NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.0825 8.0549 114.0569 61.3785 31.8355 173.3994 12 Q 4.2514 8.1048 122.3452 53.6854 29.7371 175.1655 13 R 4.2594 9.4693 122.8852 55.2536 32.3633 175.8490 14 P 4.1335 0.0000 0.0000 66.0536 31.2645 178.4451 15 L 4.0919 7.8995 115.5843 55.9591 41.6136 178.6116 16 D 4.4651 8.4031 120.4346 57.0365 40.9030 178.3305 17 A 4.1428 7.3819 119.3581 54.7393 18.4174 179.1808 18 L 4.0536 7.7302 118.9360 58.0972 42.3351 178.8147 19 G 3.9812 7.9275 105.6562 48.0899 0.0000 174.5691 20 N 4.7379 8.2457 115.1341 54.0678 38.7207 175.6600 21 S 4.6623 8.1647 116.5820 57.7701 64.0706 173.7885 22 L 4.1606 7.6110 121.6774 56.7316 41.4174 176.9320 23 N 4.5585 9.4997 120.7239 53.3585 36.7734 174.0829 24 S 5.0611 8.1162 114.8250 55.7286 66.5775 171.8732 25 P 4.9731 0.0000 0.0000 63.2397 32.7365 175.4835 26 V 5.1908 9.0419 114.6130 60.0207 37.1857 174.1075 27 I 4.9890 9.1268 121.8001 59.8890 40.3550 174.8942 28 I 4.7810 8.7129 128.3662 59.3630 39.6509 174.5365 29 K 4.5801 8.5990 128.7921 54.6072 33.9620 175.4842 30 L 4.9254 8.6216 127.7736 53.0400 44.1871 176.4267 31 K 4.0019 8.4991 120.8975 58.0112 32.6479 177.9806 32 G 3.8892 8.8347 110.7724 44.7827 0.0000 174.0494 33 D 4.3221 7.6978 117.1002 54.5459 39.3590 173.9397 34 R 4.1239 7.4004 119.9484 56.3092 31.4110 174.9411 35 E 5.2320 8.4725 124.8502 54.5813 33.4746 174.2834 36 F 5.3651 9.1751 122.1285 56.0965 44.0074 173.8630 37 R 5.4729 8.9735 118.7061 53.0748 34.7967 174.8717 38 G 4.4028 8.1281 109.6822 46.2431 0.0000 171.2552 39 V 4.5129 7.9208 120.8362 61.7504 32.8871 174.9339 40 L 4.4115 8.7712 131.1772 55.5794 42.3184 177.0256 41 K 4.5481 9.1309 126.4597 57.9552 34.1458 176.4338 42 S 4.6643 7.6411 112.0303 57.8266 66.0688 173.5905 43 F 5.9648 8.0287 113.1925 57.4091 40.2286 172.4218 44 D 5.1286 8.4663 118.9792 51.0099 42.2163 176.5388 45 L 4.2363 8.5293 118.0400 58.1996 41.5427 178.2059 46 H 4.4716 8.3021 113.4711 55.9907 29.0053 176.0753 47 M 3.3938 8.6228 118.5658 55.6732 30.0299 176.3663 48 N 4.8871 8.5524 118.1288 53.5673 39.6614 174.2016 49 L 5.2813 9.2641 122.9237 54.3296 45.0828 174.8830 50 V 4.9740 8.6905 119.0116 61.1040 34.4682 174.1507 51 L 5.3645 9.0850 127.1841 53.1079 45.1293 175.2130 52 N 5.1310 9.0229 119.9417 51.8791 41.6992 174.4217 53 D 4.4842 8.7217 118.2232 55.3657 38.7310 174.2052 54 A 4.6633 8.2316 119.9957 52.4114 20.1607 177.7126 55 E 5.1414 9.2406 119.3250 55.0082 34.3577 174.3014 56 E 4.0566 9.0345 125.7306 55.1482 31.2710 174.9249 57 L 5.0205 8.3149 125.3820 53.0324 45.0253 176.3964 58 E 4.2283 8.8435 122.5789 54.9438 30.2152 174.6111 59 D 4.4481 9.4464 127.4321 54.9116 39.4941 173.6609 60 G 3.8609 8.0417 101.4146 46.0624 0.0000 171.5785 61 E 4.4449 7.8099 119.8282 53.3838 31.8089 175.1825 62 V 3.9099 8.5602 126.1520 64.0960 31.7942 174.9979 63 T 4.4903 8.3240 121.1799 62.5335 69.6124 174.1244 64 R 4.4835 7.5815 118.8145 55.4415 33.6542 173.4017 65 R 4.9201 8.7221 125.4621 55.1363 30.9308 176.0244 66 L 4.4494 8.8477 123.8584 52.5532 43.2900 178.4999 67 G 3.8487 8.2075 108.6877 47.0883 0.0000 175.9664 68 T 5.0395 8.6656 121.5840 62.2668 69.3090 173.2270 69 V 4.4727 9.0062 125.6713 59.8861 35.3286 173.9279 70 L 4.9612 8.5622 125.6121 53.7738 43.4042 175.2949 71 I 4.2685 8.9455 129.4357 59.2526 39.2455 175.8818 72 R 4.2054 8.5511 127.3342 55.9064 30.7243 177.8745 73 G 3.8940 8.8949 111.7584 47.9625 0.0000 174.6679 74 D 4.5340 8.1723 118.2308 56.9644 41.2306 176.6767 75 N 4.6544 7.9774 114.1203 53.5185 39.1127 174.9727 76 I 4.1594 7.8073 120.3934 61.1321 38.0590 175.0328 77 V 4.3402 8.7584 123.8954 64.2563 32.6231 175.0892 78 Y 5.0636 7.1523 116.1638 55.7191 41.8310 172.9773 79 I 5.3014 8.5188 120.0523 59.6795 40.6500 175.0428 80 S 4.9047 9.3816 120.6834 56.1120 66.7058 173.7184 81 R 4.2949 8.7095 119.5359 56.5443 30.7254 176.4153 82 G 4.1076 8.6154 109.6264 44.6552 0.0000 173.9938 83 K 4.3056 8.3897 117.9719 56.4692 32.3502 176.9613 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 11 V 8.05 4.08 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 0.90 0.00 0.00 0.93 0.00 0.00 12 Q 8.10 4.25 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 13 R 9.47 4.26 0.00 1.85 1.86 0.00 3.33 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 14 P 0.00 4.13 0.00 2.16 2.07 0.00 3.59 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 2.11 2.15 0.00 15 L 7.90 4.09 0.00 1.76 1.81 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.40 4.47 0.00 2.81 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 17 A 7.38 4.14 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 18 L 7.73 4.05 0.00 1.41 1.23 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.93 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 20 N 8.25 4.74 0.00 2.74 2.89 0.00 0.00 6.90 7.17 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 21 S 8.16 4.66 0.00 4.03 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 22 L 7.61 4.16 0.00 1.78 1.67 0.91 1.10 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 23 N 9.50 4.56 0.00 2.86 3.05 0.00 0.00 6.91 7.56 0.00 0.00 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 8.12 5.06 0.00 3.85 3.75 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 25 P 0.00 4.97 0.00 2.14 2.19 0.00 3.65 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 2.09 2.01 0.00 26 V 9.04 5.