NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3570 0.0000 0.0000 62.3923 32.1242 174.8131 2 K 4.1262 8.3500 117.9458 56.7010 33.6175 175.8511 3 I 3.5032 8.0658 125.4485 58.4992 39.4399 175.8899 4 K 4.5899 8.3991 123.0067 54.9630 34.2821 175.8090 5 T 4.5210 8.0713 118.6835 61.9802 70.1826 176.2543 6 V 3.8632 8.3856 126.5359 62.8369 29.0997 176.0851 7 R 3.9898 8.4134 123.1596 59.0984 30.3067 177.2442 8 G 3.7533 8.1212 104.4960 48.0285 0.0000 175.4380 9 A 4.0895 8.0136 123.2269 54.1889 18.3315 178.7893 10 A 4.2675 8.0375 117.4623 53.5924 18.5413 178.5815 11 K 4.4922 7.6884 115.9099 55.7934 32.7181 176.7297 12 R 4.4676 7.5365 112.7534 55.2264 30.8195 174.5486 13 F 5.2318 7.8352 116.4022 55.9344 42.2956 174.3652 14 K 4.6468 9.3736 124.2371 54.7386 35.4228 175.9507 15 K 5.2143 9.3121 129.2095 55.5213 33.4184 176.0968 16 T 4.4188 8.0543 114.8775 61.1485 69.0690 174.8823 17 G 4.0158 8.3673 104.8468 44.8112 0.0000 172.3032 18 K 4.0571 7.6818 119.3053 55.2390 34.7179 174.9462 19 G 3.6206 8.9052 110.5385 48.2340 0.0000 174.3272 20 G 3.8728 7.2226 107.9372 46.0410 0.0000 173.5635 21 F 5.2409 8.3801 114.9880 55.0344 40.9984 174.9908 22 K 4.2789 8.0158 114.4322 57.9968 29.8775 173.7642 23 H 5.1983 8.7292 125.6309 54.5483 30.3273 173.5163 24 K 4.8231 8.4244 119.1964 55.9037 34.0124 174.7115 25 H 4.6288 8.6142 118.4545 54.7645 31.6060 173.0439 26 A 4.0893 8.5153 127.4771 52.8704 19.1247 175.2742 27 N 4.1993 9.1095 113.9933 54.0714 36.5030 175.8899 28 L 4.5195 6.6680 116.0975 53.0022 43.5660 173.5859 29 R 5.2793 7.2681 126.0118 56.0404 31.7213 174.7351 30 H 4.4920 8.6148 113.4480 56.2264 29.7596 175.3011 31 I 4.1976 8.9325 122.6745 61.5218 38.4601 175.8202 32 L 4.7095 8.2732 120.9823 54.5283 45.3288 177.8738 33 T 3.9058 8.3076 113.5342 65.0437 67.1342 175.1690 34 K 4.1575 7.9127 117.9522 58.8378 33.1468 177.4788 35 K 4.0497 7.4068 119.7572 55.8616 32.3832 176.8817 36 A 4.2445 8.4259 126.2642 52.1090 19.0673 178.5783 37 T 3.8903 8.3565 110.4254 64.4337 69.4758 176.0495 38 K 4.0247 7.9692 123.3204 59.1908 32.5263 178.3796 39 R 3.9840 8.0016 118.5404 58.6697 30.3864 177.1316 40 K 4.3785 7.7413 115.9717 57.5209 33.3031 178.2352 41 R 4.0688 7.7963 116.9655 58.4264 30.0435 177.0552 42 H 4.5909 8.0949 113.4838 56.5853 29.4009 175.7483 43 L 4.4104 7.3333 119.2100 54.6069 42.2939 178.3468 44 R 4.0110 7.7681 118.5200 57.7215 30.7687 175.2059 45 P 4.3379 0.0000 0.0000 62.7194 31.7707 175.1577 46 K 4.6121 8.5000 119.3594 55.4414 34.6518 175.4208 47 A 4.8552 8.4354 127.0694 50.6939 22.4749 174.6920 48 M 5.1221 8.3033 113.7924 53.5267 34.1100 175.9506 49 V 4.0995 8.5666 112.5396 61.3608 33.0817 176.6142 50 S 4.3680 8.4517 115.7629 56.7049 63.9603 177.4178 51 K 3.5043 8.7471 125.6505 56.6454 34.0071 176.5984 52 G 4.0132 8.4781 108.7867 49.1302 0.0000 175.1261 53 D 4.4355 8.5426 121.2358 56.2685 40.7433 178.3055 54 L 3.9898 7.8601 121.2646 58.5783 41.8525 179.4375 55 G 3.8411 8.1411 103.4447 47.7198 0.0000 174.6977 56 L 4.1549 8.0742 121.6904 57.3244 41.7568 178.9559 57 V 3.3240 7.6102 117.3606 66.4825 31.0588 178.2465 58 I 3.7556 7.5095 117.5576 63.7637 36.9979 177.3155 59 A 4.4003 7.9265 119.7035 53.1730 19.2402 178.5647 60 C 4.3630 8.2082 116.5744 61.1004 29.3794 173.2969 61 L 4.8562 7.3037 119.1732 53.1301 39.9756 174.6261 62 P 4.2547 0.0000 0.0000 66.7760 31.8236 177.9878 63 Y 3.9256 8.0246 113.8600 60.6324 38.2636 175.8038 64 A 4.2623 7.5612 127.0200 52.8855 18.4114 177.1748 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 P 0.00 4.36 0.00 2.07 2.11 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 2 K 8.35 4.13 0.00 2.08 1.93 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.51 7.81 3 I 8.07 3.50 2.23 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 1.04 0.00 0.00 4 K 8.40 4.59 0.00 1.72 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.38 7.81 5 T 8.07 4.52 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 1.29 0.00 0.00 6 V 8.39 3.86 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 1.06 0.00 0.00 0.95 0.00 0.00 7 R 8.41 3.99 0.00 1.81 1.97 0.00 3.34 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 8 G 8.12 3.75 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 0.00 0.00 0.00 9 A 8.01 4.09 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.27 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 11 K 7.69 4.49 0.00 1.83 1.78 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.55 7.81 12 R 7.54 4.47 0.00 1.30 1.66 0.00 3.00 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.26 