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 2z64_1_A DATA FIRST_RESID 27 DATA SEQUENCE PcIEVVPNIT YQcMDQKLSK VPDDIPSSTK NIDLSFNPLK ILKSYSFSNF DATA SEQUENCE SELQWLDLSR CEIETIEDKA WHGLHHLSNL ILTGNPIQSF SPGSFSGLTS DATA SEQUENCE LENLVAVETK LASLESFPIG QLITLKKLNV AHNFIHSCKL PAYFSNLTNL DATA SEQUENCE VHVDLSYNYI QTITVNDLQF LRENPQVNLS LDMSLNPIDF IQDQAFQGIK DATA SEQUENCE LHELTLRGNF NSSNIMKTCL QNLAGLHVHR LILGEFKDER NLEIFEPSIM DATA SEQUENCE EGLcDVTIDE FRLTYTNDFS DDIVKFHcLA NVSAMSLAGV SIKYLEDVPK DATA SEQUENCE HFKWQSLSII RCQLKQFPTL DLPFLKSLTL TMNKGSISFK KVALPSLSYL DATA SEQUENCE DLSRNALSFS GCCSYSDLGT NSLRHLDLSF NGAIIMSANF MGLEELQHLD DATA SEQUENCE FQHSTLKRVT EFSAFLSLEK LLYLDISYTN TKIDFDGIFL GLTSLNTLKM DATA SEQUENCE AGNSFKDNTL SNVFANTTNL TFLDLSKCQL EQISWGVFDT LHRLQLLNMS DATA SEQUENCE HNNLLFLDSS HYNQLYSLST LDCSFNRIET SKGILQHFPK SLAFFNLTNN DATA SEQUENCE SVAcIcEHQK FLQWVKEQKQ FLVNVEQMTc ATPVEMNTSL VLDFNNSTc 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.353 177.300 0.089 0.000 1.155 27 P CA 0.000 63.144 63.100 0.074 0.000 0.800 27 P CB 0.000 31.745 31.700 0.076 0.000 0.726 28 c N 0.093 118.768 118.600 0.125 0.000 2.269 28 c HA 0.717 5.380 4.570 0.155 0.000 0.358 28 c C 0.441 174.610 174.090 0.131 0.000 2.879 28 c CA -0.466 55.951 56.329 0.146 0.000 1.858 28 c CB -0.048 42.593 42.510 0.217 0.000 2.419 28 c HN 0.252 nan 8.230 nan 0.000 0.366 29 I N 0.969 121.614 120.570 0.126 0.000 2.447 29 I HA 0.236 4.499 4.170 0.155 0.000 0.287 29 I C -0.322 175.763 176.117 -0.052 0.000 1.023 29 I CA 0.173 61.499 61.300 0.044 0.000 1.083 29 I CB 1.243 39.257 38.000 0.023 0.000 1.245 29 I HN 0.653 nan 8.210 nan 0.000 0.434 30 E N 5.797 125.908 120.200 -0.147 0.000 1.865 30 E HA 0.082 4.525 4.350 0.155 0.000 0.269 30 E C 0.935 177.335 176.600 -0.335 0.000 1.177 30 E CA -0.241 55.885 56.400 -0.458 0.000 0.932 30 E CB 0.874 30.394 29.700 -0.299 0.000 1.066 30 E HN 0.622 nan 8.360 nan 0.000 0.405 31 V N 2.699 122.406 119.914 -0.346 0.000 2.535 31 V HA 0.072 4.285 4.120 0.155 0.000 0.246 31 V C 0.497 176.469 176.094 -0.203 0.000 1.045 31 V CA 0.673 62.849 62.300 -0.207 0.000 1.058 31 V CB 0.435 32.170 31.823 -0.147 0.000 0.689 31 V HN 0.273 nan 8.190 nan 0.000 0.461 32 V N 3.134 122.888 119.914 -0.267 0.000 2.488 32 V HA 0.462 4.675 4.120 0.155 0.000 0.293 32 V C -2.671 173.288 176.094 -0.226 0.000 1.027 32 V CA -1.826 60.360 62.300 -0.190 0.000 0.862 32 V CB 1.488 33.235 31.823 -0.126 0.000 1.008 32 V HN 0.288 nan 8.190 nan 0.000 0.428 33 P HA 0.014 nan 4.420 nan 0.000 0.263 33 P C 0.314 177.635 177.300 0.035 0.000 1.175 33 P CA 0.584 63.639 63.100 -0.076 0.000 0.761 33 P CB 0.262 31.947 31.700 -0.026 0.000 0.794 34 N N 0.958 119.775 118.700 0.196 0.000 2.650 34 N HA -0.219 4.614 4.740 0.155 0.000 0.249 34 N C 0.685 176.309 175.510 0.190 0.000 1.155 34 N CA 1.309 54.498 53.050 0.232 0.000 0.747 34 N CB -1.646 36.917 38.487 0.127 0.000 1.132 34 N HN 0.548 nan 8.380 nan 0.000 0.564 35 I N -2.572 118.102 120.570 0.175 0.000 3.814 35 I HA 0.052 4.315 4.170 0.155 0.000 0.264 35 I C 0.002 176.185 176.117 0.110 0.000 1.145 35 I CA 0.577 61.932 61.300 0.092 0.000 1.375 35 I CB 0.573 38.577 38.000 0.008 0.000 1.638 35 I HN -0.139 nan 8.210 nan 0.000 0.432 36 T N 0.984 115.554 114.554 0.028 0.000 2.886 36 T HA 0.599 5.042 4.350 0.155 0.000 0.292 36 T C -1.513 173.137 174.700 -0.084 0.000 1.012 36 T CA -0.277 61.837 62.100 0.022 0.000 0.982 36 T CB 1.832 70.649 68.868 -0.084 0.000 1.018 36 T HN -0.131 nan 8.240 nan 0.000 0.451 37 Y N 0.877 121.168 120.300 -0.015 0.000 2.576 37 Y HA 0.571 5.215 4.550 0.156 0.000 0.346 37 Y C 0.070 175.986 175.900 0.026 0.000 1.018 37 Y CA -1.066 57.035 58.100 0.000 0.000 1.050 37 Y CB 1.952 40.407 38.460 -0.008 0.000 1.280 37 Y HN 0.323 nan 8.280 nan 0.000 0.474 38 Q N 1.430 121.329 119.800 0.164 0.000 2.394 38 Q HA 0.346 4.779 4.340 0.155 0.000 0.261 38 Q C -1.003 175.077 176.000 0.134 0.000 1.023 38 Q CA -0.118 55.762 55.803 0.128 0.000 0.720 38 Q CB 1.339 30.120 28.738 0.073 0.000 1.241 38 Q HN 0.936 nan 8.270 nan 0.000 0.483 39 c N 2.004 120.685 118.600 0.135 0.000 2.760 39 c HA 0.351 5.014 4.570 0.155 0.000 0.293 39 c C 0.997 175.157 174.090 0.116 0.000 1.383 39 c CA -0.539 55.862 56.329 0.119 0.000 1.771 39 c CB -0.802 41.775 42.510 0.112 0.000 2.353 39 c HN 0.683 nan 8.230 nan 0.000 0.578 40 M N 2.522 122.198 119.600 0.125 0.000 2.248 40 M HA 0.061 4.634 4.480 0.155 0.000 0.345 40 M C 0.257 176.646 176.300 0.148 0.000 1.243 40 M CA 1.195 56.587 55.300 0.154 0.000 1.090 40 M CB 0.109 32.814 32.600 0.175 0.000 1.683 40 M HN 0.431 nan 8.290 nan 0.000 0.450 41 D N 3.446 123.956 120.400 0.182 0.000 3.003 41 D HA -0.174 4.559 4.640 0.155 0.000 0.223 41 D C -0.451 175.898 176.300 0.082 0.000 1.204 41 D CA 0.874 54.951 54.000 0.129 0.000 0.828 41 D CB 0.030 40.872 40.800 0.071 0.000 0.918 41 D HN 0.719 nan 8.370 nan 0.000 0.401 42 Q N 1.286 121.136 119.800 0.083 0.000 2.118 42 Q HA 0.136 4.569 4.340 0.155 0.000 0.219 42 Q C 0.762 176.796 176.000 0.056 0.000 0.794 42 Q CA -0.124 55.718 55.803 0.065 0.000 1.035 42 Q CB 0.547 29.329 28.738 0.072 0.000 1.177 42 Q HN 0.583 nan 8.270 nan 0.000 0.478 43 K N 0.478 120.912 120.400 0.057 0.000 3.193 43 K HA -0.186 4.227 4.320 0.155 0.000 0.294 43 K C -0.086 176.544 176.600 0.049 0.000 1.185 43 K CA 0.403 56.718 56.287 0.048 0.000 0.866 43 K CB -1.777 30.743 32.500 0.034 0.000 1.227 43 K HN 0.249 nan 8.250 nan 0.000 0.467 44 L N 0.253 121.511 121.223 0.059 0.000 2.456 44 L HA -0.003 4.430 4.340 0.155 0.000 0.272 44 L C 1.502 178.404 176.870 0.054 0.000 1.189 44 L CA 0.188 55.063 54.840 0.058 0.000 0.846 44 L CB 1.046 43.148 42.059 0.071 0.000 1.111 44 L HN 0.020 nan 8.230 nan 0.000 0.475 45 S N 0.389 116.115 115.700 0.042 0.000 2.524 45 S HA 0.193 4.756 4.470 0.155 0.000 0.222 45 S C 0.302 174.917 174.600 0.025 0.000 1.040 45 S CA 0.098 58.317 58.200 0.031 0.000 0.915 45 S CB 0.454 63.666 63.200 0.020 0.000 0.831 45 S HN 0.515 nan 8.310 nan 0.000 0.492 46 K N 0.930 121.347 120.400 0.029 0.000 2.395 46 K HA 0.560 4.973 4.320 0.155 0.000 0.245 46 K C -0.946 175.688 176.600 0.056 0.000 1.017 46 K CA -0.781 55.518 56.287 0.021 0.000 0.852 46 K CB 1.906 34.407 32.500 0.002 0.000 1.311 46 K HN -0.125 nan 8.250 nan 0.000 0.452 47 V N 2.726 122.679 119.914 0.066 0.000 2.655 47 V HA 0.058 4.271 4.120 0.155 0.000 0.300 47 V C -2.019 174.154 176.094 0.132 0.000 1.044 47 V CA -1.212 61.178 62.300 0.150 0.000 1.095 47 V CB -0.186 31.777 31.823 0.233 0.000 0.952 47 V HN 0.665 nan 8.190 nan 0.000 0.485 48 P HA 0.073 nan 4.420 nan 0.000 0.269 48 P C -0.120 177.267 177.300 0.144 0.000 1.211 48 P CA 0.061 63.226 63.100 0.109 0.000 0.781 48 P CB 0.395 32.143 31.700 0.081 0.000 0.877 49 D N -0.967 119.490 120.400 0.094 0.000 2.454 49 D HA -0.025 4.708 4.640 0.155 0.000 0.214 49 D C 0.239 176.583 176.300 0.073 0.000 1.088 49 D CA 0.120 54.168 54.000 0.080 0.000 0.855 49 D CB -0.408 40.414 40.800 0.037 0.000 1.025 49 D HN 0.304 nan 8.370 nan 0.000 0.502 50 D N 0.782 121.218 120.400 0.060 0.000 2.559 50 D HA 0.107 4.840 4.640 0.155 0.000 0.234 50 D C -0.012 176.292 176.300 0.007 0.000 1.226 50 D CA -0.550 53.474 54.000 0.041 0.000 0.830 50 D CB -0.416 40.404 40.800 0.034 0.000 1.028 50 D HN 0.256 nan 8.370 nan 0.000 0.492 51 I N 1.352 121.925 120.570 0.005 0.000 2.416 51 I HA 0.202 4.465 4.170 0.155 0.000 0.288 51 I C -1.744 174.374 176.117 0.002 0.000 1.051 51 I CA -1.925 59.273 61.300 -0.171 0.000 1.375 51 I CB 0.664 38.495 38.000 -0.282 0.000 1.407 51 I HN -0.252 nan 8.210 nan 0.000 0.516 52 P HA -0.117 nan 4.420 nan 0.000 0.269 52 P C 0.481 177.894 177.300 0.188 0.000 1.200 52 P CA 0.253 63.392 63.100 0.066 0.000 0.779 52 P CB 0.552 32.295 31.700 0.071 0.000 0.841 53 S N -0.184 115.626 115.700 0.184 0.000 2.575 53 S HA -0.013 4.550 4.470 0.155 0.000 0.215 53 S C 1.475 176.185 174.600 0.182 0.000 0.966 53 S CA 0.671 59.014 58.200 0.238 0.000 0.911 53 S CB -0.595 62.690 63.200 0.142 0.000 0.780 53 S HN 0.525 nan 8.310 nan 0.000 0.514 54 S N 0.702 116.482 115.700 0.132 0.000 2.486 54 S HA 0.039 4.602 4.470 0.155 0.000 0.220 54 S C 1.035 175.689 174.600 0.090 0.000 1.011 54 S CA 0.476 58.734 58.200 0.097 0.000 0.921 54 S CB -1.040 62.208 63.200 0.080 0.000 0.785 54 S HN 0.632 nan 8.310 nan 0.000 0.517 55 T N 0.880 115.495 114.554 0.101 0.000 2.891 55 T HA 0.165 4.608 4.350 0.155 0.000 0.296 55 T C 0.500 175.225 174.700 0.042 0.000 1.025 55 T CA -0.077 62.075 62.100 0.086 0.000 1.149 55 T CB 0.511 69.396 68.868 0.029 0.000 1.007 55 T HN 0.353 nan 8.240 nan 0.000 0.528 56 K N 2.169 122.594 120.400 0.041 0.000 2.348 56 K HA 0.135 4.548 4.320 0.155 0.000 0.194 56 K C 0.167 176.792 176.600 0.042 0.000 1.052 56 K CA 0.103 56.403 56.287 0.021 0.000 1.004 56 K CB 0.299 32.799 32.500 -0.001 0.000 0.873 56 K HN 0.641 nan 8.250 nan 0.000 0.523 57 N N 0.965 119.702 118.700 0.062 0.000 2.430 57 N HA 0.278 5.111 4.740 0.155 0.000 0.290 57 N C -1.532 174.088 175.510 0.182 0.000 1.063 57 N CA -0.329 52.815 53.050 0.156 0.000 0.883 57 N CB 2.561 41.064 38.487 0.026 0.000 1.465 57 N HN -0.019 nan 8.380 nan 0.000 0.493 58 I N 0.970 121.659 120.570 0.197 0.000 2.466 58 I HA 0.224 4.487 4.170 0.155 0.000 0.289 58 I C -1.085 175.115 176.117 0.137 0.000 1.026 58 I CA -0.551 60.805 61.300 0.093 0.000 1.078 58 I CB 1.755 39.664 38.000 -0.152 0.000 1.249 58 I HN 0.324 nan 8.210 nan 0.000 0.429 59 D N 7.842 128.357 120.400 0.192 0.000 2.392 59 D HA 0.309 5.042 4.640 0.155 0.000 0.228 59 D C -0.137 176.212 176.300 0.081 0.000 1.074 59 D CA -0.141 53.956 54.000 0.161 0.000 0.838 59 D CB 1.555 42.517 40.800 0.270 0.000 1.067 59 D HN 0.526 nan 8.370 nan 0.000 0.511 60 L N 2.671 123.906 121.223 0.020 0.000 3.014 60 L HA 0.089 4.522 4.340 0.155 0.000 0.263 60 L C 0.794 177.686 176.870 0.037 0.000 1.207 60 L CA -0.233 54.639 54.840 0.054 0.000 1.017 60 L CB 0.412 42.520 42.059 0.083 0.000 1.360 60 L HN 0.260 nan 8.230 nan 0.000 0.560 61 S N -0.557 115.135 115.700 -0.013 0.000 2.559 61 S HA 0.100 4.663 4.470 0.155 0.000 0.282 61 S C 0.459 175.091 174.600 0.054 0.000 1.336 61 S CA -0.234 57.904 58.200 -0.103 0.000 1.037 61 S CB -0.101 62.955 63.200 -0.240 0.000 0.853 61 S HN 0.315 nan 8.310 nan 0.000 0.523 62 F N -0.676 119.288 119.950 0.024 0.000 3.056 62 F HA -0.182 4.438 4.527 0.154 0.000 0.301 62 F C 0.274 176.091 175.800 0.028 0.000 0.907 62 F CA 0.156 58.170 58.000 0.023 0.000 1.113 62 F CB -1.546 37.467 39.000 0.021 0.000 1.123 62 F HN 0.679 nan 8.300 nan 0.000 0.661 63 N N 0.374 119.178 118.700 0.173 0.000 2.249 63 N HA 0.320 5.153 4.740 0.155 0.000 0.296 63 N C -2.769 172.795 175.510 0.091 0.000 1.051 63 N CA -1.606 51.518 53.050 0.123 0.000 0.815 63 N CB 2.391 40.942 38.487 0.107 0.000 1.487 63 N HN -0.336 nan 8.380 nan 0.000 0.475 64 P HA 0.184 nan 4.420 nan 0.000 0.259 64 P C 0.685 178.012 177.300 0.044 0.000 1.635 64 P CA 0.128 63.261 63.100 0.055 0.000 1.199 64 P CB 0.075 31.801 31.700 0.044 0.000 1.850 65 L N 1.088 122.338 121.223 0.046 0.000 2.249 65 L HA -0.048 4.385 4.340 0.155 0.000 0.207 65 L C 1.433 178.311 176.870 0.014 0.000 1.090 65 L CA 0.536 55.398 54.840 0.037 0.000 0.802 65 L CB -0.337 41.758 42.059 0.061 0.000 0.947 65 L HN 0.239 nan 8.230 nan 0.000 0.453 66 K N -0.327 120.082 120.400 0.014 0.000 11.046 66 K HA -0.260 4.153 4.320 0.155 0.000 0.528 66 K C 0.425 177.012 176.600 -0.021 0.000 0.384 66 K CA 2.040 58.326 56.287 -0.002 0.000 1.939 66 K CB -1.394 31.104 32.500 -0.004 0.000 0.775 66 K HN 0.212 nan 8.250 nan 0.000 1.232 67 I N 1.708 122.257 120.570 -0.034 0.000 2.406 67 I HA 0.164 4.427 4.170 0.155 0.000 0.290 67 I C -0.268 175.802 176.117 -0.079 0.000 0.999 67 I CA -0.921 60.342 61.300 -0.061 0.000 1.124 67 I CB 1.524 39.483 38.000 -0.067 0.000 1.289 67 I HN 0.041 nan 8.210 nan 0.000 0.441 68 L N 7.262 128.422 121.223 -0.105 0.000 2.401 68 L HA 0.215 4.648 4.340 0.155 0.000 0.283 68 L C 0.467 177.198 176.870 -0.232 0.000 1.151 68 L CA 0.067 54.810 54.840 -0.160 0.000 0.942 68 L CB -0.527 41.424 42.059 -0.179 0.000 1.283 68 L HN 0.425 nan 8.230 nan 0.000 0.442 69 K N 1.438 121.716 120.400 -0.204 0.000 2.285 69 K HA 0.083 4.496 4.320 0.155 0.000 0.255 69 K C 0.227 176.701 176.600 -0.210 0.000 1.000 69 K CA 0.283 56.462 56.287 -0.179 0.000 0.887 69 K CB 0.500 32.914 32.500 -0.143 0.000 0.997 69 K HN 0.481 nan 8.250 nan 0.000 0.510 70 S N 1.657 117.284 115.700 -0.122 0.000 2.545 70 S HA 0.205 4.768 4.470 0.155 0.000 0.275 70 S C -0.898 173.765 174.600 0.105 0.000 1.299 70 S CA -0.033 58.145 58.200 -0.037 0.000 1.048 70 S CB -0.236 63.005 63.200 0.069 0.000 0.938 70 S HN 0.546 nan 8.310 nan 0.000 0.496 71 Y N 1.920 122.120 120.300 -0.167 0.000 3.589 71 Y HA -0.256 4.387 4.550 0.155 0.000 0.218 71 Y C 1.639 177.433 175.900 -0.176 0.000 1.234 71 Y CA 0.649 58.668 58.100 -0.135 0.000 1.576 71 Y CB -2.719 35.633 38.460 -0.180 0.000 1.487 71 Y HN 0.585 nan 8.280 nan 0.000 0.616 72 S N -0.826 114.750 115.700 -0.207 0.000 2.343 72 S HA -0.107 4.456 4.470 0.155 0.000 0.219 72 S C 0.936 175.305 174.600 -0.385 0.000 1.033 72 S CA 1.540 59.474 58.200 -0.443 0.000 1.014 72 S CB -0.233 62.419 63.200 -0.915 0.000 0.915 72 S HN 0.385 nan 8.310 nan 0.000 0.435 73 F N 1.497 121.524 119.950 0.127 0.000 2.916 73 F HA 0.454 5.075 4.527 0.156 0.000 0.294 73 F C 1.794 177.621 175.800 0.045 0.000 1.189 73 F CA -0.877 57.247 58.000 0.207 0.000 1.369 73 F CB -0.712 38.564 39.000 0.460 0.000 0.961 73 F HN 0.086 nan 8.300 nan 0.000 0.508 74 S N 1.140 116.882 115.700 0.070 0.000 2.359 74 S HA -0.240 4.323 4.470 0.155 0.000 0.224 74 S C 2.006 176.620 174.600 0.024 0.000 1.035 74 S CA 2.213 60.491 58.200 0.130 0.000 1.018 74 S CB -0.123 63.174 63.200 0.161 0.000 0.876 74 S HN 0.468 nan 8.310 nan 0.000 0.448 75 N N 0.468 119.018 118.700 -0.250 0.000 2.409 75 N HA 0.083 4.916 4.740 0.155 0.000 0.179 75 N C -0.246 175.181 175.510 -0.139 0.000 1.032 75 N CA 0.461 53.356 53.050 -0.259 0.000 0.898 75 N CB -0.320 37.918 38.487 -0.416 0.000 0.971 75 N HN 0.359 nan 8.380 nan 0.000 0.441 76 F N 1.065 121.108 119.950 0.155 0.000 2.661 76 F HA 0.186 4.806 4.527 0.156 0.000 0.356 76 F C 1.402 177.248 175.800 0.077 0.000 1.244 76 F CA -1.170 56.898 58.000 0.113 0.000 1.290 76 F CB -0.817 38.258 39.000 0.125 0.000 1.677 76 F HN -0.000 nan 8.300 nan 0.000 0.649 77 S N -1.074 114.751 115.700 0.209 0.000 2.561 77 S HA -0.017 4.546 4.470 0.155 0.000 0.225 77 S C 0.934 175.591 174.600 0.096 0.000 0.977 77 S CA 0.321 58.595 58.200 0.123 0.000 0.926 77 S CB -0.317 63.008 63.200 0.208 0.000 0.769 77 S HN 0.636 nan 8.310 nan 0.000 0.533 78 E N 0.298 120.554 120.200 0.094 0.000 2.583 78 E HA 0.298 4.741 4.350 0.155 0.000 0.213 78 E C -0.581 176.032 176.600 0.021 0.000 0.989 78 E CA -0.376 56.031 56.400 0.010 0.000 0.991 78 E CB 0.364 30.060 29.700 -0.006 0.000 1.040 78 E HN 0.340 nan 8.360 nan 0.000 0.481 79 L N 1.851 123.108 121.223 0.057 0.000 2.410 79 L HA -0.004 4.429 4.340 0.155 0.000 0.273 79 L C 0.748 177.625 176.870 0.011 0.000 1.144 79 L CA 0.793 55.646 54.840 0.021 0.000 0.863 79 L CB 0.612 42.673 42.059 0.003 0.000 1.140 79 L HN -0.005 nan 8.230 nan 0.000 0.463 80 Q N 3.687 123.506 119.800 0.031 0.000 2.316 80 Q HA 0.144 4.577 4.340 0.155 0.000 0.235 80 Q C -0.865 175.198 176.000 0.105 0.000 0.863 80 Q CA 0.144 55.974 55.803 0.045 0.000 0.939 80 Q CB 0.700 29.461 28.738 0.038 0.000 1.108 80 Q HN 0.697 nan 8.270 nan 0.000 0.522 81 W N 1.319 122.547 121.300 -0.122 0.000 2.968 81 W HA 0.541 5.296 4.660 0.158 0.000 0.337 81 W C -2.153 174.270 176.519 -0.159 0.000 1.060 81 W CA -1.052 56.215 57.345 -0.131 0.000 1.240 81 W CB 1.368 30.765 29.460 -0.104 0.000 1.370 81 W HN -0.074 nan 8.180 nan 0.000 0.459 82 L N 7.153 128.062 121.223 -0.523 0.000 2.372 82 L HA 0.483 4.916 4.340 0.155 0.000 0.274 82 L C -1.031 175.355 176.870 -0.805 0.000 0.988 82 L CA -0.183 54.319 54.840 -0.562 0.000 0.833 82 L CB 1.282 43.050 42.059 -0.484 0.000 1.236 82 L HN 0.354 nan 8.230 nan 0.000 0.410 83 D N 5.189 125.091 120.400 -0.830 0.000 2.317 83 D HA 0.298 5.031 4.640 0.155 0.000 0.234 83 D C -0.128 175.990 176.300 -0.302 0.000 1.112 83 D CA 0.015 53.618 54.000 -0.660 0.000 0.840 83 D CB 1.274 41.709 40.800 -0.607 0.000 1.078 83 D HN 0.681 nan 8.370 nan 0.000 0.486 84 L N 2.562 123.647 121.223 -0.230 0.000 3.218 84 L HA 0.166 4.599 4.340 0.155 0.000 0.279 84 L C 0.596 177.389 176.870 -0.129 0.000 1.287 84 L CA -0.299 54.483 54.840 -0.098 0.000 1.024 84 L CB 0.615 42.686 42.059 0.020 0.000 1.409 84 L HN 0.128 nan 8.230 nan 0.000 0.580 85 S N 1.282 116.850 115.700 -0.220 0.000 2.525 85 S HA 0.092 4.655 4.470 0.155 0.000 0.285 85 S C 0.691 175.058 174.600 -0.388 0.000 1.283 85 S CA 0.025 58.051 58.200 -0.290 0.000 1.072 85 S CB 0.087 63.072 63.200 -0.357 0.000 0.867 85 S HN 0.510 nan 8.310 nan 0.000 0.492 86 R N 2.404 122.739 120.500 -0.276 0.000 2.865 86 R HA -0.190 4.243 4.340 0.155 0.000 0.269 86 R C -0.640 175.605 176.300 -0.092 0.000 0.915 86 R CA 0.441 56.422 56.100 -0.198 0.000 0.715 86 R CB -1.886 28.244 30.300 -0.283 0.000 1.735 86 R HN 0.733 nan 8.270 nan 0.000 0.506 87 C N 2.133 121.418 119.300 -0.024 0.000 3.255 87 C HA 0.181 4.734 4.460 0.155 0.000 0.282 87 C C 0.486 175.501 174.990 0.042 0.000 1.441 87 C CA 0.251 59.286 59.018 0.028 0.000 1.785 87 C CB -0.482 27.278 27.740 0.033 0.000 2.583 87 C HN 0.950 nan 8.230 nan 0.000 0.615 88 E N 0.218 120.439 120.200 0.036 0.000 2.722 88 E HA -0.219 4.224 4.350 0.155 0.000 0.265 88 E C -0.167 176.444 176.600 0.018 0.000 1.081 88 E CA 0.324 56.743 56.400 0.032 0.000 0.781 88 E CB -1.288 28.436 29.700 0.041 0.000 1.372 88 E HN 0.694 nan 8.360 nan 0.000 0.423 89 I N 1.188 121.769 120.570 0.018 0.000 2.517 89 I HA -0.034 4.228 4.170 0.155 0.000 0.285 89 I C 1.590 177.696 176.117 -0.018 0.000 1.106 89 I CA 0.747 62.052 61.300 0.008 0.000 1.402 89 I CB 0.477 38.498 38.000 0.035 0.000 1.399 89 I HN 0.156 nan 8.210 nan 0.000 0.535 90 E N 3.063 123.241 120.200 -0.036 0.000 2.372 90 E HA 0.113 4.556 4.350 0.155 0.000 0.201 90 E C -0.239 176.306 176.600 -0.091 0.000 0.938 90 E CA 0.437 56.805 56.400 -0.055 0.000 0.944 90 E CB 0.786 30.465 29.700 -0.035 0.000 0.937 90 E HN 0.559 nan 8.360 nan 0.000 0.495 91 T N 1.153 115.651 114.554 -0.094 0.000 3.050 91 T HA 0.372 4.815 4.350 0.155 0.000 0.310 91 T C -0.362 174.256 174.700 -0.137 0.000 0.978 91 T CA -0.478 61.550 62.100 -0.120 0.000 1.013 91 T CB 1.248 70.058 68.868 -0.097 0.000 1.000 91 T HN -0.024 nan 8.240 nan 0.000 0.447 92 I N 3.220 123.688 120.570 -0.170 0.000 2.389 92 I HA 0.130 4.393 4.170 0.155 0.000 0.295 92 I C 1.056 177.039 176.117 -0.222 0.000 1.117 92 I CA -0.155 61.020 61.300 -0.209 0.000 1.317 92 I CB 0.265 38.160 38.000 -0.176 0.000 1.431 92 I HN 0.592 nan 8.210 nan 0.000 0.521 93 E N 4.701 124.760 120.200 -0.234 0.000 2.404 93 E HA -0.048 4.395 4.350 0.155 0.000 0.261 93 E C -0.192 176.280 176.600 -0.213 0.000 1.074 93 E CA -0.570 55.715 56.400 -0.191 0.000 0.917 93 E CB 0.667 30.264 29.700 -0.172 0.000 0.965 93 E HN 0.393 nan 8.360 nan 0.000 0.433 94 D N 2.162 122.478 120.400 -0.141 0.000 2.472 94 D HA -0.067 4.666 4.640 0.155 0.000 0.237 94 D C -0.287 175.937 176.300 -0.126 0.000 1.141 94 D CA 0.915 54.846 54.000 -0.114 0.000 0.875 94 D CB 0.347 41.112 40.800 -0.058 0.000 1.192 94 D HN 0.496 nan 8.370 nan 0.000 0.450 95 K N 1.079 121.397 120.400 -0.137 0.000 3.160 95 K HA -0.260 4.153 4.320 0.155 0.000 0.280 95 K C 0.953 177.365 176.600 -0.313 0.000 1.154 95 K CA 0.580 56.760 56.287 -0.179 0.000 0.822 95 K CB -1.609 30.812 32.500 -0.131 0.000 1.239 95 K HN 0.404 nan 8.250 nan 0.000 0.489 96 A N -0.056 122.507 122.820 -0.428 0.000 1.972 96 A HA -0.107 4.306 4.320 0.155 0.000 0.219 96 A C 1.360 178.705 177.584 -0.397 0.000 1.169 96 A CA 1.286 52.968 52.037 -0.592 0.000 0.635 96 A CB -0.476 17.923 19.000 -1.002 0.000 0.810 96 A HN 0.564 nan 8.150 nan 0.000 0.446 97 W N -1.502 119.827 121.300 0.048 0.000 3.325 97 W HA 0.271 5.025 4.660 0.156 0.000 0.370 97 W C 1.496 178.049 176.519 0.057 0.000 1.169 97 W CA -0.153 57.259 57.345 0.113 0.000 1.874 97 W CB -0.284 29.235 29.460 0.099 0.000 1.076 97 W HN 0.618 nan 8.180 nan 0.000 0.684 98 H N 1.079 120.134 119.070 -0.025 0.000 2.268 98 H HA -0.256 4.393 4.556 0.155 0.000 0.288 98 H C 2.388 177.741 175.328 0.041 0.000 1.088 98 H CA 2.890 58.842 56.048 -0.159 0.000 1.182 98 H CB -0.585 28.777 29.762 -0.665 0.000 1.348 98 H HN 0.111 nan 8.280 nan 0.000 0.499 99 G N -0.063 108.787 108.800 0.083 0.000 2.598 99 G HA2 -0.035 4.018 3.960 0.155 0.000 0.215 99 G HA3 -0.035 4.018 3.960 0.155 0.000 0.215 99 G C 0.709 175.716 174.900 0.178 0.000 1.131 99 G CA 0.492 45.661 45.100 0.114 0.000 0.785 99 G HN 0.412 nan 8.290 nan 0.000 0.539 100 L N 2.501 123.822 121.223 0.163 0.000 2.998 100 L HA 0.196 4.629 4.340 0.155 0.000 0.234 100 L C 1.655 178.500 176.870 -0.042 0.000 1.350 100 L CA -0.445 54.438 54.840 0.071 0.000 1.202 100 L CB -0.482 41.668 42.059 0.151 0.000 1.583 100 L HN 0.367 nan 8.230 nan 0.000 0.456 101 H N -1.955 117.073 119.070 -0.071 0.000 2.524 101 H HA -0.066 4.583 4.556 0.155 0.000 0.282 101 H C 0.988 176.182 