NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2218 8.1849 120.7615 53.6301 43.3147 177.2279 5 F 4.7178 8.0706 113.2706 55.8327 39.3939 174.9155 6 S 4.3520 8.9212 118.8170 60.4136 64.7724 174.6095 7 S 4.8066 7.7679 115.3433 56.3372 62.6535 172.0500 8 P 4.6889 0.0000 0.0000 61.9588 33.0415 176.4989 9 D 4.5021 8.8085 122.9735 57.2732 41.2205 176.4008 10 H 5.0827 8.6934 114.5276 54.1257 32.7200 172.7856 11 T 5.0205 8.4319 114.5758 60.6572 70.7896 173.6721 12 L 4.2309 8.5283 127.0561 54.2327 44.9455 174.2210 13 D 4.8111 8.8632 127.8238 53.3947 41.2334 175.0067 14 A 4.6505 8.8940 128.8790 51.5259 19.4002 176.3082 15 L 4.4059 7.6840 118.9588 57.3772 41.8921 177.9191 16 G 3.9985 9.3658 112.8835 45.2032 0.0000 173.8071 17 L 4.3423 7.2920 119.0185 54.2977 42.5756 176.5129 18 R 4.7983 8.0814 118.7547 53.9456 33.4649 174.5768 19 C 3.8417 8.8633 121.2796 59.5896 32.1999 171.8745 20 P 4.7160 0.0000 0.0000 62.9660 31.5942 177.2765 21 E 3.8978 8.6277 121.1323 59.3008 29.3280 176.9742 22 P 4.1737 0.0000 0.0000 66.4470 30.8993 178.4108 23 V 3.3953 7.6594 117.7086 65.2259 31.4530 177.5657 24 M 3.9840 7.7829 118.3923 58.8721 31.8863 178.7253 25 M 4.0811 8.2433 118.7975 58.0400 31.9879 179.1509 26 V 3.3816 7.4646 118.6099 65.8123 31.4368 177.9948 27 R 3.9313 7.5770 116.7881 59.3504 30.3116 178.6027 28 K 4.0852 7.7712 118.4538 59.8861 31.9684 179.0022 29 T 3.8478 7.9154 115.9995 66.6559 68.1619 176.9550 30 V 3.5003 8.2357 120.3263 65.5396 31.2188 178.1423 31 R 4.0056 7.5647 117.7560 58.9968 29.9870 176.6139 32 N 4.8575 7.4149 113.6095 53.5047 38.8244 174.5126 33 M 4.6998 7.2160 117.5101 53.5557 34.1992 176.2529 34 Q 4.1465 9.1514 121.8664 54.7686 29.5719 173.9524 35 P 4.4860 0.0000 0.0000 66.2137 31.1351 175.0405 36 G 3.7193 8.4385 115.2483 45.7573 0.0000 173.4854 37 E 4.5980 8.4263 120.2293 56.6089 30.9207 176.1764 38 T 5.1901 9.2073 111.4332 59.9640 72.4571 172.7695 39 L 5.1772 8.7457 124.5149 53.3398 45.6275 174.8287 40 L 4.9071 9.2342 129.4478 54.3546 43.4706 175.0768 41 I 4.9234 9.0011 128.8011 59.9337 39.2642 174.7794 42 I 5.0166 8.5158 128.3963 59.7733 39.0781 174.8788 43 A 5.0639 8.7663 127.1622 50.6171 23.0548 175.9012 44 D 4.3469 8.5225 116.3650 52.5567 40.5762 175.1055 45 D 4.6353 8.1522 120.6427 53.3057 41.5713 174.7981 46 P 4.4890 0.0000 0.0000 65.9825 31.3296 178.3046 47 A 4.1377 8.1133 118.8356 54.8114 18.2864 179.4076 48 T 4.0447 8.1810 109.0105 64.7406 68.4981 176.7589 49 T 4.0781 7.4747 113.1550 63.6444 68.9694 175.9390 50 R 4.3235 7.7106 119.7297 58.4294 30.9628 178.2960 51 D 4.4125 8.4690 118.9760 57.2489 40.8772 179.0282 52 I 3.6685 7.6271 120.6932 63.7449 37.0726 176.7465 53 P 4.4849 0.0000 0.0000 65.5971 31.1778 178.6946 54 G 3.7321 8.1396 105.6992 47.7302 0.0000 175.4292 55 F 4.2808 8.5806 123.3535 61.3323 39.2454 177.0782 56 C 4.0703 8.0738 116.0139 62.7458 27.7294 176.2374 57 T 3.6828 7.8537 116.5700 66.6873 68.2329 176.5875 58 F 4.4377 8.0880 117.0457 58.8909 39.1702 176.4121 59 M 4.3843 7.2646 116.7374 54.1688 32.3266 175.5639 60 E 3.6786 7.9600 116.2058 58.2969 26.8668 173.4025 61 H 4.8009 8.2714 116.1387 54.5229 32.4450 174.2875 62 E 4.6130 8.1527 118.3136 54.7789 32.0438 175.6275 63 L 4.5171 8.5840 128.1739 53.5499 41.7784 176.7130 64 V 3.8423 8.9890 127.4539 65.3149 31.9464 176.1089 65 A 4.6956 7.7385 120.2717 50.6211 22.3029 174.8688 66 K 5.0004 8.7353 121.1065 55.3186 36.3005 175.9379 67 E 4.4964 8.4364 122.2551 55.3356 31.9386 174.7703 68 T 4.6997 8.3474 115.1136 61.4720 69.6705 173.5351 69 D 4.7714 8.4917 120.1718 52.9609 40.8825 176.4364 70 G 4.0753 7.2864 107.9674 45.4896 0.0000 171.7913 71 L 4.3201 7.7067 119.2424 52.0907 43.4786 175.0139 72 P 4.4196 0.0000 0.0000 61.8816 33.2205 175.0886 73 Y 4.7533 8.5614 118.3753 58.2809 39.6599 175.2969 74 R 5.0350 8.2094 119.0374 55.0701 34.7389 173.8916 75 Y 5.2408 9.2100 121.2644 56.1065 41.7784 174.1978 76 L 5.0749 9.4473 127.1266 53.7763 43.9896 175.0487 77 I 5.0718 8.5854 129.4265 60.2470 40.6912 175.7256 78 R 5.1013 8.8045 127.3368 55.2371 32.7975 176.2730 79 K 4.1075 9.0950 128.9580 54.9417 32.8371 173.9774 80 G 3.6368 8.4532 113.6270 44.6796 0.0000 172.9877 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 4 L 8.18 4.22 0.00 1.68 1.66 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.07 4.72 0.00 3.11 3.02 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 6 S 8.92 4.35 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 7 S 7.77 4.81 0.00 3.84 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 8 P 0.00 4.69 0.00 2.39 2.13 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 9 D 8.81 4.50 0.00 2.78 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 10 H 8.69 5.08 0.00 3.06 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.43 5.02 4.27 0.00 0.00 0.00 0.00 0.00 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 12 L 8.53 4.23 0.00 1.79 1.50 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.86 4.81 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.89 4.65 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 15 L 7.68 4.41 0.00 1.77 1.60 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.37 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.29 4.34 0.00 1.83 1.60 0.91 0.77 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 18 R 8.08 4.80 0.00 1.84 1.77 0.00 3.38 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 19 