NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9037 8.0093 121.4406 61.0122 38.2876 174.5658 4 K 4.3766 7.9014 124.4622 54.2011 34.9927 170.2893 5 V 4.2623 7.7630 118.8094 61.8824 35.3063 175.3336 6 R 4.2302 8.1275 122.7071 56.1160 31.5125 173.3855 7 E 4.7569 8.6106 125.2172 54.3309 32.0087 175.8573 8 N 4.3041 8.5854 120.9762 53.2157 39.9196 171.6179 9 E 3.4318 8.5749 125.1994 55.0341 27.4353 173.4955 10 P 4.0624 0.0000 0.0000 62.4765 29.1629 174.1331 11 F 4.8044 6.9782 119.4862 55.3989 39.2673 175.8433 12 D 4.7791 8.7436 129.4302 54.1979 39.2102 176.3643 13 V 4.4237 7.4847 117.1917 59.7859 34.6441 176.3163 14 A 3.9915 8.9348 128.0006 53.4149 19.1016 176.9530 15 L 3.6017 7.8202 114.7517 56.3358 40.1810 174.6302 16 R 4.1356 7.9457 119.8062 59.2807 31.5814 178.9057 17 R 3.7809 7.8574 117.3361 59.2994 30.4699 177.6323 18 F 3.9777 8.5779 118.4012 61.4297 39.0067 176.1890 19 K 4.1049 8.7809 119.9308 59.8751 32.4050 177.6160 20 R 4.6479 7.3774 118.0669 53.8023 28.3394 176.9498 21 S 4.6145 7.6263 108.1843 58.9195 66.6596 175.4495 22 C 4.9607 7.8432 113.8159 59.1711 36.4771 173.6498 23 E 4.6824 7.1982 119.6781 53.2894 30.4194 177.4386 24 K 3.4526 8.6664 130.0139 58.1521 32.0732 177.7741 25 A 4.2657 8.6381 121.2797 52.4354 17.5701 177.2804 26 G 4.3184 8.8494 110.7482 46.9270 0.0000 175.9100 27 V 3.7120 7.5558 115.8026 63.1661 32.0554 176.4943 28 L 4.4255 7.2611 117.0490 57.1781 42.4878 178.3457 29 A 4.0743 7.9893 118.9938 54.7688 18.2983 178.4243 30 E 4.1313 7.5050 115.9092 57.9369 29.9933 177.5483 31 V 4.1021 7.6869 115.8552 62.7039 32.0535 177.1059 32 R 3.9707 7.8009 117.4285 60.7897 30.5300 175.3787 33 R 4.4835 7.6065 116.9934 54.0958 32.4052 174.6020 34 R 4.0697 8.2975 114.2361 56.3631 30.6176 177.9901 35 E 4.3668 7.9009 123.7840 55.6106 27.9905 176.8704 36 F 4.6077 7.6160 127.5704 59.3041 46.4577 172.4050 37 Y 3.8824 7.1827 118.1682 57.7930 36.8524 170.5573 38 E 4.4024 8.1444 118.2764 58.5157 31.2308 178.1597 39 K 3.9552 8.3072 118.2658 59.1277 31.9246 177.1351 40 P 3.6690 0.0000 0.0000 65.8762 31.3897 178.4614 41 T 3.8460 7.1015 106.6654 62.7170 68.3347 173.3437 42 T 4.3661 7.2504 110.1450 61.5706 71.8530 175.4686 43 E 3.8038 8.2991 125.5640 58.6002 30.7126 179.4147 44 R 4.0187 7.8028 116.9461 59.0448 30.4129 178.0663 45 K 4.2800 7.8168 113.2038 57.1013 32.1250 178.0587 46 R 4.3676 7.9521 119.3264 57.0939 30.7725 178.0901 47 A 4.1396 7.7442 120.4469 54.1389 18.1642 179.6201 48 K 3.9465 7.9765 117.4710 59.9611 32.6262 179.0482 49 A 3.5746 7.7097 121.1208 54.6930 18.6809 178.9118 50 S 4.3047 7.8790 110.3831 60.3236 62.4996 176.0546 51 A 4.0869 8.0135 123.9188 54.9381 18.2649 179.4811 52 V 3.6800 8.3376 117.7877 64.8913 31.2513 176.2319 53 K 3.9819 7.5176 123.2074 56.9853 32.9184 174.1204 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 3 I 8.01 3.90 1.84 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.54 0.00 0.00 4 K 7.90 4.38 0.00 1.80 1.66 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.26 7.81 5 V 7.76 4.26 2.03 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 0.76 0.00 0.00 0.81 0.00 0.00 6 R 8.13 4.23 0.00 1.73 1.75 0.00 3.22 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 7 E 8.61 4.76 0.00 2.18 2.27 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 2.32 2.44 0.00 8 N 8.59 4.30 0.00 2.69 2.74 0.00 0.00 7.08 7.65 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 9 E 8.57 3.43 0.00 2.06 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 2.33 0.00 10 P 0.00 4.06 0.00 2.09 1.99 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 11 F 6.98 4.80 0.00 3.02 3.14 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 12 D 8.74 4.78 