NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 99 S 4.4735 8.3344 115.4126 57.2354 65.3936 172.8948 100 D 4.5254 7.7355 120.0569 50.6167 45.2462 173.6808 101 L 4.0245 9.1345 130.1319 58.3211 43.4615 178.2601 102 A 3.9796 8.2445 119.6344 55.6863 18.1878 178.3585 103 C 4.3155 8.4082 110.9360 60.3274 28.0540 173.5448 104 R 3.7897 7.8246 117.3595 58.0108 29.4534 177.1975 105 L 3.6210 8.6502 124.2250 55.0748 39.3325 175.6066 106 L 4.0953 7.8899 121.4370 57.7662 42.1344 179.6110 107 G 3.9323 8.2370 105.2180 48.1440 0.0000 175.0033 108 Q 3.9685 7.4862 119.0073 59.2631 29.2481 179.4372 109 S 4.4502 7.9039 114.3969 61.0250 63.3044 176.3223 110 M 4.0587 8.0161 120.7331 58.4905 31.7023 177.7346 111 D 4.6723 7.8140 117.1671 56.5294 42.0070 176.5929 112 E 4.1258 7.8087 118.6578 56.5729 27.7456 175.8837 113 S 4.1023 8.6152 123.0046 58.6949 60.8762 172.5639 114 G 4.3326 6.3382 113.4144 44.3800 0.0000 171.6661 115 L 4.6577 7.2153 119.8140 51.2461 44.6941 175.3726 116 P 4.6222 0.0000 0.0000 62.3290 33.3805 176.1020 117 Q 4.6328 8.0463 114.5270 54.7865 28.2112 175.1329 118 L 4.3302 7.4877 118.8806 54.8005 43.1958 177.0283 119 T 4.7998 7.9464 109.6402 58.9197 73.2230 174.7997 120 S 4.0991 8.6557 115.9888 62.0659 62.6193 175.5967 121 Y 3.9579 8.1661 123.1119 60.3152 38.3797 177.5709 122 D 4.4222 8.1630 118.8085 57.7991 40.9746 178.8883 123 C 4.0875 8.2136 116.8088 62.8828 27.9466 175.9037 124 E 3.8766 8.1469 119.0811 59.4490 29.1337 179.4725 125 V 3.5390 7.3694 116.6732 66.1038 31.6832 177.5863 126 N 4.5796 8.0739 114.6035 54.8826 39.7832 175.6467 127 A 4.6204 7.8795 122.0817 48.7907 18.9093 172.9113 128 P 4.3266 0.0000 0.0000 61.9114 32.3701 176.8949 129 I 3.7576 8.1940 123.6958 61.0055 37.5414 175.8839 130 Q 3.9145 8.5157 126.6055 57.4450 29.6872 174.4667 131 G 3.8470 9.3777 116.9341 45.1792 0.0000 173.6746 132 S 4.6597 8.0005 112.5342 55.9199 67.7189 174.4717 133 R 4.0796 8.4576 123.5379 56.4993 30.5761 175.7372 134 N 4.8033 8.1378 118.4100 53.0234 41.4534 173.7442 135 L 4.4629 8.0988 117.0984 52.8109 43.2961 174.8811 136 L 4.0058 8.3519 125.3374 55.1175 42.4056 176.2603 137 Q 4.5687 8.1516 122.5633 55.1535 32.7799 176.4763 138 G 3.6289 8.4830 106.1272 46.3147 0.0000 175.6091 139 E 3.8857 8.9838 119.7200 59.7682 29.3221 178.7420 140 E 3.9944 8.3022 117.6715 59.4794 29.3260 178.9791 141 L 3.9702 7.9385 118.9581 57.9840 41.7101 179.4016 142 L 3.9776 7.8726 117.9576 57.9535 41.6320 179.7029 143 R 3.8909 7.9867 117.5923 59.2169 29.8173 178.9230 144 A 4.0838 7.9974 119.2687 55.3474 18.7602 179.4744 145 L 4.0635 8.2519 117.7189 57.8281 41.7190 179.3104 146 D 4.3508 8.3653 118.6340 57.1218 40.9815 177.9880 147 Q 4.1055 7.5431 115.6606 58.7768 28.3695 178.5774 148 V 3.7135 7.1729 119.7348 65.7374 31.6026 175.1670 149 N 4.4596 7.8602 119.3749 53.2516 36.9594 174.3736 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 99 S 8.33 4.47 0.00 3.99 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 0.00 100 D 7.74 4.53 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.13 4.02 0.00 1.68 1.64 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.24 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 C 8.41 4.32 0.00 3.16 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 0.00 104 R 7.82 3.79 0.00 1.94 2.12 0.00 3.58 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 105 L 8.65 3.62 0.00 1.80 1.72 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.89 4.10 0.00 1.67 1.73 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.24 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 0.00 108 Q 7.49 3.97 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 109 S 7.90 4.45 0.00 3.86 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 0.00 