NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6840 8.2833 119.1994 53.2441 40.3167 174.9724 7 I 3.4566 8.3796 126.9904 63.5181 37.1592 176.5878 8 Q 3.8185 8.7685 121.1504 59.4563 29.3612 177.7584 9 D 4.2534 7.9424 119.2191 57.2564 40.8809 178.8544 10 K 3.8775 8.0059 118.8383 59.2179 31.9339 179.3538 11 A 3.3667 7.9257 121.2890 54.8991 18.1543 179.7126 12 L 3.4022 7.3980 117.5360 57.4527 41.3810 179.3396 13 E 4.0911 7.7831 120.6501 58.6806 29.5732 178.4465 14 N 4.2202 7.8388 116.9424 56.7046 39.1585 176.7549 15 F 4.4713 7.8519 119.4810 60.5608 39.0025 177.6795 16 K 4.3506 8.7216 120.4490 59.1447 31.9054 178.8322 17 A 4.1148 8.3257 120.0777 54.4824 18.3186 178.3115 18 N 4.7207 8.0111 112.2074 51.9663 39.2493 174.8520 19 Q 3.4857 7.9766 117.7716 56.9822 27.4198 174.2773 20 T 4.0636 7.6518 113.0985 63.5732 69.9468 174.0398 21 E 4.2400 8.7174 127.1143 55.9460 30.2371 175.6866 22 V 4.4310 8.9124 127.5243 61.3036 34.9918 174.0718 23 T 4.8363 8.9263 123.7714 61.9657 70.7288 173.5005 24 V 4.4892 8.6677 127.1064 61.1700 33.7481 174.2412 25 F 5.0183 8.9913 126.8606 55.9310 41.5459 175.5159 26 F 4.8768 9.0895 121.8247 55.7258 41.0148 176.9739 27 L 3.9548 8.7138 120.3220 58.0136 41.3725 178.4807 28 N 4.5147 8.1249 112.9786 52.8055 37.5148 175.8582 29 G 4.1738 8.4497 108.5405 45.5783 0.0000 174.1134 30 F 4.8054 8.4815 119.0402 57.5736 39.6651 173.8998 31 Q 4.9418 8.1188 118.7069 55.1935 31.5536 173.7169 32 M 4.8353 8.8802 119.4004 53.9151 36.2302 173.4242 33 K 4.9385 8.3694 125.2240 54.6637 35.3598 175.7901 34 G 3.9213 8.0553 112.6037 45.8220 0.0000 171.0401 35 V 4.8624 7.6509 119.0410 60.2456 33.9978 175.8546 36 I 4.5310 8.3685 128.6282 61.3877 37.3797 176.0536 37 E 4.3655 9.1637 127.8105 57.9883 30.7677 176.5635 38 E 4.7304 7.9404 116.7012 55.7167 33.9699 173.1780 39 Y 5.1842 7.4200 116.4710 56.6374 40.5839 173.5905 40 D 4.5772 8.7219 120.0249 52.4762 41.5816 174.9363 41 K 3.9333 8.7158 118.0952 59.1750 32.4767 178.0571 42 Y 4.9620 8.6102 115.2053 57.8933 40.3214 175.3218 43 V 5.1608 7.9361 111.1898 59.5397 36.9112 174.4921 44 V 4.8271 8.8236 121.4359 61.3575 34.9159 174.0630 45 S 5.1500 9.4986 123.2889 56.8935 63.9615 172.1864 46 L 5.1057 9.1049 130.5665 53.2895 44.5358 174.3909 47 N 5.1726 9.4838 126.0746 52.8007 40.5038 174.1732 48 S 4.8154 8.5616 122.6377 57.9053 66.3723 175.6353 49 Q 3.0149 7.8557 112.8976 56.5979 30.2217 177.4585 50 G 4.2125 8.1229 107.4250 43.7527 0.0000 172.6211 51 K 4.5548 8.0310 116.8626 54.5591 36.4965 174.7813 52 Q 4.9624 8.3853 121.9062 54.6865 31.2705 174.1988 53 H 4.9195 9.3379 123.6134 53.9275 31.8578 172.5329 54 L 4.9177 8.6742 125.9623 53.8066 42.9296 175.1696 55 I 4.5829 8.7100 128.4134 59.6363 39.8984 175.0689 56 Y 4.6850 8.4673 124.3565 57.2960 38.7133 176.8401 57 K 4.0244 9.3514 125.5774 59.6702 32.4009 178.9029 58 H 4.2921 8.4054 112.8356 57.6434 28.6928 175.6649 59 A 4.6271 8.2297 122.1705 52.1017 19.6347 176.3723 60 I 4.2888 7.4970 117.5253 60.4548 38.3060 175.3552 61 S 4.5618 8.9125 120.0130 60.2214 63.3021 174.2526 62 T 4.7535 7.4576 114.0607 62.2040 73.1152 172.0681 63 Y 5.1978 8.6478 121.1448 56.6364 40.6180 175.0722 64 T 4.8488 9.1947 117.6758 60.3605 71.5039 172.5095 65 V 4.6620 8.2063 124.8619 60.6942 34.9065 175.1832 66 E 4.1702 8.7387 124.4731 56.7997 29.3518 176.8573 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 6 N 8.28 4.68 0.00 2.80 2.74 0.00 0.00 7.09 7.06 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 7 I 8.38 3.46 1.84 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 1.49 0.62 0.86 0.00 0.00 8 Q 8.77 3.82 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 9 D 7.94 4.25 0.00 2.72 2.69 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 10 K 8.01 3.88 0.00 1.85 1.73 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.53 7.81 11 A 7.93 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.40 3.40 0.00 0.84 0.13 0.49 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.78 4.09 0.00 2.15 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 0.00 2.29 2.21 0.00 14 N 7.84 4.22 0.00 2.76 2.59 0.00 0.00 7.27 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 15 F 7.85 4.47 0.00 3.06 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 16 K 8.72 4.35 0.00 2.07 2.05 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.42 7.81 17 A 8.33 4.11 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 18 N 8.01 4.72 0.00 