NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4424 8.2931 118.1944 55.2106 32.4966 173.6988 102 G 4.0878 8.2059 107.3510 42.0831 0.0000 170.2088 103 S 4.8390 8.3234 113.9577 56.0948 66.0950 171.8849 104 I 4.6009 8.0434 114.8879 59.0117 40.4146 173.8346 105 N 4.8567 8.5776 119.4960 51.6939 40.2384 173.6892 106 L 4.8123 8.3896 126.6465 53.2022 44.7561 175.5868 107 R 4.5796 8.4084 122.7926 54.5067 33.1711 174.4705 108 I 4.7005 8.0040 114.9720 57.7951 41.2214 174.6401 109 D 4.4058 8.4124 119.5953 54.2091 42.6215 176.2573 110 D 4.3067 8.7361 125.5756 57.3672 41.3032 178.3435 111 E 3.9812 8.5097 118.3613 59.0876 29.5014 179.0220 112 L 4.0497 7.7575 120.8261 57.7317 42.3614 178.2551 113 K 4.0608 8.2251 120.7395 58.7758 31.9575 178.3776 114 A 3.9359 7.9346 120.7398 55.2577 18.3606 179.8719 115 R 3.9031 7.6254 115.2937 59.3236 30.0716 179.2658 116 S 4.1777 8.2688 114.0192 62.0256 62.9639 176.0841 117 Y 3.9925 8.6314 121.0944 60.2471 37.0858 178.6356 118 A 4.0383 8.2963 121.4227 55.0804 18.3486 179.6083 119 A 3.9750 8.1924 119.4390 55.2747 18.4568 179.9165 120 L 3.9655 7.9805 118.7473 58.7967 40.1328 179.1598 121 E 3.9844 8.4692 118.5013 58.4988 29.3610 179.0737 122 K 4.0821 7.5356 118.6047 59.8242 33.0635 178.4827 123 M 4.2987 7.7027 117.9459 55.6789 32.0049 177.2967 124 G 3.8363 7.4641 106.5567 45.4974 0.0000 173.1040 125 V 4.1387 7.6387 119.6242 60.8983 32.6785 176.0713 126 T 3.9888 8.3179 124.3804 62.7604 69.3317 173.1397 127 P 3.9709 0.0000 0.0000 66.4456 31.0399 178.8270 128 S 4.1206 8.0622 114.4150 61.1839 62.5823 176.5863 129 E 3.9642 8.1965 120.9302 59.2079 29.2682 178.8674 130 A 3.9730 7.9050 120.2855 55.3174 18.4072 179.5451 131 L 4.0217 7.9923 117.4264 57.5146 41.5411 179.5521 132 R 3.8928 7.7581 118.6450 59.4474 29.9665 178.6442 133 L 4.6938 8.1247 120.6305 58.0912 40.4715 178.8728 134 M 4.3864 7.8417 119.4571 58.8360 32.3316 178.1773 135 L 3.9724 8.0277 118.9759 57.5186 41.7816 179.5041 136 E 3.9708 7.9303 119.0070 59.5906 29.3840 178.9239 137 Y 4.2188 7.8782 117.7868 59.9228 38.0324 177.8540 138 I 3.1298 7.1170 120.2718 63.5740 37.7902 177.7799 139 A 3.9018 7.4849 120.3300 54.9874 18.2509 178.6860 140 D 4.4246 7.9449 115.6304 56.9975 41.5003 177.7235 141 N 4.5587 8.4257 116.1103 53.6321 39.0711 175.3534 142 E 3.9583 8.3820 117.7831 57.0327 27.9691 175.7547 143 R 4.3297 7.6325 112.6754 55.7411 32.4407 174.8731 144 L 4.0448 8.0923 119.0476 52.6937 41.0935 172.6494 145 P 4.0150 0.0000 0.0000 65.2528 31.3182 176.6783 146 F 4.6844 7.8124 117.2433 55.8673 41.5384 175.1214 147 K 4.6278 8.4564 129.8808 55.1113 32.5502 177.0779 148 Q 3.8996 8.1691 115.2457 58.3639 29.3368 178.8479 149 T 4.2653 8.3662 120.3486 62.9085 66.9151 174.3122 150 L 4.2914 7.5309 126.2438 55.0442 42.2562 175.6631 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 101 M 8.29 4.44 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 102 G 8.21 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 0.00 103 S 8.32 4.84 0.00 3.97 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 0.00 104 I 8.04 4.60 1.88 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 1.31 0.62 0.91 0.00 0.00 105 N 8.58 4.86 0.00 2.67 2.75 0.00 0.00 6.75 7.79 0.00 0.00 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 L 8.39 4.81 0.00 1.63 1.54 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.41 4.58 0.00 1.78 1.78 0.00 3.21 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 108 I 8.00 4.70 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 0.94 0.00 0.00 109 D 8.41 4.41 0.00 2.72 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 0.00 110 D 8.74 4.31 0.00 2.78 