NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4852 0.0000 0.0000 62.3980 33.6207 175.0966 2 I 4.7424 8.2478 122.9143 59.2484 40.3381 172.8304 3 A 4.7339 9.1489 130.0853 50.0137 21.9930 174.5964 4 Q 4.8432 8.7171 123.2313 54.4808 31.2330 174.4295 5 I 4.4464 8.6872 128.3848 59.9658 39.6352 174.5217 6 H 5.2698 8.8399 124.4750 54.2943 29.8928 174.2610 7 I 4.5957 8.5096 117.1302 58.5380 41.0784 175.0011 8 L 4.6307 8.3097 123.5437 54.2515 42.4812 176.8620 9 E 3.9794 9.1290 121.5933 57.3988 30.0824 176.5889 10 G 3.4737 8.8154 111.8847 45.7132 0.0000 174.4640 11 R 4.3189 7.5746 119.5620 55.5293 31.2365 176.5531 12 S 4.5580 8.3862 114.9942 57.6993 65.6229 175.1290 13 D 4.3717 8.4474 121.4706 57.5380 40.5177 178.9340 14 E 4.0136 8.0870 118.7394 59.3675 29.5568 179.1891 15 Q 4.0115 7.9136 118.0530 58.9574 28.8156 178.9237 16 K 4.0732 8.0598 119.2578 59.0044 32.1650 179.1093 17 E 3.9845 8.2253 120.0276 59.3044 29.4824 179.0308 18 T 3.8659 7.9961 115.9633 66.3767 68.5280 176.3205 19 L 3.9269 7.9165 122.2454 58.4799 41.9444 179.1637 20 I 3.6920 7.8102 119.5118 64.2073 36.9878 178.5528 21 R 3.8725 7.7787 119.0594 59.3981 29.9844 178.1548 22 E 3.8948 8.4864 118.7646 59.6902 29.6765 179.5725 23 V 3.5947 7.9638 118.0101 66.2595 31.6502 178.3020 24 S 4.1766 7.9140 114.9819 61.3921 62.5571 176.5316 25 E 3.9730 8.2460 121.1783 59.2371 29.4299 178.8551 26 A 4.0285 8.1265 120.8611 55.3469 18.3344 179.8950 27 I 3.6838 7.6927 117.7463 64.4173 37.2997 178.2404 28 S 4.1623 7.8718 113.8491 61.7141 62.3833 176.6295 29 R 3.9922 8.4233 118.9084 59.3171 29.0034 178.8900 30 S 4.2758 7.9281 114.8033 60.3610 62.9240 175.4298 31 L 4.5244 7.7144 118.5081 53.1045 42.4330 175.5789 32 D 4.3247 7.4731 116.0744 55.1445 40.2068 172.8523 33 A 4.7400 7.7312 118.9790 48.9267 21.2636 176.0118 34 P 4.3135 0.0000 0.0000 62.5035 32.1197 177.0367 35 L 3.9783 8.8689 124.9067 58.4063 41.9947 178.9263 36 T 4.0032 7.9068 107.1129 63.6932 68.7113 174.7778 37 S 4.4387 8.0802 116.1243 58.9746 63.8979 174.5625 38 V 4.0278 7.4945 122.3258 62.8745 32.1278 175.4631 39 R 4.6453 8.7422 125.7665 54.4244 33.2722 174.4508 40 V 4.8623 8.5300 123.5353 61.0668 34.4279 174.6372 41 I 4.5975 8.7175 127.1079 59.6377 40.5907 174.1966 42 I 4.7565 8.4313 127.6727 59.9745 39.0726 175.2044 43 T 4.5220 8.7689 123.2981 61.7734 71.3748 173.0580 44 E 4.8620 8.8343 126.1671 55.8115 31.1385 175.6745 45 M 4.8425 8.9370 122.6868 53.2128 35.1652 175.3432 46 A 4.6841 8.4557 124.4807 51.0761 19.3975 178.5706 47 K 3.2841 9.3037 121.3081 59.3173 32.3854 178.7113 48 G 4.1477 8.0076 105.0637 45.6841 0.0000 173.4522 49 H 4.9366 9.0944 115.7140 54.9566 29.6523 173.4599 50 F 5.0672 8.1809 122.6783 56.3103 41.2739 173.6536 51 G 4.1086 8.3706 116.8155 43.6247 0.0000 172.5291 52 I 4.0123 8.2494 123.7950 60.0539 39.4045 176.1783 53 G 3.8272 9.3667 113.0102 45.9973 0.0000 173.4494 54 G 3.9883 8.3093 108.3711 44.9560 0.0000 174.1571 55 E 4.4955 7.6757 118.5780 54.6443 30.8365 175.8611 56 L 4.4490 8.0903 120.7446 54.3886 42.5233 178.3396 57 A 4.0692 8.7110 125.5003 55.3008 18.5739 179.6406 58 S 4.2869 7.9211 110.4006 60.1798 63.2952 174.5113 59 K 4.1738 7.6155 123.6629 56.6682 32.3408 175.6174 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 4.49 0.00 2.09 2.03 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 2 I 8.25 4.74 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 1.27 0.71 0.91 0.00 0.00 3 A 9.15 4.73 1.21 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 0.00 0.00 0.00 4 Q 8.72 4.84 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.65 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 5 I 8.69 4.45 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.89 0.00 0.00 6 H 8.84 5.27 0.00 2.91 3.12 0.00 5.83 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.51 4.60 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.02 0.86 0.00 0.00 8 L 8.31 4.63 0.00 1.51 1.62 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.13 3.98 0.00 2.00 2.18 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 0.00 2.29 2.28 0.00 10 G 8.82 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 4.32 0.00 1.80 1.98 