REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3mzk_1_B DATA FIRST_RESID 988 DATA SEQUENCE LLRRQFPIFH WSAANKVVYA VPPIXXXXXX XXXXXXVQEI KVTPIDQIIK DATA SEQUENCE PNDMLKSFPG PLGSAKLKKK DLTKWMETTI KSISENESST DMTIWQLLEM DATA SEQUENCE KLNDKVNWKN ISKLLYNSDE LLMYLSQPFP NGDMIPNAYR LDINCQMRVL DATA SEQUENCE AFLQTGNHDE ALRLALSKRD YAIALLVGSL MGKDRWSEVI QKYLYEGXXX DATA SEQUENCE XXXDQKELAH FLLLIFQVFV GNSKMAIKSF YTNNETSQWA SENWKSIVAA DATA SEQUENCE VLINIPENNE DPLLIPPVVL EFLIEFGIFL TKKGLTAAAS TLFIIGNVPL DATA SEQUENCE SNEPVMADSD VIFESIGNMN TFESILWDEI YEYIFSYDPK FKGFSSILPQ DATA SEQUENCE KIYHASLLQE QGLNSLGTKY TDYLSSSVRK LPKKDILTIN LTRELSEVAS DATA SEQUENCE RLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 988 L HA 0.000 nan 4.340 nan 0.000 0.249 988 L C 0.000 176.962 176.870 0.154 0.000 1.165 988 L CA 0.000 54.900 54.840 0.100 0.000 0.813 988 L CB 0.000 42.151 42.059 0.153 0.000 0.961 989 L N -0.413 120.876 121.223 0.110 0.000 2.591 989 L HA 0.762 5.103 4.340 0.000 0.000 0.228 989 L C 2.164 179.075 176.870 0.068 0.000 1.133 989 L CA 1.839 56.747 54.840 0.113 0.000 0.880 989 L CB -1.338 40.769 42.059 0.080 0.000 1.033 989 L HN 1.254 nan 8.230 nan 0.000 0.450 990 R N 0.084 120.604 120.500 0.033 0.000 2.552 990 R HA 0.549 4.889 4.340 0.000 0.000 0.314 990 R C 0.850 177.130 176.300 -0.034 0.000 1.041 990 R CA 0.126 56.228 56.100 0.004 0.000 1.076 990 R CB -0.300 30.001 30.300 0.001 0.000 1.290 990 R HN 0.751 nan 8.270 nan 0.000 0.563 991 R N 0.299 120.760 120.500 -0.064 0.000 2.670 991 R HA 0.394 4.734 4.340 0.000 0.000 0.289 991 R C -1.190 174.975 176.300 -0.225 0.000 0.965 991 R CA -0.716 55.268 56.100 -0.194 0.000 0.899 991 R CB 1.655 31.756 30.300 -0.332 0.000 1.173 991 R HN 0.271 nan 8.270 nan 0.000 0.456 992 Q N 2.855 122.518 119.800 -0.227 0.000 2.294 992 Q HA 0.269 4.610 4.340 0.000 0.000 0.257 992 Q C -1.623 174.237 176.000 -0.233 0.000 0.955 992 Q CA 0.190 55.910 55.803 -0.138 0.000 0.936 992 Q CB 0.538 29.231 28.738 -0.074 0.000 1.188 992 Q HN 0.387 nan 8.270 nan 0.000 0.420 993 F N 4.326 124.283 119.950 0.012 0.000 2.523 993 F HA 0.580 5.108 4.527 0.000 0.000 0.329 993 F C -1.702 174.109 175.800 0.017 0.000 1.061 993 F CA -2.305 55.703 58.000 0.012 0.000 0.967 993 F CB 1.106 40.113 39.000 0.012 0.000 1.218 993 F HN 0.574 nan 8.300 nan 0.000 0.480 994 P HA 0.304 nan 4.420 nan 0.000 0.271 994 P C -0.995 176.382 177.300 0.128 0.000 1.233 994 P CA 0.118 63.316 63.100 0.164 0.000 0.789 994 P CB 0.574 32.353 31.700 0.132 0.000 0.951 995 I N 0.508 121.143 120.570 0.108 0.000 2.619 995 I HA 0.515 4.685 4.170 0.000 0.000 0.292 995 I C -0.988 175.172 176.117 0.071 0.000 1.100 995 I CA -0.580 60.743 61.300 0.038 0.000 1.043 995 I CB 1.912 39.931 38.000 0.032 0.000 1.239 995 I HN 0.231 nan 8.210 nan 0.000 0.420 996 F N 4.584 124.351 119.950 -0.306 0.000 2.604 996 F HA 0.555 5.083 4.527 0.000 0.000 0.316 996 F C -1.296 174.153 175.800 -0.585 0.000 1.136 996 F CA -0.084 57.719 58.000 -0.329 0.000 0.989 996 F CB 1.478 40.306 39.000 -0.287 0.000 1.258 996 F HN 0.466 nan 8.300 nan 0.000 0.451 997 H N 2.996 121.676 119.070 -0.650 0.000 2.954 997 H HA 0.346 4.902 4.556 0.000 0.000 0.361 997 H C -1.592 173.402 175.328 -0.557 0.000 1.122 997 H CA -0.739 55.084 56.048 -0.376 0.000 1.217 997 H CB 1.494 31.179 29.762 -0.127 0.000 1.776 997 H HN 0.581 nan 8.280 nan 0.000 0.533 998 W N 1.413 122.758 121.300 0.075 0.000 2.303 998 W HA 0.543 5.203 4.660 0.000 0.000 0.334 998 W C 0.446 176.980 176.519 0.026 0.000 1.197 998 W CA -0.409 56.961 57.345 0.041 0.000 1.262 998 W CB 1.092 30.626 29.460 0.123 0.000 1.153 998 W HN 0.311 nan 8.180 nan 0.000 0.596 999 S N 0.519 116.362 115.700 0.239 0.000 2.566 999 S HA 0.623 5.093 4.470 0.000 0.000 0.298 999 S C 0.652 175.331 174.600 0.133 0.000 1.083 999 S CA -0.201 58.079 58.200 0.134 0.000 0.978 999 S CB 1.465 64.703 63.200 0.064 0.000 1.073 999 S HN 0.611 nan 8.310 nan 0.000 0.491 1000 A N 2.325 125.196 122.820 0.085 0.000 2.216 1000 A HA 0.319 4.639 4.320 0.000 0.000 0.214 1000 A C 1.494 179.111 177.584 0.055 0.000 1.160 1000 A CA 1.241 53.317 52.037 0.065 0.000 0.725 1000 A CB -0.669 18.357 19.000 0.042 0.000 0.784 1000 A HN 1.147 nan 8.150 nan 0.000 0.472 1001 A N -0.335 122.517 122.820 0.055 0.000 2.532 1001 A HA 0.381 4.701 4.320 0.000 0.000 0.273 1001 A C 0.519 178.135 177.584 0.054 0.000 1.342 1001 A CA -0.053 52.010 52.037 0.043 0.000 0.929 1001 A CB -0.488 18.529 19.000 0.029 0.000 1.051 1001 A HN 0.407 nan 8.150 nan 0.000 0.521 1002 N N -0.196 118.551 118.700 0.078 0.000 2.708 1002 N HA -0.165 4.575 4.740 0.000 0.000 0.249 1002 N C -0.355 175.208 175.510 0.088 0.000 1.097 1002 N CA 1.625 54.732 53.050 0.095 0.000 0.710 1002 N CB -1.252 37.278 38.487 0.072 0.000 1.032 1002 N HN 0.748 nan 8.380 nan 0.000 0.551 1003 K N -0.561 119.884 120.400 0.076 0.000 2.295 1003 K HA 0.764 5.084 4.320 0.000 0.000 0.239 1003 K C -0.322 176.288 176.600 0.016 0.000 0.991 1003 K CA -0.785 55.527 56.287 0.041 0.000 0.845 1003 K CB 2.611 35.118 32.500 0.013 0.000 1.197 1003 K HN -0.123 nan 8.250 nan 0.000 0.441 1004 V N 1.294 121.175 119.914 -0.054 0.000 2.962 1004 V HA 0.415 4.535 4.120 0.000 0.000 0.313 1004 V C -1.225 174.730 176.094 -0.231 0.000 1.099 1004 V CA -0.819 61.346 62.300 -0.226 0.000 0.971 1004 V CB 2.465 34.087 31.823 -0.335 0.000 1.028 1004 V HN 0.451 nan 8.190 nan 0.000 0.430 1005 V N 4.888 124.591 119.914 -0.352 0.000 2.540 1005 V HA 0.670 4.790 4.120 0.000 0.000 0.302 1005 V C -1.057 174.860 176.094 -0.295 0.000 1.035 1005 V CA -0.627 61.511 62.300 -0.271 0.000 0.873 1005 V CB 1.397 33.128 31.823 -0.155 0.000 0.992 1005 V HN 0.901 nan 8.190 nan 0.000 0.428 1006 Y N 2.031 122.191 120.300 -0.234 0.000 2.625 1006 Y HA 0.960 5.510 4.550 0.000 0.000 0.338 1006 Y C -0.574 175.303 175.900 -0.038 0.000 1.123 1006 Y CA -1.367 56.659 58.100 -0.124 0.000 1.046 1006 Y CB 1.884 40.353 38.460 0.015 0.000 1.299 1006 Y HN 0.783 nan 8.280 nan 0.000 0.464 1007 A N 1.374 124.296 122.820 0.170 0.000 2.427 1007 A HA 0.754 5.075 4.320 0.000 0.000 0.298 1007 A C -2.134 175.559 177.584 0.181 0.000 1.036 1007 A CA -0.777 51.321 52.037 0.101 0.000 0.701 1007 A CB 1.488 20.508 19.000 0.033 0.000 1.250 1007 A HN 0.865 nan 8.150 nan 0.000 0.412 1008 V N 3.700 123.714 119.914 0.168 0.000 2.409 1008 V HA 0.387 4.508 4.120 0.000 0.000 0.290 1008 V C -2.462 173.677 176.094 0.075 0.000 1.017 1008 V CA -1.572 60.806 62.300 0.131 0.000 0.841 1008 V CB 1.447 33.356 31.823 0.144 0.000 1.003 1008 V HN 0.810 nan 8.190 nan 0.000 0.426 1009 P HA 0.192 nan 4.420 nan 0.000 0.267 1009 P C -2.338 174.969 177.300 0.012 0.000 1.200 1009 P CA -0.489 62.620 63.100 0.016 0.000 0.772 1009 P CB -0.018 31.675 31.700 -0.011 0.000 0.855 1010 P HA 0.283 nan 4.420 nan 0.000 0.281 1010 P C 0.058 177.355 177.300 -0.004 0.000 1.249 1010 P CA -0.243 62.860 63.100 0.004 0.000 0.810 1010 P CB 0.485 32.186 31.700 0.001 0.000 1.008 1025 Q N 2.067 121.862 119.800 -0.009 0.000 2.331 1025 Q HA 0.697 5.037 4.340 0.000 0.000 0.267 1025 Q C -0.509 175.482 176.000 -0.015 0.000 1.006 1025 Q CA -0.222 55.577 55.803 -0.007 0.000 0.818 1025 Q CB 1.778 30.514 28.738 -0.002 0.000 1.276 1025 Q HN 0.743 nan 8.270 nan 0.000 0.450 1026 E N 3.794 123.983 120.200 -0.019 0.000 2.283 1026 E HA 0.346 4.696 4.350 0.000 0.000 0.278 1026 E C -0.473 176.085 176.600 -0.070 0.000 1.027 1026 E CA -0.370 56.006 56.400 -0.040 0.000 0.843 1026 E CB 1.221 30.898 29.700 -0.039 0.000 1.062 1026 E HN 0.603 nan 8.360 nan 0.000 0.401 1027 I N 3.256 123.771 120.570 -0.093 0.000 2.359 1027 I HA 0.260 4.430 4.170 0.000 0.000 0.294 1027 I C -0.044 175.942 176.117 -0.218 0.000 0.987 1027 I CA -0.519 60.694 61.300 -0.145 0.000 1.225 1027 I CB 1.078 39.020 38.000 -0.098 0.000 1.366 1027 I HN 0.238 nan 8.210 nan 0.000 0.466 1028 K N 5.156 125.319 120.400 -0.396 0.000 2.316 1028 K HA 0.710 5.031 4.320 0.000 0.000 0.251 1028 K C -1.394 174.948 176.600 -0.429 0.000 0.934 1028 K CA -0.802 55.213 56.287 -0.452 0.000 0.802 1028 K CB 3.036 35.146 32.500 -0.651 0.000 1.171 1028 K HN 0.232 nan 8.250 nan 0.000 0.426 1029 V N 1.960 121.730 119.914 -0.241 0.000 2.380 1029 V HA 0.320 4.440 4.120 0.000 0.000 0.286 1029 V C -0.508 175.539 176.094 -0.079 0.000 1.015 1029 V CA -0.568 61.640 62.300 -0.154 0.000 0.834 1029 V CB 1.521 33.282 31.823 -0.105 0.000 1.009 1029 V HN 0.878 nan 8.190 nan 0.000 0.428 1030 T N 6.171 120.708 114.554 -0.029 0.000 2.906 1030 T HA 0.652 5.002 4.350 0.000 0.000 0.295 1030 T C -2.896 171.831 174.700 0.044 0.000 1.061 1030 T CA -2.127 59.992 62.100 0.032 0.000 1.000 1030 T CB 2.403 71.331 68.868 0.100 0.000 1.103 1030 T HN 0.348 nan 8.240 nan 0.000 0.486 1031 P HA 0.180 nan 4.420 nan 0.000 0.268 1031 P C 0.959 178.311 177.300 0.087 0.000 1.208 1031 P CA -0.104 63.032 63.100 0.060 0.000 0.777 1031 P CB 0.393 32.126 31.700 0.055 0.000 0.875 1032 I N 1.814 122.450 120.570 0.110 0.000 2.361 1032 I HA -0.244 3.926 4.170 0.000 0.000 0.251 1032 I C 1.086 177.295 176.117 0.154 0.000 1.133 1032 I CA 1.783 63.180 61.300 0.162 0.000 1.413 1032 I CB -0.130 38.006 38.000 0.228 0.000 1.073 1032 I HN 0.336 nan 8.210 nan 0.000 0.424 1033 D N -0.368 120.103 120.400 0.119 0.000 2.378 1033 D HA -0.185 4.456 4.640 0.000 0.000 0.227 1033 D C 1.484 177.836 176.300 0.087 0.000 1.012 1033 D CA 0.475 54.537 54.000 0.104 0.000 0.905 1033 D CB -0.399 40.451 40.800 0.084 0.000 0.895 1033 D HN 0.400 nan 8.370 nan 0.000 0.532 1034 Q N -0.226 119.626 119.800 0.086 0.000 2.365 1034 Q HA 0.248 4.588 4.340 0.000 0.000 0.203 1034 Q C 1.397 177.438 176.000 0.069 0.000 0.929 1034 Q CA 0.215 56.062 55.803 0.074 0.000 0.948 1034 Q CB 0.742 29.528 28.738 0.079 0.000 1.043 1034 Q HN 0.515 nan 8.270 nan 0.000 0.505 1035 I N -1.289 119.331 120.570 0.084 0.000 4.547 1035 I HA 0.138 4.308 4.170 0.000 0.000 0.303 1035 I C 0.378 176.553 176.117 0.096 0.000 1.188 1035 I CA 0.002 61.345 61.300 0.071 0.000 1.320 1035 I CB 0.994 39.049 38.000 0.093 0.000 1.495 1035 I HN -0.050 nan 8.210 nan 0.000 0.462 1036 I N 3.066 123.722 120.570 0.143 0.000 2.337 1036 I HA 0.178 4.349 4.170 0.000 0.000 0.285 1036 I C 0.578 176.768 176.117 0.121 0.000 1.041 1036 I CA -0.287 61.104 61.300 0.152 0.000 1.199 1036 I CB 1.065 39.199 38.000 0.224 0.000 1.370 1036 I HN 0.075 nan 8.210 nan 0.000 0.470 1037 K N 7.848 128.303 120.400 0.092 0.000 2.395 1037 K HA 0.290 4.610 4.320 0.000 0.000 0.283 1037 K C -2.573 174.089 176.600 0.104 0.000 1.068 1037 K CA -0.994 55.342 56.287 0.081 0.000 1.039 1037 K CB -1.117 31.418 32.500 0.059 0.000 0.924 1037 K HN 0.313 nan 8.250 nan 0.000 0.468 1038 P HA 0.165 nan 4.420 nan 0.000 0.271 1038 P C -0.739 176.634 177.300 0.121 0.000 1.233 1038 P CA -0.566 62.603 63.100 0.115 0.000 0.789 1038 P CB 0.499 32.248 31.700 0.082 0.000 0.951 1039 N N -0.205 118.580 118.700 0.141 0.000 2.408 1039 N HA 0.294 5.034 4.740 0.000 0.000 0.280 1039 N C 0.915 176.487 175.510 0.103 0.000 1.002 1039 N CA 0.003 53.140 53.050 0.144 0.000 0.907 1039 N CB 0.339 38.973 38.487 0.246 0.000 1.161 1039 N HN 0.447 nan 8.380 nan 0.000 0.488 1040 D N 1.867 122.325 120.400 0.096 0.000 2.263 1040 D HA -0.147 4.494 4.640 0.000 0.000 0.208 1040 D C 1.587 177.985 176.300 0.163 0.000 0.971 1040 D CA 0.954 55.016 54.000 0.102 0.000 0.867 1040 D CB -0.115 40.728 40.800 0.072 0.000 0.929 1040 D HN 0.559 nan 8.370 nan 0.000 0.492 1041 M N -0.449 119.254 119.600 0.172 0.000 2.084 1041 M HA -0.084 4.396 4.480 0.000 0.000 0.259 1041 M C 2.406 178.900 176.300 0.323 0.000 1.072 1041 M CA 1.539 57.008 55.300 0.283 0.000 1.107 1041 M CB -0.209 32.537 32.600 0.243 0.000 1.299 1041 M HN 0.326 nan 8.290 nan 0.000 0.413 1042 L N 0.465 121.748 121.223 0.100 0.000 2.127 1042 L HA -0.228 4.112 4.340 0.000 0.000 0.211 1042 L C 2.937 179.872 176.870 0.108 0.000 1.089 1042 L CA 1.739 56.580 54.840 0.002 0.000 0.757 1042 L CB -1.101 40.799 42.059 -0.265 0.000 0.899 1042 L HN 0.404 nan 8.230 nan 0.000 0.434 1043 K N 0.029 120.497 120.400 0.114 0.000 2.155 1043 K HA -0.103 4.217 4.320 0.000 0.000 0.203 1043 K C 2.170 178.866 176.600 0.160 0.000 1.052 1043 K CA 1.516 57.867 56.287 0.107 0.000 0.948 1043 K CB -0.850 31.699 32.500 0.082 0.000 0.728 1043 K HN 0.554 nan 8.250 nan 0.000 0.448 1044 S N -0.729 115.139 115.700 0.280 0.000 2.478 1044 S HA 0.200 4.670 4.470 0.000 0.000 0.222 1044 S C 0.749 175.510 174.600 0.268 0.000 1.008 1044 S CA -0.437 57.979 58.200 0.361 0.000 0.928 1044 S CB -0.513 62.995 63.200 0.514 0.000 0.781 1044 S HN 0.407 nan 8.310 nan 0.000 0.518 1045 F N 5.075 124.996 119.950 -0.048 0.000 2.612 1045 F HA 0.257 4.784 4.527 0.000 0.000 0.389 1045 F C -2.550 172.979 175.800 -0.451 0.000 1.055 1045 F CA -2.376 55.174 58.000 -0.750 0.000 1.232 1045 F CB 0.115 38.821 39.000 -0.490 0.000 1.044 1045 F HN 0.029 nan 8.300 nan 0.000 0.560 1046 P HA 0.164 nan 4.420 nan 0.000 0.252 1046 P C 0.481 177.376 177.300 -0.675 0.000 1.635 1046 P CA 0.842 63.513 63.100 -0.716 0.000 1.206 1046 P CB -0.373 30.915 31.700 -0.687 0.000 1.911 1047 G N 5.213 113.794 108.800 -0.365 0.000 2.561 1047 G HA2 -0.225 3.735 3.960 0.000 0.000 0.360 1047 G HA3 -0.225 3.735 3.960 0.000 0.000 0.360 1047 G C -2.436 172.239 174.900 -0.375 0.000 1.328 1047 G CA -0.894 44.051 45.100 -0.258 0.000 0.918 1047 G HN 0.269 nan 8.290 nan 0.000 0.542 1048 P HA 0.396 nan 4.420 nan 0.000 0.276 1048 P C 0.410 177.338 177.300 -0.621 0.000 1.264 1048 P CA -0.328 62.233 63.100 -0.899 0.000 0.769 1048 P CB 0.401 31.326 31.700 -1.292 0.000 0.840 1049 L N 2.235 123.219 121.223 -0.398 0.000 2.473 1049 L HA 0.232 4.572 4.340 0.000 0.000 0.268 1049 L C 1.910 178.596 176.870 -0.307 0.000 1.215 1049 L CA 0.684 55.297 54.840 -0.379 