NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 S 4.0997 8.1814 116.7786 58.1583 64.7065 175.2786 12 G 3.5474 7.8520 112.0552 46.0008 0.0000 174.7614 13 R 4.0327 8.4093 116.5327 58.2915 30.9411 175.6487 14 F 5.0493 8.0791 116.8668 57.2568 40.0896 176.7081 15 G 3.7187 7.5404 110.1485 47.2113 0.0000 174.1034 16 A 4.4491 8.5444 127.8410 52.0978 18.8258 177.2395 17 R 4.0746 7.3466 117.1618 57.1586 31.5026 175.9831 18 Y 4.0586 8.1264 118.0809 57.0252 36.6018 170.7468 19 G 3.9757 8.0051 103.5017 44.7622 0.0000 172.6988 20 R 3.8192 7.9461 115.2812 59.2341 29.5608 179.0375 21 V 3.5135 7.8699 117.4749 66.8522 32.0972 178.1943 22 S 4.1193 8.1476 114.0481 61.8070 62.7357 176.6828 23 R 4.4944 7.7880 116.3063 57.4314 29.7016 178.4184 24 R 3.9505 8.5225 120.9775 59.5943 30.1603 178.4286 25 R 3.9175 8.4181 118.3912 59.2373 30.0397 179.0430 26 V 3.6777 7.7752 117.3818 66.0761 31.3722 177.7622 27 A 3.9772 7.7544 120.6565 54.9736 18.2593 179.1386 28 E 3.8971 8.2707 116.2682 59.6565 29.7157 179.8644 29 I 3.6845 8.1390 119.7837 64.6727 37.2905 178.4213 30 E 4.1390 8.3838 118.8265 58.6725 29.4132 179.4279 31 S 4.0691 8.5701 114.2183 61.4284 62.3370 175.7450 32 E 4.3148 8.4477 120.9398 59.1403 29.4040 178.0267 33 M 4.8917 7.9621 119.3544 57.8737 32.4794 177.0922 34 N 4.8058 8.0278 113.7982 52.7958 39.4229 175.3629 35 E 4.1112 7.0285 119.0125 56.3894 30.2163 176.1911 36 D 4.5667 8.3843 120.8168 54.6791 41.6917 175.5771 37 H 5.0022 8.3067 119.9457 53.6715 31.7963 173.9422 38 A 4.3708 8.5683 124.0716 51.7302 18.6102 176.9182 39 C 4.0423 9.1524 123.6639 60.1578 31.4933 172.6346 40 P 4.2216 0.0000 0.0000 65.2526 30.9846 176.6649 41 N 3.9555 7.2661 116.8154 55.2254 39.1285 178.0924 42 C 4.5096 7.9136 118.9721 57.7284 32.6090 173.8906 43 G 4.1265 8.4258 106.3311 46.3113 0.0000 173.6714 44 E 4.0718 8.1619 120.7732 56.3784 30.6375 176.6635 45 D 5.3993 8.2407 124.2559 52.3932 39.0602 176.1621 46 R 4.7715 7.6684 116.6384 55.6819 33.1012 175.0523 47 V 4.8391 8.0638 119.7245 62.4205 33.1350 174.4302 48 D 5.4268 9.3610 127.0558 52.2869 44.9605 175.4584 49 R 3.5998 8.8388 122.0105 56.3347 30.6009 176.1764 50 Q 4.3562 8.6486 122.9395 55.3201 30.9445 175.7149 51 G 3.6518 6.7201 103.5971 45.7716 0.0000 171.2671 52 T 3.4828 8.3602 117.2903 64.7968 68.3244 174.6050 53 G 4.2964 8.4877 114.2609 46.5146 0.0000 171.5339 54 I 4.5541 6.9705 121.2035 59.0269 39.4588 174.7959 55 W 4.9642 8.6877 127.0354 54.9198 32.7716 174.5201 56 Q 5.6264 9.0350 122.4627 54.5256 32.8075 172.8673 57 C 5.2008 8.9188 126.1449 58.3460 32.4271 174.5535 58 S 4.2230 9.0163 121.8340 61.0779 62.7110 174.8629 59 Y 4.4048 7.8990 122.4636 59.5883 38.4373 175.4082 60 C 4.1517 7.9716 112.1782 57.4673 30.6115 174.3782 61 D 4.5132 8.4541 119.2032 54.9527 38.7040 172.8926 62 Y 4.3837 7.6183 122.4782 58.1018 39.6386 174.6052 63 K 5.0332 8.5223 129.1076 54.9645 33.7612 175.1677 64 F 4.9669 9.1550 121.9240 55.9838 41.9697 172.9738 65 T 4.8808 8.5261 108.9531 61.0267 70.4411 175.0838 66 G 4.2584 7.8042 109.0949 47.0691 0.0000 172.3305 67 G 4.0876 8.3997 111.5247 45.2780 0.0000 174.6441 68 S 4.0116 8.4458 114.6031 60.7312 62.8961 175.1672 69 Y 4.9892 7.7433 114.5378 57.4198 39.8848 175.1300 70 K 4.7858 7.9785 119.0507 53.6068 35.9269 175.3662 71 P 2.9700 0.0000 0.0000 64.0681 31.6551 175.9765 72 E 4.7589 7.5936 117.7214 53.9208 33.1782 175.2283 73 T 4.6851 8.1278 112.7800 59.0058 72.6020 173.4133 74 P 4.3235 0.0000 0.0000 66.2016 31.7099 178.8489 75 G 3.8722 8.1956 103.7016 47.6734 0.0000 175.6308 76 G 3.6753 8.1546 107.9680 47.6892 0.0000 175.7330 77 K 4.2501 8.1365 119.1000 58.3988 31.8199 179.2062 78 T 4.0712 7.8094 117.1166 66.2129 68.2154 176.5544 79 V 3.6165 7.1380 118.0173 66.2445 31.4966 177.1332 80 R 4.0246 8.0844 115.2339 59.4313 30.2951 177.8717 81 R 3.4046 7.3019 109.7176 60.1785 30.1358 176.9231 82 S 4.2954 8.7250 119.6452 59.3464 62.6394 175.1103 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 S 8.18 4.10 0.00 3.98 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 0.00 12 G 7.85 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.41 4.03 0.00 1.86 1.95 0.00 2.84 0.00 0.00 3.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.10 0.00 14 F 8.08 5.05 0.00 3.51 3.26 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 0.00 0.00 0.00 0.00 15 G 7.54 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 16 A 8.54 4.45 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.35 4.07 0.00 0.67 0.66 0.00 2.88 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.32 0.00 18 Y 8.13 4.06 0.00 3.06 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 19 G 8.01 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 R 7.95 3.82 0.00 1.88 1.88 0.00 3.18 0.00 0.00 3.27 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 21 V 7.87 3.51 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 1.13 0.00 0.00 0.94 0.00 0.00 22 S 8.15 4.12 0.00 3.92 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 23 R 7.79 4.49 0.00 2.31 2.53 0.00 2.98 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.73 0.00 24 R 8.52 3.95 0.00 1.95 2.13 