NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3283 8.3049 120.3487 55.2682 33.2910 173.5667 102 K 4.1738 8.5766 118.5206 54.1443 33.1661 173.9518 103 Q 4.2959 8.6526 126.3695 53.9994 30.5558 174.9566 104 R 4.1065 8.4866 127.2082 55.5949 29.4124 175.1034 105 I 4.2337 8.0934 119.7273 59.5049 38.9354 175.4001 106 T 4.3203 8.3453 114.4896 59.6853 70.3583 173.9564 107 V 4.0522 8.0872 127.4890 59.7518 30.9928 176.1644 108 T 4.1539 7.9276 116.8740 61.7800 67.8259 175.8148 109 V 4.0437 7.2623 135.0000 61.8861 30.5527 178.7051 110 D 4.8083 9.7069 117.2547 54.4123 39.7586 172.4689 111 S 4.5285 7.1675 110.8649 59.9398 65.0925 175.1112 112 D 4.0971 7.2076 118.4123 56.5928 41.5609 177.4855 113 S 5.8473 7.2595 127.5863 59.0974 66.4418 178.8792 114 Y 4.2860 7.6514 123.3899 60.9386 39.2328 175.5804 115 Q 3.2023 8.1781 118.3838 58.8159 28.6857 179.0188 116 L 3.8058 7.7004 120.5053 57.9906 42.2717 178.2036 117 L 3.7397 7.8596 119.9856 58.2949 41.7902 179.0605 118 K 3.7888 7.2954 117.7221 59.3124 32.4681 178.8257 119 A 3.8572 7.8111 121.9609 54.6463 18.2029 178.6741 120 Y 4.4423 7.8595 115.4848 58.0370 38.7974 176.8701 121 D 5.6584 6.0500 134.3282 54.6136 44.7564 176.6959 122 V 4.4399 6.4244 120.6268 60.8422 32.1406 175.7303 123 N 4.6171 8.1584 128.9170 54.0883 36.9822 175.4041 124 I 2.9284 7.7673 108.1174 62.1249 38.2543 176.2290 125 S 4.2710 8.6531 116.0475 62.0823 62.1049 176.3791 126 G 3.4897 8.0038 107.3391 46.8025 0.0000 175.0517 127 L 3.9492 7.7982 122.4235 58.3057 41.8996 178.3401 128 V 3.7066 8.7147 118.6656 66.6067 31.2150 177.9201 129 S 4.2001 7.9730 113.0589 62.1361 62.6867 177.0225 130 T 3.9400 7.8627 118.8096 66.8666 68.1601 176.7593 131 T 3.9386 8.7843 118.5686 67.0543 68.2741 176.1688 132 M 4.4051 9.2072 121.4357 58.5428 32.0926 178.6236 133 Q 4.1858 7.8980 116.8951 59.5473 28.5576 178.5503 134 N 4.3112 8.0088 118.0365 56.1187 38.6930 177.4413 135 E 4.0687 9.3142 120.5713 59.0322 29.2147 179.5168 136 A 3.9895 8.7084 121.6117 55.1392 18.5840 179.6997 137 R 3.9915 8.2487 115.6109 59.5392 30.3757 178.8930 138 R 4.0442 8.3816 117.3874 56.7999 31.6301 176.2122 139 L 3.5945 7.6267 116.5541 53.7732 39.7867 173.2853 140 R 4.5983 6.7254 125.6860 54.4969 30.4217 174.6716 141 A 4.3261 6.9549 122.0271 51.0844 21.5501 174.8881 142 E 4.7416 8.3869 119.3699 54.9895 33.9151 174.9981 143 R 3.8854 7.7794 114.2674 54.8017 32.5198 174.7743 144 W 5.1147 7.4986 121.6177 55.9540 31.4500 172.4095 145 K 4.8167 8.5674 120.7299 55.8639 34.9890 175.6898 146 V 3.7333 8.5849 112.3297 62.5177 31.9145 175.9889 147 E 3.9137 9.0965 121.3671 58.3591 29.2563 177.6558 148 N 4.3829 8.2533 114.4615 53.7470 37.5316 173.1716 149 Q 4.5659 7.3885 112.9021 53.6533 32.9639 174.7299 150 E 4.2287 8.7361 121.4537 56.0182 30.3837 177.6340 151 G 3.8656 8.3266 112.8734 44.0917 0.0000 172.7578 152 M 4.6139 7.9084 127.2699 54.0181 31.9769 175.0611 153 V 4.4195 7.2972 118.9273 60.7548 35.2959 174.4967 154 E 4.7114 8.4920 123.7159 55.0639 33.0914 176.3975 155 V 4.4568 7.8572 116.9756 61.2344 31.1334 175.8763 156 A 3.7551 9.0413 114.7145 52.2785 15.0869 178.4831 157 R 4.3925 8.1668 114.8860 57.9157 29.5288 177.0561 158 F 4.5909 8.3914 123.6982 56.9394 40.2660 172.0909 159 I 4.6764 7.5748 123.0862 62.0689 43.5719 175.0757 160 E 4.0564 7.9844 120.0249 56.0008 29.9289 176.0706 161 M 4.1976 7.7470 123.9553 55.8033 34.4128 173.0675 162 N 4.1372 8.3298 121.6464 52.8991 42.1822 171.9969 163 G 3.8998 8.3630 105.1803 44.1736 0.0000 173.0372 164 S 4.4811 7.5105 116.7398 57.5145 65.1885 173.9305 165 F 4.2599 8.0613 120.7866 57.6440 41.5070 172.8071 166 A 4.5097 8.7653 130.2169 50.3256 20.5414 174.7302 167 D 4.6346 8.7455 122.5517 54.9431 41.6193 176.1458 168 E 4.8601 8.3536 127.6422 55.3306 31.8080 174.5813 169 N 4.3569 7.3928 124.0610 52.2383 40.5277 175.9897 170 K 4.9082 8.6851 128.8166 56.1747 33.7299 172.6874 171 D 4.6601 7.9782 117.1282 55.1738 38.7249 174.0811 172 W 3.6103 8.2481 132.5787 57.3772 31.6492 173.8235 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 8.30 4.33 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 102 K 8.58 4.17 0.00 1.83 1.72 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.43 7.81 103 Q 8.65 4.30 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.15 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 104 R 8.49 4.11 0.00 1.80 1.85 0.00 3.26 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 105 I 8.09 4.23 1.86 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 1.46 0.74 0.96 0.00 0.00 106 T 8.35 4.32 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 1.21 0.00 0.00 107 V 8.09 4.05 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 0.69 0.00 0.00 0.91 0.00 0.00 108 T 7.93 4.15 4.20 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 1.17 0.00 0.00 109 V 7.26 4.04 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 1.26 0.00 0.00 0.88 0.00 0.00 110 D 9.71 4.81 0.00 2.88 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 0.00 111 S 7.17 4.53 0.00 3.81 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 0.00 112 D 7.21 4.10 0.00 2.68 2.66 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 0.00 113 S 7.26 5.85 0.00 3.94 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 0.00 114 Y 7.65 4.29 0.00 3.05 2.93 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 0.00 115 Q 8.18 3.20 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 116 L 7.70 3.81 0.00 1.69 1.68 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.86 3.74 0.00 1.70 1.45 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.30 3.79 0.00 1.91 1.75 0.00 1.35 0.00 0.00 1.34 0.00 0.00 2.69 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.46 1.15 7.81 119 A 7.81 3.86 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 0.00 120 Y 7.86 4.44 0.00 3.