0.000 0.823 1049 L CB -0.603 41.289 42.059 -0.278 0.000 1.099 1049 L HN 0.710 nan 8.230 nan 0.000 0.483 1050 G N 0.769 109.495 108.800 -0.123 0.000 2.458 1050 G HA2 -0.353 3.607 3.960 0.000 0.000 0.237 1050 G HA3 -0.353 3.607 3.960 0.000 0.000 0.237 1050 G C 0.516 175.319 174.900 -0.162 0.000 1.113 1050 G CA 0.373 45.464 45.100 -0.016 0.000 0.655 1050 G HN 0.871 nan 8.290 nan 0.000 0.513 1051 S N 1.180 116.565 115.700 -0.524 0.000 2.575 1051 S HA 0.506 4.976 4.470 0.000 0.000 0.295 1051 S C 1.503 176.000 174.600 -0.172 0.000 1.267 1051 S CA 0.713 58.682 58.200 -0.385 0.000 1.074 1051 S CB 1.364 64.241 63.200 -0.537 0.000 0.829 1051 S HN 1.860 nan 8.310 nan 0.000 0.497 1052 A N 3.487 126.270 122.820 -0.061 0.000 2.238 1052 A HA 0.312 4.632 4.320 0.000 0.000 0.208 1052 A C 2.016 179.576 177.584 -0.039 0.000 1.177 1052 A CA 0.765 52.785 52.037 -0.028 0.000 0.804 1052 A CB -0.940 18.064 19.000 0.006 0.000 0.823 1052 A HN 1.202 nan 8.150 nan 0.000 0.482 1053 K N -0.108 120.250 120.400 -0.070 0.000 2.589 1053 K HA 0.321 4.642 4.320 0.000 0.000 0.192 1053 K C 0.594 177.141 176.600 -0.088 0.000 1.029 1053 K CA 0.391 56.636 56.287 -0.069 0.000 1.031 1053 K CB -0.672 31.781 32.500 -0.078 0.000 0.821 1053 K HN 0.538 nan 8.250 nan 0.000 0.502 1054 L N 1.361 122.523 121.223 -0.102 0.000 2.326 1054 L HA 0.518 4.858 4.340 0.000 0.000 0.278 1054 L C -0.104 176.732 176.870 -0.057 0.000 1.092 1054 L CA -0.178 54.584 54.840 -0.130 0.000 0.810 1054 L CB 1.123 43.064 42.059 -0.196 0.000 1.153 1054 L HN 0.314 nan 8.230 nan 0.000 0.439 1055 K N 4.075 124.438 120.400 -0.061 0.000 2.274 1055 K HA 0.229 4.550 4.320 0.000 0.000 0.262 1055 K C 0.538 177.139 176.600 0.002 0.000 0.961 1055 K CA -0.473 55.812 56.287 -0.003 0.000 0.833 1055 K CB 1.218 33.716 32.500 -0.003 0.000 1.102 1055 K HN 0.802 nan 8.250 nan 0.000 0.436 1056 K N 1.117 121.572 120.400 0.092 0.000 2.442 1056 K HA -0.193 4.127 4.320 0.000 0.000 0.199 1056 K C 2.297 178.949 176.600 0.087 0.000 1.044 1056 K CA 2.062 58.432 56.287 0.138 0.000 0.941 1056 K CB -0.307 32.361 32.500 0.280 0.000 0.759 1056 K HN 0.690 nan 8.250 nan 0.000 0.472 1057 K N 1.564 121.997 120.400 0.055 0.000 1.963 1057 K HA -0.183 4.137 4.320 0.000 0.000 0.216 1057 K C 1.567 178.195 176.600 0.047 0.000 1.045 1057 K CA 1.960 58.276 56.287 0.050 0.000 0.954 1057 K CB -1.293 31.228 32.500 0.034 0.000 0.732 1057 K HN 0.335 nan 8.250 nan 0.000 0.442 1058 D N 0.586 120.994 120.400 0.013 0.000 2.170 1058 D HA -0.187 4.453 4.640 0.000 0.000 0.193 1058 D C 1.904 178.237 176.300 0.055 0.000 1.004 1058 D CA 1.685 55.693 54.000 0.013 0.000 0.860 1058 D CB -0.419 40.345 40.800 -0.061 0.000 0.931 1058 D HN 0.282 nan 8.370 nan 0.000 0.448 1059 L N 0.997 122.219 121.223 -0.001 0.000 2.005 1059 L HA -0.104 4.236 4.340 0.000 0.000 0.207 1059 L C 2.276 179.282 176.870 0.227 0.000 1.072 1059 L CA 1.887 56.754 54.840 0.045 0.000 0.744 1059 L CB -1.114 40.888 42.059 -0.095 0.000 0.895 1059 L HN -0.049 nan 8.230 nan 0.000 0.433 1060 T N -0.413 114.246 114.554 0.175 0.000 2.720 1060 T HA -0.250 4.100 4.350 0.000 0.000 0.268 1060 T C 1.909 176.714 174.700 0.175 0.000 1.037 1060 T CA 1.823 64.036 62.100 0.187 0.000 1.144 1060 T CB -0.266 68.686 68.868 0.140 0.000 0.864 1060 T HN 0.328 nan 8.240 nan 0.000 0.444 1061 K N -0.442 120.050 120.400 0.154 0.000 2.057 1061 K HA -0.113 4.207 4.320 0.000 0.000 0.206 1061 K C 2.180 178.873 176.600 0.155 0.000 1.050 1061 K CA 1.057 57.418 56.287 0.123 0.000 0.935 1061 K CB -0.258 32.300 32.500 0.098 0.000 0.715 1061 K HN 0.493 nan 8.250 nan 0.000 0.439 1062 W N 1.561 122.885 121.300 0.040 0.000 2.363 1062 W HA -0.199 4.461 4.660 0.000 0.000 0.296 1062 W C 1.771 178.341 176.519 0.085 0.000 1.212 1062 W CA 1.621 59.001 57.345 0.058 0.000 1.260 1062 W CB 0.002 29.499 29.460 0.062 0.000 1.131 1062 W HN -0.002 nan 8.180 nan 0.000 0.530 1063 M N 0.142 119.935 119.600 0.322 0.000 2.099 1063 M HA -0.193 4.287 4.480 0.000 0.000 0.262 1063 M C 1.938 178.189 176.300 -0.082 0.000 1.067 1063 M CA 1.924 57.311 55.300 0.144 0.000 1.124 1063 M CB -0.963 31.863 32.600 0.377 0.000 1.353 1063 M HN 0.071 nan 8.290 nan 0.000 0.410 1064 E N 0.109 120.302 120.200 -0.013 0.000 2.033 1064 E HA -0.183 4.168 4.350 0.000 0.000 0.199 1064 E C 1.955 178.462 176.600 -0.156 0.000 1.011 1064 E CA 2.107 58.474 56.400 -0.056 0.000 0.815 1064 E CB -0.288 29.406 29.700 -0.010 0.000 0.755 1064 E HN 0.473 nan 8.360 nan 0.000 0.451 1065 T N 0.650 115.095 114.554 -0.182 0.000 2.607 1065 T HA -0.203 4.147 4.350 0.000 0.000 0.267 1065 T C 2.082 176.566 174.700 -0.359 0.000 1.049 1065 T CA 2.042 64.003 62.100 -0.231 0.000 1.162 1065 T CB -0.709 68.028 68.868 -0.218 0.000 0.863 1065 T HN 0.210 nan 8.240 nan 0.000 0.424 1066 T N 2.190 116.379 114.554 -0.608 0.000 2.652 1066 T HA -0.041 4.309 4.350 0.000 0.000 0.267 1066 T C 2.024 176.342 174.700 -0.637 0.000 1.039 1066 T CA 1.240 62.891 62.100 -0.748 0.000 1.153 1066 T CB -0.554 67.552 68.868 -1.269 0.000 0.863 1066 T HN 0.326 nan 8.240 nan 0.000 0.428 1067 I N 1.556 121.768 120.570 -0.598 0.000 2.208 1067 I HA -0.211 3.959 4.170 0.000 0.000 0.245 1067 I C 3.071 179.008 176.117 -0.301 0.000 1.097 1067 I CA 1.713 62.717 61.300 -0.492 0.000 1.363 1067 I CB -0.606 37.228 38.000 -0.277 0.000 1.051 1067 I HN 0.285 nan 8.210 nan 0.000 0.413 1068 K N 1.103 121.365 120.400 -0.231 0.000 1.973 1068 K HA -0.216 4.104 4.320 0.000 0.000 0.212 1068 K C 2.268 178.775 176.600 -0.155 0.000 1.047 1068 K CA 2.105 58.299 56.287 -0.155 0.000 0.937 1068 K CB -1.610 30.817 32.500 -0.122 0.000 0.721 1068 K HN 0.549 nan 8.250 nan 0.000 0.440 1069 S N 1.048 116.640 115.700 -0.180 0.000 2.374 1069 S HA -0.174 4.296 4.470 0.000 0.000 0.227 1069 S C 2.210 176.724 174.600 -0.144 0.000 1.037 1069 S CA 1.590 59.701 58.200 -0.148 0.000 1.024 1069 S CB -0.631 62.475 63.200 -0.157 0.000 0.861 1069 S HN 0.482 nan 8.310 nan 0.000 0.456 1070 I N 2.616 123.061 120.570 -0.209 0.000 2.113 1070 I HA -0.203 3.967 4.170 0.000 0.000 0.238 1070 I C 3.082 179.136 176.117 -0.105 0.000 1.070 1070 I CA 1.674 62.868 61.300 -0.175 0.000 1.332 1070 I CB -0.676 37.145 38.000 -0.298 0.000 1.044 1070 I HN 0.531 nan 8.210 nan 0.000 0.402 1071 S N 0.001 115.632 115.700 -0.115 0.000 2.383 1071 S HA -0.233 4.237 4.470 0.000 0.000 0.227 1071 S C 1.854 176.428 174.600 -0.044 0.000 1.026 1071 S CA 1.320 59.486 58.200 -0.057 0.000 0.981 1071 S CB -0.441 62.727 63.200 -0.053 0.000 0.818 1071 S HN 0.428 nan 8.310 nan 0.000 0.472 1072 E N 1.894 122.059 120.200 -0.058 0.000 2.051 1072 E HA -0.112 4.239 4.350 0.000 0.000 0.192 1072 E C 1.614 178.193 176.600 -0.034 0.000 0.991 1072 E CA 1.423 57.797 56.400 -0.044 0.000 0.799 1072 E CB -0.138 29.532 29.700 -0.051 0.000 0.748 1072 E HN 0.518 nan 8.360 nan 0.000 0.449 1073 N N 0.197 118.873 118.700 -0.040 0.000 2.409 1073 N HA -0.049 4.691 4.740 0.000 0.000 0.179 1073 N C -0.108 175.392 175.510 -0.016 0.000 1.032 1073 N CA 0.664 53.697 53.050 -0.028 0.000 0.898 1073 N CB 0.443 38.911 38.487 -0.032 0.000 0.971 1073 N HN 0.007 nan 8.380 nan 0.000 0.441 1074 E N -0.395 119.797 120.200 -0.015 0.000 2.923 1074 E HA 0.137 4.487 4.350 0.000 0.000 0.266 1074 E C 0.157 176.761 176.600 0.007 0.000 1.157 1074 E CA -0.097 56.303 56.400 0.000 0.000 0.795 1074 E CB 0.512 30.218 29.700 0.010 0.000 1.454 1074 E HN 0.125 nan 8.360 nan 0.000 0.386 1075 S N 0.208 115.910 115.700 0.004 0.000 2.402 1075 S HA -0.230 4.240 4.470 0.000 0.000 0.233 1075 S C 1.809 176.420 174.600 0.019 0.000 1.030 1075 S CA 1.734 59.938 58.200 0.006 0.000 1.003 1075 S CB -0.158 63.043 63.200 0.002 0.000 0.813 1075 S HN 0.330 nan 8.310 nan 0.000 0.477 1076 S N 0.833 116.547 115.700 0.024 0.000 2.453 1076 S HA 0.012 4.483 4.470 0.000 0.000 0.231 1076 S C 0.825 175.457 174.600 0.053 0.000 1.005 1076 S CA 0.480 58.699 58.200 0.032 0.000 0.949 1076 S CB -1.202 62.014 63.200 0.026 0.000 0.774 1076 S HN 0.448 nan 8.310 nan 0.000 0.510 1077 T N 3.899 118.493 114.554 0.066 0.000 2.829 1077 T HA 0.064 4.414 4.350 0.000 0.000 0.293 1077 T C -0.302 174.480 174.700 0.136 0.000 0.970 1077 T CA 0.070 62.237 62.100 0.111 0.000 1.168 1077 T CB 0.276 69.224 68.868 0.133 0.000 0.911 1077 T HN 0.300 nan 8.240 nan 0.000 0.535 1078 D N 3.795 124.287 120.400 0.154 0.000 2.358 1078 D HA 0.015 4.655 4.640 0.000 0.000 0.258 1078 D C 0.644 177.084 176.300 0.233 0.000 1.223 1078 D CA -0.210 53.882 54.000 0.155 0.000 0.886 1078 D CB 0.602 41.483 40.800 0.135 0.000 1.120 1078 D HN 0.333 nan 8.370 nan 0.000 0.482 1079 M N 2.904 122.631 119.600 0.213 0.000 2.383 1079 M HA 0.011 4.491 4.480 0.000 0.000 0.247 1079 M C 1.626 178.063 176.300 0.229 0.000 1.117 1079 M CA -0.063 55.425 55.300 0.313 0.000 0.995 1079 M CB -0.554 32.175 32.600 0.215 0.000 1.480 1079 M HN 0.236 nan 8.290 nan 0.000 0.485 1080 T N 2.000 116.632 114.554 0.129 0.000 2.597 1080 T HA -0.166 4.184 4.350 0.000 0.000 0.267 1080 T C 1.935 176.636 174.700 0.001 0.000 1.053 1080 T CA 1.718 63.859 62.100 0.070 0.000 1.165 1080 T CB -0.203 68.709 68.868 0.073 0.000 0.863 1080 T HN 0.351 nan 8.240 nan 0.000 0.427 1081 I N -0.953 119.520 120.570 -0.161 0.000 2.226 1081 I HA -0.188 3.982 4.170 0.000 0.000 0.245 1081 I C 2.350 178.210 176.117 -0.428 0.000 1.100 1081 I CA 1.425 62.438 61.300 -0.478 0.000 1.374 1081 I CB -0.392 36.959 38.000 -1.082 0.000 1.057 1081 I HN 0.357 nan 8.210 nan 0.000 0.413 1082 W N 1.153 122.331 121.300 -0.203 0.000 2.315 1082 W HA -0.289 4.371 4.660 0.000 0.000 0.323 1082 W C 2.832 179.380 176.519 0.049 0.000 1.233 1082 W CA 1.290 58.669 57.345 0.056 0.000 1.267 1082 W CB -0.439 29.137 29.460 0.193 0.000 1.160 1082 W HN 0.128 nan 8.180 nan 0.000 0.474 1083 Q N -0.644 119.332 119.800 0.294 0.000 2.172 1083 Q HA -0.175 4.165 4.340 0.000 0.000 0.200 1083 Q C 2.126 178.207 176.000 0.136 0.000 0.964 1083 Q CA 1.227 57.146 55.803 0.193 0.000 0.855 1083 Q CB -0.501 28.322 28.738 0.141 0.000 0.918 1083 Q HN 0.263 nan 8.270 nan 0.000 0.444 1084 L N 0.538 121.813 121.223 0.087 0.000 2.017 1084 L HA -0.154 4.186 4.340 0.000 0.000 0.208 1084 L C 1.852 178.782 176.870 0.100 0.000 1.073 1084 L CA 1.676 56.557 54.840 0.070 0.000 0.745 1084 L CB -0.452 41.619 42.059 0.021 0.000 0.894 1084 L HN 0.199 nan 8.230 nan 0.000 0.432 1085 L N -0.536 120.741 121.223 0.091 0.000 2.131 1085 L HA -0.214 4.126 4.340 0.000 0.000 0.210 1085 L C 2.604 179.618 176.870 0.242 0.000 1.092 1085 L CA 1.581 56.528 54.840 0.178 0.000 0.759 1085 L CB -0.552 41.602 42.059 0.158 0.000 0.903 1085 L HN 0.473 nan 8.230 nan 0.000 0.435 1086 E N 0.249 120.595 120.200 0.243 0.000 2.051 1086 E HA -0.248 4.103 4.350 0.000 0.000 0.192 1086 E C 2.352 179.056 176.600 0.173 0.000 0.991 1086 E CA 1.266 57.808 56.400 0.237 0.000 0.799 1086 E CB -0.008 29.826 29.700 0.223 0.000 0.748 1086 E HN 0.400 nan 8.360 nan 0.000 0.449 1087 M N 0.427 120.107 119.600 0.133 0.000 2.082 1087 M HA -0.226 4.255 4.480 0.000 0.000 0.258 1087 M C 2.284 178.633 176.300 0.083 0.000 1.071 1087 M CA 1.838 57.191 55.300 0.088 0.000 1.103 1087 M CB -0.306 32.331 32.600 0.062 0.000 1.307 1087 M HN -0.027 nan 8.290 nan 0.000 0.409 1088 K N 0.091 120.555 120.400 0.106 0.000 2.280 1088 K HA -0.151 4.169 4.320 0.000 0.000 0.202 1088 K C 1.774 178.453 176.600 0.132 0.000 1.047 1088 K CA 0.893 57.241 56.287 0.103 0.000 0.942 1088 K CB -0.330 32.264 32.500 0.157 0.000 0.739 1088 K HN 0.188 nan 8.250 nan 0.000 0.457 1089 L N 1.248 122.583 121.223 0.186 0.000 2.291 1089 L HA -0.036 4.304 4.340 0.000 0.000 0.214 1089 L C 1.044 178.009 176.870 0.158 0.000 1.120 1089 L CA 1.549 56.529 54.840 0.233 0.000 0.799 1089 L CB -0.128 42.111 42.059 0.299 0.000 0.925 1089 L HN 0.096 nan 8.230 nan 0.000 0.446 1090 N N -0.441 118.320 118.700 0.102 0.000 2.388 1090 N HA -0.022 4.719 4.740 0.000 0.000 0.176 1090 N C 0.089 175.601 175.510 0.003 0.000 1.062 1090 N CA 0.814 53.899 53.050 0.058 0.000 0.895 1090 N CB 0.112 38.634 38.487 0.059 0.000 1.018 1090 N HN 0.190 nan 8.380 nan 0.000 0.456 1091 D N -0.293 120.099 120.400 -0.013 0.000 3.077 1091 D HA -0.167 4.473 4.640 0.000 0.000 0.217 1091 D C -0.160 176.114 176.300 -0.045 0.000 1.162 1091 D CA 0.859 54.828 54.000 -0.051 0.000 0.943 1091 D CB -1.183 39.571 40.800 -0.077 0.000 1.122 1091 D HN 0.297 nan 8.370 nan 0.000 0.413 1092 K N 0.426 120.814 120.400 -0.020 0.000 3.100 1092 K HA 0.277 4.597 4.320 0.000 0.000 0.256 1092 K C -0.340 176.243 176.600 -0.028 0.000 1.146 1092 K CA -0.103 56.174 56.287 -0.016 0.000 1.233 1092 K CB 1.043 33.547 32.500 0.007 0.000 1.226 1092 K HN 0.105 nan 8.250 nan 0.000 0.442 1093 V N 0.327 120.201 119.914 -0.067 0.000 2.378 1093 V HA 0.530 4.650 4.120 0.000 0.000 0.288 1093 V C -1.043 174.935 176.094 -0.193 0.000 1.016 1093 V CA -0.300 61.935 62.300 -0.110 0.000 0.840 1093 V CB 1.006 32.754 31.823 -0.124 0.000 0.994 1093 V HN 0.418 nan 8.190 nan 0.000 0.431 1094 N N 3.956 122.559 118.700 -0.162 0.000 2.240 1094 N HA 0.403 5.143 4.740 0.000 0.000 0.302 1094 N C -0.003 175.434 175.510 -0.122 0.000 1.106 1094 N CA -0.236 52.698 53.050 -0.194 0.000 0.778 1094 N CB 0.980 39.435 38.487 -0.053 0.000 1.431 1094 N HN 0.848 nan 8.380 nan 0.000 0.479 1095 W N 0.464 121.803 121.300 0.066 0.000 2.331 1095 W HA -0.107 4.553 4.660 0.000 0.000 0.291 1095 W C 2.694 179.258 176.519 0.076 0.000 1.214 1095 W CA 1.995 59.388 57.345 0.079 0.000 1.228 1095 W CB -0.032 29.481 29.460 0.088 0.000 1.135 1095 W HN 0.880 nan 8.180 nan 0.000 0.537 1096 K N 1.163 121.715 120.400 0.254 0.000 2.002 1096 K HA -0.214 4.106 4.320 0.000 0.000 0.209 1096 K C 1.299 177.977 176.600 0.130 0.000 1.048 1096 K CA 1.921 58.309 56.287 0.168 0.000 0.930 1096 K CB -1.631 30.938 