NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 186 S 4.4532 8.1933 115.4126 58.4296 65.2067 175.8586 187 I 3.5480 7.7290 121.0329 62.4981 37.2492 176.4907 188 S 4.2980 8.7822 116.3791 61.1356 63.9025 175.6223 189 K 3.8373 8.0770 121.7042 59.7250 31.7119 178.5253 190 Q 3.9613 8.1254 118.6791 59.3237 29.0523 178.4387 191 A 4.0023 7.5997 121.3349 55.1542 18.3463 179.4097 192 L 3.9624 7.8064 118.4942 58.2340 42.3715 178.8978 193 S 4.6422 7.9189 114.7560 59.6137 62.9295 175.0370 194 E 4.3890 7.8568 121.8176 57.4676 29.6043 177.0973 195 I 4.0778 7.5707 118.4674 62.5147 37.1896 177.7232 196 E 4.0984 8.0481 120.2709 59.2597 29.7482 178.3580 197 T 3.9264 7.3366 114.3327 66.9500 68.6340 176.3070 198 R 3.8888 7.8949 120.0799 59.8906 30.0576 177.9639 199 H 4.2001 7.9269 117.4184 59.0145 29.7278 177.4111 200 S 4.0231 8.3808 116.3175 61.6542 62.8382 176.0159 201 E 3.8422 8.0942 122.9741 59.3728 29.1290 179.5350 202 I 3.7518 7.5140 118.8844 64.4990 37.2985 178.6004 203 I 3.4666 7.8808 120.4093 63.6530 36.6814 178.6388 204 K 3.8517 8.7242 122.3210 59.2890 32.1067 178.3336 205 L 3.9530 8.4081 120.9207 58.3710 42.0412 178.2622 206 E 3.8862 8.9309 119.9076 59.6805 29.4546 178.7285 207 N 4.3177 8.0361 116.0556 56.3794 38.6585 177.4396 208 S 4.1251 7.6633 116.3485 61.8767 62.9996 176.9011 209 I 3.8473 7.9191 122.3454 64.5317 36.8877 178.7616 210 R 4.0578 8.2509 119.0027 58.9597 29.7521 178.8220 211 E 3.9044 8.0719 119.0455 59.1425 29.6626 178.2767 212 L 3.9818 8.3761 120.8488 58.8164 42.0299 178.3497 213 H 4.1784 8.8253 118.2140 59.5909 29.6286 176.9084 214 D 4.4085 8.1173 120.4353 57.6678 40.6483 178.1285 215 M 3.9523 8.2159 119.2520 58.5699 31.8993 178.5038 216 F 3.9614 8.5193 117.4751 61.2450 39.1706 177.9272 217 M 4.0829 8.4708 118.2798 58.3384 31.5640 178.7115 218 D 4.2938 8.4740 119.4537 57.6020 41.0933 178.2915 219 M 4.2105 8.5018 119.2401 58.5424 32.0960 178.3251 220 A 3.9752 8.1241 120.6602 55.7229 18.5260 179.2703 221 M 3.9535 8.1903 116.3381 58.7763 32.3344 178.4648 222 L 3.9574 8.7110 120.0752 58.0638 41.7309 180.0174 223 V 3.7291 8.1190 110.6131 63.5718 31.6357 178.1482 224 E 4.0796 8.0585 119.5598 59.4334 29.2365 178.7878 225 S 4.2009 8.1266 114.8918 61.5373 62.7806 176.7325 226 Q 4.1574 8.3115 121.0785 58.4077 28.4905 178.3630 227 G 3.8324 7.9581 106.6027 47.1641 0.0000 175.0033 228 E 4.1129 7.9279 120.8070 58.7061 29.6897 177.7905 229 M 3.9213 8.4412 118.2642 57.5979 32.5688 178.0883 230 I 3.7024 7.4519 120.0518 64.1579 37.2875 177.7570 231 D 4.0550 7.9546 119.8494 55.7919 39.3307 178.6009 232 R 3.3853 7.2474 120.0843 59.1945 29.9030 178.5706 233 I 3.7214 7.3760 119.4244 64.1411 37.0698 177.9894 234 E 3.8771 7.8915 120.2415 59.3203 29.5589 178.4251 235 Y 4.3253 8.3347 117.7657 61.3183 37.8882 178.4586 236 N 4.4098 8.2964 117.3267 56.3318 38.5802 177.6736 237 V 3.5610 8.1506 120.0247 65.8493 31.4852 177.6054 238 E 3.9699 8.2446 118.4154 60.0423 29.2873 179.2727 239 H 3.7987 7.8739 115.2488 58.5365 28.6588 177.3659 240 A 4.3128 8.0528 122.7330 55.4922 18.1275 179.5938 241 V 3.5244 8.5300 116.7095 66.5319 31.5526 177.5850 242 D 4.3071 8.1326 118.4096 57.6772 40.5742 178.1650 243 Y 4.5524 8.4691 117.8921 61.5833 38.0186 179.4942 244 V 3.6101 8.0762 118.6110 66.0776 31.6088 177.5934 245 E 3.9525 8.3455 118.4769 59.8692 29.3060 179.7742 246 R 3.9239 8.6333 117.8488 59.1030 30.0201 179.0909 247 A 3.9566 8.2676 120.9309 55.0283 18.3250 179.7175 248 V 3.4649 8.3965 117.0670 66.2508 31.6715 177.6650 249 S 4.0581 8.2531 112.9532 62.0062 62.0983 176.1121 250 D 4.2835 8.3193 121.1399 57.6258 40.3769 178.7528 251 T 3.8161 8.0554 112.9776 64.7584 67.4428 175.9066 252 K 4.0146 8.1623 121.9301 59.3263 32.3050 178.7169 253 K 3.5643 7.8489 118.5375 59.6056 31.7370 178.8083 254 A 3.6068 7.7045 119.6889 55.2886 18.3898 179.6121 255 V 3.6724 7.7811 116.7194 65.8689 31.3649 178.4449 256 K 3.9874 7.7433 116.8462 59.8802 32.3955 178.6035 257 Y 4.4678 8.2877 116.7136 60.7202 37.3770 177.8121 258 Q 4.1529 7.6215 118.2032 56.2929 28.9781 175.5548 259 S 4.2778 8.0644 118.9691 58.3944 64.0118 169.3217 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 186 S 8.19 4.45 0.00 4.02 4.19 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 0.00 0.00 0.00 187 I 7.73 3.55 1.87 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 1.47 0.65 0.91 0.00 0.00 188 S 8.78 4.30 0.00 4.04 4.11 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 0.00 189 K 8.08 3.84 0.00 1.82 1.90 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.55 7.81 190 Q 8.13 3.96 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 191 A 7.60 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 L 7.81 3.96 0.00 1.74 1.86 0.