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 1xf1_1_B DATA FIRST_RESID 106 DATA SEQUENCE NDPSQVKTLQ EKAGKGAGTV VAVIDAGFDK NHEAWRLTDK TKARYQSKED DATA SEQUENCE LEKAKKEHGI TYGEWVNDKV AYYHDYSKDG KTAVDQEHGT HVSGILSGNA DATA SEQUENCE PSETKEPYRL EGAXPEAQLL LXRVEIVNGL ADYARNYAQA IRDAINLGAK DATA SEQUENCE VINXSFGNAA LAYANLPDET KKAFDYAKSK GVSIVTSAGN DSSFGGKTRL DATA SEQUENCE PLADHPDYGV VGTPAAADST LTVASYSPDK QLTETVRVKT ADQQDKEXPV DATA SEQUENCE LSTNRFEPNK AYDYAYANRG TKEDDFKDVK GKIALIERGD IDFKDKIAKA DATA SEQUENCE KKAGAVGVLI YDNQDKGFPI ELPNVDQXPA AFISRKDGLL LKDNPQKTIT DATA SEQUENCE FNATPKVLPT ASGTKLSRFS SWGLTADGNI KPDIAAPGQD ILSSVANNKY DATA SEQUENCE AKLSGTSXSA PLVAGIXGLL QKQYETQYPD XTPSERLDLA KKVLXSSATA DATA SEQUENCE LYDEDEKAYF SPRQQGAGAV DAKKASAATX YVTDKDNTSS KVHLNNVSDK DATA SEQUENCE FEVTVNVHNK SDKPQELYYQ ATVQTDKVDG KHFALAPKVL YETSWQKITI DATA SEQUENCE PANSSKQVTV PIDASRFSKD LLAQXKNGYF LEGFVRFKQD PTKEELXSIP DATA SEQUENCE YIGFRGDFGN LSALEKPIYD SKDGSSYYHE ANSDAKDQLD GDGLQFYALK DATA SEQUENCE NNFTALTTES NPWTIIKAVK EGVENIEDIE SSEITETIFA GTFAKQDDDS DATA SEQUENCE HYYIHRHANG KPYAAISPNG DGNRDYVQFQ GTFLRNAKNL VAEVLDKEGN DATA SEQUENCE VVWTSEVTEQ VVKNYNNDLA STLGSTRFEK TRWDGKDKDG KVVANGTYTY DATA SEQUENCE RVRYTPISSG AKEQHTDFDV IVDNTTPEVA TSATFSTEDR RLTLASKPKT DATA SEQUENCE SQPVYRERIA YTYXDEDLPT TEYISPNEDG TFTLPEEAET XEGATVPLKX DATA SEQUENCE SDFTYVVEDX AGNITYTPVT KLLEGH 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 106 N HA 0.000 nan 4.740 nan 0.000 0.220 106 N C 0.000 175.492 175.510 -0.031 0.000 1.280 106 N CA 0.000 53.032 53.050 -0.031 0.000 0.885 106 N CB 0.000 38.460 38.487 -0.044 0.000 1.341 107 D N 1.819 122.210 120.400 -0.016 0.000 2.613 107 D HA 0.361 5.001 4.640 0.001 0.000 0.312 107 D C -1.713 174.590 176.300 0.004 0.000 1.202 107 D CA -1.933 52.064 54.000 -0.005 0.000 0.825 107 D CB 1.271 42.074 40.800 0.006 0.000 1.113 107 D HN 0.226 nan 8.370 nan 0.000 0.502 108 P HA -0.159 nan 4.420 nan 0.000 0.216 108 P C 1.141 178.474 177.300 0.054 0.000 1.153 108 P CA 1.130 64.239 63.100 0.016 0.000 0.858 108 P CB 0.183 31.865 31.700 -0.030 0.000 0.789 109 S N -2.046 113.685 115.700 0.053 0.000 2.603 109 S HA -0.003 4.467 4.470 0.001 0.000 0.220 109 S C 0.500 175.132 174.600 0.054 0.000 0.967 109 S CA -0.145 58.098 58.200 0.071 0.000 0.920 109 S CB -0.953 62.292 63.200 0.076 0.000 0.773 109 S HN 0.232 nan 8.310 nan 0.000 0.529 110 Q N -0.013 119.811 119.800 0.040 0.000 2.453 110 Q HA -0.112 4.228 4.340 0.001 0.000 0.350 110 Q C 0.055 176.071 176.000 0.027 0.000 1.447 110 Q CA 0.421 56.243 55.803 0.032 0.000 0.968 110 Q CB -1.784 26.976 28.738 0.036 0.000 1.175 110 Q HN 0.498 nan 8.270 nan 0.000 0.354 111 V N -0.205 119.722 119.914 0.022 0.000 3.506 111 V HA -0.129 3.991 4.120 0.001 0.000 0.263 111 V C 2.238 178.337 176.094 0.009 0.000 1.203 111 V CA 1.476 63.785 62.300 0.015 0.000 1.133 111 V CB -0.092 31.740 31.823 0.015 0.000 0.802 111 V HN 0.481 nan 8.190 nan 0.000 0.459 112 K N 1.597 122.003 120.400 0.011 0.000 2.052 112 K HA -0.319 4.001 4.320 0.001 0.000 0.215 112 K C 2.285 178.889 176.600 0.006 0.000 1.053 112 K CA 2.580 58.872 56.287 0.008 0.000 0.934 112 K CB -0.440 32.066 32.500 0.010 0.000 0.717 112 K HN 0.656 nan 8.250 nan 0.000 0.450 113 T N -0.354 114.205 114.554 0.009 0.000 2.833 113 T HA -0.160 4.191 4.350 0.001 0.000 0.269 113 T C 1.849 176.550 174.700 0.003 0.000 1.054 113 T CA 1.185 63.290 62.100 0.008 0.000 1.135 113 T CB -0.246 68.631 68.868 0.015 0.000 0.869 113 T HN 0.239 nan 8.240 nan 0.000 0.466 114 L N 0.866 122.088 121.223 -0.001 0.000 2.072 114 L HA 0.116 4.456 4.340 0.001 0.000 0.205 114 L C 2.726 179.585 176.870 -0.018 0.000 1.079 114 L CA 1.602 56.434 54.840 -0.015 0.000 0.752 114 L CB -0.746 41.301 42.059 -0.021 0.000 0.906 114 L HN 0.248 nan 8.230 nan 0.000 0.436 115 Q N -0.531 119.262 119.800 -0.011 0.000 2.119 115 Q HA -0.212 4.129 4.340 0.001 0.000 0.201 115 Q C 2.023 178.018 176.000 -0.009 0.000 0.972 115 Q CA 1.875 57.671 55.803 -0.012 0.000 0.847 115 Q CB -0.107 28.628 28.738 -0.006 0.000 0.903 115 Q HN 0.622 nan 8.270 nan 0.000 0.433 116 E N 0.476 120.673 120.200 -0.005 0.000 2.153 116 E HA -0.187 4.164 4.350 0.001 0.000 0.194 116 E C 1.742 178.338 176.600 -0.005 0.000 0.988 116 E CA 0.847 57.245 56.400 -0.003 0.000 0.811 116 E CB 0.062 29.762 29.700 0.001 0.000 0.746 116 E HN 0.151 nan 8.360 nan 0.000 0.466 117 K N -0.324 120.071 120.400 -0.008 0.000 2.202 117 K HA 0.101 4.422 4.320 0.001 0.000 0.201 117 K C 1.651 178.241 176.600 -0.016 0.000 1.051 117 K CA 0.815 57.096 56.287 -0.010 0.000 0.977 117 K CB 0.295 32.791 32.500 -0.007 0.000 0.792 117 K HN 0.051 nan 8.250 nan 0.000 0.469 118 A N 0.090 122.895 122.820 -0.024 0.000 2.324 118 A HA 0.429 4.749 4.320 0.001 0.000 0.220 118 A C 0.578 178.147 177.584 -0.026 0.000 1.209 118 A CA 0.593 52.611 52.037 -0.031 0.000 0.918 118 A CB 0.502 19.471 19.000 -0.052 0.000 0.959 118 A HN 0.425 nan 8.150 nan 0.000 0.507 119 G N -0.221 108.567 108.800 -0.021 0.000 2.526 119 G HA2 -0.089 3.871 3.960 0.001 0.000 0.250 119 G HA3 -0.089 3.871 3.960 0.001 0.000 0.250 119 G C -0.206 174.682 174.900 -0.019 0.000 1.289 119 G CA -0.133 44.957 45.100 -0.018 0.000 0.947 119 G HN 0.214 nan 8.290 nan 0.000 0.517 120 K N 0.354 120.744 120.400 -0.017 0.000 2.537 120 K HA 0.464 4.785 4.320 0.001 0.000 0.206 120 K C 1.296 177.884 176.600 -0.021 0.000 1.041 120 K CA 0.488 56.765 56.287 -0.017 0.000 1.090 120 K CB 0.901 33.394 32.500 -0.012 0.000 0.833 120 K HN 2.106 nan 8.250 nan 0.000 0.493 121 G N 1.311 110.096 108.800 -0.025 0.000 2.157 121 G HA2 -0.292 3.668 3.960 0.001 0.000 0.239 121 G HA3 -0.292 3.668 3.960 0.001 0.000 0.239 121 G C 0.247 175.131 174.900 -0.027 0.000 0.982 121 G CA -0.085 44.999 45.100 -0.028 0.000 0.650 121 G HN 0.439 nan 8.290 nan 0.000 0.527 122 A N -0.022 122.784 122.820 -0.022 0.000 2.548 122 A HA 0.595 4.916 4.320 0.001 0.000 0.247 122 A C 2.099 179.667 177.584 -0.027 0.000 1.067 122 A CA 2.063 54.088 52.037 -0.020 0.000 0.757 122 A CB -0.236 18.756 19.000 -0.014 0.000 0.996 122 A HN 2.411 nan 8.150 nan 0.000 0.504 123 G N 2.419 111.201 108.800 -0.030 0.000 2.179 123 G HA2 -0.216 3.745 3.960 0.001 0.000 0.260 123 G HA3 -0.216 3.745 3.960 0.001 0.000 0.260 123 G C 0.483 175.343 174.900 -0.067 0.000 0.977 123 G CA 0.672 45.743 45.100 -0.048 0.000 0.641 123 G HN 1.143 nan 8.290 nan 0.000 0.533 124 T N -0.162 114.361 114.554 -0.052 0.000 2.912 124 T HA 0.633 4.984 4.350 0.001 0.000 0.280 124 T C 0.003 174.675 174.700 -0.047 0.000 0.989 124 T CA -0.139 61.928 62.100 -0.055 0.000 0.995 124 T CB 2.488 71.330 68.868 -0.043 0.000 1.077 124 T HN 0.537 nan 8.240 nan 0.000 0.531 125 V N 1.866 121.755 119.914 -0.041 0.000 2.588 125 V HA 0.510 4.631 4.120 0.001 0.000 0.304 125 V C -0.601 175.482 176.094 -0.018 0.000 1.042 125 V CA -0.717 61.576 62.300 -0.012 0.000 0.877 125 V CB 1.932 33.764 31.823 0.014 0.000 0.996 125 V HN 0.656 nan 8.190 nan 0.000 0.425 126 V N 3.680 123.585 119.914 -0.014 0.000 2.495 126 V HA 0.808 4.929 4.120 0.001 0.000 0.298 126 V C 0.339 176.427 176.094 -0.010 0.000 1.031 126 V CA -0.544 61.744 62.300 -0.020 0.000 0.871 126 V CB 1.849 33.656 31.823 -0.026 0.000 0.988 126 V HN 0.996 nan 8.190 nan 0.000 0.432 127 A N 4.465 127.278 122.820 -0.011 0.000 2.306 127 A HA 0.841 5.161 4.320 0.001 0.000 0.314 127 A C -0.718 176.881 177.584 0.024 0.000 1.164 127 A CA -0.482 51.558 52.037 0.005 0.000 0.822 127 A CB 1.290 20.282 19.000 -0.014 0.000 1.130 127 A HN 0.738 nan 8.150 nan 0.000 0.496 128 V N 4.265 124.225 119.914 0.075 0.000 2.419 128 V HA 0.296 4.416 4.120 0.001 0.000 0.287 128 V C -0.565 175.660 176.094 0.220 0.000 1.017 128 V CA -0.030 62.349 62.300 0.133 0.000 0.844 128 V CB 1.016 32.958 31.823 0.198 0.000 1.011 128 V HN 0.752 nan 8.190 nan 0.000 0.429 129 I N 3.792 124.404 120.570 0.069 0.000 2.321 129 I HA 0.742 4.913 4.170 0.001 0.000 0.291 129 I C 0.377 176.387 176.117 -0.179 0.000 0.998 129 I CA 0.216 61.493 61.300 -0.039 0.000 1.227 129 I CB 1.405 39.284 38.000 -0.202 0.000 1.368 129 I HN 0.788 nan 8.210 nan 0.000 0.466 130 D N 3.544 123.771 120.400 -0.289 0.000 2.664 130 D HA 0.700 5.340 4.640 0.001 0.000 0.292 130 D C 0.460 176.516 176.300 -0.406 0.000 1.214 130 D CA 0.151 53.869 54.000 -0.470 0.000 0.932 130 D CB 1.641 41.965 40.800 -0.793 0.000 1.420 130 D HN 0.545 nan 8.370 nan 0.000 0.471 131 A N -1.337 121.293 122.820 -0.317 0.000 2.072 131 A HA 0.609 4.930 4.320 0.001 0.000 0.216 131 A C 1.375 178.843 177.584 -0.193 0.000 1.156 131 A CA 1.782 53.710 52.037 -0.183 0.000 0.701 131 A CB -0.186 18.743 19.000 -0.119 0.000 0.816 131 A HN 1.920 nan 8.150 nan 0.000 0.458 132 G N -2.964 105.609 108.800 -0.378 0.000 2.579 132 G HA2 0.455 4.416 3.960 0.001 0.000 0.292 132 G HA3 0.455 4.416 3.960 0.001 0.000 0.292 132 G C -0.653 173.957 174.900 -0.484 0.000 1.484 132 G CA -0.567 44.388 45.100 -0.242 0.000 0.813 132 G HN 0.085 nan 8.290 nan 0.000 0.515 133 F N 0.147 120.094 119.950 -0.004 0.000 2.724 133 F HA 0.195 4.723 4.527 0.001 0.000 0.310 133 F C 1.884 177.630 175.800 -0.090 0.000 1.107 133 F CA -0.132 57.828 58.000 -0.067 0.000 1.218 133 F CB 0.539 39.462 39.000 -0.127 0.000 1.042 133 F HN 0.551 nan 8.300 nan 0.000 0.540 134 D N 0.988 121.450 120.400 0.104 0.000 2.170 134 D HA -0.272 4.369 4.640 0.001 0.000 0.193 134 D C 0.887 177.234 176.300 0.078 0.000 1.004 134 D CA 1.565 55.614 54.000 0.082 0.000 0.860 134 D CB -0.505 40.334 40.800 0.064 0.000 0.931 134 D HN 0.179 nan 8.370 nan 0.000 0.448 135 K N 0.801 121.231 120.400 0.051 0.000 3.216 135 K HA 0.126 4.447 4.320 0.001 0.000 0.277 135 K C 0.488 177.134 176.600 0.076 0.000 1.246 135 K CA -0.220 56.100 56.287 0.056 0.000 1.227 135 K CB -0.110 32.402 32.500 0.020 0.000 1.487 135 K HN 0.197 nan 8.250 nan 0.000 0.341 136 N N 1.240 119.977 118.700 0.062 0.000 2.238 136 N HA -0.382 4.359 4.740 0.001 0.000 0.200 136 N C 1.141 176.720 175.510 0.115 0.000 0.968 136 N CA 2.317 55.373 53.050 0.011 0.000 0.922 136 N CB -0.422 38.030 38.487 -0.058 0.000 1.059 136 N HN 0.743 nan 8.380 nan 0.000 0.551 137 H N -1.091 117.989 119.070 0.016 0.000 4.844 137 H HA -0.191 4.366 4.556 0.001 0.000 0.071 137 H C -0.489 174.858 175.328 0.030 0.000 0.589 137 H CA 1.546 57.606 56.048 0.019 0.000 1.006 137 H CB -1.131 28.626 29.762 -0.009 0.000 0.443 137 H HN 0.213 nan 8.280 nan 0.000 0.779 138 E N 1.373 121.608 120.200 0.058 0.000 2.408 138 E HA 0.321 4.671 4.350 0.001 0.000 0.259 138 E C 0.479 177.135 176.600 0.093 0.000 1.110 138 E CA 0.616 57.003 56.400 -0.023 0.000 0.929 138 E CB 0.466 30.102 29.700 -0.107 0.000 0.971 138 E HN 0.501 nan 8.360 nan 0.000 0.438 139 A N 3.009 125.887 122.820 0.097 0.000 2.810 139 A HA -0.025 4.295 4.320 0.001 0.000 0.247 139 A C 0.455 178.186 177.584 0.245 0.000 1.576 139 A CA -0.181 51.947 52.037 0.151 0.000 1.294 139 A CB -1.185 17.879 19.000 0.106 0.000 0.976 139 A HN 0.735 nan 8.150 nan 0.000 0.631 140 W N -0.327 120.967 121.300 -0.011 0.000 3.834 140 W HA -0.268 4.393 4.660 0.001 0.000 0.320 140 W C 0.355 176.841 176.519 -0.054 0.000 1.201 140 W CA 1.050 58.375 57.345 -0.034 0.000 0.701 140 W CB -1.122 28.322 29.460 -0.027 0.000 2.264 140 W HN 0.785 nan 8.180 nan 0.000 1.413 141 R N 0.797 121.312 120.500 0.025 0.000 1.868 141 R HA -0.228 4.112 4.340 0.001 0.000 0.335 141 R C 1.177 177.484 176.300 0.012 0.000 1.224 141 R CA 1.352 57.437 56.100 -0.025 0.000 1.206 141 R CB -0.980 29.251 30.300 -0.115 0.000 3.358 141 R HN 0.269 nan 8.270 nan 0.000 0.492 142 L N 2.411 123.653 121.223 0.032 0.000 2.146 142 L HA -0.024 4.317 4.340 0.001 0.000 0.248 142 L C 1.564 178.443 176.870 0.015 0.000 1.060 142 L CA 1.916 56.778 54.840 0.036 0.000 0.913 142 L CB -1.879 40.196 42.059 0.027 0.000 0.939 142 L HN 0.913 nan 8.230 nan 0.000 0.424 143 T N -5.124 109.434 114.554 0.007 0.000 2.606 143 T HA 0.598 4.949 4.350 0.001 0.000 0.232 143 T C -0.561 174.137 174.700 -0.003 0.000 0.853 143 T CA 0.054 62.154 62.100 -0.001 0.000 1.301 143 T CB 0.953 69.832 68.868 0.019 0.000 1.633 143 T HN 0.886 nan 8.240 nan 0.000 0.448 144 D N 0.298 120.702 120.400 0.008 0.000 4.991 144 D HA 0.278 4.919 4.640 0.001 0.000 0.326 144 D C -1.522 174.787 176.300 0.016 0.000 1.824 144 D CA -0.444 53.560 54.000 0.007 0.000 0.989 144 D CB 0.125 40.925 40.800 -0.000 0.000 1.588 144 D HN 0.437 nan 8.370 nan 0.000 0.697 145 K N 0.609 121.020 120.400 0.017 0.000 3.098 145 K HA 0.377 4.697 4.320 0.001 0.000 0.170 145 K C -1.180 175.436 176.600 0.026 0.000 1.106 145 K CA -0.349 55.950 56.287 0.020 0.000 0.864 145 K CB 1.021 33.529 32.500 0.014 0.000 1.047 145 K HN 0.275 nan 8.250 nan 0.000 0.609 146 T N 1.716 116.293 114.554 0.040 0.000 2.417 146 T HA -0.189 4.161 4.350 0.001 0.000 0.202 146 T C 0.700 175.424 174.700 0.040 0.000 1.204 146 T CA 1.016 63.148 62.100 0.053 0.000 3.616 146 T CB -0.335 68.577 68.868 0.073 0.000 0.734 146 T HN 0.405 nan 8.240 nan 0.000 0.256 147 K N 0.543 120.961 120.400 0.029 0.000 2.533 147 K HA 0.537 4.858 4.320 0.001 0.000 0.202 147 K C -0.140 176.466 176.600 0.010 0.000 1.096 147 K CA -0.187 56.111 56.287 0.018 0.000 1.056 147 K CB 0.745 33.251 32.500 0.010 0.000 0.890 147 K HN 0.612 nan 8.250 nan 0.000 0.552 148 A N 1.355 124.183 122.820 0.014 0.000 2.590 148 A HA 0.409 4.730 4.320 0.001 0.000 0.296 148 A C -1.323 176.253 177.584 -0.013 0.000 1.050 148 A CA -0.865 51.167 52.037 -0.008 0.000 0.697 148 A CB 0.677 19.660 19.000 -0.027 0.000 1.277 148 A HN 0.489 nan 8.150 nan 0.000 0.411 149 R N 1.460 121.926 120.500 -0.056 0.000 2.881 149 R HA -0.211 4.130 4.340 0.001 0.000 0.232 149 R C -0.707 175.601 176.300 0.014 0.000 0.913 149 R CA 1.562 57.582 56.100 -0.133 0.000 0.875 149 R CB -1.068 28.993 30.300 -0.397 0.000 0.947 149 R HN 1.733 nan 8.270 nan 0.000 0.353 150 Y N 0.367 120.747 120.300 0.133 0.000 2.971 150 Y HA -0.259 4.292 4.550 0.001 0.000 0.174 150 Y C 0.749 176.848 175.900 0.331 0.000 1.576 150 Y CA 0.802 59.049 58.100 0.245 0.000 0.872 150 Y CB -1.015 37.600 38.460 0.258 0.000 1.396 150 Y HN 0.690 nan 8.280 nan 0.000 0.377 151 Q N 0.311 120.338 119.800 0.378 0.000 2.247 151 Q HA 0.177 4.517 4.340 0.001 0.000 0.211 151 Q C 0.332 176.470 176.000 0.230 0.000 0.861 151 Q CA 0.610 56.602 55.803 0.314 0.000 0.949 151 Q CB 1.085 29.920 28.738 0.161 0.000 1.115 151 Q HN 0.528 nan 8.270 nan 0.000 0.507 152 S N -1.884 113.797 115.700 -0.032 0.000 2.597 152 S HA 0.269 4.740 4.470 0.001 0.000 0.274 152 S C -0.021 173.994 174.600 -0.974 0.000 1.132 152 S CA -0.969 56.864 58.200 -0.612 0.000 0.835 152 S CB 1.293 64.330 63.200 -0.272 0.000 1.092 152 S HN 0.016 nan 8.310 nan 0.000 0.457 153 K N 1.061 120.707 120.400 -1.258 0.000 2.052 153 K HA -0.223 4.098 4.320 0.001 0.000 0.215 153 K C 1.816 178.191 176.600 -0.375 0.000 1.053 153 K CA 2.306 58.095 56.287 -0.830 0.000 0.934 153 K CB -0.419 31.729 32.500 -0.587 0.000 0.717 153 K HN 0.687 nan 8.250 nan 0.000 0.450 154 E N 0.915 120.947 120.200 -0.280 0.000 2.048 154 E HA -0.249 4.101 4.350 0.001 0.000 0.202 154 E C 1.877 178.434 176.600 -0.072 0.000 1.021 154 E CA 1.922 58.239 56.400 -0.139 0.000 0.825 154 E CB -0.258 29.379 29.700 -0.105 0.000 0.756 154 E HN 0.273 nan 8.360 nan 0.000 0.454 155 D N 0.431 120.805 120.400 -0.043 0.000 2.157 155 D HA -0.209 4.432 4.640 0.001 0.000 0.191 155 D C 1.750 178.131 176.300 0.135 0.000 1.004 155 D CA 0.843 54.902 54.000 0.098 0.000 0.854 155 D CB -0.182 40.734 40.800 0.194 0.000 0.936 155 D HN 0.042 nan 8.370 nan 0.000 0.446 156 L N 0.955 122.186 121.223 0.012 0.000 1.973 156 L HA -0.151 4.190 4.340 0.001 0.000 0.208 156 L C 1.974 178.818 176.870 -0.043 0.000 1.073 156 L CA 1.850 56.623 54.840 -0.111 0.000 0.746 156 L CB -0.963 41.083 42.059 -0.021 0.000 0.891 156 L HN 0.038 nan 8.230 nan 0.000 0.433 157 E N 0.334 120.512 120.200 -0.037 0.000 2.065 157 E HA -0.256 4.094 4.350 0.001 0.000 0.201 157 E C 2.060 178.660 176.600 0.000 0.000 1.016 157 E CA 1.212 57.598 56.400 -0.024 0.000 0.818 157 E CB -0.448 29.224 29.700 -0.047 0.000 0.749 157 E HN 0.381 nan 8.360 nan 0.000 0.453 158 K N 0.614 121.022 120.400 0.013 0.000 2.001 158 K HA -0.083 4.238 4.320 0.001 0.000 0.214 158 K C 2.191 178.830 176.600 0.065 0.000 1.050 158 K CA 1.433 57.737 56.287 0.030 0.000 0.934 158 K CB -0.826 31.695 32.500 0.036 0.000 0.718 158 K HN 0.183 nan 8.250 nan 0.000 0.443 159 A N 1.703 124.601 122.820 0.130 0.000 1.883 159 A HA -0.219 4.102 4.320 0.001 0.000 0.217 159 A C 2.162 179.891 177.584 0.241 0.000 1.186 159 A CA 2.155 54.334 52.037 0.237 0.000 0.624 159 A CB -0.528 18.700 19.000 0.379 0.000 0.822 159 A HN 0.406 nan 8.150 nan 0.000 0.444 160 K N -0.334 120.134 120.400 0.115 0.000 2.360 160 K HA -0.173 4.147 4.320 0.001 0.000 0.201 160 K C 1.891 178.517 176.600 0.044 0.000 1.046 160 K CA 1.812 58.137 56.287 0.063 0.000 0.940 160 K CB -0.117 32.393 32.500 0.016 0.000 0.748 160 K HN 0.502 nan 8.250 nan 0.000 0.465 161 K N 0.209 120.629 120.400 0.034 0.000 2.308 161 K HA 0.007 4.328 4.320 0.001 0.000 0.197 161 K C 1.192 177.784 176.600 -0.015 0.000 1.049 161 K CA 0.365 56.649 56.287 -0.005 0.000 0.991 161 K CB 0.377 32.867 32.500 -0.016 0.000 0.836 161 K HN 0.155 nan 8.250 nan 0.000 0.500 162 E N -0.414 119.775 120.200 -0.018 0.000 2.208 162 E HA -0.106 4.245 4.350 0.001 0.000 0.193 162 E C 1.069 177.549 176.600 -0.201 0.000 0.988 162 E CA 0.646 56.978 56.400 -0.114 0.000 0.828 162 E CB 0.134 29.739 29.700 -0.158 0.000 0.763 162 E HN 0.364 nan 8.360 nan 0.000 0.478 163 H N -0.562 118.506 119.070 -0.003 0.000 2.539 163 H HA 0.150 4.707 4.556 0.001 0.000 0.269 163 H C 1.006 176.317 175.328 -0.028 0.000 0.980 163 H CA 0.718 56.764 56.048 -0.003 0.000 1.152 163 H CB 0.904 30.673 29.762 0.010 0.000 1.407 163 H HN 0.282 nan 8.280 nan 0.000 0.564 164 G N 1.748 110.565 108.800 0.028 0.000 2.198 164 G HA2 -0.262 3.699 3.960 0.001 0.000 0.257 164 G HA3 -0.262 3.699 3.960 0.001 0.000 0.257 164 G C 0.062 174.918 174.900 -0.073 0.000 1.042 164 G CA 0.095 45.181 45.100 -0.024 0.000 0.791 164 G HN 0.336 nan 8.290 nan 0.000 0.502 165 I N 0.180 120.700 120.570 -0.084 0.000 2.377 165 I HA 0.398 4.569 4.170 0.001 0.000 0.293 165 I C 1.296 177.237 176.117 -0.293 0.000 0.987 165 I CA -0.481 60.687 61.300 -0.219 0.000 1.185 165 I CB 1.762 39.694 38.000 -0.113 0.000 1.341 165 I HN 0.071 nan 8.210 nan 0.000 0.455 166 T N 3.310 117.528 114.554 -0.559 0.000 3.056 166 T HA -0.015 4.336 4.350 0.001 0.000 0.241 166 T C 0.998 175.477 174.700 -0.367 0.000 1.006 166 T CA 0.587 62.439 62.100 -0.413 0.000 1.115 166 T CB -0.043 68.619 68.868 -0.343 0.000 0.939 166 T HN 0.586 nan 8.240 nan 0.000 0.462 167 Y N 1.932 122.072 120.300 -0.266 0.000 2.471 167 Y HA 0.596 5.146 4.550 0.001 0.000 0.321 167 Y C 0.934 176.591 175.900 -0.405 0.000 1.195 167 Y CA -2.136 55.689 58.100 -0.458 0.000 1.272 167 Y CB -1.438 36.401 38.460 -1.035 0.000 1.097 167 Y HN 0.014 nan 8.280 nan 0.000 0.507 168 G N 0.724 109.539 108.800 0.025 0.000 2.483 168 G HA2 0.354 4.315 3.960 0.001 0.000 0.248 168 G HA3 0.354 4.315 3.960 0.001 0.000 0.248 168 G C 0.073 174.921 174.900 -0.088 0.000 1.248 168 G CA -0.432 44.738 45.100 0.117 0.000 0.838 168 G HN 0.388 nan 8.290 nan 0.000 0.566 169 E N -0.178 119.832 120.200 -0.316 0.000 3.446 169 E HA 0.416 4.767 4.350 0.001 0.000 0.229 169 E C -0.774 175.891 176.600 0.109 0.000 0.740 169 E CA -0.607 55.727 56.400 -0.109 0.000 1.531 169 E CB 1.640 31.250 29.700 -0.150 0.000 1.891 169 E HN 0.582 nan 8.360 nan 0.000 0.383 170 W N -0.543 120.689 121.300 -0.113 0.000 3.536 170 W HA 0.079 4.740 4.660 0.001 0.000 0.301 170 W C -1.828 174.664 176.519 -0.045 0.000 1.092 170 W CA -0.210 57.104 57.345 -0.051 0.000 1.070 170 W CB -0.049 29.392 29.460 -0.032 0.000 1.335 170 W HN 0.189 nan 8.180 nan 0.000 0.565 171 V N 3.405 123.004 119.914 -0.525 0.000 3.411 171 V HA 0.176 4.297 4.120 0.001 0.000 0.287 171 V C 0.007 175.901 176.094 -0.333 0.000 1.543 171 V CA 1.158 63.283 62.300 -0.292 0.000 1.028 171 V CB 0.066 31.712 31.823 -0.295 0.000 0.840 171 V HN 0.704 nan 8.190 nan 0.000 0.435 172 N N -1.599 116.579 118.700 -0.869 0.000 3.178 172 N HA -0.103 4.638 4.740 0.001 0.000 0.267 172 N C -1.053 174.076 175.510 -0.636 0.000 1.187 172 N CA -0.005 52.873 53.050 -0.287 0.000 0.684 172 N CB -0.327 38.124 38.487 -0.060 0.000 1.690 172 N HN -0.125 nan 8.380 nan 0.000 0.281 173 D N 0.071 120.368 120.400 -0.170 0.000 2.080 173 D HA 0.111 4.752 4.640 0.001 0.000 0.267 173 D C 1.253 177.397 176.300 -0.260 0.000 1.165 173 D CA 0.715 54.630 54.000 -0.141 0.000 0.982 173 D CB -0.325 40.478 40.800 0.005 0.000 1.172 173 D HN 0.963 nan 8.370 nan 0.000 0.503 174 K N -0.952 119.361 120.400 -0.145 0.000 6.552 174 K HA -0.271 4.050 4.320 0.001 0.000 0.431 174 K C -0.102 176.368 176.600 -0.217 0.000 0.629 174 K CA 2.142 58.339 56.287 -0.150 0.000 1.394 174 K CB -1.493 30.925 32.500 -0.135 0.000 0.877 174 K HN 0.192 nan 8.250 nan 0.000 0.885 175 V N 1.476 121.211 119.914 -0.298 0.000 2.287 175 V HA 0.336 4.456 4.120 0.001 0.000 0.246 175 V C 1.188 176.987 176.094 -0.492 0.000 1.165 175 V CA 0.456 62.556 62.300 -0.334 0.000 1.088 175 V CB -0.072 31.528 31.823 -0.372 0.000 1.242 175 V HN 0.556 nan 8.190 nan 0.000 0.497 176 A N 4.464 127.053 122.820 -0.385 0.000 2.259 176 A HA 0.284 4.605 4.320 0.001 0.000 0.208 176 A C 0.233 177.771 177.584 -0.076 0.000 1.201 176 A CA 0.376 52.124 52.037 -0.482 0.000 0.824 176 A CB -0.182 18.753 19.000 -0.107 0.000 0.838 176 A HN 0.732 nan 8.150 