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.48 4.42 2.09 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 0.77 0.00 0.00 0.91 0.00 0.00 14 A 8.93 3.99 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 15 L 7.82 3.60 0.00 1.81 1.75 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.95 4.14 0.00 1.96 1.93 0.00 3.34 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 17 R 7.86 3.78 0.00 1.93 1.94 0.00 3.37 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 18 F 8.58 3.98 0.00 3.05 3.02 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 19 K 8.78 4.10 0.00 2.14 1.90 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.52 7.81 20 R 7.38 4.65 0.00 1.88 1.91 0.00 3.42 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 21 S 7.63 4.61 0.00 3.82 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 22 C 7.84 4.96 0.00 3.09 2.99 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 23 E 7.20 4.68 0.00 2.02 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 2.29 2.42 0.00 24 K 8.67 3.45 0.00 2.06 0.91 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.38 7.81 25 A 8.64 4.27 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 26 G 8.85 4.32 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 0.00 27 V 7.56 3.71 2.09 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 0.94 0.00 0.00 1.04 0.00 0.00 28 L 7.26 4.43 0.00 1.76 1.66 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.99 4.07 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 30 E 7.51 4.13 0.00 2.19 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 2.35 2.44 0.00 31 V 7.69 4.10 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 0.86 0.00 0.00 0.97 0.00 0.00 32 R 7.80 3.97 0.00 1.89 1.90 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 33 R 7.61 4.48 0.00 1.71 1.70 0.00 3.27 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 34 R 8.30 4.07 0.00 1.87 1.93 0.00 2.79 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 35 E 7.90 4.37 0.00 1.37 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 2.24 2.31 0.00 36 F 7.62 4.61 0.00 2.82 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 37 Y 7.18 3.88 0.00 3.25 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 38 E 8.14 4.40 0.00 2.13 2.03 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 2.35 2.49 0.00 39 K 8.31 3.96 0.00 2.04 2.00 0.00 2.14 0.00 0.00 2.06 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.93 7.81 40 P 0.00 3.67 0.00 2.09 1.86 0.00 3.67 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 2.07 2.02 0.00 41 T 7.10 3.85 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 42 T 7.25 4.37 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 43 E 8.30 3.80 0.00 1.90 1.87 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 2.27 2.31 0.00 44 R 7.80 4.02 0.00 2.05 1.86 0.00 2.89 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 45 K 7.82 4.28 0.00 1.94 1.81 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 46 R 7.95 4.37 0.00 2.01 1.93 0.00 3.15 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 47 A 7.74 4.14 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 48 K 7.98 3.95 0.00 2.02 2.06 0.00 1.39 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.55 7.81 49 A 7.71 3.57 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 50 S 7.88 4.30 0.00 3.89 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 0.00 51 A 8.01 4.09 1.36 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 0.00 0.00 52 V 8.34 3.68 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 0.79 0.00 0.00 0.92 0.00 0.00 53 K 7.52 3.98 0.00 1.78 1.63 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.27 7.81