NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5590 8.1476 118.3249 55.3230 33.4359 173.5746 2 Q 5.4379 8.4754 117.3933 52.1521 31.4370 172.8127 3 I 4.6059 8.5775 114.9060 59.2262 42.3652 174.7073 4 F 5.5219 8.8957 120.4047 55.7559 42.5490 175.0177 5 V 4.7712 8.9301 121.1868 61.1351 35.0191 174.0752 6 K 4.5279 8.9557 130.3388 55.7587 33.2194 176.7440 7 T 4.5553 8.9390 125.1869 62.8522 69.2741 175.9164 8 L 4.1649 8.2807 122.2767 57.6380 41.9258 178.9488 9 T 3.8933 7.9271 114.8960 65.4642 68.5313 173.9911 10 G 4.1229 8.1422 108.6757 45.3556 0.0000 174.3130 11 K 3.8745 8.0864 120.7248 57.4614 33.1177 175.5771 12 T 5.1494 8.5204 123.8510 62.0282 70.0681 173.9596 13 I 4.7999 8.8959 119.9660 59.3018 41.1291 174.3838 14 T 5.0806 8.4409 112.5900 60.2281 71.0184 173.5632 15 L 4.8442 8.4521 122.1171 52.9819 46.3571 174.9579 16 E 4.8514 8.6278 121.9425 54.9559 30.5953 175.3167 17 V 4.7710 8.6872 119.4929 60.0419 36.3979 174.2624 18 E 4.7279 9.4321 121.2105 53.8950 32.6436 175.7841 19 P 4.1842 0.0000 0.0000 65.7897 31.5470 178.4946 20 S 4.3284 7.9147 110.1807 59.4450 63.6780 174.1770 21 D 4.4419 8.1954 123.7248 54.5562 41.2281 176.2505 22 T 4.6762 8.2343 113.7873 61.0887 71.3278 176.0692 23 I 3.6565 8.2822 123.1056 64.6694 37.2111 178.2573 24 E 3.8424 7.5962 120.0278 59.5187 28.9368 178.6567 25 N 4.2695 8.3528 116.9776 56.7239 39.0740 176.9224 26 V 3.6111 8.1447 120.0116 65.9953 31.6114 177.9827 27 K 4.5917 8.8984 119.6504 59.0205 31.8654 179.1299 28 A 4.0531 7.9255 120.3941 54.9333 18.2291 179.7744 29 K 4.0231 7.6634 116.0342 59.3519 32.1610 179.6169 30 I 3.7285 7.8505 120.3373 64.1347 36.9378 178.1371 31 Q 4.0219 8.1167 120.4872 59.3342 28.6876 178.0275 32 D 4.3480 7.7658 118.4469 57.3112 40.9618 178.6547 33 K 4.0834 7.8324 118.4369 59.1696 32.4861 177.9728 34 E 4.4920 8.8657 115.9840 55.7457 30.6212 177.2789 35 G 3.9303 8.4631 107.4906 45.0846 0.0000 173.6837 36 I 3.7217 7.4556 120.1917 60.5618 37.3021 174.1355 37 P 4.3135 0.0000 0.0000 62.0797 31.8633 175.8136 38 P 4.3397 0.0000 0.0000 65.5778 31.3972 177.7063 39 D 4.5730 8.0463 115.2476 54.7590 39.6733 176.5785 40 Q 4.4198 8.1527 118.3502 55.9576 29.8786 175.4494 41 Q 4.3203 7.7838 119.0289 54.8794 29.9680 174.6208 42 R 4.6292 8.3682 121.7673 54.6869 33.2970 173.3601 43 L 5.2295 8.5294 126.5341 53.3006 44.1568 175.4303 44 I 4.8662 8.9961 124.5408 59.4409 40.1750 174.3394 45 F 5.1208 9.0155 128.6873 56.5790 42.2189 174.7942 46 A 3.2991 9.0453 129.7687 53.2100 15.7159 177.1761 47 G 3.9061 8.2958 104.3924 46.0751 0.0000 173.4799 48 K 4.6201 7.6836 117.7318 54.3612 35.6510 175.3197 49 Q 4.5435 8.5874 122.6078 56.3084 29.7739 174.9104 50 L 4.2654 8.4926 126.2943 53.3946 43.4376 175.8195 51 E 4.7605 9.1602 122.5005 54.5032 31.9725 176.9478 52 D 4.4089 9.0243 122.6127 57.6325 41.2864 179.3927 53 G 3.4891 8.2047 106.6074 48.5061 0.0000 174.0639 54 R 4.3165 7.9514 118.6120 55.6588 31.0988 175.5211 55 T 4.9757 9.5285 110.8637 59.8721 71.3071 175.8110 56 L 4.1073 8.5881 121.5960 58.0260 41.3626 180.1119 57 S 4.1559 8.3766 114.3157 61.3963 62.6100 176.1086 58 D 4.2467 7.8368 121.8508 57.3503 40.6675 177.6675 59 Y 4.3713 7.3453 112.9395 56.9268 39.0919 174.7061 60 N 4.1464 8.0283 117.9420 54.4950 37.7645 174.7237 61 I 3.9102 7.9400 118.4541 60.4799 38.2660 176.4518 62 Q 4.5592 7.8286 124.5615 53.0471 31.0286 175.0788 63 K 3.9081 8.3245 117.6102 59.1505 32.3808 176.5820 64 E 3.7273 9.3085 121.0138 56.8229 27.6667 174.5917 65 S 4.6786 7.7011 113.8955 58.4493 64.8476 172.9969 66 T 5.1230 8.6720 118.1606 62.3114 69.9424 174.0501 67 L 5.0881 8.9620 126.3501 53.5813 44.8491 175.0387 68 H 5.1412 9.2028 118.7848 53.9913 31.7348 173.0469 69 L 4.9807 8.3350 124.6320 54.3498 43.0550 175.9776 70 V 4.6924 8.5186 117.6348 59.8397 35.9914 174.4334 71 L 4.8388 8.3986 120.8297 52.9496 44.9661 176.4527 72 R 4.4504 8.2649 118.8157 55.5437 31.2447 177.3140 73 L 4.6190 7.9468 121.5977 52.1493 41.2828 175.6169 74 R 4.0142 8.0460 119.9013 56.5784 30.9829 177.2332 75 G 3.7330 8.3741 109.6285 46.1001 0.0000 172.5776 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 M 8.15 4.56 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.74 0.00 2 Q 8.48 5.44 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 3 I 8.58 4.61 1.86 0.00 0.00 0.76 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 0.78 0.76 0.00 0.00 4 F 8.90 5.52 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.93 4.77 2.10 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 1.04 0.00 0.00 0.93 0.00 0.00 6 K 8.96 4.53 0.00 1.72 1.50 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.50 7.81 7 T 8.94 4.56 4.38 0.00 0.00 0.00 0.00 0.00 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 8 L 8.28 4.16 0.00 1.64 1.74 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.93 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 1.23 0.00 0.00 10 G 8.14 4.12 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 0.00 0.00 0.00 11 K 8.09 3.87 0.00 1.85 1.72 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 12 T 8.52 5.15 4.20 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 1.20 0.00 0.00 13 I 8.90 4.80 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 1.46 1.37 0.98 0.00 0.00 14 T 8.44 5.08 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 1.34 