2.88 2.88 0.00 0.00 7.15 7.83 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 19 Q 7.98 3.49 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 20 T 7.65 4.06 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 1.20 0.00 0.00 21 E 8.72 4.24 0.00 1.94 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 2.27 2.33 0.00 22 V 8.91 4.43 1.89 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 0.90 0.00 0.00 0.08 0.00 0.00 23 T 8.93 4.84 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 0.96 0.00 0.00 24 V 8.67 4.49 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 0.19 0.00 0.00 0.87 0.00 0.00 25 F 8.99 5.02 0.00 2.88 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 26 F 9.09 4.88 0.00 3.09 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 27 L 8.71 3.95 0.00 1.68 1.77 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.12 4.51 0.00 2.54 2.69 0.00 0.00 6.23 7.00 0.00 0.00 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 G 8.45 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.48 4.81 0.00 3.11 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.12 4.94 0.00 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.73 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 32 M 8.88 4.84 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 33 K 8.37 4.94 0.00 1.71 1.60 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.71 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 34 G 8.06 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 0.00 0.00 0.00 35 V 7.65 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 1.10 0.00 0.00 0.94 0.00 0.00 36 I 8.37 4.53 1.98 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 1.43 0.53 1.08 0.00 0.00 37 E 9.16 4.37 0.00 1.87 2.02 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 2.32 2.48 0.00 38 E 7.94 4.73 0.00 1.95 1.72 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 2.31 2.23 0.00 39 Y 7.42 5.18 0.00 3.29 3.06 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 40 D 8.72 4.58 0.00 2.69 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 41 K 8.72 3.93 0.00 1.47 1.23 0.00 1.51 0.00 0.00 1.22 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 1.12 7.81 42 Y 8.61 4.96 0.00 3.16 3.08 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 43 V 7.94 5.16 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 0.64 0.00 0.00 1.00 0.00 0.00 44 V 8.82 4.83 2.20 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 1.09 0.00 0.00 1.13 0.00 0.00 45 S 9.50 5.15 0.00 3.91 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 46 L 9.10 5.11 0.00 1.81 1.58 1.01 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.48 5.17 0.00 3.19 2.70 0.00 0.00 6.61 7.50 0.00 0.00 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 S 8.56 4.82 0.00 3.86 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 49 Q 7.86 3.01 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.52 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 50 G 8.12 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.03 4.55 0.00 1.70 1.47 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.35 7.81 52 Q 8.39 4.96 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 53 H 9.34 4.92 0.00 3.10 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.67 4.92 0.00 1.59 1.52 0.89 0.97 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 55 I 8.71 4.58 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 1.07 0.00 0.00 56 Y 8.47 4.68 0.00 2.90 2.40 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 57 K 9.35 4.02 0.00 1.96 1.99 0.00 1.96 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.62 1.65 7.81 58 H 8.41 4.29 0.00 3.20 3.51 0.00 5.71 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 59 A 8.23 4.63 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 4.29 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.67 0.30 0.00 0.00 61 S 8.91 4.56 0.00 3.83 3.99 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 62 T 7.46 4.75 4.17 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 0.00 0.00 0.00 1.19 0.00 0.00 63 Y 8.65 5.20 0.00 2.95 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 64 T 9.19 4.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 65 V 8.21 4.66 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 0.88 0.00 0.00 0.71 0.00 0.00 66 E 8.74 4.17 0.00 2.00 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 2.31 2.25 0.00