110 M 8.02 4.06 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 111 D 7.81 4.67 0.00 2.80 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 0.00 112 E 7.81 4.13 0.00 2.17 1.92 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 2.34 2.28 0.00 113 S 8.62 4.10 0.00 4.03 4.02 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 0.00 114 G 6.34 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 0.00 115 L 7.22 4.66 0.00 1.60 1.56 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.62 0.00 2.18 2.09 0.00 3.71 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 1.98 1.98 0.00 117 Q 8.05 4.63 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.08 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 118 L 7.49 4.33 0.00 1.65 1.63 0.93 0.89 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 0.00 119 T 7.95 4.80 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 1.24 0.00 0.00 120 S 8.66 4.10 0.00 4.28 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 0.00 121 Y 8.17 3.96 0.00 3.14 3.04 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 0.00 0.00 0.00 122 D 8.16 4.42 0.00 3.11 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 0.00 123 C 8.21 4.09 0.00 3.15 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 0.00 124 E 8.15 3.88 0.00 1.98 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 2.31 2.40 0.00 125 V 7.37 3.54 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 0.82 0.00 0.00 0.20 0.00 0.00 126 N 8.07 4.58 0.00 2.82 2.84 0.00 0.00 7.09 7.09 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 0.00 127 A 7.88 4.62 1.18 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 0.00 128 P 0.00 4.33 0.00 2.02 1.98 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 129 I 8.19 3.76 1.86 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 1.29 0.45 0.90 0.00 0.00 130 Q 8.52 3.91 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.74 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 131 G 9.38 3.85 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 0.00 0.00 0.00 132 S 8.00 4.66 0.00 3.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.46 4.08 0.00 1.79 1.85 0.00 3.15 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 134 N 8.14 4.80 0.00 2.61 2.67 0.00 0.00 6.84 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.10 4.46 0.00 1.61 1.55 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.35 4.01 0.00 1.60 1.59 0.96 0.73 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 0.00 137 Q 8.15 4.57 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 5.88 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 138 G 8.48 3.63 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 0.00 0.00 0.00 139 E 8.98 3.89 0.00 2.04 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 2.38 2.43 0.00 140 E 8.30 3.99 0.00 2.27 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 2.40 2.48 0.00 141 L 7.94 3.97 0.00 1.82 1.72 0.98 0.68 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 0.00 142 L 7.87 3.98 0.00 1.68 1.72 0.92 0.91 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 0.00 143 R 7.99 3.89 0.00 2.03 1.98 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 144 A 8.00 4.08 1.35 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 0.00 0.00 0.00 145 L 8.25 4.06 0.00 1.83 1.73 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.37 4.35 0.00 2.95 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 0.00 147 Q 7.54 4.11 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 148 V 7.17 3.71 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 0.96 0.00 0.00 0.96 0.00 0.00 149 N 7.86 4.46 0.00 2.89 2.81 0.00 0.00 7.19 6.87 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