NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5364 8.1633 120.6113 55.5582 34.1808 173.9765 2 Q 5.0453 8.4064 122.6562 52.4695 33.4486 172.5771 3 I 4.9764 9.3876 116.5077 59.4918 42.1836 173.3225 4 F 4.9849 8.9439 123.3545 56.2178 41.0256 174.8898 5 V 4.3332 8.6924 124.7203 61.6187 33.0627 174.2841 6 K 5.0985 9.0124 130.6408 54.9015 34.0077 175.4022 7 T 4.3777 8.7799 118.8084 61.0470 69.7500 175.4947 8 L 3.9030 7.8961 123.2932 58.7115 42.3593 178.4326 9 T 3.8508 7.9861 111.8483 65.7533 67.8788 172.5228 10 G 3.3560 6.5887 107.8923 44.3548 0.0000 173.5580 11 K 4.5205 8.4670 122.0048 55.8732 36.0941 175.2711 12 T 5.1561 8.6351 118.3430 60.8137 70.7256 174.3025 13 I 4.6635 8.5837 124.0324 59.6602 41.7696 174.8309 14 T 2.9271 7.8346 122.9909 63.3889 69.2847 174.1223 15 L 4.1990 8.2699 127.9599 53.9041 44.9743 173.9782 16 E 4.6218 8.6421 128.4342 56.0074 30.4723 176.2410 17 V 4.5146 8.2798 119.3634 59.9089 36.1239 174.4544 18 E 4.1124 8.8745 125.2278 56.0225 29.9714 178.0070 19 S 4.0995 8.8436 118.0001 61.5742 63.2616 176.5815 20 S 4.1066 8.1029 114.3042 60.7539 62.3414 174.3920 21 D 4.3329 7.4747 119.4519 54.6290 40.6204 176.4993 22 T 4.3255 8.2079 117.9041 61.2559 68.7579 174.9653 23 I 3.6624 7.9449 123.0051 64.2456 36.8311 177.9085 24 D 4.3242 8.1966 118.5022 57.6262 40.8241 178.0216 25 N 4.2469 7.7801 115.9712 56.6380 38.9583 176.8507 26 V 3.5177 7.6311 119.0493 66.1147 31.5470 177.9099 27 K 3.9451 8.2561 118.2675 59.4469 31.8328 179.4063 28 S 4.0977 7.9946 115.3647 61.6506 62.8296 176.9110 29 K 3.9368 7.9543 120.9475 59.6064 31.7178 179.4140 30 I 3.6803 7.8681 120.0332 64.3053 36.9910 178.2948 31 Q 4.1944 8.1481 121.8877 58.8386 28.7241 178.0153 32 D 4.3461 7.8145 118.5424 57.3858 40.9111 178.4323 33 K 4.0714 7.9143 119.0459 59.4804 32.4194 178.4720 34 E 4.1189 8.3677 118.9502 57.1808 30.6025 177.5624 35 G 3.8167 8.8061 104.8544 45.7621 0.0000 173.6781 36 I 4.6152 7.1368 117.5907 58.4365 41.7166 173.9619 37 P 4.4262 0.0000 0.0000 62.2022 31.9323 175.5269 38 P 4.2221 0.0000 0.0000 65.8064 31.5784 177.3999 39 D 4.4379 8.1672 115.9788 57.3595 41.5861 177.0390 40 Q 4.1008 8.2347 119.8895 59.0978 29.2868 175.7551 41 Q 4.4734 7.7552 115.4443 56.0736 29.8620 175.1941 42 R 4.5921 8.8259 121.5368 54.8066 33.5423 173.8855 43 L 5.1338 8.6195 126.1450 54.1898 43.8809 175.7226 44 I 5.2230 8.5560 122.4174 59.8583 41.4431 174.2524 45 F 5.1330 9.5107 125.0989 57.9147 43.4207 173.5344 46 A 3.3099 8.7542 126.1211 53.1871 15.8555 177.0121 47 G 3.9983 8.2125 103.1219 47.1150 0.0000 174.6651 48 K 4.5150 7.7925 117.5804 54.6111 36.5296 175.5648 49 Q 4.7767 8.6316 123.3212 55.5060 29.4644 175.9172 50 L 4.5018 8.6315 125.1517 55.0076 42.1386 176.8146 51 E 4.3586 8.8466 123.8912 55.1130 30.4833 177.3939 52 D 4.7103 8.4805 124.3590 53.5627 40.4092 176.3226 53 G 4.3619 7.3358 99.2851 44.8984 0.0000 173.6862 54 R 4.7337 7.6330 117.7677 54.1266 34.3913 175.4970 55 T 4.0371 8.4644 112.4375 61.2911 69.8401 175.4925 56 L 3.7813 8.0888 123.1966 57.8199 41.2921 179.9406 57 S 4.1921 8.1178 114.1328 61.9767 62.8614 175.9889 58 D 4.5951 7.6724 118.6462 57.8418 40.6812 178.3417 59 Y 4.0656 8.5388 115.5612 58.6414 38.4579 175.4716 60 N 4.2432 8.3624 116.5007 54.4316 37.7829 174.4668 61 I 4.1565 7.8700 117.4930 61.1313 38.0757 176.8187 62 Q 4.2158 8.6422 123.8991 55.2969 29.3069 176.1224 63 K 3.9601 8.4695 121.9983 57.7786 32.7800 176.5005 64 E 3.9926 8.6224 125.1536 57.6897 27.5971 174.8917 65 S 4.4942 7.7327 113.1464 58.4302 64.8853 174.0422 66 T 4.9908 8.2171 119.2861 62.6440 69.7670 174.0610 67 L 4.7329 8.5953 