NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2763 8.4293 121.4704 55.3254 30.9368 175.7193 5 P 4.3849 0.0000 0.0000 61.3549 33.2162 176.1609 6 C 4.4779 8.2402 123.8618 58.5850 29.1973 175.4569 7 V 3.8333 7.5578 122.7126 63.2510 31.6235 177.8423 8 E 4.0486 8.1882 119.8735 59.3356 29.2151 179.0014 9 S 4.1588 7.7678 115.6635 60.7992 63.0641 176.6131 10 L 3.6134 7.7781 122.6161 57.3301 41.3704 179.5938 11 V 3.6431 7.5362 117.9851 65.7035 31.0522 178.1425 12 S 4.2277 8.2444 114.4515 61.5715 62.9813 176.4675 13 Q 3.9718 7.9042 121.7395 58.6514 28.3743 178.6650 14 Y 4.2843 7.4493 117.2837 61.3046 37.9224 178.2728 15 F 4.4610 8.2563 117.8589 59.8479 38.9719 177.4303 16 Q 4.1495 8.0623 119.4442 57.9259 28.7515 178.2291 17 T 4.1392 7.7830 118.3037 65.8096 68.4065 177.0346 18 V 3.7493 7.7437 120.2684 66.0921 31.6306 178.3063 19 T 3.9353 7.4127 115.3609 66.6664 68.1472 176.3987 20 D 4.4486 7.8232 120.6846 57.5900 40.8157 178.4941 21 Y 4.8050 7.2944 118.7987 60.6086 37.8424 178.7935 22 G 3.7087 8.2777 106.7883 47.5769 0.0000 176.0572 23 K 4.0912 8.2963 121.0175 59.3904 31.5988 179.1867 24 D 4.5323 8.4625 119.4501 57.3659 40.6953 178.8307 25 L 4.0989 8.0017 119.5260 57.9690 41.5120 179.4720 26 M 4.1927 8.0582 118.7340 58.5081 31.5808 178.6985 27 E 3.9962 8.4857 118.9102 59.2360 29.4264 179.2119 28 K 4.1474 8.0948 116.8519 58.0383 32.3337 178.2925 29 V 4.2093 7.2378 116.3991 63.5550 32.4600 177.4670 30 K 4.6102 8.4276 119.2811 58.1733 32.1912 179.2254 31 S 4.2796 7.7718 115.0885 60.9513 61.9668 174.8315 32 P 4.3158 0.0000 0.0000 64.8946 30.9762 178.0502 33 E 4.2789 7.9035 117.3020 58.2962 30.1066 176.8715 34 L 5.0728 7.5258 117.5066 52.4915 43.5675 174.5267 35 Q 4.4874 7.6408 122.5564 55.6047 36.8311 175.5858 36 A 4.0181 8.8647 118.6768 55.7836 19.5061 178.6035 37 E 3.6590 7.7014 117.2470 57.2949 29.1510 178.4531 38 A 3.5968 7.4918 119.9222 55.6927 18.7912 179.9004 39 K 3.6330 7.2926 115.2570 59.1885 32.1672 179.7969 40 S 4.4170 7.2268 115.7253 60.8363 62.7802 176.1575 41 Y 4.3629 6.6288 120.3308 60.8177 37.1600 177.9425 42 F 4.7079 7.4333 119.8608 59.9324 38.8865 177.4944 43 E 4.0538 8.1974 117.7835 59.5943 29.1814 179.6256 44 K 4.1789 8.0472 117.2230 59.3372 32.0656 179.3143 45 S 4.3182 8.3951 114.8689 61.4120 62.9249 176.6663 46 K 4.2487 7.9628 121.2963 58.5119 31.5487 178.1042 47 E 4.2869 7.7303 117.3010 56.5051 29.6716 176.7675 48 Q 4.4236 7.7059 118.5878 57.1131 30.5546 177.5499 49 L 3.9875 7.9147 118.7219 58.3885 41.9958 179.2297 50 T 4.0489 7.9870 115.7121 66.1793 68.5447 175.3390 51 P 4.3668 0.0000 0.0000 64.9888 31.1566 178.5360 52 L 4.0939 7.6957 118.0137 58.3969 40.4875 179.0857 53 I 3.9733 7.2049 118.2243 64.0102 37.3610 178.0038 54 K 4.1759 8.0510 118.1612 58.0783 31.7450 179.1087 55 K 3.9879 8.0429 120.4909 59.0114 32.0716 177.9990 56 A 4.2353 7.8846 120.5698 54.0420 18.0319 179.2666 57 G 3.5421 7.9117 105.4112 47.8062 0.0000 175.7166 58 T 4.2011 7.5511 117.1221 62.3907 67.6748 175.6124 59 E 3.8622 7.4779 120.4774 58.7151 30.3933 177.1747 60 L 4.3425 7.5997 118.1542 57.0037 42.6493 179.1378 61 V 3.6621 7.3756 118.1540 66.2215 31.1107 177.8520 62 N 4.5010 7.9248 115.7546 56.2257 38.4371 177.1853 63 F 4.3194 7.7997 119.1803 60.4898 38.9393 177.5161 64 L 4.2912 7.8172 117.5417 58.0155 41.4504 179.5938 65 S 4.1602 8.1958 112.4229 61.6239 62.6095 175.5398 66 Y 3.9299 8.1158 119.4512 61.2467 37.3820 178.8481 67 F 4.4647 7.9222 117.3696 60.5450 39.4371 177.6468 68 V 3.8296 8.0657 118.0248 66.0176 31.2308 177.9772 69 E 4.0062 8.3218 118.3522 59.2768 29.1653 178.5619 70 L 4.5556 7.7742 115.3190 55.3007 42.0169 178.0149 71 G 4.1248 7.8570 104.1781 44.6208 0.0000 174.3454 72 T 4.4645 7.5873 116.3496 65.1753 70.2460 176.1421 73 Q 4.0213 7.6944 118.3451 58.6387 28.8207 176.4816 74 P 4.3427 0.0000 0.0000 65.2822 31.7242 177.6082 75 A 4.1409 7.9280 120.2430 55.0790 18.7315 177.2552 76 T 4.1002 7.6240 116.0312 63.9809 68.4391 174.3447 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 E 8.43 4.28 0.00 1.94 1.99 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 2.19 2.31 0.00 5 P 0.00 4.38 0.00 2.29 2.03 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 6 C 8.24 4.48 0.00 3.01 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 7 V 7.56 3.83 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 8 E 8.19 4.05 0.00 2.02 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 2.41 2.38 0.00 9 S 7.77 4.16 0.00 3.99 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 10 L 7.78 3.61 0.00 1.69 1.34 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.54 3.64 2.14 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 1.34 0.00 0.00 1.04 0.00 0.00 12 S 8.24 4.23 0.00 4.09 4.18 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 13 Q 7.90 3.97 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 14 Y 7.45 4.28 0.00 3.00 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 15 F 8.26 4.46 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 4.15 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 17 T 7.78 4.14 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 