nan 0.000 0.485 177 Y N -2.917 117.267 120.300 -0.193 0.000 2.620 177 Y HA 0.424 4.974 4.550 0.001 0.000 0.331 177 Y C -1.606 174.303 175.900 0.015 0.000 1.173 177 Y CA -1.195 56.878 58.100 -0.044 0.000 1.076 177 Y CB 1.050 39.498 38.460 -0.021 0.000 1.336 177 Y HN 0.124 nan 8.280 nan 0.000 0.459 178 Y N 5.672 125.623 120.300 -0.582 0.000 2.988 178 Y HA 0.202 4.753 4.550 0.001 0.000 0.241 178 Y C -1.215 174.441 175.900 -0.407 0.000 0.904 178 Y CA -0.614 57.248 58.100 -0.396 0.000 1.146 178 Y CB -0.633 37.624 38.460 -0.339 0.000 1.178 178 Y HN 0.802 nan 8.280 nan 0.000 0.584 179 H N 1.451 119.999 119.070 -0.870 0.000 2.707 179 H HA 0.188 4.744 4.556 0.001 0.000 0.359 179 H C -0.791 174.139 175.328 -0.663 0.000 1.113 179 H CA 0.490 56.119 56.048 -0.697 0.000 1.422 179 H CB 1.090 30.553 29.762 -0.498 0.000 1.443 179 H HN 0.494 nan 8.280 nan 0.000 0.591 180 D N 4.804 124.463 120.400 -1.234 0.000 2.427 180 D HA 0.092 4.732 4.640 0.001 0.000 0.226 180 D C -0.865 174.795 176.300 -1.067 0.000 1.076 180 D CA -0.306 53.146 54.000 -0.914 0.000 0.849 180 D CB 0.006 40.488 40.800 -0.530 0.000 1.052 180 D HN 0.408 nan 8.370 nan 0.000 0.515 181 Y N 1.286 121.153 120.300 -0.720 0.000 2.298 181 Y HA 0.111 4.662 4.550 0.001 0.000 0.329 181 Y C 1.717 177.472 175.900 -0.242 0.000 1.293 181 Y CA -0.384 57.442 58.100 -0.456 0.000 1.388 181 Y CB 0.886 39.167 38.460 -0.298 0.000 1.309 181 Y HN 0.349 nan 8.280 nan 0.000 0.544 182 S N -0.260 115.450 115.700 0.018 0.000 3.631 182 S HA -0.261 4.210 4.470 0.001 0.000 0.366 182 S C 1.313 175.894 174.600 -0.032 0.000 0.993 182 S CA 0.981 59.195 58.200 0.024 0.000 1.167 182 S CB -0.982 62.259 63.200 0.068 0.000 0.909 182 S HN 0.785 nan 8.310 nan 0.000 0.478 183 K N 1.738 122.093 120.400 -0.075 0.000 1.975 183 K HA -0.076 4.245 4.320 0.001 0.000 0.210 183 K C 0.702 177.282 176.600 -0.034 0.000 1.041 183 K CA 0.848 57.085 56.287 -0.084 0.000 0.942 183 K CB -0.020 32.413 32.500 -0.112 0.000 0.729 183 K HN 0.476 nan 8.250 nan 0.000 0.439 184 D N -0.045 120.346 120.400 -0.016 0.000 2.554 184 D HA -0.082 4.559 4.640 0.001 0.000 0.251 184 D C 0.080 176.379 176.300 -0.001 0.000 1.213 184 D CA 1.209 55.208 54.000 -0.002 0.000 0.900 184 D CB 0.563 41.369 40.800 0.009 0.000 1.135 184 D HN 0.631 nan 8.370 nan 0.000 0.522 185 G N 2.981 111.779 108.800 -0.002 0.000 4.681 185 G HA2 -0.055 3.905 3.960 0.001 0.000 0.220 185 G HA3 -0.055 3.905 3.960 0.001 0.000 0.220 185 G C -0.372 174.525 174.900 -0.005 0.000 0.713 185 G CA -0.267 44.831 45.100 -0.003 0.000 1.021 185 G HN 0.535 nan 8.290 nan 0.000 0.751 186 K N 0.321 120.719 120.400 -0.003 0.000 6.691 186 K HA -0.125 4.196 4.320 0.001 0.000 0.741 186 K C -0.761 175.835 176.600 -0.006 0.000 2.096 186 K CA 1.100 57.385 56.287 -0.004 0.000 1.671 186 K CB -1.333 31.164 32.500 -0.005 0.000 1.891 186 K HN 0.299 nan 8.250 nan 0.000 0.314 187 T N 1.286 115.837 114.554 -0.005 0.000 2.841 187 T HA 0.691 5.041 4.350 0.001 0.000 0.283 187 T C -0.683 174.010 174.700 -0.012 0.000 1.000 187 T CA -0.364 61.733 62.100 -0.004 0.000 0.977 187 T CB 1.831 70.702 68.868 0.006 0.000 0.979 187 T HN 0.601 nan 8.240 nan 0.000 0.446 188 A N 3.187 125.996 122.820 -0.017 0.000 3.007 188 A HA 0.580 4.900 4.320 0.001 0.000 0.314 188 A C 0.822 178.385 177.584 -0.035 0.000 1.153 188 A CA -0.557 51.461 52.037 -0.032 0.000 0.780 188 A CB -0.016 18.966 19.000 -0.030 0.000 1.258 188 A HN 0.639 nan 8.150 nan 0.000 0.460 189 V N 1.089 120.975 119.914 -0.047 0.000 2.246 189 V HA -0.200 3.921 4.120 0.001 0.000 0.237 189 V C 1.763 177.829 176.094 -0.046 0.000 1.025 189 V CA 2.510 64.783 62.300 -0.044 0.000 0.993 189 V CB -0.328 31.449 31.823 -0.076 0.000 0.642 189 V HN 0.791 nan 8.190 nan 0.000 0.466 190 D N -1.914 118.443 120.400 -0.071 0.000 3.136 190 D HA 0.124 4.765 4.640 0.001 0.000 0.254 190 D C 1.708 177.969 176.300 -0.065 0.000 1.563 190 D CA 0.198 54.163 54.000 -0.058 0.000 1.225 190 D CB 0.296 41.062 40.800 -0.058 0.000 1.079 190 D HN 0.384 nan 8.370 nan 0.000 0.314 191 Q N 0.246 119.997 119.800 -0.081 0.000 2.118 191 Q HA 0.172 4.513 4.340 0.001 0.000 0.219 191 Q C -0.987 174.958 176.000 -0.091 0.000 0.794 191 Q CA 0.039 55.798 55.803 -0.073 0.000 1.035 191 Q CB 1.768 30.472 28.738 -0.057 0.000 1.177 191 Q HN 0.218 nan 8.270 nan 0.000 0.478 192 E N 1.113 121.236 120.200 -0.128 0.000 2.264 192 E HA -0.200 4.151 4.350 0.001 0.000 0.223 192 E C -0.991 175.573 176.600 -0.060 0.000 1.220 192 E CA 0.181 56.495 56.400 -0.144 0.000 0.692 192 E CB -1.525 28.105 29.700 -0.117 0.000 1.203 192 E HN 0.427 nan 8.360 nan 0.000 0.384 193 H N -2.450 116.617 119.070 -0.005 0.000 2.791 193 H HA -0.205 4.351 4.556 0.001 0.000 0.302 193 H C 1.106 176.418 175.328 -0.026 0.000 1.198 193 H CA 2.021 58.066 56.048 -0.006 0.000 1.145 193 H CB -1.808 27.977 29.762 0.038 0.000 1.385 193 H HN 1.122 nan 8.280 nan 0.000 0.409 194 G N 0.162 108.981 108.800 0.032 0.000 2.212 194 G HA2 -0.249 3.712 3.960 0.001 0.000 0.255 194 G HA3 -0.249 3.712 3.960 0.001 0.000 0.255 194 G C 0.290 175.196 174.900 0.010 0.000 1.062 194 G CA 0.872 45.978 45.100 0.009 0.000 0.815 194 G HN 1.034 nan 8.290 nan 0.000 0.497 195 T N 0.001 114.534 114.554 -0.035 0.000 2.183 195 T HA -0.169 4.182 4.350 0.001 0.000 0.552 195 T C 0.654 175.340 174.700 -0.023 0.000 0.866 195 T CA 1.227 63.260 62.100 -0.111 0.000 2.936 195 T CB -1.215 67.625 68.868 -0.047 0.000 1.770 195 T HN 1.981 nan 8.240 nan 0.000 0.456 196 H N -0.751 118.357 119.070 0.063 0.000 2.819 196 H HA -0.160 4.397 4.556 0.001 0.000 0.315 196 H C 1.054 176.420 175.328 0.064 0.000 1.242 196 H CA 0.817 56.902 56.048 0.062 0.000 1.157 196 H CB -2.089 27.696 29.762 0.039 0.000 1.451 196 H HN 1.216 nan 8.280 nan 0.000 0.430 197 V N -1.254 118.760 119.914 0.167 0.000 5.117 197 V HA -0.348 3.772 4.120 0.001 0.000 0.285 197 V C 1.073 177.217 176.094 0.084 0.000 0.490 197 V CA 1.420 63.789 62.300 0.115 0.000 0.728 197 V CB -2.027 29.839 31.823 0.073 0.000 0.597 197 V HN 0.861 nan 8.190 nan 0.000 1.265 198 S N -1.083 114.667 115.700 0.083 0.000 3.524 198 S HA -0.062 4.409 4.470 0.001 0.000 0.377 198 S C 1.549 176.181 174.600 0.055 0.000 0.949 198 S CA 1.068 59.300 58.200 0.054 0.000 1.264 198 S CB -1.266 61.949 63.200 0.025 0.000 0.918 198 S HN 2.700 nan 8.310 nan 0.000 0.517 199 G N 0.398 109.247 108.800 0.081 0.000 2.221 199 G HA2 -0.274 3.687 3.960 0.001 0.000 0.265 199 G HA3 -0.274 3.687 3.960 0.001 0.000 0.265 199 G C 0.233 175.160 174.900 0.044 0.000 1.041 199 G CA 0.001 45.137 45.100 0.059 0.000 0.807 199 G HN 1.634 nan 8.290 nan 0.000 0.502 200 I N -2.350 118.254 120.570 0.057 0.000 8.673 200 I HA -0.230 3.941 4.170 0.001 0.000 0.126 200 I C 0.837 176.974 176.117 0.033 0.000 1.860 200 I CA 0.710 62.035 61.300 0.042 0.000 2.038 200 I CB -0.380 37.636 38.000 0.026 0.000 3.874 200 I HN 1.050 nan 8.210 nan 0.000 0.169 201 L N 4.098 125.342 121.223 0.034 0.000 2.586 201 L HA -0.105 4.236 4.340 0.001 0.000 0.690 201 L C 0.026 176.908 176.870 0.019 0.000 1.053 201 L CA 0.915 55.774 54.840 0.032 0.000 1.383 201 L CB -1.507 40.569 42.059 0.027 0.000 2.057 201 L HN 1.049 nan 8.230 nan 0.000 0.951 202 S N 0.105 115.811 115.700 0.011 0.000 2.683 202 S HA 0.818 5.289 4.470 0.001 0.000 0.264 202 S C -0.214 174.362 174.600 -0.040 0.000 1.066 202 S CA 0.061 58.252 58.200 -0.014 0.000 0.846 202 S CB 1.768 64.961 63.200 -0.012 0.000 1.114 202 S HN 2.202 nan 8.310 nan 0.000 0.476 203 G N 0.628 109.366 108.800 -0.104 0.000 3.434 203 G HA2 0.376 4.337 3.960 0.001 0.000 0.686 203 G HA3 0.376 4.337 3.960 0.001 0.000 0.686 203 G C -1.026 173.626 174.900 -0.414 0.000 1.099 203 G CA -0.118 44.847 45.100 -0.224 0.000 0.931 203 G HN 1.609 nan 8.290 nan 0.000 0.520 204 N N -0.231 117.977 118.700 -0.820 0.000 3.521 204 N HA 0.842 5.583 4.740 0.001 0.000 0.228 204 N C -0.675 174.404 175.510 -0.717 0.000 1.328 204 N CA 0.596 53.158 53.050 -0.814 0.000 0.907 204 N CB 1.406 39.742 38.487 -0.251 0.000 1.487 204 N HN 2.076 nan 8.380 nan 0.000 0.503 205 A N 2.056 124.686 122.820 -0.315 0.000 2.664 205 A HA 0.472 4.793 4.320 0.001 0.000 0.300 205 A C -2.887 174.764 177.584 0.111 0.000 1.210 205 A CA -0.656 51.328 52.037 -0.090 0.000 0.863 205 A CB 0.378 19.333 19.000 -0.074 0.000 1.464 205 A HN 0.471 nan 8.150 nan 0.000 0.438 206 P HA 0.347 nan 4.420 nan 0.000 0.281 206 P C 0.316 177.669 177.300 0.089 0.000 1.274 206 P CA 0.904 64.053 63.100 0.082 0.000 0.794 206 P CB 0.358 32.085 31.700 0.046 0.000 1.201 207 S N -1.287 114.460 115.700 0.079 0.000 2.859 207 S HA -0.089 4.381 4.470 0.001 0.000 0.857 207 S C -0.575 174.086 174.600 0.102 0.000 0.890 207 S CA -0.064 58.184 58.200 0.080 0.000 1.462 207 S CB -1.605 61.639 63.200 0.074 0.000 1.049 207 S HN 0.590 nan 8.310 nan 0.000 0.232 208 E N 2.158 122.416 120.200 0.097 0.000 3.313 208 E HA 0.124 4.474 4.350 0.001 0.000 0.164 208 E C -0.540 176.127 176.600 0.110 0.000 0.947 208 E CA -0.363 56.112 56.400 0.125 0.000 1.390 208 E CB 1.030 30.794 29.700 0.106 0.000 1.058 208 E HN 0.643 nan 8.360 nan 0.000 0.436 209 T N 1.168 115.774 114.554 0.087 0.000 2.940 209 T HA 0.017 4.367 4.350 0.001 0.000 0.309 209 T C 0.816 175.557 174.700 0.069 0.000 1.056 209 T CA 0.386 62.529 62.100 0.070 0.000 1.137 209 T CB 0.597 69.501 68.868 0.061 0.000 0.976 209 T HN 0.284 nan 8.240 nan 0.000 0.547 210 K N -0.505 119.927 120.400 0.054 0.000 3.495 210 K HA -0.189 4.131 4.320 0.001 0.000 0.288 210 K C -0.046 176.582 176.600 0.048 0.000 0.908 210 K CA 1.509 57.820 56.287 0.039 0.000 1.231 210 K CB -0.775 31.745 32.500 0.033 0.000 1.399 210 K HN 0.524 nan 8.250 nan 0.000 0.465 211 E N 1.567 121.830 120.200 0.104 0.000 2.166 211 E HA 0.049 4.400 4.350 0.001 0.000 0.279 211 E C -1.347 175.360 176.600 0.177 0.000 1.095 211 E CA -1.441 55.080 56.400 0.202 0.000 0.888 211 E CB 0.695 30.647 29.700 0.419 0.000 1.041 211 E HN 0.187 nan 8.360 nan 0.000 0.414 212 P HA -0.099 nan 4.420 nan 0.000 0.227 212 P C -0.393 176.966 177.300 0.098 0.000 1.161 212 P CA 0.746 63.836 63.100 -0.018 0.000 0.788 212 P CB 0.194 31.771 31.700 -0.205 0.000 0.822 213 Y N -1.946 118.389 120.300 0.058 0.000 2.536 213 Y HA 0.828 5.378 4.550 0.001 0.000 0.347 213 Y C 0.258 176.145 175.900 -0.020 0.000 1.000 213 Y CA -1.917 56.198 58.100 0.024 0.000 1.051 213 Y CB 1.032 39.505 38.460 0.023 0.000 1.259 213 Y HN -0.367 nan 8.280 nan 0.000 0.468 214 R N 0.771 121.281 120.500 0.017 0.000 3.173 214 R HA 0.494 4.835 4.340 0.001 0.000 0.225 214 R C 0.013 176.189 176.300 -0.207 0.000 1.587 214 R CA -1.051 54.912 56.100 -0.228 0.000 1.033 214 R CB 0.184 30.377 30.300 -0.178 0.000 1.804 214 R HN 0.837 nan 8.270 nan 0.000 0.526 215 L N 1.683 122.787 121.223 -0.198 0.000 2.779 215 L HA 0.215 4.555 4.340 0.001 0.000 0.239 215 L C -0.097 176.724 176.870 -0.083 0.000 1.245 215 L CA 0.764 55.528 54.840 -0.127 0.000 1.064 215 L CB -0.298 41.700 42.059 -0.101 0.000 1.350 215 L HN 0.612 nan 8.230 nan 0.000 0.455 216 E N -1.816 118.341 120.200 -0.072 0.000 2.626 216 E HA 0.128 4.478 4.350 0.001 0.000 0.194 216 E C 1.565 178.151 176.600 -0.024 0.000 0.950 216 E CA 0.470 56.843 56.400 -0.045 0.000 1.583 216 E CB 0.492 30.166 29.700 -0.045 0.000 1.881 216 E HN 0.226 nan 8.360 nan 0.000 0.979 217 G N 1.921 110.714 108.800 -0.011 0.000 4.475 217 G HA2 -0.427 3.533 3.960 0.001 0.000 0.240 217 G HA3 -0.427 3.533 3.960 0.001 0.000 0.240 217 G C 0.704 175.618 174.900 0.024 0.000 1.662 217 G CA 1.055 46.174 45.100 0.032 0.000 1.658 217 G HN 0.665 nan 8.290 nan 0.000 0.824 221 E N 1.474 121.661 120.200 -0.021 0.000 2.370 221 E HA 0.525 4.875 4.350 0.001 0.000 0.194 221 E C 0.455 177.042 176.600 -0.022 0.000 1.057 221 E CA 0.164 56.553 56.400 -0.019 0.000 1.011 221 E CB 0.898 30.590 29.700 -0.013 0.000 1.132 221 E HN 0.522 nan 8.360 nan 0.000 0.450 222 A N 0.612 123.415 122.820 -0.028 0.000 2.330 222 A HA 0.515 4.836 4.320 0.001 0.000 0.329 222 A C 0.032 177.596 177.584 -0.033 0.000 1.135 222 A CA -0.619 51.401 52.037 -0.029 0.000 0.817 222 A CB 1.152 20.133 19.000 -0.031 0.000 1.269 222 A HN 0.023 nan 8.150 nan 0.000 0.469 223 Q N 0.140 119.926 119.800 -0.023 0.000 2.260 223 Q HA 0.561 4.901 4.340 0.001 0.000 0.242 223 Q C -1.092 174.891 176.000 -0.029 0.000 0.932 223 Q CA -0.227 55.559 55.803 -0.028 0.000 0.891 223 Q CB 1.353 30.100 28.738 0.015 0.000 1.222 223 Q HN 0.621 nan 8.270 nan 0.000 0.453 224 L N 2.016 123.203 121.223 -0.061 0.000 2.331 224 L HA 0.489 4.830 4.340 0.001 0.000 0.275 224 L C -0.638 176.218 176.870 -0.025 0.000 1.022 224 L CA -0.690 54.117 54.840 -0.055 0.000 0.812 224 L CB 1.035 43.033 42.059 -0.101 0.000 1.257 224 L HN 0.379 nan 8.230 nan 0.000 0.435 225 L N 4.484 125.716 121.223 0.015 0.000 2.353 225 L HA 0.488 4.828 4.340 0.001 0.000 0.270 225 L C -0.336 176.591 176.870 0.096 0.000 1.003 225 L CA -0.231 54.664 54.840 0.093 0.000 0.862 225 L CB 1.052 43.127 42.059 0.028 0.000 1.221 225 L HN 0.477 nan 8.230 nan 0.000 0.430 229 V N 3.646 123.532 119.914 -0.048 0.000 2.686 229 V HA 0.600 4.720 4.120 0.001 0.000 0.306 229 V C -0.276 175.865 176.094 0.080 0.000 1.065 229 V CA -0.771 61.499 62.300 -0.050 0.000 0.894 229 V CB 2.145 33.767 31.823 -0.336 0.000 1.004 229 V HN 0.723 nan 8.190 nan 0.000 0.424 230 E N 2.482 122.766 120.200 0.141 0.000 2.416 230 E HA 0.573 4.924 4.350 0.001 0.000 0.273 230 E C -1.261 175.305 176.600 -0.056 0.000 0.935 230 E CA -1.023 55.387 56.400 0.017 0.000 0.784 230 E CB 2.898 32.574 29.700 -0.040 0.000 1.301 230 E HN 0.578 nan 8.360 nan 0.000 0.454 231 I N 2.262 122.600 120.570 -0.387 0.000 2.421 231 I HA 0.117 4.288 4.170 0.001 0.000 0.291 231 I C -0.737 175.316 176.117 -0.106 0.000 1.089 231 I CA -0.015 61.078 61.300 -0.345 0.000 1.354 231 I CB 0.301 38.039 38.000 -0.436 0.000 1.413 231 I HN 0.055 nan 8.210 nan 0.000 0.513 232 V N 6.780 126.688 119.914 -0.010 0.000 2.555 232 V HA 0.302 4.423 4.120 0.001 0.000 0.283 232 V C -0.176 175.937 176.094 0.033 0.000 1.020 232 V CA -0.697 61.607 62.300 0.006 0.000 0.883 232 V CB 1.183 33.014 31.823 0.014 0.000 1.030 232 V HN 0.886 nan 8.190 nan 0.000 0.448 233 N N 3.194 121.907 118.700 0.022 0.000 2.929 233 N HA -0.121 4.619 4.740 0.001 0.000 0.246 233 N C 0.220 175.759 175.510 0.048 0.000 1.111 233 N CA 1.262 54.331 53.050 0.032 0.000 0.679 233 N CB -0.692 37.816 38.487 0.036 0.000 1.008 233 N HN 1.717 nan 8.380 nan 0.000 0.559 234 G N -0.705 108.122 108.800 0.045 0.000 2.788 234 G HA2 -0.118 3.843 3.960 0.001 0.000 0.686 234 G HA3 -0.118 3.843 3.960 0.001 0.000 0.686 234 G C 0.580 175.548 174.900 0.114 0.000 1.147 234 G CA -0.327 44.811 45.100 0.064 0.000 0.755 234 G HN 0.108 nan 8.290 nan 0.000 0.634 235 L N 1.903 123.200 121.223 0.123 0.000 2.083 235 L HA 0.093 4.433 4.340 0.001 0.000 0.209 235 L C 3.386 180.387 176.870 0.219 0.000 1.083 235 L CA 3.193 58.163 54.840 0.216 0.000 0.752 235 L CB -1.314 40.847 42.059 0.169 0.000 0.899 235 L HN 1.239 nan 8.230 nan 0.000 0.433 236 A N -0.199 122.702 122.820 0.136 0.000 1.986 236 A HA -0.255 4.066 4.320 0.001 0.000 0.220 236 A C 1.909 179.561 177.584 0.114 0.000 1.171 236 A CA 2.281 54.382 52.037 0.106 0.000 0.640 236 A CB -0.772 18.273 19.000 0.076 0.000 0.811 236 A HN 0.510 nan 8.150 nan 0.000 0.451 237 D N -2.695 117.785 120.400 0.133 0.000 2.271 237 D HA -0.001 4.640 4.640 0.001 0.000 0.206 237 D C 1.581 177.986 176.300 0.174 0.000 0.967 237 D CA 0.816 54.893 54.000 0.129 0.000 0.867 237 D CB -0.253 40.613 40.800 0.111 0.000 0.960 237 D HN 0.582 nan 8.370 nan 0.000 0.509 238 Y N 1.787 122.137 120.300 0.082 0.000 2.242 238 Y HA 0.004 4.555 4.550 0.001 0.000 0.291 238 Y C 2.131 178.127 175.900 0.159 0.000 1.137 238 Y CA 1.089 59.248 58.100 0.099 0.000 1.181 238 Y CB -0.389 38.135 38.460 0.107 0.000 0.989 238 Y HN -0.038 nan 8.280 nan 0.000 0.527 239 A N 0.861 123.713 122.820 0.052 0.000 1.897 239 A HA -0.109 4.212 4.320 0.001 0.000 0.215 239 A C 2.341 179.938 177.584 0.023 0.000 1.181 239 A CA 1.427 53.459 52.037 -0.008 0.000 0.620 239 A CB -0.520 18.515 19.000 0.059 0.000 0.821 239 A HN 0.495 nan 8.150 nan 0.000 0.443 240 R N -0.402 120.128 120.500 0.050 0.000 2.096 240 R HA -0.111 4.230 4.340 0.001 0.000 0.235 240 R C 1.819 178.144 176.300 0.042 0.000 1.127 240 R CA 1.507 57.640 56.100 0.056 0.000 0.968 240 R CB -0.403 29.939 30.300 0.070 0.000 0.861 240 R HN 0.507 nan 8.270 nan 0.000 0.440 241 N N 0.286 118.999 118.700 0.023 0.000 2.084 241 N HA -0.170 4.571 4.740 0.001 0.000 0.190 241 N C 1.475 176.857 175.510 -0.214 0.000 1.030 241 N CA 1.147 54.179 53.050 -0.030 0.000 0.849 241 N CB -0.399 38.095 38.487 0.012 0.000 1.012 241 N HN 0.274 nan 8.380 nan 0.000 0.423 242 Y N 0.960 121.066 120.300 -0.325 0.000 2.128 242 Y HA -0.259 4.291 4.550 0.001 0.000 0.284 242 Y C 2.315 178.064 175.900 -0.251 0.000 1.154 242 Y CA 1.224 59.105 58.100 -0.364 0.000 1.149 242 Y CB -0.093 38.135 38.460 -0.388 0.000 0.976 242 Y HN 0.110 nan 8.280 nan 0.000 0.505 243 A N -0.367 122.499 122.820 0.077 0.000 1.908 243 A HA -0.311 4.010 4.320 0.001 0.000 0.218 243 A C 1.995 179.583 177.584 0.007 0.000 1.181 243 A CA 2.013 54.077 52.037 0.045 0.000 0.627 243 A CB -0.834 18.203 19.000 0.061 0.000 0.818 243 A HN 0.531 nan 8.150 nan 0.000 0.445 244 Q N -0.301 119.497 119.800 -0.003 0.000 2.119 244 Q HA 0.039 4.380 4.340 0.001 0.000 0.201 244 Q C 2.011 177.992 176.000 -0.032 0.000 0.972 244 Q CA 1.904 57.738 55.803 0.052 0.000 0.847 244 Q CB -0.636 28.206 28.738 0.174 0.000 0.903 244 Q HN 0.559 nan 8.270 nan 0.000 0.433 245 A N 0.105 122.700 122.820 -0.375 0.000 2.024 245 A HA -0.135 4.186 4.320 0.001 0.000 0.220 245 A C 1.915 179.393 177.584 -0.177 0.000 1.164 245 A CA 1.607 53.284 52.037 -0.600 0.000 0.643 245 A CB -0.785 17.630 19.000 -0.976 0.000 0.806 245 A HN 0.630 nan 8.150 nan 0.000 0.451 246 I N -3.647 116.868 120.570 -0.091 0.000 3.081 246 I HA 0.150 4.321 4.170 0.001 0.000 0.274 246 I C 1.951 178.064 176.117 -0.007 0.000 1.178 246 I CA 0.767 62.027 61.300 -0.065 0.000 1.460 246 I CB -0.187 37.730 38.000 -0.140 0.000 1.137 246 I HN 0.028 nan 8.210 nan 0.000 0.443 247 R N 1.089 121.611 120.500 0.038 0.000 2.092 247 R HA -0.097 4.244 4.340 0.001 0.000 0.231 247 R C 1.609 177.961 176.300 0.086 0.000 1.119 247 R CA 1.672 57.835 56.100 0.104 0.000 0.970 247 R CB -0.425 29.909 30.300 0.056 0.000 0.864 247 R HN 0.460 nan 8.270 nan 0.000 0.440 248 D N 0.499 120.946 120.400 0.079 0.000 2.123 248 D HA -0.083 4.558 4.640 0.001 0.000 0.200 248 D C 1.831 178.100 176.300 -0.052 0.000 0.976 248 D CA 1.327 55.360 54.000 0.056 0.000 0.831 248 D CB -0.242 40.677 40.800 0.199 0.000 0.974 248 D HN 0.190 nan 8.370 nan 0.000 0.469 249 A N 1.184 123.976 122.820 -0.047 0.000 1.865 249 A HA -0.187 4.134 4.320 0.001 0.000 0.217 249 A C 2.398 179.939 177.584 -0.071 0.000 1.191 249 A CA 1.149 53.137 52.037 -0.082 0.000 0.623 249 A CB -0.851 18.115 19.000 -0.057 0.000 0.826 249 A HN 0.186 nan 8.150 nan 0.000 0.444 250 I N -0.141 120.406 120.570 -0.039 0.000 2.127 250 I HA -0.294 3.877 4.170 0.001 0.000 0.241 250 I C 2.228 178.314 176.117 -0.053 0.000 1.075 250 I CA 1.479 62.757 61.300 -0.036 0.000 1.334 250 I CB -0.567 37.441 38.000 0.012 0.000 1.040 250 I HN 0.362 nan 8.210 nan 0.000 0.405 251 N N 0.846 119.518 118.700 -0.046 0.000 2.272 251 N HA -0.125 4.616 4.740 0.001 0.000 0.185 251 N C 1.725 176.950 175.510 -0.474 0.000 1.014 251 N CA 1.209 54.135 53.050 -0.206 0.000 0.870 251 N CB -0.107 38.308 38.487 -0.120 0.000 0.975 251 N HN 0.383 nan 8.380 nan 0.000 0.433 252 L N -0.066 121.006 121.223 -0.252 0.000 2.599 252 L HA 0.134 4.474 4.340 0.001 0.000 0.230 252 L C 0.667 177.534 176.870 -0.005 0.000 1.141 252 L CA -0.058 54.699 54.840 -0.138 0.000 0.877 252 L CB -0.304 41.656 42.059 -0.165 0.000 1.009 252 L HN 0.096 nan 8.230 nan 0.000 0.447 253 G N 0.521 109.279 108.800 -0.071 0.000 2.417 253 G HA2 -0.205 3.756 3.960 0.001 0.000 0.291 253 G HA3 -0.205 3.756 3.960 0.001 0.000 0.291 253 G C 0.626 175.500 174.900 -0.043 0.000 1.094 253 G CA 0.232 45.300 45.100 -0.053 0.000 1.146 253 G HN 0.399 nan 8.290 nan 0.000 0.519 254 A N 0.491 123.281 122.820 -0.049 0.000 1.942 254 A HA 0.544 4.865 4.320 0.001 0.000 0.209 254 A C 2.009 179.562 177.584 -0.052 0.000 1.214 254 A CA 1.809 53.819 52.037 -0.043 0.000 0.686 254 A CB -0.128 18.846 19.000 -0.044 0.000 0.871 254 A HN 1.286 nan 8.150 nan 0.000 0.460 255 K N -2.627 117.735 120.400 -0.063 0.000 3.580 255 K HA -0.189 4.132 4.320 0.001 0.000 0.288 255 K C -0.039 176.525 176.600 -0.060 0.000 1.160 255 K CA 1.291 57.539 56.287 -0.064 0.000 1.053 255 K CB -1.733 30.734 32.500 -0.055 0.000 1.362 255 K HN 0.809 nan 8.250 nan 0.000 0.436 256 V N 1.175 121.057 119.914 -0.054 0.000 2.668 256 V HA 0.597 4.718 4.120 0.001 0.000 0.304 256 V C -1.412 174.654 176.094 -0.046 0.000 1.071 256 V CA -0.769 61.502 62.300 -0.048 0.000 0.894 256 V CB 1.608 33.407 31.823 -0.040 0.000 1.008 256 V HN 0.201 nan 8.190 nan 0.000 0.425 257 I N 7.063 127.602 120.570 -0.051 0.000 2.499 257 I HA 0.536 4.706 4.170 0.001 0.000 0.288 257 I C -0.112 175.984 176.117 -0.034 0.000 1.048 257 I CA -0.557 60.714 61.300 -0.049 0.000 1.062 257 I CB 2.094 40.045 38.000 -0.083 0.000 1.238 257 I HN 0.595 nan 8.210 nan 0.000 0.426 261 F N 2.601 122.642 119.950 0.151 0.000 2.925 261 F HA 0.598 5.125 4.527 0.001 0.000 0.302 261 F C 1.809 177.667 175.800 0.097 0.000 1.189 261 F CA 0.300 58.434 58.000 0.224 0.000 1.346 261 F CB 0.193 39.333 39.000 0.232 0.000 0.954 261 F HN 1.272 nan 8.300 nan 