NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1244 8.3031 120.1339 57.3021 33.9931 174.1177 2 G 3.4086 8.5260 105.5511 46.0747 0.0000 174.0826 3 L 4.6114 8.1598 122.2891 53.3704 42.1245 176.9293 4 R 4.5125 7.4173 116.3453 54.3066 32.2306 175.2051 5 R 4.6801 7.6800 124.1638 53.1776 30.2933 172.5674 6 D 4.5957 7.5507 124.3256 54.5100 46.0993 178.2036 7 L 4.0935 8.1547 119.5158 57.2011 42.0047 178.2552 8 D 4.1843 8.2318 115.9454 56.9668 41.8462 175.5795 9 A 3.4599 7.7513 117.7616 52.8920 14.9190 178.9852 10 S 4.4992 7.6257 115.2002 56.7228 62.0461 172.3318 11 R 4.4598 7.9958 122.8782 57.1075 32.3315 177.7842 12 E 3.9102 8.2361 117.0779 59.3274 29.6867 178.7148 13 A 3.8468 7.9519 120.2541 55.1979 18.6330 179.6570 14 K 3.9974 7.9619 116.4954 59.4641 32.3861 179.5609 15 K 4.1122 8.1514 118.3703 58.7232 31.8323 179.3927 16 Q 4.1147 7.5730 118.6033 58.4501 28.4196 177.8378 17 L 3.9580 7.3783 120.5124 58.3844 42.2756 178.8716 18 E 3.9914 8.1110 117.8831 59.3336 29.2032 179.1947 19 A 4.0264 7.6827 119.5144 55.1065 18.5103 179.6622 20 E 3.9055 7.8111 116.4404 59.6591 29.1829 179.5029 21 Q 4.0085 7.7032 117.1514 59.1574 28.4153 178.9973 22 Q 4.0496 8.0007 118.8462 58.7691 28.8518 178.7894 23 K 3.9690 7.8665 120.7115 59.5229 32.2340 178.9443 24 L 4.0954 7.8790 118.5642 57.1035 41.4067 179.2265 25 E 3.8965 7.8239 118.7252 59.1951 29.3252 178.1922 26 E 3.9188 7.8184 118.9704 59.3229 29.4402 178.6047 27 Q 4.0186 7.7508 118.1751 59.2356 29.2205 177.6199 28 N 4.4864 7.7552 116.2314 56.2040 39.0620 177.2205 29 K 3.9916 8.1438 120.6691 56.9655 32.8888 176.2397 30 I 3.3910 7.8226 117.6325 63.0814 34.7455 173.4686 31 S 3.7417 8.6058 111.8654 60.0313 60.2600 170.8605 32 E 3.6355 8.6081 116.8621 57.3368 27.3803 174.7610 33 A 3.7009 7.6202 120.6826 52.9066 16.1440 178.7971 34 S 4.5983 8.0152 119.7410 56.5556 61.6877 175.2761 35 R 4.0278 7.2604 124.2267 59.6233 30.5500 178.8720 36 K 4.0678 7.3270 119.5005 57.0243 32.5667 177.6448 37 G 3.9732 6.4573 114.7403 43.8861 0.0000 172.4138 38 L 4.6754 7.4135 132.3593 52.2725 43.7971 176.2463 39 R 4.5559 7.5539 131.1036 55.6903 29.9455 176.1369 40 R 4.1879 8.6175 113.6852 58.5980 30.5648 176.8969 41 D 4.5175 8.0754 116.9418 57.5538 41.2571 178.1464 42 L 4.0400 8.0654 117.0227 57.7598 42.1883 177.9123 43 D 4.5834 7.7409 117.5042 52.8117 39.0116 174.6562 44 A 4.4610 7.0508 124.5392 52.9439 21.4647 180.3338 45 S 4.8068 7.2961 110.3864 58.4273 63.6865 178.0973 46 R 4.4559 8.2015 124.4289 55.7417 30.0470 174.2452 47 E 3.6917 8.7520 123.1704 57.4874 27.1631 174.4177 48 A 3.5744 8.4789 114.5572 53.6047 16.3962 177.9016 49 K 3.8309 7.9844 113.7304 58.6151 29.2530 175.8683 50 K 4.4274 7.8824 116.1024 57.9510 35.6477 178.1438 51 Q 4.3248 7.6446 118.1412 55.9627 28.7272 177.1377 52 V 4.0755 7.2132 109.2464 61.8577 31.2031 177.1873 53 E 4.1830 7.5224 121.8432 58.9286 30.5852 179.2164 54 K 4.0462 7.8906 118.6666 59.5750 33.3940 176.9026 55 A 4.1794 7.8606 125.7129 52.0819 18.5402 176.7594 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 K 8.30 4.12 0.00 1.76 1.84 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.39 7.81 2 G 8.53 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 4.61 0.00 1.63 1.62 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.42 4.51 0.00 1.72 1.81 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 5 R 7.68 4.68 0.00 1.69 1.79 0.00 3.32 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 6 D 7.55 4.60 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.09 0.00 1.66 1.77 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.23 4.18 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 3.46 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 10 S 7.63 4.50 0.00 4.04 3.82 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 0.00 0.00 0.00 11 R 8.00 4.46 0.00 1.82 1.85 