2.62 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 0.00 111 E 8.51 3.98 0.00 2.24 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 0.00 2.56 2.31 0.00 112 L 7.76 4.05 0.00 1.78 1.86 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.23 4.06 0.00 1.74 1.84 0.00 1.05 0.00 0.00 0.66 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.67 1.06 7.81 114 A 7.93 3.94 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 0.00 115 R 7.63 3.90 0.00 2.14 2.02 0.00 3.18 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 116 S 8.27 4.18 0.00 4.18 4.23 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 0.00 117 Y 8.63 3.99 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 118 A 8.30 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 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 0.00 120 L 7.98 3.97 0.00 1.99 1.88 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.47 3.98 0.00 2.28 2.27 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 2.39 2.56 0.00 122 K 7.54 4.08 0.00 1.97 2.14 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.47 7.81 123 M 7.70 4.30 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.54 0.00 124 G 7.46 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 0.00 125 V 7.64 4.14 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 0.78 0.00 0.00 0.96 0.00 0.00 126 T 8.32 3.99 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 1.22 0.00 0.00 127 P 0.00 3.97 0.00 1.92 1.46 0.00 3.64 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 1.99 1.93 0.00 128 S 8.06 4.12 0.00 3.86 3.96 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 0.00 129 E 8.20 3.96 0.00 2.15 1.97 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 2.30 2.45 0.00 130 A 7.91 3.97 1.26 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 0.00 131 L 7.99 4.02 0.00 1.71 1.73 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.76 3.89 0.00 1.99 2.06 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 133 L 8.12 4.69 0.00 1.99 1.93 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 134 M 7.84 4.39 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.97 0.00 135 L 8.03 3.97 0.00 1.89 1.67 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 136 E 7.93 3.97 0.00 2.19 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 2.34 2.59 0.00 137 Y 7.88 4.22 0.00 3.14 3.20 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 0.00 0.00 0.00 0.00 138 I 7.12 3.13 1.27 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.77 0.00 0.00 139 A 7.48 3.90 1.34 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 0.00 0.00 140 D 7.94 4.42 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.43 4.56 0.00 2.88 2.92 0.00 0.00 7.32 8.21 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 0.00 142 E 8.38 3.96 0.00 2.05 1.99 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 2.22 2.33 0.00 143 R 7.63 4.33 0.00 1.85 1.97 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 144 L 8.09 4.04 0.00 1.87 1.83 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.02 0.00 1.56 1.95 0.00 3.91 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 146 F 7.81 4.68 0.00 3.09 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 0.00 147 K 8.46 4.63 0.00 1.86 2.09 0.00 1.62 0.00 0.00 1.96 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 148 Q 8.17 3.90 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.90 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 149 T 8.37 4.27 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 150 L 7.53 4.29 0.00 1.56 1.51 0.92 0.94 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