NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1609 8.2348 116.1919 59.0427 63.3060 173.0526 2 D 4.4231 8.7945 124.9566 54.2799 41.4766 173.3047 3 V 4.1314 8.3239 115.9073 61.6714 33.5669 175.4599 4 N 4.5385 7.8346 119.3179 53.1921 39.4625 174.5988 5 E 4.8650 8.2616 121.2711 55.1280 32.0101 177.4866 6 C 4.6164 8.6233 115.9997 58.0100 39.6018 174.4070 7 L 4.3208 7.6717 118.6641 55.6112 40.5768 176.6624 8 T 3.9842 7.5881 113.8759 62.4055 68.1663 172.9153 9 I 4.3097 7.9692 126.5184 59.4369 38.4651 175.9805 10 P 4.7081 0.0000 0.0000 62.7910 30.3629 177.2263 11 E 3.9771 8.5538 116.2323 57.7720 29.5973 176.8787 12 A 4.9763 7.2278 121.5822 50.4949 21.7125 175.4944 13 C 4.7875 8.4908 117.0061 55.1295 41.8659 173.3390 14 K 4.3303 8.5772 126.0386 57.4260 31.7590 176.8635 15 G 4.0458 9.4295 115.4843 44.8851 0.0000 171.9236 16 E 4.8733 7.2634 117.0308 54.7061 33.3981 175.3593 17 M 4.8353 9.0797 121.5203 53.7374 34.4117 175.6882 18 K 4.6607 8.6057 123.9059 55.8396 33.6942 175.8645 19 C 5.4613 9.2500 127.4171 55.3325 41.3306 173.2689 20 I 6.0837 9.0147 117.4745 58.1322 40.7552 175.0139 21 N 5.2902 8.4335 121.1488 51.1336 39.8388 174.9285 22 H 4.4500 8.7697 114.2741 57.6539 29.0519 176.2511 23 Y 4.0493 8.1518 116.5154 58.6781 38.1808 176.0781 24 G 4.1197 8.1299 105.2222 44.7064 0.0000 174.2965 25 G 3.9198 9.2657 109.4320 46.7038 0.0000 172.0393 26 Y 5.3793 8.7444 125.5879 55.8437 40.9203 174.6564 27 L 4.4620 8.3454 124.8726 53.0943 46.7451 174.4279 28 C 5.4069 8.3356 118.2045 55.1537 38.6594 173.3980 29 L 5.0061 8.5994 123.2416 51.6116 45.3383 174.1749 30 P 4.4147 0.0000 0.0000 63.4920 31.8010 176.6266 31 R 4.0883 8.2377 120.8806 57.3691 29.6082 176.9508 32 S 4.0472 7.9929 113.3512 61.3630 62.4253 174.2426 33 A 4.2888 7.8241 123.0618 50.8415 18.5775 176.2440 34 A 4.4049 8.3251 126.1688 51.8507 19.7298 178.6872 35 V 4.0042 8.1701 116.6541 60.4908 29.8141 175.4074 36 I 4.6804 7.2775 117.0188 58.4851 40.4524 175.4201 37 N 4.4425 8.6008 118.3782 53.5539 39.2741 174.7527 38 D 4.4634 8.4726 120.9257 53.8643 40.2762 177.0828 39 L 4.6802 8.1710 122.9060 54.3971 41.4809 177.7164 40 H 4.4340 8.3184 113.7914 56.5158 29.3400 176.6450 41 G 3.6356 6.0698 104.9831 45.8072 0.0000 170.6209 42 E 4.5112 8.1159 119.5518 55.3391 33.3621 177.7501 43 G 3.8706 8.3848 112.0819 46.2708 0.0000 175.0350 44 P 4.6089 0.0000 0.0000 60.7510 32.2755 173.8920 45 P 4.5494 0.0000 0.0000 61.1306 32.1386 174.5163 46 P 4.4695 0.0000 0.0000 61.6494 32.1405 174.6162 47 P 4.1909 0.0000 0.0000 65.1381 31.1617 176.2669 48 V 4.1433 7.4175 119.4927 59.6020 31.9581 172.7406 49 P 4.4563 0.0000 0.0000 61.8208 31.6687 175.6134 50 P 4.3250 0.0000 0.0000 63.9378 31.5019 176.3108 51 A 4.3981 7.3658 122.0377 51.3938 20.3380 176.0913 52 Q 4.1364 8.7339 122.1749 58.8956 28.9844 176.8583 53 H 4.8862 7.9667 115.0755 52.8145 31.6076 172.4842 54 P 4.1817 0.0000 0.0000 64.1731 30.3028 175.7807 55 N 4.1990 7.9242 114.9188 53.7022 35.8973 173.4126 56 P 4.3283 0.0000 0.0000 64.9701 32.3453 178.0819 57 C 4.5696 7.3603 117.1236 54.9576 41.6798 171.6307 58 P 4.2605 0.0000 0.0000 62.2278 31.4146 173.6758 59 P 4.2655 0.0000 0.0000 64.5426 31.6924 174.5317 60 G 4.0448 9.2755 110.2079 45.5245 0.0000 172.0884 61 Y 4.6732 7.9915 118.3817 56.2110 38.5938 175.4153 62 E 4.5591 9.0019 124.0432 54.2652 31.9419 174.1472 63 P 4.8464 0.0000 0.0000 62.9345 31.9274 175.1481 64 D 4.7965 9.0121 125.1062 52.8168 42.8616 175.8600 65 D 4.4699 8.6716 125.4648 53.8136 40.7280 176.5529 66 Q 4.2369 8.5423 124.3579 54.7036 28.1006 173.9923 67 D 4.9343 8.4544 123.7448 52.5942 42.2298 175.0849 68 S 4.8005 8.4833 120.9768 56.6155 64.9056 172.5101 69 C 4.6795 8.4470 119.4596 55.1295 42.3892 173.4228 70 V 4.2772 7.1875 117.7657 61.5797 33.8755 172.3201 71 D 4.5019 8.7143 119.6779 54.6713 40.8479 176.6788 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 8.23 5.16 0.00 4.04 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 2 D 8.79 4.42 0.00 2.74 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 3 V 8.32 4.13 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 0.83 0.00 0.00 0.93 0.00 0.00 4 N 7.83 4.54 0.00 2.85 2.77 0.00 0.00 7.04 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 5 E 8.26 4.86 0.00 2.01 1.89 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 2.32 2.30 0.00 6 C 8.62 4.62 0.00 2.96 3.10 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 0.00 0.00 0.00 0.00 7 L 7.67 4.32 0.00 1.73 1.76 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.59 3.98 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 9 I 7.97 4.31 1.83 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 1.45 0.64 0.89 0.00 0.00 10 P 0.00 4.71 0.00 2.21 2.25 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 11 E 8.55 3.98 0.00 1.77 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 12 A 7.23 4.98 1.28 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 0.00 0.00 0.00 13 C 8.49 4.79 0.00 3.17 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 14 K 8.58 4.33 0.00 1.73 1.74 