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 193 S 7.92 4.64 0.00 4.04 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 0.00 194 E 7.86 4.39 0.00 2.14 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 0.00 2.23 2.37 0.00 195 I 7.57 4.08 2.05 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 1.52 1.02 0.91 0.00 0.00 196 E 8.05 4.10 0.00 2.04 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 2.30 2.52 0.00 197 T 7.34 3.93 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 1.21 0.00 0.00 198 R 7.89 3.89 0.00 2.02 1.95 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 199 H 7.93 4.20 0.00 3.43 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 S 8.38 4.02 0.00 4.07 4.11 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 0.00 201 E 8.09 3.84 0.00 2.19 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 2.61 2.53 0.00 202 I 7.51 3.75 1.97 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 1.82 1.18 0.89 0.00 0.00 203 I 7.88 3.47 1.76 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.58 0.89 0.00 0.00 204 K 8.72 3.85 0.00 1.83 1.97 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 205 L 8.41 3.95 0.00 1.89 1.82 0.92 1.12 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 0.00 206 E 8.93 3.89 0.00 2.01 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 2.31 2.37 0.00 207 N 8.04 4.32 0.00 3.11 2.85 0.00 0.00 7.00 7.21 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 0.00 208 S 7.66 4.13 0.00 4.05 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 0.00 209 I 7.92 3.85 1.88 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 1.54 0.54 0.93 0.00 0.00 210 R 8.25 4.06 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 211 E 8.07 3.90 0.00 2.09 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 2.32 2.32 0.00 212 L 8.38 3.98 0.00 1.93 1.96 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 213 H 8.83 4.18 0.00 3.28 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 D 8.12 4.41 0.00 3.04 2.72 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 0.00 215 M 8.22 3.95 0.00 1.83 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.97 0.00 216 F 8.52 3.96 0.00 3.02 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 0.00 217 M 8.47 4.08 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.82 0.00 218 D 8.47 4.29 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.50 4.21 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 220 A 8.12 3.98 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 0.00 221 M 8.19 3.95 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 222 L 8.71 3.96 0.00 1.71 1.68 0.90 0.91 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 0.00 223 V 8.12 3.73 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 0.73 0.00 0.00 1.04 0.00 0.00 224 E 8.06 4.08 0.00 2.13 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 0.00 2.30 2.34 0.00 225 S 8.13 4.20 0.00 3.91 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 0.00 226 Q 8.31 4.16 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 227 G 7.96 3.83 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 0.00 0.00 0.00 228 E 7.93 4.11 0.00 2.06 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 0.00 2.30 2.32 0.00 229 M 8.44 3.92 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 230 I 7.45 3.70 1.80 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 1.65 0.64 0.84 0.00 0.00 231 D 7.95 4.05 0.00 2.04 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 0.00 232 R 7.25 3.39 0.00 1.91 2.07 0.00 3.11 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 233 I 7.38 3.72 2.01 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 1.37 0.75 0.88 0.00 0.00 234 E 7.89 3.88 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 235 Y 8.33 4.33 0.00 3.05 2.85 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 0.00 236 N 8.30 4.41 0.00 2.82 2.91 0.00 0.00 6.71 7.01 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 0.00 237 V 8.15 3.56 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 1.02 0.00 0.00 1.02 0.00 0.00 238 E 8.24 3.97 0.00 2.20 1.87 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 2.31 2.48 0.00 239 H 7.87 3.80 0.00 3.14 2.48 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 A 8.05 4.31 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 0.00 241 V 8.53 3.52 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 1.08 0.00 0.00 0.97 0.00 0.00 242 D 8.13 4.31 0.00 2.59 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 0.00 243 Y 8.47 4.55 0.00 3.08 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 0.00 244 V 8.08 3.61 2.26 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 1.05 0.00 0.00 1.04 0.00 0.00 245 E 8.35 3.95 0.00 2.24 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 2.34 2.60 0.00 246 R 8.63 3.92 0.00 2.01 2.03 0.00 3.33 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 247 A 8.27 3.96 1.40 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 0.00 0.00 248 V 8.40 3.46 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 0.98 0.00 0.00 249 S 8.25 4.06 0.00 3.98 4.01 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 0.00 250 D 8.32 4.28 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 T 8.06 3.82 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 252 K 8.16 4.01 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 253 K 7.85 3.56 0.00 1.61 1.22 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.59 7.81 254 A 7.70 3.61 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 0.00 255 V 7.78 3.67 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 1.01 0.00 0.00 0.96 0.00 0.00 256 K 7.74 3.99 0.00 2.05 2.00 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 257 Y 8.29 4.47 0.00 3.13 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 0.00 258 Q 7.62 4.15 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 5.76 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 259 S 8.06 4.28 0.00 4.10 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