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.05 5.66 0.00 3.21 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 0.00 122 V 6.42 4.44 1.67 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 0.78 0.00 0.00 1.10 0.00 0.00 123 N 8.16 4.62 0.00 2.82 2.84 0.00 0.00 6.94 7.31 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 0.00 124 I 7.77 2.93 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.99 0.00 0.00 125 S 8.65 4.27 0.00 3.86 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 0.00 126 G 8.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 3.95 0.00 1.75 1.76 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.71 3.71 2.24 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 1.09 0.00 0.00 0.96 0.00 0.00 129 S 7.97 4.20 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.86 3.94 4.46 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 1.21 0.00 0.00 131 T 8.78 3.94 4.51 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 1.25 0.00 0.00 132 M 9.21 4.41 0.00 1.85 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.88 0.00 133 Q 7.90 4.19 0.00 2.32 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 134 N 8.01 4.31 0.00 3.00 2.99 0.00 0.00 7.17 7.81 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 0.00 135 E 9.31 4.07 0.00 1.98 2.03 0.00 0.00 0.00 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 2.51 0.00 136 A 8.71 3.99 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 0.00 137 R 8.25 3.99 0.00 1.93 2.02 0.00 3.34 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 138 R 8.38 4.04 0.00 2.00 2.12 0.00 3.85 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 139 L 7.63 3.59 0.00 1.72 1.65 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 140 R 6.73 4.60 0.00 1.97 1.92 0.00 3.16 0.00 0.00 3.22 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.38 0.00 141 A 6.95 4.33 1.17 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 0.00 142 E 8.39 4.74 0.00 1.88 1.79 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 0.00 2.26 2.33 0.00 143 R 7.78 3.89 0.00 1.58 1.59 0.00 3.04 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 1.39 1.49 0.00 144 W 7.50 5.11 0.00 3.40 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 0.00 145 K 8.57 4.82 0.00 1.77 1.77 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 146 V 8.58 3.73 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 0.74 0.00 0.00 0.95 0.00 0.00 147 E 9.10 3.91 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 148 N 8.25 4.38 0.00 2.97 2.87 0.00 0.00 6.71 7.07 0.00 0.00 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 Q 7.39 4.57 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 150 E 8.74 4.23 0.00 1.94 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 2.29 2.29 0.00 151 G 8.33 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 0.00 152 M 7.91 4.61 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 153 V 7.30 4.42 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.90 0.00 0.00 154 E 8.49 4.71 0.00 2.12 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 2.21 2.29 0.00 155 V 7.86 4.46 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 1.37 0.00 0.00 0.97 0.00 0.00 156 A 9.04 3.76 1.43 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 0.00 157 R 8.17 4.39 0.00 1.95 2.16 0.00 2.60 0.00 0.00 3.73 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 158 F 8.39 4.59 0.00 3.17 2.92 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 0.00 159 I 7.57 4.68 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.93 0.00 0.00 160 E 7.98 4.06 0.00 1.91 1.81 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 2.27 2.29 0.00 161 M 7.75 4.20 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 162 N 8.33 4.14 0.00 2.60 2.66 0.00 0.00 7.33 7.96 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 0.00 163 G 8.36 3.90 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 0.00 0.00 0.00 164 S 7.51 4.48 0.00 3.77 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 0.00 165 F 8.06 4.26 0.00 3.04 2.78 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 0.00 0.00 0.00 0.00 166 A 8.77 4.51 1.25 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 0.00 0.00 0.00 167 D 8.75 4.63 0.00 2.68 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 0.00 168 E 8.35 4.86 0.00 1.91 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 2.19 2.35 0.00 169 N 7.39 4.36 0.00 2.79 1.96 0.00 0.00 6.66 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 0.00 170 K 8.69 4.91 0.00 1.78 1.91 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.30 7.81 171 D 7.98 4.66 0.00 2.80 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 0.00 172 W 8.25 3.61 0.00 3.47 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