NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0546 8.1633 120.2175 53.1348 33.4660 174.3343 2 K 4.1540 7.0702 117.3660 54.9233 36.0341 174.1882 3 G 4.3703 8.4397 108.4312 46.3604 0.0000 171.4906 4 K 5.0730 8.3732 118.3356 54.3488 34.7641 176.5838 5 V 4.2548 8.2737 124.4962 60.9450 32.0234 177.2195 6 V 4.1997 8.1666 124.7052 63.1259 32.5141 175.9912 7 S 4.6757 7.6244 112.8243 57.5073 65.9660 173.0277 8 Y 4.7779 8.3003 125.5521 56.9674 41.1300 173.5724 9 L 4.3904 7.4656 127.5362 52.6926 43.7738 177.8070 10 A 3.6386 8.3697 127.6614 54.8527 18.8541 179.1610 11 A 3.9908 7.9852 117.7951 55.0003 18.7352 178.2218 12 K 4.3394 7.6953 113.0487 55.6335 32.1789 177.0729 13 K 3.7001 7.8932 116.3983 57.2070 32.0505 173.6703 14 Y 4.9004 7.3563 120.4678 55.9823 41.6098 174.1045 15 G 4.3083 7.8692 117.5424 43.8451 0.0000 171.0371 16 F 4.2834 8.6393 120.6939 56.6208 43.3178 174.6410 17 I 4.9503 7.1968 125.1928 59.5513 41.2413 173.9429 18 Q 4.7934 9.0736 128.5020 54.4331 30.4906 175.4151 19 G 4.3327 8.9194 114.4132 46.0629 0.0000 173.8529 20 D 4.4925 8.3241 120.3046 57.1207 41.3164 176.9569 21 D 4.6368 8.1875 116.0925 54.2602 40.8808 176.7408 22 G 3.8745 8.2054 107.2230 45.6114 0.0000 173.1353 23 E 4.4166 7.9951 119.9618 54.8112 30.6384 176.3984 24 S 4.8576 8.1918 119.4250 57.6162 63.2189 172.8948 25 Y 4.8747 7.3167 116.1148 56.6140 42.0577 174.3483 26 F 4.7245 9.1418 120.2816 56.0739 40.9894 174.9006 27 L 5.1831 8.3388 123.0684 52.6232 43.7233 175.5125 28 H 4.9728 8.5332 118.8497 53.8481 33.2767 174.4337 29 F 4.2348 8.7263 119.8246 60.7731 38.9429 177.9109 30 S 4.3114 8.3194 113.6986 60.5075 62.0305 174.3269 31 E 4.4024 8.1923 118.9519 57.2870 30.0390 176.0959 32 L 4.4340 7.6547 119.0384 53.7826 42.5918 177.0633 33 L 4.1780 8.6415 122.8887 57.3519 42.2390 177.0524 34 D 4.9342 7.7672 115.7837 52.0149 44.7613 176.2143 35 K 4.3072 8.7128 123.3300 59.5568 32.7002 179.7880 36 K 4.0541 8.1933 118.0779 59.4424 31.8954 178.5883 37 D 4.6249 7.8091 117.8729 56.5091 40.2942 178.6890 38 E 4.0829 8.2851 119.2237 59.0996 29.5665 178.6615 39 G 3.8942 8.5168 104.4803 45.5330 0.0000 174.7158 40 K 4.3833 7.3237 119.3780 55.5183 32.8159 176.8298 41 L 4.0939 6.8265 119.2061 54.3312 42.1520 176.6527 42 V 4.2489 7.9853 120.5738 59.6648 32.9637 175.0718 43 K 4.2261 8.6020 126.3057 56.4114 33.0552 176.1792 44 G 3.9313 9.2967 112.6763 45.9288 0.0000 173.1237 45 S 4.5445 7.4601 115.1520 57.7973 67.0769 172.7893 46 M 4.5651 8.6390 119.6799 55.7548 32.8675 176.2880 47 V 4.6465 8.0635 113.2050 59.9332 36.5135 174.2695 48 H 4.9142 8.7021 122.0080 54.3880 32.0366 172.6849 49 F 5.1913 7.4319 119.9891 55.7464 41.3205 173.3052 50 D 4.9143 8.5345 119.3886 51.7705 43.3302 174.5349 51 P 4.8306 0.0000 0.0000 63.7118 32.3731 175.8056 52 T 4.4661 8.4896 117.4130 62.1334 72.7999 172.3616 53 P 4.5086 0.0000 0.0000 61.4618 32.5330 173.7310 54 T 3.3351 7.6947 114.3554 58.9926 69.9774 171.0588 55 P 4.2034 0.0000 0.0000 65.9834 31.6218 178.0266 56 K 3.8350 7.3568 116.7433 60.0397 31.2579 176.4531 57 G 3.8834 6.9496 109.5115 44.1823 0.0000 172.3795 58 L 4.8220 7.4625 119.5722 52.6535 43.3663 175.6508 59 A 4.9117 8.6857 121.7927 51.2153 23.0297 175.0681 60 A 4.9999 8.3627 121.1655 50.7308 21.7392 176.6021 61 K 4.4077 8.7009 119.0536 55.6403 36.0347 175.0089 62 A 3.8960 8.6505 128.5761 53.0899 15.3279 176.7516 63 I 4.1635 7.9383 121.1237 60.8336 38.3918 176.9427 64 S 4.7347 9.7008 120.7591 56.4211 66.3611 172.7439 65 L 4.8836 8.4419 126.9131 53.3651 40.9028 174.6161 66 P 4.5782 0.0000 0.0000 63.5195 31.8426 177.1761 67 L 4.2101 7.1940 118.0492 54.1139 42.2265 176.4445 68 E 3.8170 8.5509 119.6318 57.2733 30.0036 177.6104 69 H 4.1226 8.8408 120.0333 58.4767 28.9341 175.2318 70 H 4.7816 7.7598 117.3748 54.0739 29.2947 173.4713 71 H 4.2595 8.8428 122.7668 58.5659 28.9280 176.1805 72 H 4.5868 8.0998 118.1712 55.5530 30.5651 173.6906 73 H 5.0345 8.3142 123.1429 54.3870 31.4129 173.8643 74 H 4.4667 8.3669 116.6641 56.0626 28.2860 173.1843 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 1 M 8.16 4.05 0.00 1.75 1.86 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 2 K 7.07 4.15 0.00 1.69 1.62 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.35 7.81 3 G 8.44 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 0.00 0.00 0.00 0.00 4 K 8.37 5.07 0.00 1.77 1.70 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 5 V 8.27 4.25 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 0.93 0.00 0.00 0.97 0.00 0.00 6 V 8.17 4.20 2.13 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 0.88 0.00 0.00 0.88 0.00 0.00 7 S 7.62 4.68 0.00 3.84 3.66 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 0.00 0.00 0.00 0.00 8 Y 8.30 4.78 0.00 2.87 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 9 L 7.47 4.39 0.00 1.28 1.42 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.37 3.64 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 11 A 7.99 3.99 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 12 K 7.70 4.34 0.00 1.97 1.90 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.36 7.81 13 K 7.89 3.70 0.00 2.09 2.25 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.39 