NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.3720 8.1627 120.6114 55.3922 34.2106 173.9290 102 L 5.0303 8.5577 127.2935 51.7358 43.1483 173.6884 103 I 4.5303 9.2366 121.5104 59.0102 41.3641 174.1082 104 K 5.1037 8.3097 122.5369 54.7045 34.9119 175.7937 105 V 4.4845 8.5213 125.8613 58.9425 31.9301 173.9619 106 K 3.8829 8.5616 129.3939 57.6854 33.2513 176.5213 107 T 4.2534 8.4851 122.9603 61.6443 69.0228 174.0018 108 L 4.5593 8.3921 124.2031 55.5255 40.8552 177.1144 109 T 4.5847 7.3521 104.8713 60.7857 69.5797 174.1601 110 G 4.1738 8.0101 108.0052 46.9788 0.0000 175.7339 111 K 3.7979 7.5783 122.4831 58.3528 32.1602 173.6944 112 E 3.5742 8.1692 126.4083 55.7598 27.0719 172.6010 113 I 4.4720 7.6893 118.3227 59.1256 40.5271 174.0153 114 E 5.0130 8.5759 124.2680 55.0075 31.3953 174.9573 115 I 4.7309 9.3154 126.4742 59.7286 42.1908 174.0825 116 D 5.1978 8.6650 124.4301 53.1196 41.7555 176.0980 117 I 4.6687 8.8030 124.6159 59.5637 41.0879 174.9596 118 E 4.5303 8.8557 125.9949 54.1701 31.0553 175.6964 119 P 4.6637 0.0000 0.0000 61.9523 30.8762 176.7673 120 T 4.7397 9.7598 107.6433 62.3850 72.2050 173.0040 121 D 4.4826 8.0870 122.4050 54.0973 41.4683 176.0018 122 K 4.3980 8.6309 123.7278 56.6782 33.0276 177.8212 123 V 3.5810 9.4223 122.7910 66.5080 30.8164 177.9998 124 E 3.8383 7.7512 117.6626 59.7783 29.3254 179.0712 125 R 3.9674 8.1280 118.3632 59.2519 29.7733 178.2557 126 I 3.7081 7.9591 119.9840 64.3881 36.9609 178.5743 127 K 3.9917 7.9195 118.7278 59.5280 31.9925 179.0016 128 E 4.0061 7.7815 117.9428 59.5396 29.1648 179.7362 129 R 3.8953 8.0993 118.1371 59.0643 30.0600 179.3091 130 V 3.5363 7.3967 117.5635 66.0692 31.5528 177.6885 131 E 4.0247 8.5300 119.4726 59.1621 29.1181 178.4236 132 E 3.8978 8.2041 118.9287 59.2932 29.8473 178.6276 133 K 4.1969 7.7134 116.8142 58.1225 32.3766 178.1140 134 E 4.6336 8.7744 116.7182 54.8436 31.2303 176.5760 135 G 3.7194 8.2129 106.8180 46.3877 0.0000 173.9143 136 I 4.1281 7.6091 121.3053 58.4471 36.9874 173.7400 137 P 4.3257 0.0000 0.0000 62.3868 31.9248 175.9697 138 P 4.2877 0.0000 0.0000 65.6469 31.7081 178.3678 139 Q 4.0347 8.3294 116.5877 58.7103 28.6014 178.4654 140 Q 4.6678 7.6838 113.8634 56.1399 29.2353 175.1833 141 Q 4.6097 7.7361 116.4262 55.3248 31.3810 176.1584 142 R 4.5074 8.1365 119.6814 54.3506 33.1730 174.4099 143 L 4.7926 8.3143 124.1447 54.4958 43.7690 176.5971 144 I 4.7349 8.7089 122.3036 60.2073 41.2121 173.4696 145 Y 4.7656 8.5452 129.8197 56.7496 39.9771 176.3659 146 S 3.2912 9.5007 116.8497 59.5381 60.8709 170.1184 147 G 3.9834 7.6178 119.0673 46.3129 0.0000 171.4341 148 K 3.8120 7.6277 117.9558 56.3023 32.8252 175.7099 149 Q 4.8555 8.4443 120.8537 54.4543 29.9631 175.1616 150 M 3.0591 7.7934 123.9328 55.8699 32.8931 175.5856 151 N 4.8517 9.7947 123.0820 51.4760 40.2873 175.9676 152 D 4.7811 8.7844 123.7508 53.8959 38.8584 177.0966 153 E 4.5315 8.6752 121.3199 56.6257 31.7792 175.8770 154 K 4.4518 7.7958 117.5875 55.4377 34.5434 174.8815 155 T 4.9108 8.4274 112.5281 60.2872 70.2130 175.0333 156 A 4.0035 8.5621 129.2400 55.5870 18.8598 180.2842 157 A 4.0280 8.1189 118.0375 55.3566 18.7318 179.0734 158 D 4.4313 8.0310 115.1534 57.3900 40.9071 177.3955 159 Y 4.5385 7.9242 113.2439 57.1638 38.1633 175.4639 160 K 3.9677 8.5884 118.2201 57.4078 29.9908 175.8974 161 I 3.6633 7.7127 120.4212 61.1309 37.3853 175.8674 162 L 4.7574 8.1478 124.2518 53.9355 46.6884 177.6261 163 G 3.9121 8.4397 110.5054 47.0353 0.0000 175.0928 164 G 3.9429 8.4814 107.8049 45.3097 0.0000 173.4249 165 S 4.4789 7.7734 114.7414 57.9041 64.9217 173.8784 166 V 4.5180 8.5041 122.7525 61.6862 32.6607 174.7888 167 L 4.9317 8.8386 128.0490 53.5110 44.6282 175.0405 