32.500 0.116 0.000 0.714 1096 K HN 0.523 nan 8.250 nan 0.000 0.438 1097 N N 0.345 119.099 118.700 0.092 0.000 2.084 1097 N HA -0.042 4.698 4.740 0.000 0.000 0.190 1097 N C 1.923 177.487 175.510 0.090 0.000 1.030 1097 N CA 1.601 54.691 53.050 0.068 0.000 0.849 1097 N CB -0.284 38.222 38.487 0.032 0.000 1.012 1097 N HN 0.394 nan 8.380 nan 0.000 0.423 1098 I N 0.162 120.802 120.570 0.116 0.000 2.226 1098 I HA -0.257 3.913 4.170 0.000 0.000 0.245 1098 I C 2.539 178.759 176.117 0.172 0.000 1.100 1098 I CA 0.784 62.175 61.300 0.150 0.000 1.374 1098 I CB -0.343 37.786 38.000 0.214 0.000 1.057 1098 I HN 0.197 nan 8.210 nan 0.000 0.413 1099 S N 1.069 116.890 115.700 0.201 0.000 2.359 1099 S HA -0.271 4.199 4.470 0.000 0.000 0.224 1099 S C 2.420 177.109 174.600 0.149 0.000 1.035 1099 S CA 2.272 60.583 58.200 0.186 0.000 1.018 1099 S CB -0.268 63.047 63.200 0.192 0.000 0.876 1099 S HN 0.438 nan 8.310 nan 0.000 0.448 1100 K N 0.897 121.368 120.400 0.119 0.000 2.211 1100 K HA 0.117 4.437 4.320 0.000 0.000 0.203 1100 K C 1.993 178.628 176.600 0.058 0.000 1.050 1100 K CA 1.413 57.748 56.287 0.080 0.000 0.945 1100 K CB -1.208 31.326 32.500 0.057 0.000 0.732 1100 K HN 0.453 nan 8.250 nan 0.000 0.451 1101 L N 0.389 121.653 121.223 0.069 0.000 2.027 1101 L HA 0.048 4.389 4.340 0.000 0.000 0.206 1101 L C 2.373 179.268 176.870 0.043 0.000 1.074 1101 L CA 1.498 56.370 54.840 0.054 0.000 0.745 1101 L CB -0.309 41.791 42.059 0.068 0.000 0.898 1101 L HN 0.386 nan 8.230 nan 0.000 0.433 1102 L N -1.990 119.268 121.223 0.059 0.000 2.046 1102 L HA -0.169 4.171 4.340 0.000 0.000 0.208 1102 L C 0.162 177.064 176.870 0.053 0.000 1.077 1102 L CA 1.112 55.959 54.840 0.011 0.000 0.747 1102 L CB -0.274 41.795 42.059 0.015 0.000 0.896 1102 L HN 0.312 nan 8.230 nan 0.000 0.432 1103 Y N -0.212 120.055 120.300 -0.055 0.000 2.330 1103 Y HA 0.289 4.839 4.550 0.000 0.000 0.324 1103 Y C -0.422 175.469 175.900 -0.015 0.000 1.093 1103 Y CA -1.725 56.343 58.100 -0.053 0.000 1.103 1103 Y CB 0.765 39.197 38.460 -0.047 0.000 1.183 1103 Y HN -0.090 nan 8.280 nan 0.000 0.433 1104 N N 2.629 121.073 118.700 -0.426 0.000 2.416 1104 N HA 0.042 4.782 4.740 0.000 0.000 0.265 1104 N C 0.526 175.776 175.510 -0.433 0.000 1.195 1104 N CA 0.946 53.799 53.050 -0.328 0.000 0.943 1104 N CB 1.012 39.341 38.487 -0.263 0.000 1.115 1104 N HN 0.609 nan 8.380 nan 0.000 0.481 1105 S N 1.686 117.301 115.700 -0.143 0.000 2.558 1105 S HA 0.015 4.485 4.470 0.000 0.000 0.217 1105 S C 0.765 175.350 174.600 -0.024 0.000 0.975 1105 S CA -0.070 58.118 58.200 -0.019 0.000 0.912 1105 S CB 0.111 63.371 63.200 0.100 0.000 0.776 1105 S HN 0.485 nan 8.310 nan 0.000 0.526 1106 D N 2.636 123.002 120.400 -0.057 0.000 2.218 1106 D HA -0.097 4.543 4.640 0.000 0.000 0.204 1106 D C 1.772 178.059 176.300 -0.021 0.000 0.976 1106 D CA 1.161 55.144 54.000 -0.029 0.000 0.853 1106 D CB -0.293 40.486 40.800 -0.036 0.000 0.939 1106 D HN 0.677 nan 8.370 nan 0.000 0.481 1107 E N 0.280 120.450 120.200 -0.052 0.000 2.118 1107 E HA -0.135 4.215 4.350 0.000 0.000 0.195 1107 E C 2.190 178.813 176.600 0.037 0.000 0.992 1107 E CA 0.594 56.980 56.400 -0.023 0.000 0.804 1107 E CB -0.138 29.524 29.700 -0.063 0.000 0.741 1107 E HN 0.307 nan 8.360 nan 0.000 0.458 1108 L N 0.550 121.809 121.223 0.058 0.000 2.156 1108 L HA -0.109 4.231 4.340 0.000 0.000 0.208 1108 L C 2.324 179.273 176.870 0.133 0.000 1.095 1108 L CA 0.492 55.407 54.840 0.126 0.000 0.770 1108 L CB -0.251 41.887 42.059 0.131 0.000 0.914 1108 L HN 0.147 nan 8.230 nan 0.000 0.439 1109 L N -1.024 120.241 121.223 0.069 0.000 2.131 1109 L HA -0.224 4.117 4.340 0.000 0.000 0.210 1109 L C 2.735 179.629 176.870 0.039 0.000 1.092 1109 L CA 0.870 55.734 54.840 0.041 0.000 0.759 1109 L CB -0.466 41.605 42.059 0.021 0.000 0.903 1109 L HN 0.323 nan 8.230 nan 0.000 0.435 1110 M N -0.855 118.780 119.600 0.058 0.000 2.065 1110 M HA -0.279 4.202 4.480 0.000 0.000 0.259 1110 M C 2.444 178.795 176.300 0.084 0.000 1.069 1110 M CA 1.952 57.288 55.300 0.059 0.000 1.110 1110 M CB -1.318 31.319 32.600 0.063 0.000 1.328 1110 M HN 0.238 nan 8.290 nan 0.000 0.405 1111 Y N 1.118 121.418 120.300 0.000 0.000 2.207 1111 Y HA -0.202 4.348 4.550 0.000 0.000 0.287 1111 Y C 2.119 178.013 175.900 -0.010 0.000 1.156 1111 Y CA 1.532 59.632 58.100 0.001 0.000 1.182 1111 Y CB -0.195 38.264 38.460 -0.001 0.000 0.979 1111 Y HN 0.098 nan 8.280 nan 0.000 0.521 1112 L N 0.018 121.122 121.223 -0.198 0.000 2.313 1112 L HA -0.126 4.214 4.340 0.000 0.000 0.214 1112 L C 2.607 179.361 176.870 -0.194 0.000 1.119 1112 L CA 1.110 55.769 54.840 -0.301 0.000 0.809 1112 L CB -0.566 41.409 42.059 -0.140 0.000 0.933 1112 L HN 0.379 nan 8.230 nan 0.000 0.449 1113 S N -0.898 114.739 115.700 -0.105 0.000 2.414 1113 S HA -0.070 4.400 4.470 0.000 0.000 0.227 1113 S C 1.393 175.961 174.600 -0.053 0.000 1.022 1113 S CA 0.527 58.692 58.200 -0.059 0.000 0.958 1113 S CB -0.773 62.413 63.200 -0.024 0.000 0.797 1113 S HN 0.421 nan 8.310 nan 0.000 0.493 1114 Q N 2.729 122.488 119.800 -0.069 0.000 2.269 1114 Q HA 0.355 4.695 4.340 0.000 0.000 0.300 1114 Q C -2.378 173.614 176.000 -0.013 0.000 1.070 1114 Q CA -0.997 54.786 55.803 -0.033 0.000 0.957 1114 Q CB -1.649 27.076 28.738 -0.021 0.000 1.131 1114 Q HN 0.507 nan 8.270 nan 0.000 0.377 1115 P HA 0.201 nan 4.420 nan 0.000 0.263 1115 P C -1.033 176.336 177.300 0.116 0.000 1.175 1115 P CA 0.130 63.258 63.100 0.046 0.000 0.761 1115 P CB 0.145 31.857 31.700 0.021 0.000 0.794 1116 F N 3.910 123.823 119.950 -0.061 0.000 2.540 1116 F HA 0.484 5.011 4.527 -0.000 0.000 0.317 1116 F C -2.136 173.643 175.800 -0.035 0.000 1.104 1116 F CA -2.879 55.087 58.000 -0.057 0.000 0.913 1116 F CB 0.917 39.869 39.000 -0.080 0.000 1.170 1116 F HN 0.229 nan 8.300 nan 0.000 0.450 1117 P HA 0.190 nan 4.420 nan 0.000 0.261 1117 P C -0.225 176.819 177.300 -0.427 0.000 1.203 1117 P CA 0.337 63.106 63.100 -0.551 0.000 0.767 1117 P CB 0.139 31.469 31.700 -0.616 0.000 0.785 1118 N N 1.758 120.360 118.700 -0.163 0.000 2.380 1118 N HA 0.341 5.082 4.740 0.000 0.000 0.255 1118 N C 0.702 176.180 175.510 -0.054 0.000 1.158 1118 N CA -0.092 52.926 53.050 -0.053 0.000 0.878 1118 N CB 0.460 38.951 38.487 0.007 0.000 1.138 1118 N HN 0.563 nan 8.380 nan 0.000 0.509 1119 G N -0.814 107.932 108.800 -0.090 0.000 2.543 1119 G HA2 0.418 4.379 3.960 0.000 0.000 0.290 1119 G HA3 0.418 4.379 3.960 0.000 0.000 0.290 1119 G C -0.355 174.517 174.900 -0.046 0.000 1.310 1119 G CA -0.077 44.985 45.100 -0.064 0.000 1.025 1119 G HN 0.327 nan 8.290 nan 0.000 0.502 1120 D N -1.011 119.367 120.400 -0.037 0.000 2.273 1120 D HA 0.430 5.070 4.640 0.000 0.000 0.247 1120 D C 0.355 176.638 176.300 -0.029 0.000 1.313 1120 D CA 0.372 54.355 54.000 -0.027 0.000 0.974 1120 D CB 0.533 41.319 40.800 -0.024 0.000 1.157 1120 D HN 0.333 nan 8.370 nan 0.000 0.533 1121 M N -0.549 119.037 119.600 -0.022 0.000 2.523 1121 M HA 0.464 4.944 4.480 0.000 0.000 0.287 1121 M C -1.489 174.797 176.300 -0.023 0.000 1.160 1121 M CA -0.464 54.824 55.300 -0.021 0.000 0.902 1121 M CB 1.295 33.888 32.600 -0.011 0.000 1.752 1121 M HN 0.300 nan 8.290 nan 0.000 0.504 1122 I N 2.089 122.644 120.570 -0.025 0.000 2.638 1122 I HA 0.700 4.870 4.170 0.000 0.000 0.286 1122 I C -2.344 173.747 176.117 -0.043 0.000 1.088 1122 I CA -1.777 59.504 61.300 -0.032 0.000 1.397 1122 I CB -0.557 37.425 38.000 -0.030 0.000 1.414 1122 I HN 0.575 nan 8.210 nan 0.000 0.566 1123 P HA 0.204 nan 4.420 nan 0.000 0.267 1123 P C -0.192 177.037 177.300 -0.119 0.000 1.209 1123 P CA 0.332 63.379 63.100 -0.089 0.000 0.763 1123 P CB 0.412 32.049 31.700 -0.104 0.000 0.816 1124 N N 1.281 119.907 118.700 -0.124 0.000 2.118 1124 N HA 0.252 4.992 4.740 0.000 0.000 0.226 1124 N C -0.236 175.180 175.510 -0.157 0.000 1.305 1124 N CA -0.270 52.707 53.050 -0.121 0.000 0.890 1124 N CB 0.577 39.037 38.487 -0.046 0.000 1.118 1124 N HN 0.306 nan 8.380 nan 0.000 0.511 1125 A N -0.136 122.554 122.820 -0.217 0.000 2.443 1125 A HA 0.803 5.123 4.320 0.000 0.000 0.278 1125 A C -1.646 175.676 177.584 -0.437 0.000 1.252 1125 A CA -0.551 51.392 52.037 -0.156 0.000 0.816 1125 A CB 0.976 20.004 19.000 0.047 0.000 1.369 1125 A HN 0.096 nan 8.150 nan 0.000 0.446 1126 Y N -0.757 119.567 120.300 0.040 0.000 2.562 1126 Y HA 0.801 5.351 4.550 -0.000 0.000 0.343 1126 Y C 0.324 176.210 175.900 -0.022 0.000 1.025 1126 Y CA -0.551 57.545 58.100 -0.005 0.000 1.082 1126 Y CB 1.969 40.408 38.460 -0.036 0.000 1.264 1126 Y HN 0.790 nan 8.280 nan 0.000 0.478 1127 R N 1.599 122.177 120.500 0.129 0.000 2.561 1127 R HA 0.406 4.746 4.340 0.000 0.000 0.266 1127 R C -2.198 174.128 176.300 0.043 0.000 1.091 1127 R CA -0.885 55.246 56.100 0.052 0.000 0.927 1127 R CB 1.178 31.493 30.300 0.024 0.000 1.240 1127 R HN 0.642 nan 8.270 nan 0.000 0.449 1128 L N 4.478 125.712 121.223 0.018 0.000 2.540 1128 L HA 0.036 4.376 4.340 0.000 0.000 0.276 1128 L C 0.272 177.151 176.870 0.015 0.000 1.212 1128 L CA 0.762 55.610 54.840 0.013 0.000 0.893 1128 L CB 0.159 42.222 42.059 0.006 0.000 1.138 1128 L HN 0.662 nan 8.230 nan 0.000 0.491 1129 D N 2.180 122.590 120.400 0.016 0.000 2.433 1129 D HA 0.198 4.838 4.640 0.000 0.000 0.255 1129 D C 1.517 177.820 176.300 0.005 0.000 1.226 1129 D CA 0.192 54.199 54.000 0.011 0.000 1.015 1129 D CB 0.206 41.013 40.800 0.012 0.000 1.091 1129 D HN 0.349 nan 8.370 nan 0.000 0.527 1130 I N 0.020 120.590 120.570 0.001 0.000 2.151 1130 I HA -0.329 3.841 4.170 0.000 0.000 0.243 1130 I C 2.056 178.168 176.117 -0.008 0.000 1.080 1130 I CA 2.233 63.531 61.300 -0.003 0.000 1.339 1130 I CB -1.538 36.459 38.000 -0.005 0.000 1.039 1130 I HN 0.427 nan 8.210 nan 0.000 0.409 1131 N N 0.572 119.267 118.700 -0.008 0.000 2.000 1131 N HA -0.192 4.548 4.740 0.000 0.000 0.198 1131 N C 1.906 177.406 175.510 -0.016 0.000 1.057 1131 N CA 2.277 55.318 53.050 -0.015 0.000 0.858 1131 N CB -0.996 37.484 38.487 -0.013 0.000 1.057 1131 N HN 0.740 nan 8.380 nan 0.000 0.423 1132 C N 1.012 120.309 119.300 -0.004 0.000 2.403 1132 C HA -0.117 4.343 4.460 0.000 0.000 0.277 1132 C C 2.771 177.767 174.990 0.010 0.000 1.248 1132 C CA 0.465 59.487 59.018 0.007 0.000 1.762 1132 C CB -1.229 26.520 27.740 0.014 0.000 2.014 1132 C HN 0.542 nan 8.230 nan 0.000 0.486 1133 Q N 0.140 119.944 119.800 0.006 0.000 2.096 1133 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 1133 Q C 2.268 178.268 176.000 0.000 0.000 0.982 1133 Q CA 1.649 57.457 55.803 0.008 0.000 0.850 1133 Q CB -0.145 28.596 28.738 0.004 0.000 0.901 1133 Q HN 0.675 nan 8.270 nan 0.000 0.422 1134 M N -0.504 119.086 119.600 -0.016 0.000 2.117 1134 M HA -0.185 4.295 4.480 0.000 0.000 0.262 1134 M C 2.188 178.448 176.300 -0.066 0.000 1.065 1134 M CA 1.505 56.785 55.300 -0.035 0.000 1.114 1134 M CB -0.233 32.342 32.600 -0.042 0.000 1.361 1134 M HN 0.145 nan 8.290 nan 0.000 0.408 1135 R N -0.159 120.289 120.500 -0.085 0.000 2.083 1135 R HA -0.128 4.213 4.340 0.000 0.000 0.237 1135 R C 2.171 178.397 176.300 -0.122 0.000 1.137 1135 R CA 1.482 57.466 56.100 -0.194 0.000 0.951 1135 R CB -0.813 29.401 30.300 -0.144 0.000 0.851 1135 R HN 0.244 nan 8.270 nan 0.000 0.434 1136 V N 1.531 121.487 119.914 0.070 0.000 2.332 1136 V HA -0.245 3.875 4.120 0.000 0.000 0.248 1136 V C 2.242 178.419 176.094 0.138 0.000 1.055 1136 V CA 1.604 64.018 62.300 0.190 0.000 1.038 1136 V CB -0.529 31.367 31.823 0.121 0.000 0.651 1136 V HN 0.247 nan 8.190 nan 0.000 0.450 1137 L N 1.066 122.322 121.223 0.055 0.000 1.994 1137 L HA -0.082 4.259 4.340 0.000 0.000 0.208 1137 L C 2.485 179.377 176.870 0.036 0.000 1.071 1137 L CA 2.463 57.329 54.840 0.042 0.000 0.745 1137 L CB -1.233 40.834 42.059 0.014 0.000 0.892 1137 L HN 0.223 nan 8.230 nan 0.000 0.431 1138 A N -0.969 121.833 122.820 -0.029 0.000 1.908 1138 A HA -0.239 4.081 4.320 0.000 0.000 0.218 1138 A C 2.153 179.735 177.584 -0.004 0.000 1.181 1138 A CA 1.958 53.955 52.037 -0.068 0.000 0.627 1138 A CB -1.089 17.805 19.000 -0.177 0.000 0.818 1138 A HN 0.465 nan 8.150 nan 0.000 0.445 1139 F N -0.020 119.941 119.950 0.019 0.000 2.126 1139 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 1139 F C 2.165 177.992 175.800 0.045 0.000 1.096 1139 F CA 1.162 59.179 58.000 0.028 0.000 1.255 1139 F CB -0.694 38.325 39.000 0.030 0.000 0.997 1139 F HN 0.106 nan 8.300 nan 0.000 0.479 1140 L N -0.865 120.510 121.223 0.254 0.000 2.109 1140 L HA -0.200 4.141 4.340 0.000 0.000 0.207 1140 L C 2.285 179.234 176.870 0.132 0.000 1.086 1140 L CA 1.053 56.007 54.840 0.190 0.000 0.760 1140 L CB -0.745 41.401 42.059 0.145 0.000 0.910 1140 L HN 0.162 nan 8.230 nan 0.000 0.437 1141 Q N -0.499 119.358 119.800 0.096 0.000 2.364 1141 Q HA -0.146 4.195 4.340 0.000 0.000 0.209 1141 Q C 1.730 177.764 176.000 0.057 0.000 0.977 1141 Q CA 1.772 57.611 55.803 0.060 0.000 0.885 1141 Q CB -0.050 28.708 28.738 0.034 0.000 0.941 1141 Q HN 0.617 nan 8.270 nan 0.000 0.464 1142 T N -4.916 109.687 114.554 0.081 0.000 3.054 1142 T HA 0.350 4.700 4.350 0.000 0.000 0.255 1142 T C 1.186 175.917 174.700 0.052 0.000 1.035 1142 T CA 0.302 62.443 62.100 0.069 0.000 0.941 1142 T CB 0.893 69.816 68.868 0.092 0.000 1.026 1142 T HN 0.329 nan 8.240 nan 0.000 0.533 1143 G N 1.944 110.776 108.800 0.054 0.000 2.136 1143 G HA2 -0.253 3.707 3.960 0.000 0.000 0.242 1143 G HA3 -0.253 3.707 3.960 0.000 0.000 0.242 1143 G C 0.027 174.866 174.900 -0.102 0.000 0.989 1143 G CA -0.114 44.966 45.100 -0.033 0.000 0.682 1143 G HN 0.610 nan 8.290 nan 0.000 0.522 1144 N N 0.577 119.297 118.700 0.034 0.000 2.868 1144 N HA 0.308 5.048 4.740 0.000 0.000 0.252 1144 N C 1.387 176.913 175.510 0.027 0.000 1.130 1144 N CA -0.109 52.937 53.050 -0.008 0.000 1.026 1144 N CB -0.310 38.200 