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 25 R 8.42 3.92 0.00 1.85 1.93 0.00 3.18 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 26 V 7.78 3.68 2.25 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 1.21 0.00 0.00 1.13 0.00 0.00 27 A 7.75 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 3.90 0.00 2.04 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 2.35 2.63 0.00 29 I 8.14 3.68 1.84 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.57 0.00 0.00 30 E 8.38 4.14 0.00 2.05 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 0.00 2.31 2.49 0.00 31 S 8.57 4.07 0.00 3.98 4.01 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 32 E 8.45 4.31 0.00 2.10 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 2.36 0.00 33 M 7.96 4.89 0.00 2.34 2.44 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.69 0.00 34 N 8.03 4.81 0.00 2.81 2.89 0.00 0.00 7.07 7.65 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 35 E 7.03 4.11 0.00 1.94 1.86 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 2.41 2.50 0.00 36 D 8.38 4.57 0.00 2.54 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 37 H 8.31 5.00 0.00 2.90 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.57 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 39 C 9.15 4.04 0.00 3.08 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 40 P 0.00 4.22 0.00 1.82 1.89 0.00 3.50 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.78 0.00 41 N 7.27 3.96 0.00 1.90 2.45 0.00 0.00 7.00 7.65 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 42 C 7.91 4.51 0.00 3.26 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 43 G 8.43 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 0.00 0.00 0.00 44 E 8.16 4.07 0.00 1.97 1.86 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 1.77 2.19 0.00 45 D 8.24 5.40 0.00 2.55 2.63 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 0.00 0.00 0.00 46 R 7.67 4.77 0.00 1.83 1.96 0.00 3.34 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 47 V 8.06 4.84 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 1.30 0.00 0.00 1.24 0.00 0.00 48 D 9.36 5.43 0.00 2.65 2.56 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 0.00 0.00 0.00 0.00 49 R 8.84 3.60 0.00 0.92 1.46 0.00 2.89 0.00 0.00 2.90 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 50 Q 8.65 4.36 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 51 G 6.72 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 0.00 0.00 0.00 52 T 8.36 3.48 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 1.04 0.00 0.00 53 G 8.49 4.30 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 0.00 54 I 6.97 4.55 1.59 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.95 0.73 0.00 0.00 55 W 8.69 4.96 0.00 1.89 2.82 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 0.00 56 Q 9.03 5.63 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 57 C 8.92 5.20 0.00 3.31 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 58 S 9.02 4.22 0.00 4.11 4.06 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 0.00 0.00 0.00 0.00 59 Y 7.90 4.40 0.00 2.91 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 60 C 7.97 4.15 0.00 3.03 2.93 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 61 D 8.45 4.51 0.00 2.91 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 62 Y 7.62 4.38 0.00 3.24 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 63 K 8.52 5.03 0.00 1.79 1.64 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.37 7.81 64 F 9.15 4.97 0.00 2.99 2.33 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 65 T 8.53 4.88 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 1.21 0.00 0.00 66 G 7.80 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.40 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 68 S 8.45 4.01 0.00 3.09 2.63 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 0.00 0.00 0.00 69 Y 7.74 4.99 0.00 3.19 3.03 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 70 K 7.98 4.79 0.00 1.81 1.53 0.00 1.80 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.52 7.81 71 P 0.00 2.97 0.00 1.84 0.78 0.00 2.98 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 72 E 7.59 4.76 0.00 1.85 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 2.19 2.21 0.00 73 T 8.13 4.69 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 74 P 0.00 4.32 0.00 2.05 2.19 0.00 3.71 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 2.05 2.19 0.00 75 G 8.20 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 0.00 0.00 0.00 76 G 8.15 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.14 4.25 0.00 1.88 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.63 7.81 78 T 7.81 4.07 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 79 V 7.14 3.62 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 0.84 0.00 0.00 0.97 0.00 0.00 80 R 8.08 4.02 0.00 1.83 2.00 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 81 R 7.30 3.40 0.00 2.02 1.82 0.00 3.19 0.00 0.00 3.27 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 82 S 8.73 4.30 0.00 3.97 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