NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3761 8.3349 115.4119 58.1138 63.2372 172.2749 2 D 4.8237 7.9683 128.7181 52.9008 43.8770 174.0483 3 S 4.6269 8.8957 115.7726 57.4789 67.8068 174.5109 4 C 4.6403 8.0006 120.8567 54.7410 42.0163 172.2984 5 D 4.4878 8.5510 119.9820 56.0062 40.3638 176.6199 6 G 3.8671 8.8507 114.2183 45.6366 0.0000 172.3203 7 V 4.1445 7.9802 121.3082 60.6844 32.7200 174.3643 8 E 4.5221 8.6786 126.0204 55.4358 29.5964 175.7456 9 C 4.9855 9.2550 120.9069 54.8502 41.8420 171.0923 10 G 3.6852 8.4764 113.2412 44.8160 0.0000 172.7812 11 P 4.5369 0.0000 0.0000 63.0897 30.2497 176.2992 12 G 4.0529 9.2910 109.2631 44.8750 0.0000 170.5875 13 K 5.1673 8.0195 118.0447 54.4552 36.6590 175.2400 14 A 5.1259 9.2420 125.7584 50.1137 22.5395 172.3913 15 C 5.5276 8.7677 114.5482 53.7485 44.8985 173.2773 16 R 4.8007 8.7322 120.3242 54.9814 33.9087 173.6128 17 M 4.6114 8.6190 124.4396 54.9001 33.0243 176.1065 18 L 4.2658 9.2702 125.8985 53.7681 42.5628 178.1206 19 G 4.0265 9.1849 116.3396 45.5902 0.0000 172.7866 20 G 4.0642 9.0550 111.2035 44.5037 0.0000 173.1925 21 R 4.7837 7.9522 117.7232 53.4903 32.2595 173.1692 22 P 4.9870 0.0000 0.0000 62.5430 32.4895 175.5784 23 R 4.7676 8.9919 122.9319 54.4152 33.4463 173.9619 24 C 5.5302 8.6826 120.8843 54.9575 45.8058 172.8643 25 E 4.8475 9.1635 124.3576 54.3126 33.6920 174.2296 26 C 5.4391 9.3020 119.5741 57.4996 36.1160 172.7225 27 A 4.9069 8.1614 125.0995 48.7907 22.5968 173.0800 28 P 4.3534 0.0000 0.0000 63.0781 31.7983 176.8552 29 D 4.5251 8.5951 126.1558 53.0011 38.0798 176.3289 30 C 4.6057 8.2772 123.7684 56.7133 39.8233 175.3196 31 S 4.4050 7.9439 127.8847 57.8597 62.2083 177.0847 32 G 4.0036 8.4575 101.4987 44.9074 0.0000 171.6494 33 L 4.5266 7.4391 122.5554 53.9178 43.7776 174.2440 34 P 4.4260 0.0000 0.0000 62.2870 31.8709 176.3373 35 A 4.3080 8.6613 124.9272 52.4848 17.9838 177.5433 36 R 4.3901 7.6927 117.1693 57.0623 32.2864 175.9491 37 L 4.3243 7.7217 120.4013 53.9726 42.6358 176.2149 38 Q 4.7682 8.8615 125.8046 56.0288 30.3472 175.9486 39 V 4.7792 8.3565 118.2713 60.9368 35.3595 171.6986 40 C 5.1234 8.9572 124.1669 55.3028 39.8064 173.7433 41 G 4.2309 8.6238 113.4410 45.0633 0.0000 174.3939 42 S 4.4255 8.3925 115.3320 61.2106 62.5791 176.6104 43 D 4.3494 8.2152 119.1546 57.1539 39.4021 176.5203 44 G 3.6603 7.2500 104.7488 44.6896 0.0000 173.2593 45 A 4.4280 8.5375 124.2576 50.5468 20.6342 176.8731 46 T 4.4837 8.0121 118.2473 62.7115 68.5648 174.8047 47 Y 4.2909 8.9361 125.4417 57.0745 38.5228 177.3742 48 R 3.9493 8.7014 120.8263 59.5763 30.6618 176.2806 49 D 5.0950 7.7317 116.6517 52.0957 43.0052 175.7571 50 E 3.8600 8.6227 119.5146 59.9860 29.3190 179.3152 51 C 4.2589 8.2438 117.5933 59.4938 41.6843 174.6351 52 E 3.8588 8.5452 121.0340 59.3007 29.1129 178.7146 53 L 3.1665 7.6653 119.6883 58.0746 41.9520 179.2084 54 R 3.8543 7.5501 115.8838 58.8537 30.1666 178.8518 55 A 4.0480 7.9305 120.6049 55.1971 18.4135 179.3505 56 A 3.9736 7.8617 119.1667 55.2187 18.4367 179.5112 57 R 4.5880 7.9032 118.6391 59.4208 30.1109 177.8241 58 C 4.4209 8.1602 117.3151 58.6883 43.4729 174.1774 59 R 4.3135 7.3963 119.4424 56.5601 29.4817 176.9377 60 G 3.8799 8.5749 103.9306 46.3020 0.0000 174.9622 61 H 4.9943 7.8249 115.5247 52.9819 28.9990 172.5882 62 P 4.3275 0.0000 0.0000 65.2638 31.8466 177.8777 63 D 4.4024 7.9735 116.1933 55.6559 41.0769 175.9089 64 L 4.0237 7.6834 121.1607 55.3142 42.1726 175.7376 65 S 4.7956 8.9064 122.0214 56.3078 67.7301 173.7147 66 V 3.8622 8.3376 122.1468 63.8676 31.3608 175.2333 67 M 4.5476 8.6020 128.4158 56.8824 32.8039 175.8412 68 Y 4.6602 7.0397 113.6112 56.3387 40.3802 173.5501 69 R 4.6022 8.6302 120.3383 55.9026 31.8801 177.8817 70 G 3.8779 8.5779 107.0355 45.7056 0.0000 173.5758 71 R 4.0468 8.4585 119.6744 56.2778 30.6937 178.1137 72 C 4.5615 8.7671 123.5114 56.2358 41.7055 171.8989 73 R 4.5049 8.5662 122.4777 54.6190 31.0961 176.8868 74 K 4.1655 8.5758 121.9693 56.5335 32.2376 175.8385 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 S 8.33 4.38 0.00 3.99 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 2 D 7.97 4.82 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.90 4.63 0.00 3.79 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.00 4.64 0.00 2.90 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 D 8.55 4.49 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.85 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 0.00 0.00 0.00 7 V 7.98 4.