NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3910 8.1127 119.6569 56.1596 32.5155 173.4730 5 E 4.7159 8.3506 119.7799 53.2357 32.5109 172.9985 6 C 4.2627 9.7140 127.9167 59.7935 32.5453 173.4530 7 D 4.4049 8.7021 126.4025 55.8855 39.6681 175.9778 8 Y 4.3733 7.1059 118.7715 58.9063 41.1859 176.3096 9 C 3.9685 8.1327 114.4757 59.7221 30.7306 175.7235 10 G 3.8959 8.3562 107.1055 44.9588 0.0000 173.3162 11 T 4.3551 7.7058 109.9442 61.4237 70.6459 172.9906 12 D 4.9555 8.4504 121.9258 53.9399 41.7845 176.6139 13 I 4.0570 8.2425 125.1398 60.2742 37.5526 175.7260 14 E 3.8700 9.0044 128.7655 55.6273 29.7298 174.9210 15 P 4.2478 0.0000 0.0000 64.5137 31.5473 175.9155 16 G 3.8570 9.6511 107.6103 46.5861 0.0000 172.9753 17 T 4.5040 7.6818 113.8980 62.7777 72.6754 174.3143 18 G 4.1437 8.8078 108.4618 45.8911 0.0000 172.5990 19 T 4.8303 8.2410 113.8548 61.6953 72.7695 173.1707 20 M 5.0599 8.6992 123.3471 53.8950 34.7961 174.5611 21 F 4.8314 9.3368 130.2271 56.8755 40.9118 174.8738 22 V 3.9936 7.9536 127.5343 62.2276 31.9274 175.6391 23 H 3.9970 8.9735 126.1903 54.8023 29.5490 176.6670 24 K 3.8387 8.6790 121.9502 59.8017 31.8544 177.5580 25 D 4.4460 7.9344 115.1702 53.8122 39.7186 176.5579 26 G 3.9599 7.9267 107.3401 45.1621 0.0000 174.2138 27 A 4.1809 9.2411 123.0657 52.8034 19.6533 176.5688 28 T 4.9873 8.3754 115.5358 62.0197 71.9061 173.8336 29 T 4.6438 8.6003 121.7324 62.0723 71.9918 172.7118 30 H 4.9456 9.6094 125.5294 55.1419 30.1254 174.8296 31 F 5.3616 9.5817 122.5528 55.9890 41.4703 176.3833 32 C 4.4603 8.9903 115.7219 59.4910 30.6878 173.5228 33 S 4.5733 7.4650 114.5132 56.6583 66.0915 175.9686 34 S 4.3269 8.2607 117.9003 60.5546 62.6549 175.9516 35 K 3.7331 8.0568 122.8762 59.7040 31.7638 178.2419 36 C 4.1082 7.6989 115.6857 62.8527 28.0222 175.5812 37 E 2.6049 7.4568 119.6455 59.3752 28.9730 179.5370 38 N 4.1836 8.4844 116.2928 56.3942 38.4797 177.3057 39 N 4.3927 8.3455 117.8773 56.1238 38.5684 177.3692 40 A 4.2570 7.9776 122.6185 55.4387 18.3104 179.4318 41 D 4.4154 7.7840 116.0367 57.2868 40.9218 178.3975 42 L 4.2778 7.5918 117.1656 55.1000 41.6171 177.8745 43 G 3.9621 8.2329 107.7529 45.7440 0.0000 174.0411 44 R 4.3670 7.6296 117.8969 55.3110 31.2291 175.7035 45 E 4.6113 8.4223 119.8053 54.4736 31.8002 177.0240 46 A 3.3512 8.0244 126.8181 55.3146 18.7220 179.5410 47 R 3.7607 7.8534 113.3809 59.5964 30.0828 177.8671 48 N 4.3827 8.0578 112.5336 54.5076 38.9299 174.8752 49 L 4.4884 7.3700 119.9093 52.7069 42.1765 176.9504 50 E 3.9489 8.9294 124.8515 59.1085 29.5537 178.9538 51 W 4.3682 7.9331 114.2051 58.8241 28.7796 176.6670 52 T 3.7231 6.8472 117.5298 63.0385 68.3735 174.9661 53 D 4.2694 8.8014 126.2723 57.9055 40.6404 177.6919 54 T 3.6515 7.8737 113.9110 66.9752 68.9554 174.7687 55 A 4.0033 7.8440 124.3734 55.4958 18.6584 177.6650 56 R 4.0817 7.8562 117.9595 56.5755 30.0426 176.4777 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 4 R 8.11 4.39 0.00 1.78 1.91 0.00 3.01 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 E 8.35 4.72 0.00 1.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.47 0.00 6 C 9.71 4.26 0.00 3.09 2.90 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 7 D 8.70 4.40 0.00 2.62 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 8 Y 7.11 4.37 0.00 2.97 2.97 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 9 C 8.13 3.97 0.00 3.12 3.34 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 10 G 8.36 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 0.00 0.00 0.00 11 T 7.71 4.36 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 1.33 0.00 0.00 12 D 8.45 4.96 0.00 2.61 2.66 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 13 I 8.24 4.06 