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 G 9.43 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 16 E 7.26 4.87 0.00 1.94 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 2.22 2.25 0.00 17 M 9.08 4.84 0.00 1.93 1.96 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 2.58 2.33 0.00 18 K 8.61 4.66 0.00 1.95 1.78 0.00 1.82 0.00 0.00 2.05 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.84 7.81 19 C 9.25 5.46 0.00 2.77 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 20 I 9.01 6.08 1.98 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 1.06 0.86 1.16 0.00 0.00 21 N 8.43 5.29 0.00 2.57 1.84 0.00 0.00 6.13 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.77 4.45 0.00 3.14 3.34 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.15 4.05 0.00 3.02 3.05 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 24 G 8.13 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 0.00 0.00 0.00 25 G 9.27 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.74 5.38 0.00 2.92 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 27 L 8.35 4.46 0.00 1.49 1.18 0.16 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.34 5.41 0.00 2.65 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 29 L 8.60 5.01 0.00 1.51 1.48 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.41 0.00 2.09 2.19 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 31 R 8.24 4.09 0.00 1.97 1.97 0.00 3.29 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 32 S 7.99 4.05 0.00 3.90 3.89 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 33 A 7.82 4.29 1.25 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 0.00 0.00 0.00 34 A 8.33 4.40 1.25 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 0.00 0.00 0.00 35 V 8.17 4.00 2.15 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 0.76 0.00 0.00 0.96 0.00 0.00 36 I 7.28 4.68 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 1.30 0.71 0.91 0.00 0.00 37 N 8.60 4.44 0.00 2.68 2.78 0.00 0.00 6.87 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.47 4.46 0.00 2.84 2.82 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 39 L 8.17 4.68 0.00 1.73 1.67 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.32 4.43 0.00 3.26 3.55 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 6.07 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.51 0.00 2.04 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 2.18 2.31 0.00 43 G 8.38 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 44 P 0.00 4.61 0.00 2.21 2.08 0.00 3.96 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 45 P 0.00 4.55 0.00 2.07 2.03 0.00 3.69 0.00 0.00 3.92 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 46 P 0.00 4.47 0.00 2.11 1.94 0.00 3.78 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 47 P 0.00 4.19 0.00 2.19 2.22 0.00 3.70 0.00 0.00 3.57 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 48 V 7.42 4.14 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 0.96 0.00 0.00 0.92 0.00 0.00 49 P 0.00 4.46 0.00 2.25 2.24 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 50 P 0.00 4.33 0.00 2.20 2.21 0.00 3.91 0.00 0.00 3.74 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 51 A 7.37 4.40 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 52 Q 8.73 4.14 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 53 H 7.97 4.89 0.00 3.20 3.19 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.18 0.00 2.19 2.22 0.00 3.95 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 55 N 7.92 4.20 0.00 3.06 2.90 0.00 0.00 6.65 7.94 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 56 P 0.00 4.33 0.00 2.17 2.19 0.00 3.78 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 2.00 2.00 0.00 57 C 7.36 4.57 0.00 3.41 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 58 P 0.00 4.26 0.00 2.25 2.05 0.00 3.57 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 2.06 2.09 0.00 59 P 0.00 4.27 0.00 2.20 2.14 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 60 G 9.28 4.04 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 0.00 0.00 0.00 61 Y 7.99 4.67 0.00 2.97 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 4.56 0.00 2.01 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 2.30 2.25 0.00 63 P 0.00 4.85 0.00 1.97 2.06 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 64 D 9.01 4.80 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.67 4.47 0.00 2.72 2.65 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 66 Q 8.54 4.24 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.28 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 67 D 8.45 4.93 0.00 2.62 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 68 S 8.48 4.80 0.00 3.83 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 69 C 8.45 4.68 0.00 3.11 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 70 V 7.19 4.28 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 0.71 0.00 0.00 0.93 0.00 0.00 71 D 8.71 4.50 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00