NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5273 8.3349 116.8074 58.2598 64.3205 173.5281 3 D 4.4084 8.5791 124.8693 52.6673 41.4726 174.5936 4 K 3.0398 9.0417 124.9174 55.2251 33.6249 174.7302 5 P 4.3045 0.0000 0.0000 62.4973 31.7397 176.5388 6 K 4.1877 8.4941 122.5852 55.9592 32.7240 177.2122 7 R 3.3279 8.2618 121.1074 55.4367 30.5555 175.1500 8 P 4.3022 0.0000 0.0000 62.2445 32.1793 175.9257 9 L 4.2012 8.0211 119.6394 54.2073 42.5927 177.9313 10 S 4.4934 8.3142 117.3697 57.5818 65.4904 175.2744 11 A 4.2873 8.5473 123.5074 55.5869 18.1386 179.2578 12 Y 2.6948 7.8613 117.2538 60.3529 38.9992 177.8692 13 A 3.6932 7.6136 121.1797 54.8633 18.3752 179.7455 14 L 3.7817 7.8735 117.4914 57.4962 41.5747 179.3094 15 W 2.5400 7.3675 126.7376 59.8421 30.8346 177.0848 16 L 2.7123 7.4725 120.4445 57.9020 41.0450 178.6202 17 N 4.0563 7.1175 114.6518 56.1880 38.6027 176.8172 18 S 4.2752 7.0086 111.3761 58.8246 63.4717 174.1820 19 A 4.2797 7.2695 123.4411 50.7804 20.5589 178.3788 20 R 3.6671 7.7348 115.4482 59.1461 30.0602 177.8897 21 E 3.8170 8.0324 118.2181 59.6661 29.2761 178.7478 22 S 4.0677 7.8037 110.8430 61.3421 62.7976 175.5807 23 I 3.8440 7.8260 122.5916 64.3673 36.7324 178.3881 24 K 3.8744 8.1980 119.4522 59.6470 31.7144 179.3417 25 R 3.8868 7.8765 117.2990 58.6955 29.9900 177.3179 26 E 4.5690 7.8994 115.9916 55.9867 32.1605 175.7365 27 N 5.0316 7.7470 116.0978 50.2246 39.3171 172.1387 28 P 4.2551 0.0000 0.0000 64.4812 32.3436 177.3869 29 G 3.8861 8.8970 109.4806 45.4853 0.0000 173.3646 30 I 3.8274 7.3118 119.4035 60.9502 38.6528 175.8883 31 K 4.3769 9.2221 127.2760 55.4292 32.7387 178.3970 32 V 3.6572 8.4036 121.7159 65.2429 30.7137 178.3501 33 T 4.1136 7.8196 109.1756 63.8124 69.0140 176.6564 34 E 3.9993 8.1629 122.0813 59.1273 29.4738 179.2411 35 V 3.5445 7.7458 117.7059 65.7606 31.6980 177.3863 36 A 4.0360 7.6259 120.1553 55.4901 17.7253 179.5630 37 K 3.9172 7.8093 117.6029 59.6722 32.3624 178.8732 38 R 3.9234 8.4773 119.0922 58.9181 30.1541 178.6227 39 G 4.2478 8.9384 106.4668 47.6676 0.0000 175.9555 40 G 3.7577 8.3841 108.4305 47.0716 0.0000 174.8900 41 E 4.4279 7.8672 118.1758 57.1861 30.3747 178.1212 42 L 4.1420 7.8177 118.8573 56.8449 41.9396 178.7946 43 W 3.9213 7.6624 127.5553 60.2887 30.5188 178.0394 44 R 3.6597 7.5044 116.4504 59.4293 29.7045 178.7876 45 A 4.2389 7.5288 118.3501 53.4268 18.3729 177.0525 46 M 3.9609 7.7228 117.5659 55.4521 31.9816 176.1395 47 K 3.9361 8.5484 127.0393 58.2087 32.5826 176.6407 48 D 4.6585 7.7537 118.0584 52.6135 40.8311 174.7124 49 K 4.5617 8.0563 123.4829 56.0877 32.7896 179.0953 50 S 4.0668 8.2786 117.1797 61.5270 62.8672 175.7592 51 E 3.6433 8.0225 122.8918 58.8138 29.2996 178.7200 52 W 4.6714 7.8275 117.5126 59.1533 29.4659 178.4607 53 E 4.1711 8.4887 119.0265 59.1703 29.0130 178.8571 54 A 4.0443 8.5040 121.3111 55.2460 18.4441 179.9267 55 K 3.9934 8.1617 116.5833 59.5531 32.1874 179.5593 56 A 4.1139 8.2293 120.6685 54.8426 18.1272 179.6012 57 A 3.9142 7.9888 119.1580 55.1355 18.5072 179.3247 58 K 3.7483 7.9836 117.5537 59.9169 32.1608 178.3038 59 A 4.0187 8.0187 120.6487 55.3388 18.1314 179.6264 60 K 3.9711 7.8814 117.2122 59.7254 32.3574 178.5513 61 D 4.4464 8.4113 119.5324 57.6670 40.7454 178.4529 62 D 4.4049 8.3437 119.2321 57.7497 40.8400 178.3537 63 Y 4.1056 8.4244 119.9876 60.9657 38.8032 177.8247 64 D 4.2732 8.9299 120.0687 57.7295 40.8415 179.2702 65 R 3.9856 8.2391 117.9974 58.8806 30.0709 178.8785 66 A 4.0321 8.2748 121.1566 54.6326 18.3144 179.9360 67 V 3.3873 7.7264 117.4449 65.9787 31.3757 177.9012 68 K 3.8306 7.6863 118.2034 60.2260 32.0293 177.8775 69 E 4.0711 8.0309 119.1140 58.6491 29.1678 178.4265 70 F 4.0426 8.3779 121.6014 61.3027 40.9341 176.4300 71 E 4.1514 8.3792 116.9373 53.5295 28.5015 174.2670 72 A 4.3277 7.1880 129.5586 53.5947 24.2048 178.0846 73 N 4.7416 8.4360 112.3352 53.5228 39.2603 175.6704 74 G 4.1590 8.0146 112.3970 46.1207 0.0000 173.9973 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 S 8.33 4.53 0.00 3.98 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 3 D 8.58 4.41 0.00 2.76 2.58 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 4 K 9.04 3.04 0.00 1.39 1.51 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.10 0.61 7.81 5 P 0.00 4.30 0.00 2.05 2.01 0.00 3.19 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.03 0.00 6 K 8.49 4.19 0.00 1.74 1.71 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.45 7.81 7 R 8.26 3.33 0.00 1.62 1.61 0.00 3.34 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 8 P 0.00 4.30 0.00 2.04 1.83 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 9 L 8.02 4.20 0.00 1.63 1.58 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.31 4.49 0.00 4.10 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 11 A 8.55 4.29 1.72 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 0.00 0.00 12 Y 7.86 2.69 0.00 2.27 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 13 A 7.61 3.69 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 14 L 7.87 3.78 0.00 1.96 1.89 