175.328 -0.223 0.000 1.016 101 H CA 0.745 56.690 56.048 -0.171 0.000 1.270 101 H CB -0.017 29.592 29.762 -0.254 0.000 1.394 101 H HN 0.483 nan 8.280 nan 0.000 0.568 102 H N 0.118 118.982 119.070 -0.344 0.000 2.551 102 H HA 0.169 4.818 4.556 0.155 0.000 0.271 102 H C 0.421 175.677 175.328 -0.121 0.000 0.984 102 H CA -0.425 55.508 56.048 -0.192 0.000 1.164 102 H CB 0.411 30.040 29.762 -0.221 0.000 1.437 102 H HN 0.191 nan 8.280 nan 0.000 0.550 103 L N 1.991 123.195 121.223 -0.033 0.000 2.456 103 L HA -0.004 4.429 4.340 0.155 0.000 0.272 103 L C 1.191 178.021 176.870 -0.068 0.000 1.189 103 L CA 0.505 55.309 54.840 -0.059 0.000 0.846 103 L CB 0.863 42.849 42.059 -0.122 0.000 1.111 103 L HN 0.056 nan 8.230 nan 0.000 0.475 104 S N 1.466 117.133 115.700 -0.055 0.000 2.631 104 S HA 0.338 4.901 4.470 0.155 0.000 0.246 104 S C 0.231 174.788 174.600 -0.072 0.000 1.068 104 S CA -0.492 57.676 58.200 -0.054 0.000 0.995 104 S CB 0.074 63.266 63.200 -0.014 0.000 0.944 104 S HN 0.655 nan 8.310 nan 0.000 0.529 105 N N 1.593 120.250 118.700 -0.072 0.000 2.491 105 N HA 0.489 5.322 4.740 0.155 0.000 0.274 105 N C -2.157 173.172 175.510 -0.300 0.000 1.023 105 N CA -0.286 52.692 53.050 -0.119 0.000 0.902 105 N CB 2.240 40.775 38.487 0.081 0.000 1.267 105 N HN 0.227 nan 8.380 nan 0.000 0.503 106 L N 4.244 125.272 121.223 -0.324 0.000 2.319 106 L HA 0.599 5.032 4.340 0.155 0.000 0.281 106 L C -1.056 175.615 176.870 -0.333 0.000 1.005 106 L CA -0.462 54.140 54.840 -0.396 0.000 0.828 106 L CB 0.883 42.671 42.059 -0.452 0.000 1.227 106 L HN 0.401 nan 8.230 nan 0.000 0.415 107 I N 6.609 126.953 120.570 -0.378 0.000 2.330 107 I HA 0.280 4.543 4.170 0.155 0.000 0.289 107 I C -0.016 175.995 176.117 -0.177 0.000 1.001 107 I CA -0.228 60.900 61.300 -0.286 0.000 1.193 107 I CB 1.219 38.986 38.000 -0.388 0.000 1.345 107 I HN 0.564 nan 8.210 nan 0.000 0.461 108 L N 5.599 126.779 121.223 -0.071 0.000 3.218 108 L HA 0.222 4.655 4.340 0.155 0.000 0.279 108 L C 0.135 177.010 176.870 0.008 0.000 1.287 108 L CA -0.192 54.664 54.840 0.026 0.000 1.024 108 L CB 0.248 42.418 42.059 0.186 0.000 1.409 108 L HN 0.560 nan 8.230 nan 0.000 0.580 109 T N 0.376 114.890 114.554 -0.066 0.000 2.902 109 T HA 0.271 4.714 4.350 0.155 0.000 0.301 109 T C 1.325 175.967 174.700 -0.097 0.000 1.012 109 T CA 0.676 62.726 62.100 -0.085 0.000 1.151 109 T CB 1.013 69.810 68.868 -0.119 0.000 0.946 109 T HN 0.610 nan 8.240 nan 0.000 0.542 110 G N 3.074 111.820 108.800 -0.091 0.000 2.176 110 G HA2 -0.260 3.793 3.960 0.155 0.000 0.252 110 G HA3 -0.260 3.793 3.960 0.155 0.000 0.252 110 G C -0.214 174.659 174.900 -0.046 0.000 1.024 110 G CA -0.354 44.690 45.100 -0.094 0.000 0.755 110 G HN 0.795 nan 8.290 nan 0.000 0.507 111 N N 0.630 119.324 118.700 -0.009 0.000 2.438 111 N HA 0.522 5.355 4.740 0.155 0.000 0.282 111 N C -2.223 173.293 175.510 0.009 0.000 1.037 111 N CA -1.813 51.243 53.050 0.011 0.000 0.942 111 N CB 1.505 40.015 38.487 0.038 0.000 1.136 111 N HN -0.082 nan 8.380 nan 0.000 0.481 112 P HA 0.014 nan 4.420 nan 0.000 0.286 112 P C -0.048 177.234 177.300 -0.029 0.000 1.577 112 P CA 0.278 63.380 63.100 0.004 0.000 0.805 112 P CB -0.504 31.205 31.700 0.015 0.000 1.706 113 I N -3.437 117.089 120.570 -0.074 0.000 3.425 113 I HA 0.087 4.350 4.170 0.155 0.000 0.298 113 I C 1.505 177.441 176.117 -0.302 0.000 1.278 113 I CA -0.136 61.027 61.300 -0.228 0.000 1.475 113 I CB -0.587 37.187 38.000 -0.376 0.000 1.283 113 I HN 0.023 nan 8.210 nan 0.000 0.540 114 Q N 1.831 121.581 119.800 -0.082 0.000 2.188 114 Q HA -0.229 4.203 4.340 0.155 0.000 0.217 114 Q C 0.381 176.406 176.000 0.043 0.000 1.018 114 Q CA 1.868 57.693 55.803 0.036 0.000 0.910 114 Q CB 0.117 28.906 28.738 0.085 0.000 0.979 114 Q HN 0.705 nan 8.270 nan 0.000 0.413 115 S N -0.173 115.476 115.700 -0.085 0.000 2.474 115 S HA 0.394 4.957 4.470 0.155 0.000 0.321 115 S C -1.222 173.314 174.600 -0.105 0.000 1.080 115 S CA -0.615 57.592 58.200 0.011 0.000 1.106 115 S CB 0.540 63.753 63.200 0.022 0.000 0.984 115 S HN 0.168 nan 8.310 nan 0.000 0.464 116 F N 2.088 122.116 119.950 0.130 0.000 2.334 116 F HA 0.344 4.964 4.527 0.155 0.000 0.367 116 F C 1.092 176.900 175.800 0.013 0.000 1.115 116 F CA -0.581 57.458 58.000 0.063 0.000 1.116 116 F CB 0.659 39.741 39.000 0.136 0.000 1.230 116 F HN 0.327 nan 8.300 nan 0.000 0.484 117 S N 5.214 120.962 115.700 0.079 0.000 2.562 117 S HA 0.203 4.766 4.470 0.155 0.000 0.281 117 S C -2.122 172.488 174.600 0.016 0.000 1.333 117 S CA -1.037 57.187 58.200 0.039 0.000 1.052 117 S CB 0.320 63.515 63.200 -0.008 0.000 0.884 117 S HN 0.297 nan 8.310 nan 0.000 0.506 118 P HA 0.099 nan 4.420 nan 0.000 0.266 118 P C 0.757 178.042 177.300 -0.025 0.000 1.193 118 P CA 0.642 63.738 63.100 -0.006 0.000 0.770 118 P CB 0.106 31.809 31.700 0.005 0.000 0.836 119 G N 1.648 110.430 108.800 -0.030 0.000 2.141 119 G HA2 -0.293 3.760 3.960 0.155 0.000 0.242 119 G HA3 -0.293 3.760 3.960 0.155 0.000 0.242 119 G C 1.232 176.099 174.900 -0.054 0.000 0.982 119 G CA 0.442 45.529 45.100 -0.020 0.000 0.662 119 G HN 0.451 nan 8.290 nan 0.000 0.527 120 S N -0.288 115.320 115.700 -0.154 0.000 2.359 120 S HA -0.001 4.562 4.470 0.155 0.000 0.224 120 S C 1.361 175.853 174.600 -0.180 0.000 1.035 120 S CA 1.692 59.700 58.200 -0.320 0.000 1.018 120 S CB -0.256 62.557 63.200 -0.645 0.000 0.876 120 S HN 0.470 nan 8.310 nan 0.000 0.448 121 F N 2.235 122.315 119.950 0.218 0.000 2.668 121 F HA 0.324 4.944 4.527 0.155 0.000 0.297 121 F C 1.049 176.961 175.800 0.187 0.000 1.124 121 F CA -0.890 57.241 58.000 0.219 0.000 1.353 121 F CB -0.585 38.364 39.000 -0.084 0.000 0.992 121 F HN -0.009 nan 8.300 nan 0.000 0.524 122 S N -0.368 115.513 115.700 0.303 0.000 2.562 122 S HA 0.504 5.067 4.470 0.155 0.000 0.281 122 S C 1.280 176.021 174.600 0.235 0.000 1.333 122 S CA 0.208 58.521 58.200 0.188 0.000 1.052 122 S CB 1.243 64.502 63.200 0.098 0.000 0.884 122 S HN 0.797 nan 8.310 nan 0.000 0.506 123 G N 1.365 110.247 108.800 0.136 0.000 2.279 123 G HA2 -0.208 3.845 3.960 0.155 0.000 0.223 123 G HA3 -0.208 3.845 3.960 0.155 0.000 0.223 123 G C 0.039 174.996 174.900 0.095 0.000 1.015 123 G CA -0.036 45.131 45.100 0.113 0.000 0.621 123 G HN 0.749 nan 8.290 nan 0.000 0.506 124 L N 3.563 124.833 121.223 0.079 0.000 2.533 124 L HA 0.360 4.793 4.340 0.155 0.000 0.239 124 L C 2.132 178.973 176.870 -0.048 0.000 1.376 124 L CA 1.283 56.101 54.840 -0.037 0.000 1.240 124 L CB -0.438 41.526 42.059 -0.158 0.000 1.487 124 L HN 0.470 nan 8.230 nan 0.000 0.419 125 T N -5.296 109.245 114.554 -0.022 0.000 3.160 125 T HA 0.026 4.469 4.350 0.155 0.000 0.257 125 T C 1.226 175.901 174.700 -0.041 0.000 1.147 125 T CA 0.496 62.579 62.100 -0.029 0.000 1.064 125 T CB 0.037 68.894 68.868 -0.019 0.000 0.949 125 T HN 0.263 nan 8.240 nan 0.000 0.526 126 S N 0.116 115.784 115.700 -0.053 0.000 2.937 126 S HA 0.389 4.952 4.470 0.155 0.000 0.252 126 S C -0.204 174.358 174.600 -0.063 0.000 1.022 126 S CA -0.640 57.535 58.200 -0.042 0.000 1.079 126 S CB 0.195 63.387 63.200 -0.013 0.000 1.035 126 S HN 0.368 nan 8.310 nan 0.000 0.594 127 L N 2.628 123.790 121.223 -0.103 0.000 2.367 127 L HA 0.313 4.746 4.340 0.155 0.000 0.275 127 L C 0.824 177.619 176.870 -0.125 0.000 1.129 127 L CA 0.849 55.605 54.840 -0.139 0.000 0.839 127 L CB 0.566 42.498 42.059 -0.211 0.000 1.133 127 L HN 0.138 nan 8.230 nan 0.000 0.453 128 E N 2.386 122.521 120.200 -0.109 0.000 2.490 128 E HA 0.171 4.614 4.350 0.155 0.000 0.209 128 E C -0.253 176.283 176.600 -0.105 0.000 0.971 128 E CA 0.080 56.423 56.400 -0.095 0.000 0.988 128 E CB 0.482 30.143 29.700 -0.065 0.000 1.029 128 E HN 0.625 nan 8.360 nan 0.000 0.496 129 N N 1.066 119.690 118.700 -0.127 0.000 2.581 129 N HA 0.251 5.084 4.740 0.155 0.000 0.279 129 N C -2.028 173.379 175.510 -0.171 0.000 1.124 129 N CA -0.331 52.645 53.050 -0.122 0.000 0.833 129 N CB 1.231 39.670 38.487 -0.080 0.000 1.338 129 N HN -0.083 nan 8.380 nan 0.000 0.533 130 L N 4.214 125.327 121.223 -0.182 0.000 2.313 130 L HA 0.646 5.079 4.340 0.155 0.000 0.283 130 L C -1.411 175.383 176.870 -0.127 0.000 1.013 130 L CA -0.660 54.050 54.840 -0.216 0.000 0.816 130 L CB 1.599 43.451 42.059 -0.345 0.000 1.236 130 L HN 0.194 nan 8.230 nan 0.000 0.419 131 V N 5.496 125.343 119.914 -0.112 0.000 2.325 131 V HA 0.659 4.872 4.120 0.155 0.000 0.280 131 V C 0.322 176.402 176.094 -0.024 0.000 1.016 131 V CA -0.144 62.115 62.300 -0.068 0.000 0.818 131 V CB 1.123 32.894 31.823 -0.086 0.000 1.019 131 V HN 0.912 nan 8.190 nan 0.000 0.434 132 A N 5.342 128.166 122.820 0.007 0.000 3.215 132 A HA 0.655 5.068 4.320 0.155 0.000 0.320 132 A C -0.129 177.452 177.584 -0.006 0.000 1.084 132 A CA -0.333 51.743 52.037 0.066 0.000 0.969 132 A CB 0.187 19.266 19.000 0.133 0.000 1.064 132 A HN 0.561 nan 8.150 nan 0.000 0.513 133 V N 0.734 120.632 119.914 -0.027 0.000 2.775 133 V HA 0.151 4.364 4.120 0.155 0.000 0.299 133 V C 1.224 177.266 176.094 -0.088 0.000 1.062 133 V CA -0.027 62.242 62.300 -0.051 0.000 1.063 133 V CB 0.767 32.556 31.823 -0.056 0.000 0.994 133 V HN 0.978 nan 8.190 nan 0.000 0.483 134 E N 1.688 121.803 120.200 -0.142 0.000 2.238 134 E HA -0.265 4.178 4.350 0.155 0.000 0.219 134 E C 0.938 177.459 176.600 -0.131 0.000 1.275 134 E CA 0.657 56.906 56.400 -0.252 0.000 0.714 134 E CB -0.583 28.834 29.700 -0.472 0.000 1.154 134 E HN 1.092 nan 8.360 nan 0.000 0.363 135 T N -2.280 112.249 114.554 -0.041 0.000 3.105 135 T HA 0.198 4.641 4.350 0.155 0.000 0.253 135 T C 0.596 175.332 174.700 0.061 0.000 1.047 135 T CA 0.237 62.381 62.100 0.073 0.000 0.944 135 T CB 0.118 69.162 68.868 0.294 0.000 1.016 135 T HN 0.364 nan 8.240 nan 0.000 0.544 136 K N 0.737 121.093 120.400 -0.074 0.000 3.230 136 K HA -0.107 4.306 4.320 0.155 0.000 0.285 136 K C -0.062 176.591 176.600 0.089 0.000 1.196 136 K CA 0.072 56.294 56.287 -0.108 0.000 0.838 136 K CB -1.778 30.787 32.500 0.108 0.000 1.262 136 K HN 0.416 nan 8.250 nan 0.000 0.492 137 L N 0.908 122.171 121.223 0.065 0.000 2.534 137 L HA 0.067 4.500 4.340 0.155 0.000 0.271 137 L C 1.488 178.444 176.870 0.143 0.000 1.178 137 L CA 1.299 56.206 54.840 0.113 0.000 0.907 137 L CB 0.599 42.594 42.059 -0.106 0.000 1.164 137 L HN 0.360 nan 8.230 nan 0.000 0.482 138 A N 4.533 127.486 122.820 0.222 0.000 1.887 138 A HA 0.094 4.507 4.320 0.155 0.000 0.212 138 A C 1.055 178.759 177.584 0.200 0.000 1.198 138 A CA 0.863 53.062 52.037 0.269 0.000 0.628 138 A CB 0.118 19.273 19.000 0.259 0.000 0.847 138 A HN 0.707 nan 8.150 nan 0.000 0.449 139 S N -2.400 113.391 115.700 0.152 0.000 2.579 139 S HA 0.557 5.120 4.470 0.155 0.000 0.272 139 S C 0.206 174.874 174.600 0.113 0.000 1.141 139 S CA -0.616 57.657 58.200 0.121 0.000 0.843 139 S CB 0.938 64.217 63.200 0.130 0.000 1.122 139 S HN 0.210 nan 8.310 nan 0.000 0.468 140 L N 2.329 123.609 121.223 0.096 0.000 2.313 140 L HA 0.091 4.524 4.340 0.155 0.000 0.214 140 L C 2.087 179.140 176.870 0.305 0.000 1.119 140 L CA 0.605 55.553 54.840 0.180 0.000 0.809 140 L CB -0.219 41.892 42.059 0.085 0.000 0.933 140 L HN 0.684 nan 8.230 nan 0.000 0.449 141 E N -0.028 120.287 120.200 0.191 0.000 2.072 141 E HA -0.191 4.252 4.350 0.155 0.000 0.191 141 E C 2.336 179.107 176.600 0.285 0.000 0.985 141 E CA 1.618 58.149 56.400 0.219 0.000 0.801 141 E CB -0.360 29.403 29.700 0.105 0.000 0.750 141 E HN 0.499 nan 8.360 nan 0.000 0.452 142 S N 0.690 116.541 115.700 0.251 0.000 2.402 142 S HA -0.119 4.444 4.470 0.155 0.000 0.229 142 S C 0.863 175.649 174.600 0.311 0.000 1.021 142 S CA -0.188 58.161 58.200 0.248 0.000 0.974 142 S CB -0.511 62.829 63.200 0.234 0.000 0.800 142 S HN 0.073 nan 8.310 nan 0.000 0.484 143 F N 5.311 125.355 119.950 0.156 0.000 2.546 143 F HA 0.286 4.905 4.527 0.155 0.000 0.388 143 F C -2.228 173.584 175.800 0.020 0.000 1.051 143 F CA -2.575 55.482 58.000 0.095 0.000 1.130 143 F CB 0.522 39.569 39.000 0.079 0.000 1.044 143 F HN 0.156 nan 8.300 nan 0.000 0.553 144 P HA 0.145 nan 4.420 nan 0.000 0.219 144 P C 0.351 177.502 177.300 -0.248 0.000 1.832 144 P CA 0.301 63.283 63.100 -0.198 0.000 1.014 144 P CB -0.596 31.057 31.700 -0.077 0.000 1.939 145 I N -3.206 117.071 120.570 -0.489 0.000 4.154 145 I HA 0.349 4.612 4.170 0.155 0.000 0.334 145 I C 1.753 177.631 176.117 -0.398 0.000 1.371 145 I CA -0.185 60.850 61.300 -0.441 0.000 1.110 145 I CB -0.135 37.567 38.000 -0.497 0.000 1.085 145 I HN -0.050 nan 8.210 nan 0.000 0.398 146 G N 1.690 110.152 108.800 -0.563 0.000 2.501 146 G HA2 -0.165 3.888 3.960 0.155 0.000 0.220 146 G HA3 -0.165 3.888 3.960 0.155 0.000 0.220 146 G C 1.351 176.176 174.900 -0.124 0.000 1.114 146 G CA 0.628 45.520 45.100 -0.346 0.000 0.757 146 G HN 0.547 nan 8.290 nan 0.000 0.559 147 Q N -0.576 119.151 119.800 -0.122 0.000 2.247 147 Q HA 0.219 4.652 4.340 0.155 0.000 0.204 147 Q C -0.092 175.867 176.000 -0.068 0.000 0.872 147 Q CA -0.296 55.470 55.803 -0.062 0.000 0.951 147 Q CB 0.613 29.328 28.738 -0.038 0.000 1.099 147 Q HN 0.252 nan 8.270 nan 0.000 0.501 148 L N 2.016 123.173 121.223 -0.110 0.000 2.399 148 L HA 0.186 4.619 4.340 0.155 0.000 0.257 148 L C 1.160 177.969 176.870 -0.101 0.000 1.236 148 L CA 0.042 54.807 54.840 -0.125 0.000 1.144 148 L CB -0.424 41.511 42.059 -0.206 0.000 1.379 148 L HN 0.134 nan 8.230 nan 0.000 0.414 149 I N -0.195 120.335 120.570 -0.067 0.000 2.546 149 I HA -0.176 4.087 4.170 0.155 0.000 0.255 149 I C 2.037 178.122 176.117 -0.053 0.000 1.163 149 I CA 1.233 62.505 61.300 -0.047 0.000 1.457 149 I CB -0.423 37.561 38.000 -0.026 0.000 1.092 149 I HN 0.582 nan 8.210 nan 0.000 0.434 150 T N -0.570 113.946 114.554 -0.064 0.000 3.055 150 T HA 0.050 4.493 4.350 0.155 0.000 0.265 150 T C 0.825 175.478 174.700 -0.078 0.000 1.111 150 T CA -0.158 61.906 62.100 -0.061 0.000 1.118 150 T CB -0.442 68.391 68.868 -0.058 0.000 0.909 150 T HN 0.123 nan 8.240 nan 0.000 0.501 151 L N 1.621 122.781 121.223 -0.105 0.000 2.543 151 L HA 0.144 4.577 4.340 0.155 0.000 0.285 151 L C 1.075 177.882 176.870 -0.104 0.000 1.236 151 L CA 0.695 55.460 54.840 -0.125 0.000 0.871 151 L CB 0.519 42.478 42.059 -0.166 0.000 1.121 151 L HN 0.029 nan 8.230 nan 0.000 0.501 152 K N 3.133 123.478 120.400 -0.092 0.000 2.353 152 K HA 0.241 4.654 4.320 0.155 0.000 0.206 152 K C -0.225 176.343 176.600 -0.053 0.000 1.191 152 K CA 0.029 56.275 56.287 -0.068 0.000 0.897 152 K CB 0.459 32.926 32.500 -0.055 0.000 1.283 152 K HN 0.488 nan 8.250 nan 0.000 0.477 153 K N 1.743 122.113 120.400 -0.050 0.000 2.203 153 K HA 0.377 4.790 4.320 0.155 0.000 0.251 153 K C -1.072 175.512 176.600 -0.026 0.000 0.944 153 K CA -0.640 55.645 56.287 -0.003 0.000 0.829 153 K CB 2.165 34.657 32.500 -0.013 0.000 1.125 153 K HN -0.051 nan 8.250 nan 0.000 0.430 154 L N 2.837 124.071 121.223 0.019 0.000 2.446 154 L HA 0.343 4.776 4.340 0.155 0.000 0.268 154 L C -1.475 175.416 176.870 0.036 0.000 0.975 154 L CA -0.241 54.596 54.840 -0.005 0.000 0.848 154 L CB 1.331 43.377 42.059 -0.021 0.000 1.225 154 L HN 0.775 nan 8.230 nan 0.000 0.410 155 N N 4.129 122.836 118.700 0.012 0.000 2.457 155 N HA 0.419 5.252 4.740 0.155 0.000 0.250 155 N C 0.191 175.685 175.510 -0.026 0.000 0.982 155 N CA -0.298 52.761 53.050 0.015 0.000 0.941 155 N CB 1.315 39.807 38.487 0.008 0.000 1.120 155 N HN 0.534 nan 8.380 nan 0.000 0.505 156 V N 1.355 121.247 119.914 -0.036 0.000 2.909 156 V HA 0.505 4.718 4.120 0.155 0.000 0.362 156 V C 0.654 176.715 176.094 -0.055 0.000 1.356 156 V CA -0.669 61.577 62.300 -0.090 0.000 1.195 156 V CB -0.246 31.481 31.823 -0.160 0.000 1.256 156 V HN 0.540 nan 8.190 nan 0.000 0.567 157 A N -0.018 122.795 122.820 -0.013 0.000 2.386 157 A HA 0.500 4.913 4.320 0.155 0.000 0.246 157 A C 0.690 178.325 177.584 0.085 0.000 1.089 157 A CA 0.530 52.581 52.037 0.023 0.000 0.790 157 A CB -0.462 18.557 19.000 0.032 0.000 1.042 157 A HN 1.328 nan 8.150 nan 0.000 0.497 158 H N -0.439 118.627 119.070 -0.008 0.000 2.680 158 H HA -0.143 4.506 4.556 0.155 0.000 0.328 158 H C -0.125 175.124 175.328 -0.131 0.000 1.139 158 H CA 0.688 56.749 56.048 0.022 0.000 1.124 158 H CB -1.054 28.729 29.762 0.035 0.000 1.584 158 H HN 0.740 nan 8.280 nan 0.000 0.410 159 N N 0.033 118.709 118.700 -0.041 0.000 3.479 159 N HA 0.235 5.068 4.740 0.155 0.000 0.336 159 N C -0.596 174.782 175.510 -0.220 0.000 1.623 159 N CA -0.525 52.395 53.050 -0.216 0.000 0.759 159 N CB 0.442 38.853 38.487 -0.126 0.000 2.016 159 N HN 0.096 nan 8.380 nan 0.000 0.637 160 F N 1.075 121.116 119.950 0.151 0.000 2.942 160 F HA 0.511 5.131 4.527 0.155 0.000 0.324 160 F C 0.375 176.252 175.800 0.128 0.000 1.265 160 F CA -0.427 57.701 58.000 0.214 0.000 1.255 160 F CB -0.360 38.776 39.000 0.227 0.000 1.048 160 F HN 0.094 nan 8.300 nan 0.000 0.512 161 I N 1.369 122.038 120.570 0.165 0.000 2.379 161 I HA 0.050 4.313 4.170 0.155 0.000 0.290 161 I C 1.326 177.479 176.117 0.060 0.000 1.063 161 I CA 0.094 61.462 61.300 0.113 0.000 1.351 161 I CB 0.650 38.669 38.000 0.032 0.000 1.410 161 I HN 0.363 nan 8.210 nan 0.000 0.505 162 H N 3.114 122.271 119.070 0.145 0.000 2.592 162 H HA 0.124 4.773 4.556 0.155 0.000 0.265 162 H C 0.675 176.048 175.328 0.075 0.000 0.955 162 H CA 0.127 56.248 56.048 0.122 0.000 1.175 162 H CB 0.930 30.746 29.762 0.090 0.000 1.433 162 H HN 0.454 nan 8.280 nan 0.000 0.537 163 S N 0.377 116.166 115.700 0.148 0.000 2.433 163 S HA 0.108 4.671 4.470 0.155 0.000 0.310 163 S C 0.868 175.480 174.600 0.021 0.000 1.097 163 S CA -0.632 57.613 58.200 0.075 0.000 1.103 163 S CB 0.902 64.133 63.200 0.053 0.000 0.992 163 S HN 0.403 nan 8.310 nan 0.000 0.469 164 C N 5.063 124.367 119.300 0.007 0.000 2.573 164 C HA 0.346 4.899 4.460 0.155 0.000 0.273 164 C C 0.898 175.843 174.990 -0.076 0.000 1.346 164 C CA -0.246 58.758 59.018 -0.024 0.000 1.702 164 C CB -2.254 25.479 27.740 -0.012 0.000 1.751 164 C HN 0.865 nan 8.230 nan 0.000 0.583 165 K N 1.133 121.480 120.400 -0.088 0.000 2.511 165 K HA 0.128 4.541 4.320 0.155 0.000 0.280 165 K C -0.683 175.757 176.600 -0.268 0.000 1.008 165 K CA 0.438 56.633 56.287 -0.152 0.000 1.050 165 K CB 0.100 32.522 32.500 -0.131 0.000 0.889 165 K HN 0.278 nan 8.250 nan 0.000 0.484 166 L N 8.975 129.986 121.223 -0.353 0.000 2.259 166 L HA 0.339 4.771 4.340 0.155 0.000 0.288 166 L C -2.055 174.230 176.870 -0.974 0.000 1.051 166 L CA -1.813 52.611 54.840 -0.694 0.000 0.824 166 L CB 0.961 42.736 42.059 -0.473 0.000 1.206 166 L HN 0.670 nan 8.230 nan 0.000 0.429 167 P HA -0.074 nan 4.420 nan 0.000 0.267 167 P C 0.227 176.888 177.300 -1.065 0.000 1.195 167 P CA 0.204 62.632 63.100 -1.121 0.000 0.773 167 P CB 0.777 31.547 31.700 -1.550 0.000 0.837 168 A N 2.808 125.277 122.820 -0.585 0.000 2.014 168 A HA -0.170 4.243 4.320 0.155 0.000 0.218 168 A C 1.567 179.059 177.584 -0.153 0.000 1.163 168 A CA 1.179 53.050 52.037 -0.277 0.000 0.652 168 A CB -1.501 17.455 19.000 -0.074 0.000 0.808 168 A HN 0.725 nan 8.150 nan 0.000 0.449 169 Y N -3.376 116.917 120.300 -0.013 0.000 2.639 169 Y HA 0.093 4.736 4.550 0.155 0.000 0.297 169 Y C 1.425 177.402 175.900 0.128 0.000 1.151 169 Y CA -0.475 57.668 58.100 0.072 0.000 1.335 169 Y CB -1.041 37.466 38.460 0.079 0.000 0.994 169 Y HN 0.147 nan 8.280 nan 0.000 0.548 170 F N 1.814 121.553 119.950 -0.351 0.000 2.202 170 F HA -0.222 4.398 4.527 0.155 0.000 0.301 170 F C 2.722 178.518 175.800 -0.007 0.000 1.082 170 F CA 1.019 58.799 58.000 -0.368 0.000 1.313 170 F CB -1.093 37.243 39.000 -1.108 0.000 1.024 170 F HN 0.313 nan 8.300 nan 0.000 0.495 171 S N 0.258 116.179 115.700 0.368 0.000 2.374 171 S HA -0.286 4.277 4.470 0.155 0.000 0.227 171 S C 1.758 176.501 174.600 0.238 0.000 1.037 171 S CA 1.759 60.237 58.200 0.463 0.000 1.024 171 S CB -1.156 62.296 63.200 0.420 0.000 0.861 171 S HN 0.456 nan 8.310 nan 0.000 0.456 172 N N 1.597 120.409 118.700 0.188 0.000 2.120 172 N HA 0.054 4.887 4.740 0.155 0.000 0.188 172 N C 0.044 175.600 175.510 0.077 0.000 1.024 172 N CA 0.686 53.808 53.050 0.119 0.000 0.852 172 N CB -0.513 38.040 38.487 0.110 0.000 1.003 172 N HN 0.220 nan 8.380 nan 0.000 0.424 173 L N 1.557 122.820 121.223 0.066 0.000 2.544 173 L HA 0.029 4.462 4.340 0.155 0.000 0.240 173 L C 1.650 178.508 176.870 -0.021 0.000 1.421 173 L CA 0.792 55.615 54.840 -0.028 0.000 1.206 173 L CB -1.563 40.408 42.059 -0.146 0.000 1.463 173 L HN 0.169 nan 8.230 nan 0.000 0.437 174 T N -0.924 113.638 114.554 0.013 0.000 2.977 174 T HA -0.135 4.308 4.350 0.155 0.000 0.271 174 T C 1.439 176.141 174.700 0.004 0.000 1.105 174 T CA 1.963 64.080 62.100 0.028 0.000 1.116 174 T CB -0.106 68.779 68.868 0.028 0.000 0.878 174 T HN 0.651 nan 8.240 nan 0.000 0.509 175 N N -0.362 118.323 118.700 -0.025 0.000 2.227 175 N HA 0.218 5.051 4.740 0.155 0.000 0.196 175 N C -0.221 175.259 175.510 -0.050 0.000 1.142 175 N CA -0.348 52.682 53.050 -0.033 0.000 0.887 175 N CB 0.401 38.866 38.487 -0.036 0.000 1.022 175 N HN 0.268 nan 8.380 nan 0.000 0.500 176 L N 2.282 123.456 121.223 -0.082 0.000 2.456 176 L HA 0.096 4.529 4.340 0.155 0.000 0.277 176 L C 0.723 177.547 176.870 -0.077 0.000 1.124 176 L CA 0.156 54.926 54.840 -0.117 0.000 0.880 176 L CB 0.808 42.725 42.059 -0.237 0.000 1.192 176 L HN -0.020 nan 8.230 nan 0.000 0.463 177 