0.000 0.506 262 G N 1.162 110.031 108.800 0.114 0.000 2.602 262 G HA2 -0.405 3.555 3.960 0.001 0.000 0.317 262 G HA3 -0.405 3.555 3.960 0.001 0.000 0.317 262 G C 0.458 175.388 174.900 0.050 0.000 1.327 262 G CA 0.059 45.177 45.100 0.030 0.000 0.971 262 G HN 0.465 nan 8.290 nan 0.000 0.540 263 N N 2.154 120.859 118.700 0.010 0.000 2.498 263 N HA 0.333 5.073 4.740 0.001 0.000 0.277 263 N C 1.544 177.071 175.510 0.027 0.000 1.208 263 N CA 1.215 54.273 53.050 0.013 0.000 1.029 263 N CB -0.150 38.331 38.487 -0.012 0.000 1.403 263 N HN 1.168 nan 8.380 nan 0.000 0.500 264 A N 4.603 127.456 122.820 0.057 0.000 2.837 264 A HA -0.161 4.159 4.320 0.001 0.000 0.508 264 A C 1.471 179.072 177.584 0.028 0.000 0.672 264 A CA 3.011 55.077 52.037 0.049 0.000 1.847 264 A CB -1.471 17.550 19.000 0.035 0.000 0.915 264 A HN 1.735 nan 8.150 nan 0.000 0.592 265 A N -3.803 119.039 122.820 0.037 0.000 3.172 265 A HA -0.175 4.145 4.320 0.001 0.000 0.263 265 A C 0.998 178.601 177.584 0.031 0.000 1.215 265 A CA 1.665 53.733 52.037 0.053 0.000 1.065 265 A CB -2.248 16.769 19.000 0.028 0.000 1.148 265 A HN 1.220 nan 8.150 nan 0.000 0.904 266 L N -0.574 120.638 121.223 -0.018 0.000 2.628 266 L HA 0.388 4.729 4.340 0.001 0.000 0.229 266 L C 1.410 178.192 176.870 -0.147 0.000 1.137 266 L CA 0.250 55.055 54.840 -0.058 0.000 0.909 266 L CB -0.008 42.003 42.059 -0.080 0.000 1.137 266 L HN 0.689 nan 8.230 nan 0.000 0.470 267 A N -0.281 122.433 122.820 -0.177 0.000 2.553 267 A HA 0.022 4.343 4.320 0.001 0.000 0.258 267 A C 0.132 177.552 177.584 -0.273 0.000 1.069 267 A CA 0.243 52.013 52.037 -0.445 0.000 0.767 267 A CB -0.733 17.963 19.000 -0.507 0.000 0.997 267 A HN 0.504 nan 8.150 nan 0.000 0.512 268 Y N -1.533 118.725 120.300 -0.070 0.000 4.668 268 Y HA -0.251 4.299 4.550 0.001 0.000 0.234 268 Y C 1.170 177.057 175.900 -0.023 0.000 1.056 268 Y CA 0.395 58.472 58.100 -0.038 0.000 2.025 268 Y CB -2.390 36.072 38.460 0.004 0.000 1.613 268 Y HN 1.143 nan 8.280 nan 0.000 0.653 269 A N 0.405 123.244 122.820 0.032 0.000 2.445 269 A HA 0.497 4.818 4.320 0.001 0.000 0.242 269 A C 0.410 178.007 177.584 0.021 0.000 1.075 269 A CA -0.019 52.039 52.037 0.036 0.000 0.777 269 A CB 0.175 19.184 19.000 0.016 0.000 1.013 269 A HN 0.375 nan 8.150 nan 0.000 0.493 270 N N 0.812 119.532 118.700 0.033 0.000 2.707 270 N HA 0.447 5.187 4.740 0.001 0.000 0.235 270 N C -0.338 175.185 175.510 0.022 0.000 1.028 270 N CA -0.283 52.778 53.050 0.020 0.000 0.906 270 N CB 0.576 39.078 38.487 0.026 0.000 1.131 270 N HN 0.642 nan 8.380 nan 0.000 0.509 271 L N 0.195 121.424 121.223 0.010 0.000 2.431 271 L HA 0.828 5.169 4.340 0.001 0.000 0.260 271 L C -1.745 175.133 176.870 0.014 0.000 1.098 271 L CA -1.802 53.054 54.840 0.025 0.000 0.800 271 L CB 0.025 42.101 42.059 0.028 0.000 1.210 271 L HN 0.212 nan 8.230 nan 0.000 0.465 272 P HA -0.016 nan 4.420 nan 0.000 0.271 272 P C -0.469 176.839 177.300 0.014 0.000 1.238 272 P CA -0.063 63.051 63.100 0.024 0.000 0.794 272 P CB 0.419 32.141 31.700 0.037 0.000 0.959 273 D N -0.543 119.867 120.400 0.016 0.000 2.363 273 D HA -0.100 4.541 4.640 0.001 0.000 0.226 273 D C 1.039 177.357 176.300 0.031 0.000 1.020 273 D CA 0.705 54.714 54.000 0.014 0.000 0.892 273 D CB -0.407 40.401 40.800 0.013 0.000 0.900 273 D HN 0.261 nan 8.370 nan 0.000 0.531 274 E N -0.096 120.126 120.200 0.037 0.000 2.204 274 E HA -0.073 4.278 4.350 0.001 0.000 0.194 274 E C 1.748 178.393 176.600 0.075 0.000 0.989 274 E CA 1.260 57.689 56.400 0.048 0.000 0.824 274 E CB -0.178 29.549 29.700 0.046 0.000 0.756 274 E HN 0.288 nan 8.360 nan 0.000 0.477 275 T N 1.099 115.697 114.554 0.073 0.000 2.668 275 T HA -0.150 4.201 4.350 0.001 0.000 0.258 275 T C 1.706 176.532 174.700 0.209 0.000 1.051 275 T CA 1.653 63.828 62.100 0.126 0.000 1.155 275 T CB -0.233 68.652 68.868 0.028 0.000 0.864 275 T HN 0.298 nan 8.240 nan 0.000 0.413 276 K N 1.342 121.770 120.400 0.046 0.000 2.152 276 K HA -0.119 4.202 4.320 0.001 0.000 0.206 276 K C 2.191 178.883 176.600 0.153 0.000 1.048 276 K CA 1.400 57.704 56.287 0.029 0.000 0.933 276 K CB -0.148 32.327 32.500 -0.042 0.000 0.721 276 K HN 0.076 nan 8.250 nan 0.000 0.447 277 K N 1.450 121.924 120.400 0.123 0.000 2.057 277 K HA -0.051 4.270 4.320 0.001 0.000 0.207 277 K C 2.116 178.815 176.600 0.165 0.000 1.049 277 K CA 1.539 57.895 56.287 0.115 0.000 0.931 277 K CB -0.553 31.987 32.500 0.066 0.000 0.714 277 K HN 0.294 nan 8.250 nan 0.000 0.440 278 A N -0.358 122.574 122.820 0.187 0.000 1.902 278 A HA -0.081 4.239 4.320 0.001 0.000 0.217 278 A C 2.061 179.732 177.584 0.144 0.000 1.181 278 A CA 1.447 53.577 52.037 0.155 0.000 0.623 278 A CB -0.828 18.223 19.000 0.086 0.000 0.818 278 A HN 0.322 nan 8.150 nan 0.000 0.443 279 F N 0.912 120.882 119.950 0.034 0.000 2.134 279 F HA -0.153 4.374 4.527 0.001 0.000 0.299 279 F C 2.167 177.986 175.800 0.032 0.000 1.097 279 F CA 1.583 59.592 58.000 0.016 0.000 1.264 279 F CB -0.447 38.545 39.000 -0.014 0.000 1.001 279 F HN 0.230 nan 8.300 nan 0.000 0.479 280 D N -1.029 119.514 120.400 0.238 0.000 2.123 280 D HA -0.250 4.391 4.640 0.001 0.000 0.196 280 D C 2.067 178.450 176.300 0.139 0.000 0.992 280 D CA 1.366 55.458 54.000 0.153 0.000 0.833 280 D CB -0.804 40.075 40.800 0.131 0.000 0.954 280 D HN 0.301 nan 8.370 nan 0.000 0.455 281 Y N 1.750 122.071 120.300 0.035 0.000 2.224 281 Y HA -0.145 4.405 4.550 0.001 0.000 0.289 281 Y C 2.280 178.172 175.900 -0.013 0.000 1.146 281 Y CA 1.306 59.412 58.100 0.010 0.000 1.182 281 Y CB -0.413 38.051 38.460 0.006 0.000 0.983 281 Y HN -0.056 nan 8.280 nan 0.000 0.524 282 A N 0.202 122.970 122.820 -0.088 0.000 1.898 282 A HA -0.193 4.128 4.320 0.001 0.000 0.216 282 A C 2.335 179.824 177.584 -0.159 0.000 1.181 282 A CA 1.812 53.735 52.037 -0.190 0.000 0.620 282 A CB -0.713 18.181 19.000 -0.177 0.000 0.819 282 A HN 0.492 nan 8.150 nan 0.000 0.442 283 K N 0.436 120.793 120.400 -0.072 0.000 2.057 283 K HA -0.147 4.174 4.320 0.001 0.000 0.206 283 K C 2.255 178.813 176.600 -0.071 0.000 1.050 283 K CA 1.763 58.024 56.287 -0.044 0.000 0.935 283 K CB -0.214 32.294 32.500 0.013 0.000 0.715 283 K HN 0.591 nan 8.250 nan 0.000 0.439 284 S N 0.366 116.014 115.700 -0.086 0.000 2.419 284 S HA -0.056 4.415 4.470 0.001 0.000 0.233 284 S C 1.382 175.898 174.600 -0.140 0.000 1.016 284 S CA 0.807 58.955 58.200 -0.087 0.000 0.974 284 S CB -0.027 63.144 63.200 -0.049 0.000 0.786 284 S HN 0.173 nan 8.310 nan 0.000 0.492 285 K N 0.950 121.209 120.400 -0.235 0.000 2.387 285 K HA 0.304 4.625 4.320 0.001 0.000 0.198 285 K C 1.184 177.700 176.600 -0.141 0.000 1.022 285 K CA 0.462 56.616 56.287 -0.221 0.000 1.128 285 K CB -0.299 31.986 32.500 -0.359 0.000 0.853 285 K HN 0.565 nan 8.250 nan 0.000 0.523 286 G N 1.411 110.146 108.800 -0.109 0.000 2.198 286 G HA2 -0.238 3.723 3.960 0.001 0.000 0.260 286 G HA3 -0.238 3.723 3.960 0.001 0.000 0.260 286 G C 0.026 174.880 174.900 -0.077 0.000 1.025 286 G CA 0.293 45.349 45.100 -0.073 0.000 0.769 286 G HN 0.127 nan 8.290 nan 0.000 0.507 287 V N 1.080 120.932 119.914 -0.103 0.000 2.439 287 V HA 0.672 4.793 4.120 0.001 0.000 0.282 287 V C 0.883 176.927 176.094 -0.084 0.000 1.039 287 V CA -0.026 62.214 62.300 -0.100 0.000 0.913 287 V CB 1.724 33.468 31.823 -0.133 0.000 0.983 287 V HN 0.932 nan 8.190 nan 0.000 0.460 288 S N 5.937 121.597 115.700 -0.066 0.000 2.508 288 S HA 0.708 5.178 4.470 0.001 0.000 0.284 288 S C -0.678 173.887 174.600 -0.058 0.000 1.192 288 S CA -0.617 57.554 58.200 -0.048 0.000 1.070 288 S CB 0.963 64.144 63.200 -0.031 0.000 1.004 288 S HN 0.515 nan 8.310 nan 0.000 0.493 289 I N 3.281 123.824 120.570 -0.046 0.000 2.382 289 I HA 0.394 4.565 4.170 0.001 0.000 0.286 289 I C -1.044 175.085 176.117 0.021 0.000 1.002 289 I CA -0.897 60.371 61.300 -0.054 0.000 1.135 289 I CB 1.810 39.725 38.000 -0.141 0.000 1.288 289 I HN 0.446 nan 8.210 nan 0.000 0.448 290 V N 4.944 124.869 119.914 0.017 0.000 2.540 290 V HA 0.567 4.688 4.120 0.001 0.000 0.302 290 V C -0.044 176.083 176.094 0.055 0.000 1.035 290 V CA -0.391 61.931 62.300 0.038 0.000 0.873 290 V CB 1.965 33.799 31.823 0.018 0.000 0.992 290 V HN 0.774 nan 8.190 nan 0.000 0.428 291 T N 2.415 117.020 114.554 0.084 0.000 2.887 291 T HA 0.541 4.892 4.350 0.001 0.000 0.292 291 T C -0.277 174.475 174.700 0.087 0.000 1.087 291 T CA -0.312 61.855 62.100 0.111 0.000 1.009 291 T CB 1.976 70.978 68.868 0.224 0.000 1.203 291 T HN 0.640 nan 8.240 nan 0.000 0.518 292 S N 1.163 116.918 115.700 0.091 0.000 2.586 292 S HA 0.533 5.004 4.470 0.001 0.000 0.274 292 S C 1.353 175.986 174.600 0.056 0.000 1.281 292 S CA -0.235 58.002 58.200 0.061 0.000 1.035 292 S CB 1.303 64.533 63.200 0.051 0.000 0.962 292 S HN 0.845 nan 8.310 nan 0.000 0.512 293 A N 1.785 124.623 122.820 0.030 0.000 2.067 293 A HA 0.500 4.821 4.320 0.001 0.000 0.217 293 A C 1.153 178.742 177.584 0.009 0.000 1.156 293 A CA 0.722 52.765 52.037 0.010 0.000 0.683 293 A CB -0.941 18.054 19.000 -0.009 0.000 0.808 293 A HN 1.694 nan 8.150 nan 0.000 0.455 294 G N -1.248 107.566 108.800 0.023 0.000 2.770 294 G HA2 -0.060 3.901 3.960 0.001 0.000 0.686 294 G HA3 -0.060 3.901 3.960 0.001 0.000 0.686 294 G C -0.320 174.609 174.900 0.048 0.000 1.180 294 G CA -0.138 44.981 45.100 0.033 0.000 0.767 294 G HN 0.171 nan 8.290 nan 0.000 0.646 295 N N 0.029 118.769 118.700 0.066 0.000 2.220 295 N HA 0.121 4.861 4.740 0.001 0.000 0.195 295 N C -0.089 175.514 175.510 0.155 0.000 1.123 295 N CA 0.440 53.547 53.050 0.094 0.000 0.874 295 N CB 0.962 39.491 38.487 0.070 0.000 0.995 295 N HN 0.570 nan 8.380 nan 0.000 0.498 296 D N -0.179 120.301 120.400 0.134 0.000 2.443 296 D HA 0.283 4.924 4.640 0.001 0.000 0.281 296 D C -0.409 175.988 176.300 0.162 0.000 1.210 296 D CA -0.163 53.918 54.000 0.135 0.000 0.875 296 D CB 0.234 41.059 40.800 0.043 0.000 1.125 296 D HN -0.252 nan 8.370 nan 0.000 0.503 297 S N -0.164 115.702 115.700 0.277 0.000 2.593 297 S HA 0.130 4.601 4.470 0.001 0.000 0.236 297 S C 0.379 175.226 174.600 0.412 0.000 0.991 297 S CA -0.494 57.880 58.200 0.289 0.000 0.963 297 S CB 0.243 63.608 63.200 0.274 0.000 0.865 297 S HN 0.462 nan 8.310 nan 0.000 0.488 298 S N 0.927 116.881 115.700 0.423 0.000 2.525 298 S HA 0.643 5.114 4.470 0.001 0.000 0.290 298 S C -0.384 174.433 174.600 0.361 0.000 1.152 298 S CA -0.698 57.728 58.200 0.378 0.000 1.072 298 S CB 0.677 64.059 63.200 0.303 0.000 1.027 298 S HN 0.240 nan 8.310 nan 0.000 0.500 299 F N 2.825 122.938 119.950 0.271 0.000 2.623 299 F HA 0.386 4.914 4.527 0.001 0.000 0.383 299 F C 1.567 177.560 175.800 0.322 0.000 1.077 299 F CA 1.904 60.083 58.000 0.298 0.000 1.268 299 F CB -0.181 38.954 39.000 0.225 0.000 1.053 299 F HN 1.143 nan 8.300 nan 0.000 0.571 300 G N 2.555 111.416 108.800 0.101 0.000 2.258 300 G HA2 0.102 4.063 3.960 0.001 0.000 0.233 300 G HA3 0.102 4.063 3.960 0.001 0.000 0.233 300 G C 0.772 175.787 174.900 0.192 0.000 1.006 300 G CA 0.121 45.443 45.100 0.370 0.000 0.620 300 G HN 2.171 nan 8.290 nan 0.000 0.511 301 G N -0.549 108.323 108.800 0.120 0.000 2.757 301 G HA2 0.103 4.064 3.960 0.001 0.000 0.638 301 G HA3 0.103 4.064 3.960 0.001 0.000 0.638 301 G C 0.393 175.151 174.900 -0.238 0.000 1.344 301 G CA 0.737 45.802 45.100 -0.058 0.000 0.855 301 G HN 1.160 nan 8.290 nan 0.000 0.537 302 K N -0.774 119.269 120.400 -0.596 0.000 2.209 302 K HA -0.076 4.244 4.320 0.001 0.000 0.204 302 K C 2.554 178.751 176.600 -0.673 0.000 1.048 302 K CA 2.395 58.016 56.287 -1.109 0.000 0.940 302 K CB -0.339 31.466 32.500 -1.157 0.000 0.729 302 K HN 0.869 nan 8.250 nan 0.000 0.451 303 T N -1.877 112.453 114.554 -0.373 0.000 3.148 303 T HA 0.124 4.475 4.350 0.001 0.000 0.253 303 T C 0.568 175.216 174.700 -0.086 0.000 1.134 303 T CA -0.235 61.764 62.100 -0.168 0.000 1.051 303 T CB -0.007 68.804 68.868 -0.096 0.000 0.959 303 T HN 0.128 nan 8.240 nan 0.000 0.525 304 R N -0.630 119.837 120.500 -0.054 0.000 2.947 304 R HA 0.825 5.165 4.340 0.001 0.000 0.253 304 R C -1.355 175.018 176.300 0.122 0.000 1.208 304 R CA -1.091 55.011 56.100 0.005 0.000 1.012 304 R CB 1.269 31.578 30.300 0.015 0.000 1.267 304 R HN 0.092 nan 8.270 nan 0.000 0.473 305 L N 0.722 122.021 121.223 0.126 0.000 2.409 305 L HA 0.538 4.878 4.340 0.001 0.000 0.262 305 L C -2.544 174.566 176.870 0.400 0.000 0.992 305 L CA -2.336 52.619 54.840 0.192 0.000 0.817 305 L CB 2.737 44.809 42.059 0.023 0.000 1.350 305 L HN 0.256 nan 8.230 nan 0.000 0.411 306 P HA 0.227 nan 4.420 nan 0.000 0.274 306 P C -0.840 176.719 177.300 0.431 0.000 1.231 306 P CA -0.317 62.964 63.100 0.301 0.000 0.790 306 P CB 0.623 32.330 31.700 0.010 0.000 0.951 307 L N 1.599 122.997 121.223 0.292 0.000 2.380 307 L HA 0.201 4.542 4.340 0.001 0.000 0.273 307 L C 1.664 178.579 176.870 0.075 0.000 1.138 307 L CA -0.247 54.675 54.840 0.138 0.000 0.832 307 L CB 0.652 42.771 42.059 0.100 0.000 1.124 307 L HN 0.466 nan 8.230 nan 0.000 0.454 308 A N 1.845 124.464 122.820 -0.334 0.000 2.076 308 A HA -0.192 4.129 4.320 0.001 0.000 0.220 308 A C 1.373 178.738 177.584 -0.366 0.000 1.160 308 A CA 1.680 53.221 52.037 -0.826 0.000 0.653 308 A CB -0.547 18.055 19.000 -0.664 0.000 0.801 308 A HN 0.918 nan 8.150 nan 0.000 0.455 309 D N -1.889 118.354 120.400 -0.263 0.000 2.328 309 D HA 0.011 4.651 4.640 0.001 0.000 0.221 309 D C 0.016 176.008 176.300 -0.513 0.000 1.072 309 D CA 0.176 53.975 54.000 -0.336 0.000 0.850 309 D CB -0.375 40.172 40.800 -0.422 0.000 0.922 309 D HN 0.485 nan 8.370 nan 0.000 0.516 310 H N 0.710 119.876 119.070 0.160 0.000 2.448 310 H HA 0.196 4.753 4.556 0.001 0.000 0.237 310 H C -1.854 173.666 175.328 0.319 0.000 1.391 310 H CA -1.345 54.761 56.048 0.095 0.000 1.477 310 H CB 1.507 31.197 29.762 -0.121 0.000 1.520 310 H HN 0.058 nan 8.280 nan 0.000 0.502 311 P HA -0.104 nan 4.420 nan 0.000 0.230 311 P C 0.569 177.964 177.300 0.159 0.000 1.158 311 P CA 0.714 64.068 63.100 0.423 0.000 0.769 311 P CB 0.484 32.486 31.700 0.504 0.000 0.807 312 D N 0.451 120.875 120.400 0.040 0.000 2.558 312 D HA -0.013 4.627 4.640 0.001 0.000 0.221 312 D C 0.320 176.632 176.300 0.020 0.000 1.143 312 D CA -0.814 53.194 54.000 0.013 0.000 1.010 312 D CB -0.714 39.929 40.800 -0.261 0.000 1.068 312 D HN 0.224 nan 8.370 nan 0.000 0.511 313 Y N 0.192 120.525 120.300 0.056 0.000 2.531 313 Y HA 0.507 5.058 4.550 0.001 0.000 0.249 313 Y C 0.836 176.828 175.900 0.153 0.000 1.168 313 Y CA -1.135 57.002 58.100 0.061 0.000 1.226 313 Y CB -0.200 38.209 38.460 -0.084 0.000 1.177 313 Y HN 0.085 nan 8.280 nan 0.000 0.527 314 G N 1.121 109.975 108.800 0.091 0.000 2.432 314 G HA2 0.465 4.426 3.960 0.001 0.000 0.257 314 G HA3 0.465 4.426 3.960 0.001 0.000 0.257 314 G C -1.167 173.892 174.900 0.266 0.000 1.238 314 G CA -0.359 44.873 45.100 0.221 0.000 0.838 314 G HN 0.114 nan 8.290 nan 0.000 0.547 315 V N 2.775 122.828 119.914 0.231 0.000 2.349 315 V HA 0.198 4.319 4.120 0.001 0.000 0.284 315 V C 0.023 176.092 176.094 -0.042 0.000 1.014 315 V CA -0.737 61.625 62.300 0.103 0.000 0.826 315 V CB 1.497 33.275 31.823 -0.077 0.000 1.009 315 V HN 0.534 nan 8.190 nan 0.000 0.431 316 V N 4.589 124.431 119.914 -0.119 0.000 2.389 316 V HA 0.279 4.399 4.120 0.001 0.000 0.264 316 V C 1.570 177.345 176.094 -0.532 0.000 1.049 316 V CA 0.679 62.817 62.300 -0.270 0.000 0.932 316 V CB 0.846 32.548 31.823 -0.201 0.000 1.011 316 V HN 0.964 nan 8.190 nan 0.000 0.475 317 G N 3.874 112.469 108.800 -0.341 0.000 2.448 317 G HA2 -0.078 3.882 3.960 0.001 0.000 0.218 317 G HA3 -0.078 3.882 3.960 0.001 0.000 0.218 317 G C 0.754 175.421 174.900 -0.388 0.000 1.135 317 G CA 0.315 45.213 45.100 -0.337 0.000 0.784 317 G HN 0.588 nan 8.290 nan 0.000 0.543 318 T N 3.230 117.554 114.554 -0.383 0.000 2.817 318 T HA 0.414 4.764 4.350 0.001 0.000 0.293 318 T C -2.267 172.155 174.700 -0.465 0.000 0.964 318 T CA -0.918 60.874 62.100 -0.514 0.000 1.085 318 T CB 1.979 70.620 68.868 -0.378 0.000 0.921 318 T HN 0.015 nan 8.240 nan 0.000 0.502 319 P HA 0.141 nan 4.420 nan 0.000 0.268 319 P C 0.619 177.757 177.300 -0.271 0.000 1.204 319 P CA -0.188 62.719 63.100 -0.321 0.000 0.768 319 P CB 0.709 32.246 31.700 -0.272 0.000 0.842 320 A N 4.737 127.454 122.820 -0.173 0.000 1.903 320 A HA -0.240 4.080 4.320 0.001 0.000 0.219 320 A C 2.318 179.778 177.584 -0.206 0.000 1.191 320 A CA 2.586 54.536 52.037 -0.145 0.000 0.638 320 A CB -1.665 17.297 19.000 -0.064 0.000 0.823 320 A HN 0.601 nan 8.150 nan 0.000 0.451 321 A N -0.353 122.343 122.820 -0.206 0.000 1.958 321 A HA 0.129 4.449 4.320 0.001 0.000 0.221 321 A C 1.765 179.047 177.584 -0.504 0.000 1.178 321 A CA 1.739 53.619 52.037 -0.261 0.000 0.642 321 A CB -0.984 17.901 19.000 -0.193 0.000 0.816 321 A HN 1.405 nan 8.150 nan 0.000 0.453 322 A N 0.573 123.051 122.820 -0.570 0.000 3.056 322 A HA 0.396 4.717 4.320 0.001 0.000 0.274 322 A C -0.116 177.062 177.584 -0.677 0.000 1.661 322 A CA 0.033 51.489 52.037 -0.969 0.000 1.363 322 A CB -0.873 17.865 19.000 -0.437 0.000 1.139 322 A HN 0.353 nan 8.150 nan 0.000 0.598 323 D N 2.260 122.263 120.400 -0.662 0.000 2.470 323 D HA 0.230 4.871 4.640 0.001 0.000 0.226 323 D C 0.767 177.100 176.300 0.054 0.000 1.196 323 D CA 0.223 54.092 54.000 -0.219 0.000 0.979 323 D CB 0.177 40.891 40.800 -0.143 0.000 1.059 323 D HN 0.442 nan 8.370 nan 0.000 0.515 324 S N 1.570 117.361 115.700 0.152 0.000 2.593 324 S HA 0.075 4.545 4.470 0.001 0.000 0.269 324 S C 1.490 176.174 174.600 0.140 0.000 1.334 324 S CA -0.583 57.778 58.200 0.269 0.000 1.015 324 S CB 1.346 64.685 63.200 0.231 0.000 0.912 324 S HN 0.402 nan 8.310 nan 0.000 0.541 325 T N 1.175 115.795 114.554 0.111 0.000 2.720 325 T HA 0.035 4.386 4.350 0.001 0.000 0.268 325 T C 0.377 175.104 174.700 0.044 0.000 1.037 325 T CA 1.177 63.312 62.100 0.058 0.000 1.144 325 T CB -0.554 68.332 68.868 0.029 0.000 0.864 325 T HN 0.512 nan 8.240 nan 0.000 0.444 326 L N 0.365 121.617 121.223 0.049 0.000 2.493 326 L HA 0.365 4.705 4.340 0.001 0.000 0.265 326 L C -0.969 175.930 176.870 0.047 0.000 0.954 326 L CA -0.662 54.202 54.840 0.040 0.000 0.844 326 L CB 2.639 44.717 42.059 0.032 0.000 1.302 326 L HN -0.140 nan 8.230 nan 0.000 0.405 327 T N 2.437 117.014 114.554 0.037 0.000 2.756 327 T HA 0.437 4.788 4.350 0.001 0.000 0.290 327 T C -0.600 174.117 174.700 0.030 0.000 0.985 327 T CA -0.332 61.790 62.100 0.036 0.000 0.955 327 T CB 1.676 70.554 68.868 0.017 0.000 0.930 327 T HN 0.331 nan 8.240 nan 0.000 0.451 328 V N 2.864 122.800 119.914 0.036 0.000 2.495 328 V HA 0.920 5.041 4.120 0.001 0.000 0.298 328 V C -0.214 175.900 176.094 0.034 0.000 1.031 328 V CA -0.820 61.503 62.300 0.038 0.000 0.871 328 V CB 1.039 32.892 31.823 0.049 0.000 0.988 328 V HN 1.009 nan 8.190 nan 0.000 0.432 329 A N 5.034 127.872 122.820 0.031 0.000 2.293 329 A HA 0.871 5.191 4.320 0.001 0.000 0.302 329 A C 0.356 177.986 177.584 0.077 0.000 1.119 329 A CA 0.039 52.089 52.037 0.022 0.000 0.823 329 A CB 1.038 20.022 19.000 -0.027 0.000 1.097 329 A HN 1.744 nan 8.150 nan 0.000 0.491 330 S N 0.105 115.847 115.700 0.069 0.000 2.593 330 S HA 0.838 5.308 4.470 0.001 0.000 0.297 330 S C -0.680 174.012 174.600 0.153 0.000 1.112 330 S CA -0.449 57.813 58.200 0.103 0.000 1.043 330 S CB 1.082 64.303 63.200 0.035 0.000 1.054 330 S HN 1.519 nan 8.310 nan 0.000 0.516 331 Y N -1.203 119.087 120.300 -0.017 0.000 2.625 331 Y HA 0.786 5.336 4.550 0.001 0.000 0.338 331 Y C -0.714 175.212 175.900 0.043 0.000 1.123 331 Y CA -1.229 56.859 58.100 -0.019 0.000 1.046 331 Y CB 1.117 39.519 38.460 -0.096 0.000 1.299 331 Y HN 0.682 nan 8.280 nan 0.000 0.464 332 S N 3.402 119.150 115.700 0.080 0.000 2.422 332 S HA 0.645 5.116 4.470 0.001 0.000 0.308 332 S C -2.751 171.875 174.600 0.043 0.000 1.097 332 S CA -1.609 56.608 58.200 0.028 0.000 1.099 332 S CB 0.404 63.820 63.200 0.361 0.000 0.976 332 S HN 0.505 nan 8.310 nan 0.000 0.471 333 P HA 0.123 nan 4.420 nan 0.000 0.271 333 P C -0.039 177.320 177.300 0.098 0.000 1.244 333 P CA -0.199 62.931 63.100 0.050 0.000 0.793 333 P CB 0.368 32.036 31.700 -0.053 0.000 0.984 334 D N -0.436 120.038 120.400 0.122 0.000 2.378 334 D HA -0.055 4.586 4.640 0.001 0.000 0.227 334 D C -0.013 176.321 176.300 0.056 0.000 1.012 334 D CA 0.659 54.715 54.000 0.094 0.000 0.905 334 D CB -0.542 40.316 40.800 0.097 0.000 0.895 334 D HN 0.423 nan 8.370 nan 0.000 0.532 335 K N -1.460 118.962 120.400 0.038 0.000 2.557 335 K HA 0.475 4.796 4.320 0.001 0.000 0.261 335 K C -1.316 175.277 176.600 -0.012 0.000 0.932 335 K CA -0.941 55.354 56.287 0.014 0.000 0.829 335 K CB 1.717 34.224 32.500 0.013 0.000 1.358 335 K HN -0.072 nan 8.250 nan 0.000 0.430 336 Q N 1.855 121.644 119.800 -0.018 0.000 2.418 336 Q HA 0.307 4.648 4.340 0.001 0.000 0.282 336 Q C -1.377 174.598 176.000 -0.041 0.000 1.044 336 Q CA -1.112 54.664 55.803 -0.046 0.000 0.813 336 Q CB 2.859 31.569 28.738 -0.047 0.000 1.428 336 Q HN 0.638 nan 8.270 nan 0.000 0.402 337 L N 2.007 123.194 121.223 -0.059 0.000 2.530 337 L HA 0.241 4.582 4.340 0.001 0.000 0.273 337 L C -0.482 176.368 176.870 -0.032 0.000 1.141 337 L CA 0.919 55.732 54.840 -0.044 0.000 0.905 337 L CB 0.399 42.426 42.059 -0.053 0.000 1.202 337 L HN 0.659 nan 8.230 nan 0.000 0.473 338 T N 3.459 117.999 114.554 -0.022 0.000 2.883 338 T HA 0.347 4.698 4.350 0.001 0.000 0.296 338 T C -0.419 174.269 174.700 -0.020 0.000 1.117 338 T CA -0.776 61.314 62.100 -0.016 0.000 1.006 338 T CB 1.537 70.397 68.868 -0.013 0.000 1.191 338 T HN 0.570 nan 8.240 nan 0.000 0.508 339 E N 1.344 121.533 120.200 -0.018 0.000 2.369 339 E HA 