NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3914 8.3001 120.3279 55.1077 33.6524 174.1637 1 A 4.3252 8.7059 121.2994 51.3253 20.3819 175.1856 2 K 5.2337 9.2191 118.8665 54.4853 36.4498 173.8336 3 W 5.4215 9.4643 122.7569 54.9128 33.2665 174.5476 4 V 4.8199 8.8367 123.7270 60.0243 33.7825 174.6229 5 C 3.3827 9.0971 125.0859 58.9594 31.7879 173.9986 6 K 4.1541 8.7508 126.4528 58.2627 31.6269 178.8577 7 I 3.9572 7.8055 121.2860 63.6269 37.4508 176.4831 8 C 4.6108 8.1377 110.9815 57.3743 31.0859 174.7942 9 G 3.9428 8.3343 108.7121 44.8057 0.0000 173.0261 10 Y 4.2556 7.9022 121.1590 58.3527 40.0195 174.9319 11 I 4.7207 7.4561 126.3253 59.7046 38.8713 174.8996 12 Y 4.2860 9.2536 130.4743 57.2033 39.5989 173.7877 13 D 4.6821 7.9363 128.0515 52.6293 42.1654 176.4134 14 E 3.7955 8.9718 127.3338 59.7306 30.0197 179.7558 15 D 4.3405 8.3893 118.4003 56.7244 41.0660 177.3085 16 A 4.2116 7.8932 121.1354 51.8086 19.9755 179.0733 17 G 3.9878 7.8993 103.8367 45.9961 0.0000 174.1938 18 D 5.0011 8.6180 111.6937 52.8295 42.6704 174.9586 19 P 4.4442 0.0000 0.0000 65.6891 32.0882 179.3319 20 D 4.5187 8.2355 117.4981 56.3907 40.8226 176.4678 21 N 4.9277 8.4771 115.9495 52.9249 39.2210 175.0542 22 G 3.8999 8.5716 104.9188 45.5233 0.0000 173.9895 23 I 4.4446 7.5900 120.1998 58.7623 39.2433 175.4409 24 S 4.5410 8.4393 120.4062 56.9797 63.7905 171.9745 25 P 4.2266 0.0000 0.0000 64.8009 31.4012 176.8694 26 G 3.9347 9.1465 111.1142 45.3885 0.0000 173.4007 27 T 4.1675 7.2904 117.1193 62.3554 69.0111 175.0717 28 K 4.3599 8.5004 126.3017 56.1564 33.1421 177.6284 29 F 3.1983 9.4422 125.1746 61.1987 39.1561 177.5057 30 E 3.8459 8.0873 118.1535 59.1241 29.3061 177.7177 31 E 4.0985 7.6989 116.2724 56.9817 30.0063 177.0469 32 L 3.6230 6.6436 119.3465 53.7044 42.1516 175.4178 33 P 4.2990 0.0000 0.0000 62.7547 31.8965 177.2737 34 D 4.2412 8.6538 120.6078 56.9657 40.8484 177.2516 35 D 4.7759 7.8250 115.7536 52.3814 39.7979 176.1847 36 W 4.1422 8.0122 130.1912 57.9985 31.0892 175.4210 37 V 4.3101 6.6624 116.3272 58.6828 35.1704 174.9793 38 C 3.7006 8.6568 122.2213 59.2353 31.5621 173.0921 39 P 4.1087 0.0000 0.0000 64.7223 31.3466 177.4474 40 I 3.9597 7.2975 119.7575 63.2722 37.5793 176.3301 41 C 4.4002 7.9490 112.0719 57.5527 30.7427 174.7240 42 G 3.7474 8.1105 108.3264 45.1771 0.0000 173.6001 43 A 4.0971 7.6192 123.1307 51.0254 19.1949 176.0934 44 P 4.8208 0.0000 0.0000 62.1553 32.4605 177.5370 45 K 4.3848 8.8298 118.0033 59.6073 32.0600 179.6550 46 S 4.3411 8.3649 112.4197 61.1220 62.8809 174.7309 47 E 4.4747 8.7544 119.3347 56.4284 29.4432 175.2572 48 F 5.2248 8.3474 118.2774 56.0864 41.0272 174.8106 49 E 4.7347 9.0296 123.2293 54.0318 32.0017 174.9917 50 K 2.9560 8.1361 128.5362 56.0715 32.8076 177.2932 51 L 4.4569 8.1837 129.3495 52.6892 39.9001 175.5848 52 E 4.5616 7.5556 117.9681 54.6127 32.4383 175.7712 53 D 4.4060 8.5156 118.4344 54.6970 41.2561 175.9872 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 0 M 8.30 4.39 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 1 A 8.71 4.33 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 2 K 9.22 5.23 0.00 1.69 1.68 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.59 7.81 3 W 9.46 5.42 0.00 3.38 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 4 V 8.84 4.82 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 0.73 0.00 0.00 0.93 0.00 0.00 5 C 9.10 3.38 0.00 2.57 2.81 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 6 K 8.75 4.15 0.00 1.71 1.82 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 7 I 7.81 3.96 1.83 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 1.42 0.74 0.90 0.00 0.00 8 C 8.14 4.61 0.00 3.06 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 9 G 8.33 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 10 Y 7.90 4.26 0.00 3.21 