38.487 0.038 0.000 1.335 1144 N HN 0.597 nan 8.380 nan 0.000 0.516 1145 H N 0.374 119.416 119.070 -0.046 0.000 2.321 1145 H HA -0.106 4.450 4.556 -0.000 0.000 0.300 1145 H C 0.481 175.748 175.328 -0.103 0.000 1.087 1145 H CA 1.269 57.288 56.048 -0.049 0.000 1.319 1145 H CB 0.584 30.336 29.762 -0.017 0.000 1.379 1145 H HN 0.462 nan 8.280 nan 0.000 0.501 1146 D N 0.367 120.777 120.400 0.017 0.000 2.117 1146 D HA -0.139 4.502 4.640 0.000 0.000 0.197 1146 D C 2.085 178.278 176.300 -0.179 0.000 0.987 1146 D CA 1.080 55.045 54.000 -0.059 0.000 0.829 1146 D CB -0.103 40.664 40.800 -0.055 0.000 0.961 1146 D HN 0.265 nan 8.370 nan 0.000 0.460 1147 E N 0.094 120.087 120.200 -0.346 0.000 2.152 1147 E HA 0.030 4.380 4.350 0.000 0.000 0.192 1147 E C 1.894 178.031 176.600 -0.772 0.000 0.983 1147 E CA 0.904 56.900 56.400 -0.673 0.000 0.818 1147 E CB -0.274 28.744 29.700 -1.136 0.000 0.758 1147 E HN 0.214 nan 8.360 nan 0.000 0.467 1148 A N 0.296 122.788 122.820 -0.546 0.000 1.877 1148 A HA -0.142 4.178 4.320 0.000 0.000 0.216 1148 A C 2.131 179.664 177.584 -0.084 0.000 1.186 1148 A CA 1.434 53.366 52.037 -0.175 0.000 0.620 1148 A CB -0.709 18.302 19.000 0.018 0.000 0.822 1148 A HN 0.349 nan 8.150 nan 0.000 0.443 1149 L N 0.160 121.332 121.223 -0.086 0.000 2.056 1149 L HA -0.096 4.244 4.340 0.000 0.000 0.207 1149 L C 2.487 179.320 176.870 -0.063 0.000 1.078 1149 L CA 2.482 57.291 54.840 -0.053 0.000 0.749 1149 L CB -0.682 41.358 42.059 -0.032 0.000 0.901 1149 L HN 0.518 nan 8.230 nan 0.000 0.433 1150 R N -0.719 119.727 120.500 -0.090 0.000 2.091 1150 R HA -0.215 4.125 4.340 0.000 0.000 0.238 1150 R C 2.212 178.476 176.300 -0.060 0.000 1.136 1150 R CA 2.110 58.165 56.100 -0.076 0.000 0.959 1150 R CB -0.625 29.619 30.300 -0.093 0.000 0.856 1150 R HN 0.429 nan 8.270 nan 0.000 0.437 1151 L N 0.522 121.714 121.223 -0.053 0.000 2.056 1151 L HA 0.084 4.424 4.340 0.000 0.000 0.207 1151 L C 2.279 179.135 176.870 -0.023 0.000 1.078 1151 L CA 2.065 56.907 54.840 0.003 0.000 0.749 1151 L CB -0.707 41.419 42.059 0.112 0.000 0.901 1151 L HN 0.287 nan 8.230 nan 0.000 0.433 1152 A N -0.664 122.135 122.820 -0.035 0.000 1.969 1152 A HA -0.105 4.215 4.320 0.000 0.000 0.218 1152 A C 2.237 179.735 177.584 -0.143 0.000 1.169 1152 A CA 1.764 53.759 52.037 -0.070 0.000 0.635 1152 A CB -0.735 18.232 19.000 -0.054 0.000 0.810 1152 A HN 0.500 nan 8.150 nan 0.000 0.445 1153 L N 0.186 121.339 121.223 -0.118 0.000 2.131 1153 L HA -0.106 4.234 4.340 0.000 0.000 0.206 1153 L C 2.850 179.629 176.870 -0.152 0.000 1.087 1153 L CA 1.388 56.142 54.840 -0.142 0.000 0.767 1153 L CB -0.367 41.664 42.059 -0.046 0.000 0.917 1153 L HN 0.586 nan 8.230 nan 0.000 0.441 1154 S N -1.094 114.541 115.700 -0.108 0.000 2.481 1154 S HA -0.051 4.419 4.470 0.000 0.000 0.231 1154 S C 1.630 176.146 174.600 -0.140 0.000 0.996 1154 S CA 0.476 58.616 58.200 -0.100 0.000 0.942 1154 S CB -0.041 63.122 63.200 -0.061 0.000 0.768 1154 S HN 0.247 nan 8.310 nan 0.000 0.520 1155 K N 0.878 121.183 120.400 -0.158 0.000 2.358 1155 K HA 0.289 4.610 4.320 0.000 0.000 0.200 1155 K C 0.095 176.543 176.600 -0.253 0.000 1.030 1155 K CA -0.154 56.028 56.287 -0.174 0.000 1.097 1155 K CB 0.027 32.471 32.500 -0.093 0.000 0.862 1155 K HN 0.399 nan 8.250 nan 0.000 0.534 1156 R N 1.405 121.692 120.500 -0.356 0.000 3.641 1156 R HA -0.149 4.191 4.340 0.000 0.000 0.286 1156 R C -0.393 175.545 176.300 -0.603 0.000 1.153 1156 R CA 0.685 56.432 56.100 -0.588 0.000 0.775 1156 R CB -1.740 28.350 30.300 -0.350 0.000 1.215 1156 R HN 0.150 nan 8.270 nan 0.000 0.474 1157 D N 0.150 120.292 120.400 -0.431 0.000 2.479 1157 D HA 0.095 4.735 4.640 0.000 0.000 0.218 1157 D C 0.447 176.591 176.300 -0.260 0.000 1.131 1157 D CA -0.315 53.542 54.000 -0.237 0.000 0.916 1157 D CB 0.147 40.888 40.800 -0.099 0.000 1.022 1157 D HN 0.160 nan 8.370 nan 0.000 0.515 1158 Y N 1.643 121.941 120.300 -0.004 0.000 2.561 1158 Y HA 0.076 4.626 4.550 0.000 0.000 0.291 1158 Y C 2.211 178.002 175.900 -0.181 0.000 1.141 1158 Y CA 0.461 58.509 58.100 -0.086 0.000 1.303 1158 Y CB -0.184 38.244 38.460 -0.053 0.000 1.015 1158 Y HN 0.474 nan 8.280 nan 0.000 0.547 1159 A N 0.998 123.800 122.820 -0.030 0.000 1.832 1159 A HA -0.132 4.188 4.320 0.000 0.000 0.214 1159 A C 2.117 179.668 177.584 -0.055 0.000 1.200 1159 A CA 1.857 53.850 52.037 -0.073 0.000 0.610 1159 A CB -1.001 17.970 19.000 -0.048 0.000 0.842 1159 A HN 0.439 nan 8.150 nan 0.000 0.444 1160 I N -0.663 119.884 120.570 -0.038 0.000 2.394 1160 I HA -0.146 4.024 4.170 0.000 0.000 0.251 1160 I C 2.709 178.811 176.117 -0.026 0.000 1.136 1160 I CA 1.019 62.305 61.300 -0.022 0.000 1.425 1160 I CB -0.808 37.183 38.000 -0.014 0.000 1.079 1160 I HN 0.275 nan 8.210 nan 0.000 0.425 1161 A N 2.360 125.153 122.820 -0.045 0.000 1.883 1161 A HA -0.150 4.170 4.320 0.000 0.000 0.217 1161 A C 2.405 179.955 177.584 -0.057 0.000 1.186 1161 A CA 1.615 53.627 52.037 -0.042 0.000 0.624 1161 A CB -0.915 18.070 19.000 -0.024 0.000 0.822 1161 A HN 0.434 nan 8.150 nan 0.000 0.444 1162 L N -0.692 120.460 121.223 -0.118 0.000 2.017 1162 L HA -0.212 4.128 4.340 0.000 0.000 0.208 1162 L C 2.666 179.600 176.870 0.106 0.000 1.073 1162 L CA 1.266 55.983 54.840 -0.206 0.000 0.745 1162 L CB -0.630 41.200 42.059 -0.381 0.000 0.894 1162 L HN 0.408 nan 8.230 nan 0.000 0.432 1163 L N -0.982 120.285 121.223 0.074 0.000 1.970 1163 L HA -0.245 4.096 4.340 0.000 0.000 0.212 1163 L C 2.566 179.474 176.870 0.063 0.000 1.071 1163 L CA 1.242 56.138 54.840 0.093 0.000 0.751 1163 L CB -0.780 41.300 42.059 0.036 0.000 0.889 1163 L HN 0.055 nan 8.230 nan 0.000 0.432 1164 V N 0.443 120.367 119.914 0.017 0.000 2.332 1164 V HA -0.260 3.860 4.120 0.000 0.000 0.248 1164 V C 2.639 178.717 176.094 -0.026 0.000 1.055 1164 V CA 2.094 64.374 62.300 -0.033 0.000 1.038 1164 V CB -1.404 30.402 31.823 -0.029 0.000 0.651 1164 V HN 0.629 nan 8.190 nan 0.000 0.450 1165 G N 0.144 108.978 108.800 0.058 0.000 2.450 1165 G HA2 -0.298 3.662 3.960 0.000 0.000 0.220 1165 G HA3 -0.298 3.662 3.960 0.000 0.000 0.220 1165 G C 1.806 176.839 174.900 0.223 0.000 1.130 1165 G CA 1.405 46.587 45.100 0.137 0.000 0.760 1165 G HN 0.677 nan 8.290 nan 0.000 0.557 1166 S N 0.387 116.241 115.700 0.257 0.000 2.447 1166 S HA 0.082 4.552 4.470 0.000 0.000 0.233 1166 S C 2.108 176.689 174.600 -0.032 0.000 1.006 1166 S CA 0.616 58.870 58.200 0.090 0.000 0.957 1166 S CB -0.269 62.939 63.200 0.013 0.000 0.773 1166 S HN 0.305 nan 8.310 nan 0.000 0.507 1167 L N -0.302 120.874 121.223 -0.079 0.000 2.610 1167 L HA 0.274 4.614 4.340 0.000 0.000 0.232 1167 L C 1.915 178.703 176.870 -0.137 0.000 1.149 1167 L CA 0.550 55.288 54.840 -0.170 0.000 0.872 1167 L CB -0.533 41.295 42.059 -0.384 0.000 0.992 1167 L HN 0.380 nan 8.230 nan 0.000 0.447 1168 M N -1.015 118.555 119.600 -0.051 0.000 2.306 1168 M HA 0.357 4.837 4.480 0.000 0.000 0.292 1168 M C 0.574 176.908 176.300 0.058 0.000 1.018 1168 M CA 0.061 55.384 55.300 0.038 0.000 1.007 1168 M CB 1.339 33.969 32.600 0.049 0.000 1.510 1168 M HN 0.166 nan 8.290 nan 0.000 0.537 1169 G N 1.997 110.820 108.800 0.037 0.000 2.570 1169 G HA2 -0.164 3.796 3.960 0.000 0.000 0.686 1169 G HA3 -0.164 3.796 3.960 0.000 0.000 0.686 1169 G C 0.096 175.035 174.900 0.065 0.000 1.257 1169 G CA -0.242 44.877 45.100 0.030 0.000 0.846 1169 G HN 0.444 nan 8.290 nan 0.000 0.627 1170 K N -0.349 120.071 120.400 0.032 0.000 2.211 1170 K HA -0.122 4.198 4.320 0.000 0.000 0.204 1170 K C 1.449 178.152 176.600 0.171 0.000 1.047 1170 K CA 2.305 58.636 56.287 0.074 0.000 0.935 1170 K CB -0.122 32.392 32.500 0.023 0.000 0.728 1170 K HN 0.383 nan 8.250 nan 0.000 0.452 1171 D N 1.303 121.773 120.400 0.115 0.000 2.088 1171 D HA -0.117 4.523 4.640 0.000 0.000 0.191 1171 D C 2.053 178.423 176.300 0.116 0.000 0.992 1171 D CA 1.451 55.511 54.000 0.100 0.000 0.831 1171 D CB -0.122 40.718 40.800 0.067 0.000 0.973 1171 D HN 0.239 nan 8.370 nan 0.000 0.447 1172 R N -0.274 120.296 120.500 0.116 0.000 2.148 1172 R HA -0.066 4.274 4.340 0.000 0.000 0.223 1172 R C 2.267 178.640 176.300 0.121 0.000 1.088 1172 R CA 0.439 56.596 56.100 0.095 0.000 0.985 1172 R CB -0.290 30.055 30.300 0.074 0.000 0.880 1172 R HN 0.424 nan 8.270 nan 0.000 0.451 1173 W N 1.545 122.842 121.300 -0.005 0.000 2.317 1173 W HA -0.272 4.388 4.660 -0.000 0.000 0.318 1173 W C 2.021 178.540 176.519 -0.001 0.000 1.227 1173 W CA 2.036 59.375 57.345 -0.011 0.000 1.269 1173 W CB -0.495 28.956 29.460 -0.014 0.000 1.155 1173 W HN 0.072 nan 8.180 nan 0.000 0.484 1174 S N 0.951 116.757 115.700 0.177 0.000 2.368 1174 S HA -0.249 4.222 4.470 0.000 0.000 0.225 1174 S C 2.202 176.782 174.600 -0.034 0.000 1.030 1174 S CA 2.878 61.118 58.200 0.067 0.000 0.999 1174 S CB -0.732 62.546 63.200 0.130 0.000 0.844 1174 S HN 0.468 nan 8.310 nan 0.000 0.459 1175 E N 0.457 120.652 120.200 -0.008 0.000 2.118 1175 E HA -0.087 4.263 4.350 0.000 0.000 0.195 1175 E C 2.136 178.705 176.600 -0.052 0.000 0.992 1175 E CA 1.626 58.015 56.400 -0.019 0.000 0.804 1175 E CB -1.349 28.355 29.700 0.006 0.000 0.741 1175 E HN 0.543 nan 8.360 nan 0.000 0.458 1176 V N 0.950 120.804 119.914 -0.099 0.000 2.343 1176 V HA -0.223 3.897 4.120 0.000 0.000 0.247 1176 V C 2.650 178.640 176.094 -0.173 0.000 1.051 1176 V CA 1.784 64.015 62.300 -0.115 0.000 1.036 1176 V CB -0.504 31.200 31.823 -0.198 0.000 0.654 1176 V HN 0.603 nan 8.190 nan 0.000 0.451 1177 I N -0.172 120.235 120.570 -0.271 0.000 2.163 1177 I HA -0.315 3.856 4.170 0.000 0.000 0.243 1177 I C 2.731 178.792 176.117 -0.093 0.000 1.085 1177 I CA 1.673 62.847 61.300 -0.210 0.000 1.347 1177 I CB -0.554 37.335 38.000 -0.185 0.000 1.044 1177 I HN 0.394 nan 8.210 nan 0.000 0.408 1178 Q N 1.008 120.756 119.800 -0.087 0.000 2.020 1178 Q HA -0.240 4.100 4.340 0.000 0.000 0.202 1178 Q C 2.264 178.189 176.000 -0.125 0.000 0.982 1178 Q CA 1.547 57.298 55.803 -0.087 0.000 0.838 1178 Q CB -0.248 28.453 28.738 -0.061 0.000 0.899 1178 Q HN 0.488 nan 8.270 nan 0.000 0.423 1179 K N 0.045 120.384 120.400 -0.101 0.000 2.097 1179 K HA -0.205 4.116 4.320 0.000 0.000 0.206 1179 K C 2.020 178.405 176.600 -0.357 0.000 1.049 1179 K CA 1.460 57.689 56.287 -0.097 0.000 0.933 1179 K CB -0.273 32.274 32.500 0.078 0.000 0.717 1179 K HN 0.211 nan 8.250 nan 0.000 0.442 1180 Y N 1.491 121.364 120.300 -0.712 0.000 2.145 1180 Y HA -0.176 4.375 4.550 0.002 0.000 0.286 1180 Y C 1.644 177.205 175.900 -0.566 0.000 1.145 1180 Y CA 1.360 58.761 58.100 -1.165 0.000 1.148 1180 Y CB -0.198 37.739 38.460 -0.871 0.000 0.981 1180 Y HN -0.079 nan 8.280 nan 0.000 0.507 1181 L N -1.031 119.876 121.223 -0.526 0.000 2.044 1181 L HA -0.160 4.180 4.340 0.000 0.000 0.205 1181 L C 2.863 179.512 176.870 -0.370 0.000 1.075 1181 L CA 1.765 56.321 54.840 -0.472 0.000 0.747 1181 L CB -1.258 40.673 42.059 -0.213 0.000 0.903 1181 L HN 0.423 nan 8.230 nan 0.000 0.435 1182 Y N -0.465 119.668 120.300 -0.278 0.000 2.462 1182 Y HA 0.227 4.777 4.550 0.000 0.000 0.261 1182 Y C 2.416 178.221 175.900 -0.158 0.000 1.146 1182 Y CA 0.826 58.805 58.100 -0.202 0.000 1.283 1182 Y CB -1.121 37.241 38.460 -0.164 0.000 1.090 1182 Y HN 0.333 nan 8.280 nan 0.000 0.526 1183 E N 0.848 120.943 120.200 -0.176 0.000 2.085 1183 E HA 0.244 4.594 4.350 0.000 0.000 0.194 1183 E C 1.995 178.558 176.600 -0.061 0.000 0.994 1183 E CA 1.554 57.907 56.400 -0.079 0.000 0.801 1183 E CB -1.144 28.551 29.700 -0.009 0.000 0.743 1183 E HN 2.317 nan 8.360 nan 0.000 0.453 1192 Q N -0.206 119.577 119.800 -0.028 0.000 2.515 1192 Q HA 0.446 4.786 4.340 0.000 0.000 0.214 1192 Q C 2.199 178.167 176.000 -0.053 0.000 0.971 1192 Q CA 2.341 58.121 55.803 -0.038 0.000 0.952 1192 Q CB -1.617 27.092 28.738 -0.048 0.000 0.999 1192 Q HN 1.293 nan 8.270 nan 0.000 0.524 1193 K N 0.194 120.570 120.400 -0.040 0.000 2.000 1193 K HA -0.185 4.136 4.320 0.000 0.000 0.218 1193 K C 2.271 178.882 176.600 0.018 0.000 1.053 1193 K CA 2.517 58.793 56.287 -0.019 0.000 0.946 1193 K CB -1.598 30.908 32.500 0.009 0.000 0.723 1193 K HN 0.936 nan 8.250 nan 0.000 0.446 1194 E N 0.732 120.899 120.200 -0.055 0.000 2.208 1194 E HA 0.127 4.477 4.350 0.000 0.000 0.193 1194 E C 2.160 178.697 176.600 -0.104 0.000 0.988 1194 E CA 0.995 57.264 56.400 -0.218 0.000 0.828 1194 E CB -0.534 29.008 29.700 -0.263 0.000 0.763 1194 E HN 0.527 nan 8.360 nan 0.000 0.478 1195 L N -0.172 121.034 121.223 -0.029 0.000 1.990 1195 L HA -0.211 4.129 4.340 0.000 0.000 0.213 1195 L C 3.134 179.989 176.870 -0.025 0.000 1.072 1195 L CA 1.561 56.402 54.840 0.001 0.000 0.755 1195 L CB -0.423 41.623 42.059 -0.023 0.000 0.889 1195 L HN 0.476 nan 8.230 nan 0.000 0.432 1196 A N -0.728 122.022 122.820 -0.118 0.000 1.908 1196 A HA -0.274 4.046 4.320 0.000 0.000 0.218 1196 A C 1.900 179.357 177.584 -0.211 0.000 1.181 1196 A CA 1.945 53.871 52.037 -0.186 0.000 0.627 1196 A CB -0.946 17.875 19.000 -0.299 0.000 0.818 1196 A HN 0.510 nan 8.150 nan 0.000 0.445 1197 H N -1.903 116.982 119.070 -0.310 0.000 2.319 1197 H HA -0.134 4.423 4.556 0.001 0.000 0.297 1197 H C 1.830 177.086 175.328 -0.119 0.000 1.097 1197 H CA 2.163 57.948 56.048 -0.438 0.000 1.285 1197 H CB -0.386 28.583 29.762 -1.321 0.000 1.368 1197 H HN 0.582 nan 8.280 nan 0.000 0.495 1198 F N 0.461 120.389 119.950 -0.037 0.000 2.075 1198 F HA -0.192 4.335 4.527 0.000 0.000 0.297 1198 F C 2.086 177.883 175.800 -0.005 0.000 1.113 1198 F CA 0.727 58.840 58.000 0.189 0.000 1.218 1198 F CB -0.082 39.040 39.000 0.204 0.000 0.984 1198 F HN 0.023 nan 8.300 nan 0.000 0.472 1199 L N -0.194 121.126 121.223 0.163 0.000 2.012 1199 L HA -0.272 4.069 4.340 0.000 0.000 0.210 1199 L C 2.397 179.226 176.870 -0.068 0.000 1.073 1199 L CA 0.858 55.641 54.840 -0.095 0.000 0.748 