168 H 5.3527 8.7094 118.5539 53.9588 31.9252 173.2472 169 L 4.8193 8.6298 123.8533 54.6951 42.4018 176.4997 170 V 4.6182 8.3520 121.5036 60.8474 35.0745 173.6524 171 L 4.4223 8.2309 119.7539 54.0075 44.5989 173.5482 172 A 4.8239 8.4003 125.7647 50.2049 21.4469 175.8513 173 L 4.8604 8.1742 120.6468 53.0369 44.8487 177.2299 174 R 4.0464 8.7116 121.3043 59.0362 30.4380 177.6025 175 G 3.8511 7.9435 104.4271 45.7712 0.0000 173.4211 176 G 3.7452 8.2239 106.9480 46.2606 0.0000 173.5736 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 8.16 4.37 0.00 2.44 1.98 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 102 L 8.56 5.03 0.00 1.71 1.55 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 103 I 9.24 4.53 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.57 0.92 0.00 0.00 104 K 8.31 5.10 0.00 1.64 1.70 0.00 1.60 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.32 7.81 105 V 8.52 4.48 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 0.69 0.00 0.00 0.94 0.00 0.00 106 K 8.56 3.88 0.00 1.76 1.70 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.40 7.81 107 T 8.49 4.25 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 1.31 0.00 0.00 108 L 8.39 4.56 0.00 1.63 1.63 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.35 4.58 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 1.21 0.00 0.00 110 G 8.01 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 0.00 0.00 0.00 0.00 111 K 7.58 3.80 0.00 1.90 1.85 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 112 E 8.17 3.57 0.00 2.14 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 2.16 2.26 0.00 113 I 7.69 4.47 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 1.33 0.84 0.92 0.00 0.00 114 E 8.58 5.01 0.00 1.98 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 2.20 2.30 0.00 115 I 9.32 4.73 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.89 0.00 0.00 116 D 8.67 5.20 0.00 2.54 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.67 1.84 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 1.21 0.57 0.89 0.00 0.00 118 E 8.86 4.53 0.00 2.19 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 2.25 2.40 0.00 119 P 0.00 4.66 0.00 2.03 2.08 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 120 T 9.76 4.74 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 1.21 0.00 0.00 121 D 8.09 4.48 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 4.40 0.00 1.83 1.77 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.45 7.81 123 V 9.42 3.58 2.22 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 1.06 0.00 0.00 1.18 0.00 0.00 124 E 7.75 3.84 0.00 2.44 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 2.33 2.37 0.00 125 R 8.13 3.97 0.00 1.93 1.97 0.00 3.35 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 126 I 7.96 3.71 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.02 0.86 0.00 0.00 127 K 7.92 3.99 0.00 1.98 1.84 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 128 E 7.78 4.01 0.00 2.19 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 2.33 2.54 0.00 129 R 8.10 3.90 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 130 V 7.40 3.54 2.33 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 1.03 0.00 0.00 0.98 0.00 0.00 131 E 8.53 4.02 0.00 2.18 2.07 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 2.30 2.32 0.00 132 E 8.20 3.90 0.00 2.13 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 0.00 2.32 2.35 0.00 133 K 7.71 4.20 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 134 E 8.77 4.63 0.00 1.96 1.95 0.00 0.00 0.00 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 2.41 0.00 135 G 8.21 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.61 4.13 