NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3889 8.2893 120.3481 55.2972 33.1371 175.2443 1 N 4.4397 8.5351 123.8166 50.8185 38.5638 169.5850 2 V 3.7801 7.9888 119.6194 62.2874 32.7111 175.3725 3 P 5.1202 0.0000 0.0000 62.0891 32.3759 176.0637 4 D 4.5949 8.8776 120.0059 57.3434 42.0522 176.0962 5 M 5.3184 7.7235 116.3389 54.3230 36.1835 173.6458 6 I 5.0878 9.1009 125.4500 59.6927 41.3641 174.0101 7 L 5.3611 8.9064 127.6697 53.2662 43.9573 175.4127 8 Y 5.1793 8.3914 120.9702 54.9969 42.6915 174.0415 9 N 4.2999 8.9725 114.0348 54.9340 37.6275 172.4855 10 G 4.1753 8.0127 105.4716 44.5234 0.0000 172.0253 11 K 4.7375 8.6685 120.3052 54.7675 35.4826 175.8444 12 I 4.9355 8.8880 127.0455 59.5178 40.1802 175.4009 13 T 4.6439 8.6786 124.8131 63.7811 68.4911 174.7085 14 T 4.2689 8.5796 115.5482 60.2692 70.9975 174.9777 15 L 3.5821 8.0922 119.7991 55.6093 38.7190 173.3971 16 D 4.8059 7.8086 119.0317 51.7493 41.9230 174.5652 17 P 4.2452 0.0000 0.0000 65.9731 31.6918 178.2842 18 S 4.2811 8.6922 114.1044 61.0443 62.4451 175.4211 19 Q 4.4331 7.9880 121.9738 53.2088 28.7100 173.2279 20 P 4.1489 0.0000 0.0000 65.6218 32.6835 175.7725 21 E 5.1729 7.7716 120.8973 54.7775 32.6028 174.6866 22 V 4.7625 8.9141 119.2505 59.8128 36.1048 175.9869 23 S 5.4228 8.9985 113.7287 57.8842 64.8526 173.3960 24 A 5.1453 8.5252 122.2415 50.8545 23.0794 174.8241 25 I 5.0696 9.0656 118.8896 59.5231 42.2755 173.5022 26 A 5.3501 9.2042 129.7377 50.2345 22.1026 175.3282 27 I 5.1386 8.9029 121.6404 59.8570 41.4530 174.8092 28 T 4.7592 8.6453 122.7226 62.0240 72.2101 174.0950 29 D 4.0828 10.3094 128.6869 55.5308 38.7673 175.0548 30 G 3.9428 8.3342 103.9481 45.7561 0.0000 173.4734 31 L 4.7405 7.4371 119.6087 52.5139 44.2945 175.8362 32 I 4.3853 8.2601 123.1683 61.3405 37.2605 176.0245 33 T 4.3164 8.3036 115.7124 62.2281 70.0443 174.6537 34 A 4.5492 7.2654 122.4768 51.4851 21.7981 175.2771 35 V 5.0048 8.9288 112.8313 58.8941 36.6863 177.5643 36 G 4.3347 7.4171 111.5926 46.6263 0.0000 171.9422 37 G 4.5815 9.0273 116.0825 43.6179 0.0000 172.8209 38 D 4.4612 8.8936 118.3422 57.2099 40.7807 178.1401 39 E 4.0535 8.2032 117.4695 58.8726 29.5029 178.8740 40 L 4.0448 8.0437 120.3513 57.5211 41.7493 178.9380 41 L 4.0015 7.9661 118.6266 57.0531 41.2015 178.8969 42 N 4.4348 7.9698 116.2475 55.4602 38.5133 175.8753 43 S 4.3589 7.9161 112.9972 58.7168 63.9081 174.4495 44 A 4.2520 7.4175 124.5504 52.0917 19.2070 176.6994 45 T 4.7819 8.0040 109.7200 59.8419 71.7593 174.3719 46 E 4.0265 8.7669 119.3470 59.5081 29.4701 178.4615 47 K 4.1860 7.6071 116.8646 58.1235 32.5418 177.1827 48 T 4.3143 7.5571 116.6182 63.1860 69.0814 174.5370 49 K 4.4574 8.7892 126.1807 55.5770 33.8368 175.9289 50 K 5.2271 8.6683 122.9643 54.6802 35.4140 175.5947 51 I 4.4555 9.0718 124.9136 59.4846 40.4069 174.7049 52 D 3.8039 8.7208 127.8828 52.7652 40.4735 176.0666 53 L 3.9372 8.3300 128.1783 55.4392 42.1589 177.5118 54 K 3.7284 8.7637 117.7676 57.6460 29.7575 176.0149 55 R 3.8854 8.6343 113.6166 56.5543 29.3258 177.5361 56 K 4.2907 7.5488 118.0833 56.0563 33.4144 176.3471 57 R 4.7601 8.4251 122.2088 56.1481 31.0589 175.3715 58 A 4.9515 8.9504 126.8176 50.0925 21.6929 175.6131 59 I 4.6504 8.2031 113.9631 57.9394 40.9129 173.5176 60 P 4.3252 0.0000 0.0000 62.3969 31.7633 176.9035 61 G 3.6925 8.4221 111.2970 44.9026 0.0000 173.0912 62 L 3.8620 8.4360 123.7725 55.3757 42.2540 176.5681 63 N 4.8336 8.5104 123.6275 51.5920 39.7300 172.0677 64 D 4.8686 8.0470 122.8146 51.7912 44.6308 176.4139 65 S 4.2574 8.7724 119.0654 60.6651 63.2251 174.4241 66 H 4.7472 8.4350 117.2242 55.6205 29.2183 174.8357 67 I 4.6496 7.5152 112.6633 59.0508 40.2892 173.9896 68 H 4.6463 8.7402 122.3884 54.3544 31.1340 173.9653 69 V 3.9225 7.9718 126.9695 61.3349 31.4073 175.4115 70 I 3.8554 8.3529 129.2815 61.6189 37.1141 175.9928 71 R 4.5297 8.6154 124.3433 55.1198 32.3085 176.7328 72 G 3.9935 8.7548 107.8130 45.1368 0.0000 173.9641 73 L 4.0417 7.5501 119.9406 55.4695 42.3535 176.7921 74 E 4.1216 8.8268 121.5815 57.0197 29.5633 174.3619 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 0 M 8.29 4.39 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 N 8.54 4.44 0.00 2.93 2.80 0.00 0.00 6.22 6.79 0.00 0.00 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 V 7.99 3.78 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 0.83 0.00 0.00 0.92 0.00 0.00 3 P 0.00 5.12 0.00 2.22 2.03 0.00 3.55 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 4 D 8.88 4.59 0.00 2.77 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 5 M 7.72 5.32 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 6 I 9.10 5.09 1.88 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 1.23 0.59 0.99 0.00 0.00 7 L 8.91 5.36 0.00 1.67 1.58 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.39 5.18 0.00 3.01 2.98 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 0.00 0.00 0.00 9 N 8.97 4.30 0.00 2.80 2.57 0.00 0.00 6.51 8.28 0.00 0.00 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 G 8.01 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.67 4.74 0.00 1.68 1.85 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.36 7.81 12 I 8.89 4.94 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.97 0.00 0.00 13 T 8.68 