1199 L CB -0.761 41.312 42.059 0.022 0.000 0.891 1199 L HN 0.280 nan 8.230 nan 0.000 0.431 1200 L N 0.001 121.273 121.223 0.082 0.000 2.012 1200 L HA -0.245 4.095 4.340 0.000 0.000 0.210 1200 L C 2.349 179.281 176.870 0.104 0.000 1.073 1200 L CA 1.746 56.658 54.840 0.120 0.000 0.748 1200 L CB -0.575 41.505 42.059 0.037 0.000 0.891 1200 L HN 0.146 nan 8.230 nan 0.000 0.431 1201 L N -0.952 120.329 121.223 0.097 0.000 2.017 1201 L HA -0.191 4.149 4.340 0.000 0.000 0.208 1201 L C 2.431 179.280 176.870 -0.035 0.000 1.073 1201 L CA 1.704 56.572 54.840 0.047 0.000 0.745 1201 L CB -0.309 41.811 42.059 0.102 0.000 0.894 1201 L HN 0.301 nan 8.230 nan 0.000 0.432 1202 I N -0.868 119.673 120.570 -0.048 0.000 2.194 1202 I HA -0.333 3.837 4.170 0.000 0.000 0.246 1202 I C 2.135 178.281 176.117 0.047 0.000 1.093 1202 I CA 1.432 62.678 61.300 -0.091 0.000 1.355 1202 I CB -0.437 37.410 38.000 -0.254 0.000 1.046 1202 I HN 0.213 nan 8.210 nan 0.000 0.413 1203 F N 0.605 120.660 119.950 0.174 0.000 2.325 1203 F HA -0.122 4.405 4.527 0.001 0.000 0.299 1203 F C 2.653 178.576 175.800 0.205 0.000 1.090 1203 F CA 0.769 58.893 58.000 0.207 0.000 1.392 1203 F CB -0.826 38.272 39.000 0.163 0.000 1.053 1203 F HN 0.081 nan 8.300 nan 0.000 0.521 1204 Q N 0.176 120.136 119.800 0.267 0.000 2.079 1204 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 1204 Q C 2.677 178.717 176.000 0.067 0.000 0.974 1204 Q CA 1.150 57.051 55.803 0.164 0.000 0.840 1204 Q CB -1.001 27.779 28.738 0.071 0.000 0.898 1204 Q HN 0.283 nan 8.270 nan 0.000 0.430 1205 V N 0.383 120.259 119.914 -0.064 0.000 2.287 1205 V HA -0.212 3.909 4.120 0.000 0.000 0.248 1205 V C 1.567 177.483 176.094 -0.296 0.000 1.053 1205 V CA 1.514 63.641 62.300 -0.289 0.000 1.027 1205 V CB -0.577 30.834 31.823 -0.687 0.000 0.646 1205 V HN 0.198 nan 8.190 nan 0.000 0.447 1206 F N -0.971 118.975 119.950 -0.007 0.000 2.695 1206 F HA 0.204 4.731 4.527 0.001 0.000 0.301 1206 F C 1.369 177.170 175.800 0.003 0.000 1.182 1206 F CA 0.320 58.320 58.000 -0.001 0.000 1.412 1206 F CB -0.023 38.988 39.000 0.017 0.000 1.056 1206 F HN -0.085 nan 8.300 nan 0.000 0.522 1207 V N -1.231 118.750 119.914 0.112 0.000 3.497 1207 V HA 0.364 4.485 4.120 0.000 0.000 0.272 1207 V C 1.514 177.605 176.094 -0.005 0.000 1.474 1207 V CA 0.681 62.996 62.300 0.025 0.000 1.025 1207 V CB 0.616 32.481 31.823 0.070 0.000 0.820 1207 V HN 0.389 nan 8.190 nan 0.000 0.437 1208 G N 1.286 110.088 108.800 0.004 0.000 2.154 1208 G HA2 -0.192 3.768 3.960 0.000 0.000 0.186 1208 G HA3 -0.192 3.768 3.960 0.000 0.000 0.186 1208 G C 0.222 175.131 174.900 0.014 0.000 1.000 1208 G CA 0.208 45.307 45.100 -0.003 0.000 0.664 1208 G HN 0.371 nan 8.290 nan 0.000 0.513 1209 N N 1.090 119.808 118.700 0.030 0.000 2.320 1209 N HA 0.169 4.909 4.740 0.000 0.000 0.237 1209 N C 2.053 177.568 175.510 0.009 0.000 1.129 1209 N CA 0.777 53.848 53.050 0.035 0.000 0.854 1209 N CB 0.546 39.076 38.487 0.072 0.000 1.083 1209 N HN 0.589 nan 8.380 nan 0.000 0.504 1210 S N -0.009 115.694 115.700 0.006 0.000 2.383 1210 S HA -0.208 4.262 4.470 0.000 0.000 0.229 1210 S C 2.277 176.875 174.600 -0.004 0.000 1.030 1210 S CA 1.563 59.775 58.200 0.021 0.000 1.002 1210 S CB -0.347 62.916 63.200 0.105 0.000 0.829 1210 S HN 0.412 nan 8.310 nan 0.000 0.467 1211 K N 2.179 122.586 120.400 0.011 0.000 1.991 1211 K HA 0.051 4.371 4.320 0.000 0.000 0.212 1211 K C 2.209 178.799 176.600 -0.017 0.000 1.049 1211 K CA 1.831 58.125 56.287 0.012 0.000 0.932 1211 K CB -1.324 31.193 32.500 0.029 0.000 0.717 1211 K HN 0.633 nan 8.250 nan 0.000 0.441 1212 M N 0.138 119.728 119.600 -0.016 0.000 2.065 1212 M HA -0.128 4.352 4.480 0.000 0.000 0.259 1212 M C 2.558 178.799 176.300 -0.098 0.000 1.069 1212 M CA 2.364 57.647 55.300 -0.028 0.000 1.110 1212 M CB -0.304 32.296 32.600 -0.001 0.000 1.328 1212 M HN 0.407 nan 8.290 nan 0.000 0.405 1213 A N 0.840 123.585 122.820 -0.126 0.000 1.892 1213 A HA -0.197 4.123 4.320 0.000 0.000 0.218 1213 A C 2.009 179.255 177.584 -0.563 0.000 1.188 1213 A CA 2.234 54.130 52.037 -0.235 0.000 0.631 1213 A CB -1.169 17.732 19.000 -0.165 0.000 0.822 1213 A HN 0.695 nan 8.150 nan 0.000 0.447 1214 I N -0.394 119.839 120.570 -0.563 0.000 2.353 1214 I HA -0.165 4.005 4.170 0.000 0.000 0.248 1214 I C 3.002 178.731 176.117 -0.645 0.000 1.119 1214 I CA 1.295 62.043 61.300 -0.920 0.000 1.417 1214 I CB -0.404 37.334 38.000 -0.437 0.000 1.078 1214 I HN 0.417 nan 8.210 nan 0.000 0.421 1215 K N 1.026 121.305 120.400 -0.202 0.000 2.281 1215 K HA -0.188 4.132 4.320 0.000 0.000 0.203 1215 K C 2.138 178.777 176.600 0.066 0.000 1.046 1215 K CA 1.786 58.139 56.287 0.111 0.000 0.938 1215 K CB -1.321 31.250 32.500 0.117 0.000 0.737 1215 K HN 0.607 nan 8.250 nan 0.000 0.458 1216 S N -0.231 115.383 115.700 -0.145 0.000 2.383 1216 S HA -0.092 4.378 4.470 0.000 0.000 0.227 1216 S C 2.027 176.686 174.600 0.099 0.000 1.026 1216 S CA 1.111 59.291 58.200 -0.034 0.000 0.981 1216 S CB -0.755 62.401 63.200 -0.073 0.000 0.818 1216 S HN 0.611 nan 8.310 nan 0.000 0.472 1217 F N 0.840 120.720 119.950 -0.117 0.000 2.065 1217 F HA -0.185 4.342 4.527 0.000 0.000 0.298 1217 F C 2.494 178.298 175.800 0.006 0.000 1.112 1217 F CA 1.464 59.359 58.000 -0.175 0.000 1.212 1217 F CB -0.788 37.826 39.000 -0.643 0.000 0.975 1217 F HN 0.186 nan 8.300 nan 0.000 0.476 1218 Y N 0.590 121.095 120.300 0.342 0.000 2.181 1218 Y HA -0.313 4.237 4.550 0.000 0.000 0.284 1218 Y C 2.793 178.809 175.900 0.193 0.000 1.179 1218 Y CA 1.652 59.923 58.100 0.285 0.000 1.179 1218 Y CB -0.978 37.606 38.460 0.208 0.000 0.973 1218 Y HN 0.161 nan 8.280 nan 0.000 0.519 1219 T N -3.068 111.666 114.554 0.300 0.000 3.035 1219 T HA -0.015 4.336 4.350 0.000 0.000 0.259 1219 T C 0.691 175.489 174.700 0.164 0.000 1.078 1219 T CA 0.313 62.531 62.100 0.198 0.000 1.132 1219 T CB -0.118 68.839 68.868 0.150 0.000 0.900 1219 T HN 0.013 nan 8.240 nan 0.000 0.480 1220 N N 1.829 120.639 118.700 0.182 0.000 2.501 1220 N HA 0.261 5.002 4.740 0.000 0.000 0.245 1220 N C 0.331 175.926 175.510 0.142 0.000 0.974 1220 N CA -0.324 52.815 53.050 0.149 0.000 0.941 1220 N CB 1.159 39.738 38.487 0.153 0.000 1.122 1220 N HN 0.163 nan 8.380 nan 0.000 0.507 1221 N N 3.108 121.876 118.700 0.113 0.000 2.289 1221 N HA -0.178 4.563 4.740 0.000 0.000 0.184 1221 N C 1.389 176.941 175.510 0.069 0.000 1.016 1221 N CA 2.048 55.156 53.050 0.096 0.000 0.872 1221 N CB 0.295 38.827 38.487 0.076 0.000 0.973 1221 N HN 0.681 nan 8.380 nan 0.000 0.433 1222 E N -0.619 119.614 120.200 0.056 0.000 2.107 1222 E HA -0.095 4.256 4.350 0.000 0.000 0.191 1222 E C 1.999 178.588 176.600 -0.018 0.000 0.982 1222 E CA 1.627 58.039 56.400 0.022 0.000 0.809 1222 E CB -1.558 28.153 29.700 0.019 0.000 0.756 1222 E HN 0.669 nan 8.360 nan 0.000 0.459 1223 T N -1.580 112.971 114.554 -0.005 0.000 3.054 1223 T HA -0.063 4.287 4.350 0.000 0.000 0.259 1223 T C 2.300 176.939 174.700 -0.101 0.000 1.092 1223 T CA 1.503 63.553 62.100 -0.084 0.000 1.121 1223 T CB -0.099 68.828 68.868 0.097 0.000 0.912 1223 T HN 0.490 nan 8.240 nan 0.000 0.489 1224 S N 0.895 116.586 115.700 -0.015 0.000 2.395 1224 S HA 0.008 4.479 4.470 0.000 0.000 0.225 1224 S C 2.569 177.219 174.600 0.083 0.000 1.027 1224 S CA 1.019 59.236 58.200 0.028 0.000 0.965 1224 S CB -1.088 62.277 63.200 0.275 0.000 0.812 1224 S HN 0.771 nan 8.310 nan 0.000 0.482 1225 Q N 0.834 120.669 119.800 0.059 0.000 2.119 1225 Q HA -0.019 4.321 4.340 0.000 0.000 0.201 1225 Q C 1.781 177.794 176.000 0.022 0.000 0.972 1225 Q CA 1.651 57.479 55.803 0.042 0.000 0.847 1225 Q CB -1.794 26.967 28.738 0.038 0.000 0.903 1225 Q HN 0.950 nan 8.270 nan 0.000 0.433 1226 W N 0.751 121.932 121.300 -0.198 0.000 2.355 1226 W HA 0.007 4.667 4.660 0.000 0.000 0.309 1226 W C 2.456 178.824 176.519 -0.252 0.000 1.206 1226 W CA 2.304 59.501 57.345 -0.246 0.000 1.284 1226 W CB -0.205 29.026 29.460 -0.382 0.000 1.145 1226 W HN 0.404 nan 8.180 nan 0.000 0.502 1227 A N 0.442 122.934 122.820 -0.547 0.000 1.902 1227 A HA -0.221 4.099 4.320 0.000 0.000 0.217 1227 A C 2.138 179.580 177.584 -0.237 0.000 1.181 1227 A CA 2.839 54.356 52.037 -0.867 0.000 0.623 1227 A CB -1.503 16.701 19.000 -1.326 0.000 0.818 1227 A HN 0.443 nan 8.150 nan 0.000 0.443 1228 S N -0.920 114.793 115.700 0.023 0.000 2.428 1228 S HA 0.073 4.543 4.470 0.000 0.000 0.230 1228 S C 1.794 176.442 174.600 0.080 0.000 1.014 1228 S CA 1.392 59.668 58.200 0.126 0.000 0.957 1228 S CB -0.471 62.760 63.200 0.052 0.000 0.784 1228 S HN 0.770 nan 8.310 nan 0.000 0.499 1229 E N 2.207 122.377 120.200 -0.051 0.000 2.216 1229 E HA 0.086 4.436 4.350 0.000 0.000 0.192 1229 E C 1.423 177.938 176.600 -0.141 0.000 0.988 1229 E CA 0.906 57.272 56.400 -0.055 0.000 0.834 1229 E CB -0.667 28.994 29.700 -0.065 0.000 0.772 1229 E HN 0.749 nan 8.360 nan 0.000 0.479 1230 N N -0.164 118.338 118.700 -0.330 0.000 2.282 1230 N HA 0.036 4.777 4.740 0.000 0.000 0.240 1230 N C 1.328 176.584 175.510 -0.423 0.000 1.182 1230 N CA 0.170 52.948 53.050 -0.452 0.000 0.874 1230 N CB 0.136 38.220 38.487 -0.673 0.000 1.126 1230 N HN 0.769 nan 8.380 nan 0.000 0.516 1231 W N 1.715 122.861 121.300 -0.257 0.000 2.350 1231 W HA -0.067 4.593 4.660 0.000 0.000 0.289 1231 W C 1.052 177.535 176.519 -0.059 0.000 1.215 1231 W CA 0.402 57.698 57.345 -0.082 0.000 1.236 1231 W CB -0.579 28.775 29.460 -0.175 0.000 1.130 1231 W HN -0.048 nan 8.180 nan 0.000 0.541 1232 K N 1.253 120.996 120.400 -1.096 0.000 2.026 1232 K HA -0.169 4.152 4.320 0.000 0.000 0.208 1232 K C 2.568 178.928 176.600 -0.401 0.000 1.048 1232 K CA 2.736 58.423 56.287 -1.001 0.000 0.929 1232 K CB -0.405 31.494 32.500 -1.001 0.000 0.713 1232 K HN 0.187 nan 8.250 nan 0.000 0.439 1233 S N 0.745 116.177 115.700 -0.446 0.000 2.428 1233 S HA -0.052 4.419 4.470 0.000 0.000 0.230 1233 S C 2.007 176.498 174.600 -0.182 0.000 1.014 1233 S CA 0.608 58.483 58.200 -0.543 0.000 0.957 1233 S CB -0.448 62.166 63.200 -0.977 0.000 0.784 1233 S HN 0.171 nan 8.310 nan 0.000 0.499 1234 I N 1.512 121.927 120.570 -0.258 0.000 2.133 1234 I HA -0.131 4.039 4.170 0.000 0.000 0.238 1234 I C 2.455 178.635 176.117 0.104 0.000 1.074 1234 I CA 1.149 62.307 61.300 -0.235 0.000 1.342 1234 I CB -0.639 37.155 38.000 -0.343 0.000 1.053 1234 I HN 0.192 nan 8.210 nan 0.000 0.404 1235 V N 1.287 121.362 119.914 0.269 0.000 2.332 1235 V HA -0.315 3.805 4.120 0.000 0.000 0.248 1235 V C 2.738 178.968 176.094 0.227 0.000 1.055 1235 V CA 2.017 64.552 62.300 0.393 0.000 1.038 1235 V CB -1.137 30.952 31.823 0.442 0.000 0.651 1235 V HN 0.515 nan 8.190 nan 0.000 0.450 1236 A N -0.020 122.889 122.820 0.148 0.000 1.933 1236 A HA -0.123 4.197 4.320 0.000 0.000 0.218 1236 A C 2.435 180.107 177.584 0.146 0.000 1.175 1236 A CA 2.106 54.232 52.037 0.148 0.000 0.628 1236 A CB -0.732 18.353 19.000 0.141 0.000 0.814 1236 A HN 0.582 nan 8.150 nan 0.000 0.444 1237 A N -0.581 122.330 122.820 0.152 0.000 1.902 1237 A HA 0.001 4.322 4.320 0.000 0.000 0.217 1237 A C 2.243 179.898 177.584 0.118 0.000 1.181 1237 A CA 1.790 53.911 52.037 0.139 0.000 0.623 1237 A CB -0.945 18.211 19.000 0.260 0.000 0.818 1237 A HN 0.380 nan 8.150 nan 0.000 0.443 1238 V N 0.272 120.236 119.914 0.084 0.000 2.295 1238 V HA -0.265 3.855 4.120 0.000 0.000 0.246 1238 V C 2.590 178.747 176.094 0.105 0.000 1.049 1238 V CA 2.015 64.332 62.300 0.027 0.000 1.024 1238 V CB -0.805 30.822 31.823 -0.326 0.000 0.648 1238 V HN 0.572 nan 8.190 nan 0.000 0.447 1239 L N -0.697 120.577 121.223 0.086 0.000 2.046 1239 L HA -0.180 4.161 4.340 0.000 0.000 0.208 1239 L C 2.355 179.297 176.870 0.119 0.000 1.077 1239 L CA 1.736 56.617 54.840 0.067 0.000 0.747 1239 L CB -0.450 41.731 42.059 0.204 0.000 0.896 1239 L HN 0.288 nan 8.230 nan 0.000 0.432 1240 I N 0.020 120.674 120.570 0.140 0.000 3.001 1240 I HA -0.175 3.995 4.170 0.000 0.000 0.268 1240 I C 1.320 177.480 176.117 0.073 0.000 1.267 1240 I CA 0.736 62.112 61.300 0.126 0.000 1.472 1240 I CB -0.062 38.004 38.000 0.109 0.000 1.089 1240 I HN 0.335 nan 8.210 nan 0.000 0.468 1241 N N 0.673 119.410 118.700 0.061 0.000 2.230 1241 N HA 0.242 4.982 4.740 0.000 0.000 0.202 1241 N C 0.124 175.583 175.510 -0.086 0.000 1.119 1241 N CA 0.078 53.093 53.050 -0.058 0.000 0.851 1241 N CB 0.495 38.883 38.487 -0.164 0.000 0.990 1241 N HN 0.263 nan 8.380 nan 0.000 0.497 1242 I N 2.623 123.216 120.570 0.039 0.000 2.533 1242 I HA 0.100 4.270 4.170 0.000 0.000 0.284 1242 I C -1.861 174.268 176.117 0.020 0.000 1.109 1242 I CA -1.430 59.883 61.300 0.023 0.000 1.412 1242 I CB 0.397 38.267 38.000 -0.216 0.000 1.396 1242 I HN -0.280 nan 8.210 nan 0.000 0.543 1243 P HA 0.104 nan 4.420 nan 0.000 0.262 1243 P C -0.037 177.310 177.300 0.078 0.000 1.199 1243 P CA 0.089 63.203 63.100 0.022 0.000 0.763 1243 P CB 0.268 31.975 31.700 0.012 0.000 0.790 1244 E N 1.491 121.742 120.200 0.084 0.000 2.452 1244 E HA 0.349 4.700 4.350 0.000 0.000 0.261 1244 E C 0.460 177.120 176.600 0.100 0.000 0.987 1244 E CA 0.396 56.864 56.400 0.115 0.000 0.926 1244 E CB -0.781 28.970 29.700 0.085 0.000 0.934 1244 E HN 0.685 nan 8.360 nan 0.000 0.452 1245 N N 0.616 119.388 118.700 0.121 0.000 2.549 1245 N HA 0.530 5.270 4.740 0.000 0.000 0.281 1245 N C 0.857 176.413 175.510 0.076 0.000 1.084 1245 N CA 0.391 53.498 53.050 0.094 0.000 0.862 1245 N CB 0.403 38.956 38.487 0.111 0.000 1.333 1245 N HN 0.942 nan 8.380 nan 0.000 0.523 1246 N N -0.214 118.517 118.700 0.052 0.000 2.149 1246 N HA -0.084 4.656 4.740 0.000 0.000 0.188 1246 N C 1.771 177.298 175.510 0.029 0.000 1.019 1246 N CA 2.501 55.572 53.050 0.036 0.000 0.857 1246 N CB -0.527 37.975 38.487 0.026 0.000 0.997 1246 N HN 1.033 nan 8.380 nan 0.000 0.426 1247 E N -1.112 119.108 120.200 0.033 0.000 