NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5747 8.1200 121.1843 56.4765 33.8654 176.8098 3 L 3.8897 7.2970 120.8843 56.0680 42.3914 176.6815 4 S 4.3146 8.0407 115.3017 60.0590 64.5309 174.3231 5 E 4.1816 7.7845 121.2882 58.3488 30.0548 178.5181 6 V 3.9020 8.4489 119.2226 65.8196 31.5736 178.1940 7 R 3.9972 7.9649 115.1478 58.7518 29.2156 178.9153 8 K 3.9125 7.5419 118.4465 59.5613 32.0198 178.7296 9 Q 3.9567 7.7479 118.2100 59.2002 27.9925 179.0411 10 L 3.9559 7.9538 118.9522 58.4155 41.5020 178.7049 11 E 3.8837 7.9025 117.2836 59.6289 29.6156 178.2428 12 E 4.0138 8.8426 120.2338 58.4391 30.0442 178.5323 13 A 4.3017 8.1609 121.1351 54.7946 19.2226 179.4077 14 R 3.9680 9.0624 114.9811 58.2544 31.2660 178.0655 15 K 4.5081 7.5139 119.9124 54.2094 29.8661 174.2264 16 L 4.6347 7.0574 117.7361 52.9017 46.5352 176.1372 17 S 4.7745 8.1796 112.8977 56.1998 65.2740 172.8684 18 P 4.5306 0.0000 0.0000 65.8641 30.1661 179.3110 19 V 3.6647 7.8255 115.9680 65.2693 31.2367 176.9681 20 E 4.4243 7.8780 118.2899 58.2476 29.8048 177.9178 21 L 3.9374 8.8473 120.1535 57.9087 41.8078 178.8435 22 E 3.9260 8.7343 118.8404 59.6581 29.4978 179.6946 23 K 3.8849 7.5037 118.2840 59.4359 32.1094 178.8260 24 L 3.8816 7.6291 120.1490 58.2968 42.0171 178.7658 25 V 3.5454 7.9317 118.3060 66.3846 31.2210 177.5803 26 R 3.8879 8.0923 117.9607 59.7419 29.5643 178.1814 27 E 3.9320 7.7661 116.5658 59.3223 29.8194 178.9923 28 K 4.0230 8.3072 118.7574 59.5930 32.1592 179.0149 29 K 3.8257 8.0435 118.4654 59.9852 32.0695 179.1704 30 R 3.9937 7.8169 118.0806 59.1189 29.8174 178.0281 31 E 3.9954 8.6077 119.7101 58.6636 29.6303 178.3447 32 L 3.9105 7.6686 120.0004 58.3171 42.3790 178.0813 33 M 4.0510 8.6031 118.5650 58.8806 31.9472 177.5823 34 E 3.7455 7.9424 118.7269 59.3731 29.6481 178.6307 35 L 3.9889 8.1039 118.7619 57.9712 41.6697 179.5134 36 R 4.0812 8.6604 118.1811 60.2969 29.8977 178.1160 37 F 3.9224 8.4931 115.3101 60.8425 39.1753 177.0101 38 Q 4.1866 8.5692 116.7443 59.3723 28.8094 179.4796 39 A 4.0435 8.8738 122.6807 55.2411 18.2484 179.1109 40 S 4.5809 8.3418 109.7172 58.8200 63.3009 175.0928 41 I 4.3076 7.5411 115.1423 60.6149 38.0474 176.4002 42 G 4.0449 7.8906 108.6960 45.9597 0.0000 174.2859 43 Q 4.5980 7.1422 118.0954 55.3387 27.8518 176.1487 44 L 3.7683 8.1439 126.2963 55.1298 40.7298 175.0535 45 S 4.3930 8.3722 113.5776 57.9003 65.3120 176.0480 46 Q 4.4154 8.0371 125.2658 55.7242 30.7036 178.5926 47 N 3.5244 9.2458 116.8778 52.9482 40.3466 177.9928 48 H 3.9142 8.6500 125.8465 58.5732 30.9619 175.7820 49 K 3.8582 7.1284 120.0675 59.3180 31.8168 179.2795 50 I 3.6701 8.6220 120.8660 64.3481 37.1323 178.3896 51 R 3.8874 7.9094 118.9447 59.5876 29.9504 177.9626 52 D 4.3737 9.2166 119.4556 57.2585 40.8328 178.6535 53 L 3.9151 7.9221 120.6323 58.0650 42.1067 178.8595 54 K 3.8565 8.0716 118.3830 59.9291 32.0074 179.5382 55 R 3.9237 8.0301 117.9024 59.0716 29.8903 178.9745 56 Q 3.9152 8.2201 119.6156 59.2821 29.1009 177.9594 57 I 3.6692 8.3137 120.8721 64.5874 37.1481 177.8115 58 A 3.9757 8.1586 121.2277 55.5583 18.1965 179.6514 59 R 3.8834 8.3214 116.1139 59.4240 30.1545 179.1888 60 L 3.9478 8.3771 118.7984 58.0072 41.7209 179.6794 61 L 3.9779 8.1193 118.7972 58.1375 41.3254 179.4704 62 T 3.9572 8.0706 115.1379 66.8114 68.6133 176.4193 63 V 3.9368 7.6610 121.1765 65.3599 31.1528 177.5752 64 L 3.9562 7.9668 120.2050 58.6959 41.6486 178.8565 65 N 4.4476 8.7800 116.3217 55.9431 37.8812 177.3738 66 E 3.9776 8.4752 120.8533 59.6737 29.5841 178.8754 67 K 3.9996 8.0758 118.0758 59.6914 32.1919 179.3268 68 R 3.9605 8.0979 117.5756 59.0946 29.9151 178.9476 69 R 3.9864 7.3430 118.2522 59.3379 30.0623 176.0096 70 Q 4.6974 8.0089 112.4617 57.5618 34.8132 176.5767 71 N 4.6183 8.1629 112.1053 53.3746 37.8690 174.8096 72 A 4.2679 8.6273 128.5552 52.4206 19.3567 176.7534 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 K 8.12 4.57 0.00 1.85 1.87 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 3 L 7.30 3.89 0.00 1.76 1.56 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.04 4.31 0.00 4.02 3.98 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 5 E 7.78 4.18 0.00 2.10 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 2.28 2.24 0.00 6 V 8.45 3.90 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 1.00 0.00 0.00 0.98 0.00 0.00 7 R 7.96 4.00 0.00 2.07 2.18 0.00 3.02 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 8 K 7.54 3.91 0.00 2.10 1.90 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.76 7.81 9 Q 7.75 3.96 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 10 L 7.95 3.96 0.00 1.80 1.74 0.92 0.79 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 11 E 7.90 3.88 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 12 E 8.84 4.01 0.00 2.00 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 2.32 2.33 0.00 13 A 8.16 4.30 1.37 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 0.00 0.00 14 R 9.06 3.97 0.00 1.96 2.03 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 15 K 7.51 4.51 0.00 1.90 1.78 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.53 