NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4861 8.3349 115.3039 57.8087 63.7488 173.2346 8 D 4.7385 8.4054 124.3567 52.6609 41.9550 174.5228 9 F 5.4824 9.1820 116.5010 55.3367 42.0701 173.7730 10 V 4.5543 8.9231 112.6895 59.5809 35.4990 174.7021 11 V 4.8226 8.9142 124.1090 61.3545 33.8879 174.4646 12 I 4.8329 8.6651 128.4085 59.5785 40.1644 174.3800 13 K 5.0125 9.1687 130.3368 54.3739 33.8437 175.4961 14 A 4.3727 8.8131 130.6845 52.2270 19.2226 177.3126 15 L 4.6525 8.6437 122.1703 53.6854 42.5737 176.5092 16 E 4.8062 7.6831 113.7510 55.4863 31.2528 175.9906 17 D 4.4473 8.7803 121.8330 56.0357 41.4063 176.7087 18 G 3.8755 8.7714 108.4083 45.9655 0.0000 173.9797 19 V 3.8340 7.5860 119.6569 62.6840 32.9838 174.6091 20 N 5.1300 9.2940 126.0335 51.8574 41.3531 173.6927 21 V 4.3352 8.6876 128.5677 62.2145 32.6101 174.6856 22 I 4.8401 8.8265 130.9784 59.6837 39.0980 175.2756 23 G 4.2016 8.7426 115.5728 45.2763 0.0000 172.1880 24 L 5.5092 9.2145 125.6524 52.7632 44.3108 176.2113 25 T 4.2027 8.4782 113.6816 62.4366 69.1133 173.5869 26 R 4.2447 8.2897 127.1549 54.1222 29.9641 176.8035 27 G 3.9489 8.4913 112.8908 44.7403 0.0000 172.3772 28 A 4.1470 8.2167 121.8554 54.0961 18.5762 177.5365 29 D 5.0248 7.2938 115.2568 52.7614 43.3010 175.8138 30 T 4.7934 8.2487 118.2242 61.9493 71.2027 173.4464 31 R 4.8826 8.8350 122.1507 54.6078 33.2885 174.3736 32 F 5.0808 8.9995 116.4625 57.4032 38.2686 174.5825 33 H 4.6880 8.7813 116.0903 55.9550 30.6090 173.4713 34 H 4.8406 7.8217 117.3821 55.1311 33.3176 172.1092 35 S 4.6978 8.4642 119.2941 56.6110 64.6693 172.4828 36 E 4.6521 9.2439 130.4025 54.3022 31.0755 174.7455 37 K 4.8552 8.6317 126.9021 56.1745 34.4182 176.0568 38 L 5.0059 8.8221 122.9226 53.2128 45.0689 175.4787 39 D 5.0608 9.7257 122.3184 52.1805 43.6100 175.7707 40 K 3.8088 8.7324 121.9627 59.3660 32.0826 176.6732 41 G 4.0788 8.6711 115.2789 45.1960 0.0000 173.3323 42 E 4.2421 8.3433 119.8416 56.1946 30.9565 176.0230 43 V 4.8278 8.3103 122.6618 61.2239 33.6032 174.2463 44 L 4.5741 8.7043 130.6463 53.6264 44.0028 175.1065 45 I 4.9236 8.5034 127.2138 59.8023 38.0171 174.4723 46 A 4.8146 8.8846 128.7363 50.0408 22.2862 175.1604 47 Q 4.9592 8.5221 118.9395 54.6789 31.0613 175.2503 48 F 4.8322 8.8879 120.1888 57.4954 39.1775 176.0360 49 T 4.6254 8.6452 110.3961 60.8611 71.1795 173.8996 50 E 4.1298 8.8413 117.9732 59.0132 30.0817 177.0004 51 H 4.5827 7.7576 113.9583 55.9291 30.5162 173.9351 52 T 5.4792 8.9792 117.0086 61.1105 70.6949 174.7934 53 S 4.9468 9.0323 120.1061 58.2373 65.3944 173.4987 54 A 4.9713 8.0130 122.1816 50.9816 22.5686 174.8604 55 I 4.9056 8.7596 122.6256 59.2881 39.9017 174.8682 56 K 4.5816 9.3718 128.3427 54.4637 34.9396 174.7130 57 V 4.7539 8.4561 126.7247 61.3509 33.7119 174.4510 58 R 4.3887 8.8555 128.3328 55.9357 31.9536 176.8550 59 G 3.8595 8.9929 108.9018 44.2979 0.0000 172.1006 60 K 4.6905 8.5341 119.9099 55.2168 33.1372 175.3172 61 A 5.1330 8.7477 128.1264 50.7111 23.6218 173.6676 62 Y 4.8020 9.1671 121.2429 56.0491 40.8191 174.4987 63 I 5.0127 8.2622 128.0749 59.5263 40.4993 174.5195 64 Q 5.0349 8.9946 126.3186 54.3090 31.4626 174.9298 65 T 4.6701 8.8315 113.5160 59.4013 72.5494 174.7294 66 R 3.6179 8.6076 121.3036 60.0704 29.7839 176.6162 67 H 4.6023 7.5744 111.1874 55.7754 29.0169 173.8091 68 G 3.7569 7.9933 107.0811 44.1577 0.0000 173.2072 69 V 4.7053 7.9767 112.1364 60.1117 33.8051 175.5666 70 I 4.4103 8.2550 122.4656 59.9450 41.9538 172.9370 71 E 5.1266 8.6008 128.0689 54.7477 31.0860 175.8669 72 S 4.5337 9.1887 120.4828 57.8180 65.1172 174.5631 73 E 4.2483 8.4054 120.1024 56.7880 30.3286 175.5364 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 7 S 8.33 4.49 0.00 3.91 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 8 D 8.41 4.74 0.00 2.90 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 9 F 9.18 5.48 0.00 3.05 2.95 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 10 V 8.92 4.55 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 0.90 0.00 0.00 11 V 8.91 4.82 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 1.14 0.00 0.00 1.15 0.00 0.00 12 I 8.67 4.83 1.98 0.00 0.00 0.84 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 0.90 0.92 0.00 0.00 13 K 9.17 5.01 0.00 1.91 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.81 4.37 1.27 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 0.00 0.00 0.00 15 L 8.64 4.65 0.00 1.60 1.71 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.81 0.00 2.02 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 2.04 2.17 0.00 17 D 8.78 4.45 0.00 2.68 2.66 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 0.00 0.00 0.00 18 G 8.77 3.88 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 0.00 0.00 0.00 19 V 7.59 3.83 