7.81 14 Y 7.36 4.90 0.00 2.99 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 15 G 7.87 4.31 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 0.00 0.00 0.00 16 F 8.64 4.28 0.00 2.83 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 17 I 7.20 4.95 1.56 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.91 0.87 0.00 0.00 18 Q 9.07 4.79 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 19 G 8.92 4.33 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 0.00 0.00 0.00 20 D 8.32 4.49 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 21 D 8.19 4.64 0.00 2.77 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 22 G 8.21 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 23 E 8.00 4.42 0.00 2.01 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 0.00 2.33 2.32 0.00 24 S 8.19 4.86 0.00 3.13 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 25 Y 7.32 4.87 0.00 2.41 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 26 F 9.14 4.72 0.00 3.14 3.18 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 0.00 27 L 8.34 5.18 0.00 1.70 1.56 0.86 1.06 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 28 H 8.53 4.97 0.00 3.24 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.73 4.23 0.00 3.21 3.11 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 30 S 8.32 4.31 0.00 3.92 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 31 E 8.19 4.40 0.00 2.32 2.01 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 2.40 2.33 0.00 32 L 7.65 4.43 0.00 1.92 1.84 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.64 4.18 0.00 1.81 1.76 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.77 4.93 0.00 2.74 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 35 K 8.71 4.31 0.00 1.83 1.80 0.00 1.38 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.35 7.81 36 K 8.19 4.05 0.00 1.99 1.89 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.55 7.81 37 D 7.81 4.62 0.00 3.04 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 38 E 8.29 4.08 0.00 2.47 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 39 G 8.52 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 40 K 7.32 4.38 0.00 1.82 1.85 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.48 7.81 41 L 6.83 4.09 0.00 1.33 1.25 0.20 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.99 4.25 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 0.79 0.00 0.00 0.90 0.00 0.00 43 K 8.60 4.23 0.00 1.77 1.75 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.46 7.81 44 G 9.30 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 0.00 0.00 0.00 45 S 7.46 4.54 0.00 3.74 3.76 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 0.00 0.00 0.00 0.00 46 M 8.64 4.57 0.00 1.92 2.00 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 2.59 2.59 0.00 47 V 8.06 4.65 2.13 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 0.62 0.00 0.00 1.05 0.00 0.00 48 H 8.70 4.91 0.00 3.11 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.43 5.19 0.00 3.09 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 50 D 8.53 4.91 0.00 2.92 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 51 P 0.00 4.83 0.00 2.15 2.13 0.00 3.69 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 52 T 8.49 4.47 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 1.24 0.00 0.00 53 P 0.00 4.51 0.00 2.18 2.09 0.00 3.55 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 54 T 7.69 3.34 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 55 P 0.00 4.20 0.00 2.00 2.15 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 56 K 7.36 3.83 0.00 1.39 1.45 0.00 1.30 0.00 0.00 1.09 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.20 7.81 57 G 6.95 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 58 L 7.46 4.82 0.00 1.63 1.75 0.74 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.69 4.91 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 60 A 8.36 5.00 1.16 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 61 K 8.70 4.41 0.00 1.88 1.63 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.43 7.81 62 A 8.65 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 4.16 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.89 0.00 0.00 64 S 9.70 4.73 0.00 3.79 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.44 4.88 0.00 1.71 1.76 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.58 0.00 2.17 2.14 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 67 L 7.19 4.21 0.00 1.73 1.68 0.94 0.90 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 68 E 8.55 3.82 0.00 1.71 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 2.31 2.40 0.00 69 H 8.84 4.12 0.00 3.11 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.76 4.78 0.00 3.08 3.20 0.00 5.70 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 71 H 8.84 4.26 0.00 3.15 3.42 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.10 4.59 0.00 3.17 3.23 0.00 5.68 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 73 H 8.31 5.03 0.00 3.07 3.16 0.00 5.93 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.37 4.47 0.00 3.27 3.28 0.00 5.56 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