V N 1.459 121.356 119.914 -0.029 0.000 3.604 177 V HA 0.325 4.538 4.120 0.155 0.000 0.277 177 V C 0.528 176.663 176.094 0.068 0.000 1.399 177 V CA -0.035 62.273 62.300 0.014 0.000 1.034 177 V CB -0.662 31.162 31.823 0.001 0.000 0.824 177 V HN 0.878 nan 8.190 nan 0.000 0.439 178 H N 0.391 119.440 119.070 -0.035 0.000 2.529 178 H HA 0.751 5.401 4.556 0.156 0.000 0.348 178 H C -1.924 173.398 175.328 -0.011 0.000 1.079 178 H CA -0.351 55.690 56.048 -0.011 0.000 1.198 178 H CB 2.413 32.163 29.762 -0.020 0.000 1.521 178 H HN 0.148 nan 8.280 nan 0.000 0.514 179 V N 5.485 125.131 119.914 -0.447 0.000 2.488 179 V HA 0.067 4.280 4.120 0.155 0.000 0.293 179 V C -0.556 175.353 176.094 -0.310 0.000 1.027 179 V CA -0.813 61.352 62.300 -0.225 0.000 0.862 179 V CB 1.642 33.454 31.823 -0.018 0.000 1.008 179 V HN 0.762 nan 8.190 nan 0.000 0.428 180 D N 4.770 125.084 120.400 -0.143 0.000 2.233 180 D HA 0.601 5.334 4.640 0.155 0.000 0.240 180 D C -0.380 175.913 176.300 -0.013 0.000 1.074 180 D CA -0.267 53.709 54.000 -0.041 0.000 0.838 180 D CB 1.794 42.675 40.800 0.135 0.000 1.124 180 D HN 0.314 nan 8.370 nan 0.000 0.475 181 L N 2.655 123.867 121.223 -0.017 0.000 3.186 181 L HA 0.319 4.752 4.340 0.155 0.000 0.292 181 L C 0.309 177.169 176.870 -0.017 0.000 1.303 181 L CA -0.449 54.380 54.840 -0.019 0.000 0.940 181 L CB 0.460 42.505 42.059 -0.023 0.000 1.358 181 L HN 0.192 nan 8.230 nan 0.000 0.581 182 S N -0.800 114.904 115.700 0.006 0.000 2.589 182 S HA 0.150 4.713 4.470 0.155 0.000 0.265 182 S C 0.379 175.005 174.600 0.043 0.000 1.342 182 S CA -0.043 58.172 58.200 0.025 0.000 1.005 182 S CB 0.086 63.312 63.200 0.042 0.000 0.909 182 S HN 0.440 nan 8.310 nan 0.000 0.555 183 Y N 0.645 120.836 120.300 -0.183 0.000 3.396 183 Y HA -0.283 4.361 4.550 0.156 0.000 0.214 183 Y C 0.286 175.954 175.900 -0.386 0.000 1.203 183 Y CA 0.471 58.386 58.100 -0.308 0.000 1.401 183 Y CB -1.677 36.562 38.460 -0.369 0.000 1.409 183 Y HN 0.608 nan 8.280 nan 0.000 0.594 184 N N -1.005 117.523 118.700 -0.287 0.000 2.563 184 N HA 0.347 5.180 4.740 0.155 0.000 0.288 184 N C -1.032 174.163 175.510 -0.524 0.000 1.246 184 N CA -0.619 52.191 53.050 -0.400 0.000 0.946 184 N CB 0.781 39.169 38.487 -0.166 0.000 1.213 184 N HN 0.032 nan 8.380 nan 0.000 0.578 185 Y N 1.074 121.263 120.300 -0.185 0.000 2.595 185 Y HA 0.463 5.106 4.550 0.155 0.000 0.336 185 Y C -0.101 175.703 175.900 -0.160 0.000 0.996 185 Y CA -0.289 57.682 58.100 -0.214 0.000 1.260 185 Y CB 0.237 38.466 38.460 -0.385 0.000 1.108 185 Y HN 0.121 nan 8.280 nan 0.000 0.509 186 I N 3.135 123.721 120.570 0.026 0.000 2.439 186 I HA 0.235 4.498 4.170 0.155 0.000 0.285 186 I C 0.212 176.378 176.117 0.082 0.000 1.021 186 I CA -0.361 60.974 61.300 0.058 0.000 1.091 186 I CB 2.128 40.145 38.000 0.029 0.000 1.242 186 I HN 0.617 nan 8.210 nan 0.000 0.439 187 Q N 3.148 123.021 119.800 0.123 0.000 2.317 187 Q HA 0.160 4.593 4.340 0.155 0.000 0.220 187 Q C -0.306 175.795 176.000 0.167 0.000 0.873 187 Q CA 0.347 56.235 55.803 0.143 0.000 0.936 187 Q CB 1.152 29.983 28.738 0.154 0.000 1.105 187 Q HN 0.758 nan 8.270 nan 0.000 0.520 188 T N -0.799 113.840 114.554 0.142 0.000 3.143 188 T HA 0.569 5.012 4.350 0.155 0.000 0.312 188 T C -0.492 174.242 174.700 0.056 0.000 0.986 188 T CA -0.567 61.616 62.100 0.138 0.000 1.024 188 T CB 1.135 70.121 68.868 0.196 0.000 1.030 188 T HN -0.006 nan 8.240 nan 0.000 0.448 189 I N 3.737 124.307 120.570 -0.000 0.000 2.304 189 I HA 0.456 4.719 4.170 0.155 0.000 0.291 189 I C 0.772 176.800 176.117 -0.148 0.000 1.018 189 I CA -0.465 60.791 61.300 -0.073 0.000 1.260 189 I CB 1.292 39.259 38.000 -0.055 0.000 1.390 189 I HN 0.840 nan 8.210 nan 0.000 0.475 190 T N 2.004 116.482 114.554 -0.126 0.000 2.885 190 T HA 0.294 4.737 4.350 0.155 0.000 0.285 190 T C 1.277 175.894 174.700 -0.138 0.000 1.019 190 T CA -0.722 61.314 62.100 -0.107 0.000 1.010 190 T CB 1.894 70.749 68.868 -0.023 0.000 1.022 190 T HN 0.432 nan 8.240 nan 0.000 0.466 191 V N 0.418 120.261 119.914 -0.118 0.000 2.428 191 V HA -0.243 3.970 4.120 0.155 0.000 0.255 191 V C 2.129 178.165 176.094 -0.096 0.000 1.080 191 V CA 2.200 64.431 62.300 -0.114 0.000 1.083 191 V CB -1.160 30.624 31.823 -0.065 0.000 0.665 191 V HN 0.955 nan 8.190 nan 0.000 0.461 192 N N 0.381 119.038 118.700 -0.071 0.000 2.250 192 N HA -0.158 4.674 4.740 0.155 0.000 0.181 192 N C 1.553 177.017 175.510 -0.077 0.000 1.017 192 N CA 1.490 54.505 53.050 -0.058 0.000 0.866 192 N CB -0.263 38.202 38.487 -0.037 0.000 0.985 192 N HN 0.592 nan 8.380 nan 0.000 0.429 193 D N 0.736 121.076 120.400 -0.100 0.000 2.149 193 D HA -0.155 4.578 4.640 0.155 0.000 0.194 193 D C 1.336 177.564 176.300 -0.119 0.000 1.001 193 D CA 1.065 54.995 54.000 -0.116 0.000 0.849 193 D CB 0.025 40.750 40.800 -0.126 0.000 0.939 193 D HN 0.298 nan 8.370 nan 0.000 0.449 194 L N 0.353 121.495 121.223 -0.134 0.000 2.628 194 L HA 0.143 4.576 4.340 0.155 0.000 0.229 194 L C 1.687 178.536 176.870 -0.037 0.000 1.137 194 L CA 0.120 54.901 54.840 -0.098 0.000 0.909 194 L CB -0.199 41.732 42.059 -0.213 0.000 1.137 194 L HN -0.140 nan 8.230 nan 0.000 0.470 195 Q N -0.088 119.694 119.800 -0.030 0.000 2.452 195 Q HA -0.112 4.321 4.340 0.155 0.000 0.214 195 Q C 1.299 177.324 176.000 0.042 0.000 0.966 195 Q CA 0.582 56.377 55.803 -0.013 0.000 0.964 195 Q CB 0.043 28.770 28.738 -0.019 0.000 0.992 195 Q HN 0.609 nan 8.270 nan 0.000 0.517 196 F N -1.347 118.555 119.950 -0.081 0.000 2.637 196 F HA 0.102 4.722 4.527 0.155 0.000 0.284 196 F C 1.040 176.826 175.800 -0.023 0.000 1.105 196 F CA -0.052 57.912 58.000 -0.059 0.000 1.356 196 F CB 0.267 39.208 39.000 -0.098 0.000 1.096 196 F HN 0.022 nan 8.300 nan 0.000 0.616 197 L N 0.959 122.110 121.223 -0.120 0.000 2.376 197 L HA -0.010 4.423 4.340 0.155 0.000 0.219 197 L C 2.276 179.037 176.870 -0.182 0.000 1.133 197 L CA 0.899 55.636 54.840 -0.171 0.000 0.816 197 L CB -1.040 41.032 42.059 0.021 0.000 0.933 197 L HN 0.223 nan 8.230 nan 0.000 0.449 198 R N 0.780 121.194 120.500 -0.143 0.000 2.070 198 R HA -0.157 4.276 4.340 0.155 0.000 0.227 198 R C 1.929 178.145 176.300 -0.139 0.000 1.147 198 R CA 1.233 57.266 56.100 -0.111 0.000 0.924 198 R CB -0.411 29.845 30.300 -0.074 0.000 0.827 198 R HN 0.288 nan 8.270 nan 0.000 0.431 199 E N 0.612 120.716 120.200 -0.160 0.000 2.409 199 E HA -0.036 4.407 4.350 0.155 0.000 0.198 199 E C 0.008 176.490 176.600 -0.197 0.000 1.024 199 E CA 0.586 56.899 56.400 -0.145 0.000 0.861 199 E CB 0.009 29.645 29.700 -0.107 0.000 0.788 199 E HN 0.268 nan 8.360 nan 0.000 0.521 200 N N 0.861 119.376 118.700 -0.308 0.000 2.918 200 N HA 0.088 4.921 4.740 0.155 0.000 0.270 200 N C -2.219 173.162 175.510 -0.216 0.000 1.536 200 N CA -0.894 51.969 53.050 -0.311 0.000 0.877 200 N CB 1.315 39.464 38.487 -0.564 0.000 1.190 200 N HN 0.066 nan 8.380 nan 0.000 0.492 201 P HA -0.166 nan 4.420 nan 0.000 0.221 201 P C 1.371 178.628 177.300 -0.072 0.000 1.150 201 P CA 1.117 64.157 63.100 -0.100 0.000 0.800 201 P CB 0.327 31.974 31.700 -0.090 0.000 0.787 202 Q N 0.450 120.209 119.800 -0.068 0.000 2.541 202 Q HA -0.001 4.432 4.340 0.155 0.000 0.215 202 Q C 0.122 176.106 176.000 -0.026 0.000 0.977 202 Q CA 0.698 56.477 55.803 -0.041 0.000 0.934 202 Q CB -0.979 27.737 28.738 -0.036 0.000 0.988 202 Q HN 0.094 nan 8.270 nan 0.000 0.521 203 V N 3.400 123.292 119.914 -0.036 0.000 2.333 203 V HA 0.142 4.355 4.120 0.155 0.000 0.274 203 V C -0.177 175.942 176.094 0.041 0.000 1.028 203 V CA -0.841 61.461 62.300 0.004 0.000 0.851 203 V CB 0.896 32.721 31.823 0.004 0.000 1.000 203 V HN 0.256 nan 8.190 nan 0.000 0.456 204 N N 5.247 123.975 118.700 0.048 0.000 2.439 204 N HA 0.346 5.179 4.740 0.155 0.000 0.243 204 N C -1.105 174.452 175.510 0.078 0.000 1.088 204 N CA -0.204 52.884 53.050 0.064 0.000 0.940 204 N CB 0.736 39.242 38.487 0.032 0.000 1.180 204 N HN 0.550 nan 8.380 nan 0.000 0.505 205 L N 2.646 123.938 121.223 0.116 0.000 2.381 205 L HA 0.578 5.011 4.340 0.155 0.000 0.274 205 L C -0.667 176.281 176.870 0.130 0.000 0.988 205 L CA -0.342 54.570 54.840 0.121 0.000 0.824 205 L CB 1.696 43.853 42.059 0.164 0.000 1.263 205 L HN 0.390 nan 8.230 nan 0.000 0.410 206 S N 4.689 120.451 115.700 0.104 0.000 2.585 206 S HA 0.839 5.402 4.470 0.155 0.000 0.277 206 S C -0.969 173.598 174.600 -0.055 0.000 1.241 206 S CA -0.403 57.852 58.200 0.092 0.000 1.041 206 S CB 1.402 64.713 63.200 0.186 0.000 0.987 206 S HN 0.549 nan 8.310 nan 0.000 0.512 207 L N 2.572 123.761 121.223 -0.057 0.000 2.526 207 L HA 0.525 4.958 4.340 0.155 0.000 0.263 207 L C -1.839 174.988 176.870 -0.071 0.000 0.943 207 L CA -0.272 54.511 54.840 -0.095 0.000 0.859 207 L CB 2.303 44.374 42.059 0.020 0.000 1.313 207 L HN 0.630 nan 8.230 nan 0.000 0.406 208 D N 4.252 124.592 120.400 -0.101 0.000 2.549 208 D HA 0.579 5.312 4.640 0.155 0.000 0.251 208 D C -1.005 175.284 176.300 -0.018 0.000 1.153 208 D CA -0.272 53.709 54.000 -0.032 0.000 0.861 208 D CB 1.315 42.122 40.800 0.012 0.000 1.207 208 D HN 0.392 nan 8.370 nan 0.000 0.543 209 M N 1.687 121.280 119.600 -0.012 0.000 3.080 209 M HA 0.349 4.922 4.480 0.155 0.000 0.288 209 M C -0.251 176.025 176.300 -0.040 0.000 1.224 209 M CA -0.586 54.703 55.300 -0.018 0.000 0.787 209 M CB 1.038 33.635 32.600 -0.006 0.000 1.368 209 M HN -0.046 nan 8.290 nan 0.000 0.511 210 S N 1.353 117.043 115.700 -0.017 0.000 2.585 210 S HA 0.484 5.047 4.470 0.155 0.000 0.273 210 S C 0.938 175.551 174.600 0.021 0.000 1.339 210 S CA -0.497 57.700 58.200 -0.007 0.000 1.028 210 S CB 0.707 63.951 63.200 0.073 0.000 0.906 210 S HN 0.672 nan 8.310 nan 0.000 0.528 211 L N 0.245 121.479 121.223 0.019 0.000 4.496 211 L HA -0.175 4.258 4.340 0.155 0.000 0.419 211 L C -0.141 176.670 176.870 -0.098 0.000 1.139 211 L CA 0.718 55.570 54.840 0.021 0.000 0.975 211 L CB -2.687 39.477 42.059 0.175 0.000 2.099 211 L HN 0.698 nan 8.230 nan 0.000 0.818 212 N N 2.327 120.958 118.700 -0.115 0.000 2.456 212 N HA 0.343 5.176 4.740 0.155 0.000 0.288 212 N C -1.845 173.604 175.510 -0.102 0.000 1.059 212 N CA -1.089 51.891 53.050 -0.118 0.000 0.946 212 N CB 1.549 39.986 38.487 -0.083 0.000 1.150 212 N HN 0.032 nan 8.380 nan 0.000 0.479 213 P HA 0.207 nan 4.420 nan 0.000 0.220 213 P C 0.103 177.435 177.300 0.053 0.000 1.778 213 P CA -0.108 62.995 63.100 0.004 0.000 0.912 213 P CB -0.394 31.337 31.700 0.051 0.000 1.861 214 I N 1.985 122.572 120.570 0.028 0.000 2.752 214 I HA -0.101 4.162 4.170 0.155 0.000 0.289 214 I C 1.308 177.560 176.117 0.226 0.000 1.197 214 I CA 0.786 62.159 61.300 0.120 0.000 1.432 214 I CB 0.449 38.516 38.000 0.112 0.000 1.359 214 I HN 0.148 nan 8.210 nan 0.000 0.571 215 D N 4.610 125.152 120.400 0.237 0.000 2.448 215 D HA 0.046 4.779 4.640 0.155 0.000 0.256 215 D C -0.196 176.295 176.300 0.318 0.000 1.108 215 D CA -0.010 54.144 54.000 0.257 0.000 0.848 215 D CB 0.334 41.252 40.800 0.197 0.000 1.281 215 D HN 0.241 nan 8.370 nan 0.000 0.509 216 F N 1.469 121.490 119.950 0.118 0.000 2.579 216 F HA 0.512 5.132 4.527 0.155 0.000 0.325 216 F C -1.725 174.137 175.800 0.104 0.000 1.162 216 F CA -1.434 56.623 58.000 0.094 0.000 0.946 216 F CB 1.252 40.292 39.000 0.068 0.000 1.211 216 F HN -0.194 nan 8.300 nan 0.000 0.447 217 I N 5.399 125.668 120.570 -0.502 0.000 2.354 217 I HA 0.302 4.565 4.170 0.155 0.000 0.292 217 I C 0.032 175.620 176.117 -0.882 0.000 0.989 217 I CA -0.846 60.165 61.300 -0.483 0.000 1.188 217 I CB 1.621 39.580 38.000 -0.070 0.000 1.342 217 I HN 0.569 nan 8.210 nan 0.000 0.457 218 Q N 4.112 123.463 119.800 -0.749 0.000 2.361 218 Q HA 0.015 4.448 4.340 0.155 0.000 0.276 218 Q C -0.718 175.153 176.000 -0.216 0.000 1.022 218 Q CA -0.103 55.412 55.803 -0.481 0.000 0.898 218 Q CB 0.674 29.294 28.738 -0.196 0.000 1.246 218 Q HN 0.503 nan 8.270 nan 0.000 0.410 219 D N 2.907 123.255 120.400 -0.087 0.000 2.455 219 D HA -0.081 4.652 4.640 0.155 0.000 0.241 219 D C 0.094 176.390 176.300 -0.006 0.000 1.138 219 D CA 0.928 54.919 54.000 -0.014 0.000 0.877 219 D CB 0.447 41.268 40.800 0.035 0.000 1.187 219 D HN 0.581 nan 8.370 nan 0.000 0.451 220 Q N 0.550 120.360 119.800 0.017 0.000 2.452 220 Q HA -0.377 4.056 4.340 0.155 0.000 0.248 220 Q C 1.079 177.083 176.000 0.008 0.000 0.874 220 Q CA 0.467 56.286 55.803 0.027 0.000 1.208 220 Q CB -0.858 27.892 28.738 0.020 0.000 1.569 220 Q HN 0.667 nan 8.270 nan 0.000 0.579 221 A N 0.152 122.956 122.820 -0.026 0.000 1.842 221 A HA -0.165 4.248 4.320 0.155 0.000 0.217 221 A C 1.029 178.524 177.584 -0.148 0.000 1.206 221 A CA 1.804 53.756 52.037 -0.141 0.000 0.630 221 A CB -0.902 17.942 19.000 -0.260 0.000 0.839 221 A HN 0.423 nan 8.150 nan 0.000 0.447 222 F N 0.243 120.186 119.950 -0.012 0.000 2.772 222 F HA 0.120 4.740 4.527 0.155 0.000 0.302 222 F C 1.016 176.823 175.800 0.013 0.000 1.225 222 F CA 0.398 58.402 58.000 0.005 0.000 1.429 222 F CB -0.415 38.594 39.000 0.016 0.000 1.104 222 F HN 0.253 nan 8.300 nan 0.000 0.550 223 Q N 0.929 120.802 119.800 0.122 0.000 2.307 223 Q HA 0.399 4.832 4.340 0.155 0.000 0.261 223 Q C 0.871 176.899 176.000 0.047 0.000 1.051 223 Q CA 0.622 56.476 55.803 0.085 0.000 0.911 223 Q CB 0.490 29.259 28.738 0.052 0.000 1.227 223 Q HN 0.474 nan 8.270 nan 0.000 0.418 224 G N 3.638 112.467 108.800 0.047 0.000 2.179 224 G HA2 -0.224 3.829 3.960 0.155 0.000 0.220 224 G HA3 -0.224 3.829 3.960 0.155 0.000 0.220 224 G C -0.004 174.880 174.900 -0.027 0.000 0.990 224 G CA 0.025 45.120 45.100 -0.009 0.000 0.646 224 G HN 0.866 nan 8.290 nan 0.000 0.517 225 I N -1.920 118.670 120.570 0.034 0.000 2.460 225 I HA 0.846 5.109 4.170 0.155 0.000 0.298 225 I C -0.260 175.893 176.117 0.059 0.000 0.989 225 I CA -1.257 60.069 61.300 0.044 0.000 1.173 225 I CB 1.560 39.618 38.000 0.096 0.000 1.338 225 I HN -0.106 nan 8.210 nan 0.000 0.456 226 K N 6.691 127.110 120.400 0.032 0.000 2.182 226 K HA 0.711 5.124 4.320 0.155 0.000 0.262 226 K C -1.280 175.387 176.600 0.111 0.000 0.957 226 K CA -0.703 55.623 56.287 0.066 0.000 0.842 226 K CB 2.245 34.755 32.500 0.016 0.000 1.099 226 K HN 0.595 nan 8.250 nan 0.000 0.438 227 L N 1.703 123.007 121.223 0.136 0.000 2.422 227 L HA 0.277 4.709 4.340 0.155 0.000 0.264 227 L C 0.837 177.805 176.870 0.163 0.000 0.984 227 L CA -0.798 54.130 54.840 0.147 0.000 0.819 227 L CB 1.732 43.873 42.059 0.137 0.000 1.330 227 L HN 0.775 nan 8.230 nan 0.000 0.410 228 H N 1.987 121.116 119.070 0.098 0.000 2.261 228 H HA -0.054 4.595 4.556 0.154 0.000 0.301 228 H C 0.092 175.459 175.328 0.066 0.000 1.067 228 H CA 1.883 57.996 56.048 0.109 0.000 1.297 228 H CB 0.532 30.348 29.762 0.090 0.000 1.377 228 H HN 0.682 nan 8.280 nan 0.000 0.492 229 E N -0.183 120.074 120.200 0.095 0.000 2.317 229 E HA 0.457 4.900 4.350 0.155 0.000 0.270 229 E C -1.830 174.786 176.600 0.028 0.000 0.885 229 E CA -1.241 55.157 56.400 -0.003 0.000 0.760 229 E CB 2.293 32.000 29.700 0.012 0.000 1.227 229 E HN 0.208 nan 8.360 nan 0.000 0.434 230 L N 1.569 122.784 121.223 -0.013 0.000 2.438 230 L HA 0.589 5.022 4.340 0.155 0.000 0.270 230 L C -1.528 175.319 176.870 -0.038 0.000 0.972 230 L CA 0.002 54.836 54.840 -0.011 0.000 0.831 230 L CB 2.465 44.514 42.059 -0.016 0.000 1.273 230 L HN 0.743 nan 8.230 nan 0.000 0.405 231 T N 6.417 120.953 114.554 -0.029 0.000 2.786 231 T HA 0.624 5.067 4.350 0.155 0.000 0.283 231 T C -0.348 174.315 174.700 -0.063 0.000 0.992 231 T CA -0.105 61.964 62.100 -0.052 0.000 0.954 231 T CB 0.855 69.709 68.868 -0.025 0.000 0.934 231 T HN 0.494 nan 8.240 nan 0.000 0.440 232 L N 4.124 125.289 121.223 -0.097 0.000 2.433 232 L HA 0.479 4.912 4.340 0.155 0.000 0.256 232 L C 0.114 176.866 176.870 -0.197 0.000 1.063 232 L CA -0.435 54.330 54.840 -0.126 0.000 0.922 232 L CB 0.675 42.703 42.059 -0.052 0.000 1.238 232 L HN 0.341 nan 8.230 nan 0.000 0.466 233 R N 1.326 121.690 120.500 -0.228 0.000 2.534 233 R HA 0.584 5.017 4.340 0.155 0.000 0.301 233 R C 0.430 176.572 176.300 -0.263 0.000 0.961 233 R CA -0.638 55.258 56.100 -0.340 0.000 0.871 233 R CB 2.054 32.014 30.300 -0.565 0.000 1.170 233 R HN 0.590 nan 8.270 nan 0.000 0.446 234 G N 2.706 111.349 108.800 -0.262 0.000 2.359 234 G HA2 -0.275 3.778 3.960 0.155 0.000 0.298 234 G HA3 -0.275 3.778 3.960 0.155 0.000 0.298 234 G C 0.066 174.843 174.900 -0.204 0.000 1.030 234 G CA 0.122 45.146 45.100 -0.127 0.000 1.149 234 G HN 0.789 nan 8.290 nan 0.000 0.512 235 N N -1.049 117.371 118.700 -0.465 0.000 2.397 235 N HA 0.139 4.972 4.740 0.155 0.000 0.190 235 N C 0.225 175.388 175.510 -0.579 0.000 1.099 235 N CA 0.410 53.056 53.050 -0.673 0.000 0.876 235 N CB 0.524 38.308 38.487 -1.171 0.000 1.143 235 N HN 0.461 nan 8.380 nan 0.000 0.468 236 F N 1.086 121.039 119.950 0.005 0.000 2.426 236 F HA 0.375 4.995 4.527 0.155 0.000 0.348 236 F C 1.372 177.186 175.800 0.023 0.000 1.124 236 F CA -0.977 57.034 58.000 0.019 0.000 1.008 236 F CB 1.314 40.324 39.000 0.017 0.000 1.139 236 F HN -0.228 nan 8.300 nan 0.000 0.452 237 N N 0.883 119.712 118.700 0.215 0.000 2.216 237 N HA -0.087 4.746 4.740 0.155 0.000 0.183 237 N C 0.069 175.655 175.510 0.127 0.000 1.017 237 N CA 0.752 53.883 53.050 0.135 0.000 0.861 237 N CB 0.375 38.927 38.487 0.107 0.000 0.986 237 N HN 0.479 nan 8.380 nan 0.000 0.428 238 S N -1.451 114.333 115.700 0.140 0.000 2.536 238 S HA 0.304 4.867 4.470 0.155 0.000 0.287 238 S C 0.918 175.564 174.600 0.078 0.000 1.101 238 S CA -0.509 57.749 58.200 0.097 0.000 0.950 238 S CB 1.231 64.473 63.200 0.069 0.000 1.056 238 S HN 0.266 nan 8.310 nan 0.000 0.481 239 S N 3.994 119.734 115.700 0.067 0.000 2.440 239 S HA -0.161 4.402 4.470 0.155 0.000 0.240 239 S C 1.353 175.935 174.600 -0.029 0.000 1.014 239 S CA 1.213 59.435 58.200 0.038 0.000 0.980 239 S CB -0.534 62.697 63.200 0.050 0.000 0.775 239 S HN 0.760 nan 8.310 nan 0.000 0.499 240 N N 2.077 120.771 118.700 -0.010 0.000 2.173 240 N HA 0.124 4.957 4.740 0.155 0.000 0.184 240 N C 1.846 177.338 175.510 -0.030 0.000 1.025 240 N CA 1.451 54.490 53.050 -0.019 0.000 0.852 240 N CB -0.455 38.034 38.487 0.004 0.000 0.998 240 N HN 0.458 nan 8.380 nan 0.000 0.427 241 I N 1.365 121.933 120.570 -0.002 0.000 2.194 241 I HA -0.293 3.970 4.170 0.155 0.000 0.246 241 I C 2.627 178.660 176.117 -0.140 0.000 1.093 241 I CA 1.164 62.470 61.300 0.010 0.000 1.355 241 I CB -0.280 37.782 38.000 0.103 0.000 1.046 241 I HN 0.124 nan 8.210 nan 0.000 0.413 242 M N 1.062 120.484 119.600 -0.295 0.000 2.074 242 M HA -0.240 4.333 4.480 0.155 0.000 0.259 242 M C 2.498 178.544 176.300 -0.424 0.000 1.079 242 M CA 1.896 56.754 55.300 -0.737 0.000 1.119 242 M CB -0.233 31.999 32.600 -0.614 0.000 1.297 242 M HN 0.006 nan 8.290 nan 0.000 0.416 243 K N -0.814 119.448 120.400 -0.230 0.000 2.049 243 K HA -0.287 4.126 4.320 0.155 0.000 0.219 243 K C 1.930 178.458 176.600 -0.120 0.000 1.056 243 K CA 2.603 58.799 56.287 -0.152 0.000 0.946 243 K CB -0.702 31.735 32.500 -0.105 0.000 0.723 243 K HN 0.484 nan 8.250 nan 0.000 0.453 244 T N -0.078 114.424 114.554 -0.087 0.000 2.684 244 T HA -0.181 4.262 4.350 0.155 0.000 0.267 244 T C 2.057 176.732 174.700 -0.041 0.000 1.036 244 T CA 1.777 63.856 62.100 -0.035 0.000 1.148 244 T CB -0.385 68.490 68.868 0.012 0.000 0.863 244 T HN 0.489 nan 8.240 nan 0.000 0.436 245 C N 0.588 119.836 119.300 -0.086 0.000 2.462 245 C HA 0.135 4.688 4.460 0.155 0.000 0.278 245 C C 2.733 177.677 174.990 -0.077 0.000 1.253 245 C CA 0.403 59.381 59.018 -0.066 0.000 1.713 245 C CB -1.364 26.342 27.740 -0.057 0.000 2.049 245 C HN 0.576 nan 8.230 nan 0.000 0.477 246 L N 0.401 121.528 121.223 -0.160 0.000 2.137 246 L HA -0.300 4.133 4.340 0.155 0.000 0.213 246 L C 2.700 179.533 176.870 -0.061 0.000 1.085 246 L CA 1.582 56.356 54.840 -0.111 0.000 0.760 246 L CB -0.615 41.365 42.059 -0.132 0.000 0.893 246 L HN 0.541 nan 8.230 nan 0.000 0.434 247 Q N -0.446 119.325 119.800 -0.048 0.000 2.084 247 Q HA -0.163 4.270 4.340 0.155 0.000 0.202 247 Q C 1.772 177.774 176.000 0.004 0.000 0.978 247 Q CA 1.428 57.221 55.803 -0.017 0.000 0.844 247 Q CB -0.036 28.697 28.738 -0.008 0.000 0.898 247 Q HN 0.562 nan 8.270 nan 0.000 0.426 248 N N 0.224 118.932 118.700 0.013 0.000 2.550 248 N HA -0.079 4.754 4.740 0.155 0.000 0.186 248 N C 1.073 176.653 175.510 0.116 0.000 1.110 248 N CA 0.447 53.526 53.050 0.048 0.000 0.912 248 N CB 0.140 38.640 38.487 0.022 0.000 0.968 248 N HN 0.161 nan 8.380 nan 0.000 0.448 249 L N 1.690 122.937 121.223 0.040 0.000 2.447 249 L HA -0.017 4.416 4.340 0.155 0.000 0.225 249 L C 1.034 177.910 176.870 0.010 0.000 1.148 249 L CA 0.147 54.940 54.840 -0.079 0.000 0.808 249 L CB -1.142 40.761 42.059 -0.260 0.000 0.928 249 L HN 0.021 nan 8.230 nan 0.000 0.448 250 A N -0.149 122.696 122.820 0.041 0.000 2.616 250 A HA 0.288 4.701 4.320 0.155 0.000 0.234 250 A C 1.528 179.165 177.584 0.090 0.000 1.024 250 A CA 0.767 52.835 52.037 0.051 0.000 0.758 250 A CB -0.724 18.304 19.000 0.047 0.000 0.939 250 A HN 0.891 nan 8.150 nan 0.000 0.510 251 G N 0.072 108.922 108.800 0.083 0.000 2.212 251 G HA2 0.117 4.170 3.960 0.155 0.000 0.255 251 G HA3 0.117 4.170 3.960 0.155 0.000 0.255 251 G C -0.347 174.660 174.900 0.178 0.000 1.062 251 G CA 0.504 45.676 45.100 0.119 0.000 0.815 251 G HN 2.220 nan 8.290 nan 