2.442 1247 E HA 0.327 4.678 4.350 0.000 0.000 0.195 1247 E C 0.929 177.549 176.600 0.033 0.000 1.030 1247 E CA 0.858 57.273 56.400 0.026 0.000 0.869 1247 E CB -0.852 28.862 29.700 0.024 0.000 0.857 1247 E HN 0.951 nan 8.360 nan 0.000 0.505 1248 D N 0.809 121.241 120.400 0.053 0.000 2.613 1248 D HA 0.440 5.080 4.640 0.000 0.000 0.312 1248 D C -1.997 174.364 176.300 0.102 0.000 1.202 1248 D CA -0.410 53.634 54.000 0.074 0.000 0.825 1248 D CB 0.605 41.461 40.800 0.093 0.000 1.113 1248 D HN 0.091 nan 8.370 nan 0.000 0.502 1249 P HA 0.095 nan 4.420 nan 0.000 0.225 1249 P C 1.011 178.255 177.300 -0.094 0.000 1.156 1249 P CA 0.411 63.507 63.100 -0.008 0.000 0.787 1249 P CB 0.352 32.016 31.700 -0.060 0.000 0.802 1250 L N -1.549 119.655 121.223 -0.032 0.000 3.066 1250 L HA 0.263 4.604 4.340 0.000 0.000 0.265 1250 L C 0.181 177.138 176.870 0.145 0.000 1.232 1250 L CA -0.469 54.337 54.840 -0.058 0.000 1.031 1250 L CB 0.273 42.276 42.059 -0.093 0.000 1.379 1250 L HN -0.076 nan 8.230 nan 0.000 0.563 1251 L N 2.066 123.439 121.223 0.250 0.000 2.270 1251 L HA 0.449 4.790 4.340 0.000 0.000 0.286 1251 L C 0.056 177.148 176.870 0.369 0.000 1.059 1251 L CA -0.214 54.777 54.840 0.252 0.000 0.839 1251 L CB 0.436 42.591 42.059 0.160 0.000 1.221 1251 L HN 0.015 nan 8.230 nan 0.000 0.431 1252 I N 6.568 127.356 120.570 0.363 0.000 2.533 1252 I HA 0.228 4.399 4.170 0.000 0.000 0.284 1252 I C -1.828 174.331 176.117 0.070 0.000 1.109 1252 I CA -1.680 59.737 61.300 0.196 0.000 1.412 1252 I CB 0.125 38.241 38.000 0.192 0.000 1.396 1252 I HN 0.481 nan 8.210 nan 0.000 0.543 1253 P HA 0.178 nan 4.420 nan 0.000 0.276 1253 P C -2.074 175.221 177.300 -0.008 0.000 1.235 1253 P CA -1.360 61.742 63.100 0.002 0.000 0.772 1253 P CB 0.284 31.980 31.700 -0.006 0.000 0.871 1254 P HA -0.243 nan 4.420 nan 0.000 0.218 1254 P C 1.443 178.742 177.300 -0.002 0.000 1.154 1254 P CA 1.500 64.610 63.100 0.017 0.000 0.872 1254 P CB -0.382 31.330 31.700 0.021 0.000 0.790 1255 V N -3.488 116.408 119.914 -0.029 0.000 2.490 1255 V HA -0.172 3.948 4.120 0.000 0.000 0.250 1255 V C 2.067 178.098 176.094 -0.104 0.000 1.061 1255 V CA 1.894 64.155 62.300 -0.065 0.000 1.064 1255 V CB -1.740 30.025 31.823 -0.097 0.000 0.670 1255 V HN -0.036 nan 8.190 nan 0.000 0.461 1256 V N -0.172 119.659 119.914 -0.139 0.000 2.591 1256 V HA -0.076 4.044 4.120 0.000 0.000 0.249 1256 V C 2.445 178.560 176.094 0.036 0.000 1.053 1256 V CA 1.752 63.974 62.300 -0.130 0.000 1.068 1256 V CB -0.299 31.380 31.823 -0.240 0.000 0.689 1256 V HN 0.525 nan 8.190 nan 0.000 0.462 1257 L N 0.696 121.933 121.223 0.024 0.000 2.017 1257 L HA -0.147 4.194 4.340 0.000 0.000 0.208 1257 L C 2.410 179.327 176.870 0.079 0.000 1.073 1257 L CA 1.928 56.809 54.840 0.068 0.000 0.745 1257 L CB -0.777 41.323 42.059 0.068 0.000 0.894 1257 L HN 0.384 nan 8.230 nan 0.000 0.432 1258 E N -1.107 119.133 120.200 0.066 0.000 2.070 1258 E HA -0.313 4.037 4.350 0.000 0.000 0.197 1258 E C 2.103 178.758 176.600 0.091 0.000 1.004 1258 E CA 1.746 58.188 56.400 0.070 0.000 0.805 1258 E CB -0.524 29.208 29.700 0.053 0.000 0.744 1258 E HN 0.541 nan 8.360 nan 0.000 0.451 1259 F N 1.661 121.591 119.950 -0.034 0.000 2.126 1259 F HA -0.192 4.335 4.527 0.001 0.000 0.299 1259 F C 1.875 177.718 175.800 0.072 0.000 1.096 1259 F CA 1.327 59.309 58.000 -0.031 0.000 1.255 1259 F CB -0.163 38.764 39.000 -0.121 0.000 0.997 1259 F HN -0.089 nan 8.300 nan 0.000 0.479 1260 L N -0.115 121.018 121.223 -0.150 0.000 2.056 1260 L HA -0.206 4.135 4.340 0.000 0.000 0.207 1260 L C 2.513 179.319 176.870 -0.106 0.000 1.078 1260 L CA 1.434 56.150 54.840 -0.206 0.000 0.749 1260 L CB -0.629 41.445 42.059 0.025 0.000 0.901 1260 L HN 0.200 nan 8.230 nan 0.000 0.433 1261 I N -0.854 119.745 120.570 0.047 0.000 2.193 1261 I HA -0.207 3.963 4.170 0.000 0.000 0.240 1261 I C 2.597 178.798 176.117 0.140 0.000 1.084 1261 I CA 0.876 62.288 61.300 0.187 0.000 1.365 1261 I CB -0.387 37.694 38.000 0.136 0.000 1.064 1261 I HN 0.214 nan 8.210 nan 0.000 0.410 1262 E N 0.706 120.949 120.200 0.072 0.000 2.097 1262 E HA -0.267 4.083 4.350 0.000 0.000 0.196 1262 E C 2.085 178.768 176.600 0.138 0.000 1.000 1262 E CA 1.665 58.123 56.400 0.098 0.000 0.804 1262 E CB -0.419 29.318 29.700 0.062 0.000 0.740 1262 E HN 0.548 nan 8.360 nan 0.000 0.454 1263 F N 0.390 120.199 119.950 -0.234 0.000 2.293 1263 F HA -0.007 4.520 4.527 0.001 0.000 0.297 1263 F C 2.141 177.816 175.800 -0.208 0.000 1.089 1263 F CA 0.674 58.518 58.000 -0.260 0.000 1.377 1263 F CB 0.164 38.772 39.000 -0.652 0.000 1.051 1263 F HN 0.049 nan 8.300 nan 0.000 0.511 1264 G N 0.587 109.198 108.800 -0.314 0.000 2.471 1264 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 1264 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 1264 G C 1.519 176.218 174.900 -0.336 0.000 1.125 1264 G CA 0.700 45.389 45.100 -0.685 0.000 0.775 1264 G HN 0.416 nan 8.290 nan 0.000 0.548 1265 I N -0.560 120.034 120.570 0.040 0.000 2.235 1265 I HA 0.023 4.194 4.170 0.000 0.000 0.241 1265 I C 2.332 178.538 176.117 0.148 0.000 1.085 1265 I CA 0.492 61.886 61.300 0.157 0.000 1.378 1265 I CB -0.234 37.903 38.000 0.228 0.000 1.076 1265 I HN 0.193 nan 8.210 nan 0.000 0.415 1266 F N 1.959 121.966 119.950 0.096 0.000 2.087 1266 F HA -0.294 4.234 4.527 0.001 0.000 0.299 1266 F C 2.150 177.908 175.800 -0.069 0.000 1.100 1266 F CA 1.862 59.910 58.000 0.080 0.000 1.226 1266 F CB -0.427 38.601 39.000 0.046 0.000 0.983 1266 F HN -0.088 nan 8.300 nan 0.000 0.479 1267 L N -0.437 120.569 121.223 -0.362 0.000 2.083 1267 L HA -0.231 4.109 4.340 0.000 0.000 0.209 1267 L C 2.392 178.975 176.870 -0.480 0.000 1.083 1267 L CA 1.739 56.215 54.840 -0.607 0.000 0.752 1267 L CB -1.225 40.379 42.059 -0.758 0.000 0.899 1267 L HN 0.205 nan 8.230 nan 0.000 0.433 1268 T N -0.498 113.857 114.554 -0.331 0.000 2.652 1268 T HA -0.172 4.178 4.350 0.000 0.000 0.267 1268 T C 1.949 176.542 174.700 -0.179 0.000 1.039 1268 T CA 1.121 63.096 62.100 -0.209 0.000 1.153 1268 T CB -0.083 68.737 68.868 -0.081 0.000 0.863 1268 T HN 0.161 nan 8.240 nan 0.000 0.428 1269 K N 1.623 121.937 120.400 -0.143 0.000 2.044 1269 K HA -0.077 4.243 4.320 0.000 0.000 0.210 1269 K C 2.397 178.883 176.600 -0.190 0.000 1.049 1269 K CA 1.835 58.058 56.287 -0.107 0.000 0.927 1269 K CB -0.809 31.703 32.500 0.019 0.000 0.713 1269 K HN 0.473 nan 8.250 nan 0.000 0.443 1270 K N 0.794 120.975 120.400 -0.365 0.000 2.632 1270 K HA 0.123 4.443 4.320 0.000 0.000 0.196 1270 K C 1.285 177.728 176.600 -0.260 0.000 1.023 1270 K CA 1.058 57.130 56.287 -0.359 0.000 1.098 1270 K CB -1.094 31.050 32.500 -0.594 0.000 0.862 1270 K HN 0.463 nan 8.250 nan 0.000 0.504 1271 G N -0.397 108.272 108.800 -0.218 0.000 2.205 1271 G HA2 -0.220 3.740 3.960 0.000 0.000 0.261 1271 G HA3 -0.220 3.740 3.960 0.000 0.000 0.261 1271 G C 0.386 175.172 174.900 -0.192 0.000 0.980 1271 G CA 0.259 45.258 45.100 -0.168 0.000 0.632 1271 G HN 0.554 nan 8.290 nan 0.000 0.533 1272 L N 2.620 123.680 121.223 -0.272 0.000 2.422 1272 L HA 0.342 4.683 4.340 0.000 0.000 0.256 1272 L C 2.010 178.667 176.870 -0.354 0.000 1.202 1272 L CA 0.313 54.966 54.840 -0.312 0.000 1.119 1272 L CB 0.391 42.203 42.059 -0.412 0.000 1.383 1272 L HN 0.349 nan 8.230 nan 0.000 0.411 1273 T N -3.089 111.319 114.554 -0.243 0.000 3.085 1273 T HA 0.002 4.352 4.350 0.000 0.000 0.263 1273 T C 1.727 176.291 174.700 -0.227 0.000 1.127 1273 T CA 0.715 62.687 62.100 -0.215 0.000 1.103 1273 T CB 0.340 69.144 68.868 -0.107 0.000 0.921 1273 T HN 0.494 nan 8.240 nan 0.000 0.510 1274 A N 1.819 124.502 122.820 -0.227 0.000 1.874 1274 A HA 0.497 4.817 4.320 0.000 0.000 0.214 1274 A C 2.809 180.151 177.584 -0.404 0.000 1.189 1274 A CA 1.355 53.264 52.037 -0.213 0.000 0.615 1274 A CB -1.447 17.490 19.000 -0.104 0.000 0.830 1274 A HN 0.662 nan 8.150 nan 0.000 0.443 1275 A N 0.288 122.731 122.820 -0.628 0.000 1.849 1275 A HA 0.016 4.336 4.320 0.000 0.000 0.217 1275 A C 2.574 179.505 177.584 -1.088 0.000 1.202 1275 A CA 2.900 54.170 52.037 -1.278 0.000 0.629 1275 A CB -1.425 16.444 19.000 -1.885 0.000 0.834 1275 A HN 1.263 nan 8.150 nan 0.000 0.447 1276 A N -0.792 121.463 122.820 -0.940 0.000 1.915 1276 A HA -0.213 4.107 4.320 0.000 0.000 0.220 1276 A C 2.464 179.342 177.584 -1.176 0.000 1.198 1276 A CA 2.637 54.044 52.037 -1.050 0.000 0.647 1276 A CB -1.185 17.346 19.000 -0.781 0.000 0.825 1276 A HN 0.527 nan 8.150 nan 0.000 0.456 1277 S N -0.807 114.479 115.700 -0.690 0.000 2.382 1277 S HA -0.127 4.343 4.470 0.000 0.000 0.228 1277 S C 2.027 176.357 174.600 -0.449 0.000 1.027 1277 S CA 1.675 59.598 58.200 -0.461 0.000 0.991 1277 S CB -0.573 62.565 63.200 -0.105 0.000 0.823 1277 S HN 0.751 nan 8.310 nan 0.000 0.469 1278 T N 3.323 117.617 114.554 -0.433 0.000 2.652 1278 T HA -0.044 4.306 4.350 0.000 0.000 0.267 1278 T C 1.760 176.318 174.700 -0.235 0.000 1.039 1278 T CA 1.181 63.123 62.100 -0.265 0.000 1.153 1278 T CB -0.545 68.257 68.868 -0.110 0.000 0.863 1278 T HN 0.294 nan 8.240 nan 0.000 0.428 1279 L N -0.242 120.737 121.223 -0.407 0.000 2.042 1279 L HA -0.074 4.266 4.340 0.000 0.000 0.210 1279 L C 2.501 179.251 176.870 -0.199 0.000 1.076 1279 L CA 1.410 56.062 54.840 -0.313 0.000 0.749 1279 L CB -0.840 40.915 42.059 -0.506 0.000 0.893 1279 L HN 0.195 nan 8.230 nan 0.000 0.432 1280 F N 0.395 120.111 119.950 -0.390 0.000 2.171 1280 F HA -0.160 4.367 4.527 0.000 0.000 0.300 1280 F C 2.458 178.148 175.800 -0.184 0.000 1.090 1280 F CA 0.722 58.435 58.000 -0.480 0.000 1.293 1280 F CB -0.932 37.264 39.000 -1.339 0.000 1.013 1280 F HN -0.043 nan 8.300 nan 0.000 0.486 1281 I N -0.108 120.452 120.570 -0.016 0.000 2.142 1281 I HA -0.320 3.850 4.170 0.000 0.000 0.240 1281 I C 2.385 178.659 176.117 0.260 0.000 1.078 1281 I CA 1.424 62.772 61.300 0.081 0.000 1.343 1281 I CB -0.534 37.400 38.000 -0.110 0.000 1.046 1281 I HN 0.021 nan 8.210 nan 0.000 0.405 1282 I N 0.683 121.361 120.570 0.181 0.000 2.264 1282 I HA -0.230 3.941 4.170 0.000 0.000 0.248 1282 I C 2.394 178.705 176.117 0.322 0.000 1.111 1282 I CA 1.646 63.104 61.300 0.264 0.000 1.382 1282 I CB -0.816 37.342 38.000 0.263 0.000 1.060 1282 I HN 0.292 nan 8.210 nan 0.000 0.418 1283 G N -0.135 108.826 108.800 0.269 0.000 2.848 1283 G HA2 -0.151 3.810 3.960 0.000 0.000 0.208 1283 G HA3 -0.151 3.810 3.960 0.000 0.000 0.208 1283 G C 0.567 175.643 174.900 0.294 0.000 1.152 1283 G CA 0.050 45.308 45.100 0.263 0.000 0.789 1283 G HN 0.455 nan 8.290 nan 0.000 0.531 1284 N N -1.067 117.862 118.700 0.381 0.000 2.735 1284 N HA -0.153 4.587 4.740 0.000 0.000 0.248 1284 N C 0.126 175.983 175.510 0.578 0.000 1.083 1284 N CA 0.581 53.912 53.050 0.468 0.000 0.703 1284 N CB -1.433 37.148 38.487 0.155 0.000 1.005 1284 N HN 0.158 nan 8.380 nan 0.000 0.550 1285 V N 0.684 120.919 119.914 0.535 0.000 2.572 1285 V HA 0.187 4.307 4.120 0.000 0.000 0.291 1285 V C -1.611 174.838 176.094 0.591 0.000 1.039 1285 V CA -0.859 61.695 62.300 0.423 0.000 1.055 1285 V CB 0.885 32.783 31.823 0.124 0.000 0.969 1285 V HN 0.080 nan 8.190 nan 0.000 0.482 1286 P HA 0.194 nan 4.420 nan 0.000 0.271 1286 P C -0.473 176.759 177.300 -0.113 0.000 1.218 1286 P CA -0.284 62.977 63.100 0.267 0.000 0.780 1286 P CB 0.450 32.402 31.700 0.420 0.000 0.901 1287 L N 2.680 123.345 121.223 -0.931 0.000 2.361 1287 L HA 0.358 4.698 4.340 0.000 0.000 0.278 1287 L C 0.918 177.526 176.870 -0.436 0.000 1.113 1287 L CA 0.637 54.885 54.840 -0.987 0.000 0.849 1287 L CB 0.031 41.232 42.059 -1.430 0.000 1.155 1287 L HN 0.626 nan 8.230 nan 0.000 0.452 1288 S N 1.667 117.229 115.700 -0.229 0.000 2.694 1288 S HA 0.315 4.786 4.470 0.000 0.000 0.273 1288 S C -0.037 174.527 174.600 -0.060 0.000 1.180 1288 S CA -0.927 57.235 58.200 -0.064 0.000 0.864 1288 S CB 1.236 64.454 63.200 0.031 0.000 1.198 1288 S HN 0.501 nan 8.310 nan 0.000 0.499 1289 N N 0.825 119.512 118.700 -0.022 0.000 2.325 1289 N HA 0.193 4.933 4.740 0.000 0.000 0.182 1289 N C 0.541 176.044 175.510 -0.011 0.000 1.088 1289 N CA 0.923 53.961 53.050 -0.020 0.000 0.879 1289 N CB -0.091 38.389 38.487 -0.012 0.000 0.983 1289 N HN 0.916 nan 8.380 nan 0.000 0.471 1290 E N 2.620 122.819 120.200 -0.001 0.000 2.366 1290 E HA 0.291 4.641 4.350 0.000 0.000 0.266 1290 E C -2.524 174.071 176.600 -0.009 0.000 1.051 1290 E CA -1.808 54.594 56.400 0.003 0.000 0.884 1290 E CB -0.383 29.328 29.700 0.017 0.000 1.006 1290 E HN 0.015 nan 8.360 nan 0.000 0.417 1291 P HA 0.012 nan 4.420 nan 0.000 0.267 1291 P C 1.227 178.505 177.300 -0.037 0.000 1.200 1291 P CA 0.386 63.474 63.100 -0.020 0.000 0.772 1291 P CB 1.176 32.871 31.700 -0.008 0.000 0.855 1292 V N -0.568 119.297 119.914 -0.081 0.000 2.548 1292 V HA 0.022 4.142 4.120 0.000 0.000 0.249 1292 V C 0.775 176.840 176.094 -0.048 0.000 1.055 1292 V CA 1.544 63.767 62.300 -0.128 0.000 1.065 1292 V CB -0.717 30.904 31.823 -0.338 0.000 0.681 1292 V HN 0.357 nan 8.190 nan 0.000 0.462 1293 M N -0.796 118.794 119.600 -0.016 0.000 2.591 1293 M HA 0.820 5.301 4.480 0.000 0.000 0.306 1293 M C 0.764 177.071 176.300 0.012 0.000 1.190 1293 M CA -0.043 55.264 55.300 0.012 0.000 0.889 1293 M CB 1.755 34.375 32.600 0.033 0.000 1.728 1293 M HN 0.096 nan 8.290 nan 0.000 0.458 1294 A N 1.119 123.948 122.820 0.016 0.000 1.902 1294 A HA -0.096 4.224 4.320 0.000 0.000 0.217 1294 A C 1.093 178.683 177.584 0.010 0.000 1.181 1294 A CA 1.955 54.000 52.037 0.013 0.000 0.623 1294 A CB -0.834 18.175 19.000 0.016 0.000 0.818 1294 A HN 0.879 nan 8.150 nan 0.000 0.443 1295 D N -0.793 119.615 120.400 0.013 0.000 2.325 1295 D HA 0.133 4.773 4.640 0.000 0.000 0.234 1295 D C 0.292 176.594 176.300 0.003 0.000 1.122 1295 D CA 0.674 54.679 54.000 0.008 0.000 0.850 1295 D CB -0.169 40.638 40.800 