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 12 E 8.24 3.91 0.00 1.99 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 2.38 2.33 0.00 13 A 7.95 3.85 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 14 K 7.96 4.00 0.00 1.94 2.04 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.59 7.81 15 K 8.15 4.11 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.62 7.81 16 Q 7.57 4.11 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 17 L 7.38 3.96 0.00 1.81 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.11 3.99 0.00 2.15 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 0.00 2.33 2.42 0.00 19 A 7.68 4.03 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 0.00 0.00 0.00 0.00 0.00 20 E 7.81 3.91 0.00 2.29 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 2.49 0.00 21 Q 7.70 4.01 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 22 Q 8.00 4.05 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 23 K 7.87 3.97 0.00 1.90 1.84 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 24 L 7.88 4.10 0.00 1.77 1.70 0.92 0.60 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 25 E 7.82 3.90 0.00 2.19 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 0.00 2.30 2.31 0.00 26 E 7.82 3.92 0.00 2.08 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 2.31 2.32 0.00 27 Q 7.75 4.02 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 28 N 7.76 4.49 0.00 2.71 2.86 0.00 0.00 7.03 8.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.14 3.99 0.00 1.97 1.85 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.52 7.81 30 I 7.82 3.39 1.87 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 1.34 0.74 0.91 0.00 0.00 31 S 8.61 3.74 0.00 3.96 3.84 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 32 E 8.61 3.64 0.00 2.15 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 2.21 2.28 0.00 33 A 7.62 3.70 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 34 S 8.02 4.60 0.00 3.93 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 35 R 7.26 4.03 0.00 1.82 1.94 0.00 3.37 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 36 K 7.33 4.07 0.00 1.72 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 37 G 6.46 3.97 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 0.00 0.00 0.00 38 L 7.41 4.68 0.00 1.57 1.57 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.55 4.56 0.00 1.72 1.13 0.00 3.33 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 40 R 8.62 4.19 0.00 1.81 1.89 0.00 3.30 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 41 D 8.08 4.52 0.00 2.70 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 42 L 8.07 4.04 0.00 1.66 1.73 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.74 4.58 0.00 2.60 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 44 A 7.05 4.46 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 45 S 7.30 4.81 0.00 3.82 2.83 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 R 8.20 4.46 0.00 1.78 1.82 0.00 3.59 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 47 E 8.75 3.69 0.00 2.12 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 2.21 2.35 0.00 48 A 8.48 3.57 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 49 K 7.98 3.83 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.44 7.81 50 K 7.88 4.43 0.00 1.80 1.73 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.50 7.81 51 Q 7.64 4.32 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.63 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 52 V 7.21 4.08 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 0.73 0.00 0.00 0.98 0.00 0.00 53 E 7.52 4.18 0.00 1.96 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 2.31 2.24 0.00 54 K 7.89 4.05 0.00 1.86 1.94 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 55 A 7.86 4.18 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