125.9891 53.0950 44.6000 175.4693 68 H 4.7763 9.0098 121.6855 55.5951 29.3127 174.1797 69 L 4.6899 8.8148 125.9519 54.1367 44.0507 175.7292 70 V 4.5191 8.6563 125.5649 61.5423 34.7014 173.5332 71 L 4.8907 8.5325 128.8625 53.6485 42.4872 176.9913 72 R 4.0087 8.6411 125.6784 56.1290 30.5971 176.1651 73 L 4.1326 8.5008 128.3045 54.5833 42.8805 176.7140 74 R 4.0612 8.5143 124.7798 56.1299 30.7011 177.0438 75 G 3.7574 8.8924 111.4031 48.5364 0.0000 173.6409 76 G 3.8342 8.0907 112.2284 45.7226 0.0000 172.9319 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 8.16 4.54 0.00 2.36 1.99 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 2 Q 8.41 5.05 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 3 I 9.39 4.98 1.94 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 1.30 0.73 0.85 0.00 0.00 4 F 8.94 4.98 0.00 3.01 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 5 V 8.69 4.33 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 0.87 0.00 0.00 0.88 0.00 0.00 6 K 9.01 5.10 0.00 1.90 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.38 7.81 7 T 8.78 4.38 4.25 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 1.22 0.00 0.00 8 L 7.90 3.90 0.00 1.85 1.77 0.92 0.93 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 9 T 7.99 3.85 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 1.22 0.00 0.00 10 G 6.59 3.36 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 0.00 0.00 0.00 11 K 8.47 4.52 0.00 1.78 1.64 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.41 7.81 12 T 8.64 5.16 4.59 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 1.24 0.00 0.00 13 I 8.58 4.66 1.80 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 1.23 0.82 0.79 0.00 0.00 14 T 7.83 2.93 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 1.00 0.00 0.00 15 L 8.27 4.20 0.00 1.59 1.54 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.64 4.62 0.00 1.97 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 2.45 2.25 0.00 17 V 8.28 4.51 2.03 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 0.61 0.00 0.00 0.87 0.00 0.00 18 E 8.87 4.11 0.00 2.29 1.85 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 2.38 2.23 0.00 19 S 8.84 4.10 0.00 4.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.10 4.11 0.00 3.85 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 21 D 7.47 4.33 0.00 2.83 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.33 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 I 7.94 3.66 1.96 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.88 0.00 0.00 24 D 8.20 4.32 0.00 2.77 2.68 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 0.00 0.00 0.00 0.00 25 N 7.78 4.25 0.00 2.89 2.92 0.00 0.00 6.84 7.56 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 26 V 7.63 3.52 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 1.05 0.00 0.00 0.90 0.00 0.00 27 K 8.26 3.95 0.00 1.93 1.83 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.85 7.81 28 S 7.99 4.10 0.00 4.05 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 29 K 7.95 3.94 0.00 1.93 1.82 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.64 7.81 30 I 7.87 3.68 2.01 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 1.37 0.88 1.01 0.00 0.00 31 Q 8.15 4.19 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 32 D 7.81 4.35 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.07 0.00 1.73 1.76 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 34 E 8.37 4.12 0.00 2.10 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 2.32 2.29 0.00 35 G 8.81 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.14 