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 W 7.37 2.54 0.00 2.33 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 2.71 0.00 0.81 1.00 0.57 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.12 4.06 0.00 2.76 2.68 0.00 0.00 7.13 6.86 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 18 S 7.01 4.28 0.00 3.99 3.70 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 19 A 7.27 4.28 0.08 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 0.00 0.00 0.00 0.00 0.00 20 R 7.73 3.67 0.00 1.64 1.85 0.00 3.00 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 21 E 8.03 3.82 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 22 S 7.80 4.07 0.00 3.88 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 23 I 7.83 3.84 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.43 0.90 0.00 0.00 24 K 8.20 3.87 0.00 1.99 1.83 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 25 R 7.88 3.89 0.00 1.94 2.03 0.00 3.23 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 26 E 7.90 4.57 0.00 2.12 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 2.27 2.61 0.00 27 N 7.75 5.03 0.00 2.65 2.69 0.00 0.00 6.80 7.92 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 28 P 0.00 4.26 0.00 2.03 2.02 0.00 3.74 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 29 G 8.90 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 0.00 0.00 0.00 30 I 7.31 3.83 2.14 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 1.30 0.97 0.92 0.00 0.00 31 K 9.22 4.38 0.00 2.17 1.69 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.36 7.81 32 V 8.40 3.66 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 0.90 0.00 0.00 0.90 0.00 0.00 33 T 7.82 4.11 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 E 8.16 4.00 0.00 2.26 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 2.33 2.32 0.00 35 V 7.75 3.54 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 0.97 0.00 0.00 0.96 0.00 0.00 36 A 7.63 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 3.92 0.00 2.02 1.85 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.47 7.81 38 R 8.48 3.92 0.00 2.02 1.96 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 39 G 8.94 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.87 4.43 0.00 2.13 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 0.00 2.49 2.53 0.00 42 L 7.82 4.14 0.00 2.06 1.98 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 43 W 7.66 3.92 0.00 3.15 3.04 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 44 R 7.50 3.66 0.00 1.77 1.92 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 45 A 7.53 4.24 1.30 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 46 M 7.72 3.96 0.00 1.53 1.94 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 47 K 8.55 3.94 0.00 1.73 1.79 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.35 7.81 48 D 7.75 4.66 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.56 0.00 1.77 1.69 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.60 1.06 7.81 50 S 8.28 4.07 0.00 4.04 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 0.00 51 E 8.02 3.64 0.00 1.67 1.12 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 1.79 2.03 0.00 52 W 7.83 4.67 0.00 3.86 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.17 0.00 2.36 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 0.00 2.46 2.55 0.00 54 A 8.50 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 3.99 0.00 2.02 2.01 0.00 1.50 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.45 7.81 56 A 8.23 4.11 1.52 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 0.00 0.00 57 A 7.99 3.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 3.75 0.00 1.90 1.88 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 59 A 8.02 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.97 0.00 2.07 2.00 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.55 7.81 61 D 8.41 4.45 0.00 2.92 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 62 D 8.34 4.40 0.00 3.00 2.78 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 0.00 0.00 0.00 63 Y 8.42 4.11 0.00 3.09 3.19 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 64 D 8.93 4.27 0.00 2.94 2.73 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 65 R 8.24 3.99 0.00 1.96 1.97 0.00 3.29 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 66 A 8.27 4.03 1.33 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 67 V 7.73 3.39 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 0.91 0.00 0.00 0.11 0.00 0.00 68 K 7.69 3.83 0.00 1.91 2.08 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 69 E 8.03 4.07 0.00 2.08 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 2.47 0.00 70 F 8.38 4.04 0.00 2.95 3.04 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 71 E 8.38 4.15 0.00 2.15 2.15 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 2.62 2.28 0.00 72 A 7.19 4.33 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 73 N 8.44 4.74 0.00 2.77 2.80 0.00 0.00 7.15 8.36 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 74 G 8.01 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00