0.473 4.824 4.350 0.001 0.000 0.255 339 E C 0.249 176.801 176.600 -0.079 0.000 1.172 339 E CA -0.114 56.269 56.400 -0.028 0.000 0.932 339 E CB 1.151 30.848 29.700 -0.004 0.000 1.040 339 E HN 0.850 nan 8.360 nan 0.000 0.454 340 T N -3.348 111.134 114.554 -0.120 0.000 2.778 340 T HA 0.653 5.004 4.350 0.001 0.000 0.293 340 T C -0.750 173.756 174.700 -0.322 0.000 1.144 340 T CA -0.834 61.154 62.100 -0.186 0.000 1.010 340 T CB 1.248 70.043 68.868 -0.122 0.000 1.325 340 T HN 0.138 nan 8.240 nan 0.000 0.515 341 V N 0.994 120.697 119.914 -0.351 0.000 2.697 341 V HA 0.486 4.606 4.120 0.001 0.000 0.300 341 V C -0.489 175.458 176.094 -0.245 0.000 1.115 341 V CA -0.966 61.065 62.300 -0.448 0.000 0.912 341 V CB 1.942 33.284 31.823 -0.802 0.000 1.024 341 V HN 0.897 nan 8.190 nan 0.000 0.431 342 R N 2.673 123.086 120.500 -0.146 0.000 2.459 342 R HA 0.795 5.136 4.340 0.001 0.000 0.281 342 R C -0.530 175.745 176.300 -0.042 0.000 1.050 342 R CA -0.476 55.579 56.100 -0.075 0.000 1.055 342 R CB 1.768 32.047 30.300 -0.034 0.000 1.045 342 R HN 0.651 nan 8.270 nan 0.000 0.495 343 V N -1.314 118.583 119.914 -0.028 0.000 2.971 343 V HA 0.519 4.640 4.120 0.001 0.000 0.309 343 V C -1.073 175.026 176.094 0.008 0.000 1.130 343 V CA -1.279 61.026 62.300 0.009 0.000 0.964 343 V CB 2.374 34.201 31.823 0.007 0.000 1.029 343 V HN 0.512 nan 8.190 nan 0.000 0.427 344 K N 2.587 123.001 120.400 0.023 0.000 2.211 344 K HA 0.579 4.899 4.320 0.001 0.000 0.275 344 K C -0.004 176.601 176.600 0.009 0.000 1.024 344 K CA -0.216 56.078 56.287 0.012 0.000 0.887 344 K CB 1.796 34.304 32.500 0.013 0.000 1.084 344 K HN 0.964 nan 8.250 nan 0.000 0.463 345 T N 1.094 115.647 114.554 -0.001 0.000 2.874 345 T HA 0.198 4.549 4.350 0.001 0.000 0.281 345 T C 1.656 176.353 174.700 -0.006 0.000 0.994 345 T CA -0.267 61.830 62.100 -0.005 0.000 1.015 345 T CB 1.448 70.309 68.868 -0.012 0.000 1.028 345 T HN 0.573 nan 8.240 nan 0.000 0.523 346 A N 1.755 124.569 122.820 -0.009 0.000 1.917 346 A HA -0.168 4.153 4.320 0.001 0.000 0.219 346 A C 1.934 179.513 177.584 -0.009 0.000 1.182 346 A CA 2.037 54.068 52.037 -0.010 0.000 0.633 346 A CB -0.786 18.206 19.000 -0.012 0.000 0.819 346 A HN 0.967 nan 8.150 nan 0.000 0.448 347 D N -1.660 118.735 120.400 -0.009 0.000 2.392 347 D HA -0.087 4.553 4.640 0.001 0.000 0.228 347 D C 0.132 176.428 176.300 -0.007 0.000 1.003 347 D CA 0.956 54.951 54.000 -0.009 0.000 0.917 347 D CB -0.370 40.424 40.800 -0.010 0.000 0.890 347 D HN 0.301 nan 8.370 nan 0.000 0.532 348 Q N 0.126 119.923 119.800 -0.006 0.000 2.416 348 Q HA -0.203 4.138 4.340 0.001 0.000 0.353 348 Q C -1.182 174.816 176.000 -0.005 0.000 1.408 348 Q CA 0.723 56.523 55.803 -0.004 0.000 0.939 348 Q CB -1.500 27.236 28.738 -0.004 0.000 1.112 348 Q HN 0.713 nan 8.270 nan 0.000 0.321 349 Q N 0.806 120.603 119.800 -0.005 0.000 2.545 349 Q HA 0.311 4.652 4.340 0.001 0.000 0.273 349 Q C -1.511 174.485 176.000 -0.007 0.000 0.975 349 Q CA -0.866 54.933 55.803 -0.006 0.000 0.876 349 Q CB 1.328 30.061 28.738 -0.008 0.000 1.472 349 Q HN 0.392 nan 8.270 nan 0.000 0.389 350 D N 2.343 122.738 120.400 -0.008 0.000 2.302 350 D HA 0.234 4.875 4.640 0.001 0.000 0.248 350 D C -0.658 175.630 176.300 -0.020 0.000 1.094 350 D CA 0.112 54.105 54.000 -0.011 0.000 0.897 350 D CB 1.351 42.146 40.800 -0.009 0.000 1.200 350 D HN 0.177 nan 8.370 nan 0.000 0.429 351 K N 2.129 122.512 120.400 -0.028 0.000 2.616 351 K HA 0.175 4.495 4.320 0.001 0.000 0.241 351 K C -0.533 176.034 176.600 -0.056 0.000 0.961 351 K CA -0.490 55.773 56.287 -0.039 0.000 0.942 351 K CB 1.043 33.518 32.500 -0.042 0.000 1.153 351 K HN 0.325 nan 8.250 nan 0.000 0.452 355 V N -1.171 118.693 119.914 -0.084 0.000 3.048 355 V HA 0.755 4.875 4.120 0.001 0.000 0.303 355 V C -1.644 174.452 176.094 0.004 0.000 1.214 355 V CA -0.695 61.560 62.300 -0.075 0.000 0.984 355 V CB 2.160 33.855 31.823 -0.214 0.000 1.054 355 V HN 0.701 nan 8.190 nan 0.000 0.430 356 L N 2.797 124.066 121.223 0.076 0.000 2.333 356 L HA 0.840 5.181 4.340 0.001 0.000 0.280 356 L C -0.303 176.639 176.870 0.120 0.000 1.004 356 L CA 0.032 54.929 54.840 0.095 0.000 0.820 356 L CB 1.965 44.092 42.059 0.113 0.000 1.247 356 L HN 0.983 nan 8.230 nan 0.000 0.416 357 S N 1.908 117.682 115.700 0.123 0.000 2.536 357 S HA 0.596 5.066 4.470 0.001 0.000 0.298 357 S C -0.607 174.081 174.600 0.147 0.000 1.083 357 S CA -0.489 57.822 58.200 0.185 0.000 0.995 357 S CB 2.121 65.484 63.200 0.272 0.000 1.058 357 S HN 0.601 nan 8.310 nan 0.000 0.488 358 T N 4.087 118.729 114.554 0.146 0.000 2.797 358 T HA 0.552 4.902 4.350 0.001 0.000 0.279 358 T C -0.510 174.238 174.700 0.079 0.000 0.991 358 T CA -0.367 61.784 62.100 0.085 0.000 0.979 358 T CB 0.347 69.247 68.868 0.053 0.000 0.943 358 T HN 0.725 nan 8.240 nan 0.000 0.444 359 N N 1.999 120.727 118.700 0.046 0.000 4.753 359 N HA -0.154 4.586 4.740 0.001 0.000 0.349 359 N C -0.761 174.775 175.510 0.043 0.000 1.769 359 N CA 0.269 53.322 53.050 0.004 0.000 2.863 359 N CB 0.091 38.539 38.487 -0.065 0.000 0.423 359 N HN 0.631 nan 8.380 nan 0.000 0.781 360 R N 0.675 121.185 120.500 0.018 0.000 2.346 360 R HA 0.494 4.835 4.340 0.001 0.000 0.311 360 R C 0.156 176.462 176.300 0.011 0.000 0.983 360 R CA -0.547 55.605 56.100 0.087 0.000 0.880 360 R CB 0.633 30.980 30.300 0.080 0.000 1.100 360 R HN 0.307 nan 8.270 nan 0.000 0.453 361 F N 0.992 120.842 119.950 -0.165 0.000 2.239 361 F HA 0.115 4.642 4.527 0.001 0.000 0.288 361 F C 1.093 176.847 175.800 -0.077 0.000 1.225 361 F CA -0.313 57.510 58.000 -0.294 0.000 1.162 361 F CB 0.481 38.957 39.000 -0.874 0.000 1.484 361 F HN 0.328 nan 8.300 nan 0.000 0.512 362 E N 1.453 121.811 120.200 0.264 0.000 2.089 362 E HA 0.216 4.567 4.350 0.001 0.000 0.284 362 E C -2.362 174.390 176.600 0.254 0.000 1.023 362 E CA -1.918 54.625 56.400 0.237 0.000 0.819 362 E CB 0.373 30.214 29.700 0.235 0.000 1.076 362 E HN 0.092 nan 8.360 nan 0.000 0.396 363 P HA -0.199 nan 4.420 nan 0.000 0.257 363 P C -0.441 176.961 177.300 0.169 0.000 1.162 363 P CA 0.723 63.926 63.100 0.172 0.000 0.762 363 P CB 0.079 31.850 31.700 0.119 0.000 0.753 364 N N 2.177 120.995 118.700 0.198 0.000 2.438 364 N HA -0.207 4.534 4.740 0.001 0.000 0.295 364 N C -0.104 175.505 175.510 0.165 0.000 1.416 364 N CA 0.402 53.554 53.050 0.169 0.000 0.646 364 N CB -0.096 38.455 38.487 0.107 0.000 0.955 364 N HN 0.248 nan 8.380 nan 0.000 0.502 365 K N 1.788 122.320 120.400 0.219 0.000 1.874 365 K HA 0.747 5.067 4.320 0.001 0.000 0.303 365 K C -0.494 176.189 176.600 0.138 0.000 0.934 365 K CA 0.407 56.775 56.287 0.134 0.000 0.681 365 K CB 0.495 33.038 32.500 0.073 0.000 3.365 365 K HN 0.582 nan 8.250 nan 0.000 1.184 366 A N 0.343 123.239 122.820 0.127 0.000 2.701 366 A HA 0.245 4.565 4.320 0.001 0.000 0.197 366 A C -1.174 176.515 177.584 0.174 0.000 1.464 366 A CA -0.440 51.684 52.037 0.144 0.000 1.393 366 A CB -0.752 18.284 19.000 0.059 0.000 1.108 366 A HN 0.400 nan 8.150 nan 0.000 0.570 367 Y N 1.794 122.191 120.300 0.162 0.000 3.073 367 Y HA -0.016 4.535 4.550 0.001 0.000 0.344 367 Y C 0.630 176.631 175.900 0.169 0.000 1.277 367 Y CA 1.315 59.520 58.100 0.175 0.000 1.534 367 Y CB 0.365 38.973 38.460 0.246 0.000 1.273 367 Y HN 0.402 nan 8.280 nan 0.000 0.633 368 D N 1.887 122.453 120.400 0.276 0.000 2.193 368 D HA 0.250 4.890 4.640 0.001 0.000 0.249 368 D C -0.947 175.497 176.300 0.240 0.000 1.034 368 D CA -0.261 53.826 54.000 0.144 0.000 0.902 368 D CB 1.564 42.400 40.800 0.060 0.000 1.182 368 D HN 0.480 nan 8.370 nan 0.000 0.436 369 Y N -1.229 119.155 120.300 0.141 0.000 2.477 369 Y HA 0.693 5.244 4.550 0.001 0.000 0.347 369 Y C -1.525 174.440 175.900 0.109 0.000 0.981 369 Y CA -1.493 56.689 58.100 0.136 0.000 1.033 369 Y CB 1.302 39.842 38.460 0.133 0.000 1.245 369 Y HN 0.336 nan 8.280 nan 0.000 0.455 370 A N 3.511 126.528 122.820 0.329 0.000 2.330 370 A HA 0.526 4.847 4.320 0.001 0.000 0.313 370 A C -1.765 175.978 177.584 0.266 0.000 1.124 370 A CA -0.810 51.368 52.037 0.236 0.000 0.774 370 A CB 0.471 19.551 19.000 0.133 0.000 1.198 370 A HN 0.825 nan 8.150 nan 0.000 0.465 371 Y N 2.282 122.665 120.300 0.139 0.000 2.578 371 Y HA 0.311 4.862 4.550 0.001 0.000 0.339 371 Y C 0.738 176.623 175.900 -0.025 0.000 1.231 371 Y CA 0.602 58.747 58.100 0.076 0.000 1.461 371 Y CB 0.916 39.422 38.460 0.075 0.000 1.323 371 Y HN 0.816 nan 8.280 nan 0.000 0.590 372 A N 4.969 127.332 122.820 -0.762 0.000 2.543 372 A HA 0.267 4.588 4.320 0.001 0.000 0.279 372 A C 0.540 177.586 177.584 -0.898 0.000 0.917 372 A CA 0.017 51.577 52.037 -0.795 0.000 1.036 372 A CB -0.510 17.933 19.000 -0.927 0.000 1.227 372 A HN 0.943 nan 8.150 nan 0.000 0.503 373 N N 0.442 118.246 118.700 -1.492 0.000 1.293 373 N HA -0.260 4.481 4.740 0.001 0.000 0.140 373 N C 0.522 175.824 175.510 -0.348 0.000 0.753 373 N CA 1.956 54.557 53.050 -0.748 0.000 0.979 373 N CB -0.678 37.612 38.487 -0.327 0.000 1.228 373 N HN 0.625 nan 8.380 nan 0.000 0.509 374 R N 1.522 121.907 120.500 -0.192 0.000 2.509 374 R HA 0.318 4.658 4.340 0.001 0.000 0.300 374 R C 1.033 177.307 176.300 -0.045 0.000 0.985 374 R CA 0.574 56.619 56.100 -0.092 0.000 1.092 374 R CB 0.353 30.634 30.300 -0.032 0.000 1.237 374 R HN 0.784 nan 8.270 nan 0.000 0.546 375 G N 1.166 109.885 108.800 -0.135 0.000 2.233 375 G HA2 -0.326 3.635 3.960 0.001 0.000 0.270 375 G HA3 -0.326 3.635 3.960 0.001 0.000 0.270 375 G C 0.740 175.779 174.900 0.231 0.000 1.011 375 G CA 1.227 46.373 45.100 0.076 0.000 0.762 375 G HN 0.341 nan 8.290 nan 0.000 0.511 376 T N -0.548 114.063 114.554 0.095 0.000 3.088 376 T HA 0.171 4.522 4.350 0.001 0.000 0.259 376 T C 1.367 176.118 174.700 0.085 0.000 1.122 376 T CA 1.317 63.468 62.100 0.084 0.000 1.095 376 T CB 0.323 69.218 68.868 0.044 0.000 0.930 376 T HN 0.623 nan 8.240 nan 0.000 0.508 377 K N 0.426 120.883 120.400 0.094 0.000 2.354 377 K HA 0.495 4.816 4.320 0.001 0.000 0.238 377 K C 0.741 177.423 176.600 0.137 0.000 1.068 377 K CA -0.730 55.608 56.287 0.085 0.000 0.925 377 K CB 1.041 33.571 32.500 0.051 0.000 1.286 377 K HN -0.248 nan 8.250 nan 0.000 0.500 378 E N 0.872 121.134 120.200 0.103 0.000 2.075 378 E HA -0.065 4.285 4.350 0.001 0.000 0.190 378 E C 0.742 177.425 176.600 0.137 0.000 0.969 378 E CA 1.086 57.556 56.400 0.117 0.000 0.815 378 E CB 0.041 29.781 29.700 0.067 0.000 0.776 378 E HN 0.437 nan 8.360 nan 0.000 0.457 379 D N 0.934 121.386 120.400 0.087 0.000 2.378 379 D HA -0.104 4.537 4.640 0.001 0.000 0.222 379 D C 0.695 177.022 176.300 0.046 0.000 0.980 379 D CA 0.534 54.574 54.000 0.066 0.000 0.907 379 D CB -0.151 40.674 40.800 0.042 0.000 0.899 379 D HN 0.159 nan 8.370 nan 0.000 0.527 380 D N -0.168 120.258 120.400 0.043 0.000 2.097 380 D HA -0.138 4.503 4.640 0.001 0.000 0.195 380 D C 0.801 176.952 176.300 -0.249 0.000 0.989 380 D CA 0.791 54.707 54.000 -0.140 0.000 0.827 380 D CB -0.275 40.405 40.800 -0.200 0.000 0.966 380 D HN 0.289 nan 8.370 nan 0.000 0.456 381 F N 0.677 120.619 119.950 -0.014 0.000 2.898 381 F HA 0.219 4.746 4.527 0.001 0.000 0.290 381 F C 1.640 177.449 175.800 0.014 0.000 1.195 381 F CA -0.551 57.451 58.000 0.003 0.000 1.387 381 F CB -0.028 38.978 39.000 0.009 0.000 0.976 381 F HN -0.279 nan 8.300 nan 0.000 0.510 382 K N 1.423 121.892 120.400 0.115 0.000 2.169 382 K HA -0.281 4.040 4.320 0.001 0.000 0.213 382 K C 1.231 177.887 176.600 0.093 0.000 1.050 382 K CA 2.740 59.079 56.287 0.087 0.000 0.935 382 K CB -0.122 32.410 32.500 0.052 0.000 0.722 382 K HN 0.540 nan 8.250 nan 0.000 0.468 383 D N -3.707 116.754 120.400 0.102 0.000 2.973 383 D HA 0.007 4.648 4.640 0.001 0.000 0.187 383 D C 0.992 177.367 176.300 0.124 0.000 1.467 383 D CA 0.601 54.658 54.000 0.095 0.000 1.515 383 D CB -0.106 40.737 40.800 0.071 0.000 1.182 383 D HN -0.021 nan 8.370 nan 0.000 0.213 384 V N 1.287 121.277 119.914 0.127 0.000 1.829 384 V HA -0.402 3.719 4.120 0.001 0.000 0.077 384 V C 1.800 177.968 176.094 0.123 0.000 0.722 384 V CA 1.959 64.351 62.300 0.154 0.000 1.573 384 V CB -2.028 29.938 31.823 0.238 0.000 1.665 384 V HN 0.323 nan 8.190 nan 0.000 0.866 385 K N 0.275 120.732 120.400 0.094 0.000 2.054 385 K HA -0.332 3.989 4.320 0.001 0.000 0.227 385 K C 1.724 178.366 176.600 0.071 0.000 1.019 385 K CA 2.486 58.815 56.287 0.070 0.000 0.978 385 K CB -0.546 31.985 32.500 0.053 0.000 0.782 385 K HN 0.818 nan 8.250 nan 0.000 0.454 386 G N -0.329 108.518 108.800 0.077 0.000 3.342 386 G HA2 0.049 4.010 3.960 0.001 0.000 0.252 386 G HA3 0.049 4.010 3.960 0.001 0.000 0.252 386 G C -0.275 174.702 174.900 0.128 0.000 1.011 386 G CA -0.390 44.760 45.100 0.083 0.000 0.869 386 G HN -0.040 nan 8.290 nan 0.000 0.514 387 K N 0.831 121.313 120.400 0.137 0.000 2.237 387 K HA 0.332 4.653 4.320 0.001 0.000 0.270 387 K C -0.089 176.648 176.600 0.229 0.000 1.015 387 K CA -0.427 55.969 56.287 0.182 0.000 0.949 387 K CB 1.920 34.511 32.500 0.151 0.000 0.976 387 K HN 0.054 nan 8.250 nan 0.000 0.472 388 I N 1.776 122.524 120.570 0.298 0.000 2.496 388 I HA 0.004 4.174 4.170 0.001 0.000 0.285 388 I C 0.545 176.816 176.117 0.257 0.000 1.080 388 I CA -0.343 61.126 61.300 0.282 0.000 1.404 388 I CB 1.098 39.290 38.000 0.320 0.000 1.403 388 I HN 0.560 nan 8.210 nan 0.000 0.539 389 A N 8.089 131.040 122.820 0.217 0.000 2.444 389 A HA 0.290 4.610 4.320 0.001 0.000 0.273 389 A C -0.362 177.311 177.584 0.147 0.000 1.136 389 A CA -0.188 51.960 52.037 0.184 0.000 0.799 389 A CB 0.041 19.191 19.000 0.250 0.000 1.081 389 A HN 0.737 nan 8.150 nan 0.000 0.509 390 L N 5.083 126.383 121.223 0.129 0.000 2.262 390 L HA 0.651 4.992 4.340 0.001 0.000 0.288 390 L C -1.020 175.925 176.870 0.125 0.000 1.035 390 L CA -0.411 54.513 54.840 0.140 0.000 0.820 390 L CB 0.235 42.394 42.059 0.167 0.000 1.204 390 L HN 0.643 nan 8.230 nan 0.000 0.424 391 I N 3.949 124.601 120.570 0.137 0.000 2.730 391 I HA 0.370 4.540 4.170 0.001 0.000 0.298 391 I C -0.489 175.622 176.117 -0.010 0.000 1.089 391 I CA -0.698 60.624 61.300 0.036 0.000 1.041 391 I CB 2.331 40.324 38.000 -0.011 0.000 1.235 391 I HN 0.542 nan 8.210 nan 0.000 0.423 392 E N 5.259 125.341 120.200 -0.197 0.000 2.301 392 E HA 0.266 4.616 4.350 0.001 0.000 0.275 392 E C -0.309 176.136 176.600 -0.258 0.000 1.030 392 E CA -0.750 55.238 56.400 -0.687 0.000 0.852 392 E CB 1.390 30.740 29.700 -0.585 0.000 1.060 392 E HN 0.475 nan 8.360 nan 0.000 0.401 393 R N 2.502 122.887 120.500 -0.193 0.000 2.643 393 R HA 0.397 4.738 4.340 0.001 0.000 0.270 393 R C -0.242 176.083 176.300 0.042 0.000 1.061 393 R CA 0.904 57.071 56.100 0.112 0.000 1.107 393 R CB 0.385 30.873 30.300 0.312 0.000 0.999 393 R HN 0.714 nan 8.270 nan 0.000 0.460 394 G N 1.901 110.735 108.800 0.058 0.000 2.334 394 G HA2 0.003 3.964 3.960 0.001 0.000 0.566 394 G HA3 0.003 3.964 3.960 0.001 0.000 0.566 394 G C -0.583 174.320 174.900 0.005 0.000 1.413 394 G CA -0.252 44.857 45.100 0.016 0.000 0.993 394 G HN 0.685 nan 8.290 nan 0.000 0.642 395 D N -2.037 118.361 120.400 -0.002 0.000 3.877 395 D HA -0.283 4.358 4.640 0.001 0.000 0.210 395 D C 1.196 177.490 176.300 -0.010 0.000 1.449 395 D CA 2.716 56.716 54.000 -0.001 0.000 2.322 395 D CB -1.070 39.737 40.800 0.010 0.000 1.269 395 D HN 1.559 nan 8.370 nan 0.000 0.404 396 I N -0.705 119.861 120.570 -0.007 0.000 3.108 396 I HA 0.517 4.688 4.170 0.001 0.000 0.312 396 I C -0.298 175.785 176.117 -0.056 0.000 1.095 396 I CA -1.031 60.260 61.300 -0.015 0.000 1.000 396 I CB 2.136 40.150 38.000 0.022 0.000 1.229 396 I HN -0.152 nan 8.210 nan 0.000 0.454 397 D N 1.790 122.144 120.400 -0.077 0.000 2.354 397 D HA 0.197 4.838 4.640 0.001 0.000 0.247 397 D C 0.706 176.994 176.300 -0.019 0.000 1.138 397 D CA -0.185 53.712 54.000 -0.172 0.000 0.958 397 D CB 0.682 41.394 40.800 -0.147 0.000 1.144 397 D HN 0.621 nan 8.370 nan 0.000 0.458 398 F N -0.363 119.618 119.950 0.051 0.000 2.095 398 F HA -0.195 4.332 4.527 0.001 0.000 0.298 398 F C 2.650 178.483 175.800 0.055 0.000 1.104 398 F CA 1.218 59.259 58.000 0.067 0.000 1.232 398 F CB -0.291 38.750 39.000 0.069 0.000 0.987 398 F HN 0.374 nan 8.300 nan 0.000 0.475 399 K N 0.809 121.340 120.400 0.218 0.000 2.077 399 K HA -0.284 4.037 4.320 0.001 0.000 0.213 399 K C 1.366 178.019 176.600 0.089 0.000 1.051 399 K CA 2.503 58.862 56.287 0.120 0.000 0.929 399 K CB -0.319 32.220 32.500 0.064 0.000 0.715 399 K HN 0.176 nan 8.250 nan 0.000 0.451 400 D N -0.064 120.382 120.400 0.077 0.000 2.117 400 D HA -0.083 4.558 4.640 0.001 0.000 0.198 400 D C 1.782 178.130 176.300 0.081 0.000 0.982 400 D CA 1.205 55.236 54.000 0.053 0.000 0.828 400 D CB 0.101 40.925 40.800 0.039 0.000 0.967 400 D HN 0.267 nan 8.370 nan 0.000 0.464 401 K N 0.199 120.693 120.400 0.158 0.000 2.032 401 K HA -0.089 4.232 4.320 0.001 0.000 0.209 401 K C 2.095 178.818 176.600 0.204 0.000 1.048 401 K CA 0.886 57.317 56.287 0.239 0.000 0.927 401 K CB -0.141 32.526 32.500 0.279 0.000 0.712 401 K HN 0.198 nan 8.250 nan 0.000 0.441 402 I N 0.733 121.396 120.570 0.155 0.000 2.394 402 I HA -0.235 3.935 4.170 0.001 0.000 0.251 402 I C 2.440 178.576 176.117 0.032 0.000 1.136 402 I CA 0.819 62.182 61.300 0.106 0.000 1.425 402 I CB -0.305 37.750 38.000 0.092 0.000 1.079 402 I HN 0.169 nan 8.210 nan 0.000 0.425 403 A N 1.055 123.875 122.820 0.001 0.000 1.872 403 A HA -0.156 4.165 4.320 0.001 0.000 0.214 403 A C 2.307 179.803 177.584 -0.146 0.000 1.187 403 A CA 1.247 53.253 52.037 -0.052 0.000 0.614 403 A CB -0.340 18.636 19.000 -0.040 0.000 0.826 403 A HN 0.267 nan 8.150 nan 0.000 0.442 404 K N -0.034 120.223 120.400 -0.238 0.000 2.147 404 K HA -0.063 4.258 4.320 0.001 0.000 0.205 404 K C 2.224 178.311 176.600 -0.854 0.000 1.049 404 K CA 1.076 57.021 56.287 -0.570 0.000 0.936 404 K CB -0.304 31.761 32.500 -0.725 0.000 0.722 404 K HN 0.438 nan 8.250 nan 0.000 0.446 405 A N 1.924 124.455 122.820 -0.481 0.000 1.898 405 A HA -0.187 4.134 4.320 0.001 0.000 0.216 405 A C 2.074 179.633 177.584 -0.041 0.000 1.181 405 A CA 1.484 53.488 52.037 -0.056 0.000 0.620 405 A CB -0.316 18.870 19.000 0.311 0.000 0.819 405 A HN 0.205 nan 8.150 nan 0.000 0.442 406 K N -0.203 120.160 120.400 -0.062 0.000 2.097 406 K HA -0.205 4.116 4.320 0.001 0.000 0.205 406 K C 2.095 178.656 176.600 -0.064 0.000 1.050 406 K CA 1.671 57.934 56.287 -0.041 0.000 0.938 406 K CB -0.103 32.373 32.500 -0.040 0.000 0.718 406 K HN 0.266 nan 8.250 nan 0.000 0.442 407 K N 1.147 121.475 120.400 -0.121 0.000 2.001 407 K HA -0.132 4.189 4.320 0.001 0.000 0.214 407 K C 1.005 177.560 176.600 -0.075 0.000 1.050 407 K CA 1.732 57.952 56.287 -0.111 0.000 0.934 407 K CB -0.707 31.692 32.500 -0.168 0.000 0.718 407 K HN 0.257 nan 8.250 nan 0.000 0.443 408 A N -0.610 122.159 122.820 -0.085 0.000 2.791 408 A HA 0.343 4.664 4.320 0.001 0.000 0.212 408 A C 1.962 179.564 177.584 0.031 0.000 1.976 408 A CA 0.617 52.653 52.037 -0.003 0.000 0.920 408 A CB -1.435 17.603 19.000 0.062 0.000 1.800 408 A HN 0.446 nan 8.150 nan 0.000 0.773 409 G N -1.426 107.419 108.800 0.075 0.000 2.545 409 G HA2 0.167 4.128 3.960 0.001 0.000 0.222 409 G HA3 0.167 4.128 3.960 0.001 0.000 0.222 409 G C 1.222 176.162 174.900 0.067 0.000 1.126 409 G CA 2.809 47.954 45.100 0.075 0.000 0.754 409 G HN 2.340 nan 8.290 nan 0.000 0.583 410 A N -2.745 120.121 122.820 0.078 0.000 5.436 410 A HA -0.074 4.246 4.320 0.001 0.000 0.274 410 A C 1.721 179.348 177.584 0.072 0.000 2.149 410 A CA 2.653 54.724 52.037 0.057 0.000 0.715 410 A CB -1.306 17.704 19.000 0.017 0.000 1.126 410 A HN 1.830 nan 8.150 nan 0.000 0.348 411 V N -3.259 116.676 119.914 0.036 0.000 0.527 411 V HA 0.047 4.168 4.120 0.001 0.000 0.092 411 V C 1.969 178.030 176.094 -0.055 0.000 2.190 411 V CA 2.748 65.074 62.300 0.042 0.000 3.550 411 V CB -1.752 30.157 31.823 0.144 0.000 0.840 411 V HN 2.977 nan 8.190 nan 0.000 0.877 412 G N -1.305 107.490 108.800 -0.007 0.000 2.451 412 G HA2 0.730 4.690 3.960 0.001 0.000 0.292 412 G HA3 0.730 4.690 3.960 0.001 0.000 0.292 412 G C -1.477 173.493 174.900 0.116 0.000 1.427 412 G CA 0.506 45.561 45.100 -0.075 0.000 0.792 412 G HN 1.743 nan 8.290 nan 0.000 0.498 413 V N -2.254 117.768 119.914 0.178 0.000 3.078 413 V HA 0.900 5.021 4.120 0.001 0.000 0.311 413 V C -0.876 175.352 176.094 0.224 0.000 1.138 413 V CA -1.155 61.265 62.300 0.200 0.000 1.007 413 V CB 1.926 33.848 31.823 0.165 0.000 1.045 413 V HN 0.823 nan 8.190 nan 0.000 0.432 414 L N 3.992 125.305 121.223 0.150 0.000 2.442 414 L HA 0.564 4.904 4.340 0.001 0.000 0.261 414 L C -0.801 176.101 176.870 0.052 0.000 1.000 414 L CA -0.218 54.668 54.840 0.078 0.000 0.882 414 L CB 1.561 43.621 42.059 0.002 0.000 1.207 414 L HN 0.601 nan 8.230 nan 0.000 0.443 415 I N 3.106 123.679 120.570 0.004 0.000 2.365 415 I HA 0.229 4.399 4.170 0.001 0.000 0.291 415 I C -0.558 175.381 176.117 -0.297 0.000 1.004 415 I CA -0.687 60.587 61.300 -0.045 0.000 1.311 415 I CB 0.919 38.916 38.000 -0.005 0.000 1.401 415 I HN 0.393 nan 8.210 nan 0.000 0.491 416 Y N 3.478 123.571 120.300 -0.345 0.000 2.364 416 Y HA 0.497 5.048 4.550 0.001 0.000 0.340 416 Y C -0.144 175.564 175.900 -0.321 0.000 0.975 416 Y CA -1.687 56.110 58.100 -0.506 0.000 1.089 416 Y CB 0.466 38.759 38.460 -0.277 0.000 1.192 416 Y HN 0.459 nan 8.280 nan 0.000 0.454 417 D N 2.353 122.548 120.400 -0.341 0.000 2.515 417 D HA -0.139 4.502 4.640 0.001 0.000 0.230 417 D C 0.521 176.857 176.300 0.061 0.000 1.181 417 D CA 0.698 54.783 54.000 0.141 0.000 0.875 417 D CB 0.652 41.654 40.800 0.336 0.000 1.213 417 D HN 0.924 nan 8.370 nan 0.000 0.478 418 N N 1.158 119.917 