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 1.41 0.63 0.91 0.00 0.00 137 P 0.00 4.33 0.00 2.17 2.03 0.00 3.61 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 138 P 0.00 4.29 0.00 2.17 2.11 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 139 Q 8.33 4.03 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.56 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 140 Q 7.68 4.67 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 141 Q 7.74 4.61 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.45 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 142 R 8.14 4.51 0.00 1.82 1.81 0.00 3.28 0.00 0.00 3.33 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 143 L 8.31 4.79 0.00 1.53 1.50 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.71 4.73 2.00 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 1.10 0.65 0.96 0.00 0.00 145 Y 8.55 4.77 0.00 2.80 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 0.00 146 S 9.50 3.29 0.00 3.86 3.51 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 0.00 147 G 7.62 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.63 3.81 0.00 2.05 1.98 0.00 1.85 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.57 7.81 149 Q 8.44 4.86 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 150 M 7.79 3.06 0.00 1.67 1.87 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.31 0.00 151 N 9.79 4.85 0.00 2.90 2.89 0.00 0.00 6.60 8.51 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 0.00 152 D 8.78 4.78 0.00 2.88 2.88 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 0.00 153 E 8.68 4.53 0.00 1.91 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 0.00 2.21 2.29 0.00 154 K 7.80 4.45 0.00 2.00 1.79 0.00 1.33 0.00 0.00 1.32 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.42 7.81 155 T 8.43 4.91 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 1.32 0.00 0.00 156 A 8.56 4.00 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 0.00 157 A 8.12 4.03 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 0.00 158 D 8.03 4.43 0.00 2.78 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.92 4.54 0.00 2.99 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 0.00 160 K 8.59 3.97 0.00 2.07 2.05 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.46 7.81 161 I 7.71 3.66 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.47 0.63 0.00 0.00 162 L 8.15 4.76 0.00 1.67 1.50 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.44 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 0.00 164 G 8.48 3.94 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 0.00 0.00 0.00 165 S 7.77 4.48 0.00 3.97 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 0.00 166 V 8.50 4.52 2.14 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 0.75 0.00 0.00 0.96 0.00 0.00 167 L 8.84 4.93 0.00 1.55 1.51 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.71 5.35 0.00 3.13 3.18 0.00 5.80 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 0.00 169 L 8.63 4.82 0.00 1.45 1.59 0.91 0.67 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 0.00 170 V 8.35 4.62 2.09 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 0.64 0.00 0.00 0.93 0.00 0.00 171 L 8.23 4.42 0.00 1.56 1.52 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.40 4.82 1.21 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 0.00 0.00 173 L 8.17 4.86 0.00 1.60 1.55 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.71 4.05 0.00 1.80 1.97 0.00 3.22 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 175 G 7.94 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 0.00 176 G 8.22 3.75 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 0.00 0.00 0.00