NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3973 0.0000 0.0000 63.0278 32.1326 175.1794 3 A 4.1487 7.9577 125.1467 50.5339 22.5868 173.3067 4 P 4.3652 0.0000 0.0000 66.3106 32.3602 177.0335 5 T 4.1154 7.8452 113.5003 65.7148 69.1619 174.2347 6 P 4.5866 0.0000 0.0000 60.2014 30.0549 174.4981 7 S 4.3621 7.8374 113.1232 59.0346 65.7585 175.8387 8 S 3.9603 9.3587 123.7120 58.2099 62.3454 171.2510 9 S 4.5404 7.8130 110.4325 56.6565 63.4717 172.0208 10 P 4.3759 0.0000 0.0000 64.0054 31.9020 175.5219 11 V 4.3104 7.7199 110.2937 59.9283 35.1436 171.6037 12 P 4.3865 0.0000 0.0000 63.7004 31.6581 176.5789 13 T 4.2384 8.3506 115.8802 64.2291 69.5923 174.9896 14 L 4.5129 7.5283 121.4557 53.7112 44.3226 174.4716 15 S 4.4674 7.5213 114.8687 55.8838 66.6134 172.7399 16 P 4.1115 0.0000 0.0000 66.1132 30.5861 177.8296 17 E 3.6930 8.0413 117.7266 59.6159 29.1013 178.2879 18 Q 2.5200 7.4335 119.3027 58.9163 28.8017 178.3939 19 Q 4.0380 7.7044 118.2860 58.3634 28.6961 178.1330 20 E 3.9969 7.9158 120.1299 59.0621 29.8357 177.0536 21 M 4.7619 7.9605 117.4693 57.0106 33.2345 179.1313 22 L 3.8769 8.9754 118.8633 57.5633 41.5569 179.3035 23 Q 3.9957 7.9241 119.5924 59.3484 28.9472 177.9980 24 A 4.2215 8.1197 119.5688 53.9586 18.9485 178.2622 25 F 3.9600 8.5738 119.6077 59.6952 39.1382 177.7612 26 S 4.3939 8.4967 113.4479 61.1371 62.7749 176.0846 27 T 4.2377 7.3014 108.8249 61.4102 68.3479 175.0962 28 Q 3.7825 7.1508 122.9420 59.3519 29.1986 177.0047 29 S 4.6650 8.3490 110.2083 58.1542 63.6422 174.8945 30 G 4.2992 8.7427 106.0707 44.8458 0.0000 173.9191 31 M 4.1259 7.6002 118.6154 55.3846 32.8931 175.6753 32 N 4.8152 8.2007 120.1069 53.0728 41.1667 175.5327 33 L 4.7129 8.5316 122.3178 54.8488 42.3182 177.5445 34 E 4.5111 7.9625 114.0163 55.6329 33.0136 177.0344 35 W 4.1094 8.1616 118.8329 58.5805 28.9372 178.5730 36 S 3.7320 7.9484 114.1812 60.8370 62.4507 176.1741 37 Q 3.5089 7.2742 123.0799 58.9939 28.8672 178.2153 38 K 3.7277 7.2080 119.4025 59.8270 31.8914 179.0522 39 C 4.0473 7.2820 115.4538 62.3157 27.9647 175.0865 40 L 3.8180 6.4960 118.6015 54.4724 40.7354 178.0208 41 Q 4.1703 7.0085 119.0554 56.4156 30.8260 176.7749 42 D 4.4768 7.8100 116.4374 56.1728 40.9796 176.8261 43 N 4.6037 7.6230 114.5540 53.0639 39.1815 175.1780 44 N 4.2080 7.9305 114.1211 54.0897 35.5250 173.9554 45 W 3.4651 7.3107 112.5708 58.0347 26.9305 175.0318 46 D 4.5043 8.0867 118.1575 55.4775 41.5080 175.9164 47 Y 4.0493 8.4020 118.8642 57.4493 39.9214 169.1855 48 T 4.4699 7.8906 113.8899 65.2818 70.4845 176.5069 49 R 4.0537 7.9609 120.5815 59.3864 30.0692 177.7494 50 S 4.5009 8.4551 115.7029 60.4382 63.3502 175.8705 51 A 4.4095 8.1339 125.0519 53.7817 18.2790 179.1649 52 Q 3.8964 8.1335 118.3005 59.0019 28.9699 177.6620 53 A 4.2475 7.6736 120.4597 54.1587 18.8430 179.1686 54 F 4.4160 8.3238 120.1437 61.5982 39.6316 177.3346 55 T 2.9684 7.3757 109.4349 65.0088 68.1022 175.8148 56 H 4.0821 7.7732 119.7721 58.3016 29.8217 176.5218 57 L 4.2053 7.8179 121.6017 56.8184 41.7958 178.4898 58 K 4.1639 7.4940 117.2511 58.6103 31.8888 177.2356 59 A 4.7500 7.5587 118.8500 51.5434 19.9003 175.7631 60 K 4.4929 7.6378 113.8471 59.4296 36.0389 177.6645 61 G 4.1425 7.7636 109.0947 45.2202 0.0000 176.9934 62 E 4.5010 8.8833 121.8900 55.0893 30.3283 171.5352 63 I 4.1060 7.7466 122.5878 58.0605 37.6804 173.9635 64 P 4.1870 0.0000 0.0000 62.4972 31.9516 177.6095 65 E 4.1193 8.8809 122.3231 59.2648 29.2905 179.3156 66 V 3.6611 7.8764 117.9495 65.8093 31.0646 177.1248 67 A 3.8930 7.1378 121.0201 53.7864 17.8501 178.9968 68 F 5.1847 6.8535 117.9184 56.4659 39.5454 175.7081 69 M 4.5589 7.3302 121.6133 55.3337 35.9582 175.1727 70 K 4.2240 8.7602 124.9955 56.9987 33.0800 176.2848 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 2 P 0.00 4.40 0.00 2.06 2.09 0.00 3.68 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 1.92 2.09 0.00 3 A 7.96 4.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.05 2.15 0.00 3.67 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 2.03 2.13 0.00 5 T 7.85 4.12 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 6 P 0.00 4.59 0.00 2.21 2.21 0.00 3.73 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 2.16 1.94 0.00 7 S 7.84 4.36 0.00 3.90 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 8 S 9.36 3.96 0.00 4.19 4.02 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 0.00 0.00 0.00 0.00 9 S 7.81 4.54 0.00 3.99 3.86 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 0.00 0.00 0.00 0.00 10 P 0.00 4.38 0.00 2.05 2.06 0.00 3.71 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 2.03 2.12 0.00 11 V 7.72 4.31 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 0.92 0.00 0.00 12 P 0.00 4.39 0.00 2.01 1.98 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 13 T 8.35 4.24 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 1.24 0.00 0.00 14 L 7.53 4.51 0.00 1.57 1.51 0.33 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.52 