118.700 0.099 0.000 2.204 418 N HA -0.035 4.706 4.740 0.001 0.000 0.219 418 N C -0.499 175.066 175.510 0.092 0.000 1.151 418 N CA -0.102 52.980 53.050 0.053 0.000 0.867 418 N CB 0.408 38.911 38.487 0.026 0.000 1.043 418 N HN 0.392 nan 8.380 nan 0.000 0.516 419 Q N 0.064 119.937 119.800 0.122 0.000 2.353 419 Q HA 0.290 4.631 4.340 0.001 0.000 0.268 419 Q C -0.328 175.728 176.000 0.093 0.000 1.045 419 Q CA -0.816 55.048 55.803 0.102 0.000 0.811 419 Q CB 2.336 31.142 28.738 0.112 0.000 1.305 419 Q HN -0.064 nan 8.270 nan 0.000 0.447 420 D N 1.587 122.025 120.400 0.064 0.000 2.106 420 D HA -0.125 4.516 4.640 0.001 0.000 0.194 420 D C 0.348 176.671 176.300 0.037 0.000 0.988 420 D CA 1.415 55.444 54.000 0.049 0.000 0.845 420 D CB 0.333 41.152 40.800 0.031 0.000 0.990 420 D HN 0.308 nan 8.370 nan 0.000 0.448 421 K N 1.553 121.959 120.400 0.011 0.000 3.100 421 K HA 0.247 4.567 4.320 0.001 0.000 0.256 421 K C 0.474 177.027 176.600 -0.078 0.000 1.146 421 K CA -0.185 56.084 56.287 -0.029 0.000 1.233 421 K CB 0.074 32.547 32.500 -0.045 0.000 1.226 421 K HN 0.027 nan 8.250 nan 0.000 0.442 422 G N 0.144 108.945 108.800 0.003 0.000 2.444 422 G HA2 0.354 4.314 3.960 0.001 0.000 0.268 422 G HA3 0.354 4.314 3.960 0.001 0.000 0.268 422 G C -0.532 174.403 174.900 0.057 0.000 1.203 422 G CA -0.596 44.520 45.100 0.027 0.000 0.835 422 G HN 0.141 nan 8.290 nan 0.000 0.543 423 F N 0.984 121.005 119.950 0.118 0.000 2.450 423 F HA 0.250 4.778 4.527 0.001 0.000 0.339 423 F C -1.440 174.402 175.800 0.069 0.000 1.146 423 F CA -1.405 56.645 58.000 0.084 0.000 1.267 423 F CB 1.155 40.189 39.000 0.058 0.000 1.178 423 F HN 0.191 nan 8.300 nan 0.000 0.585 424 P HA 0.150 nan 4.420 nan 0.000 0.271 424 P C -0.728 176.484 177.300 -0.147 0.000 1.216 424 P CA 0.185 63.379 63.100 0.156 0.000 0.771 424 P CB 0.524 32.324 31.700 0.167 0.000 0.864 425 I N 2.003 122.127 120.570 -0.743 0.000 2.359 425 I HA 0.219 4.390 4.170 0.001 0.000 0.294 425 I C 0.874 176.718 176.117 -0.454 0.000 0.987 425 I CA -0.671 60.202 61.300 -0.711 0.000 1.225 425 I CB 1.295 38.645 38.000 -1.083 0.000 1.366 425 I HN 0.320 nan 8.210 nan 0.000 0.466 426 E N 6.920 126.997 120.200 -0.205 0.000 2.052 426 E HA 0.201 4.551 4.350 0.001 0.000 0.283 426 E C -0.765 175.780 176.600 -0.092 0.000 1.071 426 E CA -0.793 55.547 56.400 -0.101 0.000 0.851 426 E CB 0.695 30.366 29.700 -0.048 0.000 1.066 426 E HN 0.358 nan 8.360 nan 0.000 0.396 427 L N 6.010 127.171 121.223 -0.104 0.000 2.473 427 L HA 0.234 4.575 4.340 0.001 0.000 0.268 427 L C -1.761 175.116 176.870 0.011 0.000 1.215 427 L CA -1.654 53.129 54.840 -0.095 0.000 0.823 427 L CB -0.346 41.656 42.059 -0.095 0.000 1.099 427 L HN 0.596 nan 8.230 nan 0.000 0.483 428 P HA 0.092 nan 4.420 nan 0.000 0.281 428 P C -0.793 176.531 177.300 0.040 0.000 1.249 428 P CA -0.643 62.494 63.100 0.061 0.000 0.810 428 P CB 0.748 32.505 31.700 0.094 0.000 1.008 429 N N 1.751 120.465 118.700 0.024 0.000 2.439 429 N HA 0.166 4.906 4.740 0.001 0.000 0.243 429 N C -1.041 174.475 175.510 0.009 0.000 1.088 429 N CA -0.248 52.809 53.050 0.012 0.000 0.940 429 N CB -0.362 38.127 38.487 0.004 0.000 1.180 429 N HN 0.002 nan 8.380 nan 0.000 0.505 430 V N 3.697 123.617 119.914 0.010 0.000 2.277 430 V HA 0.229 4.350 4.120 0.001 0.000 0.269 430 V C -0.320 175.768 176.094 -0.010 0.000 1.036 430 V CA -0.687 61.617 62.300 0.007 0.000 0.821 430 V CB 0.371 32.206 31.823 0.021 0.000 1.052 430 V HN 0.715 nan 8.190 nan 0.000 0.462 431 D N 3.463 123.854 120.400 -0.015 0.000 2.716 431 D HA -0.139 4.501 4.640 0.001 0.000 0.239 431 D C 0.628 176.907 176.300 -0.034 0.000 1.125 431 D CA 0.878 54.864 54.000 -0.023 0.000 0.681 431 D CB -0.625 40.160 40.800 -0.024 0.000 1.070 431 D HN 0.798 nan 8.370 nan 0.000 0.432 435 A N 1.408 124.282 122.820 0.091 0.000 2.356 435 A HA 0.896 5.217 4.320 0.001 0.000 0.310 435 A C -0.588 177.166 177.584 0.284 0.000 1.075 435 A CA -0.144 52.013 52.037 0.200 0.000 0.746 435 A CB 1.775 20.831 19.000 0.094 0.000 1.221 435 A HN 0.862 nan 8.150 nan 0.000 0.443 436 A N 1.499 124.497 122.820 0.297 0.000 2.374 436 A HA 0.809 5.129 4.320 0.001 0.000 0.317 436 A C -1.230 176.441 177.584 0.145 0.000 1.094 436 A CA -0.432 51.733 52.037 0.213 0.000 0.765 436 A CB 0.905 20.006 19.000 0.168 0.000 1.268 436 A HN 1.240 nan 8.150 nan 0.000 0.438 437 F N 2.411 122.349 119.950 -0.020 0.000 2.443 437 F HA 0.753 5.280 4.527 0.001 0.000 0.335 437 F C -0.178 175.607 175.800 -0.025 0.000 1.104 437 F CA -0.827 57.145 58.000 -0.046 0.000 1.013 437 F CB 1.277 40.229 39.000 -0.080 0.000 1.136 437 F HN 0.632 nan 8.300 nan 0.000 0.470 438 I N 1.585 121.799 120.570 -0.594 0.000 2.969 438 I HA 0.605 4.775 4.170 0.001 0.000 0.307 438 I C -0.400 175.482 176.117 -0.392 0.000 1.149 438 I CA -0.995 60.110 61.300 -0.326 0.000 1.008 438 I CB 1.971 39.823 38.000 -0.247 0.000 1.232 438 I HN 0.594 nan 8.210 nan 0.000 0.435 439 S N 3.189 118.816 115.700 -0.122 0.000 2.580 439 S HA 0.140 4.611 4.470 0.001 0.000 0.261 439 S C 1.020 175.614 174.600 -0.011 0.000 1.366 439 S CA -0.011 58.177 58.200 -0.020 0.000 0.996 439 S CB 1.009 64.217 63.200 0.014 0.000 0.902 439 S HN 0.963 nan 8.310 nan 0.000 0.566 440 R N 1.146 121.691 120.500 0.075 0.000 2.061 440 R HA -0.102 4.238 4.340 0.001 0.000 0.230 440 R C 2.392 178.718 176.300 0.044 0.000 1.140 440 R CA 1.555 57.757 56.100 0.169 0.000 0.940 440 R CB -0.581 29.811 30.300 0.153 0.000 0.839 440 R HN 0.852 nan 8.270 nan 0.000 0.429 441 K N 0.439 120.843 120.400 0.005 0.000 2.013 441 K HA -0.256 4.064 4.320 0.001 0.000 0.225 441 K C 1.528 178.063 176.600 -0.108 0.000 1.056 441 K CA 2.508 58.771 56.287 -0.040 0.000 0.971 441 K CB -0.431 32.051 32.500 -0.029 0.000 0.731 441 K HN 0.245 nan 8.250 nan 0.000 0.450 442 D N -0.478 119.852 120.400 -0.118 0.000 2.116 442 D HA -0.162 4.478 4.640 0.001 0.000 0.193 442 D C 1.914 178.042 176.300 -0.287 0.000 0.998 442 D CA 1.574 55.470 54.000 -0.172 0.000 0.836 442 D CB -0.786 39.919 40.800 -0.158 0.000 0.951 442 D HN 0.599 nan 8.370 nan 0.000 0.449 443 G N 1.120 109.696 108.800 -0.373 0.000 2.476 443 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 443 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 443 G C 1.758 176.135 174.900 -0.872 0.000 1.164 443 G CA 0.482 45.090 45.100 -0.820 0.000 0.768 443 G HN 0.290 nan 8.290 nan 0.000 0.560 444 L N 0.015 120.887 121.223 -0.585 0.000 2.362 444 L HA 0.095 4.436 4.340 0.001 0.000 0.219 444 L C 2.630 179.339 176.870 -0.269 0.000 1.134 444 L CA 0.143 54.760 54.840 -0.371 0.000 0.807 444 L CB -0.212 41.746 42.059 -0.170 0.000 0.927 444 L HN 0.255 nan 8.230 nan 0.000 0.447 445 L N -0.759 120.316 121.223 -0.247 0.000 2.095 445 L HA -0.150 4.191 4.340 0.001 0.000 0.204 445 L C 2.308 179.086 176.870 -0.153 0.000 1.080 445 L CA 0.942 55.682 54.840 -0.166 0.000 0.759 445 L CB 0.098 42.075 42.059 -0.138 0.000 0.914 445 L HN 0.117 nan 8.230 nan 0.000 0.439 446 L N 0.309 121.399 121.223 -0.222 0.000 2.093 446 L HA -0.195 4.146 4.340 0.001 0.000 0.208 446 L C 2.431 179.278 176.870 -0.039 0.000 1.085 446 L CA 1.552 56.296 54.840 -0.160 0.000 0.755 446 L CB -0.811 40.957 42.059 -0.484 0.000 0.904 446 L HN 0.208 nan 8.230 nan 0.000 0.435 447 K N -0.402 119.869 120.400 -0.215 0.000 2.519 447 K HA -0.169 4.152 4.320 0.001 0.000 0.196 447 K C 0.339 176.839 176.600 -0.166 0.000 1.041 447 K CA 1.356 57.491 56.287 -0.253 0.000 0.954 447 K CB 0.065 32.243 32.500 -0.537 0.000 0.774 447 K HN 0.366 nan 8.250 nan 0.000 0.480 448 D N -1.257 119.083 120.400 -0.100 0.000 2.502 448 D HA -0.002 4.639 4.640 0.001 0.000 0.232 448 D C -0.362 175.922 176.300 -0.026 0.000 1.137 448 D CA -0.217 53.741 54.000 -0.070 0.000 0.827 448 D CB 0.155 40.905 40.800 -0.084 0.000 1.141 448 D HN 0.068 nan 8.370 nan 0.000 0.517 449 N N 2.333 121.040 118.700 0.011 0.000 2.411 449 N HA -0.024 4.717 4.740 0.001 0.000 0.261 449 N C -1.296 174.219 175.510 0.007 0.000 1.248 449 N CA -0.785 52.283 53.050 0.029 0.000 0.885 449 N CB 1.190 39.734 38.487 0.097 0.000 1.062 449 N HN -0.099 nan 8.380 nan 0.000 0.471 450 P HA -0.224 nan 4.420 nan 0.000 0.214 450 P C -0.567 176.701 177.300 -0.053 0.000 1.163 450 P CA 1.484 64.567 63.100 -0.028 0.000 0.889 450 P CB -0.106 31.581 31.700 -0.021 0.000 0.790 451 Q N 0.649 120.421 119.800 -0.047 0.000 2.423 451 Q HA 0.198 4.539 4.340 0.001 0.000 0.235 451 Q C -0.281 175.624 176.000 -0.158 0.000 1.100 451 Q CA -0.686 55.070 55.803 -0.078 0.000 0.908 451 Q CB 0.253 28.969 28.738 -0.036 0.000 1.312 451 Q HN -0.056 nan 8.270 nan 0.000 0.497 452 K N 2.689 122.876 120.400 -0.355 0.000 2.360 452 K HA 0.062 4.383 4.320 0.001 0.000 0.225 452 K C -0.337 175.818 176.600 -0.743 0.000 1.246 452 K CA 0.201 55.876 56.287 -1.020 0.000 1.198 452 K CB -0.409 31.500 32.500 -0.985 0.000 1.348 452 K HN 0.613 nan 8.250 nan 0.000 0.232 453 T N 0.713 115.144 114.554 -0.205 0.000 2.909 453 T HA 0.693 5.043 4.350 0.001 0.000 0.299 453 T C -1.140 173.724 174.700 0.273 0.000 1.073 453 T CA -0.840 61.309 62.100 0.082 0.000 0.999 453 T CB 0.727 69.620 68.868 0.042 0.000 1.098 453 T HN 0.296 nan 8.240 nan 0.000 0.477 454 I N 0.231 120.993 120.570 0.320 0.000 3.006 454 I HA 0.781 4.952 4.170 0.001 0.000 0.306 454 I C -0.763 175.527 176.117 0.287 0.000 1.250 454 I CA -0.700 60.748 61.300 0.248 0.000 0.996 454 I CB 1.997 40.113 38.000 0.193 0.000 1.261 454 I HN 0.499 nan 8.210 nan 0.000 0.442 455 T N 3.093 117.750 114.554 0.171 0.000 2.886 455 T HA 0.609 4.959 4.350 0.001 0.000 0.292 455 T C -1.101 173.679 174.700 0.132 0.000 1.012 455 T CA -0.047 62.200 62.100 0.246 0.000 0.982 455 T CB 0.827 69.786 68.868 0.151 0.000 1.018 455 T HN 0.323 nan 8.240 nan 0.000 0.451 456 F N 3.692 123.654 119.950 0.019 0.000 2.375 456 F HA 0.343 4.870 4.527 0.001 0.000 0.362 456 F C 0.996 176.794 175.800 -0.002 0.000 1.129 456 F CA -1.246 56.715 58.000 -0.064 0.000 1.154 456 F CB 0.446 39.357 39.000 -0.147 0.000 1.205 456 F HN 0.373 nan 8.300 nan 0.000 0.513 457 N N 2.313 121.043 118.700 0.050 0.000 2.520 457 N HA 0.205 4.946 4.740 0.001 0.000 0.273 457 N C 0.610 176.162 175.510 0.069 0.000 1.155 457 N CA -0.018 53.062 53.050 0.049 0.000 0.967 457 N CB 1.549 40.033 38.487 -0.004 0.000 1.092 457 N HN 0.649 nan 8.380 nan 0.000 0.457 458 A N 1.230 124.094 122.820 0.074 0.000 2.278 458 A HA 0.073 4.394 4.320 0.001 0.000 0.212 458 A C 0.413 178.026 177.584 0.048 0.000 1.213 458 A CA 0.206 52.286 52.037 0.073 0.000 0.840 458 A CB -0.056 18.989 19.000 0.075 0.000 0.866 458 A HN 0.512 nan 8.150 nan 0.000 0.489 459 T N 3.719 118.292 114.554 0.033 0.000 2.853 459 T HA 0.392 4.743 4.350 0.001 0.000 0.317 459 T C -2.790 171.916 174.700 0.009 0.000 1.059 459 T CA -1.124 60.989 62.100 0.021 0.000 0.954 459 T CB 1.190 70.067 68.868 0.015 0.000 0.994 459 T HN 0.218 nan 8.240 nan 0.000 0.479 460 P HA 0.175 nan 4.420 nan 0.000 0.267 460 P C -0.592 176.705 177.300 -0.005 0.000 1.205 460 P CA -0.252 62.850 63.100 0.003 0.000 0.765 460 P CB 0.856 32.562 31.700 0.010 0.000 0.828 461 K N 2.852 123.243 120.400 -0.015 0.000 2.426 461 K HA 0.300 4.620 4.320 0.001 0.000 0.254 461 K C -0.338 176.249 176.600 -0.020 0.000 0.936 461 K CA -1.005 55.272 56.287 -0.017 0.000 0.801 461 K CB 1.707 34.195 32.500 -0.020 0.000 1.139 461 K HN 0.297 nan 8.250 nan 0.000 0.424 462 V N 4.121 124.024 119.914 -0.019 0.000 2.409 462 V HA 0.244 4.365 4.120 0.001 0.000 0.270 462 V C -0.398 175.686 176.094 -0.017 0.000 1.019 462 V CA -0.011 62.276 62.300 -0.021 0.000 1.066 462 V CB -0.721 31.089 31.823 -0.021 0.000 1.021 462 V HN 0.579 nan 8.190 nan 0.000 0.476 463 L N 5.388 126.601 121.223 -0.017 0.000 2.301 463 L HA 0.667 5.008 4.340 0.001 0.000 0.264 463 L C -2.251 174.616 176.870 -0.005 0.000 1.016 463 L CA -2.378 52.453 54.840 -0.014 0.000 0.821 463 L CB 2.380 44.426 42.059 -0.022 0.000 1.346 463 L HN 0.333 nan 8.230 nan 0.000 0.429 464 P HA 0.004 nan 4.420 nan 0.000 0.270 464 P C -0.706 176.603 177.300 0.015 0.000 1.227 464 P CA 0.020 63.126 63.100 0.010 0.000 0.788 464 P CB 0.507 32.212 31.700 0.008 0.000 0.926 465 T N -0.215 114.356 114.554 0.029 0.000 2.918 465 T HA 0.524 4.875 4.350 0.001 0.000 0.286 465 T C 1.145 175.869 174.700 0.039 0.000 1.026 465 T CA -0.192 61.933 62.100 0.042 0.000 1.031 465 T CB 0.756 69.661 68.868 0.062 0.000 1.046 465 T HN 0.270 nan 8.240 nan 0.000 0.479 466 A N 2.316 125.163 122.820 0.046 0.000 1.969 466 A HA 0.020 4.341 4.320 0.001 0.000 0.218 466 A C 2.439 180.036 177.584 0.023 0.000 1.169 466 A CA 2.060 54.120 52.037 0.037 0.000 0.635 466 A CB -0.891 18.142 19.000 0.056 0.000 0.810 466 A HN 0.967 nan 8.150 nan 0.000 0.445 467 S N -1.341 114.366 115.700 0.013 0.000 2.395 467 S HA 0.377 4.848 4.470 0.001 0.000 0.225 467 S C 1.382 175.979 174.600 -0.004 0.000 1.027 467 S CA 1.048 59.216 58.200 -0.053 0.000 0.965 467 S CB -0.997 62.100 63.200 -0.171 0.000 0.812 467 S HN 2.079 nan 8.310 nan 0.000 0.482 468 G N 0.458 109.284 108.800 0.042 0.000 2.782 468 G HA2 -0.157 3.803 3.960 0.001 0.000 0.228 468 G HA3 -0.157 3.803 3.960 0.001 0.000 0.228 468 G C -0.344 174.631 174.900 0.125 0.000 1.372 468 G CA -0.510 44.636 45.100 0.077 0.000 0.862 468 G HN 0.624 nan 8.290 nan 0.000 0.547 469 T N 1.517 116.178 114.554 0.179 0.000 2.778 469 T HA 0.379 4.730 4.350 0.001 0.000 0.282 469 T C 0.505 175.380 174.700 0.292 0.000 0.983 469 T CA 1.463 63.725 62.100 0.269 0.000 1.193 469 T CB 0.119 69.162 68.868 0.293 0.000 0.938 469 T HN 0.724 nan 8.240 nan 0.000 0.523 470 K N 3.734 124.266 120.400 0.220 0.000 2.543 470 K HA 0.418 4.738 4.320 0.001 0.000 0.255 470 K C -1.673 174.940 176.600 0.022 0.000 0.934 470 K CA -0.845 55.501 56.287 0.098 0.000 0.810 470 K CB 1.249 33.725 32.500 -0.040 0.000 1.315 470 K HN 0.292 nan 8.250 nan 0.000 0.433 471 L N 2.561 123.583 121.223 -0.335 0.000 2.329 471 L HA 0.323 4.664 4.340 0.001 0.000 0.279 471 L C 0.515 177.434 176.870 0.081 0.000 1.014 471 L CA -0.480 54.244 54.840 -0.193 0.000 0.814 471 L CB 1.533 43.237 42.059 -0.592 0.000 1.257 471 L HN 0.805 nan 8.230 nan 0.000 0.424 472 S N 2.687 118.552 115.700 0.275 0.000 2.558 472 S HA -0.012 4.458 4.470 0.001 0.000 0.288 472 S C 1.447 176.133 174.600 0.143 0.000 1.318 472 S CA -0.106 58.306 58.200 0.354 0.000 1.056 472 S CB 0.426 63.824 63.200 0.330 0.000 0.853 472 S HN 0.746 nan 8.310 nan 0.000 0.505 473 R N 3.009 123.529 120.500 0.033 0.000 2.237 473 R HA -0.012 4.329 4.340 0.001 0.000 0.219 473 R C 0.779 177.102 176.300 0.038 0.000 1.080 473 R CA 1.631 57.698 56.100 -0.055 0.000 0.995 473 R CB -0.425 29.689 30.300 -0.309 0.000 0.875 473 R HN 0.681 nan 8.270 nan 0.000 0.462 474 F N 1.375 121.546 119.950 0.370 0.000 2.695 474 F HA 0.217 4.744 4.527 0.001 0.000 0.303 474 F C 0.799 176.796 175.800 0.327 0.000 1.091 474 F CA -0.570 57.669 58.000 0.398 0.000 1.300 474 F CB 0.439 39.574 39.000 0.224 0.000 1.071 474 F HN 0.017 nan 8.300 nan 0.000 0.578 475 S N -1.042 114.806 115.700 0.245 0.000 2.610 475 S HA 0.384 4.855 4.470 0.001 0.000 0.273 475 S C 1.114 175.608 174.600 -0.177 0.000 1.274 475 S CA -0.054 58.184 58.200 0.062 0.000 1.023 475 S CB 1.600 64.809 63.200 0.014 0.000 0.962 475 S HN 0.278 nan 8.310 nan 0.000 0.523 476 S N -0.996 114.660 115.700 -0.072 0.000 2.370 476 S HA -0.232 4.239 4.470 0.001 0.000 0.233 476 S C 0.155 174.716 174.600 -0.065 0.000 1.258 476 S CA 1.682 59.815 58.200 -0.110 0.000 1.695 476 S CB -2.420 60.663 63.200 -0.194 0.000 2.249 476 S HN 0.860 nan 8.310 nan 0.000 0.639 477 W N 2.707 124.045 121.300 0.064 0.000 2.580 477 W HA 0.335 4.996 4.660 0.001 0.000 0.337 477 W C 1.050 177.566 176.519 -0.005 0.000 1.088 477 W CA 1.111 58.481 57.345 0.042 0.000 1.189 477 W CB -0.349 29.203 29.460 0.154 0.000 1.131 477 W HN 0.686 nan 8.180 nan 0.000 0.563 478 G N 3.134 112.026 108.800 0.153 0.000 2.498 478 G HA2 0.526 4.487 3.960 0.001 0.000 0.301 478 G HA3 0.526 4.487 3.960 0.001 0.000 0.301 478 G C -1.986 172.902 174.900 -0.020 0.000 1.577 478 G CA -1.275 43.864 45.100 0.064 0.000 0.868 478 G HN 0.386 nan 8.290 nan 0.000 0.599 479 L N 1.184 122.398 121.223 -0.015 0.000 2.370 479 L HA 0.701 5.042 4.340 0.001 0.000 0.266 479 L C 1.018 177.871 176.870 -0.029 0.000 1.002 479 L CA -1.065 53.735 54.840 -0.067 0.000 0.818 479 L CB 2.635 44.626 42.059 -0.113 0.000 1.325 479 L HN 0.842 nan 8.230 nan 0.000 0.418 480 T N -1.583 112.927 114.554 -0.073 0.000 2.824 480 T HA 0.390 4.740 4.350 0.001 0.000 0.277 480 T C 1.198 175.872 174.700 -0.045 0.000 0.975 480 T CA 0.032 62.099 62.100 -0.056 0.000 0.966 480 T CB 1.519 70.328 68.868 -0.098 0.000 1.054 480 T HN 0.649 nan 8.240 nan 0.000 0.533 481 A N 0.954 123.761 122.820 -0.022 0.000 1.978 481 A HA -0.081 4.240 4.320 0.001 0.000 0.220 481 A C 1.820 179.390 177.584 -0.023 0.000 1.170 481 A CA 1.761 53.797 52.037 -0.002 0.000 0.636 481 A CB -0.982 18.019 19.000 0.002 0.000 0.810 481 A HN 0.971 nan 8.150 nan 0.000 0.448 482 D N -2.700 117.651 120.400 -0.081 0.000 2.328 482 D HA 0.308 4.949 4.640 0.001 0.000 0.221 482 D C 1.087 177.279 176.300 -0.180 0.000 1.072 482 D CA 0.890 54.831 54.000 -0.098 0.000 0.850 482 D CB -0.359 40.377 40.800 -0.107 0.000 0.922 482 D HN 0.750 nan 8.370 nan 0.000 0.516 483 G N -0.033 108.645 108.800 -0.203 0.000 2.195 483 G HA2 -0.266 3.694 3.960 0.001 0.000 0.224 483 G HA3 -0.266 3.694 3.960 0.001 0.000 0.224 483 G C -0.006 174.728 174.900 -0.276 0.000 0.990 483 G CA -0.260 44.709 45.100 -0.218 0.000 0.639 483 G HN 0.461 nan 8.290 nan 0.000 0.514 484 N N 0.858 119.311 118.700 -0.412 0.000 2.508 484 N HA 0.518 5.259 4.740 0.001 0.000 0.264 484 N C 1.007 176.419 175.510 -0.163 0.000 1.216 484 N CA 0.094 52.973 53.050 -0.285 0.000 0.943 484 N CB 0.771 39.085 38.487 -0.287 0.000 1.113 484 N HN 0.629 nan 8.380 nan 0.000 0.447 485 I N -0.807 119.692 120.570 -0.118 0.000 2.692 485 I HA 0.103 4.273 4.170 0.001 0.000 0.284 485 I C 1.311 177.376 176.117 -0.086 0.000 1.159 485 I CA -0.430 60.800 61.300 -0.116 0.000 1.423 485 I CB 0.886 38.815 38.000 -0.117 0.000 1.380 485 I HN 0.446 nan 8.210 nan 0.000 0.580 486 K N 5.133 125.489 120.400 -0.073 0.000 2.005 486 K HA 0.181 4.502 4.320 0.001 0.000 0.206 486 K C -1.556 175.020 176.600 -0.040 0.000 1.044 486 K CA 0.656 56.911 56.287 -0.053 0.000 0.942 486 K CB -1.258 31.217 32.500 -0.041 0.000 0.727 486 K HN 0.622 nan 8.250 nan 0.000 0.439 487 P HA 0.009 nan 4.420 nan 0.000 0.269 487 P C -0.337 176.956 177.300 -0.011 0.000 1.209 487 P CA 0.455 63.539 63.100 -0.028 0.000 0.776 487 P CB 0.615 32.286 31.700 -0.048 0.000 0.876 488 D N 1.295 121.700 120.400 0.008 0.000 2.394 488 D HA 0.221 4.861 4.640 0.001 0.000 0.226 488 D C 0.834 177.159 176.300 0.041 0.000 0.990 488 D CA 0.716 54.731 54.000 0.025 0.000 0.902 488 D CB 0.877 41.693 40.800 0.027 0.000 1.038 488 D HN 0.333 nan 8.370 nan 0.000 0.499 489 I N -0.525 120.067 120.570 0.037 0.000 3.149 489 I HA 0.474 4.644 4.170 0.001 0.000 0.310 489 I C -1.919 174.223 176.117 0.042 0.000 1.343 489 I CA -0.845 60.483 61.300 0.046 0.000 0.955 489 I CB 2.182 40.214 38.000 0.054 0.000 1.309 489 I HN -0.134 nan 8.210 nan 0.000 0.478 490 A N 3.402 126.248 122.820 0.044 0.000 2.356 490 A HA 1.002 5.322 4.320 0.001 0.000 0.323 490 A C -1.202 176.508 177.584 0.210 0.000 1.119 490 A CA -0.112 51.975 52.037 0.083 0.000 0.790 490 A CB 1.646 20.613 19.000 -0.055 0.000 1.273 490 A HN 1.080 nan 8.150 nan 0.000 0.452 491 A N 1.529 124.549 122.820 0.334 0.000 2.572 491 A HA 0.856 5.177 4.320 0.001 0.000 0.295 491 A C -3.179 174.503 177.584 0.164 0.000 1.072 491 A CA -1.677 50.545 52.037 0.309 0.000 0.691 491 A CB 1.153 20.252 19.000 0.164 0.000 1.291 491 A HN 0.509 nan 8.150 nan 0.000 0.404 492 P HA 0.423 nan 4.420 nan 0.000 0.269 492 P C 0.261 177.516 177.300 -0.074 0.000 1.209 492 P CA 0.447 63.304 63.100 -0.404 0.000 0.776 492 P CB 0.978 32.512 31.700 -0.277 0.000 0.876 493 G N 0.691 109.405 108.800 -0.144 0.000 2.692 493 G HA2 0.180 4.140 3.960 0.001 0.000 0.291 493 G HA3 0.180 4.140 3.960 0.001 0.000 0.291 493 G C 0.025 174.889 174.900 -0.061 0.000 1.423 493 G CA -0.435 44.731 45.100 0.111 0.000 0.843 493 G HN 0.367 nan 8.290 nan 0.000 0.486 494 Q N -0.363 119.460 119.800 0.038 0.000 2.119 494 Q HA -0.015 4.326 4.340 0.001 0.000 0.201 494 Q C -0.221 175.734 176.000 -0.076 0.000 0.972 494 Q CA 1.038 56.810 55.803 -0.053 0.000 0.847 494 Q CB -0.069 28.674 28.738 0.008 0.000 0.903 494 Q HN 0.606 nan 8.270 nan 0.000 0.433 495 D N 0.314 120.647 120.400 -0.111 0.000 3.142 495 D HA -0.176 4.465 4.640 0.001 0.000 0.221 495 D C -1.412 174.674 176.300 -0.357 0.000 1.193 495 D CA 0.707 54.527 54.000 -0.300 0.000 0.900 495 D CB -0.769 39.778 40.800 -0.421 0.000 0.886 495 D HN 0.090 nan 8.370 nan 0.000 0.399 496 I N 1.086 121.519 120.570 -0.228 0.000 2.530 496 I HA 0.328 4.498 4.170 0.001 0.000 0.297 496 I C 0.265 176.295 176.117 -0.145 0.000 1.011 496 I CA -0.657 60.555 61.300 -0.146 0.000 1.107 496 I CB 1.710 39.667 38.000 -0.071 0.000 1.285 496 I HN 0.138 nan 8.210 nan 0.000 0.436 497 L N 4.455 125.624 121.223 -0.091 0.000 2.281 497 L HA 0.341 4.681 4.340 0.001 0.000 0.285 497 L C 0.434 177.283 176.870 -0.035 0.000 1.074 497 L CA -0.099 54.720 54.840 -0.034 0.000 0.817 497 L CB 0.987 43.074 42.059 0.047 0.000 1.168 497 L HN 0.597 nan 8.230 nan 0.000 0.434 498 S N 1.023 116.714 115.700 -0.016 0.000 2.525 498 S HA 0.215 4.686 4.470 0.001 0.000 0.278 498 S C 0.887 175.499 174.600 0.020 0.000 1.234 498 S CA -0.519 57.675 58.200 -0.011 0.000 1.058 498 S CB 1.178 64.364 63.200 -0.023 0.000 0.983 498 S HN 0.691 nan 8.310 nan 0.000 0.495 499 S N 2.739 118.473 115.700 0.056 0.000 2.557 499 S HA 0.116 4.586 4.470 0.001 0.000 0.223 499 S C 0.753 175.379 174.600 0.043 0.000 0.969 499 S CA 0.200 58.463 58.200 0.104 0.000 0.927 499 S CB -0.114 63.280 63.200 0.323 0.000 0.806 499 S HN 1.052 nan 8.310 nan 0.000 0.489 500 V N -3.094 116.823 119.914 0.005 0.000 3.252 500 V HA 0.699 4.820 4.120 0.001 0.000 0.320 500 V C 1.683 177.745 176.094 -0.052 0.000 1.459 500 V CA 0.049 62.339 62.300 -0.018 0.000 1.095 500 V CB -0.493 31.330 31.823 -0.001 0.000 0.997 500 V HN 0.332 nan 8.190 nan 0.000 0.469 501 A N 2.154 124.928 122.820 -0.077 0.000 1.969 501 A HA 0.225 4.546 4.320 0.001 0.000 0.218 501 A C 0.980 178.478 177.584 -0.144 0.000 1.169 501 A CA 1.888 53.865 52.037 -0.101 0.000 0.635 501 A CB -0.481 18.454 19.000 -0.108 0.000 0.810 501 A HN 1.036 nan 8.150 nan 0.000 0.445 502 N N -2.789 115.798 118.700 -0.189 0.000 3.261 502 N HA 0.095 4.836 4.740 0.001 0.000 0.248 502 N C -0.895 174.499 175.510 -0.194 0.000 1.498 502 N CA -0.207 52.718 53.050 -0.208 0.000 0.884 502 N CB -0.175 38.125 38.487 -0.312 0.000 1.428 502 N HN 0.160 nan 8.380 nan 0.000 0.517 503 N N -1.235 117.370 118.700 -0.158 0.000 2.380 503 N HA 0.279 5.020 4.740 0.001 0.000 0.255 503 N C -0.436 175.008 175.510 -0.110 0.000 1.158 503 N CA -0.499 52.482 53.050 -0.116 0.000 0.878 503 N CB 0.362 38.804 38.487 -0.075 0.000 1.138 503 N HN 0.307 nan 8.380 nan 0.000 0.509 504 K N -0.127 120.170 120.400 -0.171 0.000 2.403 504 K HA 0.170 4.491 4.320 0.001 0.000 0.199 504 K C -0.723 175.902 176.600 0.041 0.000 1.199 504 K CA 0.610 56.862 56.287 -0.058 0.000 0.924 504 K CB 0.293 32.798 32.500 0.010 0.000 1.137 504 K HN 0.400 nan 8.250 nan 0.000 0.510 505 Y N -2.567 117.704 120.300 -0.048 0.000 2.641 505 Y HA 0.696 5.246 4.550 0.001 0.000 0.333 505 Y C -1.386 174.493 175.900 -0.035 0.000 1.174 505 Y CA -2.542 55.527 58.100 -0.052 0.000 1.057 505 Y CB 0.641 39.054 38.460 -0.077 0.000 1.322 505 Y HN -0.128 nan 8.280 nan 0.000 0.457 506 A N 2.924 125.844 122.820 0.166 0.000 2.491 506 A HA 0.378 4.699 4.320 0.001 0.000 0.261 506 A C -0.086 177.620 177.584 0.204 0.000 1.101 506 A CA -0.396 51.712 52.037 0.117 0.000 0.772 506 A CB -0.021 19.053 19.000 0.125 0.000 1.043 506 A HN 0.677 nan 8.150 nan 0.000 0.501 507 K N 2.955 123.414 120.400 0.098 0.000 2.183 507 K HA 0.438 4.759 4.320 0.001 0.000 0.274 507 K C -0.550 176.087 176.600 0.062 0.000 1.009 507 K CA -0.745 55.620 56.287 0.132 0.000 0.888 507 K CB 0.740 33.268 32.500 0.046 0.000 1.078 507 K HN 0.602 nan 8.250 nan 0.000 0.459 508 L N 3.111 124.370 121.223 0.061 0.000 2.455 508 L HA 0.137 4.477 4.340 0.001 0.000 0.272 508 L C -0.339 176.503 176.870 -0.047 0.000 1.174 508 L CA 1.060 55.880 54.840 -0.033 0.000 0.869 508 L CB 1.022 43.053 42.059 -0.046 0.000 1.130 508 L HN 0.665 nan 8.230 nan 0.000 0.474 509 S N 2.588 118.235 115.700 -0.088 0.000 2.671 509 S HA 0.745 5.216 4.470 0.001 0.000 0.299 509 S C 0.354 174.906 174.600 -0.080 0.000 1.116 509 S CA -0.117 58.041 58.200 -0.069 0.000 0.912 509 S CB 1.392 64.558 63.200 -0.057 0.000 1.130 509 S HN 1.489 nan 8.310 nan 0.000 0.501 510 G N 0.939 109.706 108.800 -0.055 0.000 2.198 510 G HA2 -0.233 3.727 3.960 0.001 0.000 0.257 510 G HA3 -0.233 3.727 3.960 0.001 0.000 0.257 510 G C 0.510 175.424 174.900 0.024 0.000 1.042 510 G CA 1.167 46.259 45.100 -0.015 0.000 0.791 510 G HN 1.375 nan 8.290 nan 0.000 0.502 511 T N -4.561 109.979 114.554 -0.024 0.000 2.985 511 T HA 0.676 5.026 4.350 0.001 0.000 0.254 511 T C 1.702 176.370 174.700 -0.052 0.000 1.021 511 T CA 1.426 63.516 62.100 -0.016 0.000 0.957 511 T CB 0.137 68.988 68.868 -0.027 0.000 1.047 511 T HN 1.620 nan 8.240 nan 0.000 0.511 515 A N 2.565 125.379 122.820 -0.009 0.000 1.877 515 A HA 0.108 4.429 4.320 0.001 0.000 0.216 515 A C -0.647 176.932 177.584 -0.008 0.000 1.186 515 A CA 1.987 54.027 52.037 0.005 0.000 0.620 515 A CB -1.858 17.148 19.000 0.009 0.000 0.822 515 A HN 0.444 nan 8.150 nan 0.000 0.443 516 P HA -0.146 nan 4.420 nan 0.000 0.218 516 P C 1.609 178.893 177.300 -0.026 0.000 1.148 516 P CA 0.865 63.939 63.100 -0.043 0.000 0.822 516 P CB -0.050 31.603 31.700 -0.079 0.000 0.784 517 L N -0.384 120.831 121.223 -0.013 0.000 1.994 517 L HA -0.146 4.195 4.340 0.001 0.000 0.208 517 L C 2.134 179.021 176.870 0.030 0.000 1.071 517 L CA 2.000 56.860 54.840 0.032 0.000 0.745 517 L CB -1.270 40.846 42.059 0.096 0.000 0.892 517 L HN -0.180 nan 8.230 nan 0.000 0.431 518 V N 0.304 120.238 119.914 0.035 0.000 2.392 518 V HA -0.301 3.820 4.120 0.001 0.000 0.249 518 V C 2.826 178.927 176.094 0.011 0.000 1.059 518 V CA 1.579 63.898 62.300 0.031 0.000 1.051 518 V CB -1.544 30.303 31.823 0.039 0.000 0.658 518 V HN 0.638 nan 8.190 nan 0.000 0.455 519 A N 0.711 123.533 122.820 0.003 0.000 1.883 519 A HA -0.130 4.190 4.320 0.001 0.000 0.217 519 A C 2.463 180.037 177.584 -0.017 0.000 1.186 519 A CA 2.112 54.143 52.037 -0.009 0.000 0.624 519 A CB -1.351 17.642 19.000 -0.013 0.000 0.822 519 A HN 0.521 nan 8.150 nan 0.000 0.444 520 G N -0.172 108.619 108.800 -0.015 0.000 2.446 520 G HA2 -0.052 3.908 3.960 0.001 0.000 0.217 520 G HA3 -0.052 3.908 3.960 0.001 0.000 0.217 520 G C 0.974 175.859 174.900 -0.024 0.000 1.168 520 G CA 0.850 45.938 45.100 -0.020 0.000 0.771 520 G HN 0.491 nan 8.290 nan 0.000 0.551 524 L N 0.615 121.791 121.223 -0.078 0.000 2.093 524 L HA 0.099 4.439 4.340 0.001 0.000 0.208 524 L C 2.632 179.411 176.870 -0.150 0.000 1.085 524 L CA 1.106 55.893 54.840 -0.089 0.000 0.755 524 L CB -0.245 41.774 42.059 -0.067 0.000 0.904 524 L HN 0.300 nan 8.230 nan 0.000 0.435 525 L N -0.085 121.018 121.223 -0.201 0.000 2.056 525 L HA -0.228 4.112 4.340 0.001 0.000 0.207 525 L C 2.538 179.068 176.870 -0.566 0.000 1.078 525 L CA 1.708 56.311 54.840 -0.395 0.000 0.749 525 L CB -0.611 41.237 42.059 -0.352 0.000 0.901 525 L HN 0.256 nan 8.230 nan 0.000 0.433 526 Q N -0.641 118.981 119.800 -0.296 0.000 2.170 526 Q HA -0.275 4.066 4.340 0.001 0.000 0.203 526 Q C 2.290 178.241 176.000 -0.082 0.000 0.976 526 Q CA 1.832 57.547 55.803 -0.146 0.000 0.858 526 Q CB -0.058 28.649 28.738 -0.052 0.000 0.907 526 Q HN 0.532 nan 8.270 nan 0.000 0.433 527 K N 0.121 120.460 120.400 -0.102 0.000 2.025 527 K HA -0.223 4.098 4.320 0.001 0.000 0.207 527 K C 2.188 178.764 176.600 -0.039 0.000 1.049 527 K CA 1.540 57.795 56.287 -0.053 0.000 0.933 527 K CB -0.074 32.391 32.500 -0.058 0.000 0.714 527 K HN 0.255 nan 8.250 nan 0.000 0.438 528 Q N -0.268 119.465 119.800 -0.112 0.000 2.152 528 Q HA -0.216 4.125 4.340 0.001 0.000 0.206 528 Q C 1.563 177.624 176.000 0.102 0.000 0.985 528 Q CA 1.730 57.495 55.803 -0.064 0.000 0.863 528 Q CB -0.166 28.477 28.738 -0.160 0.000 0.904 528 Q HN 0.561 nan 8.270 nan 0.000 0.422 529 Y N 0.180 120.524 120.300 0.073 0.000 2.509 529 Y HA -0.107 4.444 4.550 0.001 0.000 0.293 529 Y C 1.964 177.930 175.900 0.110 0.000 1.133 529 Y CA 0.350 58.545 58.100 0.158 0.000 1.283 529 Y CB 0.231 38.795 38.460 0.173 0.000 1.001 529 Y HN 0.286 nan 8.280 nan 0.000 0.555 530 E N -0.319 119.998 120.200 0.194 0.000 2.204 530 E HA -0.129 4.221 4.350 0.001 0.000 0.194 530 E C 1.645 178.292 176.600 0.079 0.000 0.989 530 E CA 1.525 57.993 56.400 0.113 0.000 0.824 530 E CB -0.058 29.677 29.700 0.058 0.000 0.756 530 E HN 0.386 nan 8.360 nan 0.000 0.477 531 T N 0.094 114.687 114.554 0.065 0.000 3.042 531 T HA -0.059 4.291 4.350 0.001 0.000 0.245 531 T C 1.804 176.488 174.700 -0.026 0.000 1.029 531 T CA 0.313 62.424 62.100 0.017 0.000 1.120 531 T CB 0.158 69.029 68.868 0.005 0.000 0.917 531 T HN 0.077 nan 8.240 nan 0.000 0.467 532 Q N 0.099 119.881 119.800 -0.029 0.000 2.172 532 Q HA 0.000 4.341 4.340 0.001 0.000 0.200 532 Q C -0.357 175.307 176.000 -0.561 0.000 0.964 532 Q CA 1.114 56.757 55.803 -0.267 0.000 0.855 532 Q CB 0.181 28.800 28.738 -0.199 0.000 0.918 532 Q HN 0.582 nan 8.270 nan 0.000 0.444 533 Y N -0.087 120.232 120.300 0.032 0.000 2.511 533 Y HA 0.283 4.834 4.550 0.001 0.000 0.356 533 Y C -1.847 174.055 175.900 0.002 0.000 1.002 533 Y CA -1.895 56.196 58.100 -0.015 0.000 1.127 533 Y CB 1.267 39.673 38.460 -0.089 0.000 1.137 533 Y HN 0.184 nan 8.280 nan 0.000 0.652 534 P HA -0.200 nan 4.420 nan 0.000 0.218 534 P C 0.349 177.684 177.300 0.057 0.000 1.146 534 P CA 1.312 64.447 63.100 0.058 0.000 0.813 534 P CB 0.650 32.364 31.700 0.025 0.000 0.778 538 P HA -0.037 nan 4.420 nan 0.000 0.215 538 P C 1.565 178.853 177.300 -0.020 0.000 1.153 538 P CA 1.376 64.468 63.100 -0.013 0.000 0.853 538 P CB 0.074 31.755 31.700 -0.031 0.000 0.788 539 S N -0.330 115.352 115.700 -0.031 0.000 2.353 539 S HA -0.223 4.248 4.470 0.001 0.000 0.222 539 S C 1.818 176.397 174.600 -0.034 0.000 1.035 539 S CA 1.473 59.653 58.200 -0.034 0.000 1.025 539 S CB -0.929 62.251 63.200 -0.033 0.000 0.902 539 S HN 0.351 nan 8.310 nan 0.000 0.440 540 E N 0.600 120.777 120.200 -0.038 0.000 2.118 540 E HA -0.125 4.225 4.350 0.001 0.000 0.195 540 E C 2.395 178.954 176.600 -0.068 0.000 0.992 540 E CA 0.802 57.165 56.400 -0.062 0.000 0.804 540 E CB -0.089 29.572 29.700 -0.065 0.000 0.741 540 E HN 0.372 nan 8.360 nan 0.000 0.458 541 R N 0.196 120.685 120.500 -0.017 0.000 2.092 541 R HA -0.102 4.239 4.340 0.001 0.000 0.231 541 R C 2.443 178.788 176.300 0.074 0.000 1.119 541 R CA 0.669 56.805 56.100 0.059 0.000 0.970 541 R CB -0.324 30.047 30.300 0.119 0.000 0.864 541 R HN 0.137 nan 8.270 nan 0.000 0.440 542 L N 1.608 122.841 121.223 0.016 0.000 2.056 542 L HA -0.144 4.197 4.340 0.001 0.000 0.207 542 L C 1.468 178.327 176.870 -0.017 0.000 1.078 542 L CA 1.915 56.756 54.840 0.000 0.000 0.749 542 L CB -0.459 41.588 42.059 -0.020 0.000 0.901 542 L HN 0.041 nan 8.230 nan 0.000 0.433 543 D N -0.513 119.861 120.400 -0.044 0.000 2.097 543 D HA -0.195 4.446 4.640 0.001 0.000 0.195 543 D C 2.192 178.414 176.300 -0.130 0.000 0.989 543 D CA 1.593 55.547 54.000 -0.075 0.000 0.827 543 D CB -0.234 40.514 40.800 -0.086 0.000 0.966 543 D HN 0.315 nan 8.370 nan 0.000 0.456 544 L N 1.224 122.345 121.223 -0.169 0.000 2.012 544 L HA -0.114 4.226 4.340 0.001 0.000 0.210 544 L C 2.204 179.010 176.870 -0.107 0.000 1.073 544 L CA 1.862 56.521 54.840 -0.302 0.000 0.748 544 L CB -0.844 40.950 42.059 -0.443 0.000 0.891 544 L HN -0.036 nan 8.230 nan 0.000 0.431 545 A N -0.621 122.280 122.820 0.135 0.000 1.902 545 A HA -0.282 4.038 4.320 0.001 0.000 0.217 545 A C 2.467 180.061 177.584 0.017 0.000 1.181 545 A CA 2.050 54.184 52.037 0.162 0.000 0.623 545 A CB -0.650 18.382 19.000 0.054 0.000 0.818 545 A HN 0.535 nan 8.150 nan 0.000 0.443 546 K N -0.052 120.337 120.400 -0.019 0.000 2.057 546 K HA -0.162 4.159 4.320 0.001 0.000 0.207 546 K C 1.960 178.539 176.600 -0.036 0.000 1.049 546 K CA 1.688 57.962 56.287 -0.022 0.000 0.931 546 K CB -0.182 32.306 32.500 -0.020 0.000 0.714 546 K HN 0.455 nan 8.250 nan 0.000 0.440 547 K N 0.169 120.505 120.400 -0.107 0.000 2.097 547 K HA -0.079 4.242 4.320 0.001 0.000 0.205 547 K C 2.004 178.551 176.600 -0.089 0.000 1.050 547 K CA 1.311 57.522 56.287 -0.127 0.000 0.938 547 K CB 0.034 32.335 32.500 -0.332 0.000 0.718 547 K HN -0.014 nan 8.250 nan 0.000 0.442 548 V N 1.472 121.302 119.914 -0.140 0.000 2.453 548 V HA -0.139 3.982 4.120 0.001 0.000 0.247 548 V C 1.397 177.524 176.094 0.056 0.000 1.048 548 V CA 0.731 63.026 62.300 -0.008 0.000 1.049 548 V CB -0.324 31.529 31.823 0.048 0.000 0.672 548 V HN 0.181 nan 8.190 nan 0.000 0.457 552 S N 2.318 118.093 115.700 0.125 0.000 2.453 552 S HA 0.471 4.941 4.470 0.001 0.000 0.231 552 S C 0.952 175.608 174.600 0.094 0.000 1.005 552 S CA 0.678 58.945 58.200 0.111 0.000 0.949 552 S CB -0.690 62.571 63.200 0.102 0.000 0.774 552 S HN 1.157 nan 8.310 nan 0.000 0.510 553 A N 2.276 125.149 122.820 0.087 0.000 2.540 553 A HA 0.435 4.755 4.320 0.001 0.000 0.239 553 A C 0.580 178.192 177.584 0.047 0.000 1.061 553 A CA 0.455 52.532 52.037 0.066 0.000 0.758 553 A CB -0.211 18.828 19.000 0.064 0.000 0.991 553 A HN 0.515 nan 8.150 nan 0.000 0.502 554 T N 1.269 115.837 114.554 0.022 0.000 2.799 554 T HA 0.561 4.912 4.350 0.001 0.000 0.286 554 T C 0.238 174.884 174.700 -0.089 0.000 0.973 554 T CA -0.063 62.033 62.100 -0.007 0.000 1.035 554 T CB 0.647 69.534 68.868 0.032 0.000 0.932 554 T HN 1.589 nan 8.240 nan 0.000 0.469 555 A N 5.784 128.475 122.820 -0.215 0.000 2.545 555 A HA 0.400 4.720 4.320 0.001 0.000 0.253 555 A C 0.583 178.135 177.584 -0.054 0.000 1.074 555 A CA -0.196 51.578 52.037 -0.439 0.000 0.760 555 A CB -0.492 17.856 19.000 -1.088 0.000 1.005 555 A HN 0.933 nan 8.150 nan 0.000 0.506 556 L N 2.303 123.522 121.223 -0.006 0.000 2.397 556 L HA 0.232 4.573 4.340 0.001 0.000 0.271 556 L C -0.055 177.028 176.870 0.354 0.000 1.148 556 L CA -0.108 54.816 54.840 0.141 0.000 0.825 556 L CB 0.532 42.591 42.059 0.001 0.000 1.117 556 L HN 0.766 nan 8.230 nan 0.000 0.456 557 Y N 1.684 122.037 120.300 0.088 0.000 2.341 557 Y HA 0.172 4.722 4.550 0.001 0.000 0.337 557 Y C -0.052 175.718 175.900 -0.217 0.000 1.014 557 Y CA -0.657 57.330 58.100 -0.188 0.000 1.111 557 Y CB 1.438 39.706 38.460 -0.319 0.000 1.194 557 Y HN 0.476 nan 8.280 nan 0.000 0.462 558 D N 5.463 125.187 120.400 -1.127 0.000 2.500 558 D HA 0.061 4.702 4.640 0.001 0.000 0.219 558 D C 0.670 176.470 176.300 -0.834 0.000 1.137 558 D CA 0.133 53.449 54.000 -1.140 0.000 0.946 558 D CB 0.569 40.430 40.800 -1.566 0.000 1.022 558 D HN 0.681 nan 8.370 nan 0.000 0.518 559 E N 1.790 121.747 120.200 -0.405 0.000 2.097 559 E HA -0.242 4.109 4.350 0.001 0.000 0.196 559 E C 1.154 177.645 176.600 -0.181 0.000 1.000 559 E CA 1.047 57.343 56.400 -0.172 0.000 0.804 559 E CB 0.044 29.757 29.700 0.022 0.000 0.740 559 E HN 0.567 nan 8.360 nan 0.000 0.454 560 D N 0.313 120.612 120.400 -0.168 0.000 2.158 560 D HA -0.164 4.477 4.640 0.001 0.000 0.197 560 D C 1.334 177.548 176.300 -0.144 0.000 0.995 560 D CA 1.134 55.062 54.000 -0.119 0.000 0.846 560 D CB 0.209 40.956 40.800 -0.089 0.000 0.941 560 D HN 0.067 nan 8.370 nan 0.000 0.456 561 E N -0.414 119.639 120.200 -0.244 0.000 2.526 561 E HA 0.052 4.402 4.350 0.001 0.000 0.208 561 E C 0.045 176.499 176.600 -0.243 0.000 0.997 561 E CA -0.035 56.239 56.400 -0.210 0.000 0.961 561 E CB 0.623 30.194 29.700 -0.217 0.000 1.030 561 E HN 0.169 nan 8.360 nan 0.000 0.483 562 K N 0.177 120.372 120.400 -0.342 0.000 3.257 562 K HA -0.181 4.139 4.320 0.001 0.000 0.270 562 K C -0.379 175.999 176.600 -0.370 0.000 0.984 562 K CA 0.852 56.974 56.287 -0.274 0.000 0.739 562 K CB -1.812 30.670 32.500 -0.029 0.000 1.351 562 K HN 0.253 nan 8.250 nan 0.000 0.463 563 A N 0.142 122.473 122.820 -0.816 0.000 2.612 563 A HA 0.672 4.992 4.320 0.001 0.000 0.293 563 A C -1.180 175.959 177.584 -0.742 0.000 1.075 563 A CA -0.905 50.830 52.037 -0.502 0.000 0.680 563 A CB 0.797 19.659 19.000 -0.231 0.000 1.279 563 A HN 0.153 nan 8.150 nan 0.000 0.411 564 Y N 0.050 120.246 120.300 -0.174 0.000 2.336 564 Y HA 0.451 5.002 4.550 0.001 0.000 0.331 564 Y C 0.320 176.169 175.900 -0.084 0.000 1.211 564 Y CA 0.491 58.557 58.100 -0.056 0.000 1.346 564 Y CB 0.467 39.048 38.460 0.202 0.000 1.271 564 Y HN 0.530 nan 8.280 nan 0.000 0.538 565 F N 0.835 120.873 119.950 0.147 0.000 2.563 565 F HA 0.019 4.547 4.527 0.001 0.000 0.363 565 F C 1.084 176.985 175.800 0.168 0.000 1.123 565 F CA 0.113 58.164 58.000 0.084 0.000 1.307 565 F CB 0.483 39.483 39.000 0.001 0.000 1.115 565 F HN 0.391 nan 8.300 nan 0.000 0.592 566 S N 4.584 120.444 115.700 0.265 0.000 2.558 566 S HA 0.020 4.490 4.470 0.001 0.000 0.293 566 S C -1.162 173.472 174.600 0.056 0.000 1.292 566 S CA -1.206 57.076 58.200 0.137 0.000 1.063 566 S CB 0.610 63.909 63.200 0.164 0.000 0.831 566 S HN 0.409 nan 8.310 nan 0.000 0.499 567 P HA -0.058 nan 4.420 nan 0.000 0.223 567 P C 0.908 178.132 177.300 -0.128 0.000 1.151 567 P CA 0.831 63.854 63.100 -0.127 0.000 0.787 567 P CB 0.050 31.458 31.700 -0.487 0.000 0.788 568 R N -0.457 119.951 120.500 -0.153 0.000 2.285 568 R HA -0.041 4.300 4.340 0.001 0.000 0.213 568 R C 2.237 178.396 176.300 -0.235 0.000 1.068 568 R CA 1.018 57.032 56.100 -0.143 0.000 1.004 568 R CB -0.065 30.203 30.300 -0.055 0.000 0.873 568 R HN 0.390 nan 8.270 nan 0.000 0.467 569 Q N -0.902 118.699 119.800 -0.332 0.000 2.548 569 Q HA -0.050 4.290 4.340 0.001 0.000 0.230 569 Q C 1.519 177.388 176.000 -0.218 0.000 0.899 569 Q CA 0.391 55.925 55.803 -0.448 0.000 0.936 569 Q CB 0.507 28.846 28.738 -0.664 0.000 1.114 569 Q HN 0.374 nan 8.270 nan 0.000 0.606 570 Q N 0.001 119.742 119.800 -0.098 0.000 2.319 570 Q HA 0.276 4.617 4.340 0.001 0.000 0.202 570 Q C 0.873 176.895 176.000 0.036 0.000 0.896 570 Q CA 0.488 56.271 55.803 -0.033 0.000 0.942 570 Q CB 0.577 29.319 28.738 0.006 0.000 1.083 570 Q HN 0.230 nan 8.270 nan 0.000 0.510 571 G N 1.757 110.577 108.800 0.034 0.000 2.582 571 G HA2 -0.444 3.517 3.960 0.001 0.000 0.288 571 G HA3 -0.444 3.517 3.960 0.001 0.000 0.288 571 G C 0.746 175.750 174.900 0.172 0.000 1.247 571 G CA 0.535 45.669 45.100 0.056 0.000 0.972 571 G HN 0.819 nan 8.290 nan 0.000 0.557 572 A N 0.261 123.174 122.820 0.156 0.000 2.239 572 A HA 0.576 4.896 4.320 0.001 0.000 0.209 572 A C 2.017 179.716 177.584 0.192 0.000 1.171 572 A CA 2.048 54.221 52.037 0.225 0.000 0.768 572 A CB -0.940 18.153 19.000 0.156 0.000 0.790 572 A HN 2.865 nan 8.150 nan 0.000 0.478 573 G N -2.539 106.331 108.800 0.117 0.000 2.353 573 G HA2 0.470 4.430 3.960 0.001 0.000 0.615 573 G HA3 0.470 4.430 3.960 0.001 0.000 0.615 573 G C -0.269 174.610 174.900 -0.036 0.000 1.280 573 G CA -0.396 44.699 45.100 -0.007 0.000 1.000 573 G HN 1.429 nan 8.290 nan 0.000 0.516 574 A N -0.587 122.176 122.820 -0.096 0.000 2.362 574 A HA 0.707 5.027 4.320 0.001 0.000 0.276 574 A C 0.938 178.551 177.584 0.049 0.000 1.153 574 A CA 0.490 52.487 52.037 -0.066 0.000 0.813 574 A CB 1.024 19.911 19.000 -0.188 0.000 1.081 574 A HN 2.302 nan 8.150 nan 0.000 0.507 575 V N 2.993 122.965 119.914 0.097 0.000 2.694 575 V HA 0.114 4.235 4.120 0.001 0.000 0.306 575 V C -0.184 175.965 176.094 0.092 0.000 1.054 575 V CA 0.692 63.046 62.300 0.090 0.000 1.161 575 V CB 0.842 32.720 31.823 0.091 0.000 0.916 575 V HN 0.900 nan 8.190 nan 0.000 0.490 576 D N 4.886 125.330 120.400 0.074 0.000 2.358 576 D HA 0.462 5.103 4.640 0.001 0.000 0.253 576 D C 0.524 176.858 176.300 0.056 0.000 1.288 576 D CA 0.193 54.235 54.000 0.069 0.000 0.950 576 D CB 1.731 42.572 40.800 0.068 0.000 1.197 576 D HN 0.650 nan 8.370 nan 0.000 0.550 577 A N 4.219 127.068 122.820 0.047 0.000 1.933 577 A HA -0.175 4.146 4.320 0.001 0.000 0.218 577 A C 1.998 179.600 177.584 0.031 0.000 1.175 577 A CA 1.437 53.492 52.037 0.031 0.000 0.628 577 A CB -0.160 18.853 19.000 0.022 0.000 0.814 577 A HN 0.555 nan 8.150 nan 0.000 0.444 578 K N -0.087 120.335 120.400 0.037 0.000 2.026 578 K HA -0.156 4.165 4.320 0.001 0.000 0.208 578 K C 2.025 178.653 176.600 0.047 0.000 1.048 578 K CA 1.703 58.013 56.287 0.037 0.000 0.929 578 K CB -0.170 32.352 32.500 0.037 0.000 0.713 578 K HN 0.419 nan 8.250 nan 0.000 0.439 579 K N -0.070 120.363 120.400 0.056 0.000 2.057 579 K HA -0.079 4.241 4.320 0.001 0.000 0.206 579 K C 2.189 178.836 176.600 0.078 0.000 1.050 579 K CA 1.055 57.382 56.287 0.068 0.000 0.935 579 K CB -0.119 32.425 32.500 0.073 0.000 0.715 579 K HN 0.214 nan 8.250 nan 0.000 0.439 580 A N 0.953 123.815 122.820 0.070 0.000 1.883 580 A HA -0.202 4.119 4.320 0.001 0.000 0.217 580 A C 2.253 179.888 177.584 0.086 0.000 1.186 580 A CA 2.121 54.203 52.037 0.076 0.000 0.624 580 A CB -0.728 18.298 19.000 0.044 0.000 0.822 580 A HN 0.257 nan 8.150 nan 0.000 0.444 581 S N -0.823 114.909 115.700 0.053 0.000 2.383 581 S HA 0.020 4.491 4.470 0.001 0.000 0.227 581 S C 2.022 176.677 174.600 0.092 0.000 1.026 581 S CA 1.403 59.633 58.200 0.051 0.000 0.981 581 S CB -0.349 62.862 63.200 0.018 0.000 0.818 581 S HN 0.789 nan 8.310 nan 0.000 0.472 582 A N 0.788 123.658 122.820 0.083 0.000 2.123 582 A HA 0.623 4.944 4.320 0.001 0.000 0.214 582 A C 1.097 178.746 177.584 0.110 0.000 1.152 582 A CA 0.620 52.709 52.037 0.086 0.000 0.728 582 A CB -0.798 18.242 19.000 0.065 0.000 0.814 582 A HN 0.656 nan 8.150 nan 0.000 0.464 583 A N 0.290 123.187 122.820 0.129 0.000 2.580 583 A HA 0.404 4.724 4.320 0.001 0.000 0.244 583 A C 0.594 178.280 177.584 0.171 0.000 1.045 583 A CA 1.195 53.320 52.037 0.147 0.000 0.761 583 A CB -0.337 18.761 19.000 0.164 0.000 0.962 583 A HN 0.498 nan 8.150 nan 0.000 0.512 587 V N 2.797 122.760 119.914 0.082 0.000 2.513 587 V HA 0.915 5.035 4.120 0.001 0.000 0.299 587 V C -0.459 175.757 176.094 0.203 0.000 1.035 587 V CA 0.527 62.831 62.300 0.007 0.000 0.889 587 V CB 1.583 33.334 31.823 -0.120 0.000 0.988 587 V HN 1.404 nan 8.190 nan 0.000 0.440 588 T N 2.361 117.040 114.554 0.208 0.000 2.831 588 T HA 0.529 4.879 4.350 0.001 0.000 0.287 588 T C -0.385 174.409 174.700 0.155 0.000 1.070 588 T CA -0.533 61.702 62.100 0.226 0.000 1.010 588 T CB 1.627 70.676 68.868 0.302 0.000 1.264 588 T HN 0.844 nan 8.240 nan 0.000 0.532 589 D N 0.060 120.542 120.400 0.137 0.000 2.414 589 D HA 0.181 4.822 4.640 0.001 0.000 0.259 589 D C 0.969 177.315 176.300 0.077 0.000 1.269 589 D CA -0.633 53.426 54.000 0.097 0.000 1.028 589 D CB 0.753 41.608 40.800 0.092 0.000 1.093 589 D HN 0.498 nan 8.370 nan 0.000 0.545 590 K N -0.277 120.147 120.400 0.040 0.000 2.074 590 K HA -0.199 4.121 4.320 0.001 0.000 0.209 590 K C 1.507 178.131 176.600 0.041 0.000 1.048 590 K CA 2.089 