0.000 0.497 252 L N -0.525 120.804 121.223 0.177 0.000 2.408 252 L HA 0.887 5.320 4.340 0.155 0.000 0.268 252 L C -0.741 176.279 176.870 0.250 0.000 0.986 252 L CA -1.781 53.190 54.840 0.218 0.000 0.820 252 L CB 1.539 43.671 42.059 0.123 0.000 1.303 252 L HN 0.133 nan 8.230 nan 0.000 0.411 253 H N 3.850 122.937 119.070 0.029 0.000 2.556 253 H HA 0.666 5.315 4.556 0.155 0.000 0.310 253 H C -0.866 174.474 175.328 0.021 0.000 1.057 253 H CA -0.590 55.467 56.048 0.015 0.000 1.264 253 H CB 1.465 31.235 29.762 0.013 0.000 1.404 253 H HN 0.442 nan 8.280 nan 0.000 0.462 254 V N 3.770 123.737 119.914 0.087 0.000 2.407 254 V HA 0.059 4.272 4.120 0.155 0.000 0.291 254 V C 1.333 177.462 176.094 0.059 0.000 1.018 254 V CA -0.623 61.711 62.300 0.057 0.000 0.842 254 V CB 1.326 33.153 31.823 0.007 0.000 0.996 254 V HN 0.969 nan 8.190 nan 0.000 0.426 255 H N 4.541 123.555 119.070 -0.093 0.000 2.357 255 H HA 0.128 4.777 4.556 0.155 0.000 0.301 255 H C 1.190 176.401 175.328 -0.196 0.000 1.082 255 H CA 1.041 56.992 56.048 -0.162 0.000 1.342 255 H CB 0.478 30.073 29.762 -0.278 0.000 1.389 255 H HN 0.469 nan 8.280 nan 0.000 0.511 256 R N 1.035 121.430 120.500 -0.175 0.000 2.500 256 R HA 0.219 4.651 4.340 0.155 0.000 0.299 256 R C -2.045 174.179 176.300 -0.127 0.000 1.038 256 R CA -0.771 55.210 56.100 -0.199 0.000 0.903 256 R CB 1.164 31.266 30.300 -0.330 0.000 1.177 256 R HN 0.183 nan 8.270 nan 0.000 0.455 257 L N 6.401 127.571 121.223 -0.089 0.000 2.276 257 L HA 0.505 4.938 4.340 0.155 0.000 0.286 257 L C -1.314 175.434 176.870 -0.205 0.000 1.024 257 L CA -0.346 54.438 54.840 -0.094 0.000 0.826 257 L CB 1.124 43.173 42.059 -0.016 0.000 1.211 257 L HN 0.532 nan 8.230 nan 0.000 0.422 258 I N 5.892 126.339 120.570 -0.204 0.000 2.428 258 I HA 0.560 4.823 4.170 0.155 0.000 0.296 258 I C -0.433 175.524 176.117 -0.266 0.000 0.985 258 I CA -0.266 60.870 61.300 -0.274 0.000 1.260 258 I CB 1.561 39.441 38.000 -0.201 0.000 1.389 258 I HN 0.539 nan 8.210 nan 0.000 0.484 259 L N 4.506 125.519 121.223 -0.349 0.000 2.469 259 L HA 1.001 5.434 4.340 0.155 0.000 0.256 259 L C -0.202 176.484 176.870 -0.306 0.000 1.006 259 L CA 0.160 54.837 54.840 -0.272 0.000 0.832 259 L CB 1.736 43.676 42.059 -0.198 0.000 1.421 259 L HN 0.827 nan 8.230 nan 0.000 0.410 260 G N 2.176 110.797 108.800 -0.299 0.000 2.302 260 G HA2 0.345 4.398 3.960 0.155 0.000 0.276 260 G HA3 0.345 4.398 3.960 0.155 0.000 0.276 260 G C -1.573 173.096 174.900 -0.385 0.000 1.316 260 G CA 0.002 44.882 45.100 -0.367 0.000 0.988 260 G HN 1.085 nan 8.290 nan 0.000 0.479 261 E N -1.523 118.444 120.200 -0.388 0.000 2.442 261 E HA 0.761 5.204 4.350 0.155 0.000 0.271 261 E C -1.373 175.053 176.600 -0.290 0.000 1.002 261 E CA -1.168 55.010 56.400 -0.372 0.000 0.864 261 E CB 1.555 31.139 29.700 -0.194 0.000 1.573 261 E HN 0.398 nan 8.360 nan 0.000 0.456 262 F N 0.239 120.254 119.950 0.109 0.000 2.450 262 F HA 0.394 5.014 4.527 0.154 0.000 0.328 262 F C 1.450 177.355 175.800 0.175 0.000 1.068 262 F CA -0.880 57.189 58.000 0.116 0.000 1.007 262 F CB 1.568 40.578 39.000 0.016 0.000 1.251 262 F HN 0.365 nan 8.300 nan 0.000 0.492 263 K N 0.580 121.076 120.400 0.160 0.000 2.504 263 K HA -0.001 4.412 4.320 0.155 0.000 0.199 263 K C -0.450 176.145 176.600 -0.007 0.000 1.028 263 K CA 0.410 56.598 56.287 -0.166 0.000 1.164 263 K CB -0.154 32.032 32.500 -0.524 0.000 0.877 263 K HN 0.661 nan 8.250 nan 0.000 0.508 264 D N -1.265 119.188 120.400 0.088 0.000 2.640 264 D HA 0.081 4.814 4.640 0.155 0.000 0.282 264 D C -0.125 176.221 176.300 0.076 0.000 1.558 264 D CA -0.256 53.771 54.000 0.045 0.000 0.820 264 D CB 0.225 41.012 40.800 -0.022 0.000 1.243 264 D HN -0.096 nan 8.370 nan 0.000 0.456 265 E N 0.774 121.058 120.200 0.139 0.000 2.450 265 E HA 0.304 4.747 4.350 0.155 0.000 0.272 265 E C -0.131 176.542 176.600 0.120 0.000 0.967 265 E CA -0.868 55.615 56.400 0.137 0.000 0.818 265 E CB 2.030 31.853 29.700 0.205 0.000 1.401 265 E HN 0.152 nan 8.360 nan 0.000 0.450 266 R N 1.552 122.108 120.500 0.093 0.000 3.252 266 R HA -0.019 4.414 4.340 0.155 0.000 0.333 266 R C -0.209 176.134 176.300 0.072 0.000 0.722 266 R CA 0.604 56.746 56.100 0.070 0.000 1.078 266 R CB -0.858 29.470 30.300 0.047 0.000 0.898 266 R HN 0.284 nan 8.270 nan 0.000 0.379 267 N N 2.689 121.435 118.700 0.077 0.000 2.458 267 N HA 0.301 5.134 4.740 0.155 0.000 0.271 267 N C -0.254 175.289 175.510 0.056 0.000 1.210 267 N CA -0.789 52.301 53.050 0.067 0.000 0.978 267 N CB 0.981 39.523 38.487 0.091 0.000 1.206 267 N HN 0.315 nan 8.380 nan 0.000 0.536 268 L N 1.688 122.931 121.223 0.034 0.000 2.375 268 L HA 0.146 4.579 4.340 0.155 0.000 0.271 268 L C 1.544 178.450 176.870 0.060 0.000 1.107 268 L CA -0.432 54.441 54.840 0.056 0.000 0.806 268 L CB 1.046 43.137 42.059 0.053 0.000 1.146 268 L HN 0.620 nan 8.230 nan 0.000 0.447 269 E N 2.896 123.137 120.200 0.069 0.000 2.021 269 E HA 0.012 4.455 4.350 0.155 0.000 0.189 269 E C 0.242 176.882 176.600 0.067 0.000 0.980 269 E CA 1.042 57.479 56.400 0.061 0.000 0.803 269 E CB 0.209 29.941 29.700 0.053 0.000 0.766 269 E HN 0.566 nan 8.360 nan 0.000 0.449 270 I N -2.485 118.132 120.570 0.077 0.000 2.499 270 I HA 0.434 4.697 4.170 0.155 0.000 0.288 270 I C -0.989 175.216 176.117 0.146 0.000 1.048 270 I CA -1.041 60.310 61.300 0.084 0.000 1.062 270 I CB 1.716 39.738 38.000 0.037 0.000 1.238 270 I HN -0.217 nan 8.210 nan 0.000 0.426 271 F N 5.667 125.594 119.950 -0.038 0.000 2.293 271 F HA 0.439 5.059 4.527 0.155 0.000 0.370 271 F C 0.013 175.755 175.800 -0.096 0.000 1.090 271 F CA -0.379 57.587 58.000 -0.057 0.000 1.133 271 F CB 0.652 39.631 39.000 -0.035 0.000 1.360 271 F HN 0.515 nan 8.300 nan 0.000 0.489 272 E N 7.147 127.114 120.200 -0.390 0.000 2.174 272 E HA 0.196 4.639 4.350 0.155 0.000 0.282 272 E C -1.829 174.373 176.600 -0.664 0.000 0.992 272 E CA -2.160 53.992 56.400 -0.414 0.000 0.803 272 E CB 1.277 30.838 29.700 -0.232 0.000 1.090 272 E HN 0.403 nan 8.360 nan 0.000 0.396 273 P HA -0.278 nan 4.420 nan 0.000 0.219 273 P C 1.386 178.024 177.300 -1.103 0.000 1.149 273 P CA 1.759 64.399 63.100 -0.766 0.000 0.835 273 P CB 0.172 31.651 31.700 -0.368 0.000 0.778 274 S N -0.998 114.324 115.700 -0.630 0.000 2.383 274 S HA -0.202 4.361 4.470 0.155 0.000 0.229 274 S C 1.896 176.219 174.600 -0.462 0.000 1.030 274 S CA 1.308 59.247 58.200 -0.436 0.000 1.002 274 S CB -1.714 61.385 63.200 -0.169 0.000 0.829 274 S HN 0.111 nan 8.310 nan 0.000 0.467 275 I N 1.111 121.405 120.570 -0.461 0.000 2.145 275 I HA -0.252 4.011 4.170 0.155 0.000 0.244 275 I C 2.599 178.542 176.117 -0.289 0.000 1.075 275 I CA 1.752 62.864 61.300 -0.313 0.000 1.332 275 I CB -0.518 37.336 38.000 -0.243 0.000 1.033 275 I HN 0.258 nan 8.210 nan 0.000 0.410 276 M N 0.096 119.424 119.600 -0.454 0.000 2.337 276 M HA -0.121 4.452 4.480 0.155 0.000 0.261 276 M C 0.757 176.982 176.300 -0.126 0.000 1.067 276 M CA 1.035 56.144 55.300 -0.319 0.000 1.074 276 M CB -0.692 31.619 32.600 -0.481 0.000 1.395 276 M HN 0.034 nan 8.290 nan 0.000 0.431 277 E N 0.127 120.280 120.200 -0.079 0.000 2.608 277 E HA 0.108 4.551 4.350 0.155 0.000 0.259 277 E C 1.322 177.938 176.600 0.027 0.000 0.951 277 E CA 1.265 57.728 56.400 0.104 0.000 0.945 277 E CB -0.024 29.756 29.700 0.133 0.000 0.916 277 E HN 0.526 nan 8.360 nan 0.000 0.477 278 G N 2.956 111.782 108.800 0.044 0.000 2.349 278 G HA2 -0.293 3.760 3.960 0.155 0.000 0.213 278 G HA3 -0.293 3.760 3.960 0.155 0.000 0.213 278 G C 0.798 175.697 174.900 -0.002 0.000 1.044 278 G CA 0.077 45.186 45.100 0.015 0.000 0.633 278 G HN 0.437 nan 8.290 nan 0.000 0.506 279 L N 2.047 123.262 121.223 -0.013 0.000 2.549 279 L HA 0.100 4.533 4.340 0.155 0.000 0.230 279 L C 2.539 179.388 176.870 -0.034 0.000 1.162 279 L CA 1.604 56.426 54.840 -0.030 0.000 0.834 279 L CB -0.836 41.197 42.059 -0.043 0.000 0.947 279 L HN 0.645 nan 8.230 nan 0.000 0.452 280 c N -1.838 116.759 118.600 -0.006 0.000 2.576 280 c HA 0.092 4.755 4.570 0.155 0.000 0.267 280 c C 1.821 175.909 174.090 -0.002 0.000 1.364 280 c CA -0.625 55.705 56.329 0.002 0.000 1.723 280 c CB -0.913 41.630 42.510 0.056 0.000 1.778 280 c HN 0.494 nan 8.230 nan 0.000 0.572 281 D N 1.326 121.722 120.400 -0.006 0.000 2.725 281 D HA 0.035 4.768 4.640 0.155 0.000 0.269 281 D C 1.066 177.352 176.300 -0.024 0.000 1.018 281 D CA 0.676 54.673 54.000 -0.006 0.000 0.956 281 D CB -0.053 40.753 40.800 0.011 0.000 1.141 281 D HN 0.423 nan 8.370 nan 0.000 0.478 282 V N 2.458 122.355 119.914 -0.029 0.000 2.557 282 V HA 0.117 4.330 4.120 0.155 0.000 0.301 282 V C 0.132 176.177 176.094 -0.083 0.000 1.026 282 V CA -0.242 62.032 62.300 -0.043 0.000 1.137 282 V CB -0.095 31.697 31.823 -0.053 0.000 0.917 282 V HN 0.085 nan 8.190 nan 0.000 0.484 283 T N 5.665 120.132 114.554 -0.145 0.000 2.723 283 T HA 0.697 5.140 4.350 0.155 0.000 0.297 283 T C -0.228 174.381 174.700 -0.152 0.000 0.925 283 T CA -0.274 61.691 62.100 -0.224 0.000 1.030 283 T CB 0.104 68.672 68.868 -0.500 0.000 0.905 283 T HN 0.644 nan 8.240 nan 0.000 0.502 284 I N 2.402 122.911 120.570 -0.102 0.000 2.530 284 I HA 0.349 4.612 4.170 0.155 0.000 0.297 284 I C 0.332 176.425 176.117 -0.039 0.000 1.011 284 I CA -0.866 60.405 61.300 -0.047 0.000 1.107 284 I CB 2.094 40.086 38.000 -0.013 0.000 1.285 284 I HN 0.563 nan 8.210 nan 0.000 0.436 285 D N 2.607 123.010 120.400 0.005 0.000 2.490 285 D HA 0.056 4.789 4.640 0.155 0.000 0.244 285 D C 0.267 176.582 176.300 0.024 0.000 0.979 285 D CA 0.859 54.876 54.000 0.028 0.000 0.924 285 D CB 0.752 41.613 40.800 0.101 0.000 1.075 285 D HN 0.526 nan 8.370 nan 0.000 0.488 286 E N -0.324 119.892 120.200 0.026 0.000 2.224 286 E HA 0.306 4.749 4.350 0.155 0.000 0.265 286 E C -1.719 174.887 176.600 0.010 0.000 0.878 286 E CA -0.523 55.859 56.400 -0.030 0.000 0.759 286 E CB 1.851 31.489 29.700 -0.103 0.000 1.164 286 E HN -0.157 nan 8.360 nan 0.000 0.414 287 F N 4.752 124.601 119.950 -0.169 0.000 2.460 287 F HA 0.453 5.073 4.527 0.155 0.000 0.341 287 F C -0.997 174.714 175.800 -0.150 0.000 1.130 287 F CA -0.691 57.222 58.000 -0.145 0.000 0.962 287 F CB 0.967 39.881 39.000 -0.143 0.000 1.171 287 F HN 0.333 nan 8.300 nan 0.000 0.436 288 R N 7.458 127.587 120.500 -0.618 0.000 2.343 288 R HA 0.554 4.987 4.340 0.155 0.000 0.320 288 R C -1.763 174.142 176.300 -0.659 0.000 0.956 288 R CA -0.670 55.133 56.100 -0.495 0.000 0.836 288 R CB 1.267 31.384 30.300 -0.305 0.000 1.151 288 R HN 0.861 nan 8.270 nan 0.000 0.450 289 L N 3.952 124.893 121.223 -0.470 0.000 2.322 289 L HA 0.496 4.929 4.340 0.155 0.000 0.279 289 L C 0.237 176.961 176.870 -0.242 0.000 1.036 289 L CA -0.243 54.391 54.840 -0.343 0.000 0.807 289 L CB 1.978 43.965 42.059 -0.121 0.000 1.226 289 L HN 0.879 nan 8.230 nan 0.000 0.433 290 T N -0.373 114.038 114.554 -0.239 0.000 2.678 290 T HA 0.267 4.710 4.350 0.155 0.000 0.260 290 T C -0.492 174.107 174.700 -0.169 0.000 0.932 290 T CA -0.550 61.441 62.100 -0.183 0.000 1.043 290 T CB 0.598 69.355 68.868 -0.186 0.000 1.413 290 T HN 0.349 nan 8.240 nan 0.000 0.568 291 Y N 2.196 122.376 120.300 -0.199 0.000 2.632 291 Y HA 0.388 5.030 4.550 0.155 0.000 0.329 291 Y C -0.253 175.544 175.900 -0.172 0.000 1.174 291 Y CA 0.040 58.043 58.100 -0.162 0.000 1.469 291 Y CB -0.218 38.184 38.460 -0.097 0.000 1.242 291 Y HN 0.742 nan 8.280 nan 0.000 0.540 292 T N 5.802 119.809 114.554 -0.912 0.000 2.888 292 T HA 0.177 4.620 4.350 0.155 0.000 0.284 292 T C 0.918 174.981 174.700 -1.063 0.000 1.017 292 T CA -0.761 60.847 62.100 -0.820 0.000 1.022 292 T CB 1.573 70.227 68.868 -0.357 0.000 1.013 292 T HN 0.874 nan 8.240 nan 0.000 0.465 293 N N 0.575 118.895 118.700 -0.634 0.000 2.171 293 N HA -0.108 4.725 4.740 0.155 0.000 0.184 293 N C -0.117 175.349 175.510 -0.074 0.000 1.021 293 N CA 0.796 53.683 53.050 -0.272 0.000 0.854 293 N CB 0.246 38.700 38.487 -0.054 0.000 0.994 293 N HN 0.710 nan 8.380 nan 0.000 0.426 294 D N -0.670 119.723 120.400 -0.011 0.000 2.549 294 D HA 0.233 4.966 4.640 0.155 0.000 0.251 294 D C -1.759 174.671 176.300 0.217 0.000 1.153 294 D CA -0.604 53.456 54.000 0.100 0.000 0.861 294 D CB 0.734 41.593 40.800 0.098 0.000 1.207 294 D HN 0.026 nan 8.370 nan 0.000 0.543 295 F N 2.615 122.598 119.950 0.055 0.000 2.551 295 F HA 0.643 5.263 4.527 0.156 0.000 0.316 295 F C -1.054 174.797 175.800 0.084 0.000 1.089 295 F CA -0.516 57.544 58.000 0.099 0.000 0.915 295 F CB 2.046 41.082 39.000 0.059 0.000 1.186 295 F HN 0.270 nan 8.300 nan 0.000 0.456 296 S N 3.720 118.968 115.700 -0.753 0.000 2.473 296 S HA 0.206 4.769 4.470 0.155 0.000 0.307 296 S C -0.247 173.854 174.600 -0.831 0.000 1.094 296 S CA -0.718 57.162 58.200 -0.533 0.000 1.070 296 S CB 1.536 64.529 63.200 -0.346 0.000 1.019 296 S HN 0.608 nan 8.310 nan 0.000 0.480 297 D N 1.521 121.778 120.400 -0.240 0.000 2.403 297 D HA -0.084 4.649 4.640 0.155 0.000 0.227 297 D C 1.202 177.492 176.300 -0.017 0.000 0.995 297 D CA 0.872 54.892 54.000 0.032 0.000 0.928 297 D CB 0.054 40.963 40.800 0.182 0.000 0.887 297 D HN 0.654 nan 8.370 nan 0.000 0.529 298 D N -0.269 120.042 120.400 -0.149 0.000 2.431 298 D HA -0.060 4.673 4.640 0.155 0.000 0.227 298 D C 2.078 178.363 176.300 -0.024 0.000 1.030 298 D CA -0.286 53.687 54.000 -0.045 0.000 0.897 298 D CB -0.227 40.545 40.800 -0.046 0.000 1.058 298 D HN 0.144 nan 8.370 nan 0.000 0.500 299 I N 3.113 123.570 120.570 -0.188 0.000 2.300 299 I HA -0.257 4.006 4.170 0.155 0.000 0.252 299 I C 2.133 178.308 176.117 0.096 0.000 1.119 299 I CA 1.324 62.537 61.300 -0.144 0.000 1.384 299 I CB -0.293 37.513 38.000 -0.323 0.000 1.062 299 I HN -0.020 nan 8.210 nan 0.000 0.426 300 V N -0.507 119.526 119.914 0.199 0.000 2.667 300 V HA -0.167 4.046 4.120 0.155 0.000 0.252 300 V C 2.518 178.868 176.094 0.426 0.000 1.065 300 V CA 1.839 64.359 62.300 0.365 0.000 1.083 300 V CB -1.227 30.869 31.823 0.455 0.000 0.692 300 V HN 0.464 nan 8.190 nan 0.000 0.468 301 K N -0.234 120.365 120.400 0.332 0.000 2.366 301 K HA -0.049 4.364 4.320 0.155 0.000 0.198 301 K C 0.796 177.651 176.600 0.425 0.000 1.044 301 K CA -0.155 56.340 56.287 0.347 0.000 0.973 301 K CB -0.206 32.378 32.500 0.141 0.000 0.767 301 K HN 0.416 nan 8.250 nan 0.000 0.475 302 F N 3.479 123.514 119.950 0.141 0.000 2.642 302 F HA -0.167 4.453 4.527 0.154 0.000 0.371 302 F C 1.828 177.643 175.800 0.025 0.000 1.120 302 F CA 0.523 58.535 58.000 0.019 0.000 1.331 302 F CB 0.636 39.550 39.000 -0.144 0.000 1.044 302 F HN 0.199 nan 8.300 nan 0.000 0.594 303 H N 2.573 121.279 119.070 -0.607 0.000 2.521 303 H HA -0.087 4.562 4.556 0.155 0.000 0.286 303 H C 1.691 176.849 175.328 -0.284 0.000 1.034 303 H CA 1.309 57.164 56.048 -0.321 0.000 1.278 303 H CB -0.976 28.572 29.762 -0.357 0.000 1.386 303 H HN 0.589 nan 8.280 nan 0.000 0.567 304 c N 1.241 119.445 118.600 -0.661 0.000 2.539 304 c HA 0.162 4.825 4.570 0.155 0.000 0.271 304 c C 2.370 176.335 174.090 -0.207 0.000 1.412 304 c CA -0.034 56.148 56.329 -0.245 0.000 1.729 304 c CB -1.085 41.365 42.510 -0.099 0.000 1.739 304 c HN 0.512 nan 8.230 nan 0.000 0.570 305 L N 0.267 121.344 121.223 -0.244 0.000 2.667 305 L HA 0.167 4.600 4.340 0.155 0.000 0.232 305 L C 2.447 179.044 176.870 -0.455 0.000 1.138 305 L CA 0.159 54.820 54.840 -0.297 0.000 0.921 305 L CB -0.418 41.522 42.059 -0.198 0.000 1.180 305 L HN 0.270 nan 8.230 nan 0.000 0.487 306 A N 0.950 123.404 122.820 -0.610 0.000 1.859 306 A HA -0.187 4.226 4.320 0.155 0.000 0.217 306 A C 1.213 178.516 177.584 -0.469 0.000 1.198 306 A CA 1.720 53.240 52.037 -0.862 0.000 0.629 306 A CB -0.340 18.514 19.000 -0.244 0.000 0.830 306 A HN 0.439 nan 8.150 nan 0.000 0.446 307 N N -0.028 118.548 118.700 -0.207 0.000 3.131 307 N HA 0.363 5.196 4.740 0.155 0.000 0.312 307 N C -1.027 174.450 175.510 -0.056 0.000 1.433 307 N CA 0.006 52.993 53.050 -0.104 0.000 1.141 307 N CB 0.815 39.251 38.487 -0.085 0.000 1.431 307 N HN 0.170 nan 8.380 nan 0.000 0.523 308 V N 0.319 120.245 119.914 0.020 0.000 2.612 308 V HA 0.247 4.460 4.120 0.155 0.000 0.301 308 V C 1.363 177.477 176.094 0.033 0.000 1.046 308 V CA -0.520 61.767 62.300 -0.021 0.000 0.946 308 V CB 1.817 33.559 31.823 -0.134 0.000 1.003 308 V HN 0.362 nan 8.190 nan 0.000 0.459 309 S N 1.523 117.209 115.700 -0.023 0.000 2.486 309 S HA 0.394 4.957 4.470 0.155 0.000 0.220 309 S C 0.669 175.239 174.600 -0.050 0.000 1.011 309 S CA 0.409 58.612 58.200 0.004 0.000 0.921 309 S CB 0.302 63.505 63.200 0.004 0.000 0.785 309 S HN 1.176 nan 8.310 nan 0.000 0.517 310 A N 1.346 124.083 122.820 -0.139 0.000 2.414 310 A HA 0.783 5.196 4.320 0.155 0.000 0.286 310 A C -0.989 176.418 177.584 -0.294 0.000 1.073 310 A CA -0.487 51.441 52.037 -0.180 0.000 0.727 310 A CB 1.244 20.186 19.000 -0.098 0.000 1.215 310 A HN 0.257 nan 8.150 nan 0.000 0.430 311 M N 2.482 121.820 119.600 -0.436 0.000 2.125 311 M HA 0.593 5.165 4.480 0.155 0.000 0.321 311 M C -0.962 175.175 176.300 -0.272 0.000 0.983 311 M CA -0.110 54.890 55.300 -0.500 0.000 0.934 311 M CB 1.364 33.252 32.600 -1.187 0.000 1.542 311 M HN 0.429 nan 8.290 nan 0.000 0.424 312 S N 5.834 121.432 115.700 -0.170 0.000 2.519 312 S HA 0.739 5.302 4.470 0.155 0.000 0.309 312 S C -1.108 173.417 174.600 -0.126 0.000 1.100 312 S CA -0.761 57.355 58.200 -0.140 0.000 1.059 312 S CB 0.915 64.025 63.200 -0.149 0.000 1.008 312 S HN 0.689 nan 8.310 nan 0.000 0.478 313 L N 2.766 123.932 121.223 -0.096 0.000 2.349 313 L HA 0.782 5.215 4.340 0.155 0.000 0.278 313 L C -0.319 176.491 176.870 -0.101 0.000 0.996 313 L CA -0.733 54.048 54.840 -0.097 0.000 0.825 313 L CB 1.534 43.553 42.059 -0.066 0.000 1.243 313 L HN 0.722 nan 8.230 nan 0.000 0.412 314 A N 1.886 124.635 122.820 -0.118 0.000 2.332 314 A HA 0.677 5.090 4.320 0.155 0.000 0.300 314 A C 0.616 178.150 177.584 -0.083 0.000 1.153 314 A CA 0.073 52.054 52.037 -0.092 0.000 0.764 314 A CB 1.368 20.314 19.000 -0.089 0.000 1.174 314 A HN 1.040 nan 8.150 nan 0.000 0.467 315 G N 1.302 110.064 108.800 -0.063 0.000 2.225 315 G HA2 -0.066 3.987 3.960 0.155 0.000 0.264 315 G HA3 -0.066 3.987 3.960 0.155 0.000 0.264 315 G C -0.009 174.871 174.900 -0.033 0.000 1.060 315 G CA 0.216 45.299 45.100 -0.029 0.000 0.833 315 G HN 1.401 nan 8.290 nan 0.000 0.498 316 V N 0.337 120.172 119.914 -0.132 0.000 2.481 316 V HA 0.438 4.651 4.120 0.155 0.000 0.286 316 V C 1.440 177.379 176.094 -0.258 0.000 1.042 316 V CA 0.381 62.502 62.300 -0.299 0.000 0.928 316 V CB 1.776 33.301 31.823 -0.497 0.000 0.986 316 V HN 0.397 nan 8.190 nan 0.000 0.462 317 S N 3.936 119.466 115.700 -0.283 0.000 2.881 317 S HA 0.134 4.697 4.470 0.155 0.000 0.228 317 S C 0.460 175.045 174.600 -0.024 0.000 0.965 317 S CA 0.011 58.164 58.200 -0.078 0.000 0.998 317 S CB -0.720 62.514 63.200 0.057 0.000 0.795 317 S HN 0.648 nan 8.310 nan 0.000 0.518 318 I N 1.650 122.090 120.570 -0.218 0.000 2.634 318 I HA 0.059 4.322 4.170 0.155 0.000 0.284 318 I C 0.837 177.023 176.117 0.115 0.000 1.124 318 I CA 0.147 61.501 61.300 0.090 0.000 1.417 318 I CB 0.578 38.599 38.000 0.036 0.000 1.396 318 I HN -0.033 nan 8.210 nan 0.000 0.571 319 K N 5.861 126.394 120.400 0.222 0.000 2.462 319 K HA 0.180 4.593 4.320 0.155 0.000 0.201 319 K C -0.990 175.563 176.600 -0.079 0.000 1.268 319 K CA 0.481 56.828 56.287 0.100 0.000 0.933 319 K CB 0.642 33.287 32.500 0.242 0.000 1.162 319 K HN 0.489 nan 8.250 nan 0.000 0.527 320 Y N 0.043 120.396 120.300 0.089 0.000 2.524 320 Y HA 0.552 5.196 4.550 0.156 0.000 0.347 320 Y C -0.774 175.171 175.900 0.075 0.000 1.005 320 Y CA -1.203 56.934 58.100 0.062 0.000 1.025 320 Y CB 2.039 40.531 38.460 0.053 0.000 1.275 320 Y HN -0.187 nan 8.280 nan 0.000 0.460 321 L N 3.838 125.168 121.223 0.177 0.000 2.504 321 L HA 0.497 4.930 4.340 0.155 0.000 0.265 321 L C -0.230 176.694 176.870 0.090 0.000 0.975 321 L CA 0.121 55.042 54.840 0.136 0.000 0.864 321 L CB 0.871 42.999 42.059 0.114 0.000 1.212 321 L HN 0.873 nan 8.230 nan 0.000 0.416 322 E N 1.849 122.098 120.200 0.081 0.000 2.629 322 E HA 0.031 4.474 4.350 0.155 0.000 0.203 322 E C -0.559 176.041 176.600 -0.000 0.000 0.939 322 E CA -0.195 56.228 56.400 0.038 0.000 1.439 322 E CB 0.175 29.901 29.700 0.043 0.000 1.490 322 E HN 0.539 nan 8.360 nan 0.000 0.804 323 D N 2.280 122.682 120.400 0.004 0.000 2.713 323 D HA 0.196 4.929 4.640 0.155 0.000 0.229 323 D C -0.650 175.584 176.300 -0.109 0.000 1.136 323 D CA -0.018 53.954 54.000 -0.046 0.000 1.010 323 D CB 0.339 41.124 40.800 -0.026 0.000 1.084 323 D HN -0.092 nan 8.370 nan 0.000 0.495 324 V N 3.723 123.537 119.914 -0.166 0.000 2.350 324 V HA 0.330 4.543 4.120 0.155 0.000 0.285 324 V C -1.909 173.914 176.094 -0.451 0.000 1.014 324 V CA -1.600 60.498 62.300 -0.337 0.000 0.831 324 V CB 1.320 33.016 31.823 -0.211 0.000 1.000 324 V HN 0.234 nan 8.190 nan 0.000 0.433 325 P HA 0.254 nan 4.420 nan 0.000 0.271 325 P C 0.221 177.264 177.300 -0.428 0.000 1.218 325 P CA -0.339 62.438 63.100 -0.538 0.000 0.780 325 P CB 1.270 32.613 31.700 -0.594 0.000 0.901 326 K N 0.801 121.120 120.400 -0.136 0.000 2.555 326 K HA -0.077 4.336 4.320 0.155 0.000 0.193 326 K C 1.585 178.218 176.600 0.056 0.000 1.032 326 K CA 0.619 56.879 56.287 -0.044 0.000 1.004 326 K CB -0.261 32.238 32.500 -0.003 0.000 