4.47 0.00 3.73 3.63 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 16 P 0.00 4.11 0.00 2.06 2.05 0.00 3.54 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 2.05 2.10 0.00 17 E 8.04 3.69 0.00 1.82 1.69 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 1.47 1.47 0.00 18 Q 7.43 2.52 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 19 Q 7.70 4.04 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 20 E 7.92 4.00 0.00 2.05 2.11 0.00 0.00 0.00 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 2.34 0.00 21 M 7.96 4.76 0.00 2.68 2.80 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.95 0.00 22 L 8.98 3.88 0.00 2.11 1.79 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.92 4.00 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 24 A 8.12 4.22 1.59 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 0.00 0.00 0.00 25 F 8.57 3.96 0.00 3.12 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 26 S 8.50 4.39 0.00 4.24 4.47 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 0.00 0.00 0.00 0.00 27 T 7.30 4.24 4.30 0.00 0.00 0.00 0.00 0.00 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 28 Q 7.15 3.78 0.00 1.56 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.40 0.00 0.00 0.00 0.00 0.00 1.34 1.97 0.00 29 S 8.35 4.66 0.00 3.92 3.61 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 30 G 8.74 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.60 4.13 0.00 1.81 1.08 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.11 0.00 32 N 8.20 4.82 0.00 3.03 3.07 0.00 0.00 6.82 6.84 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 33 L 8.53 4.71 0.00 1.67 1.63 0.97 0.90 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 34 E 7.96 4.51 0.00 1.73 1.91 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 2.10 2.07 0.00 35 W 8.16 4.11 0.00 3.19 3.24 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 36 S 7.95 3.73 0.00 3.71 4.14 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 37 Q 7.27 3.51 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 38 K 7.21 3.73 0.00 1.84 1.77 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.56 7.81 39 C 7.28 4.05 0.00 2.34 2.95 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 40 L 6.50 3.82 0.00 0.27 0.13 0.34 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.01 4.17 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.12 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 42 D 7.81 4.48 0.00 2.58 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 43 N 7.62 4.60 0.00 2.80 2.85 0.00 0.00 7.13 6.80 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 44 N 7.93 4.21 0.00 2.97 3.16 0.00 0.00 7.03 7.70 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 45 W 7.31 3.47 0.00 3.72 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.09 4.50 0.00 2.72 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.40 4.05 0.00 3.36 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 48 T 7.89 4.47 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 49 R 7.96 4.05 0.00 1.89 1.96 0.00 3.40 0.00 0.00 3.52 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 50 S 8.46 4.50 0.00 4.25 4.16 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 0.00 0.00 0.00 0.00 51 A 8.13 4.41 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.90 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 53 A 7.67 4.25 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 4.42 0.00 3.26 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.38 2.97 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 0.93 0.00 0.00 56 H 7.77 4.08 0.00 3.32 3.33 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.82 4.21 0.00 1.89 1.89 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.49 4.16 0.00 1.75 1.92 0.00 1.81 0.00 0.00 0.69 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.55 1.15 7.81 59 A 7.56 4.75 1.12 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 60 K 7.64 4.49 0.00 1.80 1.74 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.17 1.11 7.81 61 G 7.76 4.14 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 0.00 0.00 0.00 62 E 8.88 4.50 0.00 1.91 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 2.22 2.33 0.00 63 I 7.75 4.11 2.02 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.96 0.43 0.00 0.00 64 P 0.00 4.19 0.00 1.45 1.90 0.00 2.92 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 2.18 2.08 0.00 65 E 8.88 4.12 0.00 2.07 1.96 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 2.42 2.51 0.00 66 V 7.88 3.66 2.22 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 0.84 0.00 0.00 1.32 0.00 0.00 67 A 7.14 3.89 -0.27 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 0.00 0.00 0.00 0.00 0.00 68 F 6.85 5.18 0.00 3.02 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 69 M 7.33 4.56 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 70 K 8.76 4.22 0.00 1.93 1.81 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81