NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 149 S 4.3538 8.1927 115.2832 58.1701 64.3581 174.8807 150 I 3.6912 7.4407 118.9372 61.0653 38.1072 175.3699 151 L 4.0948 8.7163 121.9191 57.7793 43.0141 176.2447 152 D 4.7079 7.6137 115.7776 54.1375 41.1905 176.6569 153 I 4.2561 7.2713 121.5931 60.3137 36.2049 174.9813 154 R 5.0059 8.1887 123.5105 54.0526 33.1499 175.4531 155 Q 4.2415 8.4513 124.1064 55.2646 29.7043 176.1128 156 G 3.7820 9.2700 114.0015 45.6766 0.0000 172.7675 157 P 4.3941 0.0000 0.0000 64.6804 31.4551 177.3774 158 K 4.5380 7.7404 113.1532 55.4060 33.7309 175.7626 159 E 4.0769 7.7798 121.0889 55.1612 30.1756 174.7247 160 P 4.4252 0.0000 0.0000 62.7305 32.3180 177.1416 161 F 4.1820 9.1310 125.2160 61.7270 39.4990 177.6746 162 R 3.8871 8.1990 117.7595 59.4120 29.7865 178.0252 163 D 4.4247 8.4948 119.2951 57.1727 40.5187 177.9965 164 Y 4.1845 7.9796 119.7426 60.5275 38.7837 178.2725 165 V 3.1548 7.4130 119.2269 65.8916 31.6119 177.6115 166 D 4.4540 7.8271 118.2166 57.5980 40.5689 179.2806 167 R 3.8880 7.7580 118.5148 59.0408 30.1284 178.5490 168 F 3.7224 7.9577 120.4168 61.7566 39.2946 176.9305 169 Y 4.0683 8.0150 116.0503 60.5636 37.7091 177.9769 170 K 3.8390 8.2866 120.8678 60.1193 31.8583 178.9196 171 T 3.8132 8.1152 116.0182 66.5228 68.3154 176.7350 172 L 3.8729 7.6807 120.8823 57.6641 41.6148 179.7100 173 R 3.8925 8.5178 118.1106 59.4145 29.8712 178.7608 174 A 4.1454 7.6125 118.7615 54.9606 18.2746 178.4918 175 E 4.3463 7.5930 113.7506 55.0823 30.0861 176.1064 176 Q 3.3753 8.5568 116.7925 56.1917 27.0669 174.3393 177 A 3.9843 7.9197 119.7814 52.3421 19.0812 179.2678 178 S 4.4241 8.4930 117.9957 58.0261 65.3375 175.3341 179 Q 3.9823 8.4985 121.9720 59.2811 28.9068 177.5180 180 E 4.1107 8.1953 120.0351 59.2095 29.7056 178.7904 181 V 3.7269 7.7389 118.5694 65.9550 31.5663 178.1710 182 K 4.1606 8.4401 118.4007 59.5148 31.4510 179.1064 183 N 4.4121 8.2477 116.2828 56.3108 38.3445 177.5878 184 W 3.8965 8.3596 119.8761 59.9932 29.0422 178.6146 185 M 4.3869 8.5968 120.3226 58.1667 31.1838 178.7629 186 T 3.8828 8.2396 115.0897 66.2285 68.7518 175.5551 187 A 4.4984 7.5504 120.0822 53.1145 19.8831 176.4500 188 T 4.3672 7.6873 105.8434 62.5615 71.9539 176.3330 189 L 4.1525 8.1941 121.6210 57.2820 42.5962 178.6509 190 L 3.0709 7.6147 120.5234 57.1799 42.1107 179.0393 191 V 3.7692 7.6606 117.1986 66.3551 31.4961 178.0087 192 Q 4.1445 8.1481 116.1501 58.1266 28.7427 177.4597 193 N 4.8189 8.3285 115.9086 52.0594 38.9183 174.8112 194 A 4.0235 7.1493 124.1619 51.1234 19.5521 177.8665 195 N 4.5881 9.0677 118.5457 51.8367 39.4143 174.5137 196 P 4.3867 0.0000 0.0000 65.8236 31.2950 178.7659 197 D 4.3440 8.0310 117.1118 57.3551 41.0462 178.4357 198 C 3.9650 8.6461 117.5010 62.5464 28.0849 175.6673 199 K 3.7669 8.3857 121.7029 60.2318 31.6644 178.6195 200 T 3.8325 7.5781 115.4546 66.5449 68.3381 176.7852 201 I 3.6323 7.5070 121.1238 64.4214 37.1131 178.4117 202 L 3.9444 8.2393 120.0459 57.8485 41.2129 179.8779 203 K 3.9412 8.0788 117.2319 59.2885 32.0300 178.9887 204 A 4.1144 7.8896 120.2035 55.0378 18.3738 179.2722 205 L 4.0564 8.0309 116.9947 56.3864 42.3458 178.5849 206 G 3.9722 8.0642 103.7607 43.7131 0.0000 170.7613 207 P 4.2846 0.0000 0.0000 64.1913 31.4045 176.8207 208 G 3.7838 8.7840 107.5718 45.6325 0.0000 173.5028 209 A 4.2783 7.2264 121.4261 51.7358 19.1281 178.8716 210 T 4.2936 8.4669 112.2973 60.8877 71.2311 175.9048 211 L 4.0196 8.4065 123.0048 58.4373 41.9656 178.8040 212 E 3.9504 8.1193 118.7385 59.1938 29.6612 178.4999 213 E 3.9306 8.0089 