NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.2087 8.3027 121.4674 55.5753 30.7817 174.5939 9 R 3.9084 8.4008 127.0598 57.3597 30.4682 174.7348 10 G 3.8919 10.0553 115.6227 44.9271 0.0000 171.5883 11 E 4.5877 7.3518 118.3248 54.4929 29.9442 175.8026 12 V 3.7634 8.3351 125.4239 65.5817 32.3135 175.7791 13 Y 4.9941 7.6580 119.7292 56.3850 42.4345 173.9388 14 S 5.1652 7.7615 119.7000 57.3234 65.8851 172.8923 15 E 4.6136 9.3932 125.3336 53.9879 33.1367 173.7810 16 K 4.6123 8.6421 126.6454 54.3294 34.8320 174.7950 17 L 4.7261 8.7811 128.8202 53.3090 44.4669 175.5199 18 F 4.9032 8.9716 125.4202 57.4112 40.1545 174.7739 19 T 4.8885 7.9582 109.8167 59.8579 71.9363 173.6625 20 E 4.2400 9.0125 119.2033 56.9836 29.6484 176.7477 21 S 4.7466 7.5219 114.1431 56.3478 65.4330 173.6975 22 E 4.3544 8.5845 115.1920 57.1860 28.8859 175.8946 23 R 4.9277 8.1919 120.8548 55.0886 32.4656 175.2539 24 T 4.7334 8.5898 120.3045 61.7985 72.1517 172.6629 25 Y 5.0928 8.4799 122.5755 56.1181 41.6409 174.6794 26 F 5.0542 8.8550 120.3440 55.6501 43.2558 174.2679 27 F 5.0194 9.5624 121.5194 56.0081 41.7617 173.7601 28 N 5.6470 9.5307 121.8834 51.2506 42.3478 174.0175 29 V 4.6636 9.0950 122.4990 61.1407 34.2526 174.5557 30 K 4.7194 8.1792 126.6153 54.2997 35.9990 174.4746 31 E 5.1947 8.5617 123.0447 54.6699 32.2963 175.9691 32 N 5.0690 9.1400 124.9508 51.6387 39.9552 175.2016 33 R 3.9215 8.8317 117.4635 59.9370 29.9234 178.4720 34 K 4.0072 8.0429 114.8658 58.1299 32.1514 178.0246 35 G 4.1630 8.1237 106.0445 44.5661 0.0000 172.8554 36 D 4.9114 8.8368 120.7232 54.1121 42.3418 175.6630 37 Y 5.3100 9.8851 121.3084 57.7467 39.9107 174.5141 38 F 5.3798 8.7173 115.8905 55.4825 42.0984 172.8866 39 L 4.9902 9.1666 122.8397 53.8123 44.3448 174.7036 40 N 5.0004 9.3319 123.7159 51.8559 42.0328 172.6973 41 I 4.7253 8.3681 127.6199 59.5285 39.6227 174.8407 42 V 4.7739 8.5381 126.9801 60.9053 34.7058 173.5757 43 E 4.7364 9.3691 128.9972 54.4547 31.9506 174.1708 44 S 5.2109 9.3373 122.8887 56.4906 64.7379 172.3196 45 K 4.9800 9.2790 129.3344 54.5695 34.6057 174.6090 46 R 4.1961 8.5981 128.9894 54.9823 30.5362 176.4418 47 S 4.3370 8.9089 121.9658 57.1553 63.9983 173.2853 48 P 4.1676 0.0000 0.0000 65.8817 31.1464 178.2670 49 S 4.0745 7.8889 111.3321 59.9290 62.9534 175.0186 50 G 3.9426 7.9838 108.0409 44.8831 0.0000 173.1672 51 D 4.6843 7.8377 119.5336 53.6305 42.6767 175.3703 52 F 5.1369 8.6978 120.0312 56.0732 40.8584 174.9426 53 E 4.5153 9.1877 124.7043 55.0770 31.0960 175.3202 54 R 4.9914 8.5293 123.6462 54.6575 32.6497 174.9419 55 H 4.9270 9.3080 121.8318 53.9824 31.3788 173.2822 56 S 5.0260 8.7211 117.4683 56.4641 65.2101 172.8677 57 I 4.6514 8.6244 127.4318 59.4444 40.3976 174.3814 58 F 5.0890 8.7780 124.0839 55.6158 41.9822 174.9945 59 V 4.1781 8.2940 121.8603 61.4263 34.7299 173.7751 60 Y 4.9490 8.6924 124.8939 57.3336 39.8104 177.4594 61 E 3.8930 9.0669 122.9185 59.5119 29.6512 179.8923 62 E 4.0172 8.3959 115.2131 58.7103 29.7408 177.2251 63 N 5.6871 9.1389 114.9240 52.0675 39.6530 176.2982 64 I 3.7954 7.8746 115.3279 64.4648 37.6536 177.8592 65 N 4.3537 8.3024 118.6588 55.8077 38.4007 176.9724 66 E 4.1007 8.2087 118.4027 58.9811 29.9259 178.7727 67 F 3.9920 8.4770 121.7339 60.9764 39.4298 176.6000 68 E 3.9422 8.9952 119.5185 59.4809 29.5059 178.9658 69 S 4.0833 7.9126 113.7101 61.6228 63.0025 176.1810 70 N 4.3057 8.0990 120.0639 55.6327 38.1746 177.2675 71 L 3.7193 7.8292 122.0328 58.1164 42.3269 178.9704 72 L 3.9458 8.0342 119.1314 57.7218 41.2566 179.8366 73 K 3.9540 7.8668 117.4464 59.2539 31.8025 178.9021 74 A 4.1048 7.9375 121.0319 55.4118 18.2929 179.8298 75 I 3.7527 