4.64 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 14 T 8.58 4.27 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 1.31 0.00 0.00 15 L 8.09 3.58 0.00 1.84 1.85 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.81 4.81 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.08 2.13 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 18 S 8.69 4.28 0.00 3.97 3.93 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 0.00 0.00 0.00 19 Q 7.99 4.43 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 20 P 0.00 4.15 0.00 2.14 2.35 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 21 E 7.77 5.17 0.00 1.75 1.81 0.00 0.00 0.00 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 2.32 0.00 22 V 8.91 4.76 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 0.69 0.00 0.00 1.01 0.00 0.00 23 S 9.00 5.42 0.00 4.00 4.09 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 24 A 8.53 5.15 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 25 I 9.07 5.07 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.47 0.93 0.00 0.00 26 A 9.20 5.35 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 27 I 8.90 5.14 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.97 0.00 0.00 28 T 8.65 4.76 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 1.25 0.00 0.00 29 D 10.31 4.08 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.94 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 0.00 0.00 0.00 31 L 7.44 4.74 0.00 1.84 1.54 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.26 4.39 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.96 0.00 0.00 33 T 8.30 4.32 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 34 A 7.27 4.55 1.23 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 0.00 0.00 0.00 35 V 8.93 5.00 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 0.77 0.00 0.00 0.94 0.00 0.00 36 G 7.42 4.33 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 0.00 37 G 9.03 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.89 4.46 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.20 4.05 0.00 2.14 2.21 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 2.36 2.34 0.00 40 L 8.04 4.04 0.00 1.95 1.75 0.92 0.43 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 L 7.97 4.00 0.00 1.64 1.54 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.97 4.43 0.00 2.82 2.86 0.00 0.00 6.96 7.73 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 43 S 7.92 4.36 0.00 3.97 3.96 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 44 A 7.42 4.25 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 4.78 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 46 E 8.77 4.03 0.00 1.97 2.06 0.00 0.00 0.00 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 2.33 0.00 47 K 7.61 4.19 0.00 1.69 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.40 7.81 48 T 7.56 4.31 4.31 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 1.25 0.00 0.00 49 K 8.79 4.46 0.00 1.91 1.73 0.00 1.49 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.47 7.81 50 K 8.67 5.23 0.00 1.68 1.85 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.42 7.81 51 I 9.07 4.46 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.10 0.88 0.00 0.00 52 D 8.72 3.80 0.00 2.48 2.47 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 53 L 8.33 3.94 0.00 1.86 1.62 0.92 0.57 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 54 K 8.76 3.73 0.00 1.80 1.80 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.63 7.81 55 R 8.63 3.89 0.00 1.89 2.04 0.00 3.54 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 56 K 7.55 4.29 0.00 1.77 1.70 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.62 7.81 57 R 8.43 4.76 0.00 1.81 1.80 0.00 3.17 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 58 A 8.95 4.95 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.20 4.65 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 0.76 0.91 0.00 0.00 60 P 0.00 4.33 0.00 2.06 2.03 0.00 3.68 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 2.03 2.09 0.00 61 G 8.42 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 0.00 0.00 0.00 62 L 8.44 3.86 0.00 1.61 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.51 4.83 0.00 2.78 2.66 0.00 0.00 6.87 8.47 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 64 D 8.05 4.87 0.00 2.74 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.26 0.00 3.95 3.95 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 0.00 0.00 0.00 66 H 8.44 4.75 0.00 3.25 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.52 4.65 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.94 0.00 0.00 68 H 8.74 4.65 0.00 3.10 3.24 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.97 3.92 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 0.84 0.00 0.00 0.92 0.00 0.00 70 I 8.35 3.86 1.89 0.00 0.00 0.88 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 0.72 0.93 0.00 0.00 71 R 8.62 4.53 0.00 1.78 1.83 0.00 3.33 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 72 G 8.75 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 73 L 7.55 4.04 0.00 1.65 1.62 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.83 4.12 0.00 2.10 1.91 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 2.22 2.22 0.00