NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 3.9929 8.0544 120.3926 62.1699 32.9195 174.8222 10 N 4.1577 8.6032 125.4956 53.3866 39.0264 170.4749 11 V 3.8234 9.3450 119.8973 63.2388 32.5667 175.9541 12 Q 4.6440 8.3673 117.2991 55.6055 30.1969 176.3871 13 R 4.6152 8.3106 118.1092 52.8314 30.7677 173.9321 14 P 4.3274 0.0000 0.0000 64.9721 31.7256 177.3248 15 L 4.1153 7.8613 116.4641 56.4284 41.6361 178.3952 16 D 4.4754 8.1919 119.2683 56.7176 40.4325 178.2337 17 A 3.9608 7.8219 121.1843 54.7832 18.4708 179.4601 18 L 3.8720 7.7924 117.8767 57.7742 41.4840 179.5201 19 G 3.9985 8.0798 105.1677 48.3261 0.0000 175.0564 20 N 4.5830 8.3409 117.1278 54.9156 38.7360 176.0561 21 S 4.6760 7.8954 115.9462 57.8168 63.4758 173.4674 22 L 4.2327 7.4746 121.5017 56.7186 41.3511 176.9438 23 N 4.5462 9.4246 120.8045 53.6376 36.6229 174.0845 24 S 4.9554 7.8040 113.8206 55.8042 66.6324 171.8973 25 P 4.9033 0.0000 0.0000 62.9997 32.0369 176.0957 26 V 4.7691 9.0281 116.2242 59.7676 36.9408 174.2115 27 I 4.9925 8.7197 122.2333 59.7455 40.1697 174.8486 28 I 4.7778 9.3205 128.4998 59.3614 39.7734 174.3481 29 K 4.6972 8.7316 129.0429 54.6131 33.6708 175.3780 30 L 5.0978 8.7297 127.3330 52.6280 44.8175 176.0707 31 K 3.8851 8.4915 119.9838 57.2975 32.6580 177.8135 32 G 3.8014 9.0167 109.4920 46.0433 0.0000 173.3088 33 D 4.3250 7.5354 115.8065 55.2570 38.6469 173.7025 34 R 4.5918 7.6195 117.7141 55.0021 33.2132 174.4093 35 E 5.1578 7.9749 122.8656 54.6596 33.4548 173.8000 36 F 5.3736 9.6386 124.3204 55.7444 43.4543 174.0257 37 R 5.0670 8.5516 120.3277 54.5650 33.6456 175.3604 38 G 4.0851 8.1890 108.2336 46.2808 0.0000 171.5104 39 V 4.6414 8.0565 120.4261 61.4239 33.1067 175.1724 40 L 4.5538 8.6512 130.9887 55.3233 42.3271 177.0721 41 K 4.6663 8.8852 126.1693 57.3912 34.3306 176.3210 42 S 4.8138 7.8131 112.2568 58.2608 65.4452 175.3972 43 F 5.3653 8.0858 113.5193 56.4675 40.2082 172.6394 44 D 4.9584 8.6129 120.0977 51.0215 41.9499 176.4874 45 L 4.0929 8.2703 117.9247 58.4813 40.5517 177.3758 46 H 4.4618 8.4021 116.1461 56.1914 28.9566 176.2230 47 M 3.4363 8.4602 118.3987 55.7728 30.0788 176.4688 48 N 4.9137 8.0923 116.9580 53.8028 39.8537 173.8989 49 L 5.1561 8.9103 121.5701 54.6856 44.8538 174.3238 50 V 4.8574 8.9907 120.0277 61.1637 34.3082 174.2819 51 L 5.3076 8.7906 126.9924 53.1748 44.9063 175.2639 52 N 5.1634 9.1234 119.0573 51.3835 42.0404 174.0822 53 D 4.4342 8.6271 116.9554 55.3311 38.8654 174.2369 54 A 4.6146 7.7418 118.8579 52.1696 20.2241 177.7282 55 E 5.1180 9.3855 119.0765 54.5972 34.2939 174.2440 56 E 4.5746 9.3036 124.3426 54.5335 31.7933 174.8687 57 L 5.5380 7.6414 125.5082 52.4060 45.7855 175.7688 58 E 4.2610 8.6281 116.2454 56.8966 31.5098 174.7804 59 D 4.4030 9.8977 125.2062 55.2814 38.2801 174.9390 60 G 3.9818 8.5800 106.4902 45.1045 0.0000 173.6074 61 E 4.6857 7.7301 118.7144 53.9919 32.0676 175.5393 62 V 4.1766 8.1929 122.0122 63.2185 32.1074 175.7470 63 T 4.6140 8.6208 115.5621 61.1244 70.2506 173.8488 64 R 4.4070 7.5756 120.1331 55.8453 33.6179 173.0214 65 R 5.0855 8.7734 125.5875 54.7142 32.1375 175.6527 66 L 4.8582 9.0033 123.3298 53.0621 45.4639 177.7671 67 G 3.8787 8.8628 110.3448 46.7558 0.0000 173.7817 68 T 4.5512 7.2627 112.2026 62.8155 72.4314 173.0851 69 V 4.4756 8.4846 125.5281 59.8940 35.3273 173.7347 70 L 4.9374 8.5106 125.2921 53.6129 43.6664 175.1220 71 I 4.3670 8.4896 127.8122 59.3109 39.7440 175.5204 72 R 4.5022 8.5304 126.6813 55.6715 30.7967 177.9545 73 G 3.8771 9.2515 112.0469 48.0153 0.0000 175.0522 74 D 4.3791 8.1015 118.0615 56.4424 41.5137 176.1904 75 N 4.7382 7.9322 114.6596 53.3019 39.2218 174.7093 76 I 4.3589 7.7492 121.0686 61.2299 37.8812 175.6441 77 V 4.1508 8.7377 126.6647 64.8662 31.8737 175.2448 78 Y 5.0530 7.1628 116.0506 55.7581 41.9212 172.8006 79 I 5.0628 8.4590 119.5889 59.6384 40.7815 175.1770 80 S 4.7173 9.5050 122.6745 55.7741 63.8893 172.2996 81 P 4.4350 0.0000 0.0000 62.9273 31.3574 176.2769 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 9 V 8.05 3.99 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 0.98 0.00 0.00 0.92 0.00 0.00 10 N 8.60 4.16 0.00 2.85 2.70 0.00 0.00 7.21 6.83 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 11 V 9.34 3.82 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 8.37 4.64 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.12 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 13 R 8.31 4.62 0.00 1.85 1.94 0.00 3.31 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 14 P 0.00 4.33 0.00 2.15 2.09 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 15 L 7.86 4.12 0.00 1.79 1.82 0.94 1.24 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 16 D 8.19 4.48 0.00 2.89 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 17 A 7.82 3.96 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 18 L 7.79 3.87 0.00 0.69 0.13 0.34 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.08 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 20 N 8.34 4.58 0.00 2.86 2.90 0.00 0.00 6.92 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 21 S 7.90 4.68 0.00 3.79 3.81 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 0.00 0.00 0.00 22 L 7.47 4.23 0.00 1.66 1.71 1.06 