0.72 0.00 0.00 18 V 7.74 3.75 2.38 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 1.18 0.00 0.00 1.03 0.00 0.00 19 T 7.41 3.94 4.42 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 0.00 0.00 1.22 0.00 0.00 20 D 7.82 4.45 0.00 2.60 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 21 Y 7.29 4.81 0.00 3.25 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 22 G 8.28 3.71 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 0.00 0.00 0.00 23 K 8.30 4.09 0.00 2.03 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.75 7.81 24 D 8.46 4.53 0.00 2.95 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 25 L 8.00 4.10 0.00 1.95 1.74 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.06 4.19 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.60 0.00 27 E 8.49 4.00 0.00 2.18 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 2.34 2.59 0.00 28 K 8.09 4.15 0.00 1.92 1.87 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.69 7.81 29 V 7.24 4.21 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 1.07 0.00 0.00 0.97 0.00 0.00 30 K 8.43 4.61 0.00 1.89 1.87 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.49 7.81 31 S 7.77 4.28 0.00 4.04 4.11 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 0.00 0.00 0.00 32 P 0.00 4.32 0.00 2.27 2.33 0.00 3.69 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 2.23 2.05 0.00 33 E 7.90 4.28 0.00 2.25 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 2.34 2.59 0.00 34 L 7.53 5.07 0.00 1.61 1.58 0.95 0.85 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 35 Q 7.64 4.49 0.00 2.08 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 36 A 8.86 4.02 1.24 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 0.00 0.00 37 E 7.70 3.66 0.00 2.20 1.82 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 2.30 2.26 0.00 38 A 7.49 3.60 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 39 K 7.29 3.63 0.00 2.02 1.88 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.63 1.43 7.81 40 S 7.23 4.42 0.00 3.90 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 41 Y 6.63 4.36 0.00 2.79 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 42 F 7.43 4.71 0.00 3.27 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 43 E 8.20 4.05 0.00 2.22 2.02 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 2.38 2.61 0.00 44 K 8.05 4.18 0.00 1.88 1.92 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.64 7.81 45 S 8.40 4.32 0.00 4.13 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 46 K 7.96 4.25 0.00 2.05 1.92 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.73 7.81 47 E 7.73 4.29 0.00 2.16 1.98 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 2.36 2.61 0.00 48 Q 7.71 4.42 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 49 L 7.91 3.99 0.00 1.91 1.68 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.99 4.05 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 51 P 0.00 4.37 0.00 2.16 2.09 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 52 L 7.70 4.09 0.00 1.81 1.81 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.20 3.97 2.02 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 1.52 1.33 0.91 0.00 0.00 54 K 8.05 4.18 0.00 1.86 1.84 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 55 K 8.04 3.99 0.00 1.99 1.93 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 56 A 7.88 4.24 1.33 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 0.00 0.00 0.00 57 G 7.91 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.55 4.20 4.19 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 1.14 0.00 0.00 59 E 7.48 3.86 0.00 1.88 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 2.18 2.19 0.00 60 L 7.60 4.34 0.00 1.90 1.75 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.38 3.66 2.29 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 1.05 0.00 0.00 0.93 0.00 0.00 62 N 7.92 4.50 0.00 2.49 2.69 0.00 0.00 7.17 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.80 4.32 0.00 3.35 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 64 L 7.82 4.29 0.00 2.16 1.85 1.17 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.20 4.16 0.00 3.99 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 0.00 66 Y 8.12 3.93 0.00 2.83 2.76 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 67 F 7.92 4.46 0.00 3.15 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 68 V 8.07 3.83 2.28 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 1.07 0.00 0.00 1.10 0.00 0.00 69 E 8.32 4.01 0.00 2.17 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 2.29 2.54 0.00 70 L 7.77 4.56 0.00 1.81 1.77 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.86 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 72 T 7.59 4.46 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 1.22 0.00 0.00 73 Q 7.69 4.02 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 74 P 0.00 4.34 0.00 2.05 2.12 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 75 A 7.93 4.14 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 76 T 7.62 4.10 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