NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3611 0.0000 0.0000 61.7754 31.9598 176.0326 4 R 3.7734 8.2928 123.4142 55.5544 31.7382 174.0754 5 P 4.2282 0.0000 0.0000 65.9028 31.8850 178.6213 6 L 3.8453 7.7975 117.0870 57.7902 41.3998 179.0301 7 D 4.4146 8.0101 117.4146 57.4859 41.2291 178.6164 8 V 3.7094 7.6727 118.2251 65.7984 31.3208 177.8626 9 L 3.8677 7.7128 120.2539 57.9268 41.6846 178.4408 10 N 4.6371 8.1353 116.9419 56.4565 38.5993 177.1081 11 R 4.0086 7.5753 118.8036 59.1146 30.4200 178.2840 12 S 4.4144 7.8128 112.4882 58.0096 62.8798 174.1016 13 L 4.2758 7.0441 122.8726 56.4470 41.7765 177.6572 14 K 3.9606 8.8260 120.5522 56.8943 30.7794 175.6785 15 S 5.0530 7.8749 115.6786 55.6858 65.9854 171.9516 16 P 4.9466 0.0000 0.0000 63.3781 32.6096 175.5111 17 V 5.0299 8.5762 114.0939 60.3641 37.1980 173.5374 18 I 4.7247 9.5178 122.8083 59.6731 40.1515 175.2444 19 V 4.5962 8.8645 127.0127 61.0839 34.1008 173.9463 20 R 4.4289 8.2231 129.3216 54.8100 31.3539 174.9169 21 L 5.1900 8.6620 126.8634 52.4201 44.7489 176.0035 22 K 4.0419 8.4090 122.4508 57.2668 32.4551 176.1458 23 G 3.5877 10.0974 113.6299 44.4302 0.0000 173.8031 24 G 4.1041 7.8254 109.1324 45.8457 0.0000 174.9629 25 R 4.2086 7.8889 117.8838 56.2832 31.3962 175.4928 26 E 5.1941 8.6744 121.0683 55.0176 33.7935 173.7471 27 F 5.0981 9.3199 123.0057 55.6709 43.4748 174.1513 28 R 4.9873 8.4617 121.2400 54.8832 33.2340 174.9422 29 G 4.3023 8.3239 109.5833 45.5616 0.0000 172.4014 30 T 4.4796 8.2511 118.0108 63.2236 69.6810 173.9004 31 L 4.5346 8.8643 129.5835 55.4298 42.0809 176.3678 32 D 4.5368 9.1046 127.9465 56.0790 42.4171 175.9209 33 G 4.1920 7.5866 103.6189 46.1654 0.0000 171.7885 34 Y 5.7611 7.7748 115.0200 57.1943 40.3052 173.4377 35 D 4.8924 8.0188 119.7319 52.1460 41.9267 174.8447 36 I 3.6333 8.4247 117.8241 65.8755 37.2258 177.0116 37 H 4.2035 7.8651 115.8065 57.1197 28.7135 175.8437 38 M 3.2762 7.9661 118.0163 56.4145 31.0465 176.2558 39 N 4.8763 8.0310 113.6750 52.9784 40.0675 174.1115 40 L 5.4256 9.2347 120.3235 53.0673 46.6286 175.6246 41 V 4.8239 8.7043 119.7747 61.2208 34.6870 174.2953 42 L 5.3631 8.6201 126.3337 52.9454 45.7203 175.2887 43 L 5.0566 8.9309 122.3946 52.9191 44.4614 175.9151 44 D 4.6697 8.2995 120.4250 55.4639 38.2205 172.6062 45 A 5.2470 7.5267 120.8781 50.3212 23.1860 176.4190 46 E 5.0142 9.1926 119.1959 54.3936 33.2214 175.1975 47 E 3.6636 9.1801 125.8067 55.6178 31.2674 175.2821 48 I 4.9565 8.4905 126.1015 59.5649 41.2284 174.2438 49 Q 4.4224 8.7302 127.0621 54.7736 32.4131 174.5896 50 N 3.8658 9.5095 124.6298 54.5982 35.7398 176.6916 51 G 4.0329 8.4200 106.0747 45.6718 0.0000 174.0160 52 E 4.5964 7.4620 119.5263 54.0909 31.3601 175.8715 53 V 4.1128 8.1516 122.6949 63.3099 32.1300 175.9855 54 V 4.3815 8.4182 116.5562 59.9438 33.8291 175.7946 55 R 4.4675 6.8881 120.5866 55.9616 32.2792 172.5942 56 K 5.0554 8.5611 122.8117 54.8670 34.5973 176.5816 57 V 4.2647 8.8401 114.1796 60.3577 34.2628 178.0350 58 G 4.0677 9.2266 107.8421 45.1684 0.0000 172.8717 59 S 5.5165 7.3832 110.8670 58.4770 66.3055 177.0194 60 V 4.1138 7.4922 117.0741 61.1120 34.0767 171.1787 61 V 4.5743 8.5314 125.3308 61.6748 32.6325 174.6466 62 I 4.3941 8.3118 129.3952 59.2333 39.7915 175.6796 63 R 4.3412 8.5251 126.2699 55.8378 30.8164 178.0443 64 G 3.8330 9.1400 111.5654 47.9167 0.0000 175.1289 65 D 4.3387 8.1826 118.8121 57.1071 41.4507 176.9286 66 T 4.2240 7.8063 107.2544 61.9077 69.5246 174.5298 67 V 4.1351 7.4525 123.6166 62.9997 32.2056 175.1497 68 V 4.2172 8.9658 128.8684 64.4985 32.1206 175.5551 69 F 5.0181 7.1692 112.8676 55.9533 41.0633 172.4733 70 V 5.1840 8.5546 119.2052 61.3280 34.1973 174.7161 71 S 4.8917 9.3385 121.7822 55.9711 66.6159 171.7302 72 P 4.7424 0.0000 0.0000 62.7850 32.0235 176.1153 73 A 4.2042 8.2194 124.3427 52.6022 18.4195 177.2808 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 3 P 0.00 4.36 0.00 2.05 2.11 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 4 R 8.29 3.77 0.00 1.97 2.07 0.00 3.25 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 5 P 0.00 4.23 0.00 2.17 2.07 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 6 L 7.80 3.85 0.00 1.69 1.74 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.01 4.41 0.00 2.80 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 8 V 7.67 3.71 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 0.97 0.00 0.00 0.99 0.00 0.00 9 L 7.71 3.87 0.00 1.70 1.33 0.79 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.14 4.64 0.00 3.07 3.12 0.00 0.00 7.15 7.16 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 11 R 7.58 4.01 0.00 2.05 1.99 0.00 3.43 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 12 S 7.81 4.41 0.00 3.97 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 0.00 13 L 7.04 4.28 0.00 1.65 1.67 1.07 0.98 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 14 K 8.83 3.96 0.00 1.94 1.97 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.55 7.81 15 S 7.87 5.05 0.00 3.94 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 16 P 0.00 4.95 0.00 2.14 2.20 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 17 V 8.58 5.03 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 0.80 0.00 0.00 1.01 0.00 0.00 18 I 9.52 4.72 2.14 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.85 1.04 0.00 0.00 19 V 8.86 4.