4.62 1.87 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 0.95 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.17 1.98 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.22 0.00 2.03 2.11 0.00 3.68 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 2.02 2.07 0.00 39 D 8.17 4.44 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 4.10 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 41 Q 7.76 4.47 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.34 0.00 0.00 0.00 0.00 0.00 2.69 2.37 0.00 42 R 8.83 4.59 0.00 1.89 1.97 0.00 3.11 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 43 L 8.62 5.13 0.00 1.68 1.60 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.56 5.22 1.96 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 1.17 0.97 0.96 0.00 0.00 45 F 9.51 5.13 0.00 3.05 2.93 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 46 A 8.75 3.31 0.73 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 0.00 0.00 47 G 8.21 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 0.00 0.00 0.00 48 K 7.79 4.51 0.00 1.85 1.61 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.48 7.81 49 Q 8.63 4.78 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 50 L 8.63 4.50 0.00 1.61 1.67 1.21 0.69 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 51 E 8.85 4.36 0.00 2.02 1.94 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 2.38 2.38 0.00 52 D 8.48 4.71 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.34 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 0.00 0.00 0.00 0.00 54 R 7.63 4.73 0.00 2.09 2.12 0.00 3.37 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 55 T 8.46 4.04 4.25 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 1.26 0.00 0.00 56 L 8.09 3.78 0.00 1.88 1.70 0.89 0.56 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 57 S 8.12 4.19 0.00 3.87 3.98 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 D 7.67 4.60 0.00 3.06 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 59 Y 8.54 4.07 0.00 3.08 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 60 N 8.36 4.24 0.00 2.92 2.94 0.00 0.00 7.31 7.27 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 61 I 7.87 4.16 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.86 0.75 0.00 0.00 62 Q 8.64 4.22 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 63 K 8.47 3.96 0.00 1.73 1.73 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.48 7.81 64 E 8.62 3.99 0.00 2.19 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 2.34 2.30 0.00 65 S 7.73 4.49 0.00 3.49 3.26 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 66 T 8.22 4.99 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 1.28 0.00 0.00 67 L 8.60 4.73 0.00 1.56 1.55 0.85 0.58 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 68 H 9.01 4.78 0.00 3.27 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.81 4.69 0.00 1.86 1.55 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.66 4.52 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 1.00 0.00 0.00 0.97 0.00 0.00 71 L 8.53 4.89 0.00 1.58 1.60 0.93 0.97 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 72 R 8.64 4.01 0.00 1.83 1.85 0.00 3.27 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 73 L 8.50 4.13 0.00 1.63 1.56 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.51 4.06 0.00 1.84 1.86 0.00 3.44 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 75 G 8.89 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 0.00 0.00 0.00 76 G 8.09 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 0.00 0.00 0.00