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.42 4.55 0.00 2.86 3.02 0.00 0.00 6.89 7.39 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 24 S 7.80 4.96 0.00 3.94 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 25 P 0.00 4.90 0.00 1.95 2.00 0.00 3.63 0.00 0.00 3.67 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 26 V 9.03 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 0.88 0.00 0.00 0.98 0.00 0.00 27 I 8.72 4.99 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.98 0.00 0.00 28 I 9.32 4.78 1.95 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 1.15 0.90 0.88 0.00 0.00 29 K 8.73 4.70 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.91 1.15 7.81 30 L 8.73 5.10 0.00 1.63 1.66 1.07 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.49 3.89 0.00 1.66 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.57 7.81 32 G 9.02 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.54 4.33 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.62 4.59 0.00 1.91 1.87 0.00 3.24 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 35 E 7.97 5.16 0.00 1.93 1.55 0.00 0.00 0.00 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 2.42 0.00 36 F 9.64 5.37 0.00 2.84 2.90 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 37 R 8.55 5.07 0.00 1.76 1.81 0.00 3.18 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 38 G 8.19 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 0.00 0.00 0.00 39 V 8.06 4.64 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 0.87 0.00 0.00 0.95 0.00 0.00 40 L 8.65 4.55 0.00 1.85 1.72 1.02 0.51 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 41 K 8.89 4.67 0.00 1.76 1.84 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.62 7.81 42 S 7.81 4.81 0.00 3.77 3.90 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 43 F 8.09 5.37 0.00 3.08 3.01 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 0.00 0.00 0.00 0.00 44 D 8.61 4.96 0.00 2.86 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 45 L 8.27 4.09 0.00 1.77 1.82 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.40 4.46 0.00 3.38 3.38 0.00 5.71 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 47 M 8.46 3.44 0.00 2.19 2.24 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 2.55 2.51 0.00 48 N 8.09 4.91 0.00 2.96 2.76 0.00 0.00 6.55 6.74 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 49 L 8.91 5.16 0.00 1.92 1.82 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.99 4.86 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 0.93 0.00 0.00 0.93 0.00 0.00 51 L 8.79 5.31 0.00 1.59 1.53 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.12 5.16 0.00 2.66 2.70 0.00 0.00 7.25 8.12 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 53 D 8.63 4.43 0.00 2.78 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 54 A 7.74 4.61 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.39 5.12 0.00 1.88 1.79 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 2.23 2.25 0.00 56 E 9.30 4.57 0.00 1.85 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 57 L 7.64 5.54 0.00 1.42 1.56 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.63 4.26 0.00 1.86 1.70 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 2.19 2.22 0.00 59 D 9.90 4.40 0.00 2.85 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 60 G 8.58 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 0.00 0.00 0.00 61 E 7.73 4.69 0.00 2.02 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 2.19 0.00 62 V 8.19 4.18 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 0.83 0.00 0.00 0.95 0.00 0.00 63 T 8.62 4.61 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 1.22 0.00 0.00 64 R 7.58 4.41 0.00 1.84 1.75 0.00 3.19 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 65 R 8.77 5.09 0.00 1.73 1.85 0.00 3.38 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 66 L 9.00 4.86 0.00 1.58 1.53 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.86 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 68 T 7.26 4.55 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 69 V 8.48 4.48 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 0.59 0.00 0.00 0.78 0.00 0.00 70 L 8.51 4.94 0.00 1.61 1.56 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.49 4.37 1.74 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.35 0.75 0.00 0.00 72 R 8.53 4.50 0.00 1.84 1.84 0.00 3.11 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 73 G 9.25 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 74 D 8.10 4.38 0.00 2.63 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 75 N 7.93 4.74 0.00 2.81 2.82 0.00 0.00 6.85 8.15 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 76 I 7.75 4.36 1.99 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 1.15 0.53 0.89 0.00 0.00 77 V 8.74 4.15 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 0.96 0.00 0.00 78 Y 7.16 5.05 0.00 3.03 2.99 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 79 I 8.46 5.06 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.90 0.00 0.00 80 S 9.51 4.72 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.44 0.00 2.19 1.97 0.00 3.85 0.00 0.00 3.85 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