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.97 0.00 0.00 14 E 9.00 3.87 0.00 1.93 1.93 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 2.32 2.40 0.00 15 P 0.00 4.25 0.00 2.23 2.07 0.00 3.90 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 2.01 1.99 0.00 16 G 9.65 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 0.00 0.00 0.00 17 T 7.68 4.50 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 G 8.81 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 19 T 8.24 4.83 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 1.29 0.00 0.00 20 M 8.70 5.06 0.00 1.96 1.83 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 2.01 2.39 0.00 21 F 9.34 4.83 0.00 3.32 3.25 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 22 V 7.95 3.99 1.90 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 0.72 0.00 0.00 0.86 0.00 0.00 23 H 8.97 4.00 0.00 3.28 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.68 3.84 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 7.93 4.45 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 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 27 A 9.24 4.18 1.15 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 0.00 0.00 28 T 8.38 4.99 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 1.21 0.00 0.00 29 T 8.60 4.64 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 0.60 0.00 0.00 30 H 9.61 4.95 0.00 3.07 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.58 5.36 0.00 3.00 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 32 C 8.99 4.46 0.00 3.16 3.16 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 33 S 7.47 4.57 0.00 4.02 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 34 S 8.26 4.33 0.00 3.97 4.08 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 0.00 0.00 0.00 0.00 35 K 8.06 3.73 0.00 1.74 1.85 0.00 1.39 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.40 1.33 7.81 36 C 7.70 4.11 0.00 3.34 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 37 E 7.46 2.60 0.00 1.76 1.42 0.00 0.00 0.00 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 1.59 0.00 38 N 8.48 4.18 0.00 2.76 2.77 0.00 0.00 7.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.35 4.39 0.00 3.07 3.15 0.00 0.00 6.95 8.09 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 40 A 7.98 4.26 1.27 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 41 D 7.78 4.42 0.00 2.72 2.66 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 42 L 7.59 4.28 0.00 1.88 1.74 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.23 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 44 R 7.63 4.37 0.00 2.15 2.00 0.00 3.25 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 45 E 8.42 4.61 0.00 1.96 1.79 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 2.34 2.29 0.00 46 A 8.02 3.35 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 3.76 0.00 1.73 1.93 0.00 3.15 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 48 N 8.06 4.38 0.00 2.70 2.86 0.00 0.00 7.02 7.47 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 49 L 7.37 4.49 0.00 1.21 1.07 1.21 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.93 3.95 0.00 2.03 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 0.00 2.32 2.32 0.00 51 W 7.93 4.37 0.00 3.59 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 52 T 6.85 3.72 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 0.97 0.00 0.00 53 D 8.80 4.27 0.00 2.79 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 54 T 7.87 3.65 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 1.06 0.00 0.00 55 A 7.84 4.00 1.30 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 56 R 7.86 4.08 0.00 1.92 1.84 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00