NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 95 G 3.9121 8.3393 109.7296 45.1225 0.0000 173.8239 96 S 4.0019 8.4250 113.4472 59.7221 63.2236 172.9005 97 Q 4.6176 8.3406 120.6076 53.7443 31.2758 176.5240 98 L 4.0787 8.7160 122.6751 58.2063 41.5727 178.1536 99 C 3.9145 7.7914 117.1451 60.1820 32.0422 174.6288 100 G 3.8450 7.7733 107.1327 46.4021 0.0000 173.3067 101 R 4.4006 7.6677 115.1228 55.0936 31.6155 175.7543 102 V 4.4944 8.0914 114.1646 59.5473 34.8695 175.0593 103 F 5.1346 8.8213 123.5460 56.7725 40.8828 175.8906 104 K 4.6622 9.1569 122.2021 55.4102 33.9962 176.7531 105 S 4.3027 8.5079 118.0077 60.3253 63.1041 175.9046 106 G 3.9735 9.1887 114.0190 44.8758 0.0000 173.0760 107 E 4.1211 7.8633 121.9328 56.1029 30.7455 176.0729 108 T 4.4026 8.3911 124.1718 63.8401 69.2858 173.7545 109 T 4.5905 8.8510 115.3892 60.2021 73.0556 172.0663 110 Y 4.9879 8.9709 119.2502 56.2481 41.4981 175.0011 111 S 5.3013 9.4231 117.4434 56.7471 66.4929 172.0291 112 C 5.2553 8.8014 122.7360 57.6383 32.8571 174.5665 113 R 3.9832 9.2889 127.0052 59.2088 29.6425 178.2592 114 D 4.5968 8.4588 118.0368 56.1974 41.5765 176.7990 115 C 4.7869 8.1397 114.8214 60.1856 30.6992 174.1085 116 A 4.0142 8.2968 122.5380 51.8090 18.4613 177.4739 117 I 3.7452 7.6853 123.8697 64.2368 37.4339 175.8768 118 D 4.5645 7.1874 116.8997 51.5635 41.6705 174.1863 119 P 4.2165 0.0000 0.0000 65.0386 31.2718 177.7932 120 T 3.9551 7.8076 107.1653 62.7063 69.1393 174.3150 121 C 4.4577 7.8217 121.9222 59.2764 28.3419 173.4701 122 V 4.9954 9.1859 123.1643 60.0420 35.0482 174.3596 123 L 5.5137 9.5144 122.0474 52.9495 45.6125 176.4152 124 C 4.9809 8.9843 116.7460 58.1115 30.8256 174.4601 125 M 4.4056 8.9247 120.3894 58.9381 31.2454 178.8617 126 D 4.3881 8.1026 117.7188 57.4684 41.4317 178.1136 127 C 4.3134 8.1120 116.8638 62.5618 28.3535 175.6576 128 F 3.9776 8.6732 122.6336 61.4318 38.8555 176.9479 129 Q 3.8599 8.0727 114.6889 57.0147 28.5662 176.2302 130 D 4.7754 7.5231 119.6939 53.4680 41.3001 174.8781 131 S 4.9676 7.3986 111.1169 55.4006 66.3107 175.2161 132 V 3.5077 7.8177 112.8247 64.3686 31.5414 178.4524 133 H 4.2097 7.2799 115.9367 57.6129 28.6710 177.4220 134 K 3.2502 6.7830 117.1207 58.5777 32.1961 177.3174 135 N 4.8580 7.6529 115.2369 53.2596 38.7986 173.7402 136 H 5.0815 7.9034 116.5286 53.9926 31.3451 175.9424 137 R 4.4136 9.2623 119.8175 56.6968 28.0476 175.9586 138 Y 5.2779 8.0289 120.8207 55.4533 40.8000 175.0610 139 K 4.6692 9.1449 121.3942 54.9586 35.8008 174.6766 140 M 4.5122 8.5647 126.0318 54.6804 33.3368 175.1642 141 H 4.7928 8.9235 120.4488 54.1710 32.4773 173.2200 142 T 4.6586 8.2620 119.2334 62.1505 69.2285 174.7514 143 S 4.2343 9.1679 123.2990 58.5489 63.4668 174.6665 144 T 4.1982 8.5538 115.2301 61.4715 69.1787 175.3294 145 G 4.0844 7.6588 109.8063 48.8853 0.0000 174.1818 146 G 4.0012 8.6871 111.4988 44.8559 0.0000 173.8764 147 G 4.1821 7.9297 106.9384 46.0972 0.0000 172.1060 148 F 4.9096 7.6696 113.0103 54.9767 40.8857 173.8708 149 C 4.4976 8.1007 121.3653 59.6882 31.9246 172.9875 150 D 4.9454 9.4718 125.5780 54.2397 40.7247 175.7271 151 C 3.9624 8.2097 119.9152 61.2725 31.5948 174.1195 152 G 3.4305 9.2097 114.7438 45.5284 0.0000 173.1689 153 D 4.5040 8.2904 120.6027 53.8371 40.1625 176.4943 154 T 4.0465 8.3259 121.1429 63.3037 67.6991 174.5337 155 E 4.2559 8.2416 119.8111 57.0585 30.1374 175.9201 156 A 4.3294 8.0533 120.1822 52.2621 20.2822 176.3164 157 W 5.4585 7.6456 114.8620 54.5605 32.6168 175.7593 158 K 4.2694 9.3741 123.3738 59.2853 31.8617 177.6631 159 T 4.6412 7.6818 112.9946 62.9841 72.8528 173.3797 160 G 3.9297 8.7984 111.5019 46.2817 0.0000 172.6551 161 P 4.0006 0.0000 0.0000 64.1166 32.2914 176.4685 162 F 5.0455 7.6606 117.2512 55.1668 41.5123 175.3694 163 C 4.4021 8.3780 119.8849 57.7247 31.5860 174.9514 164 V 3.5096 8.1669 120.1584 65.9869 30.9925 176.9941 165 N 4.3520 8.0482 115.5347 56.5029 38.9845 175.5112 166 H 4.7759 9.0629 113.4865 55.3425 29.5889 174.8031 167 E 4.6454 7.9032 126.1168 56.3220 31.5000 176.6924 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 95 G 8.34 3.91 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 0.00 0.00 0.00 96 S 8.43 4.00 0.00 3.99 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 97 Q 8.34 4.62 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 98 L 8.72 4.08 0.00 1.84 1.75 1.23 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 99 C 7.79 3.91 0.00 2.81 2.89 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 0.00 100 G 7.77 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.67 4.40 0.00 1.90 2.05 0.00 3.03 0.00 0.00 3.63 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.36 0.00 102 V 8.09 4.49 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 0.69 0.00 0.00 0.94 0.00 0.00 103 F 8.82 5.13 0.00 3.00 2.86 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 0.00 104 K 9.16 4.66 0.00 1.79 1.77 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.49 7.81 105 S 8.51 4.30 0.00 3.90 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 0.00 106 G 9.19 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 0.00 0.00 0.00 107 E 7.86 4.12 0.00 2.25 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 2.25 2.31 0.00 108 T 8.39 4.40 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 0.87 0.00 