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 12 S 8.39 4.56 0.00 4.21 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 13 D 8.45 4.37 0.00 2.78 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 14 E 8.09 4.01 0.00 2.05 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 2.39 2.45 0.00 15 Q 7.91 4.01 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.06 4.07 0.00 1.82 1.83 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.65 7.81 17 E 8.23 3.98 0.00 2.20 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 2.30 2.34 0.00 18 T 8.00 3.87 4.46 0.00 0.00 0.00 0.00 0.00 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 19 L 7.92 3.93 0.00 1.85 1.85 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.81 3.69 1.99 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 1.39 1.06 0.90 0.00 0.00 21 R 7.78 3.87 0.00 1.89 2.07 0.00 3.10 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 1.62 1.66 0.00 22 E 8.49 3.89 0.00 1.97 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 2.49 2.46 0.00 23 V 7.96 3.59 2.17 0.00 0.00 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 0.94 0.00 0.00 24 S 7.91 4.18 0.00 4.10 3.89 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 25 E 8.25 3.97 0.00 2.18 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 2.32 0.00 26 A 8.13 4.03 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 27 I 7.69 3.68 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 1.41 0.80 0.91 0.00 0.00 28 S 7.87 4.16 0.00 4.01 4.03 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 29 R 8.42 3.99 0.00 2.04 2.30 0.00 2.82 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 30 S 7.93 4.28 0.00 4.07 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 31 L 7.71 4.52 0.00 1.67 1.67 0.92 1.04 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 32 D 7.47 4.32 0.00 2.88 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 33 A 7.73 4.74 1.24 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 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.23 2.21 0.00 3.72 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 2.07 1.95 0.00 35 L 8.87 3.98 0.00 1.74 1.73 0.93 0.76 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 36 T 7.91 4.00 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 37 S 8.08 4.44 0.00 3.95 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 38 V 7.49 4.03 2.17 0.00 0.00 0.00 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 0.97 0.00 0.00 39 R 8.74 4.65 0.00 1.76 1.77 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 40 V 8.53 4.86 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.72 4.60 1.84 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 1.21 0.68 0.87 0.00 0.00 42 I 8.43 4.76 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 0.87 0.00 0.00 43 T 8.77 4.52 3.91 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 E 8.83 4.86 0.00 1.83 1.84 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 2.24 2.30 0.00 45 M 8.94 4.84 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 46 A 8.46 4.68 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.30 3.28 0.00 1.82 1.94 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.56 7.81 48 G 8.01 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 9.09 4.94 0.00 3.35 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.18 5.07 0.00 2.97 2.92 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 0.00 0.00 0.00 0.00 51 G 8.37 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.25 4.01 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.16 0.82 0.00 0.00 53 G 9.37 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 0.00 0.00 0.00 54 G 8.31 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 0.00 0.00 0.00 55 E 7.68 4.50 0.00 1.97 1.83 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 2.24 2.38 0.00 56 L 8.09 4.45 0.00 1.75 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.71 4.07 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.92 4.29 0.00 3.95 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 59 K 7.62 4.17 0.00 1.86 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81