0.804 326 K HN 0.634 nan 8.250 nan 0.000 0.496 327 H N -1.012 118.020 119.070 -0.063 0.000 2.592 327 H HA 0.104 4.754 4.556 0.155 0.000 0.265 327 H C 0.183 175.586 175.328 0.126 0.000 0.955 327 H CA -0.539 55.534 56.048 0.041 0.000 1.175 327 H CB -0.501 29.277 29.762 0.025 0.000 1.433 327 H HN 0.006 nan 8.280 nan 0.000 0.537 328 F N 3.185 122.746 119.950 -0.650 0.000 2.571 328 F HA 0.010 4.630 4.527 0.154 0.000 0.390 328 F C 0.902 176.457 175.800 -0.409 0.000 1.043 328 F CA -0.478 57.097 58.000 -0.708 0.000 1.164 328 F CB 0.718 39.054 39.000 -1.106 0.000 1.049 328 F HN -0.059 nan 8.300 nan 0.000 0.552 329 K N 4.802 125.127 120.400 -0.124 0.000 2.911 329 K HA 0.008 4.421 4.320 0.155 0.000 0.239 329 K C -0.733 175.974 176.600 0.179 0.000 1.090 329 K CA -0.097 56.155 56.287 -0.059 0.000 1.225 329 K CB -0.242 32.150 32.500 -0.181 0.000 1.087 329 K HN 0.398 nan 8.250 nan 0.000 0.464 330 W N 1.565 122.886 121.300 0.035 0.000 2.304 330 W HA 0.155 4.908 4.660 0.155 0.000 0.313 330 W C 1.271 177.849 176.519 0.099 0.000 1.323 330 W CA -0.630 56.742 57.345 0.046 0.000 1.223 330 W CB 0.184 29.689 29.460 0.075 0.000 1.237 330 W HN 0.293 nan 8.180 nan 0.000 0.535 331 Q N 1.799 121.760 119.800 0.267 0.000 2.349 331 Q HA 0.023 4.456 4.340 0.155 0.000 0.209 331 Q C 0.699 176.790 176.000 0.151 0.000 0.920 331 Q CA 0.682 56.603 55.803 0.198 0.000 0.901 331 Q CB 0.524 29.341 28.738 0.131 0.000 1.021 331 Q HN 0.433 nan 8.270 nan 0.000 0.519 332 S N -0.294 115.466 115.700 0.100 0.000 2.599 332 S HA 0.693 5.256 4.470 0.155 0.000 0.287 332 S C -1.235 173.381 174.600 0.028 0.000 1.105 332 S CA -0.915 57.320 58.200 0.058 0.000 0.899 332 S CB 2.146 65.339 63.200 -0.012 0.000 1.100 332 S HN 0.108 nan 8.310 nan 0.000 0.482 333 L N 1.237 122.491 121.223 0.051 0.000 2.436 333 L HA 0.767 5.200 4.340 0.155 0.000 0.268 333 L C -0.869 176.009 176.870 0.014 0.000 0.974 333 L CA -0.007 54.839 54.840 0.010 0.000 0.826 333 L CB 2.216 44.348 42.059 0.122 0.000 1.291 333 L HN 0.848 nan 8.230 nan 0.000 0.406 334 S N 5.508 121.186 115.700 -0.037 0.000 2.498 334 S HA 0.766 5.329 4.470 0.155 0.000 0.317 334 S C -0.957 173.628 174.600 -0.026 0.000 1.090 334 S CA -0.562 57.624 58.200 -0.022 0.000 1.089 334 S CB 0.510 63.679 63.200 -0.052 0.000 0.997 334 S HN 0.442 nan 8.310 nan 0.000 0.470 335 I N 6.399 126.967 120.570 -0.004 0.000 2.420 335 I HA 0.495 4.758 4.170 0.155 0.000 0.282 335 I C -0.607 175.503 176.117 -0.011 0.000 1.019 335 I CA -0.422 60.869 61.300 -0.015 0.000 1.130 335 I CB 0.929 38.920 38.000 -0.016 0.000 1.262 335 I HN 0.566 nan 8.210 nan 0.000 0.454 336 I N 5.503 126.056 120.570 -0.029 0.000 2.582 336 I HA 0.419 4.682 4.170 0.155 0.000 0.292 336 I C 0.341 176.438 176.117 -0.033 0.000 1.066 336 I CA -0.946 60.339 61.300 -0.024 0.000 1.053 336 I CB 1.736 39.718 38.000 -0.031 0.000 1.241 336 I HN 0.461 nan 8.210 nan 0.000 0.421 337 R N 1.723 122.209 120.500 -0.024 0.000 3.301 337 R HA -0.183 4.250 4.340 0.155 0.000 0.249 337 R C -0.557 175.725 176.300 -0.030 0.000 0.964 337 R CA 0.098 56.183 56.100 -0.025 0.000 0.653 337 R CB -1.920 28.363 30.300 -0.030 0.000 1.043 337 R HN 0.573 nan 8.270 nan 0.000 0.454 338 C N -0.599 118.682 119.300 -0.032 0.000 2.604 338 C HA 0.299 4.852 4.460 0.155 0.000 0.416 338 C C 1.132 176.102 174.990 -0.033 0.000 1.566 338 C CA -0.563 58.426 59.018 -0.047 0.000 1.812 338 C CB 1.655 29.358 27.740 -0.062 0.000 2.028 338 C HN 0.511 nan 8.230 nan 0.000 0.489 339 Q N 0.612 120.389 119.800 -0.037 0.000 2.318 339 Q HA 0.274 4.707 4.340 0.155 0.000 0.371 339 Q C -1.411 174.563 176.000 -0.044 0.000 0.896 339 Q CA -0.322 55.467 55.803 -0.023 0.000 1.134 339 Q CB 0.544 29.282 28.738 0.001 0.000 1.329 339 Q HN 0.410 nan 8.270 nan 0.000 0.413 340 L N 1.328 122.512 121.223 -0.064 0.000 2.367 340 L HA 0.099 4.532 4.340 0.155 0.000 0.275 340 L C 1.323 178.102 176.870 -0.152 0.000 1.129 340 L CA 0.876 55.644 54.840 -0.120 0.000 0.839 340 L CB 0.688 42.682 42.059 -0.107 0.000 1.133 340 L HN 0.143 nan 8.230 nan 0.000 0.453 341 K N 1.481 121.699 120.400 -0.303 0.000 2.352 341 K HA 0.179 4.592 4.320 0.155 0.000 0.194 341 K C -0.185 176.285 176.600 -0.217 0.000 1.038 341 K CA 0.365 56.484 56.287 -0.280 0.000 1.023 341 K CB 0.596 32.848 32.500 -0.414 0.000 0.840 341 K HN 0.573 nan 8.250 nan 0.000 0.519 342 Q N -0.142 119.516 119.800 -0.237 0.000 2.389 342 Q HA 0.146 4.579 4.340 0.155 0.000 0.277 342 Q C -1.295 174.698 176.000 -0.012 0.000 1.082 342 Q CA -0.790 54.968 55.803 -0.074 0.000 0.810 342 Q CB 1.516 30.227 28.738 -0.043 0.000 1.374 342 Q HN 0.028 nan 8.270 nan 0.000 0.422 343 F N 3.382 123.285 119.950 -0.078 0.000 2.608 343 F HA 0.082 4.701 4.527 0.153 0.000 0.380 343 F C -1.763 174.002 175.800 -0.059 0.000 1.083 343 F CA -0.480 57.477 58.000 -0.071 0.000 1.266 343 F CB 0.366 39.288 39.000 -0.131 0.000 1.076 343 F HN 0.284 nan 8.300 nan 0.000 0.574 344 P HA 0.028 nan 4.420 nan 0.000 0.270 344 P C -0.938 176.328 177.300 -0.056 0.000 1.221 344 P CA 0.004 62.960 63.100 -0.240 0.000 0.788 344 P CB 0.535 32.032 31.700 -0.339 0.000 0.904 345 T N 1.381 115.938 114.554 0.005 0.000 3.078 345 T HA 0.595 5.038 4.350 0.155 0.000 0.328 345 T C -1.071 173.644 174.700 0.026 0.000 0.987 345 T CA -0.438 61.686 62.100 0.039 0.000 1.049 345 T CB -0.680 68.208 68.868 0.033 0.000 1.011 345 T HN 0.069 nan 8.240 nan 0.000 0.463 346 L N 3.357 124.604 121.223 0.040 0.000 2.194 346 L HA 0.892 5.325 4.340 0.155 0.000 0.248 346 L C -0.419 176.472 176.870 0.034 0.000 1.071 346 L CA -0.924 53.937 54.840 0.034 0.000 0.901 346 L CB 1.580 43.678 42.059 0.065 0.000 1.497 346 L HN 0.555 nan 8.230 nan 0.000 0.442 347 D N -1.797 118.619 120.400 0.028 0.000 3.710 347 D HA 0.166 4.899 4.640 0.155 0.000 0.274 347 D C -0.946 175.371 176.300 0.029 0.000 1.572 347 D CA -0.287 53.730 54.000 0.028 0.000 0.782 347 D CB -1.183 39.625 40.800 0.013 0.000 1.393 347 D HN 0.277 nan 8.370 nan 0.000 0.671 348 L N 1.397 122.650 121.223 0.050 0.000 2.534 348 L HA 0.239 4.672 4.340 0.155 0.000 0.271 348 L C -0.792 176.142 176.870 0.107 0.000 1.178 348 L CA -1.030 53.856 54.840 0.077 0.000 0.907 348 L CB 0.204 42.327 42.059 0.107 0.000 1.164 348 L HN -0.067 nan 8.230 nan 0.000 0.482 349 P HA -0.212 nan 4.420 nan 0.000 0.216 349 P C 1.009 178.226 177.300 -0.139 0.000 1.153 349 P CA 1.757 64.812 63.100 -0.073 0.000 0.858 349 P CB 0.059 31.651 31.700 -0.179 0.000 0.789 350 F N -1.613 118.382 119.950 0.076 0.000 2.693 350 F HA 0.218 4.837 4.527 0.154 0.000 0.303 350 F C 1.199 177.064 175.800 0.108 0.000 1.097 350 F CA -0.649 57.403 58.000 0.086 0.000 1.330 350 F CB -0.745 38.305 39.000 0.084 0.000 1.067 350 F HN -0.192 nan 8.300 nan 0.000 0.565 351 L N 1.679 123.058 121.223 0.260 0.000 2.565 351 L HA 0.042 4.475 4.340 0.155 0.000 0.275 351 L C 1.137 178.114 176.870 0.179 0.000 1.137 351 L CA 0.450 55.429 54.840 0.232 0.000 0.915 351 L CB -0.010 42.184 42.059 0.225 0.000 1.232 351 L HN 0.091 nan 8.230 nan 0.000 0.473 352 K N 1.564 122.068 120.400 0.172 0.000 2.044 352 K HA 0.093 4.506 4.320 0.155 0.000 0.204 352 K C 0.513 177.214 176.600 0.168 0.000 1.045 352 K CA 0.614 56.989 56.287 0.147 0.000 0.951 352 K CB 0.223 32.796 32.500 0.122 0.000 0.738 352 K HN 0.600 nan 8.250 nan 0.000 0.443 353 S N 0.476 116.271 115.700 0.158 0.000 2.503 353 S HA 0.520 5.083 4.470 0.155 0.000 0.301 353 S C -1.560 173.169 174.600 0.215 0.000 1.087 353 S CA -0.847 57.477 58.200 0.206 0.000 1.042 353 S CB 0.984 64.219 63.200 0.059 0.000 1.043 353 S HN 0.086 nan 8.310 nan 0.000 0.489 354 L N 4.042 125.438 121.223 0.289 0.000 2.438 354 L HA 0.681 5.114 4.340 0.155 0.000 0.270 354 L C -0.955 176.071 176.870 0.260 0.000 0.972 354 L CA 0.191 55.173 54.840 0.235 0.000 0.831 354 L CB 2.015 44.205 42.059 0.217 0.000 1.273 354 L HN 0.734 nan 8.230 nan 0.000 0.405 355 T N 6.075 120.746 114.554 0.196 0.000 2.812 355 T HA 0.619 5.061 4.350 0.155 0.000 0.282 355 T C -0.997 173.776 174.700 0.122 0.000 0.990 355 T CA -0.241 61.969 62.100 0.184 0.000 0.960 355 T CB 1.265 70.227 68.868 0.156 0.000 0.948 355 T HN 0.598 nan 8.240 nan 0.000 0.438 356 L N 3.592 124.895 121.223 0.134 0.000 2.471 356 L HA 0.677 5.110 4.340 0.155 0.000 0.263 356 L C -0.696 176.241 176.870 0.112 0.000 0.985 356 L CA -0.093 54.801 54.840 0.090 0.000 0.868 356 L CB 1.356 43.452 42.059 0.062 0.000 1.203 356 L HN 0.732 nan 8.230 nan 0.000 0.429 357 T N 4.748 119.347 114.554 0.075 0.000 2.909 357 T HA 0.514 4.957 4.350 0.155 0.000 0.299 357 T C -0.071 174.652 174.700 0.040 0.000 1.073 357 T CA -0.340 61.804 62.100 0.073 0.000 0.999 357 T CB 1.267 70.175 68.868 0.067 0.000 1.098 357 T HN 0.620 nan 8.240 nan 0.000 0.477 358 M N 2.978 122.601 119.600 0.038 0.000 2.981 358 M HA -0.169 4.404 4.480 0.155 0.000 0.176 358 M C -0.423 175.886 176.300 0.015 0.000 1.201 358 M CA 0.287 55.596 55.300 0.014 0.000 0.743 358 M CB -1.461 31.132 32.600 -0.012 0.000 1.223 358 M HN 0.710 nan 8.290 nan 0.000 0.747 359 N N 2.132 120.851 118.700 0.032 0.000 2.444 359 N HA 0.148 4.981 4.740 0.155 0.000 0.262 359 N C 0.944 176.466 175.510 0.020 0.000 0.974 359 N CA -0.428 52.636 53.050 0.023 0.000 0.933 359 N CB 1.258 39.767 38.487 0.037 0.000 1.137 359 N HN 0.399 nan 8.380 nan 0.000 0.498 360 K N 2.965 123.368 120.400 0.006 0.000 2.067 360 K HA -0.215 4.198 4.320 0.155 0.000 0.226 360 K C 0.848 177.456 176.600 0.013 0.000 1.046 360 K CA 2.203 58.494 56.287 0.006 0.000 0.967 360 K CB -0.683 31.818 32.500 0.001 0.000 0.749 360 K HN 0.725 nan 8.250 nan 0.000 0.456 361 G N -1.336 107.471 108.800 0.012 0.000 2.773 361 G HA2 0.193 4.246 3.960 0.155 0.000 0.186 361 G HA3 0.193 4.246 3.960 0.155 0.000 0.186 361 G C -0.702 174.217 174.900 0.033 0.000 1.411 361 G CA 0.114 45.224 45.100 0.017 0.000 1.054 361 G HN 0.282 nan 8.290 nan 0.000 0.579 362 S N 0.255 115.977 115.700 0.035 0.000 2.112 362 S HA 0.338 4.901 4.470 0.155 0.000 0.151 362 S C 0.523 175.160 174.600 0.061 0.000 1.723 362 S CA -0.748 57.485 58.200 0.055 0.000 1.263 362 S CB -1.059 62.172 63.200 0.051 0.000 1.194 362 S HN 0.596 nan 8.310 nan 0.000 0.419 363 I N 1.199 121.816 120.570 0.077 0.000 3.524 363 I HA 0.474 4.737 4.170 0.155 0.000 0.239 363 I C 0.112 176.298 176.117 0.115 0.000 1.291 363 I CA -0.383 60.976 61.300 0.098 0.000 1.048 363 I CB 0.299 38.390 38.000 0.151 0.000 1.528 363 I HN 0.459 nan 8.210 nan 0.000 0.814 364 S N 0.820 116.584 115.700 0.107 0.000 2.549 364 S HA 0.504 5.067 4.470 0.155 0.000 0.280 364 S C -0.613 173.946 174.600 -0.068 0.000 1.109 364 S CA -0.728 57.500 58.200 0.047 0.000 0.905 364 S CB 1.425 64.633 63.200 0.015 0.000 1.081 364 S HN 0.611 nan 8.310 nan 0.000 0.477 365 F N 2.232 121.931 119.950 -0.418 0.000 2.628 365 F HA 0.336 4.958 4.527 0.159 0.000 0.362 365 F C 0.460 175.816 175.800 -0.740 0.000 1.148 365 F CA 0.747 58.178 58.000 -0.949 0.000 1.352 365 F CB 0.375 38.555 39.000 -1.367 0.000 1.081 365 F HN 0.765 nan 8.300 nan 0.000 0.605 366 K N 4.356 123.624 120.400 -1.886 0.000 2.553 366 K HA 0.272 4.685 4.320 0.155 0.000 0.250 366 K C -1.009 174.859 176.600 -1.220 0.000 0.953 366 K CA -0.970 54.686 56.287 -1.052 0.000 0.800 366 K CB 1.200 33.502 32.500 -0.330 0.000 1.243 366 K HN 0.478 nan 8.250 nan 0.000 0.435 367 K N 1.348 121.272 120.400 -0.792 0.000 2.569 367 K HA 0.012 4.425 4.320 0.155 0.000 0.280 367 K C -0.476 175.986 176.600 -0.229 0.000 0.984 367 K CA 0.334 56.374 56.287 -0.412 0.000 1.064 367 K CB 0.585 32.989 32.500 -0.160 0.000 0.866 367 K HN 0.355 nan 8.250 nan 0.000 0.492 368 V N 0.785 120.639 119.914 -0.100 0.000 3.000 368 V HA 0.694 4.907 4.120 0.155 0.000 0.300 368 V C -1.753 174.359 176.094 0.030 0.000 1.251 368 V CA -0.608 61.691 62.300 -0.000 0.000 0.972 368 V CB 2.226 34.093 31.823 0.073 0.000 1.065 368 V HN 0.742 nan 8.190 nan 0.000 0.431 369 A N 7.129 129.964 122.820 0.025 0.000 2.316 369 A HA 0.826 5.239 4.320 0.155 0.000 0.324 369 A C -0.933 176.656 177.584 0.009 0.000 1.375 369 A CA -0.384 51.656 52.037 0.005 0.000 0.882 369 A CB 0.277 19.289 19.000 0.019 0.000 1.152 369 A HN 0.958 nan 8.150 nan 0.000 0.512 370 L N 5.065 126.289 121.223 0.000 0.000 2.384 370 L HA 0.334 4.767 4.340 0.155 0.000 0.261 370 L C -1.563 175.299 176.870 -0.012 0.000 1.024 370 L CA -1.863 52.991 54.840 0.022 0.000 0.899 370 L CB 1.730 43.834 42.059 0.075 0.000 1.243 370 L HN 0.453 nan 8.230 nan 0.000 0.449 371 P HA -0.221 nan 4.420 nan 0.000 0.219 371 P C 1.000 178.291 177.300 -0.015 0.000 1.161 371 P CA 1.452 64.532 63.100 -0.033 0.000 0.909 371 P CB 0.255 31.921 31.700 -0.057 0.000 0.793 372 S N -0.761 114.936 115.700 -0.004 0.000 2.671 372 S HA 0.104 4.667 4.470 0.155 0.000 0.220 372 S C 0.768 175.412 174.600 0.073 0.000 0.951 372 S CA -0.457 57.760 58.200 0.028 0.000 0.932 372 S CB -0.835 62.385 63.200 0.033 0.000 0.777 372 S HN 0.014 nan 8.310 nan 0.000 0.508 373 L N 3.128 124.395 121.223 0.073 0.000 2.477 373 L HA 0.196 4.629 4.340 0.155 0.000 0.272 373 L C 0.919 177.859 176.870 0.117 0.000 1.157 373 L CA 0.530 55.436 54.840 0.109 0.000 0.889 373 L CB 0.627 42.751 42.059 0.108 0.000 1.158 373 L HN 0.135 nan 8.230 nan 0.000 0.473 374 S N 3.376 119.168 115.700 0.153 0.000 2.728 374 S HA 0.194 4.757 4.470 0.155 0.000 0.257 374 S C -0.215 174.528 174.600 0.238 0.000 1.060 374 S CA -0.281 58.017 58.200 0.164 0.000 1.126 374 S CB -0.129 63.154 63.200 0.138 0.000 1.099 374 S HN 0.574 nan 8.310 nan 0.000 0.617 375 Y N 1.247 121.612 120.300 0.108 0.000 2.315 375 Y HA 0.681 5.324 4.550 0.154 0.000 0.324 375 Y C -1.695 174.298 175.900 0.156 0.000 1.062 375 Y CA -1.175 56.997 58.100 0.120 0.000 1.159 375 Y CB 1.432 39.898 38.460 0.010 0.000 1.145 375 Y HN 0.243 nan 8.280 nan 0.000 0.442 376 L N 6.723 127.911 121.223 -0.060 0.000 2.325 376 L HA 0.554 4.987 4.340 0.155 0.000 0.281 376 L C -1.503 175.349 176.870 -0.030 0.000 1.004 376 L CA -0.172 54.696 54.840 0.046 0.000 0.823 376 L CB 1.381 43.521 42.059 0.135 0.000 1.236 376 L HN 0.665 nan 8.230 nan 0.000 0.415 377 D N 4.977 125.426 120.400 0.082 0.000 2.471 377 D HA 0.316 5.049 4.640 0.155 0.000 0.245 377 D C -0.544 175.874 176.300 0.197 0.000 1.116 377 D CA -0.195 53.884 54.000 0.133 0.000 0.853 377 D CB 1.687 42.636 40.800 0.250 0.000 1.123 377 D HN 0.460 nan 8.370 nan 0.000 0.540 378 L N 2.827 124.173 121.223 0.205 0.000 3.333 378 L HA 0.125 4.558 4.340 0.155 0.000 0.299 378 L C 0.654 177.664 176.870 0.234 0.000 1.256 378 L CA -0.096 54.894 54.840 0.248 0.000 1.037 378 L CB -0.080 42.159 42.059 0.300 0.000 1.423 378 L HN 0.292 nan 8.230 nan 0.000 0.605 379 S N -0.152 115.676 115.700 0.214 0.000 2.600 379 S HA 0.405 4.968 4.470 0.155 0.000 0.265 379 S C 0.670 175.389 174.600 0.198 0.000 1.325 379 S CA -0.478 57.865 58.200 0.238 0.000 1.002 379 S CB 0.426 63.783 63.200 0.260 0.000 0.921 379 S HN 0.353 nan 8.310 nan 0.000 0.554 380 R N 0.579 121.221 120.500 0.237 0.000 3.264 380 R HA -0.130 4.302 4.340 0.155 0.000 0.251 380 R C -1.124 175.252 176.300 0.126 0.000 0.971 380 R CA 0.730 56.923 56.100 0.155 0.000 0.658 380 R CB -2.280 28.025 30.300 0.008 0.000 1.095 380 R HN 0.706 nan 8.270 nan 0.000 0.443 381 N N -0.277 118.519 118.700 0.160 0.000 2.249 381 N HA 0.313 5.146 4.740 0.155 0.000 0.296 381 N C 0.274 175.868 175.510 0.141 0.000 1.051 381 N CA -0.080 53.052 53.050 0.136 0.000 0.815 381 N CB 1.833 40.417 38.487 0.161 0.000 1.487 381 N HN 0.224 nan 8.380 nan 0.000 0.475 382 A N 1.598 124.484 122.820 0.110 0.000 2.208 382 A HA -0.056 4.357 4.320 0.155 0.000 0.202 382 A C 0.892 178.541 177.584 0.109 0.000 1.327 382 A CA 0.199 52.297 52.037 0.102 0.000 0.930 382 A CB -0.613 18.433 19.000 0.075 0.000 0.757 382 A HN 0.591 nan 8.150 nan 0.000 0.507 383 L N 0.537 121.843 121.223 0.138 0.000 2.490 383 L HA 0.190 4.623 4.340 0.155 0.000 0.274 383 L C -0.252 176.703 176.870 0.143 0.000 1.201 383 L CA 0.944 55.876 54.840 0.154 0.000 0.869 383 L CB 0.631 42.815 42.059 0.207 0.000 1.123 383 L HN 0.205 nan 8.230 nan 0.000 0.484 384 S N 6.057 121.833 115.700 0.127 0.000 2.503 384 S HA 0.586 5.149 4.470 0.155 0.000 0.301 384 S C -0.876 173.823 174.600 0.166 0.000 1.087 384 S CA -0.389 57.886 58.200 0.125 0.000 1.042 384 S CB 1.552 64.801 63.200 0.081 0.000 1.043 384 S HN 0.551 nan 8.310 nan 0.000 0.489 385 F N 2.904 122.847 119.950 -0.012 0.000 2.536 385 F HA 0.508 5.130 4.527 0.158 0.000 0.322 385 F C -0.411 175.338 175.800 -0.085 0.000 1.144 385 F CA -0.531 57.440 58.000 -0.047 0.000 0.924 385 F CB 1.116 40.019 39.000 -0.162 0.000 1.181 385 F HN 0.601 nan 8.300 nan 0.000 0.438 386 S N 3.606 119.562 115.700 0.427 0.000 2.561 386 S HA 0.759 5.322 4.470 0.155 0.000 0.303 386 S C -0.146 174.604 174.600 0.249 0.000 1.110 386 S CA -0.231 58.101 58.200 0.219 0.000 1.034 386 S CB 1.490 64.733 63.200 0.072 0.000 1.010 386 S HN 1.617 nan 8.310 nan 0.000 0.482 387 G N 0.683 109.543 108.800 0.101 0.000 2.754 387 G HA2 -0.115 3.938 3.960 0.155 0.000 0.215 387 G HA3 -0.115 3.938 3.960 0.155 0.000 0.215 387 G C -0.239 174.708 174.900 0.078 0.000 1.121 387 G CA -0.429 44.713 45.100 0.070 0.000 0.954 387 G HN 1.095 nan 8.290 nan 0.000 0.511 388 C N 0.984 120.110 119.300 -0.289 0.000 2.379 388 C HA 0.909 5.462 4.460 0.155 0.000 0.323 388 C C 0.699 175.304 174.990 -0.642 0.000 1.262 388 C CA 0.363 58.987 59.018 -0.657 0.000 1.581 388 C CB -0.306 26.625 27.740 -1.347 0.000 2.221 388 C HN 1.076 nan 8.230 nan 0.000 0.497 389 C N 3.213 122.063 119.300 -0.750 0.000 3.311 389 C HA 0.983 5.536 4.460 0.155 0.000 0.325 389 C C -0.470 174.305 174.990 -0.357 0.000 1.352 389 C CA -0.610 58.070 59.018 -0.562 0.000 1.308 389 C CB 1.047 28.329 27.740 -0.764 0.000 1.619 389 C HN 1.090 nan 8.230 nan 0.000 0.469 390 S N -1.102 114.531 115.700 -0.111 0.000 2.627 390 S HA 0.450 5.013 4.470 0.155 0.000 0.268 390 S C 0.021 174.699 174.600 0.131 0.000 1.130 390 S CA -0.323 57.896 58.200 0.033 0.000 0.819 390 S CB 0.367 63.599 63.200 0.054 0.000 1.100 390 S HN 1.334 nan 8.310 nan 0.000 0.465 391 Y N 2.517 122.850 120.300 0.056 0.000 1.997 391 Y HA -0.331 4.312 4.550 0.155 0.000 0.265 391 Y C 2.791 178.737 175.900 0.077 0.000 1.193 391 Y CA 3.862 62.004 58.100 0.070 0.000 1.106 391 Y CB -0.896 37.599 38.460 0.060 0.000 0.940 391 Y HN 0.934 nan 8.280 nan 0.000 0.494 392 S N -0.210 115.719 115.700 0.382 0.000 2.381 392 S HA -0.350 4.213 4.470 0.155 0.000 0.230 392 S C 1.758 176.454 174.600 0.160 0.000 1.052 392 S CA 1.789 60.145 58.200 0.259 0.000 1.068 392 S CB -0.987 62.320 63.200 0.179 0.000 0.918 392 S HN 0.643 nan 8.310 nan 0.000 0.448 393 D N 1.148 121.651 120.400 0.171 0.000 2.228 393 D HA -0.031 4.702 4.640 0.155 0.000 0.203 393 D C 1.637 178.091 176.300 0.256 0.000 0.988 393 D CA 1.490 55.645 54.000 0.259 0.000 0.864 393 D CB -0.021 40.953 40.800 0.290 0.000 0.928 393 D HN 0.491 nan 8.370 nan 0.000 0.469 394 L N -2.516 118.774 121.223 0.111 0.000 3.316 394 L HA 0.198 4.631 4.340 0.155 0.000 0.300 394 L C 1.075 177.884 176.870 -0.102 0.000 1.128 394 L CA 0.298 55.180 54.840 0.070 0.000 1.111 394 L CB 0.975 43.096 42.059 0.104 0.000 1.687 394 L HN -0.050 nan 8.230 nan 0.000 0.594 395 G N 1.707 110.298 108.800 -0.349 0.000 2.256 395 G HA2 -0.229 3.824 3.960 0.155 0.000 0.272 395 G HA3 -0.229 3.824 3.960 0.155 0.000 0.272 395 G C 0.047 174.515 174.900 -0.720 0.000 1.076 395 G CA 0.727 45.424 45.100 -0.672 0.000 0.882 395 G HN 0.348 nan 8.290 nan 0.000 0.497 396 T N -2.084 112.007 114.554 -0.772 0.000 2.840 396 T HA 0.563 5.006 4.350 0.155 0.000 0.317 396 T C 0.782 175.395 174.700 -0.145 0.000 1.401 396 T CA 0.275 62.166 62.100 -0.347 0.000 1.028 396 T CB 0.893 69.699 68.868 -0.104 0.000 1.317 396 T HN 0.088 nan 8.240 nan 0.000 0.495 397 N N 0.209 118.950 118.700 0.067 0.000 2.407 397 N HA 0.075 4.908 4.740 0.155 0.000 0.182 397 N C 1.819 177.394 175.510 0.109 0.000 1.079 397 N CA 0.647 53.785 53.050 0.146 0.000 0.882 397 N CB 0.252 38.860 38.487 0.201 0.000 1.106 397 N HN 0.596 nan 8.380 nan 0.000 0.461 398 S N 0.453 116.206 115.700 0.089 0.000 2.571 398 S HA -0.064 4.499 4.470 0.155 0.000 0.245 398 S C 0.687 175.345 174.600 0.097 0.000 0.976 398 S CA 0.053 58.305 58.200 0.087 0.000 0.954 398 S CB -0.575 62.671 63.200 0.077 0.000 0.756 398 S HN 0.218 nan 8.310 nan 0.000 0.535 399 L N 2.699 123.982 121.223 0.100 0.000 2.654 399 L HA 0.131 4.564 4.340 0.155 0.000 0.271 399 L C 1.296 178.236 176.870 0.117 0.000 1.169 399 L CA 0.398 55.306 54.840 0.114 0.000 0.947 399 L CB 0.197 42.325 42.059 0.115 0.000 1.232 399 L HN 0.191 nan 8.230 nan 0.000 0.486 400 R N 1.965 122.543 120.500 0.130 0.000 2.164 400 R HA 0.142 4.574 4.340 0.155 0.000 0.198 400 R C 0.003 176.389 176.300 0.143 0.000 1.028 400 R CA -0.185 55.992 56.100 0.129 0.000 1.083 400 R CB 0.075 30.455 30.300 0.132 0.000 1.026 400 R HN 0.593 nan 8.270 nan 0.000 0.514 401 H N 0.364 119.455 119.070 0.034 0.000 2.463 401 H HA 0.497 5.146 4.556 0.155 0.000 0.332 401 H C -1.514 173.760 175.328 -0.090 0.000 1.127 401 H CA -0.727 55.291 56.048 -0.049 0.000 1.238 401 H CB 1.282 30.903 29.762 -0.235 0.000 1.478 401 H HN -0.080 nan 8.280 nan 0.000 0.499 402 L N 4.579 125.597 121.223 -0.341 0.000 2.580 402 L HA 0.307 4.740 4.340 0.155 0.000 0.266 402 L