0.00 109 T 8.85 4.59 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 -0.04 0.00 0.00 110 Y 8.97 4.99 0.00 2.64 2.34 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 0.00 111 S 9.42 5.30 0.00 3.81 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 0.00 112 C 8.80 5.26 0.00 3.29 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 9.29 3.98 0.00 1.93 2.03 0.00 3.23 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 114 D 8.46 4.60 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 C 8.14 4.79 0.00 3.30 3.36 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 0.00 116 A 8.30 4.01 1.13 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 0.00 117 I 7.69 3.75 1.72 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 1.22 0.89 0.80 0.00 0.00 118 D 7.19 4.56 0.00 2.74 2.65 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 0.00 119 P 0.00 4.22 0.00 2.03 2.19 0.00 3.61 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 2.06 0.00 120 T 7.81 3.96 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 1.13 0.00 0.00 121 C 7.82 4.46 0.00 2.29 1.76 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 0.00 122 V 9.19 5.00 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 1.03 0.00 0.00 0.88 0.00 0.00 123 L 9.51 5.51 0.00 2.03 1.80 0.96 0.57 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 0.00 124 C 8.98 4.98 0.00 3.46 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.92 4.41 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 3.02 0.00 126 D 8.10 4.39 0.00 2.72 2.76 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 0.00 127 C 8.11 4.31 0.00 3.20 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 0.00 128 F 8.67 3.98 0.00 2.96 2.97 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 0.00 129 Q 8.07 3.86 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.09 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 130 D 7.52 4.78 0.00 2.77 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.40 4.97 0.00 3.77 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 0.00 132 V 7.82 3.51 1.91 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 0.76 0.00 0.00 0.61 0.00 0.00 133 H 7.28 4.21 0.00 3.14 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 6.78 3.25 0.00 1.32 0.87 0.00 1.33 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.18 7.81 135 N 7.65 4.86 0.00 2.67 2.87 0.00 0.00 6.85 8.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 H 7.90 5.08 0.00 3.46 3.56 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 9.26 4.41 0.00 1.88 1.92 0.00 3.11 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 138 Y 8.03 5.28 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 0.00 139 K 9.14 4.67 0.00 1.83 1.67 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.32 7.81 140 M 8.56 4.51 0.00 1.50 1.78 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 141 H 8.92 4.79 0.00 2.91 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.26 4.66 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 1.20 0.00 0.00 143 S 9.17 4.23 0.00 3.66 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 0.00 144 T 8.55 4.20 4.24 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 0.00 0.00 1.19 0.00 0.00 145 G 7.66 4.08 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 0.00 0.00 0.00 146 G 8.69 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 0.00 0.00 0.00 147 G 7.93 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 0.00 0.00 0.00 0.00 148 F 7.67 4.91 0.00 2.83 2.83 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 0.00 0.00 0.00 149 C 8.10 4.50 0.00 3.12 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 0.00 150 D 9.47 4.95 0.00 3.26 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 0.00 151 C 8.21 3.96 0.00 2.99 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 0.00 152 G 9.21 3.43 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 0.00 0.00 0.00 0.00 153 D 8.29 4.50 0.00 2.83 2.83 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 0.00 0.00 0.00 154 T 8.33 4.05 4.22 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 1.25 0.00 0.00 155 E 8.24 4.26 0.00 1.99 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 2.26 2.28 0.00 156 A 8.05 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 W 7.65 5.46 0.00 3.20 3.28 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 0.00 158 K 9.37 4.27 0.00 1.76 1.93 0.00 1.57 0.00 0.00 2.03 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.48 7.81 159 T 7.68 4.64 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 1.30 0.00 0.00 160 G 8.80 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 0.00 161 P 0.00 4.00 0.00 1.57 2.29 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 162 F 7.66 5.05 0.00 2.94 2.94 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 0.00 163 C 8.38 4.40 0.00 3.26 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 8.17 3.51 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 0.76 0.00 0.00 0.91 0.00 0.00 165 N 8.05 4.35 0.00 2.64 2.67 0.00 0.00 6.90 7.89 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 0.00 166 H 9.06 4.78 0.00 3.26 3.43 0.00 6.03 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 E 7.90 4.65 0.00 1.66 1.30 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 1.92 1.79 0.00