NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.4765 8.6698 119.6248 57.3758 30.8209 174.5042 2 T 3.4122 8.4225 108.5308 61.2465 67.8609 171.2923 3 D 4.8353 7.6919 121.5128 51.5526 40.2184 176.7128 4 I 3.6326 7.9061 127.8170 65.1680 38.5906 178.0493 5 C 4.3667 8.2369 116.3924 59.2050 40.0414 174.0738 6 K 4.2073 8.4172 119.1365 56.1996 32.1654 175.8369 7 L 4.5457 7.8745 119.2254 53.4399 42.6791 174.9419 8 P 4.5006 0.0000 0.0000 61.4692 32.2705 175.7649 9 K 2.8265 7.9785 119.2552 57.1768 32.0080 176.6366 10 D 4.6524 7.5216 126.5237 53.2117 40.0246 175.7025 11 E 5.3794 8.1546 129.0110 60.6910 30.5558 178.8158 12 G 4.0792 8.3056 105.1830 51.0100 0.0000 177.0050 13 T 4.0213 7.4616 111.3736 63.9984 66.0029 170.1055 14 C 5.0093 7.3819 126.4025 56.7816 44.8223 174.2083 15 R 4.5407 8.4161 116.7563 55.7954 31.0085 175.3540 16 D 4.7952 7.1128 116.5825 53.2398 39.6170 175.0621 17 F 4.1976 7.0746 120.4907 57.3410 38.1896 174.4628 18 I 5.0915 8.9050 126.5980 58.6925 41.2329 174.0722 19 L 4.0380 8.1235 126.8447 55.2315 41.5148 175.8870 20 K 4.5872 8.1764 121.0174 54.8146 37.3711 174.4610 21 W 5.4995 9.3128 120.6211 55.4938 31.6562 175.2939 22 Y 5.6388 9.6870 121.5467 55.4329 40.9938 173.5955 23 Y 4.4818 9.8766 123.1296 57.2725 40.5542 173.8796 24 D 4.6486 7.9918 127.9984 51.4400 40.7548 174.7567 25 P 4.3328 0.0000 0.0000 65.5243 31.8209 177.9479 26 N 4.4442 8.2262 115.8398 56.0599 38.8048 175.9912 27 T 4.1077 8.1085 106.7879 63.8163 69.8101 176.9967 28 K 3.6172 8.9722 120.9749 57.0797 30.3796 175.5143 29 S 5.0009 7.4945 115.0847 57.5100 66.3263 171.8401 30 C 5.4619 8.9067 114.6914 55.9166 41.5175 173.0424 31 A 4.9331 8.8577 122.5161 50.2315 22.7575 174.9674 32 R 4.4800 8.1034 118.0332 54.9411 31.4732 176.2675 33 F 4.7377 8.7905 118.4624 55.4738 42.5456 174.1652 34 W 5.1264 9.3240 118.6536 55.7455 27.7922 175.5812 35 Y 5.3802 7.8247 124.9108 56.4740 40.2849 173.8820 36 G 3.2310 7.7478 109.9595 43.6647 0.0000 172.9608 37 G 4.0907 8.8788 114.4932 47.9877 0.0000 171.9506 38 C 4.4837 8.1242 112.5447 56.6748 44.6532 175.1230 39 G 3.8919 7.6716 110.9647 43.9081 0.0000 171.2626 40 G 4.7567 7.6647 105.5121 42.9853 0.0000 168.7059 41 N 5.1535 9.0719 116.9440 51.3943 39.8744 174.0769 42 E 4.3882 8.6010 116.5151 56.6127 30.0818 177.0527 43 N 4.6072 8.5352 120.6801 51.7731 37.2827 175.4850 44 K 4.6371 6.7567 116.4181 55.4700 34.5424 176.4960 45 F 4.9075 9.5286 123.9688 55.7613 41.3180 177.2750 46 G 3.9851 9.5372 110.5571 47.6334 0.0000 174.7301 47 S 3.9730 7.6672 113.9729 55.3461 67.3070 174.3033 48 Q 3.4513 6.2351 124.5229 59.4958 28.1844 179.5404 49 K 3.8195 7.5193 117.2207 59.3515 32.2107 178.4637 50 E 3.8999 8.0498 119.5085 59.3193 29.5988 177.5766 51 C 2.5202 7.8253 117.9723 59.6735 41.7433 175.0796 52 E 3.6634 8.3460 120.6910 59.1487 28.8105 178.4091 53 K 3.7301 7.9142 118.4423 57.8453 32.4053 178.1140 54 V 3.8736 7.1166 117.0192 64.1998 32.0737 176.3365 55 C 4.2318 7.7552 115.6957 56.4268 45.2472 173.9516 56 A 3.8270 6.7408 120.8087 50.8319 17.9807 176.0216 57 P 5.3854 0.0000 0.0000 60.5573 30.3199 176.1544 58 V 3.9802 7.9083 124.9975 63.5463 31.7494 175.1687 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 E 8.67 4.48 0.00 1.98 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 2.22 2.22 0.00 2 T 8.42 3.41 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 1.22 0.00 0.00 3 D 7.69 4.84 0.00 2.81 2.86 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 4 I 7.91 3.63 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.95 0.00 0.00 5 C 8.24 4.37 0.00 3.05 3.28 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 6 K 8.42 4.21 0.00 1.71 2.08 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.43 1.43 7.81 7 L 7.87 4.55 0.00 1.82 1.61 0.