7.81 16 L 7.06 4.63 0.00 1.66 1.54 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.18 4.77 0.00 3.88 3.70 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 0.00 0.00 0.00 0.00 18 P 0.00 4.53 0.00 2.19 2.08 0.00 3.65 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 2.11 2.14 0.00 19 V 7.83 3.66 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 1.03 0.00 0.00 0.93 0.00 0.00 20 E 7.88 4.42 0.00 2.07 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 0.00 2.33 2.38 0.00 21 L 8.85 3.94 0.00 1.84 1.69 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.73 3.93 0.00 2.01 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 2.34 2.54 0.00 23 K 7.50 3.88 0.00 2.21 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.68 7.81 24 L 7.63 3.88 0.00 1.70 1.84 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.93 3.55 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 0.94 0.00 0.00 0.95 0.00 0.00 26 R 8.09 3.89 0.00 2.03 2.12 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 27 E 7.77 3.93 0.00 2.26 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 2.34 2.34 0.00 28 K 8.31 4.02 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.65 1.64 7.81 29 K 8.04 3.83 0.00 1.96 1.90 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.64 7.81 30 R 7.82 3.99 0.00 1.81 2.10 0.00 3.05 0.00 0.00 3.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 31 E 8.61 4.00 0.00 2.15 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 2.29 2.29 0.00 32 L 7.67 3.91 0.00 1.76 1.85 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.60 4.05 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.81 0.00 34 E 7.94 3.75 0.00 2.13 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 0.00 2.27 2.26 0.00 35 L 8.10 3.99 0.00 1.94 1.72 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.66 4.08 0.00 2.19 2.05 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 37 F 8.49 3.92 0.00 3.17 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 38 Q 8.57 4.19 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 39 A 8.87 4.04 1.37 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 0.00 0.00 40 S 8.34 4.58 0.00 3.93 3.98 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 41 I 7.54 4.31 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.78 1.02 0.00 0.00 42 G 7.89 4.04 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 0.00 0.00 0.00 43 Q 7.14 4.60 0.00 2.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 44 L 8.14 3.77 0.00 1.63 1.69 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.37 4.39 0.00 3.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 4.42 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.12 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 47 N 9.25 3.52 0.00 2.88 2.66 0.00 0.00 6.80 8.16 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 48 H 8.65 3.91 0.00 3.40 3.57 0.00 5.49 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.13 3.86 0.00 1.88 1.88 0.00 1.60 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.38 7.81 50 I 8.62 3.67 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.00 0.92 0.00 0.00 51 R 7.91 3.89 0.00 1.89 2.04 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 52 D 9.22 4.37 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.92 3.92 0.00 2.03 1.66 0.94 0.75 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 54 K 8.07 3.86 0.00 2.01 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.65 7.81 55 R 8.03 3.92 0.00 2.16 1.99 0.00 3.18 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 56 Q 8.22 3.92 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 57 I 8.31 3.67 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.91 0.00 0.00 58 A 8.16 3.98 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 59 R 8.32 3.88 0.00 2.00 2.01 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 60 L 8.38 3.95 0.00 1.84 1.72 0.92 0.65 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 61 L 8.12 3.98 0.00 1.80 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.07 3.96 4.38 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 0.00 0.00 0.00 1.21 0.00 0.00 63 V 7.66 3.94 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 1.24 0.00 0.00 1.02 0.00 0.00 64 L 7.97 3.96 0.00 1.92 1.74 0.92 0.57 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 65 N 8.78 4.45 0.00 3.05 2.85 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 66 E 8.48 3.98 0.00 2.11 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 2.33 2.57 0.00 67 K 8.08 4.00 0.00 1.90 1.80 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.79 1.48 7.81 68 R 8.10 3.96 0.00 1.84 1.98 0.00 3.32 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 69 R 7.34 3.99 0.00 2.12 2.22 0.00 3.27 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 70 Q 8.01 4.70 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 71 N 8.16 4.62 0.00 2.88 2.88 0.00 0.00 6.74 7.35 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 72 A 8.63 4.27 1.22 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 0.00 0.00 0.00