118.5897 59.7428 29.3510 178.9342 214 M 3.9506 8.1335 117.7335 58.9839 32.2091 178.5804 215 M 4.4554 8.3752 118.6179 58.5895 31.8659 178.7450 216 T 3.8568 8.1839 115.9230 66.8568 68.4827 176.5056 217 A 4.1038 7.8924 120.8080 54.2686 18.3054 178.3891 218 C 4.4491 7.3429 113.2385 58.6035 28.8092 173.6630 219 Q 4.2567 7.2110 119.8531 57.1581 29.0384 174.4993 220 G 4.3295 10.5367 111.5258 45.7938 0.0000 173.7715 221 V 3.9953 6.9942 122.4961 61.7905 31.3672 173.6871 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 149 S 8.19 4.35 0.00 3.84 4.10 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 0.00 150 I 7.44 3.69 1.60 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.62 0.80 0.00 0.00 151 L 8.72 4.09 0.00 1.62 1.69 0.96 1.18 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 0.00 152 D 7.61 4.71 0.00 2.87 2.67 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 0.00 0.00 0.00 0.00 153 I 7.27 4.26 1.96 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 1.23 0.68 1.09 0.00 0.00 154 R 8.19 5.01 0.00 1.68 1.80 0.00 3.23 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 155 Q 8.45 4.24 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 156 G 9.27 3.78 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 0.00 0.00 0.00 157 P 0.00 4.39 0.00 2.04 2.13 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 158 K 7.74 4.54 0.00 1.70 1.79 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.32 7.81 159 E 7.78 4.08 0.00 1.92 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 2.40 2.34 0.00 160 P 0.00 4.43 0.00 2.28 2.03 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 161 F 9.13 4.18 0.00 3.14 3.17 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 0.00 162 R 8.20 3.89 0.00 2.00 1.96 0.00 3.25 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 163 D 8.49 4.42 0.00 2.91 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 0.00 164 Y 7.98 4.18 0.00 3.15 3.03 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 0.00 0.00 0.00 165 V 7.41 3.15 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 1.09 0.00 0.00 0.15 0.00 0.00 166 D 7.83 4.45 0.00 2.73 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 0.00 167 R 7.76 3.89 0.00 1.82 1.98 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 168 F 7.96 3.72 0.00 2.49 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 0.00 169 Y 8.02 4.07 0.00 3.19 3.01 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 0.00 0.00 0.00 170 K 8.29 3.84 0.00 2.15 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 171 T 8.12 3.81 4.12 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 0.00 0.00 0.00 1.09 0.00 0.00 172 L 7.68 3.87 0.00 1.87 1.71 0.59 0.42 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 0.00 173 R 8.52 3.89 0.00 1.97 1.98 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 174 A 7.61 4.15 1.33 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 0.00 175 E 7.59 4.35 0.00 1.90 1.93 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 2.24 2.46 0.00 176 Q 8.56 3.38 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 177 A 7.92 3.98 1.28 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 0.00 0.00 178 S 8.49 4.42 0.00 4.08 4.04 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 0.00 179 Q 8.50 3.98 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 180 E 8.20 4.11 0.00 2.16 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 2.68 2.53 0.00 181 V 7.74 3.73 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 1.08 0.00 0.00 0.92 0.00 0.00 182 K 8.44 4.16 0.00 