0.011 0.000 0.921 1295 D HN 0.192 nan 8.370 nan 0.000 0.513 1296 S N -0.055 115.649 115.700 0.007 0.000 2.595 1296 S HA 0.361 4.831 4.470 0.000 0.000 0.281 1296 S C -0.419 174.182 174.600 0.002 0.000 1.117 1296 S CA -0.575 57.628 58.200 0.006 0.000 0.873 1296 S CB 1.726 64.943 63.200 0.028 0.000 1.108 1296 S HN 0.069 nan 8.310 nan 0.000 0.477 1297 D N 1.217 121.616 120.400 -0.001 0.000 2.369 1297 D HA 0.127 4.767 4.640 0.000 0.000 0.211 1297 D C 0.479 176.780 176.300 0.003 0.000 1.077 1297 D CA -0.026 53.972 54.000 -0.003 0.000 0.842 1297 D CB -0.327 40.468 40.800 -0.008 0.000 0.947 1297 D HN 0.249 nan 8.370 nan 0.000 0.509 1298 V N 1.348 121.271 119.914 0.014 0.000 2.694 1298 V HA 0.036 4.156 4.120 0.000 0.000 0.306 1298 V C 0.625 176.723 176.094 0.007 0.000 1.054 1298 V CA 0.243 62.561 62.300 0.029 0.000 1.161 1298 V CB 0.674 32.541 31.823 0.073 0.000 0.916 1298 V HN 0.150 nan 8.190 nan 0.000 0.490 1299 I N 5.069 125.652 120.570 0.022 0.000 2.509 1299 I HA 0.367 4.537 4.170 0.000 0.000 0.293 1299 I C -0.483 175.680 176.117 0.078 0.000 1.020 1299 I CA -0.362 60.944 61.300 0.012 0.000 1.088 1299 I CB 1.997 39.999 38.000 0.004 0.000 1.267 1299 I HN 0.534 nan 8.210 nan 0.000 0.430 1300 F N 6.206 126.033 119.950 -0.206 0.000 2.384 1300 F HA 0.243 4.770 4.527 0.000 0.000 0.359 1300 F C 1.177 176.888 175.800 -0.149 0.000 1.143 1300 F CA -0.141 57.737 58.000 -0.205 0.000 1.216 1300 F CB 0.454 39.205 39.000 -0.415 0.000 1.512 1300 F HN 0.645 nan 8.300 nan 0.000 0.573 1301 E N 2.222 122.358 120.200 -0.106 0.000 2.166 1301 E HA 0.027 4.378 4.350 0.000 0.000 0.192 1301 E C -0.124 176.291 176.600 -0.308 0.000 0.967 1301 E CA 0.415 56.698 56.400 -0.195 0.000 0.840 1301 E CB 0.507 30.157 29.700 -0.083 0.000 0.795 1301 E HN 0.537 nan 8.360 nan 0.000 0.470 1302 S N -0.786 114.744 115.700 -0.283 0.000 2.552 1302 S HA 0.356 4.826 4.470 0.000 0.000 0.272 1302 S C -0.678 173.862 174.600 -0.101 0.000 1.150 1302 S CA -0.947 57.104 58.200 -0.249 0.000 0.849 1302 S CB 0.642 63.776 63.200 -0.109 0.000 1.113 1302 S HN 0.139 nan 8.310 nan 0.000 0.458 1303 I N 2.940 123.478 120.570 -0.053 0.000 2.347 1303 I HA 0.525 4.695 4.170 0.000 0.000 0.294 1303 I C 1.212 177.451 176.117 0.203 0.000 1.090 1303 I CA 0.780 62.153 61.300 0.122 0.000 1.314 1303 I CB -0.492 37.562 38.000 0.090 0.000 1.423 1303 I HN 1.265 nan 8.210 nan 0.000 0.503 1304 G N 5.736 114.629 108.800 0.155 0.000 2.860 1304 G HA2 -0.272 3.688 3.960 0.000 0.000 0.553 1304 G HA3 -0.272 3.688 3.960 0.000 0.000 0.553 1304 G C -0.102 174.826 174.900 0.047 0.000 1.439 1304 G CA -0.772 44.402 45.100 0.123 0.000 0.879 1304 G HN 0.808 nan 8.290 nan 0.000 0.545 1305 N N 0.248 118.954 118.700 0.009 0.000 2.365 1305 N HA 0.019 4.759 4.740 0.000 0.000 0.265 1305 N C 1.874 177.364 175.510 -0.034 0.000 1.288 1305 N CA 0.763 53.798 53.050 -0.025 0.000 0.869 1305 N CB 0.421 38.883 38.487 -0.043 0.000 1.071 1305 N HN 0.677 nan 8.380 nan 0.000 0.480 1306 M N 4.028 123.601 119.600 -0.045 0.000 2.337 1306 M HA -0.207 4.273 4.480 0.000 0.000 0.261 1306 M C 0.932 177.213 176.300 -0.032 0.000 1.067 1306 M CA 1.500 56.771 55.300 -0.048 0.000 1.074 1306 M CB -0.009 32.545 32.600 -0.077 0.000 1.395 1306 M HN 0.478 nan 8.290 nan 0.000 0.431 1307 N N 0.195 118.860 118.700 -0.059 0.000 2.416 1307 N HA -0.009 4.731 4.740 0.000 0.000 0.177 1307 N C 0.346 175.928 175.510 0.120 0.000 1.036 1307 N CA 1.059 54.103 53.050 -0.010 0.000 0.901 1307 N CB -0.350 38.078 38.487 -0.098 0.000 0.976 1307 N HN 0.507 nan 8.380 nan 0.000 0.444 1308 T N -1.269 113.282 114.554 -0.004 0.000 2.926 1308 T HA 0.066 4.416 4.350 0.000 0.000 0.307 1308 T C 1.372 176.084 174.700 0.021 0.000 1.059 1308 T CA -0.442 61.604 62.100 -0.090 0.000 1.122 1308 T CB 0.333 69.110 68.868 -0.153 0.000 0.972 1308 T HN -0.118 nan 8.240 nan 0.000 0.545 1309 F N 1.334 121.175 119.950 -0.180 0.000 2.126 1309 F HA 0.031 4.559 4.527 0.000 0.000 0.299 1309 F C 2.305 177.856 175.800 -0.415 0.000 1.096 1309 F CA 1.071 58.916 58.000 -0.259 0.000 1.255 1309 F CB -1.555 37.336 39.000 -0.182 0.000 0.997 1309 F HN 0.601 nan 8.300 nan 0.000 0.479 1310 E N 0.026 120.008 120.200 -0.364 0.000 2.070 1310 E HA -0.215 4.136 4.350 0.000 0.000 0.197 1310 E C 2.459 178.413 176.600 -1.078 0.000 1.004 1310 E CA 1.713 57.453 56.400 -1.100 0.000 0.805 1310 E CB -0.892 27.842 29.700 -1.610 0.000 0.744 1310 E HN 0.191 nan 8.360 nan 0.000 0.451 1311 S N -0.336 115.054 115.700 -0.517 0.000 2.370 1311 S HA -0.156 4.314 4.470 0.000 0.000 0.226 1311 S C 1.917 176.436 174.600 -0.136 0.000 1.033 1311 S CA 1.145 59.246 58.200 -0.165 0.000 1.011 1311 S CB -0.325 62.841 63.200 -0.057 0.000 0.852 1311 S HN 0.222 nan 8.310 nan 0.000 0.457 1312 I N 1.162 121.619 120.570 -0.190 0.000 2.127 1312 I HA -0.224 3.946 4.170 0.000 0.000 0.241 1312 I C 2.256 178.189 176.117 -0.306 0.000 1.075 1312 I CA 1.379 62.533 61.300 -0.243 0.000 1.334 1312 I CB -0.428 37.306 38.000 -0.443 0.000 1.040 1312 I HN 0.327 nan 8.210 nan 0.000 0.405 1313 L N -0.988 119.973 121.223 -0.435 0.000 2.044 1313 L HA -0.164 4.176 4.340 0.000 0.000 0.205 1313 L C 2.600 179.435 176.870 -0.058 0.000 1.075 1313 L CA 1.076 55.635 54.840 -0.469 0.000 0.747 1313 L CB -0.778 40.975 42.059 -0.509 0.000 0.903 1313 L HN 0.332 nan 8.230 nan 0.000 0.435 1314 W N 1.190 122.399 121.300 -0.152 0.000 2.317 1314 W HA -0.221 4.440 4.660 0.001 0.000 0.318 1314 W C 2.444 178.976 176.519 0.022 0.000 1.227 1314 W CA 0.938 58.224 57.345 -0.098 0.000 1.269 1314 W CB -1.147 28.180 29.460 -0.221 0.000 1.155 1314 W HN 0.261 nan 8.180 nan 0.000 0.484 1315 D N -0.508 120.024 120.400 0.220 0.000 2.123 1315 D HA -0.200 4.440 4.640 0.000 0.000 0.196 1315 D C 1.925 178.383 176.300 0.262 0.000 0.992 1315 D CA 1.875 55.979 54.000 0.172 0.000 0.833 1315 D CB -0.509 40.328 40.800 0.062 0.000 0.954 1315 D HN 0.355 nan 8.370 nan 0.000 0.455 1316 E N 0.024 120.362 120.200 0.231 0.000 2.107 1316 E HA -0.087 4.263 4.350 0.000 0.000 0.191 1316 E C 2.291 179.120 176.600 0.382 0.000 0.982 1316 E CA 0.358 56.941 56.400 0.305 0.000 0.809 1316 E CB 0.008 29.887 29.700 0.298 0.000 0.756 1316 E HN 0.222 nan 8.360 nan 0.000 0.459 1317 I N 0.307 121.117 120.570 0.401 0.000 2.179 1317 I HA -0.265 3.905 4.170 0.000 0.000 0.242 1317 I C 2.271 178.686 176.117 0.496 0.000 1.088 1317 I CA 1.015 62.592 61.300 0.461 0.000 1.357 1317 I CB -0.364 37.928 38.000 0.486 0.000 1.051 1317 I HN 0.246 nan 8.210 nan 0.000 0.409 1318 Y N 1.686 122.173 120.300 0.312 0.000 2.207 1318 Y HA -0.300 4.250 4.550 0.000 0.000 0.287 1318 Y C 2.530 178.644 175.900 0.356 0.000 1.156 1318 Y CA 1.943 60.220 58.100 0.295 0.000 1.182 1318 Y CB -0.327 38.234 38.460 0.169 0.000 0.979 1318 Y HN 0.229 nan 8.280 nan 0.000 0.521 1319 E N -1.427 119.009 120.200 0.393 0.000 2.047 1319 E HA -0.287 4.063 4.350 0.000 0.000 0.191 1319 E C 2.111 178.876 176.600 0.275 0.000 0.987 1319 E CA 1.202 57.813 56.400 0.352 0.000 0.799 1319 E CB -0.602 29.371 29.700 0.454 0.000 0.752 1319 E HN 0.572 nan 8.360 nan 0.000 0.449 1320 Y N 1.347 121.764 120.300 0.195 0.000 2.165 1320 Y HA -0.230 4.321 4.550 0.001 0.000 0.286 1320 Y C 1.943 177.902 175.900 0.097 0.000 1.155 1320 Y CA 1.809 59.977 58.100 0.114 0.000 1.164 1320 Y CB -0.199 38.335 38.460 0.123 0.000 0.978 1320 Y HN 0.069 nan 8.280 nan 0.000 0.513 1321 I N -1.151 119.532 120.570 0.190 0.000 2.226 1321 I HA -0.350 3.821 4.170 0.000 0.000 0.245 1321 I C 2.034 178.138 176.117 -0.021 0.000 1.100 1321 I CA 1.531 62.908 61.300 0.128 0.000 1.374 1321 I CB -0.566 37.578 38.000 0.240 0.000 1.057 1321 I HN 0.134 nan 8.210 nan 0.000 0.413 1322 F N 0.848 120.547 119.950 -0.418 0.000 2.333 1322 F HA -0.220 4.307 4.527 0.001 0.000 0.300 1322 F C 2.840 178.294 175.800 -0.577 0.000 1.083 1322 F CA 1.199 58.726 58.000 -0.789 0.000 1.395 1322 F CB -0.248 37.668 39.000 -1.805 0.000 1.056 1322 F HN 0.169 nan 8.300 nan 0.000 0.529 1323 S N -0.972 114.651 115.700 -0.128 0.000 2.453 1323 S HA -0.216 4.254 4.470 0.000 0.000 0.231 1323 S C 1.656 176.145 174.600 -0.186 0.000 1.005 1323 S CA 0.731 58.929 58.200 -0.004 0.000 0.949 1323 S CB -0.872 62.236 63.200 -0.152 0.000 0.774 1323 S HN 0.382 nan 8.310 nan 0.000 0.510 1324 Y N 2.200 122.393 120.300 -0.179 0.000 2.439 1324 Y HA 0.180 4.731 4.550 0.000 0.000 0.292 1324 Y C 0.950 176.792 175.900 -0.096 0.000 1.130 1324 Y CA 0.145 58.154 58.100 -0.153 0.000 1.254 1324 Y CB -0.549 37.801 38.460 -0.182 0.000 1.000 1324 Y HN 0.328 nan 8.280 nan 0.000 0.554 1325 D N 1.712 122.123 120.400 0.019 0.000 2.342 1325 D HA 0.006 4.646 4.640 0.000 0.000 0.260 1325 D C -1.589 174.753 176.300 0.070 0.000 1.278 1325 D CA -2.081 51.925 54.000 0.008 0.000 0.910 1325 D CB 0.912 41.668 40.800 -0.072 0.000 1.079 1325 D HN 0.070 nan 8.370 nan 0.000 0.496 1326 P HA -0.221 nan 4.420 nan 0.000 0.218 1326 P C 1.172 178.505 177.300 0.054 0.000 1.148 1326 P CA 1.594 64.724 63.100 0.051 0.000 0.822 1326 P CB 0.074 31.797 31.700 0.038 0.000 0.784 1327 K N -0.261 120.178 120.400 0.065 0.000 2.211 1327 K HA -0.104 4.217 4.320 0.000 0.000 0.203 1327 K C 1.002 177.651 176.600 0.082 0.000 1.050 1327 K CA 0.508 56.830 56.287 0.059 0.000 0.945 1327 K CB -1.642 30.893 32.500 0.058 0.000 0.732 1327 K HN 0.158 nan 8.250 nan 0.000 0.451 1328 F N 1.800 121.727 119.950 -0.039 0.000 2.608 1328 F HA 0.326 4.853 4.527 0.000 0.000 0.380 1328 F C 1.429 177.178 175.800 -0.085 0.000 1.083 1328 F CA 0.713 58.679 58.000 -0.056 0.000 1.266 1328 F CB 0.755 39.725 39.000 -0.050 0.000 1.076 1328 F HN 0.229 nan 8.300 nan 0.000 0.574 1329 K N 3.981 123.881 120.400 -0.832 0.000 2.360 1329 K HA 0.598 4.918 4.320 0.000 0.000 0.196 1329 K C 0.733 176.794 176.600 -0.898 0.000 1.049 1329 K CA 0.473 56.370 56.287 -0.650 0.000 1.049 1329 K CB -0.329 31.955 32.500 -0.360 0.000 0.881 1329 K HN 1.664 nan 8.250 nan 0.000 0.542 1330 G N -0.436 107.273 108.800 -1.818 0.000 2.459 1330 G HA2 0.176 4.136 3.960 0.000 0.000 0.685 1330 G HA3 0.176 4.136 3.960 0.000 0.000 0.685 1330 G C -1.005 173.464 174.900 -0.718 0.000 1.303 1330 G CA -0.757 43.617 45.100 -1.211 0.000 0.907 1330 G HN 0.420 nan 8.290 nan 0.000 0.632 1331 F N 1.761 121.689 119.950 -0.037 0.000 2.375 1331 F HA 0.482 5.009 4.527 0.000 0.000 0.362 1331 F C 1.775 177.560 175.800 -0.025 0.000 1.129 1331 F CA -0.002 57.997 58.000 -0.002 0.000 1.154 1331 F CB 1.374 40.385 39.000 0.018 0.000 1.205 1331 F HN 0.383 nan 8.300 nan 0.000 0.513 1332 S N 1.009 116.773 115.700 0.107 0.000 2.383 1332 S HA -0.228 4.243 4.470 0.000 0.000 0.229 1332 S C 2.286 176.928 174.600 0.070 0.000 1.030 1332 S CA 1.638 59.870 58.200 0.055 0.000 1.002 1332 S CB -0.324 62.888 63.200 0.020 0.000 0.829 1332 S HN 0.764 nan 8.310 nan 0.000 0.467 1333 S N 2.098 117.847 115.700 0.082 0.000 2.465 1333 S HA -0.078 4.392 4.470 0.000 0.000 0.241 1333 S C 1.605 176.219 174.600 0.023 0.000 1.000 1333 S CA 1.112 59.329 58.200 0.029 0.000 0.964 1333 S CB -0.846 62.345 63.200 -0.014 0.000 0.763 1333 S HN 0.790 nan 8.310 nan 0.000 0.512 1334 I N -2.607 118.006 120.570 0.071 0.000 4.018 1334 I HA 0.351 4.521 4.170 0.000 0.000 0.337 1334 I C 1.623 177.804 176.117 0.106 0.000 1.327 1334 I CA -0.227 61.119 61.300 0.075 0.000 1.100 1334 I CB -0.170 37.889 38.000 0.099 0.000 1.025 1334 I HN 0.092 nan 8.210 nan 0.000 0.396 1335 L N 1.540 122.821 121.223 0.096 0.000 2.013 1335 L HA -0.081 4.259 4.340 0.000 0.000 0.212 1335 L C -0.121 176.804 176.870 0.092 0.000 1.073 1335 L CA 1.973 56.870 54.840 0.095 0.000 0.753 1335 L CB -1.879 40.213 42.059 0.055 0.000 0.890 1335 L HN 0.259 nan 8.230 nan 0.000 0.432 1336 P HA -0.244 nan 4.420 nan 0.000 0.216 1336 P C 1.482 178.848 177.300 0.109 0.000 1.153 1336 P CA 1.392 64.529 63.100 0.062 0.000 0.858 1336 P CB -0.011 31.702 31.700 0.022 0.000 0.789 1337 Q N -0.119 119.749 119.800 0.114 0.000 2.170 1337 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 1337 Q C 1.906 178.036 176.000 0.218 0.000 0.976 1337 Q CA 1.474 57.388 55.803 0.185 0.000 0.858 1337 Q CB -0.173 28.639 28.738 0.122 0.000 0.907 1337 Q HN 0.204 nan 8.270 nan 0.000 0.433 1338 K N 0.081 120.594 120.400 0.189 0.000 2.057 1338 K HA -0.105 4.215 4.320 0.000 0.000 0.206 1338 K C 2.052 178.741 176.600 0.148 0.000 1.050 1338 K CA 1.273 57.693 56.287 0.221 0.000 0.935 1338 K CB -0.058 32.617 32.500 0.292 0.000 0.715 1338 K HN 0.290 nan 8.250 nan 0.000 0.439 1339 I N 0.225 120.878 120.570 0.138 0.000 2.252 1339 I HA -0.287 3.883 4.170 0.000 0.000 0.245 1339 I C 2.440 178.609 176.117 0.088 0.000 1.102 1339 I CA 1.120 62.477 61.300 0.094 0.000 1.385 1339 I CB -0.359 37.693 38.000 0.087 0.000 1.064 1339 I HN 0.145 nan 8.210 nan 0.000 0.414 1340 Y N 1.215 121.519 120.300 0.006 0.000 2.274 1340 Y HA -0.320 4.230 4.550 0.000 0.000 0.290 1340 Y C 2.613 178.510 175.900 -0.006 0.000 1.145 1340 Y CA 1.888 59.984 58.100 -0.008 0.000 1.203 1340 Y CB -0.854 37.601 38.460 -0.008 0.000 0.984 1340 Y HN 0.230 nan 8.280 nan 0.000 0.533 1341 H N -0.504 118.353 119.070 -0.356 0.000 2.293 1341 H HA -0.132 4.425 4.556 0.000 0.000 0.300 1341 H C 2.275 177.295 175.328 -0.514 0.000 1.082 1341 H CA 1.050 56.769 56.048 -0.549 0.000 1.308 1341 H CB -0.057 29.414 29.762 -0.486 0.000 1.375 1341 H HN 0.436 nan 8.280 nan 0.000 0.495 1342 A N 0.046 122.620 122.820 -0.409 0.000 1.940 1342 A HA -0.222 4.099 4.320 0.000 0.000 0.219 1342 A C 2.595 180.054 177.584 -0.209 0.000 1.176 1342 A CA 1.880 53.705 52.037 -0.353 0.000 0.631 1342 A CB -1.051 17.858 19.000 -0.152 0.000 0.814 1342 A HN 0.516 nan 8.150 nan 0.000 0.446 1343 S N -0.672 114.938 115.700 -0.149 0.000 2.368 1343 S HA -0.088 4.382 4.470 0.000 0.000 0.225 1343 S C 1.878 176.393 174.600 -0.142 0.000 1.030 