NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4577 0.0000 0.0000 61.7238 32.8684 175.6874 3 L 4.0639 8.3265 119.1805 53.5966 42.1414 176.2441 4 T 4.6222 9.5827 114.2669 59.8469 72.9932 173.8629 5 P 4.1014 0.0000 0.0000 66.1102 31.2690 178.7405 6 N 4.3932 8.0983 114.6271 56.2048 38.3409 176.9779 7 D 4.3317 7.9403 120.4294 57.3465 40.6586 178.9264 8 I 3.6030 7.3199 119.1804 64.6222 37.1902 177.5849 9 H 4.2233 7.9870 117.6979 59.4067 29.7645 176.6769 10 N 4.4728 8.2742 117.1030 53.9124 38.6917 175.6950 11 K 3.6848 7.1288 122.4838 56.6372 32.5490 175.8066 12 T 4.4334 7.7674 114.9762 59.6279 71.6833 172.9842 13 F 4.9860 8.0885 119.0845 55.7085 42.9364 175.2456 14 T 4.1159 8.5220 120.1111 63.5979 68.9723 174.3362 15 K 4.4010 8.3827 123.9027 55.8121 33.2394 176.4860 16 S 4.7812 8.1823 117.1935 56.1275 66.4657 174.0821 17 A 4.1214 8.7815 124.8473 54.8245 18.0428 178.1958 18 R 4.6010 7.6435 113.5243 54.5267 32.9039 174.7687 19 G 3.8445 7.9918 112.4782 45.3730 0.0000 171.1520 20 Y 4.5284 8.1055 117.7581 57.0146 38.9786 175.3688 21 D 4.3636 8.9592 122.6175 55.1012 42.0909 177.2367 22 E 4.0061 8.8933 126.4371 59.7437 29.5799 178.9960 23 D 4.3812 8.1727 118.3316 57.4279 40.9544 178.5470 24 E 3.9616 8.6891 119.1406 59.3482 29.3803 179.6625 25 V 3.5964 7.7614 118.1457 66.2197 31.6531 177.9149 26 N 4.4225 8.5034 116.4869 56.3754 38.4218 177.3609 27 E 4.0200 8.6121 120.4303 59.2289 29.4387 179.1866 28 F 4.2514 8.3955 120.8372 61.3482 39.4470 177.3033 29 L 3.7832 8.3933 118.6316 57.4600 41.3320 179.3633 30 A 3.9725 8.1533 121.0552 55.1664 18.3100 179.4713 31 Q 3.8515 7.9113 117.9589 59.0920 29.0046 178.5856 32 V 3.3450 7.5498 119.5068 65.8896 31.4699 177.7937 33 R 3.8026 8.1496 118.8510 59.3089 29.8415 178.2612 34 K 3.9044 8.0125 119.1327 59.8360 32.4092 178.5693 35 D 4.3807 8.0595 119.1235 57.3227 40.6899 178.2679 36 Y 3.9281 8.3954 120.4943 60.7584 38.8421 177.5943 37 E 4.0518 8.6557 120.5246 59.3149 29.6550 178.9183 38 I 3.7412 7.8860 120.2827 64.1006 37.1690 178.6784 39 V 3.5664 7.5958 119.6350 64.8129 31.0719 178.3568 40 L 3.8813 7.8092 119.9047 57.3596 41.4467 179.4926 41 R 3.8708 8.3277 118.9249 59.4651 30.1120 178.7408 42 K 3.9669 8.1708 118.2970 59.1466 31.9393 179.3824 43 K 3.9232 8.1815 120.0111 59.8248 32.1748 179.0862 44 T 4.0146 8.1929 116.3923 66.6754 68.3208 176.5417 45 E 3.9549 8.3643 120.6146 59.1876 29.5071 179.1220 46 L 3.9198 7.8097 120.1045 58.2710 42.1697 178.7824 47 E 3.9566 8.3762 118.3711 59.4866 29.3057 179.3163 48 A 4.0015 8.1868 120.7255 55.0463 18.4043 179.8906 49 K 3.9266 8.1149 117.1495 59.4834 32.1216 179.7876 50 V 3.5686 7.8679 118.5974 65.9568 31.4299 177.6498 51 N 4.3088 8.3311 116.8562 56.8075 38.6095 176.7296 52 E 3.9656 8.3061 119.2704 59.1670 29.8325 178.8997 53 L 4.0942 7.9557 120.5835 58.1891 42.2527 178.5221 54 D 4.3647 8.2493 117.9816 57.2198 40.9299 177.8827 55 E 4.0798 8.2636 118.1888 58.4761 29.5000 178.3585 56 R 4.3586 7.5509 116.0288 56.3747 30.6985 176.3770 57 I 4.0108 7.5460 124.9232 61.4186 37.2502 175.4785 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 P 0.00 4.46 0.00 2.19 2.17 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.15 0.00 3 L 8.33 4.06 0.00 1.56 1.42 0.86 0.47 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 4 T 9.58 4.62 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 1.24 0.00 0.00 5 P 0.00 4.10 0.00 2.19 2.26 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 6 N 8.10 4.39 0.00 2.72 2.86 0.00 0.00 7.15 8.08 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 7 D 7.94 4.33 0.00 2.85 2.65 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 0.00 0.00 0.00 0.00 8 I 7.32 3.60 1.87 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.27 0.80 0.00 0.00 9 H 7.99 4.22 0.00 3.12 3.47 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.27 4.47 0.00 2.68 2.80 0.00 0.00 7.00 7.18 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 11 K 7.13 3.68 0.00 1.64 1.58 0.00 1.30 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.32 0.52 7.81 12 T 7.77 4.43 4.14 