7.9912 118.0061 64.1395 37.2602 178.4790 76 A 4.1289 7.9173 121.2404 54.8083 17.9531 179.8409 77 V 3.5684 7.4720 116.4355 66.0367 31.3245 178.4164 78 I 3.7331 7.4385 118.2705 64.3508 37.2595 177.9225 79 K 4.0466 8.1904 118.4341 59.3957 31.8766 178.9315 80 Q 4.0955 7.7231 118.4498 58.5445 30.4918 177.9499 81 K 4.3914 7.3726 119.8343 54.5937 28.8865 177.0933 82 V 3.9859 7.1321 121.8010 63.1535 31.6694 174.1094 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 8 E 8.30 4.21 0.00 2.00 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 2.44 2.29 0.00 9 R 8.40 3.91 0.00 1.89 1.84 0.00 3.27 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 10 G 10.06 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 11 E 7.35 4.59 0.00 1.99 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 2.19 2.18 0.00 12 V 8.34 3.76 1.73 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 0.51 0.00 0.00 0.20 0.00 0.00 13 Y 7.66 4.99 0.00 3.00 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 14 S 7.76 5.17 0.00 3.91 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 15 E 9.39 4.61 0.00 1.69 1.90 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 2.20 2.29 0.00 16 K 8.64 4.61 0.00 1.55 1.42 0.00 1.56 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.37 0.21 7.81 17 L 8.78 4.73 0.00 1.94 1.83 1.00 1.13 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 18 F 8.97 4.90 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 19 T 7.96 4.89 4.37 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 0.00 0.00 0.00 1.48 0.00 0.00 20 E 9.01 4.24 0.00 2.02 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 0.00 2.33 2.32 0.00 21 S 7.52 4.75 0.00 4.02 3.93 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 0.00 0.00 0.00 22 E 8.58 4.35 0.00 2.12 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 0.00 2.34 2.38 0.00 23 R 8.19 4.93 0.00 1.76 1.44 0.00 3.18 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 1.59 1.57 0.00 24 T 8.59 4.73 4.12 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 0.00 0.00 0.53 0.00 0.00 25 Y 8.48 5.09 0.00 2.78 2.27 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 26 F 8.85 5.05 0.00 2.73 2.81 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 27 F 9.56 5.02 0.00 3.07 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 28 N 9.53 5.65 0.00 2.60 2.64 0.00 0.00 6.07 7.63 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 29 V 9.09 4.66 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 0.73 0.00 0.00 0.81 0.00 0.00 30 K 8.18 4.72 0.00 0.79 1.08 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.11 7.81 31 E 8.56 5.19 0.00 1.90 1.75 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 2.32 2.46 0.00 32 N 9.14 5.07 0.00 3.04 3.35 0.00 0.00 6.24 8.41 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 33 R 8.83 3.92 0.00 1.82 2.04 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 34 K 8.04 4.01 0.00 2.00 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 35 G 8.12 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 36 D 8.84 4.91 0.00 2.95 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 37 Y 9.89 5.31 0.00 2.80 2.81 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 38 F 8.72 5.38 0.00 3.01 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.17 4.99 0.00 1.68 1.52 1.