0.00 0.00 15 L 8.45 4.84 0.00 1.50 1.49 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.85 0.00 1.92 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 2.17 2.27 0.00 17 V 8.69 4.77 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 0.66 0.00 0.00 0.90 0.00 0.00 18 E 9.43 4.73 0.00 1.78 1.78 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 0.00 2.18 2.37 0.00 19 P 0.00 4.18 0.00 2.16 2.10 0.00 3.57 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 2.10 2.07 0.00 20 S 7.91 4.33 0.00 3.97 3.98 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 21 D 8.20 4.44 0.00 2.80 2.62 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 22 T 8.23 4.68 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 1.22 0.00 0.00 23 I 8.28 3.66 2.11 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.39 0.92 0.00 0.00 24 E 7.60 3.84 0.00 1.86 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 2.37 0.00 25 N 8.35 4.27 0.00 2.76 2.95 0.00 0.00 6.93 8.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.14 3.61 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 0.94 0.00 0.00 0.90 0.00 0.00 27 K 8.90 4.59 0.00 1.95 1.85 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.32 7.81 28 A 7.93 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 4.02 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.70 7.81 30 I 7.85 3.73 2.16 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 1.40 0.93 0.91 0.00 0.00 31 Q 8.12 4.02 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 D 7.77 4.35 0.00 2.85 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 33 K 7.83 4.08 0.00 1.91 1.82 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 34 E 8.87 4.49 0.00 2.07 1.97 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 2.26 2.44 0.00 35 G 8.46 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 0.00 0.00 0.00 36 I 7.46 3.72 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 1.42 0.58 0.91 0.00 0.00 37 P 0.00 4.31 0.00 2.17 1.99 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.34 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 39 D 8.05 4.57 0.00 2.79 2.79 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 0.00 0.00 0.00 0.00 40 Q 8.15 4.42 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 41 Q 7.78 4.32 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 42 R 8.37 4.63 0.00 1.83 1.82 0.00 3.16 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 43 L 8.53 5.23 0.00 1.59 1.53 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.00 4.87 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 1.12 1.10 0.91 0.00 0.00 45 F 9.02 5.12 0.00 2.97 2.79 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 0.00 0.00 0.00 0.00 46 A 9.05 3.30 0.37 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 47 G 8.30 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 0.00 0.00 0.00 48 K 7.68 4.62 0.00 1.93 1.86 0.00 1.48 0.00 0.00 1.64 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.44 7.81 49 Q 8.59 4.54 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.49 4.27 0.00 1.41 1.25 0.75 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.16 4.76 0.00 2.03 1.89 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 2.28 2.35 0.00 52 D 9.02 4.41 0.00 2.76 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 53 G 8.20 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.95 4.32 0.00 2.08 1.91 0.00 3.12 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 55 T 9.53 4.98 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 56 L 8.59 4.11 0.00 1.95 1.74 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.38 4.16 0.00 4.03 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 0.00 58 D 7.84 4.25 0.00 2.50 2.37 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 59 Y 7.35 4.37 0.00 3.16 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 60 N 8.03 4.15 0.00 2.87 2.94 0.00 0.00 7.10 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.94 3.91 1.87 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.52 0.57 0.00 0.00 62 Q 7.83 4.56 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 63 K 8.32 3.91 0.00 1.81 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.50 7.81 64 E 9.31 3.73 0.00 2.18 2.36 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 2.47 2.16 0.00 65 S 7.70 4.68 0.00 3.92 4.05 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 66 T 8.67 5.12 4.40 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 1.21 0.00 0.00 67 L 8.96 5.09 0.00 1.59 1.60 0.84 0.76 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 68 H 9.20 5.14 0.00 3.03 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.33 4.98 0.00 1.90 1.56 0.96 0.87 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 70 V 8.52 4.69 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 0.76 0.00 0.00 1.01 0.00 0.00 71 L 8.40 4.84 0.00 1.59 1.54 0.92 0.90 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 72 R 8.26 4.45 0.00 1.80 1.85 0.00 3.16 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 73 L 7.95 4.62 0.00 1.60 1.59 0.92 0.92 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 74 R 8.05 4.01 0.00 1.80 1.88 0.00 3.22 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 75 G 8.37 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00