C 8.86 3.84 0.00 3.02 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 20 P 0.00 4.72 0.00 2.23 2.23 0.00 3.75 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 1.96 0.00 21 E 8.63 3.90 0.00 2.14 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 0.00 2.32 2.31 0.00 22 P 0.00 4.17 0.00 2.20 2.33 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 23 V 7.66 3.40 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 1.09 0.00 0.00 0.84 0.00 0.00 24 M 7.78 3.98 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 25 M 8.24 4.08 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.78 0.00 26 V 7.46 3.38 1.67 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 0.22 0.00 0.00 0.73 0.00 0.00 27 R 7.58 3.93 0.00 1.96 2.04 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 28 K 7.77 4.09 0.00 1.80 1.91 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 29 T 7.92 3.85 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 1.18 0.00 0.00 30 V 8.24 3.50 2.28 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 1.14 0.00 0.00 1.00 0.00 0.00 31 R 7.56 4.01 0.00 2.11 2.05 0.00 3.32 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 32 N 7.41 4.86 0.00 2.80 2.80 0.00 0.00 6.99 7.54 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 33 M 7.22 4.70 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.31 0.00 34 Q 9.15 4.15 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.96 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 35 P 0.00 4.49 0.00 2.04 2.20 0.00 3.68 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 2.03 2.10 0.00 36 G 8.44 3.72 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 0.00 37 E 8.43 4.60 0.00 2.15 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 2.37 2.31 0.00 38 T 9.21 5.19 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 39 L 8.75 5.18 0.00 1.82 1.57 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.23 4.91 0.00 1.90 1.62 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.00 4.92 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 1.00 0.00 0.00 42 I 8.52 5.02 1.87 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 1.33 1.05 0.87 0.00 0.00 43 A 8.77 5.06 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.52 4.35 0.00 2.57 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 45 D 8.15 4.64 0.00 3.08 2.69 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 46 P 0.00 4.49 0.00 2.27 2.22 0.00 3.73 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 47 A 8.11 4.14 1.47 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 48 T 8.18 4.04 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 1.23 0.00 0.00 49 T 7.47 4.08 4.17 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 0.84 0.00 0.00 50 R 7.71 4.32 0.00 1.98 2.01 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 51 D 8.47 4.41 0.00 2.61 2.69 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 52 I 7.63 3.67 1.26 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.65 0.00 0.00 53 P 0.00 4.48 0.00 2.29 2.36 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 54 G 8.14 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 55 F 8.58 4.28 0.00 3.16 3.28 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 56 C 8.07 4.07 0.00 3.25 3.18 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 57 T 7.85 3.68 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 58 F 8.09 4.44 0.00 3.09 3.05 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 59 M 7.26 4.38 0.00 1.58 1.47 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 60 E 7.96 3.68 0.00 2.00 1.93 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 2.17 2.21 0.00 61 H 8.27 4.80 0.00 2.87 3.20 0.00 5.81 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.15 4.61 0.00 1.77 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 2.14 2.09 0.00 63 L 8.58 4.52 0.00 1.70 1.69 1.14 1.11 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 64 V 8.99 3.84 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 0.68 0.00 0.00 0.93 0.00 0.00 65 A 7.74 4.70 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 5.00 0.00 1.68 1.95 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.34 1.40 7.81 67 E 8.44 4.50 0.00 2.10 1.68 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 2.19 2.30 0.00 68 T 8.35 4.70 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 0.93 0.00 0.00 69 D 8.49 4.77 0.00 2.71 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 70 G 7.29 4.08 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 0.00 71 L 7.71 4.32 0.00 1.49 1.37 0.81 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.42 0.00 1.97 1.93 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 73 Y 8.56 4.75 0.00 3.05 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 74 R 8.21 5.04 0.00 1.25 1.15 0.00 2.79 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.39 0.00 75 Y 9.21 5.24 0.00 2.93 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 76 L 9.45 5.07 0.00 1.74 1.45 1.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.59 5.07 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 1.11 0.00 0.00 78 R 8.80 5.10 0.00 1.46 1.77 0.00 3.29 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 79 K 9.09 4.11 0.00 1.43 1.78 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.38 1.30 7.81 80 G 8.45 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00