C -2.009 174.691 176.870 -0.283 0.000 0.955 402 L CA -0.480 54.245 54.840 -0.191 0.000 0.886 402 L CB 1.751 43.782 42.059 -0.047 0.000 1.263 402 L HN 0.731 nan 8.230 nan 0.000 0.406 403 D N 4.925 125.245 120.400 -0.132 0.000 2.425 403 D HA 0.476 5.209 4.640 0.155 0.000 0.240 403 D C -0.375 175.964 176.300 0.065 0.000 1.080 403 D CA -0.033 53.941 54.000 -0.044 0.000 0.836 403 D CB 1.392 42.258 40.800 0.111 0.000 1.125 403 D HN 0.684 nan 8.370 nan 0.000 0.525 404 L N 2.716 123.972 121.223 0.055 0.000 3.288 404 L HA 0.174 4.607 4.340 0.155 0.000 0.293 404 L C 0.471 177.493 176.870 0.253 0.000 1.294 404 L CA -0.349 54.612 54.840 0.201 0.000 1.006 404 L CB 0.427 42.674 42.059 0.314 0.000 1.407 404 L HN 0.250 nan 8.230 nan 0.000 0.592 405 S N -1.415 114.424 115.700 0.232 0.000 2.646 405 S HA 0.558 5.121 4.470 0.155 0.000 0.276 405 S C 0.352 175.170 174.600 0.363 0.000 1.222 405 S CA -0.378 57.956 58.200 0.223 0.000 1.014 405 S CB 0.901 64.237 63.200 0.227 0.000 0.991 405 S HN 0.272 nan 8.310 nan 0.000 0.533 406 F N -0.686 119.371 119.950 0.179 0.000 3.080 406 F HA -0.221 4.396 4.527 0.150 0.000 0.292 406 F C 0.252 176.125 175.800 0.121 0.000 0.891 406 F CA 0.591 58.674 58.000 0.139 0.000 1.086 406 F CB -2.501 36.555 39.000 0.093 0.000 1.095 406 F HN 0.651 nan 8.300 nan 0.000 0.633 407 N N -0.647 118.193 118.700 0.233 0.000 2.992 407 N HA 0.779 5.612 4.740 0.155 0.000 0.338 407 N C 1.104 176.696 175.510 0.136 0.000 1.376 407 N CA -0.196 52.967 53.050 0.189 0.000 0.778 407 N CB 0.279 38.883 38.487 0.195 0.000 1.232 407 N HN 0.113 nan 8.380 nan 0.000 0.581 408 G N -0.941 107.927 108.800 0.115 0.000 3.374 408 G HA2 0.510 4.563 3.960 0.155 0.000 0.200 408 G HA3 0.510 4.563 3.960 0.155 0.000 0.200 408 G C -1.016 173.915 174.900 0.052 0.000 1.801 408 G CA -0.127 45.021 45.100 0.080 0.000 0.842 408 G HN 0.581 nan 8.290 nan 0.000 0.688 409 A N 0.253 123.098 122.820 0.042 0.000 2.506 409 A HA 0.622 5.035 4.320 0.155 0.000 0.320 409 A C -0.386 177.197 177.584 -0.003 0.000 1.424 409 A CA -0.369 51.671 52.037 0.006 0.000 1.044 409 A CB -0.563 18.440 19.000 0.004 0.000 1.140 409 A HN 0.371 nan 8.150 nan 0.000 0.538 410 I N 4.288 124.819 120.570 -0.066 0.000 2.287 410 I HA 0.203 4.466 4.170 0.155 0.000 0.290 410 I C -0.257 175.722 176.117 -0.229 0.000 1.069 410 I CA 0.025 61.238 61.300 -0.144 0.000 1.237 410 I CB 0.572 38.423 38.000 -0.248 0.000 1.418 410 I HN 0.487 nan 8.210 nan 0.000 0.481 411 I N 6.568 127.033 120.570 -0.174 0.000 2.352 411 I HA 0.201 4.464 4.170 0.155 0.000 0.290 411 I C 0.138 176.071 176.117 -0.307 0.000 1.036 411 I CA -0.370 60.807 61.300 -0.206 0.000 1.336 411 I CB 0.797 38.722 38.000 -0.125 0.000 1.407 411 I HN 0.399 nan 8.210 nan 0.000 0.497 412 M N 5.651 125.026 119.600 -0.376 0.000 2.105 412 M HA 0.127 4.700 4.480 0.155 0.000 0.350 412 M C 0.790 176.779 176.300 -0.518 0.000 1.308 412 M CA 0.430 55.457 55.300 -0.455 0.000 1.108 412 M CB 0.824 33.142 32.600 -0.470 0.000 1.622 412 M HN 0.694 nan 8.290 nan 0.000 0.468 413 S N 2.783 118.216 115.700 -0.444 0.000 3.142 413 S HA 0.484 5.047 4.470 0.155 0.000 0.223 413 S C 0.705 175.110 174.600 -0.325 0.000 0.939 413 S CA 0.477 58.435 58.200 -0.404 0.000 0.826 413 S CB 0.321 63.392 63.200 -0.214 0.000 0.823 413 S HN 0.741 nan 8.310 nan 0.000 0.612 414 A N 1.705 124.396 122.820 -0.215 0.000 2.298 414 A HA 0.615 5.028 4.320 0.155 0.000 0.302 414 A C -0.004 177.501 177.584 -0.132 0.000 1.177 414 A CA -0.109 51.862 52.037 -0.110 0.000 0.912 414 A CB 0.099 19.050 19.000 -0.083 0.000 1.331 414 A HN 0.750 nan 8.150 nan 0.000 0.504 415 N N -2.538 116.150 118.700 -0.020 0.000 2.401 415 N HA 0.353 5.186 4.740 0.155 0.000 0.264 415 N C -0.661 175.012 175.510 0.271 0.000 1.238 415 N CA -0.291 52.816 53.050 0.096 0.000 0.889 415 N CB -0.198 38.365 38.487 0.126 0.000 1.196 415 N HN 0.440 nan 8.380 nan 0.000 0.511 416 F N -1.891 118.064 119.950 0.010 0.000 2.953 416 F HA -0.246 4.377 4.527 0.160 0.000 0.292 416 F C 0.541 176.385 175.800 0.073 0.000 0.747 416 F CA 0.263 58.295 58.000 0.052 0.000 1.222 416 F CB -1.103 37.948 39.000 0.086 0.000 1.457 416 F HN 0.358 nan 8.300 nan 0.000 0.383 417 M N 1.198 120.892 119.600 0.157 0.000 2.427 417 M HA 0.348 4.921 4.480 0.155 0.000 0.345 417 M C 1.321 177.703 176.300 0.136 0.000 1.653 417 M CA 1.753 57.132 55.300 0.132 0.000 1.138 417 M CB -0.262 32.392 32.600 0.090 0.000 1.995 417 M HN 0.700 nan 8.290 nan 0.000 0.459 418 G N 4.486 113.378 108.800 0.152 0.000 2.201 418 G HA2 -0.192 3.860 3.960 0.155 0.000 0.212 418 G HA3 -0.192 3.860 3.960 0.155 0.000 0.212 418 G C 0.155 175.183 174.900 0.213 0.000 0.994 418 G CA 0.005 45.213 45.100 0.180 0.000 0.644 418 G HN 0.623 nan 8.290 nan 0.000 0.508 419 L N 1.828 123.176 121.223 0.209 0.000 3.141 419 L HA 0.262 4.695 4.340 0.155 0.000 0.267 419 L C 2.186 179.173 176.870 0.196 0.000 1.281 419 L CA 0.257 55.226 54.840 0.215 0.000 1.037 419 L CB 0.399 42.617 42.059 0.265 0.000 1.407 419 L HN 0.336 nan 8.230 nan 0.000 0.566 420 E N 0.118 120.415 120.200 0.161 0.000 2.187 420 E HA -0.266 4.176 4.350 0.155 0.000 0.199 420 E C 0.834 177.495 176.600 0.100 0.000 1.004 420 E CA 1.421 57.895 56.400 0.123 0.000 0.813 420 E CB -0.066 29.697 29.700 0.105 0.000 0.736 420 E HN 0.444 nan 8.360 nan 0.000 0.468 421 E N 0.726 120.990 120.200 0.105 0.000 2.478 421 E HA 0.049 4.492 4.350 0.155 0.000 0.198 421 E C 0.926 177.578 176.600 0.086 0.000 1.046 421 E CA -0.124 56.330 56.400 0.090 0.000 0.870 421 E CB -0.182 29.573 29.700 0.093 0.000 0.818 421 E HN 0.300 nan 8.360 nan 0.000 0.527 422 L N 2.174 123.452 121.223 0.092 0.000 2.455 422 L HA -0.051 4.382 4.340 0.155 0.000 0.272 422 L C 0.970 177.862 176.870 0.038 0.000 1.174 422 L CA 0.867 55.752 54.840 0.075 0.000 0.869 422 L CB 0.500 42.614 42.059 0.092 0.000 1.130 422 L HN 0.159 nan 8.230 nan 0.000 0.474 423 Q N 4.121 123.950 119.800 0.048 0.000 2.073 423 Q HA 0.188 4.621 4.340 0.155 0.000 0.215 423 Q C -0.380 175.677 176.000 0.095 0.000 0.776 423 Q CA -0.272 55.562 55.803 0.050 0.000 1.008 423 Q CB 0.573 29.352 28.738 0.068 0.000 1.196 423 Q HN 0.697 nan 8.270 nan 0.000 0.458 424 H N 0.417 119.439 119.070 -0.079 0.000 3.162 424 H HA 0.370 5.020 4.556 0.157 0.000 0.309 424 H C -2.070 173.116 175.328 -0.236 0.000 1.156 424 H CA -0.622 55.358 56.048 -0.114 0.000 1.586 424 H CB 1.551 31.195 29.762 -0.197 0.000 1.740 424 H HN 0.171 nan 8.280 nan 0.000 0.525 425 L N 5.078 126.034 121.223 -0.444 0.000 2.305 425 L HA 0.342 4.775 4.340 0.155 0.000 0.284 425 L C -0.738 175.733 176.870 -0.664 0.000 1.013 425 L CA -0.256 54.244 54.840 -0.568 0.000 0.819 425 L CB 1.490 43.224 42.059 -0.541 0.000 1.227 425 L HN 0.576 nan 8.230 nan 0.000 0.417 426 D N 4.036 124.021 120.400 -0.692 0.000 2.505 426 D HA 0.270 5.003 4.640 0.155 0.000 0.250 426 D C -0.513 175.540 176.300 -0.413 0.000 1.164 426 D CA -0.074 53.662 54.000 -0.441 0.000 0.870 426 D CB 0.583 41.280 40.800 -0.172 0.000 1.160 426 D HN 0.410 nan 8.370 nan 0.000 0.549 427 F N 1.305 121.227 119.950 -0.046 0.000 2.708 427 F HA 0.212 4.831 4.527 0.153 0.000 0.300 427 F C 1.363 177.113 175.800 -0.082 0.000 1.118 427 F CA -0.619 57.361 58.000 -0.033 0.000 1.307 427 F CB 0.506 39.501 39.000 -0.009 0.000 0.986 427 F HN 0.091 nan 8.300 nan 0.000 0.522 428 Q N 1.118 120.921 119.800 0.005 0.000 2.304 428 Q HA -0.127 4.306 4.340 0.155 0.000 0.315 428 Q C 0.483 176.303 176.000 -0.300 0.000 1.075 428 Q CA 0.828 56.529 55.803 -0.169 0.000 0.988 428 Q CB 0.085 28.701 28.738 -0.204 0.000 1.146 428 Q HN 0.428 nan 8.270 nan 0.000 0.383 429 H N -0.564 118.363 119.070 -0.238 0.000 2.971 429 H HA -0.160 4.490 4.556 0.157 0.000 0.281 429 H C -0.584 174.674 175.328 -0.117 0.000 1.131 429 H CA 0.892 56.815 56.048 -0.208 0.000 1.166 429 H CB -1.117 28.405 29.762 -0.400 0.000 1.311 429 H HN 0.344 nan 8.280 nan 0.000 0.349 430 S N 0.789 116.497 115.700 0.012 0.000 2.489 430 S HA 0.237 4.800 4.470 0.155 0.000 0.291 430 S C 0.515 175.120 174.600 0.007 0.000 1.151 430 S CA -0.652 57.577 58.200 0.048 0.000 1.082 430 S CB 1.808 65.067 63.200 0.098 0.000 1.019 430 S HN 0.194 nan 8.310 nan 0.000 0.492 431 T N 4.345 118.900 114.554 0.002 0.000 2.775 431 T HA 0.195 4.638 4.350 0.155 0.000 0.281 431 T C 0.245 174.890 174.700 -0.091 0.000 0.908 431 T CA -0.071 62.011 62.100 -0.031 0.000 1.123 431 T CB -0.683 68.177 68.868 -0.013 0.000 0.879 431 T HN 0.350 nan 8.240 nan 0.000 0.547 432 L N 3.235 124.376 121.223 -0.135 0.000 2.371 432 L HA 0.479 4.912 4.340 0.155 0.000 0.272 432 L C 0.537 177.293 176.870 -0.189 0.000 1.124 432 L CA -0.488 54.212 54.840 -0.234 0.000 0.816 432 L CB 0.671 42.561 42.059 -0.282 0.000 1.129 432 L HN 0.347 nan 8.230 nan 0.000 0.448 433 K N 1.312 121.578 120.400 -0.224 0.000 2.328 433 K HA 0.488 4.901 4.320 0.155 0.000 0.246 433 K C -0.278 176.178 176.600 -0.240 0.000 0.955 433 K CA -0.726 55.447 56.287 -0.190 0.000 0.817 433 K CB 1.536 33.943 32.500 -0.155 0.000 1.208 433 K HN 0.336 nan 8.250 nan 0.000 0.432 434 R N -0.139 120.238 120.500 -0.206 0.000 3.758 434 R HA -0.197 4.236 4.340 0.155 0.000 0.299 434 R C 0.761 176.900 176.300 -0.269 0.000 1.182 434 R CA 0.631 56.587 56.100 -0.240 0.000 0.809 434 R CB -2.182 27.908 30.300 -0.350 0.000 1.249 434 R HN 0.387 nan 8.270 nan 0.000 0.497 435 V N -0.593 119.187 119.914 -0.224 0.000 2.725 435 V HA -0.107 4.106 4.120 0.155 0.000 0.247 435 V C 2.177 178.202 176.094 -0.117 0.000 1.058 435 V CA 2.320 64.485 62.300 -0.225 0.000 1.080 435 V CB 0.479 32.171 31.823 -0.219 0.000 0.713 435 V HN 0.518 nan 8.190 nan 0.000 0.465 436 T N -1.053 113.447 114.554 -0.090 0.000 2.962 436 T HA -0.166 4.276 4.350 0.155 0.000 0.270 436 T C 1.625 176.320 174.700 -0.009 0.000 1.088 436 T CA 1.974 64.058 62.100 -0.026 0.000 1.127 436 T CB -0.129 68.695 68.868 -0.073 0.000 0.883 436 T HN 0.626 nan 8.240 nan 0.000 0.493 437 E N 0.067 120.251 120.200 -0.026 0.000 1.998 437 E HA 0.119 4.562 4.350 0.155 0.000 0.196 437 E C 0.741 177.365 176.600 0.041 0.000 1.003 437 E CA 1.239 57.660 56.400 0.035 0.000 0.829 437 E CB -0.185 29.617 29.700 0.170 0.000 0.777 437 E HN 0.662 nan 8.360 nan 0.000 0.460 438 F N -1.279 118.524 119.950 -0.245 0.000 2.219 438 F HA 0.238 4.858 4.527 0.155 0.000 0.249 438 F C 1.234 176.969 175.800 -0.108 0.000 0.872 438 F CA -0.640 57.225 58.000 -0.224 0.000 1.132 438 F CB 0.241 39.145 39.000 -0.160 0.000 1.994 438 F HN -0.183 nan 8.300 nan 0.000 0.603 439 S N -0.363 115.470 115.700 0.222 0.000 2.592 439 S HA 0.378 4.941 4.470 0.155 0.000 0.243 439 S C 0.912 175.558 174.600 0.078 0.000 1.160 439 S CA 0.109 58.464 58.200 0.258 0.000 1.145 439 S CB -0.442 62.942 63.200 0.307 0.000 0.909 439 S HN 0.691 nan 8.310 nan 0.000 0.487 440 A N 1.089 123.849 122.820 -0.100 0.000 1.933 440 A HA -0.269 4.144 4.320 0.155 0.000 0.252 440 A C 1.149 178.558 177.584 -0.292 0.000 2.192 440 A CA 2.510 54.318 52.037 -0.382 0.000 0.766 440 A CB -1.144 17.322 19.000 -0.889 0.000 0.834 440 A HN 0.695 nan 8.150 nan 0.000 0.553 441 F N -1.641 118.392 119.950 0.140 0.000 2.727 441 F HA 0.287 4.917 4.527 0.171 0.000 0.302 441 F C 1.497 177.343 175.800 0.077 0.000 1.097 441 F CA 0.021 58.056 58.000 0.059 0.000 1.330 441 F CB -0.343 38.662 39.000 0.009 0.000 1.084 441 F HN 0.167 nan 8.300 nan 0.000 0.578 442 L N 0.827 122.178 121.223 0.213 0.000 2.151 442 L HA -0.330 4.103 4.340 0.155 0.000 0.219 442 L C 2.194 179.154 176.870 0.149 0.000 1.083 442 L CA 2.306 57.247 54.840 0.168 0.000 0.782 442 L CB -0.780 41.363 42.059 0.140 0.000 0.891 442 L HN 0.274 nan 8.230 nan 0.000 0.439 443 S N -2.817 112.984 115.700 0.167 0.000 2.568 443 S HA 0.253 4.816 4.470 0.155 0.000 0.232 443 S C 0.609 175.288 174.600 0.132 0.000 0.975 443 S CA -0.475 57.812 58.200 0.145 0.000 0.949 443 S CB -0.391 62.902 63.200 0.154 0.000 0.829 443 S HN 0.274 nan 8.310 nan 0.000 0.479 444 L N 2.427 123.718 121.223 0.113 0.000 2.512 444 L HA 0.363 4.796 4.340 0.155 0.000 0.247 444 L C 1.420 178.315 176.870 0.042 0.000 1.204 444 L CA -0.102 54.772 54.840 0.056 0.000 1.153 444 L CB 0.267 42.308 42.059 -0.031 0.000 1.415 444 L HN 0.376 nan 8.230 nan 0.000 0.406 445 E N 1.207 121.440 120.200 0.054 0.000 2.512 445 E HA -0.060 4.383 4.350 0.155 0.000 0.195 445 E C 0.801 177.421 176.600 0.034 0.000 1.083 445 E CA 0.522 56.949 56.400 0.045 0.000 0.873 445 E CB 0.408 30.139 29.700 0.052 0.000 0.897 445 E HN 0.533 nan 8.360 nan 0.000 0.514 446 K N -0.162 120.254 120.400 0.027 0.000 2.558 446 K HA 0.122 4.535 4.320 0.155 0.000 0.215 446 K C -0.065 176.541 176.600 0.011 0.000 1.298 446 K CA -0.372 55.931 56.287 0.025 0.000 1.008 446 K CB 0.751 33.275 32.500 0.039 0.000 1.073 446 K HN -0.001 nan 8.250 nan 0.000 0.606 447 L N 2.290 123.504 121.223 -0.015 0.000 2.559 447 L HA -0.025 4.408 4.340 0.155 0.000 0.274 447 L C 0.707 177.555 176.870 -0.037 0.000 1.205 447 L CA 0.576 55.387 54.840 -0.048 0.000 0.907 447 L CB 0.390 42.375 42.059 -0.123 0.000 1.153 447 L HN 0.125 nan 8.230 nan 0.000 0.490 448 L N 5.120 126.345 121.223 0.002 0.000 2.425 448 L HA 0.153 4.586 4.340 0.155 0.000 0.215 448 L C -0.415 176.477 176.870 0.037 0.000 1.065 448 L CA -0.067 54.788 54.840 0.025 0.000 0.842 448 L CB -0.015 42.082 42.059 0.063 0.000 1.033 448 L HN 0.570 nan 8.230 nan 0.000 0.474 449 Y N 1.241 121.468 120.300 -0.122 0.000 2.332 449 Y HA 0.575 5.222 4.550 0.161 0.000 0.326 449 Y C -1.176 174.524 175.900 -0.332 0.000 0.978 449 Y CA -1.237 56.751 58.100 -0.187 0.000 1.205 449 Y CB 1.501 39.907 38.460 -0.091 0.000 1.131 449 Y HN -0.117 nan 8.280 nan 0.000 0.462 450 L N 6.641 127.487 121.223 -0.629 0.000 2.356 450 L HA 0.582 5.015 4.340 0.155 0.000 0.277 450 L C -1.784 174.684 176.870 -0.670 0.000 0.996 450 L CA -0.267 54.211 54.840 -0.604 0.000 0.822 450 L CB 1.675 43.415 42.059 -0.532 0.000 1.256 450 L HN 0.663 nan 8.230 nan 0.000 0.413 451 D N 4.857 124.933 120.400 -0.540 0.000 2.481 451 D HA 0.355 5.088 4.640 0.155 0.000 0.246 451 D C -0.094 176.118 176.300 -0.147 0.000 1.109 451 D CA -0.236 53.551 54.000 -0.356 0.000 0.845 451 D CB 1.189 41.815 40.800 -0.290 0.000 1.160 451 D HN 0.601 nan 8.370 nan 0.000 0.534 452 I N 0.472 121.001 120.570 -0.067 0.000 3.531 452 I HA 0.389 4.651 4.170 0.155 0.000 0.341 452 I C -0.190 175.914 176.117 -0.020 0.000 1.550 452 I CA -0.632 60.701 61.300 0.055 0.000 1.087 452 I CB 0.614 38.703 38.000 0.148 0.000 1.408 452 I HN -0.053 nan 8.210 nan 0.000 0.484 453 S N 1.141 116.800 115.700 -0.069 0.000 2.531 453 S HA 0.234 4.797 4.470 0.155 0.000 0.279 453 S C -0.059 174.445 174.600 -0.161 0.000 1.305 453 S CA 0.119 58.235 58.200 -0.141 0.000 1.058 453 S CB -0.132 63.050 63.200 -0.030 0.000 0.899 453 S HN 0.580 nan 8.310 nan 0.000 0.493 454 Y N -0.185 119.963 120.300 -0.253 0.000 3.491 454 Y HA -0.266 4.361 4.550 0.128 0.000 0.215 454 Y C 1.780 177.526 175.900 -0.255 0.000 1.219 454 Y CA 0.751 58.659 58.100 -0.320 0.000 1.485 454 Y CB -2.741 35.318 38.460 -0.669 0.000 1.450 454 Y HN 0.803 nan 8.280 nan 0.000 0.603 455 T N -3.897 110.616 114.554 -0.068 0.000 3.219 455 T HA 0.131 4.574 4.350 0.155 0.000 0.249 455 T C 0.477 175.159 174.700 -0.029 0.000 1.099 455 T CA 0.269 62.347 62.100 -0.036 0.000 0.988 455 T CB -0.168 68.687 68.868 -0.021 0.000 0.999 455 T HN 0.521 nan 8.240 nan 0.000 0.550 456 N N 0.765 119.453 118.700 -0.020 0.000 2.608 456 N HA -0.148 4.685 4.740 0.155 0.000 0.273 456 N C -1.099 174.387 175.510 -0.039 0.000 1.133 456 N CA 0.905 53.948 53.050 -0.012 0.000 0.726 456 N CB -1.201 37.293 38.487 0.011 0.000 0.890 456 N HN 0.523 nan 8.380 nan 0.000 0.548 457 T N 1.499 116.018 114.554 -0.059 0.000 2.887 457 T HA 0.664 5.107 4.350 0.155 0.000 0.288 457 T C -0.611 174.020 174.700 -0.115 0.000 1.021 457 T CA -0.808 61.239 62.100 -0.088 0.000 1.000 457 T CB 1.415 70.226 68.868 -0.095 0.000 1.034 457 T HN 0.329 nan 8.240 nan 0.000 0.467 458 K N 2.065 122.380 120.400 -0.141 0.000 2.450 458 K HA 0.548 4.961 4.320 0.155 0.000 0.257 458 K C -0.731 175.712 176.600 -0.262 0.000 0.953 458 K CA -0.707 55.477 56.287 -0.172 0.000 0.844 458 K CB 0.830 33.270 32.500 -0.101 0.000 1.103 458 K HN 0.353 nan 8.250 nan 0.000 0.429 459 I N 3.888 124.175 120.570 -0.472 0.000 2.379 459 I HA 0.053 4.316 4.170 0.155 0.000 0.290 459 I C -0.180 175.757 176.117 -0.301 0.000 1.063 459 I CA 0.099 61.075 61.300 -0.541 0.000 1.351 459 I CB 0.480 37.827 38.000 -1.089 0.000 1.410 459 I HN 0.737 nan 8.210 nan 0.000 0.505 460 D N 5.386 125.688 120.400 -0.163 0.000 2.652 460 D HA 0.046 4.779 4.640 0.155 0.000 0.261 460 D C 0.610 176.917 176.300 0.012 0.000 1.024 460 D CA 0.389 54.355 54.000 -0.058 0.000 0.958 460 D CB 0.043 40.826 40.800 -0.028 0.000 1.113 460 D HN 0.387 nan 8.370 nan 0.000 0.471 461 F N 2.256 122.105 119.950 -0.169 0.000 2.518 461 F HA -0.037 4.583 4.527 0.156 0.000 0.359 461 F C 1.224 176.920 175.800 -0.174 0.000 1.118 461 F CA -0.274 57.636 58.000 -0.151 0.000 1.287 461 F CB 1.008 39.919 39.000 -0.148 0.000 1.132 461 F HN -0.241 nan 8.300 nan 0.000 0.587 462 D N 3.127 123.205 120.400 -0.537 0.000 2.305 462 D HA 0.074 4.807 4.640 0.155 0.000 0.206 462 D C 1.585 177.357 176.300 -0.881 0.000 0.974 462 D CA 0.764 54.426 54.000 -0.565 0.000 0.871 462 D CB 0.315 40.954 40.800 -0.269 0.000 0.947 462 D HN 0.685 nan 8.370 nan 0.000 0.516 463 G N 0.694 108.360 108.800 -1.891 0.000 3.605 463 G HA2 0.059 4.112 3.960 0.155 0.000 0.277 463 G HA3 0.059 4.112 3.960 0.155 0.000 0.277 463 G C 1.342 175.749 174.900 -0.823 0.000 1.093 463 G CA -0.343 44.049 45.100 -1.180 0.000 0.821 463 G HN 0.210 nan 8.290 nan 0.000 0.532 464 I N -0.859 119.204 120.570 -0.844 0.000 2.194 464 I HA -0.155 4.108 4.170 0.155 0.000 0.246 464 I C 1.504 177.459 176.117 -0.270 0.000 1.093 464 I CA 1.498 62.514 61.300 -0.472 0.000 1.355 464 I CB 0.084 37.634 38.000 -0.751 0.000 1.046 464 I HN 0.263 nan 8.210 nan 0.000 0.413 465 F N 0.289 120.218 119.950 -0.036 0.000 2.693 465 F HA 0.192 4.821 4.527 0.170 0.000 0.303 465 F C 0.584 176.396 175.800 0.020 0.000 1.097 465 F CA -0.885 57.126 58.000 0.018 0.000 1.330 465 F CB 0.162 39.117 39.000 -0.074 0.000 1.067 465 F HN 0.024 nan 8.300 nan 0.000 0.565 466 L N 1.101 122.391 121.223 0.110 0.000 2.534 466 L HA 0.383 4.816 4.340 0.155 0.000 0.271 466 L C 0.944 177.893 176.870 0.131 0.000 1.178 466 L CA 1.024 55.912 54.840 0.081 0.000 0.907 466 L CB 0.178 42.246 42.059 0.015 0.000 1.164 466 L HN 0.378 nan 8.230 nan 0.000 0.482 467 G N 3.719 112.585 108.800 0.111 0.000 2.352 467 G HA2 -0.205 3.848 3.960 0.155 0.000 0.204 467 G HA3 -0.205 3.848 3.960 0.155 0.000 0.204 467 G C 0.271 175.225 174.900 0.091 0.000 1.004 467 G CA -0.041 45.124 45.100 0.108 0.000 0.648 467 G HN 0.521 nan 8.290 nan 0.000 0.491 468 L N 3.373 124.651 121.223 0.091 0.000 2.437 468 L HA 0.319 4.752 4.340 0.155 0.000 0.243 468 L C 1.998 178.881 176.870 0.022 0.000 1.346 468 L CA 0.582 55.443 54.840 0.035 0.000 1.233 468 L CB 0.050 42.106 42.059 -0.006 0.000 1.436 468 L HN 0.384 nan 8.230 nan 0.000 0.416 469 T N -5.675 108.897 114.554 0.031 0.000 3.100 469 T HA 0.012 4.455 4.350 0.155 0.000 0.253 469 T C 1.449 176.160 174.700 0.018 0.000 1.118 469 T CA 0.263 62.380 62.100 0.028 0.000 1.058 469 T CB 0.236 69.126 68.868 0.036 0.000 0.953 469 T HN 0.308 nan 8.240 nan 0.000 0.515 470 S N 0.493 116.198 115.700 0.010 0.000 2.540 470 S HA 0.375 4.938 4.470 0.155 0.000 0.218 470 S C 0.324 174.919 174.600 -0.008 0.000 0.977 470 S CA -0.617 57.587 58.200 0.007 0.000 0.918 470 S CB -0.178 63.030 63.200 0.013 0.000 0.806 470 S HN 0.392 nan 8.310 nan 0.000 0.496 471 L N 2.681 123.886 121.223 -0.030 0.000 2.525 471 L HA 0.133 4.565 4.340 0.155 0.000 0.278 471 L C 0.590 177.431 176.870 -0.049 0.000 1.218 471 L CA 0.758 55.561 54.840 -0.062 0.000 0.878 471 L CB 0.355 42.348 42.059 -0.110 0.000 1.127 471 L HN -0.038 nan 8.230 nan 0.000 0.492 472 N N 0.633 119.306 118.700 -0.044 0.000 2.672 472 N HA 0.136 4.969 4.740 0.155 0.000 0.229 472 N C -0.541 174.955 175.510 -0.023 0.000 1.043 472 N CA 0.452 53.490 53.050 -0.020 0.000 0.932 472 N CB 0.370 38.865 38.487 0.013 0.000 1.500 472 N HN 0.609 nan 8.380 nan 0.000 0.445 473 T N 1.490 116.020 114.554 -0.041 0.000 2.749 473 T HA 0.464 4.907 4.350 0.155 0.000 0.287 473 T C -0.924 173.644 174.700 -0.220 0.000 0.970 473 T CA -0.300 61.761 62.100 -0.064 0.000 0.980 473 T CB 1.245 70.066 68.868 -0.078 0.000 0.924 473 T HN -0.061 nan 8.240 nan 0.000 0.456 474 L N 4.619 125.757 121.223 -0.141 0.000 2.417 474 L HA 0.461 4.894 4.340 0.155 0.000 0.259 474 L C -0.412 176.381 176.870 -0.128 0.000 1.023 474 L CA -0.516 54.176 54.840 -0.247 0.000 0.901 474 L CB 0.407 42.280 42.059 -0.309 0.000 1.227 474 L HN 0.418 nan 8.230 nan 0.000 0.454 475 K N 5.886 126.172 120.400 -0.190 0.000 2.297 475 K HA 0.553 4.966 4.320 0.155 0.000 0.286 475 K C -0.037 176.501 176.600 -0.104 0.000 1.053 475 K CA 0.096 56.340 56.287 -0.072 0.000 0.940 475 K CB 0.750 33.184 32.500 -0.110 0.000 1.019 475 K HN 0.727 nan 8.250 nan 0.000 0.475 476 M N 0.311 119.881 119.600 -0.050 0.000 4.981 476 M HA 0.368 4.941 4.480 0.155 0.000 0.584 476 M C -0.978 175.269 176.300 -0.088 0.000 2.270 476 M CA -0.599 54.676 55.300 -0.042 