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 8 E 8.68 4.52 0.00 2.11 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 2.23 2.31 0.00 9 C 9.26 4.99 0.00 3.19 3.09 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 10 G 8.48 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 0.00 0.00 0.00 0.00 11 P 0.00 4.54 0.00 2.04 2.04 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 12 G 9.29 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 13 K 8.02 5.17 0.00 1.74 1.63 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 14 A 9.24 5.13 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.77 5.53 0.00 3.06 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 16 R 8.73 4.80 0.00 1.86 1.73 0.00 3.08 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 17 M 8.62 4.61 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 18 L 9.27 4.27 0.00 1.74 1.62 0.92 0.70 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 19 G 9.18 4.03 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 0.00 0.00 0.00 20 G 9.06 4.06 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 0.00 0.00 0.00 21 R 7.95 4.78 0.00 1.87 2.01 0.00 2.77 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 22 P 0.00 4.99 0.00 2.07 2.09 0.00 3.46 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 23 R 8.99 4.77 0.00 1.71 1.84 0.00 3.22 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 24 C 8.68 5.53 0.00 2.93 2.91 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 25 E 9.16 4.85 0.00 1.84 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 2.21 2.40 0.00 26 C 9.30 5.44 0.00 2.84 3.07 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 27 A 8.16 4.91 1.22 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 0.00 0.00 0.00 28 P 0.00 4.35 0.00 1.94 2.17 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 D 8.60 4.53 0.00 2.67 2.91 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 30 C 8.28 4.61 0.00 2.98 3.09 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 31 S 7.94 4.40 0.00 3.82 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 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 33 L 7.44 4.53 0.00 1.69 1.59 0.92 0.73 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 34 P 0.00 4.43 0.00 2.24 2.23 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 35 A 8.66 4.31 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 36 R 7.69 4.39 0.00 1.82 1.96 0.00 3.16 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 37 L 7.72 4.32 0.00 1.78 1.58 0.94 0.99 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 38 Q 8.86 4.77 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.57 2.22 0.00 39 V 8.36 4.78 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 0.78 0.00 0.00 0.94 0.00 0.00 40 C 8.96 5.12 0.00 2.63 2.20 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 0.00 41 G 8.62 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 0.00 0.00 0.00 0.00 42 S 8.39 4.43 0.00 3.77 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 43 D 8.22 4.35 0.00 2.78 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 44 G 7.25 3.66 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 0.00 0.00 0.00 45 A 8.54 4.43 0.96 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 46 T 8.01 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 1.26 0.00 0.00 47 Y 8.94 4.29 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 3.95 0.00 1.88 2.01 0.00 3.32 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 49 D 7.73 5.10 0.00 2.89 2.84 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 50 E 8.62 3.86 0.00 2.09 2.01 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 2.37 2.43 0.00 51 C 8.24 4.26 0.00 3.02 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 52 E 8.55 3.86 0.00 2.30 2.27 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 2.57 2.60 0.00 53 L 7.67 3.17 0.00 1.50 1.66 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.55 3.85 0.00 1.98 2.12 0.00 3.18 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 55 A 7.93 4.05 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 56 A 7.86 3.97 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 57 R 7.90 4.59 0.00 1.89 2.06 0.00 3.11 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 58 C 8.16 4.42 0.00 3.03 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.40 4.31 0.00 1.90 1.89 0.00 3.37 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 60 G 8.57 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.82 4.99 0.00 3.29 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.33 0.00 2.04 2.11 0.00 3.70 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 2.03 2.10 0.00 63 D 7.97 4.40 0.00 2.66 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 64 L 7.68 4.02 0.00 1.80 1.54 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.91 4.80 0.00 3.73 3.66 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 66 V 8.34 3.86 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 0.72 0.00 0.00 0.94 0.00 0.00 67 M 8.60 4.55 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 68 Y 7.04 4.66 0.00 3.08 2.98 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 69 R 8.63 4.60 0.00 1.89 1.96 0.00 3.50 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 70 G 8.58 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.46 4.05 0.00 1.86 1.91 0.00 3.52 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 72 C 8.77 4.56 0.00 2.80 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 73 R 8.57 4.50 0.00 2.04 1.87 0.00 3.24 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 74 K 8.58 4.17 0.00 1.74 1.69 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.43 7.81