NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5007 8.3001 118.7935 54.5442 33.0341 174.9367 1 A 4.4913 8.4086 123.6801 50.8189 21.2129 174.6991 2 Q 4.2535 8.5309 117.2304 55.9688 30.4068 174.2510 3 A 4.7982 8.6345 125.4653 50.8635 21.5384 175.9765 4 S 5.1544 8.9136 116.6102 56.2976 67.1151 173.5357 5 V 4.3239 8.4896 122.0304 62.8989 32.4084 175.0084 6 V 4.8393 8.6180 127.0624 60.5650 35.0514 174.3591 7 A 4.4438 8.9753 130.1386 52.5355 18.7826 177.3777 8 N 4.7195 9.2016 122.0184 54.4857 39.6536 174.0430 9 Q 4.5948 7.5083 114.0976 55.4860 31.8138 173.4641 10 L 4.2114 8.4615 122.1673 55.3039 42.9190 175.9738 11 I 4.3396 8.7750 128.2272 59.0271 38.5828 173.7240 12 P 4.6410 0.0000 0.0000 61.9220 32.6492 176.2061 13 I 3.9058 8.2283 121.9928 62.8465 38.2799 175.7253 14 N 4.4659 8.6078 122.2601 53.9644 36.8963 174.5706 15 T 4.1723 7.6272 116.2774 63.5142 69.7558 173.9605 16 R 4.6977 8.4497 124.7902 55.5484 31.2215 176.4549 17 L 4.2991 9.2143 125.1476 55.0609 42.9669 176.3741 18 T 4.8649 8.2884 112.1726 59.4577 72.0454 174.9204 19 L 3.9997 8.5794 121.5900 58.1081 41.7371 179.9437 20 V 3.8228 7.6714 109.5504 63.3445 31.8722 176.6176 21 M 4.2962 8.0852 119.2678 56.2536 32.2886 175.2863 22 M 5.2805 7.7713 119.1859 53.3812 35.1532 175.1429 23 R 4.6874 8.9807 119.9339 54.3993 33.4188 174.2047 24 S 5.2381 8.3592 113.4422 56.6186 64.4282 172.5733 25 E 4.7255 8.9231 126.1309 55.1190 33.5918 174.0919 26 V 4.6256 8.3364 119.2677 60.4871 32.2616 175.8976 27 V 4.5855 8.2797 117.7506 59.7941 35.6872 175.0168 28 T 4.6188 8.1240 117.3998 60.8296 71.5137 172.6480 29 P 4.4512 0.0000 0.0000 62.3738 32.1018 175.9995 30 V 3.9358 8.1249 118.8193 62.6983 32.8471 176.1294 31 G 4.3502 8.2088 113.7204 45.6696 0.0000 172.9591 32 I 3.9745 8.5938 124.4797 60.6220 38.3735 174.3307 33 P 4.6475 0.0000 0.0000 62.6776 31.9111 177.3186 34 A 3.9611 8.9416 126.0133 55.5216 17.9779 179.9611 35 E 4.0065 8.1610 115.7898 59.4218 29.9728 178.1954 36 D 4.6628 8.3685 117.4110 54.7892 41.0208 178.0074 37 I 3.6786 7.7193 122.3126 63.9738 37.3164 175.8949 38 P 4.1526 0.0000 0.0000 65.7836 31.1625 178.0417 39 A 4.2841 7.7833 117.4637 53.7058 18.6561 178.0807 40 L 4.3572 7.8225 115.6767 55.5777 42.4600 177.2676 41 V 3.9036 6.9917 118.0395 64.3789 31.6534 176.3001 42 S 4.1887 9.0834 122.4177 58.7967 61.6072 169.5187 43 M 4.4711 7.9586 120.7927 54.6767 33.6119 174.9466 44 Q 4.9783 8.4834 122.7222 55.0718 31.4912 174.8815 45 V 4.5989 8.3993 119.6195 60.7423 33.3558 176.1701 46 N 5.0093 9.1597 121.2920 52.8729 38.4303 174.2132 47 R 4.7484 7.5169 114.1664 54.9391 32.6050 174.3534 48 A 4.2627 8.5527 122.2832 52.0509 19.3690 177.2221 49 V 4.2103 8.8135 123.2274 60.2980 33.4954 173.3815 50 P 4.6647 0.0000 0.0000 61.8246 32.7244 175.9484 51 L 3.9243 8.4864 123.4906 57.3101 42.1008 177.6991 52 G 3.9586 9.1165 114.1471 45.5272 0.0000 173.2538 53 T 4.3494 7.6553 117.2567 62.8920 70.0506 174.4206 54 T 4.4380 8.3652 122.6272 63.4662 69.4854 174.1136 55 L 4.1865 8.8845 127.3461 54.8100 42.7864 176.5237 56 M 4.7300 8.4431 123.2458 52.7835 34.4264 175.1008 57 P 4.0799 0.0000 0.0000 65.9806 31.5226 178.1755 58 D 4.6354 8.0650 114.0199 54.9386 39.6176 176.4078 59 M 4.5832 8.1656 119.1701 54.8803 32.8414 175.4630 60 V 4.6511 7.2945 120.1301 60.3869 33.1359 174.8119 61 K 4.1389 8.8003 128.4465 57.8026 32.1228 177.6514 62 G 3.9318 9.0218 112.2628 45.2778 0.0000 172.3744 63 Y 4.2328 7.6116 121.3900 56.9123 39.1745 174.7361 64 A 4.1571 7.4855 129.1545 50.8166 22.2142 175.4559 65 A 3.8995 7.8757 124.9115 52.9056 19.0120 175.8906 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 4.50 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 1 A 8.41 4.49 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 Q 8.53 4.25 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 3 A 8.63 4.80 1.23 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 0.00 0.00 0.00 4 S 8.91 5.15 0.00 3.70 3.73 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 5 V 8.49 4.32 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 0.94 0.00 0.00 0.92 0.00 0.00 6 V 8.62 4.84 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.92 0.00 0.00 7 A 8.98 4.44 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 8 N 9.20 4.72 0.00 2.70 2.96 0.00 0.00 7.07 6.85 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 9 Q 7.51 4.59 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 10 L 8.46 4.21 0.00 1.67 1.62 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.77 4.34 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 