0.000 0.414 476 M CB 1.156 33.789 32.600 0.055 0.000 1.445 476 M HN 0.365 nan 8.290 nan 0.000 0.634 477 A N 0.359 123.049 122.820 -0.217 0.000 2.279 477 A HA 0.844 5.257 4.320 0.155 0.000 0.303 477 A C 1.367 178.463 177.584 -0.813 0.000 1.108 477 A CA 0.321 52.140 52.037 -0.363 0.000 0.830 477 A CB 0.231 19.069 19.000 -0.270 0.000 1.106 477 A HN 1.757 nan 8.150 nan 0.000 0.493 478 G N 0.912 109.344 108.800 -0.615 0.000 2.168 478 G HA2 -0.247 3.806 3.960 0.155 0.000 0.257 478 G HA3 -0.247 3.806 3.960 0.155 0.000 0.257 478 G C 0.310 175.031 174.900 -0.298 0.000 0.997 478 G CA 0.553 45.301 45.100 -0.585 0.000 0.708 478 G HN 0.749 nan 8.290 nan 0.000 0.520 479 N N 0.084 118.670 118.700 -0.190 0.000 2.607 479 N HA 0.697 5.530 4.740 0.155 0.000 0.284 479 N C 0.795 176.312 175.510 0.012 0.000 1.365 479 N CA 0.665 53.672 53.050 -0.071 0.000 0.862 479 N CB 0.522 38.974 38.487 -0.058 0.000 1.107 479 N HN 1.051 nan 8.380 nan 0.000 0.463 480 S N -1.400 114.328 115.700 0.046 0.000 2.636 480 S HA 0.636 5.199 4.470 0.155 0.000 0.266 480 S C -1.891 172.782 174.600 0.121 0.000 1.147 480 S CA -0.843 57.432 58.200 0.124 0.000 0.815 480 S CB 0.604 63.839 63.200 0.058 0.000 1.119 480 S HN 0.220 nan 8.310 nan 0.000 0.470 481 F N 1.753 121.691 119.950 -0.021 0.000 2.576 481 F HA 0.564 5.177 4.527 0.144 0.000 0.313 481 F C 0.016 175.801 175.800 -0.024 0.000 1.078 481 F CA -0.772 57.211 58.000 -0.029 0.000 0.921 481 F CB 2.148 41.129 39.000 -0.032 0.000 1.232 481 F HN 0.886 nan 8.300 nan 0.000 0.459 482 K N 1.817 122.262 120.400 0.075 0.000 2.548 482 K HA -0.091 4.322 4.320 0.155 0.000 0.277 482 K C -0.267 176.389 176.600 0.093 0.000 1.001 482 K CA 0.448 56.771 56.287 0.060 0.000 1.102 482 K CB 0.045 32.563 32.500 0.031 0.000 0.848 482 K HN 0.664 nan 8.250 nan 0.000 0.487 483 D N 2.019 122.454 120.400 0.059 0.000 2.913 483 D HA -0.269 4.464 4.640 0.155 0.000 0.228 483 D C -0.625 175.709 176.300 0.057 0.000 1.180 483 D CA 1.616 55.646 54.000 0.050 0.000 0.761 483 D CB -1.472 39.352 40.800 0.041 0.000 1.085 483 D HN 1.000 nan 8.370 nan 0.000 0.420 484 N N -1.034 117.715 118.700 0.082 0.000 2.710 484 N HA -0.218 4.615 4.740 0.155 0.000 0.249 484 N C -0.812 174.713 175.510 0.024 0.000 1.059 484 N CA 1.127 54.221 53.050 0.073 0.000 0.720 484 N CB -0.892 37.622 38.487 0.046 0.000 0.983 484 N HN 0.294 nan 8.380 nan 0.000 0.544 485 T N 0.105 114.684 114.554 0.041 0.000 2.807 485 T HA 0.423 4.866 4.350 0.155 0.000 0.279 485 T C -0.003 174.636 174.700 -0.102 0.000 0.993 485 T CA -0.753 61.330 62.100 -0.028 0.000 0.970 485 T CB 2.445 71.320 68.868 0.012 0.000 0.950 485 T HN 0.086 nan 8.240 nan 0.000 0.441 486 L N 4.641 125.689 121.223 -0.291 0.000 2.433 486 L HA 0.300 4.733 4.340 0.155 0.000 0.284 486 L C 1.060 177.762 176.870 -0.279 0.000 1.120 486 L CA 0.255 54.762 54.840 -0.554 0.000 0.879 486 L CB -0.615 41.096 42.059 -0.579 0.000 1.232 486 L HN 0.929 nan 8.230 nan 0.000 0.454 487 S N 3.165 118.845 115.700 -0.034 0.000 2.587 487 S HA 0.105 4.668 4.470 0.155 0.000 0.252 487 S C 0.643 175.197 174.600 -0.077 0.000 1.282 487 S CA -0.327 57.887 58.200 0.024 0.000 0.977 487 S CB 0.125 63.398 63.200 0.121 0.000 1.015 487 S HN 0.662 nan 8.310 nan 0.000 0.557 488 N N 0.772 119.423 118.700 -0.082 0.000 2.908 488 N HA 0.188 5.021 4.740 0.155 0.000 0.316 488 N C 0.621 176.036 175.510 -0.157 0.000 1.619 488 N CA -0.152 52.831 53.050 -0.112 0.000 1.045 488 N CB 0.186 38.627 38.487 -0.076 0.000 1.357 488 N HN 0.561 nan 8.380 nan 0.000 0.501 489 V N -1.742 118.010 119.914 -0.270 0.000 3.461 489 V HA 0.242 4.455 4.120 0.155 0.000 0.267 489 V C 0.722 176.663 176.094 -0.256 0.000 1.186 489 V CA 0.756 62.856 62.300 -0.332 0.000 1.154 489 V CB -0.977 30.616 31.823 -0.382 0.000 0.802 489 V HN 0.072 nan 8.190 nan 0.000 0.474 490 F N 0.766 120.748 119.950 0.054 0.000 2.678 490 F HA 0.679 5.295 4.527 0.148 0.000 0.305 490 F C 2.318 178.104 175.800 -0.023 0.000 1.090 490 F CA -0.122 57.888 58.000 0.017 0.000 1.272 490 F CB -0.398 38.593 39.000 -0.016 0.000 1.060 490 F HN 0.172 nan 8.300 nan 0.000 0.576 491 A N 0.581 123.456 122.820 0.092 0.000 1.948 491 A HA -0.253 4.160 4.320 0.155 0.000 0.220 491 A C 1.978 179.590 177.584 0.047 0.000 1.177 491 A CA 2.338 54.399 52.037 0.039 0.000 0.636 491 A CB -0.516 18.483 19.000 -0.001 0.000 0.815 491 A HN 0.336 nan 8.150 nan 0.000 0.449 492 N N -1.190 117.545 118.700 0.058 0.000 2.282 492 N HA 0.014 4.847 4.740 0.155 0.000 0.185 492 N C 0.787 176.334 175.510 0.061 0.000 1.099 492 N CA 1.064 54.146 53.050 0.054 0.000 0.878 492 N CB -0.035 38.480 38.487 0.046 0.000 0.993 492 N HN 0.538 nan 8.380 nan 0.000 0.481 493 T N -2.065 112.538 114.554 0.083 0.000 3.953 493 T HA 0.055 4.498 4.350 0.155 0.000 0.236 493 T C 1.276 175.990 174.700 0.024 0.000 0.861 493 T CA -0.007 62.128 62.100 0.059 0.000 0.909 493 T CB -0.722 68.203 68.868 0.095 0.000 1.240 493 T HN -0.085 nan 8.240 nan 0.000 0.683 494 T N 2.323 116.894 114.554 0.029 0.000 2.653 494 T HA -0.158 4.284 4.350 0.155 0.000 0.268 494 T C 1.732 176.439 174.700 0.012 0.000 1.035 494 T CA 1.455 63.572 62.100 0.028 0.000 1.154 494 T CB -0.307 68.590 68.868 0.049 0.000 0.862 494 T HN 0.509 nan 8.240 nan 0.000 0.441 495 N N 1.122 119.826 118.700 0.006 0.000 2.362 495 N HA 0.122 4.955 4.740 0.155 0.000 0.204 495 N C -0.389 175.110 175.510 -0.018 0.000 1.166 495 N CA -0.042 53.009 53.050 0.002 0.000 0.831 495 N CB -0.218 38.273 38.487 0.007 0.000 1.008 495 N HN 0.269 nan 8.380 nan 0.000 0.472 496 L N 0.748 121.945 121.223 -0.044 0.000 2.453 496 L HA 0.018 4.451 4.340 0.155 0.000 0.272 496 L C 1.736 178.566 176.870 -0.068 0.000 1.182 496 L CA 0.831 55.626 54.840 -0.075 0.000 0.858 496 L CB 0.900 42.878 42.059 -0.134 0.000 1.120 496 L HN 0.148 nan 8.230 nan 0.000 0.474 497 T N -0.264 114.266 114.554 -0.039 0.000 3.010 497 T HA 0.229 4.672 4.350 0.155 0.000 0.252 497 T C 0.075 174.778 174.700 0.006 0.000 0.963 497 T CA -0.076 62.014 62.100 -0.018 0.000 0.952 497 T CB -0.033 68.848 68.868 0.022 0.000 1.182 497 T HN 0.128 nan 8.240 nan 0.000 0.495 498 F N 2.123 121.996 119.950 -0.130 0.000 2.507 498 F HA 0.721 5.230 4.527 -0.031 0.000 0.328 498 F C -1.755 173.931 175.800 -0.188 0.000 1.136 498 F CA -1.631 56.285 58.000 -0.139 0.000 0.930 498 F CB 1.879 40.822 39.000 -0.095 0.000 1.166 498 F HN 0.101 nan 8.300 nan 0.000 0.436 499 L N 6.865 127.798 121.223 -0.483 0.000 2.439 499 L HA 0.501 4.934 4.340 0.155 0.000 0.270 499 L C -1.934 174.683 176.870 -0.422 0.000 0.972 499 L CA -0.246 54.373 54.840 -0.367 0.000 0.836 499 L CB 1.692 43.485 42.059 -0.443 0.000 1.255 499 L HN 0.591 nan 8.230 nan 0.000 0.404 500 D N 5.467 125.746 120.400 -0.201 0.000 2.446 500 D HA 0.304 5.037 4.640 0.155 0.000 0.251 500 D C -0.393 175.877 176.300 -0.051 0.000 1.137 500 D CA -0.135 53.784 54.000 -0.136 0.000 0.890 500 D CB 0.850 41.678 40.800 0.047 0.000 1.071 500 D HN 0.713 nan 8.370 nan 0.000 0.528 501 L N 2.745 123.938 121.223 -0.051 0.000 2.984 501 L HA 0.164 4.597 4.340 0.155 0.000 0.246 501 L C 0.978 177.846 176.870 -0.003 0.000 1.268 501 L CA -0.467 54.380 54.840 0.013 0.000 1.054 501 L CB -0.069 42.019 42.059 0.048 0.000 1.393 501 L HN 0.243 nan 8.230 nan 0.000 0.532 502 S N -0.063 115.626 115.700 -0.019 0.000 2.564 502 S HA 0.219 4.782 4.470 0.155 0.000 0.278 502 S C 0.728 175.325 174.600 -0.005 0.000 1.333 502 S CA -0.370 57.837 58.200 0.010 0.000 1.048 502 S CB 0.899 64.112 63.200 0.022 0.000 0.900 502 S HN 0.487 nan 8.310 nan 0.000 0.505 503 K N 0.416 120.850 120.400 0.056 0.000 3.230 503 K HA -0.143 4.270 4.320 0.155 0.000 0.285 503 K C -0.284 176.333 176.600 0.028 0.000 1.196 503 K CA 0.794 57.114 56.287 0.055 0.000 0.838 503 K CB -2.491 30.019 32.500 0.017 0.000 1.262 503 K HN 0.724 nan 8.250 nan 0.000 0.492 504 C N 1.788 121.110 119.300 0.036 0.000 2.353 504 C HA 0.103 4.656 4.460 0.155 0.000 0.338 504 C C 1.082 176.117 174.990 0.074 0.000 1.343 504 C CA -0.224 58.827 59.018 0.056 0.000 1.760 504 C CB -0.909 26.882 27.740 0.084 0.000 2.111 504 C HN 0.495 nan 8.230 nan 0.000 0.576 505 Q N -0.246 119.594 119.800 0.065 0.000 2.370 505 Q HA -0.231 4.202 4.340 0.155 0.000 0.266 505 Q C 0.031 176.057 176.000 0.043 0.000 1.094 505 Q CA 0.636 56.476 55.803 0.061 0.000 0.972 505 Q CB -1.278 27.500 28.738 0.066 0.000 1.413 505 Q HN 0.718 nan 8.270 nan 0.000 0.536 506 L N 0.008 121.241 121.223 0.016 0.000 2.467 506 L HA 0.002 4.435 4.340 0.155 0.000 0.270 506 L C 1.444 178.291 176.870 -0.038 0.000 1.205 506 L CA 0.779 55.599 54.840 -0.033 0.000 0.828 506 L CB 0.452 42.456 42.059 -0.091 0.000 1.101 506 L HN 0.226 nan 8.230 nan 0.000 0.479 507 E N -0.029 120.135 120.200 -0.060 0.000 2.489 507 E HA 0.158 4.601 4.350 0.155 0.000 0.208 507 E C -0.478 176.052 176.600 -0.117 0.000 0.814 507 E CA -0.026 56.335 56.400 -0.064 0.000 1.348 507 E CB 1.133 30.820 29.700 -0.022 0.000 1.334 507 E HN 0.572 nan 8.360 nan 0.000 0.672 508 Q N 0.480 120.211 119.800 -0.115 0.000 2.416 508 Q HA 0.520 4.952 4.340 0.155 0.000 0.281 508 Q C -1.286 174.617 176.000 -0.161 0.000 1.067 508 Q CA -0.490 55.236 55.803 -0.129 0.000 0.809 508 Q CB 3.055 31.769 28.738 -0.040 0.000 1.418 508 Q HN 0.007 nan 8.270 nan 0.000 0.411 509 I N 0.816 121.276 120.570 -0.184 0.000 2.433 509 I HA 0.366 4.629 4.170 0.155 0.000 0.292 509 I C -0.038 175.993 176.117 -0.144 0.000 1.001 509 I CA -0.586 60.535 61.300 -0.298 0.000 1.119 509 I CB 1.995 39.641 38.000 -0.590 0.000 1.289 509 I HN 0.453 nan 8.210 nan 0.000 0.438 510 S N 3.134 118.754 115.700 -0.133 0.000 2.624 510 S HA 0.078 4.641 4.470 0.155 0.000 0.263 510 S C 0.380 175.045 174.600 0.109 0.000 1.287 510 S CA -0.369 57.845 58.200 0.024 0.000 0.990 510 S CB 1.086 64.282 63.200 -0.007 0.000 0.950 510 S HN 0.683 nan 8.310 nan 0.000 0.561 511 W N 2.417 123.724 121.300 0.012 0.000 2.316 511 W HA 0.044 4.799 4.660 0.158 0.000 0.324 511 W C 1.970 178.484 176.519 -0.007 0.000 1.196 511 W CA 1.740 59.105 57.345 0.033 0.000 1.232 511 W CB -1.091 28.361 29.460 -0.014 0.000 1.191 511 W HN 0.685 nan 8.180 nan 0.000 0.453 512 G N 0.308 108.958 108.800 -0.251 0.000 3.374 512 G HA2 0.141 4.194 3.960 0.155 0.000 0.252 512 G HA3 0.141 4.194 3.960 0.155 0.000 0.252 512 G C 0.902 175.599 174.900 -0.338 0.000 1.326 512 G CA 0.314 45.111 45.100 -0.505 0.000 1.133 512 G HN 0.198 nan 8.290 nan 0.000 0.528 513 V N -0.150 119.541 119.914 -0.371 0.000 2.295 513 V HA -0.088 4.125 4.120 0.155 0.000 0.246 513 V C 1.806 177.653 176.094 -0.411 0.000 1.049 513 V CA 1.445 63.473 62.300 -0.453 0.000 1.024 513 V CB -0.444 30.906 31.823 -0.787 0.000 0.648 513 V HN 0.535 nan 8.190 nan 0.000 0.447 514 F N -0.644 119.158 119.950 -0.248 0.000 2.668 514 F HA 0.210 4.828 4.527 0.151 0.000 0.297 514 F C 1.364 176.956 175.800 -0.347 0.000 1.124 514 F CA -0.140 57.682 58.000 -0.297 0.000 1.353 514 F CB 0.162 38.944 39.000 -0.362 0.000 0.992 514 F HN 0.126 nan 8.300 nan 0.000 0.524 515 D N -0.511 119.765 120.400 -0.206 0.000 2.340 515 D HA -0.014 4.719 4.640 0.155 0.000 0.220 515 D C 1.641 177.719 176.300 -0.370 0.000 1.039 515 D CA 0.948 54.765 54.000 -0.306 0.000 0.866 515 D CB 0.301 40.911 40.800 -0.316 0.000 0.913 515 D HN 0.041 nan 8.370 nan 0.000 0.523 516 T N -0.920 113.445 114.554 -0.315 0.000 2.975 516 T HA 0.186 4.629 4.350 0.155 0.000 0.257 516 T C 0.975 175.474 174.700 -0.336 0.000 1.003 516 T CA -0.201 61.741 62.100 -0.263 0.000 0.932 516 T CB 0.497 69.335 68.868 -0.049 0.000 1.087 516 T HN 0.030 nan 8.240 nan 0.000 0.512 517 L N 2.627 123.646 121.223 -0.341 0.000 2.511 517 L HA 0.248 4.681 4.340 0.155 0.000 0.239 517 L C 0.530 177.250 176.870 -0.250 0.000 1.400 517 L CA -0.016 54.685 54.840 -0.231 0.000 1.226 517 L CB -0.930 41.010 42.059 -0.198 0.000 1.475 517 L HN 0.288 nan 8.230 nan 0.000 0.428 518 H N -0.069 118.984 119.070 -0.029 0.000 2.572 518 H HA 0.099 4.749 4.556 0.157 0.000 0.278 518 H C 1.756 177.100 175.328 0.028 0.000 1.050 518 H CA 0.264 56.326 56.048 0.024 0.000 1.168 518 H CB 0.058 29.879 29.762 0.098 0.000 1.316 518 H HN 0.363 nan 8.280 nan 0.000 0.610 519 R N -0.156 120.373 120.500 0.050 0.000 2.551 519 R HA 0.100 4.533 4.340 0.155 0.000 0.316 519 R C -0.455 175.830 176.300 -0.024 0.000 0.934 519 R CA -0.297 55.821 56.100 0.030 0.000 1.117 519 R CB 0.583 30.905 30.300 0.037 0.000 1.626 519 R HN 0.139 nan 8.270 nan 0.000 0.513 520 L N 1.908 123.084 121.223 -0.079 0.000 2.490 520 L HA -0.016 4.417 4.340 0.155 0.000 0.274 520 L C 0.932 177.733 176.870 -0.114 0.000 1.201 520 L CA 1.140 55.903 54.840 -0.128 0.000 0.869 520 L CB 1.018 42.947 42.059 -0.216 0.000 1.123 520 L HN 0.170 nan 8.230 nan 0.000 0.484 521 Q N 3.520 123.254 119.800 -0.111 0.000 2.471 521 Q HA 0.278 4.711 4.340 0.155 0.000 0.241 521 Q C -0.801 175.111 176.000 -0.147 0.000 0.886 521 Q CA -0.081 55.667 55.803 -0.092 0.000 0.953 521 Q CB 0.798 29.512 28.738 -0.041 0.000 1.108 521 Q HN 0.454 nan 8.270 nan 0.000 0.575 522 L N 1.394 122.487 121.223 -0.216 0.000 2.436 522 L HA 0.565 4.998 4.340 0.155 0.000 0.268 522 L C -2.068 174.515 176.870 -0.479 0.000 0.974 522 L CA -0.935 53.708 54.840 -0.329 0.000 0.826 522 L CB 1.942 43.799 42.059 -0.337 0.000 1.291 522 L HN 0.095 nan 8.230 nan 0.000 0.406 523 L N 5.597 126.557 121.223 -0.439 0.000 2.441 523 L HA 0.572 5.005 4.340 0.155 0.000 0.270 523 L C -1.363 175.290 176.870 -0.362 0.000 0.973 523 L CA -0.081 54.483 54.840 -0.459 0.000 0.842 523 L CB 1.618 43.387 42.059 -0.482 0.000 1.239 523 L HN 0.710 nan 8.230 nan 0.000 0.406 524 N N 5.925 124.416 118.700 -0.347 0.000 2.501 524 N HA 0.399 5.232 4.740 0.155 0.000 0.245 524 N C -0.657 174.781 175.510 -0.120 0.000 0.974 524 N CA -0.194 52.732 53.050 -0.206 0.000 0.941 524 N CB 1.134 39.507 38.487 -0.190 0.000 1.122 524 N HN 0.799 nan 8.380 nan 0.000 0.507 525 M N 1.440 121.000 119.600 -0.067 0.000 2.869 525 M HA 0.079 4.652 4.480 0.155 0.000 0.353 525 M C 0.598 176.913 176.300 0.026 0.000 1.224 525 M CA -0.380 54.913 55.300 -0.011 0.000 0.917 525 M CB 0.161 32.769 32.600 0.013 0.000 1.322 525 M HN 0.394 nan 8.290 nan 0.000 0.516 526 S N -0.982 114.740 115.700 0.037 0.000 2.593 526 S HA 0.185 4.748 4.470 0.155 0.000 0.269 526 S C 0.190 174.886 174.600 0.159 0.000 1.334 526 S CA 0.061 58.301 58.200 0.068 0.000 1.015 526 S CB 0.208 63.452 63.200 0.073 0.000 0.912 526 S HN 0.694 nan 8.310 nan 0.000 0.541 527 H N 0.087 119.177 119.070 0.034 0.000 2.750 527 H HA -0.103 4.546 4.556 0.155 0.000 0.327 527 H C 0.115 175.478 175.328 0.058 0.000 1.199 527 H CA 1.062 57.150 56.048 0.067 0.000 1.149 527 H CB -2.049 27.729 29.762 0.027 0.000 1.543 527 H HN 0.613 nan 8.280 nan 0.000 0.427 528 N N -0.119 118.649 118.700 0.113 0.000 3.254 528 N HA 0.340 5.173 4.740 0.155 0.000 0.344 528 N C 0.498 176.039 175.510 0.052 0.000 1.417 528 N CA -0.635 52.458 53.050 0.072 0.000 0.646 528 N CB 0.655 39.161 38.487 0.032 0.000 1.493 528 N HN 0.259 nan 8.380 nan 0.000 0.547 529 N N 0.440 119.150 118.700 0.017 0.000 2.387 529 N HA 0.254 5.087 4.740 0.155 0.000 0.259 529 N C -0.794 174.692 175.510 -0.039 0.000 1.369 529 N CA 0.053 53.105 53.050 0.004 0.000 0.867 529 N CB 1.276 39.772 38.487 0.014 0.000 1.341 529 N HN 0.315 nan 8.380 nan 0.000 0.495 530 L N 1.234 122.420 121.223 -0.062 0.000 2.453 530 L HA 0.170 4.603 4.340 0.155 0.000 0.272 530 L C 1.617 178.409 176.870 -0.131 0.000 1.182 530 L CA 0.096 54.849 54.840 -0.145 0.000 0.858 530 L CB 0.767 42.749 42.059 -0.128 0.000 1.120 530 L HN 0.014 nan 8.230 nan 0.000 0.474 531 L N 3.500 124.596 121.223 -0.213 0.000 2.554 531 L HA 0.255 4.688 4.340 0.155 0.000 0.225 531 L C -0.009 176.906 176.870 0.074 0.000 1.104 531 L CA 0.116 54.934 54.840 -0.036 0.000 0.866 531 L CB -0.082 42.039 42.059 0.104 0.000 1.047 531 L HN 0.599 nan 8.230 nan 0.000 0.468 532 F N -1.863 118.081 119.950 -0.010 0.000 2.926 532 F HA 0.684 5.307 4.527 0.159 0.000 0.321 532 F C -1.773 174.054 175.800 0.044 0.000 1.168 532 F CA -1.656 56.318 58.000 -0.045 0.000 0.890 532 F CB 1.105 40.071 39.000 -0.058 0.000 1.357 532 F HN -0.365 nan 8.300 nan 0.000 0.468 533 L N 1.590 123.019 121.223 0.343 0.000 2.438 533 L HA 0.408 4.841 4.340 0.155 0.000 0.270 533 L C -1.372 175.787 176.870 0.481 0.000 0.972 533 L CA -0.538 54.544 54.840 0.404 0.000 0.831 533 L CB 1.797 44.091 42.059 0.392 0.000 1.273 533 L HN 0.588 nan 8.230 nan 0.000 0.405 534 D N 1.199 121.935 120.400 0.560 0.000 2.393 534 D HA 0.144 4.877 4.640 0.155 0.000 0.232 534 D C 0.978 177.388 176.300 0.183 0.000 1.192 534 D CA 0.120 54.295 54.000 0.291 0.000 0.882 534 D CB 1.316 42.178 40.800 0.104 0.000 1.038 534 D HN 0.525 nan 8.370 nan 0.000 0.499 535 S N 1.651 117.333 115.700 -0.030 0.000 2.413 535 S HA -0.284 4.279 4.470 0.155 0.000 0.237 535 S C 2.050 176.485 174.600 -0.276 0.000 1.044 535 S CA 1.611 59.499 58.200 -0.520 0.000 1.024 535 S CB -0.213 62.496 63.200 -0.818 0.000 0.829 535 S HN 0.673 nan 8.310 nan 0.000 0.475 536 S N 1.416 117.022 115.700 -0.156 0.000 2.419 536 S HA -0.185 4.378 4.470 0.155 0.000 0.233 536 S C 1.612 176.073 174.600 -0.231 0.000 1.016 536 S CA 0.975 59.096 58.200 -0.131 0.000 0.974 536 S CB -0.715 62.467 63.200 -0.031 0.000 0.786 536 S HN 0.576 nan 8.310 nan 0.000 0.492 537 H N 0.672 119.608 119.070 -0.223 0.000 2.352 537 H HA -0.046 4.605 4.556 0.158 0.000 0.299 537 H C 1.451 176.448 175.328 -0.552 0.000 1.097 537 H CA 1.847 57.609 56.048 -0.477 0.000 1.311 537 H CB -0.442 28.883 29.762 -0.728 0.000 1.377 537 H HN 0.658 nan 8.280 nan 0.000 0.504 538 Y N 0.375 120.670 120.300 -0.007 0.000 2.500 538 Y HA 0.041 4.681 4.550 0.150 0.000 0.270 538 Y C 1.465 177.250 175.900 -0.193 0.000 1.134 538 Y CA -0.393 57.650 58.100 -0.096 0.000 1.293 538 Y CB -0.081 38.367 38.460 -0.022 0.000 1.063 538 Y HN 0.138 nan 8.280 nan 0.000 0.534 539 N N 1.281 119.902 118.700 -0.131 0.000 2.344 539 N HA -0.142 4.691 4.740 0.155 0.000 0.236 539 N C 0.172 175.449 175.510 -0.389 0.000 1.279 539 N CA 0.683 53.588 53.050 -0.241 0.000 0.882 539 N CB 0.403 38.736 38.487 -0.258 0.000 1.110 539 N HN 0.275 nan 8.380 nan 0.000 0.436 540 Q N -0.152 119.236 119.800 -0.687 0.000 2.342 540 Q HA -0.191 4.242 4.340 0.155 0.000 0.196 540 Q C -0.512 174.986 176.000 -0.837 0.000 0.629 540 Q CA 0.957 56.215 55.803 -0.908 0.000 1.365 540 Q CB -1.469 27.003 28.738 -0.444 0.000 1.406 540 Q HN 0.664 nan 8.270 nan 0.000 0.840 541 L N 1.263 122.125 121.223 -0.601 0.000 2.657 541 L HA 0.212 4.645 4.340 0.155 0.000 0.239 541 L C 0.900 177.636 176.870 -0.223 0.000 1.215 541 L CA -0.204 54.428 54.840 -0.347 0.000 1.161 541 L CB -0.413 41.511 42.059 -0.226 0.000 1.436 541 L HN 0.133 nan 8.230 nan 0.000 0.414 542 Y N -1.074 119.241 120.300 0.024 0.000 2.639 542 Y HA -0.145 4.499 4.550 0.156 0.000 0.297 542 Y C 2.328 178.234 175.900 0.010 0.000 1.151 542 Y CA 0.384 58.504 58.100 0.032 0.000 1.335 542 Y CB 0.257 38.754 38.460 0.062 0.000 0.994 542 Y HN 0.432 nan 8.280 nan 0.000 0.548 543 S N -0.580 115.174 115.700 0.091 0.000 2.603 543 S HA 0.141 4.704 4.470 0.155 0.000 0.232 543 S C 0.131 174.726 174.600 -0.010 0.000 1.016 543 S CA -0.428 57.801 58.200 0.048 0.000 0.976 543 S CB -0.077 63.150 63.200 0.044 0.000 0.921 543 S HN 0.156 nan 8.310 nan 0.000 0.516 544 L N 2.838 124.033 121.223 -0.046 0.000 2.455 544 L HA 0.282 4.715 4.340 0.155 0.000 0.272 544 L C 1.141 177.969 176.870 -0.070 0.000 1.174 544 L CA 0.663 55.447 54.840 -0.093 0.000 0.869 544 L CB 1.039 43.016 42.059 -0.138 0.000 1.130 544 L HN 0.203 nan 8.230 nan 0.000 0.474 545 S N 1.519 117.178 115.700 -0.069 0.000 2.691 545 S HA 0.229 4.792 4.470 0.155 0.000 0.241 545 S C 0.597 175.201 174.600 0.007 0.000 1.077 545 S CA 0.217 58.412 58.200 -0.008 0.000 0.900 545 S CB 0.154 63.360 63.200 0.010 0.000 0.805 545 S HN 0.626 nan 8.310 nan 0.000 0.529 546 T N 2.502 117.008 114.554 -0.081 0.000 2.792 546 T HA 0.605 5.048 4.350 0.155 0.000 0.280 546 T C -1.300 173.294 174.700 -0.176 0.000 0.990 546 T CA -0.452 61.598 62.100 -0.082 0.000 0.960 546 T CB 1.487 70.278 68.868 -0.128 0.000 0.939 546 T HN 0.338 nan 8.240 nan 0.000 0.439 547 L N 3.683 124.792 121.223 -0.189 0.000 2.377 547 L HA 0.427 4.860 4.340 0.155 0.000 0.270 547 L C -1.107 175.713 176.870 -0.084 0.000 0.991 547 L CA -0.717 53.955 54.840 -0.281 0.000 0.851 547 L CB 1.185 42.861 42.059 -0.638 0.000 1.218 547 L HN 0.558 nan 8.230 nan 0.000 0.420 548 D N 3.597 123.963 120.400 -0.057 0.000 2.317 548 D HA 0.230 4.963 4.640 0.155 0.000 0.234 548 D C -0.320 176.014 176.300 0.057 0.000 1.112 548 D CA -0.174 53.846 54.000 0.034 0.000 0.840 548 D CB 1.129 41.925 40.800 -0.007 0.000 1.078 548 D HN 0.493 nan 8.370 nan 0.000 0.486 549 C N 3.554 122.937 119.300 0.139 0.000 2.741 549 C HA 0.265 4.817 4.460 0.155 0.000 0.267 549 C C 0.721 175.772 174.990 0.103 0.000 1.549 549 C CA -0.567 58.524 59.018 0.120 0.000 1.772 549 C CB -1.774 26.076 27.740 0.183 0.000 2.962 549 C HN 0.639 nan 8.230 nan 0.000 0.514 550 S N 0.163 115.928 115.700 0.107 0.000 2.585 550 S HA 0.563 5.126 4.470 0.155 0.000 0.273 550 S C -0.155 174.590 174.600 0.241 0.000 1.339 550 S CA 0.143 58.464 58.200 0.201 0.000 1.028 550 S CB 0.014 63.348 63.200 0.223 0.000 0.906 550 S HN 0.490 