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 4.72 1.69 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 1.16 0.95 0.86 0.00 0.00 12 Y 9.25 4.29 0.00 3.50 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 13 D 7.94 4.68 0.00 2.63 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 0.00 0.00 0.00 14 E 8.97 3.80 0.00 2.11 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 2.80 2.70 0.00 15 D 8.39 4.34 0.00 2.78 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 16 A 7.89 4.21 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 17 G 7.90 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 0.00 0.00 0.00 18 D 8.62 5.00 0.00 3.25 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 19 P 0.00 4.44 0.00 2.30 2.34 0.00 3.85 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 20 D 8.24 4.52 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.48 4.93 0.00 2.99 2.77 0.00 0.00 7.16 7.17 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 22 G 8.57 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 0.00 0.00 0.00 23 I 7.59 4.44 2.19 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.90 0.89 0.00 0.00 24 S 8.44 4.54 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.06 2.21 0.00 3.67 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 2.04 2.27 0.00 26 G 9.15 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 0.00 0.00 0.00 27 T 7.29 4.17 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 1.07 0.00 0.00 28 K 8.50 4.36 0.00 1.82 1.96 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.47 7.81 29 F 9.44 3.20 0.00 1.89 1.93 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 30 E 8.09 3.85 0.00 1.96 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 2.38 2.47 0.00 31 E 7.70 4.10 0.00 1.96 1.87 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 2.26 2.36 0.00 32 L 6.64 3.62 0.00 0.70 0.68 -1.92 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.30 0.00 2.26 1.95 0.00 3.46 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 34 D 8.65 4.24 0.00 2.63 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 35 D 7.82 4.78 0.00 2.75 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 36 W 8.01 4.14 0.00 3.06 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 37 V 6.66 4.31 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 0.72 0.00 0.00 0.61 0.00 0.00 38 C 8.66 3.70 0.00 3.22 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 39 P 0.00 4.11 0.00 2.00 2.08 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.65 0.00 40 I 7.30 3.96 1.86 0.00 0.00 0.84 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 0.97 0.93 0.00 0.00 41 C 7.95 4.40 0.00 3.03 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 42 G 8.11 3.75 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 0.00 0.00 0.00 43 A 7.62 4.10 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 44 P 0.00 4.82 0.00 2.33 2.26 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 45 K 8.83 4.38 0.00 1.90 1.98 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.69 7.81 46 S 8.36 4.34 0.00 4.08 4.12 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 47 E 8.75 4.47 0.00 2.09 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 2.46 0.00 48 F 8.35 5.22 0.00 3.16 3.06 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 0.00 0.00 0.00 49 E 9.03 4.73 0.00 2.03 1.78 0.00 0.00 0.00 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 50 K 8.14 2.96 0.00 0.79 0.96 0.00 1.18 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.72 0.21 7.81 51 L 8.18 4.46 0.00 1.50 1.52 0.90 0.75 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 52 E 7.56 4.56 0.00 1.93 1.72 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 0.00 1.94 2.14 0.00 53 D 8.52 4.41 0.00 2.62 2.55 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 0.00 0.00 0.00 0.00