NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4575 8.2893 118.1938 54.4318 32.5806 174.9923 2 K 3.9020 8.2932 119.0722 55.9551 33.1375 174.8174 3 P 4.5902 0.0000 0.0000 61.4470 33.7253 177.3549 4 V 3.9472 8.0558 118.6750 63.7586 32.1751 175.4366 5 T 5.1111 8.8085 115.3249 59.5229 73.2289 174.7014 6 L 3.5321 8.6189 120.3756 58.8277 40.2335 178.7228 7 Y 3.9428 8.0408 117.5253 60.9230 37.8343 177.9547 8 D 4.3766 7.9945 119.2684 57.7112 41.2043 179.2092 9 V 3.8392 7.6289 112.0051 63.9708 31.4219 178.6111 10 A 4.0783 8.2959 121.4416 54.9696 17.9599 179.5581 11 E 3.9604 8.1764 116.6148 59.5284 29.6291 178.5487 12 Y 4.1420 8.3990 118.7501 60.8578 39.0748 178.0321 13 A 4.1549 8.3513 120.4084 53.4583 18.4528 177.6604 14 G 4.3021 8.1455 110.9133 46.2091 0.0000 174.8060 15 V 3.8011 7.2580 110.5565 60.7654 31.5042 174.3475 16 S 4.7923 7.9977 114.8946 57.1871 65.3546 174.8369 17 V 3.5575 7.9121 111.5518 63.5604 31.2911 178.4115 18 A 3.9393 7.6660 121.2022 55.0674 18.2667 179.8837 19 T 3.9045 7.6656 113.9360 66.7544 68.6628 177.1322 20 V 3.5112 7.4101 120.0621 66.1772 31.3277 178.2438 21 S 3.8126 8.0432 113.8402 61.3564 62.8206 176.8468 22 R 4.0357 7.4531 119.8396 59.2975 29.8529 179.0940 23 V 3.6554 7.6146 117.6838 66.1271 31.2949 178.1666 24 V 3.7117 8.3807 117.5961 65.3588 31.2977 176.4883 25 N 4.8083 7.8972 114.6063 52.6094 40.3078 174.7705 26 Q 3.3357 7.9478 115.2097 59.8954 26.8185 177.5136 27 A 3.2173 8.9645 116.7505 50.8207 19.8295 178.2748 28 S 4.4931 9.1182 118.5464 57.9651 62.6723 171.2444 29 H 5.0094 7.8980 115.0439 55.3729 29.7972 173.1239 30 V 4.4504 7.6889 117.8245 60.0099 34.4982 175.7374 31 S 4.2719 8.5309 121.4058 58.1322 64.9310 174.9658 32 A 3.9737 8.6492 125.8866 55.5876 18.0295 180.1004 33 K 4.0316 8.0025 117.2727 60.0473 32.2318 178.9905 34 T 3.8675 7.7502 115.5142 66.4549 68.4578 176.2257 35 R 3.8801 8.4164 121.1071 59.8296 29.9773 178.4469 36 E 4.0155 8.1623 117.9697 58.9258 29.2019 178.9704 37 K 3.8492 8.3266 120.2899 59.9162 32.2209 179.1412 38 V 3.7521 8.1210 112.4829 64.0137 31.5568 178.4858 39 E 3.9824 8.3559 118.3347 59.2374 29.3446 179.1727 40 A 4.0103 8.4972 121.0979 55.0321 18.3196 179.5464 41 A 4.1169 7.7638 119.1483 55.6852 18.4428 179.6006 42 M 3.9854 8.5861 117.3182 58.5128 31.5162 178.9077 43 A 4.0129 8.0922 120.6970 55.1952 18.4024 179.4363 44 E 3.9157 7.7258 115.3187 59.8066 29.7153 179.5662 45 L 3.9530 7.2258 116.8367 55.0074 43.0351 175.6864 46 N 4.0872 7.4847 114.9077 53.9645 36.6227 173.0847 47 Y 4.3413 8.7920 120.9273 57.3772 40.0178 174.9203 48 I 3.9831 7.3047 127.0425 58.8657 40.5811 173.3932 49 P 4.3814 0.0000 0.0000 62.1450 32.6202 175.3988 50 N 4.8780 8.2584 115.4756 51.3174 40.7473 176.0125 51 R 3.9263 8.6086 125.4129 59.3579 30.0402 178.1595 52 C 4.0308 7.9846 117.9443 62.3765 31.8216 174.8862 53 A 3.8677 8.0829 121.8613 55.5536 17.7410 179.5432 54 Q 3.9612 8.1880 116.2895 59.0710 28.5821 178.8652 55 Q 3.9598 7.9477 118.0844 58.9359 29.0120 178.2654 56 L 4.0392 8.7338 121.7652 58.3027 41.9929 178.8940 57 A 3.9453 8.1136 121.0842 54.9377 18.4641 178.5764 58 G 3.8120 8.2293 102.7788 46.3008 0.0000 173.8865 59 K 4.5106 7.6885 122.0932 55.5450 31.2977 176.2485 60 Q 4.0118 7.3175 118.7653 57.9279 29.4716 177.0832 61 S 4.7147 7.7838 115.2236 59.0023 63.9782 174.6301 62 L 4.3201 7.8687 125.9939 54.9300 41.7409 176.5108 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 4.46 0.00 2.14 2.14 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 2.46 2.54 0.00 2 K 8.29 3.90 0.00 1.95 1.85 0.00 1.47 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.58 7.81 3 P 0.00 4.59 0.00 2.07 2.06 0.00 3.70 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 2.02 2.06 0.00 4 V 8.06 3.95 2.18 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 0.91 0.00 0.00 1.03 0.00 0.00 5 T 8.81 5.11 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 6 L 8.62 3.53 0.00 1.68 1.67 0.