0.00 13 F 7.84 5.23 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 9.37 4.65 0.00 1.83 1.71 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.58 7.81 15 K 9.31 5.21 0.00 2.12 1.82 0.00 1.70 0.00 0.00 2.42 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 0.90 7.81 16 T 8.05 4.42 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 1.22 0.00 0.00 17 G 8.37 4.02 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 0.00 0.00 0.00 18 K 7.68 4.06 0.00 1.74 1.56 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.19 1.29 7.81 19 G 8.91 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.22 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.38 5.24 0.00 3.16 3.09 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 22 K 8.02 4.28 0.00 1.85 1.92 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.44 7.81 23 H 8.73 5.20 0.00 3.29 3.61 0.00 5.77 0.00 0.00 0.00 0.00 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.42 4.82 0.00 1.73 1.78 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.35 7.81 25 H 8.61 4.63 0.00 3.17 3.21 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.52 4.09 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 27 N 9.11 4.20 0.00 2.89 2.94 0.00 0.00 6.70 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 6.67 4.52 0.00 1.62 1.52 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.27 5.28 0.00 1.91 1.98 0.00 3.00 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.00 30 H 8.61 4.49 0.00 3.11 3.04 0.00 5.89 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.93 4.20 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.50 0.92 0.00 0.00 32 L 8.27 4.71 0.00 1.65 1.62 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.31 3.91 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 34 K 7.91 4.16 0.00 1.91 1.93 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.46 7.81 35 K 7.41 4.05 0.00 1.88 1.80 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.49 1.40 7.81 36 A 8.43 4.24 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 37 T 8.36 3.89 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 38 K 7.97 4.02 0.00 1.83 1.84 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.49 7.81 39 R 8.00 3.98 0.00 1.82 2.15 0.00 3.28 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 40 K 7.74 4.38 0.00 1.84 1.82 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.64 7.81 41 R 7.80 4.07 0.00 1.97 2.04 0.00 3.30 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 42 H 8.09 4.59 0.00 3.13 3.32 0.00 5.92 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.33 4.41 0.00 1.62 1.69 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.77 4.01 0.00 1.75 1.96 0.00 3.21 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 45 P 0.00 4.34 0.00 2.15 2.04 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 46 K 8.50 4.61 0.00 1.98 1.80 0.00 1.45 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.30 1.46 7.81 47 A 8.44 4.86 1.31 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 0.00 0.00 48 M 8.30 5.12 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 49 V 8.57 4.10 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 0.75 0.00 0.00 1.04 0.00 0.00 50 S 8.45 4.37 0.00 3.96 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 K 8.75 3.50 0.00 1.92 1.68 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.47 7.81 52 G 8.48 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.54 4.44 0.00 2.70 2.70 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 54 L 7.86 3.99 0.00 1.83 1.87 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.14 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 0.00 0.00 0.00 56 L 8.07 4.15 0.00 1.90 1.63 0.91 0.58 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 57 V 7.61 3.32 1.70 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 -0.02 0.00 0.00 0.20 0.00 0.00 58 I 7.51 3.76 1.91 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 1.80 1.05 0.97 0.00 0.00 59 A 7.93 4.40 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 60 C 8.21 4.36 0.00 3.02 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 61 L 7.30 4.86 0.00 1.80 1.74 0.56 0.63 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 62 P 0.00 4.25 0.00 2.07 2.13 0.00 3.78 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 2.09 2.13 0.00 63 Y 8.02 3.93 0.00 2.98 3.01 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 0.00 0.00 0.00 64 A 7.56 4.26 1.31 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 0.00 0.00