1343 S CA 1.400 59.542 58.200 -0.097 0.000 0.999 1343 S CB -0.450 62.739 63.200 -0.019 0.000 0.844 1343 S HN 0.512 nan 8.310 nan 0.000 0.459 1344 L N 0.836 121.906 121.223 -0.254 0.000 2.141 1344 L HA -0.048 4.293 4.340 0.000 0.000 0.209 1344 L C 2.259 179.009 176.870 -0.199 0.000 1.094 1344 L CA 0.817 55.502 54.840 -0.259 0.000 0.763 1344 L CB -0.383 41.411 42.059 -0.442 0.000 0.908 1344 L HN 0.354 nan 8.230 nan 0.000 0.437 1345 L N -0.727 120.368 121.223 -0.214 0.000 2.093 1345 L HA -0.225 4.115 4.340 0.000 0.000 0.208 1345 L C 2.652 179.465 176.870 -0.095 0.000 1.085 1345 L CA 1.074 55.815 54.840 -0.166 0.000 0.755 1345 L CB -0.439 41.492 42.059 -0.214 0.000 0.904 1345 L HN 0.311 nan 8.230 nan 0.000 0.435 1346 Q N 0.885 120.634 119.800 -0.085 0.000 2.030 1346 Q HA -0.261 4.079 4.340 0.000 0.000 0.204 1346 Q C 1.927 177.916 176.000 -0.017 0.000 0.986 1346 Q CA 2.022 57.800 55.803 -0.041 0.000 0.843 1346 Q CB -0.168 28.550 28.738 -0.033 0.000 0.904 1346 Q HN 0.441 nan 8.270 nan 0.000 0.420 1347 E N -0.042 120.147 120.200 -0.018 0.000 2.204 1347 E HA -0.202 4.149 4.350 0.000 0.000 0.195 1347 E C 1.528 178.149 176.600 0.034 0.000 0.990 1347 E CA 1.130 57.543 56.400 0.022 0.000 0.821 1347 E CB -0.026 29.688 29.700 0.023 0.000 0.750 1347 E HN 0.602 nan 8.360 nan 0.000 0.477 1348 Q N -0.373 119.430 119.800 0.004 0.000 2.247 1348 Q HA 0.130 4.470 4.340 0.000 0.000 0.205 1348 Q C 0.665 176.673 176.000 0.013 0.000 0.896 1348 Q CA 0.234 56.046 55.803 0.015 0.000 0.950 1348 Q CB 0.778 29.510 28.738 -0.010 0.000 1.054 1348 Q HN 0.345 nan 8.270 nan 0.000 0.482 1349 G N 1.312 110.119 108.800 0.012 0.000 2.203 1349 G HA2 -0.280 3.681 3.960 0.000 0.000 0.263 1349 G HA3 -0.280 3.681 3.960 0.000 0.000 0.263 1349 G C 0.175 175.077 174.900 0.003 0.000 1.012 1349 G CA 0.098 45.206 45.100 0.012 0.000 0.749 1349 G HN 0.414 nan 8.290 nan 0.000 0.512 1350 L N 0.205 121.421 121.223 -0.011 0.000 2.719 1350 L HA 0.252 4.593 4.340 0.000 0.000 0.236 1350 L C 1.437 178.296 176.870 -0.020 0.000 1.285 1350 L CA -0.724 54.107 54.840 -0.015 0.000 1.222 1350 L CB 0.018 42.061 42.059 -0.026 0.000 1.493 1350 L HN 0.013 nan 8.230 nan 0.000 0.415 1351 N N 0.120 118.814 118.700 -0.010 0.000 2.272 1351 N HA -0.189 4.551 4.740 0.000 0.000 0.185 1351 N C 2.081 177.589 175.510 -0.004 0.000 1.014 1351 N CA 1.442 54.487 53.050 -0.008 0.000 0.870 1351 N CB -0.037 38.449 38.487 -0.002 0.000 0.975 1351 N HN 0.537 nan 8.380 nan 0.000 0.433 1352 S N 0.956 116.655 115.700 -0.002 0.000 2.363 1352 S HA -0.107 4.363 4.470 0.000 0.000 0.218 1352 S C 1.965 176.568 174.600 0.005 0.000 1.035 1352 S CA 0.898 59.098 58.200 0.001 0.000 1.043 1352 S CB -0.954 62.246 63.200 -0.000 0.000 0.986 1352 S HN 0.247 nan 8.310 nan 0.000 0.423 1353 L N 1.897 123.125 121.223 0.009 0.000 2.191 1353 L HA 0.004 4.344 4.340 0.000 0.000 0.212 1353 L C 2.978 179.892 176.870 0.073 0.000 1.103 1353 L CA 0.971 55.833 54.840 0.037 0.000 0.769 1353 L CB -1.298 40.782 42.059 0.035 0.000 0.908 1353 L HN 0.589 nan 8.230 nan 0.000 0.438 1354 G N 0.184 108.991 108.800 0.012 0.000 2.459 1354 G HA2 -0.323 3.637 3.960 0.000 0.000 0.217 1354 G HA3 -0.323 3.637 3.960 0.000 0.000 0.217 1354 G C 1.695 176.625 174.900 0.050 0.000 1.183 1354 G CA 1.476 46.573 45.100 -0.004 0.000 0.776 1354 G HN 0.456 nan 8.290 nan 0.000 0.552 1355 T N -0.826 113.749 114.554 0.034 0.000 2.867 1355 T HA 0.032 4.382 4.350 0.000 0.000 0.268 1355 T C 2.133 176.859 174.700 0.043 0.000 1.057 1355 T CA 1.422 63.543 62.100 0.035 0.000 1.136 1355 T CB -0.206 68.671 68.868 0.015 0.000 0.874 1355 T HN 0.311 nan 8.240 nan 0.000 0.466 1356 K N -0.030 120.389 120.400 0.032 0.000 2.113 1356 K HA -0.116 4.205 4.320 0.000 0.000 0.208 1356 K C 1.997 178.574 176.600 -0.037 0.000 1.047 1356 K CA 1.695 57.969 56.287 -0.021 0.000 0.928 1356 K CB -0.319 32.140 32.500 -0.068 0.000 0.716 1356 K HN 0.470 nan 8.250 nan 0.000 0.446 1357 Y N 0.530 120.812 120.300 -0.029 0.000 2.176 1357 Y HA -0.203 4.347 4.550 0.000 0.000 0.291 1357 Y C 2.987 178.920 175.900 0.055 0.000 1.122 1357 Y CA 1.714 59.820 58.100 0.011 0.000 1.128 1357 Y CB -0.598 37.808 38.460 -0.090 0.000 1.005 1357 Y HN 0.209 nan 8.280 nan 0.000 0.509 1358 T N -2.047 112.609 114.554 0.171 0.000 2.720 1358 T HA -0.214 4.137 4.350 0.000 0.000 0.268 1358 T C 1.453 176.190 174.700 0.061 0.000 1.037 1358 T CA 1.881 64.038 62.100 0.094 0.000 1.144 1358 T CB -0.525 68.375 68.868 0.053 0.000 0.864 1358 T HN 0.147 nan 8.240 nan 0.000 0.444 1359 D N 0.300 120.734 120.400 0.056 0.000 2.084 1359 D HA -0.055 4.585 4.640 0.000 0.000 0.194 1359 D C 1.708 178.030 176.300 0.037 0.000 0.990 1359 D CA 1.368 55.388 54.000 0.033 0.000 0.826 1359 D CB -0.759 40.057 40.800 0.027 0.000 0.971 1359 D HN 0.561 nan 8.370 nan 0.000 0.453 1360 Y N 1.264 121.527 120.300 -0.062 0.000 2.165 1360 Y HA -0.166 4.384 4.550 0.000 0.000 0.286 1360 Y C 2.052 177.928 175.900 -0.041 0.000 1.155 1360 Y CA 1.385 59.438 58.100 -0.078 0.000 1.164 1360 Y CB -0.436 37.932 38.460 -0.154 0.000 0.978 1360 Y HN -0.051 nan 8.280 nan 0.000 0.513 1361 L N -0.906 120.268 121.223 -0.083 0.000 2.201 1361 L HA -0.205 4.135 4.340 0.000 0.000 0.212 1361 L C 2.542 179.320 176.870 -0.153 0.000 1.105 1361 L CA 1.185 55.941 54.840 -0.139 0.000 0.775 1361 L CB -0.644 41.450 42.059 0.058 0.000 0.913 1361 L HN 0.161 nan 8.230 nan 0.000 0.440 1362 S N -0.035 115.606 115.700 -0.099 0.000 2.351 1362 S HA -0.212 4.258 4.470 0.000 0.000 0.220 1362 S C 2.221 176.748 174.600 -0.121 0.000 1.035 1362 S CA 1.802 59.953 58.200 -0.082 0.000 1.031 1362 S CB -0.317 62.855 63.200 -0.047 0.000 0.928 1362 S HN 0.638 nan 8.310 nan 0.000 0.433 1363 S N 1.172 116.779 115.700 -0.155 0.000 2.383 1363 S HA -0.103 4.368 4.470 0.000 0.000 0.229 1363 S C 1.964 176.435 174.600 -0.215 0.000 1.030 1363 S CA 1.454 59.557 58.200 -0.162 0.000 1.002 1363 S CB -0.743 62.366 63.200 -0.152 0.000 0.829 1363 S HN 0.360 nan 8.310 nan 0.000 0.467 1364 S N 0.726 116.220 115.700 -0.343 0.000 2.370 1364 S HA -0.060 4.410 4.470 0.000 0.000 0.226 1364 S C 1.803 176.291 174.600 -0.186 0.000 1.033 1364 S CA 1.447 59.445 58.200 -0.337 0.000 1.011 1364 S CB -0.569 62.338 63.200 -0.489 0.000 0.852 1364 S HN 0.473 nan 8.310 nan 0.000 0.457 1365 V N 1.558 121.386 119.914 -0.144 0.000 2.488 1365 V HA 0.043 4.164 4.120 0.000 0.000 0.246 1365 V C 2.414 178.462 176.094 -0.076 0.000 1.046 1365 V CA 1.333 63.580 62.300 -0.088 0.000 1.053 1365 V CB -0.599 31.187 31.823 -0.061 0.000 0.679 1365 V HN 0.376 nan 8.190 nan 0.000 0.458 1366 R N 0.764 121.216 120.500 -0.080 0.000 2.293 1366 R HA -0.081 4.260 4.340 0.000 0.000 0.219 1366 R C 1.892 178.153 176.300 -0.064 0.000 1.091 1366 R CA 1.286 57.348 56.100 -0.063 0.000 1.004 1366 R CB -0.302 29.962 30.300 -0.059 0.000 0.865 1366 R HN 0.550 nan 8.270 nan 0.000 0.469 1367 K N 0.872 121.223 120.400 -0.080 0.000 2.596 1367 K HA 0.213 4.533 4.320 0.000 0.000 0.211 1367 K C 0.219 176.777 176.600 -0.070 0.000 1.046 1367 K CA 0.398 56.640 56.287 -0.076 0.000 1.202 1367 K CB -0.209 32.235 32.500 -0.094 0.000 0.925 1367 K HN 0.069 nan 8.250 nan 0.000 0.486 1368 L N -0.047 121.140 121.223 -0.060 0.000 2.303 1368 L HA 0.469 4.809 4.340 0.000 0.000 0.266 1368 L C -2.385 174.462 176.870 -0.039 0.000 1.011 1368 L CA -2.718 52.092 54.840 -0.050 0.000 0.818 1368 L CB 2.392 44.422 42.059 -0.048 0.000 1.326 1368 L HN -0.020 nan 8.230 nan 0.000 0.435 1369 P HA 0.037 nan 4.420 nan 0.000 0.257 1369 P C 0.303 177.589 177.300 -0.023 0.000 1.189 1369 P CA 0.239 63.324 63.100 -0.026 0.000 0.780 1369 P CB 0.472 32.159 31.700 -0.022 0.000 0.772 1370 K N 2.533 122.920 120.400 -0.022 0.000 2.360 1370 K HA -0.108 4.213 4.320 0.000 0.000 0.201 1370 K C 1.823 178.413 176.600 -0.017 0.000 1.046 1370 K CA 2.150 58.424 56.287 -0.020 0.000 0.945 1370 K CB -1.144 31.344 32.500 -0.020 0.000 0.750 1370 K HN 0.497 nan 8.250 nan 0.000 0.464 1371 K N 1.095 121.486 120.400 -0.015 0.000 2.355 1371 K HA 0.168 4.489 4.320 0.000 0.000 0.198 1371 K C 0.313 176.906 176.600 -0.012 0.000 1.039 1371 K CA 0.231 56.510 56.287 -0.013 0.000 1.075 1371 K CB -0.054 32.439 32.500 -0.011 0.000 0.870 1371 K HN 0.510 nan 8.250 nan 0.000 0.540 1372 D N 0.134 120.526 120.400 -0.013 0.000 2.399 1372 D HA 0.174 4.815 4.640 0.000 0.000 0.241 1372 D C 1.298 177.591 176.300 -0.011 0.000 1.133 1372 D CA -0.352 53.641 54.000 -0.012 0.000 0.890 1372 D CB 1.110 41.902 40.800 -0.013 0.000 1.201 1372 D HN 0.177 nan 8.370 nan 0.000 0.432 1373 I N 1.162 121.726 120.570 -0.010 0.000 2.163 1373 I HA -0.289 3.881 4.170 0.000 0.000 0.243 1373 I C 2.027 178.138 176.117 -0.009 0.000 1.085 1373 I CA 0.679 61.974 61.300 -0.009 0.000 1.347 1373 I CB -0.064 37.931 38.000 -0.008 0.000 1.044 1373 I HN 0.310 nan 8.210 nan 0.000 0.408 1374 L N 0.410 121.627 121.223 -0.009 0.000 2.013 1374 L HA -0.256 4.084 4.340 0.000 0.000 0.212 1374 L C 2.645 179.509 176.870 -0.010 0.000 1.073 1374 L CA 2.161 56.996 54.840 -0.009 0.000 0.753 1374 L CB -1.565 40.489 42.059 -0.008 0.000 0.890 1374 L HN 0.244 nan 8.230 nan 0.000 0.432 1375 T N -0.367 114.179 114.554 -0.013 0.000 2.684 1375 T HA -0.199 4.151 4.350 0.000 0.000 0.267 1375 T C 1.986 176.678 174.700 -0.014 0.000 1.036 1375 T CA 1.823 63.913 62.100 -0.017 0.000 1.148 1375 T CB -0.356 68.499 68.868 -0.020 0.000 0.863 1375 T HN 0.228 nan 8.240 nan 0.000 0.436 1376 I N 1.408 121.971 120.570 -0.012 0.000 2.179 1376 I HA -0.180 3.991 4.170 0.000 0.000 0.242 1376 I C 2.502 178.614 176.117 -0.008 0.000 1.088 1376 I CA 0.951 62.245 61.300 -0.011 0.000 1.357 1376 I CB -0.428 37.566 38.000 -0.010 0.000 1.051 1376 I HN 0.164 nan 8.210 nan 0.000 0.409 1377 N N 1.063 119.759 118.700 -0.007 0.000 2.084 1377 N HA -0.127 4.613 4.740 0.000 0.000 0.190 1377 N C 2.006 177.515 175.510 -0.002 0.000 1.030 1377 N CA 1.352 54.399 53.050 -0.005 0.000 0.849 1377 N CB -0.519 37.965 38.487 -0.006 0.000 1.012 1377 N HN 0.295 nan 8.380 nan 0.000 0.423 1378 L N 0.774 121.995 121.223 -0.002 0.000 2.079 1378 L HA -0.176 4.164 4.340 0.000 0.000 0.210 1378 L C 2.213 179.083 176.870 -0.000 0.000 1.081 1378 L CA 1.149 55.990 54.840 0.002 0.000 0.752 1378 L CB -0.787 41.272 42.059 -0.000 0.000 0.896 1378 L HN 0.187 nan 8.230 nan 0.000 0.433 1379 T N -1.014 113.537 114.554 -0.006 0.000 2.708 1379 T HA -0.231 4.120 4.350 0.000 0.000 0.266 1379 T C 1.984 176.682 174.700 -0.004 0.000 1.037 1379 T CA 1.421 63.516 62.100 -0.008 0.000 1.146 1379 T CB -0.207 68.654 68.868 -0.012 0.000 0.865 1379 T HN 0.299 nan 8.240 nan 0.000 0.435 1380 R N 1.191 121.689 120.500 -0.003 0.000 2.070 1380 R HA -0.125 4.216 4.340 0.000 0.000 0.233 1380 R C 2.249 178.551 176.300 0.003 0.000 1.137 1380 R CA 1.839 57.938 56.100 -0.001 0.000 0.945 1380 R CB -0.192 30.107 30.300 -0.002 0.000 0.845 1380 R HN 0.476 nan 8.270 nan 0.000 0.430 1381 E N 0.365 120.568 120.200 0.005 0.000 2.153 1381 E HA -0.209 4.141 4.350 0.000 0.000 0.194 1381 E C 1.935 178.544 176.600 0.015 0.000 0.988 1381 E CA 1.064 57.471 56.400 0.011 0.000 0.811 1381 E CB -0.108 29.601 29.700 0.015 0.000 0.746 1381 E HN 0.233 nan 8.360 nan 0.000 0.466 1382 L N 0.601 121.832 121.223 0.014 0.000 2.109 1382 L HA -0.079 4.261 4.340 0.000 0.000 0.207 1382 L C 2.111 178.988 176.870 0.011 0.000 1.086 1382 L CA 1.587 56.437 54.840 0.016 0.000 0.760 1382 L CB -0.335 41.731 42.059 0.012 0.000 0.910 1382 L HN -0.105 nan 8.230 nan 0.000 0.437 1383 S N -0.400 115.304 115.700 0.006 0.000 2.368 1383 S HA -0.226 4.244 4.470 0.000 0.000 0.225 1383 S C 1.831 176.434 174.600 0.005 0.000 1.030 1383 S CA 1.417 59.620 58.200 0.004 0.000 0.999 1383 S CB -0.288 62.913 63.200 0.001 0.000 0.844 1383 S HN 0.548 nan 8.310 nan 0.000 0.459 1384 E N 1.247 121.451 120.200 0.007 0.000 2.058 1384 E HA -0.119 4.231 4.350 0.000 0.000 0.194 1384 E C 1.908 178.513 176.600 0.008 0.000 0.997 1384 E CA 1.387 57.792 56.400 0.007 0.000 0.801 1384 E CB -0.449 29.256 29.700 0.008 0.000 0.746 1384 E HN 0.273 nan 8.360 nan 0.000 0.450 1385 V N 0.855 120.775 119.914 0.010 0.000 2.343 1385 V HA -0.254 3.867 4.120 0.000 0.000 0.247 1385 V C 2.391 178.488 176.094 0.005 0.000 1.051 1385 V CA 1.817 64.121 62.300 0.007 0.000 1.036 1385 V CB -1.074 30.754 31.823 0.009 0.000 0.654 1385 V HN 0.451 nan 8.190 nan 0.000 0.451 1386 A N -0.130 122.695 122.820 0.009 0.000 1.883 1386 A HA -0.232 4.089 4.320 0.000 0.000 0.217 1386 A C 2.500 180.087 177.584 0.006 0.000 1.186 1386 A CA 2.371 54.413 52.037 0.008 0.000 0.624 1386 A CB -0.829 18.177 19.000 0.009 0.000 0.822 1386 A HN 0.508 nan 8.150 nan 0.000 0.444 1387 S N -0.464 115.239 115.700 0.005 0.000 2.359 1387 S HA -0.207 4.263 4.470 0.000 0.000 0.224 1387 S C 2.018 176.621 174.600 0.005 0.000 1.035 1387 S CA 1.657 59.860 58.200 0.004 0.000 1.018 1387 S CB -0.355 62.848 63.200 0.004 0.000 0.876 1387 S HN 0.609 nan 8.310 nan 0.000 0.448 1388 R N 0.517 121.020 120.500 0.005 0.000 2.200 1388 R HA 0.027 4.367 4.340 0.000 0.000 0.234 1388 R C 0.761 177.063 176.300 0.005 0.000 1.127 1388 R CA 0.740 56.843 56.100 0.006 0.000 0.989 1388 R CB -0.321 29.983 30.300 0.007 0.000 0.869 1388 R HN 0.344 nan 8.270 nan 0.000 0.459 1389 L N 1.045 122.270 121.223 0.002 0.000 2.888 1389 L HA 0.125 4.465 4.340 0.000 0.000 0.237 1389 L C -0.120 176.752 176.870 0.003 0.000 1.288 1389 L CA -0.378 54.463 54.840 0.001 0.000 1.110 1389 L CB -0.156 41.903 42.059 -0.001 0.000 1.441 1389 L HN 0.135 nan 8.230 nan 0.000 0.474 1390 S N 0.000 115.702 115.700 0.004 0.000 2.498 1390 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1390 S CA 0.000 58.202 58.200 0.004 0.000 1.107 1390 S CB 0.000 63.202 63.200 0.003 0.000 0.593 1390 S HN 0.000 nan 8.310 nan 0.000 0.517