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.04 3.94 0.00 3.01 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 8 D 7.99 4.38 0.00 2.90 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 9 V 7.63 3.84 1.91 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 0.44 0.00 0.00 0.77 0.00 0.00 10 A 8.30 4.08 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 E 8.18 3.96 0.00 2.36 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 2.42 2.53 0.00 12 Y 8.40 4.14 0.00 3.06 3.11 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 0.00 0.00 0.00 13 A 8.35 4.15 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 14 G 8.15 4.30 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 0.00 15 V 7.26 3.80 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 0.74 0.00 0.00 0.96 0.00 0.00 16 S 8.00 4.79 0.00 3.95 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 17 V 7.91 3.56 1.68 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 -0.15 0.00 0.00 0.68 0.00 0.00 18 A 7.67 3.94 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 19 T 7.67 3.90 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 20 V 7.41 3.51 1.91 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 0.73 0.00 0.00 0.89 0.00 0.00 21 S 8.04 3.81 0.00 3.93 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 R 7.45 4.04 0.00 2.17 2.11 0.00 3.30 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 23 V 7.61 3.66 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 1.14 0.00 0.00 0.97 0.00 0.00 24 V 8.38 3.71 2.25 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 0.98 0.00 0.00 1.14 0.00 0.00 25 N 7.90 4.81 0.00 3.01 2.80 0.00 0.00 7.38 7.31 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 26 Q 7.95 3.34 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.03 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 27 A 8.96 3.22 1.27 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 0.00 0.00 28 S 9.12 4.49 0.00 4.06 4.09 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 0.00 0.00 0.00 29 H 7.90 5.01 0.00 3.05 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.69 4.45 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 0.86 0.00 0.00 0.95 0.00 0.00 31 S 8.53 4.27 0.00 4.08 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 32 A 8.65 3.97 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 33 K 8.00 4.03 0.00 1.87 1.81 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.59 7.81 34 T 7.75 3.87 4.36 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 0.00 0.00 1.20 0.00 0.00 35 R 8.42 3.88 0.00 1.79 2.17 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 36 E 8.16 4.02 0.00 2.26 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 2.34 2.45 0.00 37 K 8.33 3.85 0.00 1.94 2.00 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 38 V 8.12 3.75 2.02 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 0.88 0.00 0.00 0.94 0.00 0.00 39 E 8.36 3.98 0.00 2.22 2.02 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 2.35 2.56 0.00 40 A 8.50 4.01 1.41 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 41 A 7.76 4.12 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.59 3.99 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.42 0.00 43 A 8.09 4.01 1.41 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 44 E 7.73 3.92 0.00 1.70 2.02 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 2.44 2.66 0.00 45 L 7.23 3.95 0.00 1.49 1.63 0.64 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.48 4.09 0.00 2.88 2.90 0.00 0.00 7.14 7.42 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 47 Y 8.79 4.34 0.00 2.84 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.30 3.98 1.69 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 1.32 0.60 0.76 0.00 0.00 49 P 0.00 4.38 0.00 2.29 2.09 0.00 3.45 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 50 N 8.26 4.88 0.00 2.74 2.75 0.00 0.00 6.45 7.66 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 51 R 8.61 3.93 0.00 1.90 1.92 0.00 3.21 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 52 C 7.98 4.03 0.00 3.03 2.90 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 53 A 8.08 3.87 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 54 Q 8.19 3.96 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 55 Q 7.95 3.96 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 56 L 8.73 4.04 0.00 1.85 1.67 0.93 0.72 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 57 A 8.11 3.95 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 58 G 8.23 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 59 K 7.69 4.51 0.00 1.87 1.90 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.37 7.81 60 Q 7.32 4.01 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.39 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 61 S 7.78 4.71 0.00 3.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.32 0.00 1.60 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00