1.22 0.65 0.90 0.00 0.00 12 P 0.00 4.64 0.00 2.07 1.96 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 13 I 8.23 3.91 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 0.82 0.91 0.00 0.00 14 N 8.61 4.47 0.00 2.96 2.95 0.00 0.00 7.03 7.12 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 15 T 7.63 4.17 4.32 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 1.21 0.00 0.00 16 R 8.45 4.70 0.00 1.70 1.87 0.00 3.21 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 17 L 9.21 4.30 0.00 1.73 1.58 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.29 4.86 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 19 L 8.58 4.00 0.00 1.73 1.77 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.67 3.82 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 0.70 0.00 0.00 0.93 0.00 0.00 21 M 8.09 4.30 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 22 M 7.77 5.28 0.00 1.78 1.92 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 8.98 4.69 0.00 1.83 2.02 0.00 2.72 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 24 S 8.36 5.24 0.00 3.87 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 25 E 8.92 4.73 0.00 2.05 1.70 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 2.20 2.28 0.00 26 V 8.34 4.63 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 0.80 0.00 0.00 0.93 0.00 0.00 27 V 8.28 4.59 2.07 0.00 0.00 0.00 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 0.92 0.00 0.00 28 T 8.12 4.62 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 29 P 0.00 4.45 0.00 2.17 2.06 0.00 3.75 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 1.98 1.95 0.00 30 V 8.12 3.94 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.21 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.59 3.97 1.70 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.75 0.00 0.00 33 P 0.00 4.65 0.00 2.11 2.13 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 34 A 8.94 3.96 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 35 E 8.16 4.01 0.00 1.95 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 0.00 2.33 2.47 0.00 36 D 8.37 4.66 0.00 2.85 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 37 I 7.72 3.68 1.87 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 1.51 0.73 0.91 0.00 0.00 38 P 0.00 4.15 0.00 2.18 2.15 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 39 A 7.78 4.28 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.36 0.00 1.89 1.71 0.84 0.76 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 41 V 6.99 3.90 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 0.81 0.00 0.00 1.03 0.00 0.00 42 S 9.08 4.19 0.00 4.07 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.96 4.47 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 44 Q 8.48 4.98 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 45 V 8.40 4.60 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.01 0.00 0.00 46 N 9.16 5.01 0.00 2.81 3.04 0.00 0.00 6.50 7.25 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 47 R 7.52 4.75 0.00 1.78 1.89 0.00 3.03 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 48 A 8.55 4.26 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 49 V 8.81 4.21 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 0.98 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.66 0.00 2.10 1.95 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 51 L 8.49 3.92 0.00 1.57 1.61 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.12 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.66 4.35 4.28 0.00 0.00 0.00 0.00 0.00 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 54 T 8.37 4.44 4.22 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 1.23 0.00 0.00 55 L 8.88 4.19 0.00 1.70 1.48 0.88 0.95 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 56 M 8.44 4.73 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 57 P 0.00 4.08 0.00 2.27 2.45 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 58 D 8.07 4.64 0.00 2.80 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 M 8.17 4.58 0.00 2.07 2.18 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 2.53 2.40 0.00 60 V 7.29 4.65 2.04 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 1.03 0.00 0.00 0.79 0.00 0.00 61 K 8.80 4.14 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 62 G 9.02 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 63 Y 7.61 4.23 0.00 2.84 2.99 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 64 A 7.49 4.16 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00