1.97 2.12 0.00 1.98 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.81 7.81 183 N 8.25 4.41 0.00 3.05 2.86 0.00 0.00 7.02 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 W 8.36 3.90 0.00 3.56 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 0.00 185 M 8.60 4.39 0.00 2.33 2.49 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.83 0.00 186 T 8.24 3.88 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 187 A 7.55 4.50 1.20 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 0.00 0.00 188 T 7.69 4.37 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 189 L 8.19 4.15 0.00 2.03 2.28 1.02 0.51 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 0.00 190 L 7.61 3.07 0.00 0.77 1.68 -0.21 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 191 V 7.66 3.77 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 1.02 0.00 0.00 0.95 0.00 0.00 192 Q 8.15 4.14 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 193 N 8.33 4.82 0.00 3.24 3.21 0.00 0.00 6.74 7.47 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 0.00 194 A 7.15 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 N 9.07 4.59 0.00 2.90 3.02 0.00 0.00 7.31 7.80 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 0.00 196 P 0.00 4.39 0.00 2.15 2.14 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 197 D 8.03 4.34 0.00 2.66 2.67 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 0.00 0.00 0.00 0.00 198 C 8.65 3.96 0.00 3.11 2.81 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 0.00 0.00 0.00 199 K 8.39 3.77 0.00 1.98 1.82 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.51 7.81 200 T 7.58 3.83 4.36 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 1.18 0.00 0.00 201 I 7.51 3.63 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 0.84 0.00 0.00 202 L 8.24 3.94 0.00 1.59 1.69 0.89 0.84 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 0.00 203 K 8.08 3.94 0.00 1.70 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.71 7.81 204 A 7.89 4.11 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 0.00 205 L 8.03 4.06 0.00 1.72 1.72 0.87 1.01 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 0.00 206 G 8.06 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 0.00 207 P 0.00 4.28 0.00 2.12 2.03 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 208 G 8.78 3.78 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 0.00 0.00 0.00 209 A 7.23 4.28 1.33 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 0.00 210 T 8.47 4.29 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 1.20 0.00 0.00 211 L 8.41 4.02 0.00 1.80 1.71 1.08 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 212 E 8.12 3.95 0.00 2.04 1.93 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 2.39 2.35 0.00 213 E 8.01 3.93 0.00 2.19 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 2.32 2.35 0.00 214 M 8.13 3.95 0.00 2.09 2.48 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.61 0.00 215 M 8.38 4.46 0.00 2.19 2.32 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 3.04 2.89 0.00 216 T 8.18 3.86 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 217 A 7.89 4.10 1.27 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 0.00 0.00 0.00 0.00 0.00 218 C 7.34 4.45 0.00 2.46 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 0.00 219 Q 7.21 4.26 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 220 G 10.54 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 0.00 221 V 6.99 4.00 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 0.59 0.00 0.00 0.93 0.00 0.00