1.66 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.35 7.81 62 H 8.66 5.06 0.00 3.14 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.98 4.51 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.99 0.00 0.00 64 S 9.07 4.44 0.00 3.77 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 65 A 8.80 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 66 A 8.10 4.13 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.01 4.26 0.00 3.50 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.95 4.01 0.00 1.72 1.90 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.01 3.92 0.00 1.92 1.87 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 70 I 7.63 3.71 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.61 0.96 0.00 0.00 71 I 7.54 3.77 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.82 0.00 0.00 72 A 7.98 3.94 1.31 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 0.00 0.00 73 K 7.56 3.92 0.00 1.83 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.68 7.81 74 N 7.94 4.42 0.00 2.86 2.77 0.00 0.00 6.99 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.64 4.19 0.00 1.47 1.63 0.79 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.60 4.32 0.00 1.70 1.53 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00