nan 8.310 nan 0.000 0.528 551 F N 0.663 120.509 119.950 -0.173 0.000 2.259 551 F HA -0.113 4.516 4.527 0.169 0.000 0.309 551 F C 0.345 176.050 175.800 -0.159 0.000 1.079 551 F CA 0.329 58.191 58.000 -0.229 0.000 1.099 551 F CB -2.164 36.518 39.000 -0.530 0.000 1.521 551 F HN 0.804 nan 8.300 nan 0.000 0.783 552 N N 0.711 119.438 118.700 0.046 0.000 3.106 552 N HA 0.389 5.222 4.740 0.155 0.000 0.253 552 N C -0.095 175.417 175.510 0.003 0.000 1.506 552 N CA -0.994 52.072 53.050 0.027 0.000 0.876 552 N CB 1.629 40.129 38.487 0.022 0.000 1.452 552 N HN 0.296 nan 8.380 nan 0.000 0.542 553 R N 0.890 121.390 120.500 0.000 0.000 3.179 553 R HA 0.426 4.859 4.340 0.155 0.000 0.317 553 R C -0.261 176.038 176.300 -0.001 0.000 1.331 553 R CA -0.117 55.983 56.100 0.001 0.000 1.184 553 R CB -0.394 29.912 30.300 0.010 0.000 1.408 553 R HN 0.413 nan 8.270 nan 0.000 0.598 554 I N 1.688 122.251 120.570 -0.011 0.000 2.329 554 I HA -0.001 4.261 4.170 0.155 0.000 0.295 554 I C 1.289 177.386 176.117 -0.033 0.000 1.109 554 I CA 0.072 61.360 61.300 -0.020 0.000 1.297 554 I CB 0.828 38.813 38.000 -0.025 0.000 1.433 554 I HN 0.237 nan 8.210 nan 0.000 0.509 555 E N 3.736 123.921 120.200 -0.025 0.000 2.031 555 E HA -0.120 4.323 4.350 0.155 0.000 0.193 555 E C 0.620 177.066 176.600 -0.257 0.000 0.994 555 E CA 1.472 57.828 56.400 -0.074 0.000 0.800 555 E CB 0.126 29.810 29.700 -0.026 0.000 0.752 555 E HN 0.833 nan 8.360 nan 0.000 0.447 556 T N -3.255 111.061 114.554 -0.396 0.000 2.658 556 T HA 0.324 4.767 4.350 0.155 0.000 0.306 556 T C -0.674 173.587 174.700 -0.732 0.000 1.544 556 T CA -0.862 60.700 62.100 -0.896 0.000 0.991 556 T CB 1.637 69.812 68.868 -1.154 0.000 1.774 556 T HN 0.006 nan 8.240 nan 0.000 0.479 557 S N -0.423 114.592 115.700 -1.141 0.000 2.664 557 S HA 0.836 5.399 4.470 0.155 0.000 0.304 557 S C -1.167 173.301 174.600 -0.220 0.000 1.099 557 S CA -0.615 57.363 58.200 -0.369 0.000 1.003 557 S CB 1.245 64.395 63.200 -0.082 0.000 1.092 557 S HN 1.010 nan 8.310 nan 0.000 0.525 558 K N 0.375 120.750 120.400 -0.041 0.000 2.546 558 K HA 0.603 5.016 4.320 0.155 0.000 0.264 558 K C -0.692 175.887 176.600 -0.035 0.000 0.937 558 K CA 0.326 56.593 56.287 -0.033 0.000 0.833 558 K CB 1.505 33.964 32.500 -0.068 0.000 1.378 558 K HN 1.138 nan 8.250 nan 0.000 0.432 559 G N 4.066 112.832 108.800 -0.057 0.000 2.867 559 G HA2 0.105 4.158 3.960 0.155 0.000 0.182 559 G HA3 0.105 4.158 3.960 0.155 0.000 0.182 559 G C -0.721 174.098 174.900 -0.135 0.000 1.029 559 G CA -0.500 44.555 45.100 -0.075 0.000 1.093 559 G HN 0.918 nan 8.290 nan 0.000 0.585 560 I N 0.157 120.629 120.570 -0.162 0.000 8.182 560 I HA -0.194 4.069 4.170 0.155 0.000 0.126 560 I C 1.208 177.162 176.117 -0.271 0.000 1.835 560 I CA 0.041 61.168 61.300 -0.288 0.000 2.072 560 I CB -1.149 36.452 38.000 -0.664 0.000 3.753 560 I HN 0.352 nan 8.210 nan 0.000 0.180 561 L N 5.307 126.422 121.223 -0.179 0.000 2.291 561 L HA -0.116 4.317 4.340 0.155 0.000 0.214 561 L C 2.232 179.113 176.870 0.018 0.000 1.120 561 L CA 1.664 56.367 54.840 -0.228 0.000 0.799 561 L CB -0.680 41.101 42.059 -0.463 0.000 0.925 561 L HN 0.625 nan 8.230 nan 0.000 0.446 562 Q N -1.475 118.347 119.800 0.037 0.000 2.437 562 Q HA -0.120 4.313 4.340 0.155 0.000 0.210 562 Q C 1.822 177.941 176.000 0.198 0.000 0.972 562 Q CA 0.846 56.739 55.803 0.150 0.000 0.903 562 Q CB -0.461 28.330 28.738 0.088 0.000 0.967 562 Q HN 0.576 nan 8.270 nan 0.000 0.486 563 H N -1.584 117.485 119.070 -0.002 0.000 2.548 563 H HA 0.071 4.720 4.556 0.155 0.000 0.268 563 H C -0.256 175.034 175.328 -0.063 0.000 0.975 563 H CA -0.727 55.286 56.048 -0.058 0.000 1.195 563 H CB 0.230 29.909 29.762 -0.138 0.000 1.397 563 H HN 0.165 nan 8.280 nan 0.000 0.572 564 F N 2.029 122.075 119.950 0.159 0.000 2.563 564 F HA 0.042 4.661 4.527 0.153 0.000 0.363 564 F C -1.652 174.199 175.800 0.085 0.000 1.123 564 F CA -2.231 55.830 58.000 0.102 0.000 1.307 564 F CB 0.184 39.258 39.000 0.122 0.000 1.115 564 F HN -0.018 nan 8.300 nan 0.000 0.592 565 P HA 0.020 nan 4.420 nan 0.000 0.268 565 P C -0.325 177.035 177.300 0.099 0.000 1.204 565 P CA -0.032 63.145 63.100 0.129 0.000 0.768 565 P CB 0.527 32.257 31.700 0.052 0.000 0.842 566 K N 0.876 121.333 120.400 0.094 0.000 2.505 566 K HA 0.011 4.424 4.320 0.155 0.000 0.192 566 K C 1.213 177.797 176.600 -0.026 0.000 1.025 566 K CA 0.464 56.767 56.287 0.026 0.000 1.086 566 K CB -0.047 32.487 32.500 0.057 0.000 0.840 566 K HN 0.487 nan 8.250 nan 0.000 0.514 567 S N -0.116 115.582 115.700 -0.004 0.000 2.503 567 S HA 0.051 4.614 4.470 0.155 0.000 0.215 567 S C 0.591 175.158 174.600 -0.057 0.000 1.003 567 S CA -0.446 57.745 58.200 -0.015 0.000 0.910 567 S CB -0.077 63.138 63.200 0.025 0.000 0.790 567 S HN 0.157 nan 8.310 nan 0.000 0.514 568 L N 1.909 123.073 121.223 -0.099 0.000 2.418 568 L HA 0.594 5.027 4.340 0.155 0.000 0.274 568 L C 0.766 177.508 176.870 -0.213 0.000 1.135 568 L CA 0.347 55.107 54.840 -0.134 0.000 0.870 568 L CB 0.880 42.827 42.059 -0.186 0.000 1.154 568 L HN 0.208 nan 8.230 nan 0.000 0.462 569 A N 4.541 127.337 122.820 -0.040 0.000 2.074 569 A HA 0.338 4.750 4.320 0.155 0.000 0.200 569 A C 0.014 177.554 177.584 -0.074 0.000 1.335 569 A CA 0.033 52.030 52.037 -0.065 0.000 0.922 569 A CB 0.153 19.211 19.000 0.096 0.000 0.972 569 A HN 0.527 nan 8.150 nan 0.000 0.475 570 F N 0.019 119.984 119.950 0.026 0.000 2.403 570 F HA 0.610 5.236 4.527 0.164 0.000 0.355 570 F C -0.723 175.127 175.800 0.083 0.000 1.119 570 F CA -1.509 56.534 58.000 0.072 0.000 1.007 570 F CB 1.230 40.253 39.000 0.039 0.000 1.194 570 F HN 0.084 nan 8.300 nan 0.000 0.443 571 F N 4.172 124.166 119.950 0.073 0.000 2.458 571 F HA 0.461 5.080 4.527 0.154 0.000 0.336 571 F C -0.568 175.248 175.800 0.026 0.000 1.114 571 F CA -1.564 56.440 58.000 0.005 0.000 0.987 571 F CB 1.310 40.282 39.000 -0.048 0.000 1.130 571 F HN 0.344 nan 8.300 nan 0.000 0.458 572 N N 6.614 125.598 118.700 0.473 0.000 2.524 572 N HA 0.300 5.133 4.740 0.155 0.000 0.261 572 N C -0.775 174.802 175.510 0.112 0.000 0.998 572 N CA -0.138 53.033 53.050 0.201 0.000 0.915 572 N CB 0.903 39.492 38.487 0.170 0.000 1.187 572 N HN 0.765 nan 8.380 nan 0.000 0.507 573 L N 2.112 123.316 121.223 -0.031 0.000 3.066 573 L HA 0.164 4.597 4.340 0.155 0.000 0.265 573 L C 1.032 177.900 176.870 -0.004 0.000 1.232 573 L CA -0.289 54.519 54.840 -0.054 0.000 1.031 573 L CB 0.238 42.189 42.059 -0.180 0.000 1.379 573 L HN 0.478 nan 8.230 nan 0.000 0.563 574 T N -2.764 111.819 114.554 0.047 0.000 2.855 574 T HA 0.042 4.485 4.350 0.155 0.000 0.314 574 T C 0.713 175.394 174.700 -0.031 0.000 1.077 574 T CA -0.168 61.953 62.100 0.036 0.000 1.095 574 T CB 0.254 69.186 68.868 0.106 0.000 0.987 574 T HN 0.473 nan 8.240 nan 0.000 0.546 575 N N 2.716 121.310 118.700 -0.176 0.000 2.650 575 N HA -0.192 4.641 4.740 0.155 0.000 0.272 575 N C -0.293 175.053 175.510 -0.273 0.000 1.058 575 N CA 0.060 52.876 53.050 -0.389 0.000 0.765 575 N CB -0.666 37.180 38.487 -1.068 0.000 0.902 575 N HN 0.609 nan 8.380 nan 0.000 0.551 576 N N 0.046 118.664 118.700 -0.136 0.000 2.677 576 N HA 0.391 5.224 4.740 0.155 0.000 0.256 576 N C 0.209 175.684 175.510 -0.058 0.000 1.441 576 N CA 0.273 53.276 53.050 -0.077 0.000 0.902 576 N CB 0.582 39.048 38.487 -0.035 0.000 1.540 576 N HN 0.344 nan 8.380 nan 0.000 0.382 577 S N -0.274 115.411 115.700 -0.025 0.000 2.855 577 S HA 0.180 4.743 4.470 0.155 0.000 0.140 577 S C -1.225 173.382 174.600 0.012 0.000 1.025 577 S CA -0.746 57.449 58.200 -0.008 0.000 1.053 577 S CB -0.952 62.245 63.200 -0.006 0.000 1.695 577 S HN 0.104 nan 8.310 nan 0.000 0.502 578 V N 2.269 122.201 119.914 0.029 0.000 2.405 578 V HA 0.614 4.827 4.120 0.155 0.000 0.264 578 V C 1.184 177.332 176.094 0.089 0.000 1.048 578 V CA 0.064 62.401 62.300 0.062 0.000 0.966 578 V CB 0.167 32.065 31.823 0.125 0.000 1.015 578 V HN 0.976 nan 8.190 nan 0.000 0.477 579 A N 4.393 127.268 122.820 0.092 0.000 2.535 579 A HA 0.055 4.468 4.320 0.155 0.000 0.290 579 A C 1.011 178.755 177.584 0.266 0.000 1.270 579 A CA -0.180 51.965 52.037 0.179 0.000 0.937 579 A CB -0.760 18.394 19.000 0.256 0.000 1.096 579 A HN 0.978 nan 8.150 nan 0.000 0.534 580 c N 3.871 122.577 118.600 0.178 0.000 2.379 580 c HA 0.148 4.811 4.570 0.155 0.000 0.376 580 c C 1.117 175.292 174.090 0.141 0.000 1.323 580 c CA -0.485 55.942 56.329 0.163 0.000 1.575 580 c CB -2.747 39.827 42.510 0.107 0.000 1.661 580 c HN 0.667 nan 8.230 nan 0.000 0.594 581 I N -0.620 120.043 120.570 0.155 0.000 2.882 581 I HA 0.020 4.283 4.170 0.155 0.000 0.286 581 I C 1.553 177.683 176.117 0.021 0.000 1.139 581 I CA -0.189 61.142 61.300 0.051 0.000 1.379 581 I CB 0.414 38.393 38.000 -0.034 0.000 1.410 581 I HN 0.259 nan 8.210 nan 0.000 0.594 582 c N 2.108 120.702 118.600 -0.011 0.000 2.419 582 c HA -0.114 4.549 4.570 0.155 0.000 0.281 582 c C 2.553 176.613 174.090 -0.050 0.000 1.336 582 c CA 0.685 57.012 56.329 -0.004 0.000 1.770 582 c CB -1.157 41.352 42.510 -0.002 0.000 1.929 582 c HN 0.918 nan 8.230 nan 0.000 0.509 583 E N 0.630 120.726 120.200 -0.174 0.000 2.273 583 E HA -0.174 4.269 4.350 0.155 0.000 0.198 583 E C 1.157 177.612 176.600 -0.240 0.000 1.002 583 E CA 1.371 57.608 56.400 -0.272 0.000 0.828 583 E CB -0.333 29.110 29.700 -0.429 0.000 0.747 583 E HN 0.685 nan 8.360 nan 0.000 0.491 584 H N -0.207 118.915 119.070 0.086 0.000 2.472 584 H HA 0.135 4.785 4.556 0.156 0.000 0.287 584 H C 0.919 176.352 175.328 0.175 0.000 1.112 584 H CA 0.434 56.570 56.048 0.146 0.000 1.021 584 H CB 0.305 30.182 29.762 0.191 0.000 1.635 584 H HN 0.212 nan 8.280 nan 0.000 0.559 585 Q N 1.130 121.040 119.800 0.183 0.000 2.077 585 Q HA -0.168 4.265 4.340 0.155 0.000 0.206 585 Q C 1.871 177.963 176.000 0.153 0.000 0.989 585 Q CA 1.304 57.192 55.803 0.141 0.000 0.853 585 Q CB -0.150 28.643 28.738 0.090 0.000 0.907 585 Q HN 0.228 nan 8.270 nan 0.000 0.418 586 K N -0.251 120.249 120.400 0.167 0.000 2.009 586 K HA -0.148 4.265 4.320 0.155 0.000 0.210 586 K C 2.011 178.752 176.600 0.235 0.000 1.049 586 K CA 1.575 57.964 56.287 0.170 0.000 0.929 586 K CB -0.473 32.116 32.500 0.149 0.000 0.714 586 K HN 0.253 nan 8.250 nan 0.000 0.440 587 F N 2.018 122.063 119.950 0.159 0.000 2.134 587 F HA -0.159 4.460 4.527 0.154 0.000 0.299 587 F C 1.792 177.733 175.800 0.235 0.000 1.097 587 F CA 1.256 59.374 58.000 0.196 0.000 1.264 587 F CB -0.259 38.816 39.000 0.125 0.000 1.001 587 F HN -0.074 nan 8.300 nan 0.000 0.479 588 L N -0.106 121.131 121.223 0.023 0.000 2.191 588 L HA -0.202 4.231 4.340 0.155 0.000 0.212 588 L C 2.555 179.348 176.870 -0.128 0.000 1.103 588 L CA 0.844 55.611 54.840 -0.120 0.000 0.769 588 L CB -0.726 41.369 42.059 0.061 0.000 0.908 588 L HN 0.207 nan 8.230 nan 0.000 0.438 589 Q N -0.963 118.823 119.800 -0.023 0.000 2.083 589 Q HA -0.223 4.210 4.340 0.155 0.000 0.198 589 Q C 1.907 177.898 176.000 -0.014 0.000 0.969 589 Q CA 1.442 57.236 55.803 -0.016 0.000 0.838 589 Q CB -0.396 28.366 28.738 0.039 0.000 0.900 589 Q HN 0.580 nan 8.270 nan 0.000 0.436 590 W N 1.200 122.406 121.300 -0.156 0.000 2.325 590 W HA -0.224 4.527 4.660 0.152 0.000 0.299 590 W C 1.838 178.231 176.519 -0.210 0.000 1.215 590 W CA 1.617 58.884 57.345 -0.130 0.000 1.244 590 W CB -0.257 29.169 29.460 -0.057 0.000 1.140 590 W HN -0.099 nan 8.180 nan 0.000 0.523 591 V N 1.127 120.819 119.914 -0.370 0.000 2.453 591 V HA -0.343 3.870 4.120 0.155 0.000 0.252 591 V C 2.236 178.088 176.094 -0.405 0.000 1.068 591 V CA 2.357 64.365 62.300 -0.486 0.000 1.070 591 V CB -0.871 30.702 31.823 -0.417 0.000 0.664 591 V HN 0.230 nan 8.190 nan 0.000 0.461 592 K N -0.160 120.060 120.400 -0.300 0.000 2.056 592 K HA -0.081 4.332 4.320 0.155 0.000 0.205 592 K C 2.248 178.699 176.600 -0.248 0.000 1.035 592 K CA 0.958 57.101 56.287 -0.240 0.000 0.955 592 K CB -0.298 32.098 32.500 -0.173 0.000 0.769 592 K HN 0.410 nan 8.250 nan 0.000 0.447 593 E N 1.065 121.140 120.200 -0.209 0.000 2.164 593 E HA -0.248 4.195 4.350 0.155 0.000 0.206 593 E C 0.600 177.058 176.600 -0.236 0.000 1.032 593 E CA 1.425 57.724 56.400 -0.169 0.000 0.832 593 E CB 0.237 29.892 29.700 -0.076 0.000 0.742 593 E HN 0.196 nan 8.360 nan 0.000 0.460 594 Q N 0.114 119.650 119.800 -0.440 0.000 2.302 594 Q HA 0.120 4.553 4.340 0.155 0.000 0.332 594 Q C 0.688 176.438 176.000 -0.417 0.000 0.913 594 Q CA -0.089 55.485 55.803 -0.382 0.000 1.098 594 Q CB 0.979 29.311 28.738 -0.676 0.000 1.236 594 Q HN 0.238 nan 8.270 nan 0.000 0.436 595 K N 1.311 121.474 120.400 -0.395 0.000 1.977 595 K HA -0.259 4.154 4.320 0.155 0.000 0.218 595 K C 1.190 177.564 176.600 -0.377 0.000 1.051 595 K CA 2.163 58.238 56.287 -0.354 0.000 0.953 595 K CB 0.362 32.686 32.500 -0.293 0.000 0.727 595 K HN 0.168 nan 8.250 nan 0.000 0.445 596 Q N -0.427 119.063 119.800 -0.517 0.000 2.368 596 Q HA -0.118 4.315 4.340 0.155 0.000 0.210 596 Q C 1.553 177.242 176.000 -0.518 0.000 0.982 596 Q CA 1.423 56.899 55.803 -0.546 0.000 0.884 596 Q CB -0.247 28.094 28.738 -0.662 0.000 0.933 596 Q HN 0.329 nan 8.270 nan 0.000 0.460 597 F N -0.011 119.788 119.950 -0.251 0.000 2.698 597 F HA 0.225 4.845 4.527 0.154 0.000 0.295 597 F C 0.483 176.175 175.800 -0.180 0.000 1.124 597 F CA -0.394 57.459 58.000 -0.244 0.000 1.426 597 F CB -0.041 38.838 39.000 -0.200 0.000 1.120 597 F HN -0.061 nan 8.300 nan 0.000 0.583 598 L N 0.151 121.340 121.223 -0.058 0.000 2.350 598 L HA 0.367 4.800 4.340 0.155 0.000 0.275 598 L C 0.056 176.890 176.870 -0.060 0.000 1.099 598 L CA -0.746 54.052 54.840 -0.071 0.000 0.808 598 L CB 1.358 43.299 42.059 -0.196 0.000 1.149 598 L HN -0.312 nan 8.230 nan 0.000 0.442 599 V N 4.891 124.806 119.914 0.001 0.000 2.461 599 V HA 0.203 4.415 4.120 0.155 0.000 0.275 599 V C 0.318 176.410 176.094 -0.003 0.000 1.047 599 V CA -0.383 61.929 62.300 0.021 0.000 0.955 599 V CB 0.472 32.356 31.823 0.102 0.000 0.988 599 V HN 1.028 nan 8.190 nan 0.000 0.471 600 N N 3.249 121.938 118.700 -0.018 0.000 2.735 600 N HA -0.183 4.650 4.740 0.155 0.000 0.248 600 N C 0.954 176.434 175.510 -0.050 0.000 1.083 600 N CA 0.878 53.913 53.050 -0.026 0.000 0.703 600 N CB -1.538 36.949 38.487 -0.000 0.000 1.005 600 N HN 0.602 nan 8.380 nan 0.000 0.550 601 V N 0.253 120.119 119.914 -0.080 0.000 2.370 601 V HA -0.266 3.947 4.120 0.155 0.000 0.252 601 V C 2.227 178.268 176.094 -0.087 0.000 1.068 601 V CA 2.143 64.381 62.300 -0.103 0.000 1.061 601 V CB -0.286 31.449 31.823 -0.146 0.000 0.656 601 V HN 0.451 nan 8.190 nan 0.000 0.455 602 E N -0.050 120.103 120.200 -0.078 0.000 2.418 602 E HA -0.189 4.254 4.350 0.155 0.000 0.197 602 E C 1.913 178.483 176.600 -0.050 0.000 1.026 602 E CA 0.800 57.160 56.400 -0.067 0.000 0.862 602 E CB -0.061 29.600 29.700 -0.065 0.000 0.799 602 E HN 0.603 nan 8.360 nan 0.000 0.518 603 Q N -0.405 119.369 119.800 -0.044 0.000 2.281 603 Q HA 0.206 4.639 4.340 0.155 0.000 0.215 603 Q C 0.355 176.333 176.000 -0.037 0.000 0.867 603 Q CA 0.044 55.827 55.803 -0.034 0.000 0.940 603 Q CB 0.470 29.193 28.738 -0.025 0.000 1.111 603 Q HN 0.186 nan 8.270 nan 0.000 0.513 604 M N 1.304 120.878 119.600 -0.043 0.000 2.252 604 M HA 0.088 4.661 4.480 0.155 0.000 0.348 604 M C 0.076 176.357 176.300 -0.032 0.000 1.334 604 M CA 0.427 55.702 55.300 -0.041 0.000 1.071 604 M CB 0.511 33.083 32.600 -0.047 0.000 1.763 604 M HN 0.067 nan 8.290 nan 0.000 0.452 605 T N 0.336 114.874 114.554 -0.027 0.000 2.887 605 T HA 0.479 4.922 4.350 0.155 0.000 0.288 605 T C -0.014 174.685 174.700 -0.003 0.000 1.021 605 T CA -1.104 60.986 62.100 -0.016 0.000 1.000 605 T CB 1.121 69.977 68.868 -0.020 0.000 1.034 605 T HN 0.726 nan 8.240 nan 0.000 0.467 606 c N 1.447 120.054 118.600 0.012 0.000 2.758 606 c HA 0.568 5.231 4.570 0.155 0.000 0.371 606 c C 2.202 176.305 174.090 0.022 0.000 1.342 606 c CA 0.367 56.714 56.329 0.030 0.000 2.257 606 c CB -0.330 42.204 42.510 0.041 0.000 2.621 606 c HN 1.137 nan 8.230 nan 0.000 0.730 607 A N 0.629 123.469 122.820 0.034 0.000 1.993 607 A HA 0.168 4.581 4.320 0.155 0.000 0.207 607 A C 1.501 179.104 177.584 0.031 0.000 1.224 607 A CA 0.953 53.005 52.037 0.025 0.000 0.749 607 A CB -0.702 18.314 19.000 0.027 0.000 0.884 607 A HN 0.845 nan 8.150 nan 0.000 0.467 608 T N 0.408 114.989 114.554 0.045 0.000 5.079 608 T HA 0.186 4.629 4.350 0.155 0.000 0.289 608 T C -0.919 173.801 174.700 0.034 0.000 0.923 608 T CA 0.100 62.227 62.100 0.045 0.000 1.458 608 T CB -1.297 67.609 68.868 0.063 0.000 1.841 608 T HN 0.091 nan 8.240 nan 0.000 0.357 609 P HA -0.067 nan 4.420 nan 0.000 0.201 609 P C 1.473 178.785 177.300 0.020 0.000 1.046 609 P CA 0.599 63.714 63.100 0.025 0.000 0.942 609 P CB -0.425 31.289 31.700 0.023 0.000 0.733 610 V N -0.797 119.129 119.914 0.019 0.000 3.596 610 V HA 0.060 4.273 4.120 0.155 0.000 0.289 610 V C 0.118 176.220 176.094 0.014 0.000 1.336 610 V CA 0.197 62.505 62.300 0.015 0.000 1.137 610 V CB -1.035 30.795 31.823 0.012 0.000 0.966 610 V HN 0.020 nan 8.190 nan 0.000 0.428 611 E N 0.594 120.804 120.200 0.018 0.000 2.338 611 E HA 0.324 4.767 4.350 0.155 0.000 0.272 611 E C 0.106 176.712 176.600 0.010 0.000 1.029 611 E CA 0.201 56.611 56.400 0.017 0.000 0.872 611 E CB 1.857 31.571 29.700 0.023 0.000 1.015 611 E HN 0.507 nan 8.360 nan 0.000 0.417 612 M N 2.620 122.224 119.600 0.006 0.000 1.528 612 M HA 0.053 4.626 4.480 0.155 0.000 0.168 612 M C 0.473 176.772 176.300 -0.001 0.000 1.395 612 M CA 0.288 55.588 55.300 0.000 0.000 0.714 612 M CB -0.153 32.447 32.600 -0.000 0.000 1.629 612 M HN 0.251 nan 8.290 nan 0.000 0.628 613 N N 0.810 119.510 118.700 0.001 0.000 2.651 613 N HA -0.004 4.829 4.740 0.155 0.000 0.193 613 N C -0.879 174.632 175.510 0.002 0.000 1.149 613 N CA 1.299 54.349 53.050 0.000 0.000 0.933 613 N CB -0.169 38.320 38.487 0.002 0.000 0.974 613 N HN 0.576 nan 8.380 nan 0.000 0.448 614 T N -0.310 114.248 114.554 0.005 0.000 3.005 614 T HA 0.122 4.564 4.350 0.155 0.000 0.323 614 T C -0.098 174.605 174.700 0.005 0.000 1.131 614 T CA -0.589 61.517 62.100 0.010 0.000 0.977 614 T CB 0.626 69.505 68.868 0.019 0.000 1.055 614 T HN 0.052 nan 8.240 nan 0.000 0.562 615 S N 3.172 118.870 115.700 -0.002 0.000 2.498 615 S HA 0.099 4.662 4.470 0.155 0.000 0.281 615 S C 1.470 176.062 174.600 -0.015 0.000 1.265 615 S CA -0.821 57.371 58.200 -0.014 0.000 1.071 615 S CB 0.035 63.222 63.200 -0.022 0.000 0.894 615 S HN 0.669 nan 8.310 nan 0.000 0.491 616 L N 6.853 128.066 121.223 -0.017 0.000 2.021 616 L HA -0.131 4.302 4.340 0.155 0.000 0.215 616 L C 1.773 178.619 176.870 -0.040 0.000 1.074 616 L CA 2.147 56.977 54.840 -0.016 0.000 0.760 616 L CB -0.511 41.537 42.059 -0.019 0.000 0.889 616 L HN 0.706 nan 8.230 nan 0.000 0.433 617 V N -0.231 119.645 119.914 -0.064 0.000 3.546 617 V HA -0.115 4.098 4.120 0.155 0.000 0.272 617 V C 1.639 177.682 176.094 -0.085 0.000 1.228 617 V CA 0.425 62.669 62.300 -0.093 0.000 1.184 617 V CB -0.884 30.875 31.823 -0.108 0.000 0.886 617 V HN 0.365 nan 8.190 nan 0.000 0.508 618 L N -0.261 120.929 121.223 -0.054 0.000 2.766 618 L HA 0.358 4.791 4.340 0.155 0.000 0.242 618 L C 0.746 177.606 176.870 -0.018 0.000 1.136 618 L CA 0.237 55.051 54.840 -0.043 0.000 0.933 618 L CB -0.286 41.766 42.059 -0.012 0.000 1.241 618 L HN 0.410 nan 8.230 nan 0.000 0.522 619 D N -0.116 120.281 120.400 -0.005 0.000 2.571 619 D HA -0.101 4.631 4.640 0.155 0.000 0.231 619 D C 0.245 176.565 176.300 0.034 0.000 1.133 619 D CA 0.677 54.703 54.000 0.044 0.000 0.862 619 D CB 0.830 41.654 40.800 0.042 0.000 1.179 619 D HN -0.087 nan 8.370 nan 0.000 0.474 620 F N 2.146 122.098 119.950 0.004 0.000 2.672 620 F HA 0.462 5.082 4.527 0.155 0.000 0.245 620 F C 0.485 176.290 175.800 0.008 0.000 1.151 620 F CA -0.744 57.257 58.000 0.002 0.000 1.018 620 F CB 0.552 39.552 39.000 0.001 0.000 2.068 620 F HN 0.422 nan 8.300 nan 0.000 0.583 621 N N 0.082 119.097 118.700 0.525 0.000 2.732 621 N HA 0.243 5.076 4.740 0.155 0.000 0.230 621 N C -1.485 174.125 175.510 0.166 0.000 1.487 621 N CA 0.050 53.255 53.050 0.259 0.000 0.765 621 N CB -0.032 38.580 38.487 0.208 0.000 1.384 621 N HN 0.514 nan 8.380 nan 0.000 0.530 622 N N -1.298 117.453 118.700 0.085 0.000 2.801 622 N HA 0.136 4.969 4.740 0.155 0.000 0.280 622 N C -0.896 174.612 175.510 -0.003 0.000 0.835 622 N CA -0.221 52.833 53.050 0.006 0.000 1.145 622 N CB 0.253 38.686 38.487 -0.090 0.000 1.516 622 N HN -0.000 nan 8.380 nan 0.000 1.122 623 S N 1.551 117.246 115.700 -0.007 0.000 2.752 623 S HA 0.073 4.636 4.470 0.155 0.000 0.329 623 S C 0.162 174.762 174.600 -0.001 0.000 1.204 623 S CA 1.078 59.272 58.200 -0.009 0.000 1.252 623 S CB -0.611 62.586 63.200 -0.006 0.000 1.053 623 S HN 0.453 nan 8.310 nan 0.000 0.533 624 T N -0.637 113.914 114.554 -0.006 0.000 9.545 624 T HA -0.254 4.188 4.350 0.155 0.000 0.344 624 T C 0.591 175.292 174.700 0.000 0.000 1.908 624 T CA 1.475 63.572 62.100 -0.005 0.000 3.011 624 T CB -2.258 66.606 68.868 -0.007 0.000 2.298 624 T HN 0.973 nan 8.240 nan 0.000 0.992 625 c N 0.000 118.605 118.600 0.009 0.000 2.653 625 c HA 0.000 4.663 4.570 0.155 0.000 0.325 625 c CA 0.000 56.340 56.329 0.018 0.000 1.963 625 c CB 0.000 42.525 42.510 0.025 0.000 2.134 625 c HN 0.000 nan 8.230 nan 0.000 0.568