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.50 0.00 2.10 2.05 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 9 K 7.98 2.83 0.00 0.79 1.11 0.00 1.12 0.00 0.00 1.54 0.00 0.00 2.66 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.30 0.63 7.81 10 D 7.52 4.65 0.00 2.92 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 11 E 8.15 5.38 0.00 2.23 2.25 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 3.03 2.57 0.00 12 G 8.31 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 0.00 0.00 0.00 13 T 7.46 4.02 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14 C 7.38 5.01 0.00 2.87 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.42 4.54 0.00 1.74 1.87 0.00 3.40 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 16 D 7.11 4.80 0.00 2.66 2.59 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 17 F 7.07 4.20 0.00 2.98 3.18 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 18 I 8.91 5.09 2.12 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 1.83 1.15 0.00 0.00 19 L 8.12 4.04 0.00 0.36 0.56 0.43 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.18 4.59 0.00 0.92 1.73 0.00 1.38 0.00 0.00 0.78 0.00 0.00 2.71 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.20 1.23 7.81 21 W 9.31 5.50 0.00 3.39 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.69 5.64 0.00 3.11 3.08 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 23 Y 9.88 4.48 0.00 3.10 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 24 D 7.99 4.65 0.00 2.30 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 0.00 0.00 0.00 0.00 25 P 0.00 4.33 0.00 2.25 2.29 0.00 3.91 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 26 N 8.23 4.44 0.00 2.90 2.91 0.00 0.00 7.37 7.57 0.00 0.00 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 8.11 4.11 4.15 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 1.22 0.00 0.00 28 K 8.97 3.62 0.00 1.87 2.36 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.34 7.81 29 S 7.49 5.00 0.00 3.82 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 30 C 8.91 5.46 0.00 2.98 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.86 4.93 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 32 R 8.10 4.48 0.00 1.26 1.24 0.00 2.61 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 33 F 8.79 4.74 0.00 3.17 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 34 W 9.32 5.13 0.00 3.45 3.29 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 35 Y 7.82 5.38 0.00 3.61 2.52 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 0.00 36 G 7.75 3.23 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 37 G 8.88 4.09 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 0.00 0.00 0.00 38 C 8.12 4.48 0.00 3.05 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 39 G 7.67 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 0.00 0.00 0.00 40 G 7.66 4.76 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 0.00 0.00 0.00 41 N 9.07 5.15 0.00 2.78 2.84 0.00 0.00 6.88 8.49 0.00 0.00 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 8.60 4.39 0.00 1.97 1.95 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 2.24 2.21 0.00 43 N 8.54 4.61 0.00 2.78 2.83 0.00 0.00 7.52 7.77 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 44 K 6.76 4.64 0.00 1.76 1.95 0.00 1.62 0.00 0.00 1.97 0.00 0.00 3.26 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.02 7.81 45 F 9.53 4.91 0.00 3.35 3.20 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 46 G 9.54 3.99 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 0.00 0.00 0.00 47 S 7.67 3.97 0.00 3.69 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 48 Q 6.24 3.45 0.00 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.88 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 49 K 7.52 3.82 0.00 1.58 1.74 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.32 7.81 50 E 8.05 3.90 0.00 1.99 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 2.38 2.33 0.00 51 C 7.83 2.52 0.00 2.75 2.96 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 52 E 8.35 3.66 0.00 1.95 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 2.22 2.27 0.00 53 K 7.91 3.73 0.00 1.85 1.71 0.00 1.67 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.41 7.81 54 V 7.12 3.87 1.58 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 0.99 0.00 0.00 0.96 0.00 0.00 55 C 7.76 4.23 0.00 2.34 1.80 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 56 A 6.74 3.83 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 57 P 0.00 5.39 0.00 2.19 2.19 0.00 3.30 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 58 V 7.91 3.98 2.10 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 0.78 0.00 0.00 0.93 0.00 0.00