58.389 56.287 0.021 0.000 0.926 590 K CB -0.509 31.991 32.500 0.000 0.000 0.713 590 K HN 0.618 nan 8.250 nan 0.000 0.444 591 D N 0.055 120.484 120.400 0.049 0.000 2.378 591 D HA -0.147 4.493 4.640 0.001 0.000 0.222 591 D C 0.157 176.501 176.300 0.074 0.000 0.980 591 D CA 0.459 54.491 54.000 0.053 0.000 0.907 591 D CB -0.272 40.557 40.800 0.049 0.000 0.899 591 D HN 0.099 nan 8.370 nan 0.000 0.527 592 N N -1.551 117.218 118.700 0.114 0.000 2.828 592 N HA -0.180 4.560 4.740 0.001 0.000 0.248 592 N C 0.421 175.976 175.510 0.075 0.000 1.044 592 N CA 1.532 54.673 53.050 0.152 0.000 0.851 592 N CB -1.780 36.803 38.487 0.160 0.000 1.136 592 N HN 0.399 nan 8.380 nan 0.000 0.572 593 T N -1.120 113.474 114.554 0.068 0.000 3.056 593 T HA 0.091 4.441 4.350 0.001 0.000 0.241 593 T C 1.001 175.730 174.700 0.049 0.000 1.006 593 T CA 0.806 62.932 62.100 0.042 0.000 1.115 593 T CB 0.359 69.249 68.868 0.037 0.000 0.939 593 T HN 0.450 nan 8.240 nan 0.000 0.462 594 S N 0.824 116.567 115.700 0.071 0.000 2.654 594 S HA 0.510 4.980 4.470 0.001 0.000 0.283 594 S C 0.360 175.018 174.600 0.097 0.000 1.180 594 S CA -0.755 57.490 58.200 0.075 0.000 1.021 594 S CB 1.708 64.959 63.200 0.085 0.000 1.018 594 S HN 0.049 nan 8.310 nan 0.000 0.532 595 S N 0.609 116.363 115.700 0.090 0.000 2.575 595 S HA 0.317 4.787 4.470 0.001 0.000 0.237 595 S C -0.275 174.394 174.600 0.115 0.000 0.975 595 S CA -0.489 57.778 58.200 0.112 0.000 0.960 595 S CB -0.305 62.952 63.200 0.094 0.000 0.822 595 S HN 0.605 nan 8.310 nan 0.000 0.472 596 K N 0.803 121.267 120.400 0.107 0.000 2.508 596 K HA 0.617 4.938 4.320 0.001 0.000 0.260 596 K C -1.469 175.209 176.600 0.131 0.000 0.949 596 K CA -0.687 55.661 56.287 0.102 0.000 0.834 596 K CB 2.476 35.013 32.500 0.062 0.000 1.365 596 K HN -0.112 nan 8.250 nan 0.000 0.437 597 V N 2.639 122.636 119.914 0.138 0.000 2.555 597 V HA 0.390 4.511 4.120 0.001 0.000 0.302 597 V C -0.637 175.567 176.094 0.183 0.000 1.038 597 V CA -0.780 61.612 62.300 0.153 0.000 0.887 597 V CB 1.440 33.350 31.823 0.145 0.000 0.991 597 V HN 0.838 nan 8.190 nan 0.000 0.434 598 H N 4.682 123.772 119.070 0.032 0.000 2.667 598 H HA 0.556 5.112 4.556 0.001 0.000 0.353 598 H C -0.774 174.555 175.328 0.003 0.000 1.072 598 H CA -1.065 54.986 56.048 0.006 0.000 1.214 598 H CB 1.754 31.499 29.762 -0.029 0.000 1.600 598 H HN 0.485 nan 8.280 nan 0.000 0.527 599 L N 2.130 123.318 121.223 -0.059 0.000 2.664 599 L HA 0.156 4.497 4.340 0.001 0.000 0.233 599 L C 0.370 177.185 176.870 -0.091 0.000 1.113 599 L CA -0.090 54.672 54.840 -0.131 0.000 0.896 599 L CB -0.348 41.621 42.059 -0.151 0.000 1.163 599 L HN 0.708 nan 8.230 nan 0.000 0.497 600 N N 0.292 118.985 118.700 -0.010 0.000 1.210 600 N HA -0.295 4.445 4.740 0.001 0.000 0.127 600 N C -0.144 175.375 175.510 0.015 0.000 0.844 600 N CA 1.482 54.544 53.050 0.020 0.000 0.899 600 N CB -0.769 37.739 38.487 0.035 0.000 1.086 600 N HN 0.312 nan 8.380 nan 0.000 0.588 601 N N 0.595 119.318 118.700 0.039 0.000 2.497 601 N HA 0.401 5.142 4.740 0.001 0.000 0.271 601 N C -0.853 174.627 175.510 -0.049 0.000 1.142 601 N CA -0.317 52.761 53.050 0.047 0.000 0.965 601 N CB 1.011 39.544 38.487 0.078 0.000 1.077 601 N HN 0.391 nan 8.380 nan 0.000 0.462 602 V N -0.759 119.085 119.914 -0.117 0.000 3.078 602 V HA 0.683 4.804 4.120 0.001 0.000 0.311 602 V C 0.209 176.252 176.094 -0.086 0.000 1.138 602 V CA -0.972 61.236 62.300 -0.154 0.000 1.007 602 V CB 1.523 33.066 31.823 -0.467 0.000 1.045 602 V HN 0.690 nan 8.190 nan 0.000 0.432 603 S N 0.209 115.925 115.700 0.027 0.000 2.647 603 S HA 0.404 4.874 4.470 0.001 0.000 0.284 603 S C 0.486 175.188 174.600 0.170 0.000 1.134 603 S CA -0.047 58.187 58.200 0.056 0.000 1.027 603 S CB 0.826 64.066 63.200 0.066 0.000 1.180 603 S HN 0.782 nan 8.310 nan 0.000 0.521 604 D N 0.615 121.112 120.400 0.161 0.000 2.310 604 D HA 0.050 4.690 4.640 0.001 0.000 0.212 604 D C -0.061 176.387 176.300 0.247 0.000 0.965 604 D CA 1.084 55.223 54.000 0.230 0.000 0.879 604 D CB 0.023 40.925 40.800 0.170 0.000 0.921 604 D HN 0.435 nan 8.370 nan 0.000 0.510 605 K N 0.464 120.986 120.400 0.202 0.000 2.394 605 K HA 0.403 4.723 4.320 0.001 0.000 0.260 605 K C -0.658 176.056 176.600 0.189 0.000 0.967 605 K CA -0.563 55.784 56.287 0.101 0.000 0.855 605 K CB 1.589 34.118 32.500 0.049 0.000 1.101 605 K HN -0.094 nan 8.250 nan 0.000 0.433 606 F N -0.798 119.165 119.950 0.022 0.000 2.685 606 F HA 0.524 5.052 4.527 0.001 0.000 0.315 606 F C -1.013 174.765 175.800 -0.036 0.000 1.126 606 F CA -1.232 56.763 58.000 -0.008 0.000 0.950 606 F CB 1.313 40.307 39.000 -0.010 0.000 1.360 606 F HN 0.232 nan 8.300 nan 0.000 0.469 607 E N 0.879 121.154 120.200 0.124 0.000 2.227 607 E HA 0.639 4.989 4.350 0.001 0.000 0.268 607 E C -1.593 175.028 176.600 0.035 0.000 0.907 607 E CA -1.345 55.047 56.400 -0.014 0.000 0.786 607 E CB 3.129 32.821 29.700 -0.013 0.000 1.191 607 E HN 0.465 nan 8.360 nan 0.000 0.411 608 V N 2.301 122.159 119.914 -0.094 0.000 2.350 608 V HA 0.281 4.402 4.120 0.001 0.000 0.285 608 V C -0.410 175.625 176.094 -0.099 0.000 1.014 608 V CA -0.507 61.709 62.300 -0.139 0.000 0.831 608 V CB 1.559 33.148 31.823 -0.391 0.000 1.000 608 V HN 0.683 nan 8.190 nan 0.000 0.433 609 T N 5.098 119.618 114.554 -0.056 0.000 2.779 609 T HA 0.680 5.030 4.350 0.001 0.000 0.280 609 T C -0.216 174.472 174.700 -0.021 0.000 0.987 609 T CA -0.403 61.669 62.100 -0.047 0.000 0.966 609 T CB 1.592 70.437 68.868 -0.039 0.000 0.933 609 T HN 0.661 nan 8.240 nan 0.000 0.442 610 V N 1.309 121.216 119.914 -0.013 0.000 3.074 610 V HA 0.696 4.817 4.120 0.001 0.000 0.314 610 V C -0.808 175.264 176.094 -0.036 0.000 1.117 610 V CA -1.267 61.048 62.300 0.025 0.000 1.014 610 V CB 2.142 34.038 31.823 0.121 0.000 1.057 610 V HN 0.860 nan 8.190 nan 0.000 0.438 611 N N 0.505 119.161 118.700 -0.072 0.000 2.407 611 N HA 0.623 5.364 4.740 0.001 0.000 0.277 611 N C -1.322 173.944 175.510 -0.406 0.000 0.995 611 N CA -0.583 52.323 53.050 -0.241 0.000 0.903 611 N CB 2.401 40.724 38.487 -0.273 0.000 1.218 611 N HN 0.579 nan 8.380 nan 0.000 0.487 612 V N 3.151 122.792 119.914 -0.455 0.000 2.407 612 V HA 0.156 4.276 4.120 0.001 0.000 0.278 612 V C -0.102 175.615 176.094 -0.629 0.000 1.037 612 V CA -0.401 61.594 62.300 -0.508 0.000 0.900 612 V CB 0.677 32.233 31.823 -0.445 0.000 0.983 612 V HN 0.650 nan 8.190 nan 0.000 0.459 613 H N 3.970 122.726 119.070 -0.523 0.000 2.581 613 H HA 0.288 4.845 4.556 0.001 0.000 0.308 613 H C -0.364 174.711 175.328 -0.422 0.000 1.040 613 H CA -0.481 55.239 56.048 -0.547 0.000 1.231 613 H CB 1.379 30.556 29.762 -0.976 0.000 1.396 613 H HN 0.604 nan 8.280 nan 0.000 0.467 614 N N 2.778 121.385 118.700 -0.155 0.000 2.457 614 N HA 0.058 4.799 4.740 0.001 0.000 0.250 614 N C 0.224 175.723 175.510 -0.018 0.000 0.982 614 N CA -0.444 52.559 53.050 -0.079 0.000 0.941 614 N CB 0.754 39.200 38.487 -0.070 0.000 1.120 614 N HN 0.439 nan 8.380 nan 0.000 0.505 615 K N 0.809 121.228 120.400 0.031 0.000 2.374 615 K HA 0.076 4.397 4.320 0.001 0.000 0.196 615 K C 0.383 177.034 176.600 0.085 0.000 1.023 615 K CA -0.135 56.197 56.287 0.076 0.000 1.103 615 K CB 0.178 32.755 32.500 0.128 0.000 0.848 615 K HN 0.640 nan 8.250 nan 0.000 0.528 616 S N 1.167 116.902 115.700 0.058 0.000 2.632 616 S HA 0.033 4.503 4.470 0.001 0.000 0.271 616 S C 0.742 175.362 174.600 0.033 0.000 1.260 616 S CA -0.671 57.559 58.200 0.050 0.000 1.010 616 S CB 1.128 64.353 63.200 0.042 0.000 0.965 616 S HN 0.243 nan 8.310 nan 0.000 0.534 617 D N 0.042 120.459 120.400 0.028 0.000 2.336 617 D HA 0.032 4.672 4.640 0.001 0.000 0.229 617 D C 0.290 176.598 176.300 0.014 0.000 1.061 617 D CA 0.007 54.019 54.000 0.020 0.000 0.875 617 D CB -0.359 40.452 40.800 0.017 0.000 0.904 617 D HN 0.756 nan 8.370 nan 0.000 0.525 618 K N -0.128 120.281 120.400 0.014 0.000 2.426 618 K HA 0.515 4.836 4.320 0.001 0.000 0.251 618 K C -3.201 173.403 176.600 0.007 0.000 0.941 618 K CA -1.991 54.302 56.287 0.010 0.000 0.808 618 K CB 2.587 35.094 32.500 0.012 0.000 1.265 618 K HN -0.300 nan 8.250 nan 0.000 0.432 619 P HA -0.031 nan 4.420 nan 0.000 0.269 619 P C -1.061 176.240 177.300 0.002 0.000 1.215 619 P CA -0.047 63.052 63.100 -0.002 0.000 0.780 619 P CB 0.682 32.380 31.700 -0.004 0.000 0.898 620 Q N 1.348 121.146 119.800 -0.002 0.000 2.337 620 Q HA 0.348 4.689 4.340 0.001 0.000 0.270 620 Q C -0.370 175.634 176.000 0.007 0.000 1.043 620 Q CA -0.493 55.314 55.803 0.007 0.000 0.794 620 Q CB 2.404 31.145 28.738 0.005 0.000 1.281 620 Q HN 0.480 nan 8.270 nan 0.000 0.446 621 E N 2.581 122.789 120.200 0.012 0.000 2.197 621 E HA 0.597 4.948 4.350 0.001 0.000 0.281 621 E C -0.513 176.097 176.600 0.017 0.000 0.995 621 E CA -0.283 56.112 56.400 -0.010 0.000 0.808 621 E CB 1.336 31.021 29.700 -0.025 0.000 1.093 621 E HN 0.337 nan 8.360 nan 0.000 0.394 622 L N 2.335 123.559 121.223 0.002 0.000 2.359 622 L HA 0.514 4.854 4.340 0.001 0.000 0.256 622 L C -1.241 175.645 176.870 0.027 0.000 1.026 622 L CA -1.103 53.812 54.840 0.124 0.000 0.828 622 L CB 1.462 43.691 42.059 0.284 0.000 1.406 622 L HN 0.526 nan 8.230 nan 0.000 0.413 623 Y N 0.603 121.049 120.300 0.244 0.000 2.393 623 Y HA 0.567 5.117 4.550 0.001 0.000 0.341 623 Y C -0.635 175.552 175.900 0.477 0.000 0.988 623 Y CA -0.611 57.631 58.100 0.237 0.000 1.078 623 Y CB 1.865 40.320 38.460 -0.009 0.000 1.203 623 Y HN 0.395 nan 8.280 nan 0.000 0.453 624 Y N 0.294 120.878 120.300 0.473 0.000 2.553 624 Y HA 0.786 5.337 4.550 0.001 0.000 0.347 624 Y C -1.212 174.633 175.900 -0.092 0.000 1.019 624 Y CA -1.333 56.812 58.100 0.074 0.000 1.032 624 Y CB 1.653 39.865 38.460 -0.414 0.000 1.284 624 Y HN 0.632 nan 8.280 nan 0.000 0.466 625 Q N 1.917 121.535 119.800 -0.303 0.000 2.590 625 Q HA 0.939 5.279 4.340 0.001 0.000 0.295 625 Q C -2.098 173.715 176.000 -0.312 0.000 0.973 625 Q CA -1.344 54.150 55.803 -0.515 0.000 0.768 625 Q CB 2.381 30.410 28.738 -1.180 0.000 1.479 625 Q HN 1.186 nan 8.270 nan 0.000 0.419 626 A N 0.859 123.525 122.820 -0.256 0.000 2.371 626 A HA 0.745 5.065 4.320 0.001 0.000 0.311 626 A C -0.435 177.052 177.584 -0.162 0.000 1.068 626 A CA -0.308 51.649 52.037 -0.134 0.000 0.744 626 A CB 1.691 20.617 19.000 -0.122 0.000 1.239 626 A HN 0.770 nan 8.150 nan 0.000 0.435 627 T N -0.743 113.778 114.554 -0.055 0.000 2.907 627 T HA 0.689 5.040 4.350 0.001 0.000 0.284 627 T C -0.413 174.267 174.700 -0.033 0.000 1.004 627 T CA -0.581 61.475 62.100 -0.073 0.000 1.063 627 T CB 1.186 70.038 68.868 -0.026 0.000 0.992 627 T HN 0.777 nan 8.240 nan 0.000 0.483 628 V N 3.944 123.772 119.914 -0.144 0.000 2.577 628 V HA 0.648 4.769 4.120 0.001 0.000 0.303 628 V C -0.354 175.709 176.094 -0.050 0.000 1.042 628 V CA -0.816 61.428 62.300 -0.093 0.000 0.872 628 V CB 1.232 32.869 31.823 -0.309 0.000 0.998 628 V HN 1.177 nan 8.190 nan 0.000 0.423 629 Q N 2.361 122.165 119.800 0.006 0.000 2.590 629 Q HA 0.821 5.162 4.340 0.001 0.000 0.295 629 Q C -1.134 174.915 176.000 0.082 0.000 0.973 629 Q CA -0.726 55.091 55.803 0.022 0.000 0.768 629 Q CB 2.615 31.387 28.738 0.056 0.000 1.479 629 Q HN 0.543 nan 8.270 nan 0.000 0.419 630 T N -1.025 113.589 114.554 0.100 0.000 2.590 630 T HA 0.359 4.709 4.350 0.001 0.000 0.282 630 T C -1.453 173.380 174.700 0.221 0.000 0.989 630 T CA -0.391 61.829 62.100 0.201 0.000 1.091 630 T CB 1.459 70.430 68.868 0.172 0.000 1.460 630 T HN 0.627 nan 8.240 nan 0.000 0.499 631 D N 1.873 122.460 120.400 0.311 0.000 2.225 631 D HA 0.351 4.992 4.640 0.001 0.000 0.249 631 D C -0.389 176.058 176.300 0.245 0.000 1.052 631 D CA -0.240 53.970 54.000 0.349 0.000 0.909 631 D CB 1.401 42.557 40.800 0.594 0.000 1.186 631 D HN 0.385 nan 8.370 nan 0.000 0.431 632 K N 0.901 121.424 120.400 0.205 0.000 2.174 632 K HA 0.432 4.752 4.320 0.001 0.000 0.275 632 K C -1.017 175.653 176.600 0.117 0.000 1.015 632 K CA -0.535 55.823 56.287 0.117 0.000 0.933 632 K CB 0.867 33.419 32.500 0.087 0.000 1.025 632 K HN 0.108 nan 8.250 nan 0.000 0.463 633 V N 2.792 122.724 119.914 0.030 0.000 2.715 633 V HA 0.205 4.325 4.120 0.001 0.000 0.310 633 V C -0.932 175.154 176.094 -0.013 0.000 1.054 633 V CA -0.675 61.600 62.300 -0.041 0.000 0.928 633 V CB 1.854 33.591 31.823 -0.144 0.000 1.007 633 V HN 0.856 nan 8.190 nan 0.000 0.437 634 D N 2.396 122.798 120.400 0.003 0.000 2.408 634 D HA 0.551 5.192 4.640 0.001 0.000 0.261 634 D C 0.577 176.902 176.300 0.041 0.000 1.190 634 D CA 0.935 54.954 54.000 0.033 0.000 0.910 634 D CB 0.875 41.712 40.800 0.062 0.000 1.097 634 D HN 0.854 nan 8.370 nan 0.000 0.522 635 G N 4.691 113.491 108.800 0.001 0.000 2.557 635 G HA2 -0.355 3.606 3.960 0.001 0.000 0.292 635 G HA3 -0.355 3.606 3.960 0.001 0.000 0.292 635 G C 0.786 175.641 174.900 -0.076 0.000 1.162 635 G CA 0.657 45.750 45.100 -0.012 0.000 0.964 635 G HN 0.597 nan 8.290 nan 0.000 0.541 636 K N 0.919 121.251 120.400 -0.114 0.000 2.358 636 K HA 0.319 4.639 4.320 0.001 0.000 0.197 636 K C 0.453 176.817 176.600 -0.393 0.000 1.025 636 K CA 0.154 56.285 56.287 -0.260 0.000 1.104 636 K CB 0.234 32.559 32.500 -0.291 0.000 0.855 636 K HN 0.657 nan 8.250 nan 0.000 0.531 637 H N 0.180 119.201 119.070 -0.082 0.000 2.670 637 H HA 0.269 4.826 4.556 0.001 0.000 0.361 637 H C -0.847 174.402 175.328 -0.131 0.000 1.169 637 H CA -1.002 55.013 56.048 -0.055 0.000 1.198 637 H CB 1.093 30.881 29.762 0.043 0.000 1.700 637 H HN -0.085 nan 8.280 nan 0.000 0.542 638 F N 0.200 120.183 119.950 0.054 0.000 2.412 638 F HA 0.177 4.705 4.527 0.001 0.000 0.348 638 F C 1.382 177.145 175.800 -0.062 0.000 1.102 638 F CA -0.200 57.758 58.000 -0.071 0.000 1.196 638 F CB 1.067 39.875 39.000 -0.320 0.000 1.144 638 F HN 0.664 nan 8.300 nan 0.000 0.541 639 A N 2.873 125.778 122.820 0.142 0.000 2.169 639 A HA 0.185 4.506 4.320 0.001 0.000 0.212 639 A C 0.808 178.414 177.584 0.036 0.000 1.153 639 A CA 0.108 52.192 52.037 0.077 0.000 0.756 639 A CB -0.385 18.657 19.000 0.069 0.000 0.813 639 A HN 0.692 nan 8.150 nan 0.000 0.471 640 L N -2.741 118.489 121.223 0.011 0.000 3.512 640 L HA -0.153 4.187 4.340 0.001 0.000 0.446 640 L C 0.083 177.097 176.870 0.240 0.000 1.290 640 L CA 0.789 55.629 54.840 -0.000 0.000 0.871 640 L CB -2.416 39.599 42.059 -0.073 0.000 1.767 640 L HN 0.840 nan 8.230 nan 0.000 0.855 641 A N -0.384 122.574 122.820 0.230 0.000 2.572 641 A HA 0.964 5.285 4.320 0.001 0.000 0.295 641 A C -2.740 174.966 177.584 0.204 0.000 1.072 641 A CA -0.939 51.223 52.037 0.209 0.000 0.691 641 A CB 2.169 21.227 19.000 0.096 0.000 1.291 641 A HN 0.020 nan 8.150 nan 0.000 0.404 642 P HA 0.447 nan 4.420 nan 0.000 0.277 642 P C -1.188 176.136 177.300 0.040 0.000 1.240 642 P CA -0.258 62.904 63.100 0.103 0.000 0.798 642 P CB 1.277 32.992 31.700 0.024 0.000 0.979 643 K N 2.486 122.920 120.400 0.056 0.000 2.604 643 K HA 0.307 4.627 4.320 0.001 0.000 0.247 643 K C -1.329 175.271 176.600 0.000 0.000 0.956 643 K CA -1.077 55.222 56.287 0.020 0.000 0.896 643 K CB 0.469 32.988 32.500 0.032 0.000 1.131 643 K HN 0.216 nan 8.250 nan 0.000 0.440 644 V N 6.397 126.303 119.914 -0.012 0.000 2.715 644 V HA 0.220 4.341 4.120 0.001 0.000 0.299 644 V C 0.253 176.309 176.094 -0.063 0.000 1.054 644 V CA 0.246 62.544 62.300 -0.003 0.000 1.077 644 V CB 0.449 32.293 31.823 0.036 0.000 0.972 644 V HN 0.914 nan 8.190 nan 0.000 0.484 645 L N 5.499 126.647 121.223 -0.125 0.000 2.453 645 L HA 0.421 4.762 4.340 0.001 0.000 0.190 645 L C 0.178 177.062 176.870 0.023 0.000 1.093 645 L CA 0.423 55.037 54.840 -0.376 0.000 0.834 645 L CB 0.147 41.798 42.059 -0.681 0.000 1.090 645 L HN 0.879 nan 8.230 nan 0.000 0.489 646 Y N -0.785 119.466 120.300 -0.081 0.000 2.852 646 Y HA 0.457 5.008 4.550 0.001 0.000 0.350 646 Y C -1.842 174.085 175.900 0.046 0.000 1.272 646 Y CA -1.560 56.566 58.100 0.043 0.000 1.086 646 Y CB 0.712 39.252 38.460 0.133 0.000 1.408 646 Y HN 0.080 nan 8.280 nan 0.000 0.447 647 E N 0.474 120.670 120.200 -0.008 0.000 2.340 647 E HA 0.537 4.888 4.350 0.001 0.000 0.273 647 E C -1.247 175.308 176.600 -0.075 0.000 0.891 647 E CA -1.039 55.254 56.400 -0.178 0.000 0.757 647 E CB 2.569 32.222 29.700 -0.079 0.000 1.231 647 E HN 0.804 nan 8.360 nan 0.000 0.439 648 T N -0.122 114.316 114.554 -0.194 0.000 2.868 648 T HA 0.295 4.646 4.350 0.001 0.000 0.292 648 T C 0.567 175.133 174.700 -0.222 0.000 1.028 648 T CA -0.601 61.442 62.100 -0.095 0.000 1.059 648 T CB 1.012 69.805 68.868 -0.124 0.000 0.991 648 T HN 0.573 nan 8.240 nan 0.000 0.531 649 S N 0.784 116.407 115.700 -0.129 0.000 2.565 649 S HA 0.265 4.736 4.470 0.001 0.000 0.274 649 S C -0.378 174.113 174.600 -0.183 0.000 1.309 649 S CA -1.180 56.939 58.200 -0.135 0.000 1.043 649 S CB -0.269 62.929 63.200 -0.003 0.000 0.939 649 S HN 0.757 nan 8.310 nan 0.000 0.504 650 W N 1.792 123.055 121.300 -0.062 0.000 2.391 650 W HA 0.162 4.822 4.660 0.001 0.000 0.339 650 W C 0.988 177.421 176.519 -0.143 0.000 1.252 650 W CA 0.025 57.315 57.345 -0.092 0.000 1.304 650 W CB 0.225 29.687 29.460 0.004 0.000 1.179 650 W HN 0.512 nan 8.180 nan 0.000 0.567 651 Q N 2.805 122.498 119.800 -0.178 0.000 2.387 651 Q HA 0.403 4.744 4.340 0.001 0.000 0.273 651 Q C -0.670 175.148 176.000 -0.305 0.000 1.089 651 Q CA -1.233 54.344 55.803 -0.377 0.000 0.824 651 Q CB 2.815 31.025 28.738 -0.880 0.000 1.367 651 Q HN 0.442 nan 8.270 nan 0.000 0.443 652 K N 1.538 121.831 120.400 -0.178 0.000 2.118 652 K HA 0.717 5.037 4.320 0.001 0.000 0.254 652 K C -1.046 175.554 176.600 -0.000 0.000 0.961 652 K CA -0.560 55.570 56.287 -0.261 0.000 0.876 652 K CB 1.239 33.487 32.500 -0.419 0.000 1.077 652 K HN 0.655 nan 8.250 nan 0.000 0.440 653 I N 0.953 121.543 120.570 0.033 0.000 2.908 653 I HA 0.233 4.403 4.170 0.001 0.000 0.300 653 I C -1.519 174.617 176.117 0.032 0.000 1.385 653 I CA -0.366 60.997 61.300 0.105 0.000 1.004 653 I CB 2.518 40.664 38.000 0.244 0.000 1.309 653 I HN 0.783 nan 8.210 nan 0.000 0.449 654 T N 3.881 118.443 114.554 0.013 0.000 2.824 654 T HA 0.706 5.056 4.350 0.001 0.000 0.282 654 T C -0.787 173.905 174.700 -0.013 0.000 0.993 654 T CA -0.561 61.536 62.100 -0.005 0.000 0.967 654 T CB 1.481 70.340 68.868 -0.015 0.000 0.960 654 T HN 0.241 nan 8.240 nan 0.000 0.441 655 I N 5.147 125.703 120.570 -0.023 0.000 2.330 655 I HA 0.387 4.558 4.170 0.001 0.000 0.289 655 I C -2.063 174.032 176.117 -0.036 0.000 1.001 655 I CA -2.550 58.723 61.300 -0.046 0.000 1.193 655 I CB 1.340 39.293 38.000 -0.079 0.000 1.345 655 I HN 0.460 nan 8.210 nan 0.000 0.461 656 P HA 0.101 nan 4.420 nan 0.000 0.270 656 P C -0.292 176.995 177.300 -0.022 0.000 1.223 656 P CA -0.365 62.721 63.100 -0.023 0.000 0.785 656 P CB 0.592 32.279 31.700 -0.022 0.000 0.923 657 A N 2.421 125.235 122.820 -0.011 0.000 2.547 657 A HA -0.042 4.279 4.320 0.001 0.000 0.233 657 A C 0.898 178.480 177.584 -0.004 0.000 1.067 657 A CA 0.039 52.074 52.037 -0.004 0.000 0.763 657 A CB -1.030 17.972 19.000 0.003 0.000 1.007 657 A HN 0.734 nan 8.150 nan 0.000 0.506 658 N N -0.311 118.392 118.700 0.004 0.000 2.698 658 N HA -0.197 4.544 4.740 0.001 0.000 0.258 658 N C -0.040 175.468 175.510 -0.003 0.000 0.978 658 N CA 1.364 54.419 53.050 0.009 0.000 0.777 658 N CB -1.235 37.263 38.487 0.018 0.000 0.907 658 N HN 1.199 nan 8.380 nan 0.000 0.543 659 S N -2.361 113.326 115.700 -0.022 0.000 2.643 659 S HA 0.743 5.214 4.470 0.001 0.000 0.270 659 S C -0.455 174.095 174.600 -0.083 0.000 1.166 659 S CA -0.536 57.642 58.200 -0.038 0.000 0.815 659 S CB 2.448 65.625 63.200 -0.039 0.000 1.139 659 S HN 0.355 nan 8.310 nan 0.000 0.472 660 S N -0.091 115.540 115.700 -0.115 0.000 2.568 660 S HA 0.825 5.296 4.470 0.001 0.000 0.293 660 S C -1.096 173.382 174.600 -0.204 0.000 1.089 660 S CA -0.799 57.257 58.200 -0.240 0.000 0.945 660 S CB 1.783 64.776 63.200 -0.345 0.000 1.077 660 S HN 1.029 nan 8.310 nan 0.000 0.485 661 K N 1.131 121.384 120.400 -0.244 0.000 2.501 661 K HA 0.327 4.648 4.320 0.001 0.000 0.252 661 K C -1.135 175.353 176.600 -0.187 0.000 0.934 661 K CA -0.408 55.778 56.287 -0.169 0.000 0.797 661 K CB 1.866 34.294 32.500 -0.120 0.000 1.270 661 K HN 0.820 nan 8.250 nan 0.000 0.431 662 Q N 1.742 121.458 119.800 -0.141 0.000 2.299 662 Q HA 0.358 4.699 4.340 0.001 0.000 0.246 662 Q C -0.872 175.052 176.000 -0.126 0.000 0.935 662 Q CA -0.709 55.018 55.803 -0.127 0.000 0.887 662 Q CB 1.915 30.598 28.738 -0.091 0.000 1.223 662 Q HN 0.300 nan 8.270 nan 0.000 0.439 663 V N 1.943 121.771 119.914 -0.142 0.000 2.531 663 V HA 0.369 4.489 4.120 0.001 0.000 0.301 663 V C -0.472 175.510 176.094 -0.187 0.000 1.034 663 V CA -0.657 61.497 62.300 -0.244 0.000 0.865 663 V CB 2.131 33.722 31.823 -0.387 0.000 0.995 663 V HN 0.764 nan 8.190 nan 0.000 0.424 664 T N 4.178 118.643 114.554 -0.148 0.000 2.792 664 T HA 0.581 4.932 4.350 0.001 0.000 0.280 664 T C -0.526 174.155 174.700 -0.032 0.000 0.990 664 T CA -0.379 61.674 62.100 -0.079 0.000 0.960 664 T CB 1.609 70.452 68.868 -0.043 0.000 0.939 664 T HN 0.344 nan 8.240 nan 0.000 0.439 665 V N 6.969 126.852 119.914 -0.053 0.000 2.350 665 V HA 0.396 4.517 4.120 0.001 0.000 0.285 665 V C -2.112 173.917 176.094 -0.108 0.000 1.014 665 V CA -2.070 60.215 62.300 -0.026 0.000 0.831 665 V CB 1.385 33.180 31.823 -0.048 0.000 1.000 665 V HN 0.694 nan 8.190 nan 0.000 0.433 666 P HA 0.434 nan 4.420 nan 0.000 0.279 666 P C -0.795 176.393 177.300 -0.187 0.000 1.239 666 P CA -0.075 62.949 63.100 -0.127 0.000 0.789 666 P CB 1.597 33.260 31.700 -0.062 0.000 0.933 667 I N 2.176 122.527 120.570 -0.364 0.000 2.569 667 I HA 0.362 4.532 4.170 0.001 0.000 