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 20 R 8.22 4.43 0.00 0.67 0.66 0.00 3.01 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.38 0.00 21 L 8.66 5.19 0.00 1.67 1.62 1.03 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.41 4.04 0.00 1.77 1.82 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.40 7.81 23 G 10.10 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 4.10 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 0.00 0.00 0.00 25 R 7.89 4.21 0.00 1.78 1.94 0.00 3.75 0.00 0.00 3.41 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.46 0.00 26 E 8.67 5.19 0.00 1.92 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 27 F 9.32 5.10 0.00 2.99 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 28 R 8.46 4.99 0.00 1.74 1.82 0.00 3.16 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 29 G 8.32 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.25 4.48 4.36 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 1.25 0.00 0.00 31 L 8.86 4.53 0.00 1.83 1.74 1.05 0.80 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 32 D 9.10 4.54 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.77 5.76 0.00 3.08 2.91 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 0.00 35 D 8.02 4.89 0.00 2.85 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 36 I 8.42 3.63 1.70 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.83 0.00 0.00 37 H 7.87 4.20 0.00 3.33 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 7.97 3.28 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 39 N 8.03 4.88 0.00 2.87 2.81 0.00 0.00 6.81 6.73 0.00 0.00 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 L 9.23 5.43 0.00 1.47 1.51 0.90 1.12 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 41 V 8.70 4.82 2.20 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 1.11 0.00 0.00 0.92 0.00 0.00 42 L 8.62 5.36 0.00 1.63 1.53 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.93 5.06 0.00 1.54 1.55 1.00 1.04 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 44 D 8.30 4.67 0.00 2.77 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 45 A 7.53 5.25 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 46 E 9.19 5.01 0.00 1.79 1.75 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 2.20 2.22 0.00 47 E 9.18 3.66 0.00 1.39 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.47 0.00 48 I 8.49 4.96 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.26 0.88 0.00 0.00 49 Q 8.73 4.42 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.22 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 50 N 9.51 3.87 0.00 3.02 2.89 0.00 0.00 7.06 7.71 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 51 G 8.42 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 0.00 0.00 0.00 52 E 7.46 4.60 0.00 1.98 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 2.22 2.34 0.00 53 V 8.15 4.11 2.05 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 0.80 0.00 0.00 0.89 0.00 0.00 54 V 8.42 4.38 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 0.72 0.00 0.00 0.83 0.00 0.00 55 R 6.89 4.47 0.00 1.80 1.68 0.00 3.17 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 56 K 8.56 5.06 0.00 1.76 1.69 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.40 7.81 57 V 8.84 4.26 2.31 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 1.01 0.00 0.00 1.17 0.00 0.00 58 G 9.23 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.38 5.52 0.00 3.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.49 4.11 2.05 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 0.32 0.00 0.00 0.67 0.00 0.00 61 V 8.53 4.57 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 0.78 0.00 0.00 0.90 0.00 0.00 62 I 8.31 4.39 1.74 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.42 0.80 0.00 0.00 63 R 8.53 4.34 0.00 1.81 1.83 0.00 3.27 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 64 G 9.14 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 65 D 8.18 4.34 0.00 2.63 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 66 T 7.81 4.22 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 1.20 0.00 0.00 67 V 7.45 4.14 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 0.72 0.00 0.00 0.96 0.00 0.00 68 V 8.97 4.22 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 0.98 0.00 0.00 0.92 0.00 0.00 69 F 7.17 5.02 0.00 3.08 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.55 5.18 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 0.89 0.00 0.00 0.93 0.00 0.00 71 S 9.34 4.89 0.00 3.89 3.92 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 72 P 0.00 4.74 0.00 2.11 2.11 0.00 3.77 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 2.00 1.98 0.00 73 A 8.22 4.20 1.26 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 0.00 0.00 0.00