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 N 9.33 5.00 0.00 2.53 2.49 0.00 0.00 6.98 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 41 I 8.37 4.73 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.76 0.00 0.00 42 V 8.54 4.77 2.12 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 0.94 0.00 0.00 0.78 0.00 0.00 43 E 9.37 4.74 0.00 2.14 1.83 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 2.00 1.73 0.00 44 S 9.34 5.21 0.00 3.97 3.87 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 0.00 0.00 0.00 45 K 9.28 4.98 0.00 1.96 1.65 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.33 7.81 46 R 8.60 4.20 0.00 1.70 1.67 0.00 3.30 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 47 S 8.91 4.34 0.00 3.92 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 48 P 0.00 4.17 0.00 2.03 2.15 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 49 S 7.89 4.07 0.00 3.94 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 50 G 7.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.84 4.68 0.00 2.54 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 52 F 8.70 5.14 0.00 2.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 9.19 4.52 0.00 2.08 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 2.25 2.27 0.00 54 R 8.53 4.99 0.00 1.61 1.77 0.00 3.02 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 55 H 9.31 4.93 0.00 3.03 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.72 5.03 0.00 3.75 3.69 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 57 I 8.62 4.65 1.82 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.86 0.00 0.00 58 F 8.78 5.09 0.00 2.76 2.38 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 59 V 8.29 4.18 1.64 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 0.75 0.00 0.00 0.01 0.00 0.00 60 Y 8.69 4.95 0.00 2.97 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 61 E 9.07 3.89 0.00 2.29 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 2.39 2.61 0.00 62 E 8.40 4.02 0.00 2.11 2.16 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 2.37 2.40 0.00 63 N 9.14 5.69 0.00 2.82 2.94 0.00 0.00 6.74 7.72 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 64 I 7.87 3.80 1.94 0.00 0.00 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 1.63 0.86 0.96 0.00 0.00 65 N 8.30 4.35 0.00 2.87 2.95 0.00 0.00 6.82 7.66 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 66 E 8.21 4.10 0.00 2.21 2.24 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 2.70 2.38 0.00 67 F 8.48 3.99 0.00 3.33 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 3.94 0.00 2.18 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 2.31 2.35 0.00 69 S 7.91 4.08 0.00 4.10 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 70 N 8.10 4.31 0.00 2.88 2.75 0.00 0.00 6.63 6.76 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 71 L 7.83 3.72 0.00 1.27 1.66 0.84 0.81 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 72 L 8.03 3.95 0.00 1.83 1.67 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.87 3.95 0.00 1.84 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.59 7.81 74 A 7.94 4.10 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 75 I 7.99 3.75 1.83 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 1.42 0.54 0.88 0.00 0.00 76 A 7.92 4.13 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 77 V 7.47 3.57 2.24 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 1.01 0.00 0.00 0.98 0.00 0.00 78 I 7.44 3.73 2.00 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 1.63 0.63 0.90 0.00 0.00 79 K 8.19 4.05 0.00 1.67 1.87 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.56 7.81 80 Q 7.72 4.10 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.43 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 81 K 7.37 4.39 0.00 1.71 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.57 7.81 82 V 7.13 3.99 2.26 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 0.74 0.00 0.00 0.97 0.00 0.00