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 1.01 0.00 0.00 1.05 0.00 0.00 20 N 9.29 5.13 0.00 2.70 2.59 0.00 0.00 6.73 7.57 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 21 V 8.69 4.34 2.18 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 0.90 0.00 0.00 0.93 0.00 0.00 22 I 8.83 4.84 1.96 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.76 0.95 0.00 0.00 23 G 8.74 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 0.00 0.00 0.00 0.00 24 L 9.21 5.51 0.00 1.70 1.66 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.48 4.20 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 1.32 0.00 0.00 26 R 8.29 4.24 0.00 1.88 2.01 0.00 3.30 0.00 0.00 3.07 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 27 G 8.49 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 0.00 0.00 0.00 28 A 8.22 4.15 1.29 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 0.00 0.00 0.00 29 D 7.29 5.02 0.00 2.84 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 30 T 8.25 4.79 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 1.26 0.00 0.00 31 R 8.84 4.88 0.00 1.89 2.02 0.00 2.77 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 32 F 9.00 5.08 0.00 3.07 3.07 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 33 H 8.78 4.69 0.00 3.07 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.82 4.84 0.00 3.27 3.02 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.46 4.70 0.00 3.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.24 4.65 0.00 2.25 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 37 K 8.63 4.86 0.00 1.78 1.77 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.46 7.81 38 L 8.82 5.01 0.00 1.58 1.58 0.93 1.26 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 39 D 9.73 5.06 0.00 2.55 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 40 K 8.73 3.81 0.00 1.72 1.98 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 41 G 8.67 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 42 E 8.34 4.24 0.00 1.98 1.88 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 2.33 2.43 0.00 43 V 8.31 4.83 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 0.85 0.00 0.00 0.96 0.00 0.00 44 L 8.70 4.57 0.00 1.83 1.51 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 4.92 1.82 0.00 0.00 0.84 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 0.77 0.84 0.00 0.00 46 A 8.88 4.81 1.14 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 0.00 0.00 47 Q 8.52 4.96 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 48 F 8.89 4.83 0.00 2.95 3.09 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 49 T 8.65 4.63 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 1.30 0.00 0.00 50 E 8.84 4.13 0.00 1.99 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 0.00 2.17 2.22 0.00 51 H 7.76 4.58 0.00 3.21 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.98 5.48 4.34 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 1.29 0.00 0.00 53 S 9.03 4.95 0.00 3.89 4.13 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 0.00 0.00 0.00 0.00 54 A 8.01 4.97 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 55 I 8.76 4.91 1.89 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.88 0.00 0.00 56 K 9.37 4.58 0.00 1.78 1.63 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.34 7.81 57 V 8.46 4.75 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 0.88 0.00 0.00 0.92 0.00 0.00 58 R 8.86 4.39 0.00 1.74 1.78 0.00 3.08 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 59 G 8.99 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.53 4.69 0.00 1.85 2.00 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.46 7.81 61 A 8.75 5.13 1.25 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 62 Y 9.17 4.80 0.00 3.08 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 5.01 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.87 0.00 0.00 64 Q 8.99 5.03 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 65 T 8.83 4.67 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 1.15 0.00 0.00 66 R 8.61 3.62 0.00 1.62 1.85 0.00 3.21 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 67 H 7.57 4.60 0.00 3.21 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.99 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 69 V 7.98 4.71 1.74 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 0.70 0.00 0.00 0.90 0.00 0.00 70 I 8.25 4.41 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.19 0.82 0.00 0.00 71 E 8.60 5.13 0.00 1.88 1.88 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 2.30 2.35 0.00 72 S 9.19 4.53 0.00 3.92 3.97 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 0.00 0.00 0.00 73 E 8.41 4.25 0.00 1.92 1.82 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 2.21 2.28 0.00