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 1.18 0.00 0.00 13 F 8.09 4.99 0.00 3.01 2.94 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 0.00 0.00 0.00 0.00 14 T 8.52 4.12 4.29 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 0.00 0.00 0.00 1.23 0.00 0.00 15 K 8.38 4.40 0.00 1.76 1.74 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.49 7.81 16 S 8.18 4.78 0.00 3.82 3.69 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 17 A 8.78 4.12 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 18 R 7.64 4.60 0.00 1.69 1.71 0.00 3.25 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 19 G 7.99 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 20 Y 8.11 4.53 0.00 2.90 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 21 D 8.96 4.36 0.00 2.73 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 22 E 8.89 4.01 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 2.46 2.53 0.00 23 D 8.17 4.38 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.69 3.96 0.00 2.15 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 2.33 2.52 0.00 25 V 7.76 3.60 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.90 0.00 0.00 26 N 8.50 4.42 0.00 2.91 2.89 0.00 0.00 7.10 8.51 0.00 0.00 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 E 8.61 4.02 0.00 2.11 2.04 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 2.36 2.48 0.00 28 F 8.40 4.25 0.00 3.14 3.20 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 0.00 0.00 0.00 0.00 29 L 8.39 3.78 0.00 1.76 1.70 1.16 1.32 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 30 A 8.15 3.97 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 31 Q 7.91 3.85 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 32 V 7.55 3.34 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.20 0.00 0.00 33 R 8.15 3.80 0.00 1.93 2.05 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 34 K 8.01 3.90 0.00 1.87 1.94 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 35 D 8.06 4.38 0.00 2.75 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 36 Y 8.40 3.93 0.00 3.12 3.03 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 37 E 8.66 4.05 0.00 2.25 2.11 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 2.32 2.39 0.00 38 I 7.89 3.74 2.01 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 1.58 0.73 0.90 0.00 0.00 39 V 7.60 3.57 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 0.70 0.00 0.00 0.81 0.00 0.00 40 L 7.81 3.88 0.00 1.88 1.74 1.09 0.52 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 41 R 8.33 3.87 0.00 1.95 2.06 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 42 K 8.17 3.97 0.00 1.95 1.82 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.67 7.81 43 K 8.18 3.92 0.00 1.79 1.90 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 44 T 8.19 4.01 4.23 0.00 0.00 0.00 0.00 0.00 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 45 E 8.36 3.95 0.00 2.00 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 2.32 2.61 0.00 46 L 7.81 3.92 0.00 1.94 1.65 0.91 0.90 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 47 E 8.38 3.96 0.00 2.20 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 2.32 2.43 0.00 48 A 8.19 4.00 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 49 K 8.11 3.93 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 50 V 7.87 3.57 2.22 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 0.99 0.00 0.00 0.96 0.00 0.00 51 N 8.33 4.31 0.00 2.79 2.92 0.00 0.00 7.26 7.19 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 52 E 8.31 3.97 0.00 2.10 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 2.34 2.39 0.00 53 L 7.96 4.09 0.00 1.77 1.81 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.25 4.36 0.00 2.95 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.26 4.08 0.00 1.98 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 2.58 2.45 0.00 56 R 7.55 4.36 0.00 1.96 1.96 0.00 3.31 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 57 I 7.55 4.01 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 1.16 0.70 0.91 0.00 0.00