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.02 0.00 0.00 27 I 9.13 4.99 1.99 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 1.28 0.78 1.02 0.00 0.00 28 I 8.71 4.78 1.92 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 0.99 0.84 0.00 0.00 29 K 8.60 4.58 0.00 0.94 0.74 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.63 1.04 7.81 30 L 8.62 4.93 0.00 1.68 1.65 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.50 4.00 0.00 1.73 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.53 7.81 32 G 8.83 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 33 D 7.70 4.32 0.00 2.80 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 34 R 7.40 4.12 0.00 2.06 1.90 0.00 3.37 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.37 0.00 35 E 8.47 5.23 0.00 1.99 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 2.26 2.28 0.00 36 F 9.18 5.37 0.00 2.96 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 37 R 8.97 5.47 0.00 1.70 1.78 0.00 3.45 0.00 0.00 3.31 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 38 G 8.13 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 0.00 0.00 0.00 0.00 39 V 7.92 4.51 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 0.97 0.00 0.00 0.95 0.00 0.00 40 L 8.77 4.41 0.00 1.89 1.74 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.13 4.55 0.00 1.63 1.83 0.00 1.97 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.52 7.81 42 S 7.64 4.66 0.00 3.76 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 43 F 8.03 5.96 0.00 3.00 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 44 D 8.47 5.13 0.00 2.88 2.85 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 45 L 8.53 4.24 0.00 1.53 1.70 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.30 4.47 0.00 3.35 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.62 3.39 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 48 N 8.55 4.89 0.00 3.00 2.77 0.00 0.00 6.51 6.37 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 49 L 9.26 5.28 0.00 1.87 1.81 0.89 0.47 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 50 V 8.69 4.97 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 0.98 0.00 0.00 0.93 0.00 0.00 51 L 9.08 5.36 0.00 1.57 1.53 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.02 5.13 0.00 2.67 2.71 0.00 0.00 6.87 8.53 0.00 0.00 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 8.72 4.48 0.00 2.84 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 54 A 8.23 4.66 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 55 E 9.24 5.14 0.00 1.88 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 2.24 2.43 0.00 56 E 9.03 4.06 0.00 1.61 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 1.74 1.47 0.00 57 L 8.31 5.02 0.00 1.36 1.46 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.84 4.23 0.00 1.95 1.80 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 2.15 2.21 0.00 59 D 9.45 4.45 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 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 61 E 7.81 4.44 0.00 2.00 1.85 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 2.17 2.23 0.00 62 V 8.56 3.91 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 0.79 0.00 0.00 0.96 0.00 0.00 63 T 8.32 4.49 4.18 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 1.20 0.00 0.00 64 R 7.58 4.48 0.00 1.85 1.66 0.00 3.22 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 1.62 0.00 65 R 8.72 4.92 0.00 1.74 1.87 0.00 3.24 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 66 L 8.85 4.45 0.00 1.62 1.76 1.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.21 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 0.00 0.00 0.00 68 T 8.67 5.04 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 1.21 0.00 0.00 69 V 9.01 4.47 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 0.83 0.00 0.00 0.87 0.00 0.00 70 L 8.56 4.96 0.00 1.63 1.59 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.95 4.27 1.74 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.32 0.70 0.00 0.00 72 R 8.55 4.21 0.00 1.83 1.84 0.00 3.12 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 73 G 8.89 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 74 D 8.17 4.53 0.00 2.61 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 75 N 7.98 4.65 0.00 2.75 2.80 0.00 0.00 6.90 7.90 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 76 I 7.81 4.16 1.95 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 1.11 0.48 0.88 0.00 0.00 77 V 8.76 4.34 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 0.86 0.00 0.00 0.91 0.00 0.00 78 Y 7.15 5.06 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 5.30 1.87 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 1.39 0.68 0.96 0.00 0.00 80 S 9.38 4.90 0.00 3.79 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 81 R 8.71 4.29 0.00 1.72 1.91 0.00 3.18 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 82 G 8.62 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.39 4.31 0.00 1.76 1.73 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.43 7.81