0.296 667 I C -0.317 175.625 176.117 -0.292 0.000 1.028 667 I CA -0.427 60.626 61.300 -0.412 0.000 1.082 667 I CB 2.340 39.751 38.000 -0.982 0.000 1.264 667 I HN 0.240 nan 8.210 nan 0.000 0.429 668 D N 4.760 125.173 120.400 0.021 0.000 2.479 668 D HA 0.496 5.136 4.640 0.001 0.000 0.246 668 D C -0.472 175.955 176.300 0.211 0.000 1.336 668 D CA -0.290 53.745 54.000 0.057 0.000 0.967 668 D CB 1.909 42.713 40.800 0.006 0.000 1.275 668 D HN 0.599 nan 8.370 nan 0.000 0.577 669 A N 2.661 125.658 122.820 0.295 0.000 2.594 669 A HA 0.214 4.535 4.320 0.001 0.000 0.287 669 A C 1.664 179.486 177.584 0.397 0.000 1.227 669 A CA 0.412 52.755 52.037 0.510 0.000 0.952 669 A CB -0.177 19.141 19.000 0.530 0.000 1.161 669 A HN 0.465 nan 8.150 nan 0.000 0.524 670 S N 0.598 116.414 115.700 0.194 0.000 2.400 670 S HA -0.188 4.282 4.470 0.001 0.000 0.232 670 S C 1.708 176.326 174.600 0.030 0.000 1.025 670 S CA 0.906 59.175 58.200 0.114 0.000 0.993 670 S CB -0.356 62.875 63.200 0.050 0.000 0.808 670 S HN 0.484 nan 8.310 nan 0.000 0.478 671 R N 0.593 121.023 120.500 -0.117 0.000 2.285 671 R HA 0.156 4.497 4.340 0.001 0.000 0.213 671 R C 1.076 177.139 176.300 -0.395 0.000 1.068 671 R CA 0.613 56.517 56.100 -0.326 0.000 1.004 671 R CB -1.109 28.858 30.300 -0.554 0.000 0.873 671 R HN 0.642 nan 8.270 nan 0.000 0.467 672 F N -0.565 119.397 119.950 0.021 0.000 2.731 672 F HA 0.202 4.730 4.527 0.001 0.000 0.298 672 F C 2.187 177.983 175.800 -0.007 0.000 1.106 672 F CA -0.116 57.889 58.000 0.008 0.000 1.329 672 F CB -0.075 38.944 39.000 0.031 0.000 1.100 672 F HN -0.148 nan 8.300 nan 0.000 0.592 673 S N 0.857 116.679 115.700 0.203 0.000 2.389 673 S HA -0.330 4.141 4.470 0.001 0.000 0.229 673 S C 2.203 176.860 174.600 0.093 0.000 1.048 673 S CA 2.038 60.349 58.200 0.186 0.000 1.117 673 S CB -0.331 62.967 63.200 0.163 0.000 1.020 673 S HN 0.371 nan 8.310 nan 0.000 0.430 674 K N 0.639 121.069 120.400 0.050 0.000 2.020 674 K HA -0.206 4.115 4.320 0.001 0.000 0.212 674 K C 1.598 178.200 176.600 0.003 0.000 1.050 674 K CA 2.051 58.350 56.287 0.021 0.000 0.929 674 K CB -0.267 32.234 32.500 0.001 0.000 0.714 674 K HN 0.234 nan 8.250 nan 0.000 0.443 675 D N 0.629 121.029 120.400 -0.000 0.000 2.117 675 D HA -0.148 4.492 4.640 0.001 0.000 0.197 675 D C 2.011 178.272 176.300 -0.064 0.000 0.987 675 D CA 1.100 55.090 54.000 -0.015 0.000 0.829 675 D CB -0.178 40.631 40.800 0.015 0.000 0.961 675 D HN 0.265 nan 8.370 nan 0.000 0.460 676 L N 0.182 121.328 121.223 -0.128 0.000 2.093 676 L HA -0.093 4.248 4.340 0.001 0.000 0.208 676 L C 2.503 179.227 176.870 -0.243 0.000 1.085 676 L CA 0.560 55.189 54.840 -0.353 0.000 0.755 676 L CB -0.329 41.209 42.059 -0.869 0.000 0.904 676 L HN 0.037 nan 8.230 nan 0.000 0.435 677 L N -0.294 120.900 121.223 -0.048 0.000 2.141 677 L HA -0.136 4.204 4.340 0.001 0.000 0.209 677 L C 2.830 179.702 176.870 0.004 0.000 1.094 677 L CA 0.887 55.769 54.840 0.070 0.000 0.763 677 L CB -0.631 41.491 42.059 0.105 0.000 0.908 677 L HN 0.228 nan 8.230 nan 0.000 0.437 678 A N -0.746 122.059 122.820 -0.025 0.000 2.019 678 A HA -0.119 4.202 4.320 0.001 0.000 0.219 678 A C 1.361 178.910 177.584 -0.059 0.000 1.164 678 A CA 0.908 52.924 52.037 -0.035 0.000 0.644 678 A CB -0.223 18.758 19.000 -0.032 0.000 0.805 678 A HN 0.421 nan 8.150 nan 0.000 0.449 682 N N 1.793 120.502 118.700 0.016 0.000 2.276 682 N HA 0.205 4.946 4.740 0.001 0.000 0.212 682 N C 0.192 175.764 175.510 0.103 0.000 1.127 682 N CA 1.201 54.275 53.050 0.039 0.000 0.834 682 N CB 1.393 39.882 38.487 0.004 0.000 1.014 682 N HN 0.564 nan 8.380 nan 0.000 0.491 683 G N 0.827 109.638 108.800 0.017 0.000 2.555 683 G HA2 -0.052 3.909 3.960 0.001 0.000 0.686 683 G HA3 -0.052 3.909 3.960 0.001 0.000 0.686 683 G C -1.570 173.182 174.900 -0.247 0.000 1.275 683 G CA -0.831 44.049 45.100 -0.367 0.000 0.871 683 G HN 0.234 nan 8.290 nan 0.000 0.603 684 Y N -2.668 117.226 120.300 -0.676 0.000 2.656 684 Y HA 0.768 5.318 4.550 0.001 0.000 0.334 684 Y C -0.491 175.161 175.900 -0.413 0.000 1.179 684 Y CA -2.271 55.671 58.100 -0.263 0.000 1.050 684 Y CB 0.544 39.005 38.460 0.001 0.000 1.308 684 Y HN 0.623 nan 8.280 nan 0.000 0.456 685 F N 1.859 121.980 119.950 0.285 0.000 2.389 685 F HA 0.577 5.104 4.527 0.001 0.000 0.337 685 F C -0.114 175.802 175.800 0.193 0.000 1.112 685 F CA -0.438 57.679 58.000 0.195 0.000 1.192 685 F CB 0.967 40.085 39.000 0.198 0.000 1.185 685 F HN 0.279 nan 8.300 nan 0.000 0.552 686 L N 3.627 125.030 121.223 0.300 0.000 2.377 686 L HA 0.425 4.765 4.340 0.001 0.000 0.270 686 L C -0.578 176.421 176.870 0.214 0.000 0.991 686 L CA -0.378 54.637 54.840 0.293 0.000 0.851 686 L CB 1.256 43.523 42.059 0.346 0.000 1.218 686 L HN 0.741 nan 8.230 nan 0.000 0.420 687 E N 2.402 122.618 120.200 0.026 0.000 2.459 687 E HA 0.928 5.279 4.350 0.001 0.000 0.275 687 E C -0.491 175.673 176.600 -0.727 0.000 0.987 687 E CA -0.880 55.245 56.400 -0.458 0.000 0.828 687 E CB 3.027 32.530 29.700 -0.329 0.000 1.428 687 E HN 0.462 nan 8.360 nan 0.000 0.457 688 G N -0.411 107.623 108.800 -1.276 0.000 2.404 688 G HA2 0.343 4.303 3.960 0.001 0.000 0.253 688 G HA3 0.343 4.303 3.960 0.001 0.000 0.253 688 G C -1.930 172.332 174.900 -1.063 0.000 1.253 688 G CA -0.855 43.725 45.100 -0.866 0.000 0.917 688 G HN 0.335 nan 8.290 nan 0.000 0.480 689 F N -0.516 119.338 119.950 -0.160 0.000 2.588 689 F HA 0.636 5.164 4.527 0.001 0.000 0.310 689 F C 0.051 175.882 175.800 0.052 0.000 1.082 689 F CA -0.916 57.062 58.000 -0.037 0.000 0.929 689 F CB 2.695 41.582 39.000 -0.188 0.000 1.254 689 F HN 0.274 nan 8.300 nan 0.000 0.455 690 V N 3.789 123.871 119.914 0.280 0.000 2.333 690 V HA 0.470 4.590 4.120 0.001 0.000 0.274 690 V C -0.111 176.016 176.094 0.056 0.000 1.028 690 V CA -0.699 61.651 62.300 0.084 0.000 0.851 690 V CB 0.903 32.779 31.823 0.088 0.000 1.000 690 V HN 0.644 nan 8.190 nan 0.000 0.456 691 R N 4.233 124.675 120.500 -0.096 0.000 2.604 691 R HA 0.709 5.050 4.340 0.001 0.000 0.287 691 R C -1.432 174.858 176.300 -0.016 0.000 0.970 691 R CA -0.472 55.662 56.100 0.057 0.000 0.946 691 R CB 1.885 32.245 30.300 0.100 0.000 1.127 691 R HN 0.482 nan 8.270 nan 0.000 0.473 692 F N 0.633 120.792 119.950 0.347 0.000 2.563 692 F HA 0.540 5.068 4.527 0.001 0.000 0.316 692 F C 0.196 176.163 175.800 0.278 0.000 1.076 692 F CA -0.819 57.406 58.000 0.373 0.000 0.921 692 F CB 1.982 41.129 39.000 0.244 0.000 1.209 692 F HN 0.156 nan 8.300 nan 0.000 0.462 693 K N 0.629 121.262 120.400 0.389 0.000 2.533 693 K HA 0.301 4.621 4.320 0.001 0.000 0.272 693 K C -0.046 176.655 176.600 0.168 0.000 0.985 693 K CA -0.934 55.439 56.287 0.142 0.000 0.876 693 K CB 2.553 34.943 32.500 -0.184 0.000 1.452 693 K HN 0.429 nan 8.250 nan 0.000 0.439 694 Q N 0.782 120.638 119.800 0.093 0.000 2.083 694 Q HA -0.039 4.302 4.340 0.001 0.000 0.198 694 Q C -0.640 175.441 176.000 0.135 0.000 0.969 694 Q CA 1.663 57.536 55.803 0.117 0.000 0.838 694 Q CB 0.287 29.060 28.738 0.058 0.000 0.900 694 Q HN 0.533 nan 8.270 nan 0.000 0.436 695 D N -3.081 117.268 120.400 -0.085 0.000 2.947 695 D HA 0.229 4.870 4.640 0.001 0.000 0.224 695 D C -2.326 173.607 176.300 -0.611 0.000 1.230 695 D CA -1.879 51.902 54.000 -0.364 0.000 0.871 695 D CB 1.713 42.371 40.800 -0.236 0.000 1.671 695 D HN -0.272 nan 8.370 nan 0.000 0.507 696 P HA -0.119 nan 4.420 nan 0.000 0.219 696 P C 0.655 177.587 177.300 -0.614 0.000 1.144 696 P CA 1.308 63.704 63.100 -1.173 0.000 0.806 696 P CB 0.246 31.219 31.700 -1.211 0.000 0.771 697 T N -2.479 111.829 114.554 -0.411 0.000 3.057 697 T HA 0.078 4.429 4.350 0.001 0.000 0.254 697 T C 0.791 175.389 174.700 -0.170 0.000 1.094 697 T CA 0.499 62.460 62.100 -0.232 0.000 1.088 697 T CB -0.009 68.753 68.868 -0.176 0.000 0.934 697 T HN 0.183 nan 8.240 nan 0.000 0.497 698 K N 1.207 121.494 120.400 -0.188 0.000 2.179 698 K HA 0.329 4.650 4.320 0.001 0.000 0.238 698 K C 0.297 176.844 176.600 -0.088 0.000 1.033 698 K CA -0.727 55.494 56.287 -0.111 0.000 0.926 698 K CB 0.534 32.981 32.500 -0.088 0.000 1.151 698 K HN -0.014 nan 8.250 nan 0.000 0.492 699 E N 1.739 121.918 120.200 -0.034 0.000 2.371 699 E HA -0.014 4.337 4.350 0.001 0.000 0.257 699 E C -0.489 176.132 176.600 0.034 0.000 1.134 699 E CA -0.054 56.348 56.400 0.003 0.000 0.919 699 E CB 0.663 30.375 29.700 0.021 0.000 1.025 699 E HN 0.414 nan 8.360 nan 0.000 0.438 700 E N 1.339 121.585 120.200 0.077 0.000 2.480 700 E HA -0.029 4.322 4.350 0.001 0.000 0.258 700 E C -0.286 176.391 176.600 0.127 0.000 0.984 700 E CA -0.183 56.296 56.400 0.131 0.000 0.930 700 E CB 0.360 30.142 29.700 0.136 0.000 0.936 700 E HN 0.158 nan 8.360 nan 0.000 0.466 704 I N 3.145 123.950 120.570 0.392 0.000 2.498 704 I HA 0.662 4.833 4.170 0.001 0.000 0.290 704 I C -2.744 173.552 176.117 0.299 0.000 1.032 704 I CA -2.525 58.967 61.300 0.320 0.000 1.073 704 I CB 2.690 40.856 38.000 0.277 0.000 1.251 704 I HN 0.546 nan 8.210 nan 0.000 0.426 705 P HA 0.274 nan 4.420 nan 0.000 0.284 705 P C -2.006 175.265 177.300 -0.048 0.000 1.258 705 P CA 0.043 63.029 63.100 -0.190 0.000 0.824 705 P CB 1.184 32.706 31.700 -0.297 0.000 1.038 706 Y N 0.585 120.756 120.300 -0.215 0.000 2.588 706 Y HA 0.825 5.376 4.550 0.001 0.000 0.343 706 Y C -1.558 174.277 175.900 -0.108 0.000 1.065 706 Y CA -1.598 56.446 58.100 -0.093 0.000 1.038 706 Y CB 1.604 40.050 38.460 -0.024 0.000 1.297 706 Y HN 0.386 nan 8.280 nan 0.000 0.467 707 I N 1.660 122.284 120.570 0.090 0.000 2.722 707 I HA 0.817 4.988 4.170 0.001 0.000 0.292 707 I C -1.139 175.042 176.117 0.107 0.000 1.267 707 I CA -0.585 60.719 61.300 0.007 0.000 1.036 707 I CB 2.124 40.075 38.000 -0.082 0.000 1.281 707 I HN 1.111 nan 8.210 nan 0.000 0.423 708 G N 4.965 113.818 108.800 0.088 0.000 2.642 708 G HA2 0.637 4.598 3.960 0.001 0.000 0.293 708 G HA3 0.637 4.598 3.960 0.001 0.000 0.293 708 G C -2.331 172.617 174.900 0.079 0.000 1.341 708 G CA -0.523 44.551 45.100 -0.044 0.000 0.916 708 G HN 0.428 nan 8.290 nan 0.000 0.474 709 F N 1.366 121.211 119.950 -0.175 0.000 2.477 709 F HA 0.574 5.102 4.527 0.001 0.000 0.335 709 F C 0.404 176.037 175.800 -0.278 0.000 1.130 709 F CA -1.359 56.485 58.000 -0.260 0.000 0.948 709 F CB 1.856 40.701 39.000 -0.259 0.000 1.154 709 F HN 0.305 nan 8.300 nan 0.000 0.439 710 R N 4.745 124.647 120.500 -0.997 0.000 2.893 710 R HA 0.522 4.862 4.340 0.001 0.000 0.243 710 R C -0.049 175.647 176.300 -1.006 0.000 1.481 710 R CA 0.659 56.238 56.100 -0.869 0.000 1.250 710 R CB -0.618 29.038 30.300 -1.074 0.000 1.213 710 R HN 1.056 nan 8.270 nan 0.000 0.609 711 G N 1.396 109.888 108.800 -0.513 0.000 2.441 711 G HA2 -0.113 3.847 3.960 0.001 0.000 0.222 711 G HA3 -0.113 3.847 3.960 0.001 0.000 0.222 711 G C -1.738 173.266 174.900 0.174 0.000 1.254 711 G CA -0.499 44.484 45.100 -0.195 0.000 0.959 711 G HN 0.332 nan 8.290 nan 0.000 0.474 712 D N -0.305 120.284 120.400 0.315 0.000 2.404 712 D HA 0.479 5.119 4.640 0.001 0.000 0.267 712 D C 0.650 177.043 176.300 0.155 0.000 1.194 712 D CA -0.782 53.347 54.000 0.216 0.000 0.910 712 D CB 0.600 41.454 40.800 0.090 0.000 1.090 712 D HN 0.169 nan 8.370 nan 0.000 0.511 713 F N 2.699 122.589 119.950 -0.101 0.000 2.095 713 F HA -0.016 4.512 4.527 0.001 0.000 0.298 713 F C 2.119 177.749 175.800 -0.282 0.000 1.104 713 F CA 2.219 59.864 58.000 -0.593 0.000 1.232 713 F CB -0.029 38.529 39.000 -0.737 0.000 0.987 713 F HN 0.430 nan 8.300 nan 0.000 0.475 714 G N -0.204 108.616 108.800 0.033 0.000 2.442 714 G HA2 -0.302 3.659 3.960 0.001 0.000 0.219 714 G HA3 -0.302 3.659 3.960 0.001 0.000 0.219 714 G C 1.256 176.099 174.900 -0.096 0.000 1.141 714 G CA 1.027 46.124 45.100 -0.005 0.000 0.763 714 G HN 0.378 nan 8.290 nan 0.000 0.554 715 N N 0.350 118.999 118.700 -0.085 0.000 2.276 715 N HA 0.169 4.910 4.740 0.001 0.000 0.212 715 N C 0.302 175.751 175.510 -0.101 0.000 1.127 715 N CA -0.095 52.912 53.050 -0.072 0.000 0.834 715 N CB 0.393 38.862 38.487 -0.030 0.000 1.014 715 N HN 0.264 nan 8.380 nan 0.000 0.491 716 L N 0.873 121.971 121.223 -0.207 0.000 2.485 716 L HA 0.011 4.352 4.340 0.001 0.000 0.275 716 L C 1.222 178.029 176.870 -0.105 0.000 1.207 716 L CA 0.017 54.741 54.840 -0.193 0.000 0.855 716 L CB 0.390 42.216 42.059 -0.389 0.000 1.114 716 L HN 0.018 nan 8.230 nan 0.000 0.485 717 S N 1.860 117.543 115.700 -0.029 0.000 2.575 717 S HA 0.098 4.569 4.470 0.001 0.000 0.295 717 S C 0.950 175.555 174.600 0.009 0.000 1.267 717 S CA 0.063 58.276 58.200 0.021 0.000 1.074 717 S CB 0.861 64.094 63.200 0.056 0.000 0.829 717 S HN 0.701 nan 8.310 nan 0.000 0.497 718 A N 4.526 127.392 122.820 0.077 0.000 2.147 718 A HA 0.342 4.663 4.320 0.001 0.000 0.211 718 A C 0.412 177.975 177.584 -0.035 0.000 1.160 718 A CA 0.114 52.205 52.037 0.091 0.000 0.781 718 A CB -0.038 19.123 19.000 0.268 0.000 0.842 718 A HN 0.730 nan 8.150 nan 0.000 0.475 719 L N -0.197 120.931 121.223 -0.158 0.000 2.362 719 L HA 0.449 4.790 4.340 0.001 0.000 0.275 719 L C -0.180 176.557 176.870 -0.222 0.000 0.998 719 L CA -0.614 53.977 54.840 -0.414 0.000 0.820 719 L CB 1.703 43.357 42.059 -0.675 0.000 1.270 719 L HN 0.302 nan 8.230 nan 0.000 0.415 720 E N 4.127 124.198 120.200 -0.215 0.000 2.384 720 E HA 0.110 4.461 4.350 0.001 0.000 0.266 720 E C -0.458 176.112 176.600 -0.050 0.000 1.012 720 E CA -0.432 55.893 56.400 -0.124 0.000 0.901 720 E CB 0.674 30.332 29.700 -0.071 0.000 0.967 720 E HN 0.622 nan 8.360 nan 0.000 0.435 721 K N 3.868 124.258 120.400 -0.017 0.000 2.440 721 K HA 0.144 4.465 4.320 0.001 0.000 0.270 721 K C -2.430 174.180 176.600 0.017 0.000 0.980 721 K CA -1.116 55.172 56.287 0.001 0.000 0.953 721 K CB -0.045 32.455 32.500 0.000 0.000 0.925 721 K HN 0.158 nan 8.250 nan 0.000 0.497 722 P HA -0.067 nan 4.420 nan 0.000 0.267 722 P C 0.401 177.615 177.300 -0.143 0.000 1.200 722 P CA -0.262 62.867 63.100 0.049 0.000 0.772 722 P CB 0.242 32.117 31.700 0.292 0.000 0.855 723 I N -0.044 120.258 120.570 -0.447 0.000 2.567 723 I HA -0.234 3.936 4.170 0.001 0.000 0.257 723 I C 1.770 177.659 176.117 -0.380 0.000 1.184 723 I CA 1.264 62.225 61.300 -0.566 0.000 1.451 723 I CB -1.871 35.406 38.000 -1.205 0.000 1.089 723 I HN 0.388 nan 8.210 nan 0.000 0.441 724 Y N 1.453 121.680 120.300 -0.122 0.000 2.256 724 Y HA -0.219 4.331 4.550 0.001 0.000 0.288 724 Y C 1.994 177.882 175.900 -0.019 0.000 1.155 724 Y CA 1.111 59.187 58.100 -0.038 0.000 1.203 724 Y CB -0.680 37.812 38.460 0.053 0.000 0.980 724 Y HN 0.185 nan 8.280 nan 0.000 0.530 725 D N -0.435 120.032 120.400 0.112 0.000 2.355 725 D HA -0.046 4.595 4.640 0.001 0.000 0.218 725 D C 0.602 176.914 176.300 0.021 0.000 1.004 725 D CA 0.448 54.485 54.000 0.062 0.000 0.880 725 D CB -0.144 40.682 40.800 0.042 0.000 0.911 725 D HN -0.011 nan 8.370 nan 0.000 0.528 726 S N 1.148 116.841 115.700 -0.012 0.000 2.443 726 S HA -0.002 4.469 4.470 0.001 0.000 0.284 726 S C 1.393 175.996 174.600 0.005 0.000 1.206 726 S CA -0.519 57.673 58.200 -0.013 0.000 1.074 726 S CB 0.353 63.529 63.200 -0.041 0.000 0.963 726 S HN -0.092 nan 8.310 nan 0.000 0.501 727 K N 3.678 124.085 120.400 0.012 0.000 2.209 727 K HA -0.093 4.227 4.320 0.001 0.000 0.204 727 K C 1.166 177.776 176.600 0.017 0.000 1.048 727 K CA 1.026 57.323 56.287 0.016 0.000 0.940 727 K CB -0.189 32.319 32.500 0.012 0.000 0.729 727 K HN 0.661 nan 8.250 nan 0.000 0.451 728 D N -0.811 119.598 120.400 0.015 0.000 2.277 728 D HA -0.009 4.632 4.640 0.001 0.000 0.209 728 D C 1.142 177.455 176.300 0.023 0.000 0.970 728 D CA 1.323 55.334 54.000 0.018 0.000 0.874 728 D CB 0.494 41.305 40.800 0.019 0.000 0.982 728 D HN 0.293 nan 8.370 nan 0.000 0.504 729 G N 0.044 108.852 108.800 0.014 0.000 2.179 729 G HA2 -0.205 3.755 3.960 0.001 0.000 0.220 729 G HA3 -0.205 3.755 3.960 0.001 0.000 0.220 729 G C 0.369 175.301 174.900 0.053 0.000 0.990 729 G CA 0.664 45.771 45.100 0.012 0.000 0.646 729 G HN 0.696 nan 8.290 nan 0.000 0.517 730 S N -0.461 115.275 115.700 0.060 0.000 2.739 730 S HA 0.933 5.403 4.470 0.001 0.000 0.306 730 S C 0.058 174.725 174.600 0.112 0.000 1.115 730 S CA 0.728 59.000 58.200 0.120 0.000 0.985 730 S CB 2.665 65.899 63.200 0.057 0.000 1.133 730 S HN 1.913 nan 8.310 nan 0.000 0.541 731 S N -0.521 115.285 115.700 0.176 0.000 2.776 731 S HA 0.409 4.880 4.470 0.001 0.000 0.292 731 S C 0.295 175.006 174.600 0.184 0.000 1.187 731 S CA -0.683 57.623 58.200 0.176 0.000 0.834 731 S CB 0.007 63.340 63.200 0.222 0.000 1.199 731 S HN 0.813 nan 8.310 nan 0.000 0.514 732 Y N 0.343 120.658 120.300 0.025 0.000 2.151 732 Y HA -0.142 4.409 4.550 0.001 0.000 0.284 732 Y C 1.397 177.220 175.900 -0.129 0.000 1.166 732 Y CA 1.859 59.897 58.100 -0.103 0.000 1.163 732 Y CB -0.175 38.124 38.460 -0.269 0.000 0.974 732 Y HN 0.724 nan 8.280 nan 0.000 0.511 733 Y N -2.343 118.052 120.300 0.158 0.000 2.467 733 Y HA 0.149 4.699 4.550 0.001 0.000 0.250 733 Y C 0.189 176.157 175.900 0.113 0.000 1.155 733 Y CA -0.209 57.922 58.100 0.052 0.000 1.249 733 Y CB 0.331 38.851 38.460 0.100 0.000 1.146 733 Y HN 0.001 nan 8.280 nan 0.000 0.524 734 H N 1.041 120.231 119.070 0.199 0.000 2.658 734 H HA 0.250 4.807 4.556 0.001 0.000 0.337 734 H C -0.918 174.479 175.328 0.114 0.000 1.009 734 H CA -0.569 55.591 56.048 0.187 0.000 1.231 734 H CB 1.366 31.354 29.762 0.377 0.000 1.508 734 H HN 0.094 nan 8.280 nan 0.000 0.517 735 E N 2.808 122.719 120.200 -0.482 0.000 2.249 735 E HA 0.370 4.721 4.350 0.001 0.000 0.280 735 E C -0.236 176.076 176.600 -0.480 0.000 1.016 735 E CA -0.623 55.577 56.400 -0.333 0.000 0.830 735 E CB 1.986 31.562 29.700 -0.207 0.000 1.081 735 E HN 0.635 nan 8.360 nan 0.000 0.395 736 A N 3.199 125.923 122.820 -0.160 0.000 2.287 736 A HA 0.207 4.528 4.320 0.001 0.000 0.273 736 A C 0.330 177.895 177.584 -0.032 0.000 1.091 736 A CA -0.536 51.484 52.037 -0.028 0.000 0.817 736 A CB 0.316 19.339 19.000 0.037 0.000 1.069 736 A HN 0.509 nan 8.150 nan 0.000 0.492 737 N N 0.765 119.473 118.700 0.014 0.000 2.462 737 N HA 0.235 4.975 4.740 0.001 0.000 0.242 737 N C -0.562 174.957 175.510 0.016 0.000 1.010 737 N CA -0.007 53.045 53.050 0.004 0.000 0.939 737 N CB 0.354 38.842 38.487 0.003 0.000 1.127 737 N HN 0.404 nan 8.380 nan 0.000 0.509 738 S N 2.479 118.183 115.700 0.007 0.000 2.572 738 S HA 0.093 4.563 4.470 0.001 0.000 0.279 738 S C -0.192 174.418 174.600 0.018 0.000 1.341 738 S CA -0.022 58.186 58.200 0.013 0.000 1.043 738 S CB 0.280 63.484 63.200 0.007 0.000 0.887 738 S HN 0.668 nan 8.310 nan 0.000 0.516 739 D N -0.236 120.178 120.400 0.022 0.000 3.017 739 D HA -0.137 4.504 4.640 0.001 0.000 0.220 739 D C -0.252 176.071 176.300 0.038 0.000 1.141 739 D CA 1.241 55.255 54.000 0.024 0.000 0.848 739 D CB -1.453 39.359 40.800 0.020 0.000 1.102 739 D HN 0.721 nan 8.370 nan 0.000 0.427 740 A N -0.196 122.656 122.820 0.054 0.000 2.913 740 A HA 0.297 4.617 4.320 0.001 0.000 0.284 740 A C 1.158 178.811 177.584 0.116 0.000 1.273 740 A CA -0.386 51.712 52.037 0.101 0.000 0.899 740 A CB 0.616 19.673 19.000 0.095 0.000 1.444 740 A HN -0.023 nan 8.150 nan 0.000 0.586 741 K N 0.591 121.047 120.400 0.093 0.000 1.976 741 K HA -0.209 4.112 4.320 0.001 0.000 0.233 741 K C 0.006 176.678 176.600 0.120 0.000 1.032 741 K CA 2.197 58.536 56.287 0.086 0.000 1.032 741 K CB -0.050 32.486 32.500 0.060 0.000 0.733 741 K HN 0.650 nan 8.250 nan 0.000 0.448 742 D N 1.160 121.668 120.400 0.180 0.000 2.587 742 D HA -0.005 4.635 4.640 0.001 0.000 0.233 742 D C -0.134 176.334 176.300 0.281 0.000 1.213 742 D CA 0.064 54.189 54.000 0.207 0.000 0.827 742 D CB 0.250 41.176 40.800 0.210 0.000 1.006 742 D HN 0.276 nan 8.370 nan 0.000 0.490 743 Q N 1.390 121.341 119.800 0.252 0.000 2.297 743 Q HA 0.218 4.559 4.340 0.001 0.000 0.267 743 Q C -0.893 175.128 176.000 0.034 0.000 1.006 743 Q CA 0.016 55.852 55.803 0.055 0.000 0.896 743 Q CB 0.632 29.366 28.738 -0.006 0.000 1.186 743 Q HN 0.099 nan 8.270 nan 0.000 0.392 744 L N 5.313 126.550 121.223 0.025 0.000 2.440 744 L HA 0.315 4.655 4.340 0.001 0.000 0.261 744 L C -1.525 175.478 176.870 0.221 0.000 1.382 744 L CA -0.311 54.587 54.840 0.096 0.000 0.871 744 L CB 1.207 43.283 42.059 0.029 0.000 1.052 744 L HN 0.663 nan 8.230 nan 0.000 0.509 745 D N 1.274 121.801 120.400 0.213 0.000 2.382 745 D HA 0.367 5.008 4.640 0.001 0.000 0.240 745 D C 0.549 176.998 176.300 0.248 0.000 1.146 745 D CA 0.639 54.766 54.000 0.211 0.000 0.897 745 D CB 1.447 42.377 40.800 0.215 0.000 1.197 745 D HN 0.548 nan 8.370 nan 0.000 0.432 746 G N 0.147 108.935 108.800 -0.020 0.000 2.695 746 G HA2 0.039 4.000 3.960 0.001 0.000 0.213 746 G HA3 0.039 4.000 3.960 0.001 0.000 0.213 746 G C 0.486 175.315 174.900 -0.118 0.000 1.406 746 G CA -0.227 44.737 45.100 -0.226 0.000 1.049 746 G HN 0.276 nan 8.290 nan 0.000 0.573 747 D N 0.060 120.334 120.400 -0.209 0.000 2.218 747 D HA 0.148 4.788 4.640 0.001 0.000 0.204 747 D C 1.786 178.099 176.300 0.022 0.000 0.976 747 D CA 1.493 55.465 54.000 -0.046 0.000 0.853 747 D CB -0.409 40.338 40.800 -0.088 0.000 0.939 747 D HN 0.832 nan 8.370 nan 0.000 0.481 748 G N 0.753 109.523 108.800 -0.050 0.000 2.645 748 G HA2 -0.294 3.667 3.960 0.001 0.000 0.246 748 G HA3 -0.294 3.667 3.960 0.001 0.000 0.246 748 G C 0.952 175.852 174.900 -0.000 0.000 1.322 748 G CA 0.171 45.265 45.100 -0.009 0.000 0.898 748 G HN 0.356 nan 8.290 nan 0.000 0.573 749 L N -2.554 118.677 121.223 0.014 0.000 2.313 749 L HA 0.449 4.790 4.340 0.001 0.000 0.214 749 L C 1.065 177.930 176.870 -0.009 0.000 1.119 749 L CA 1.819 56.659 54.840 -0.001 0.000 0.809 749 L CB -0.153 41.904 42.059 -0.003 0.000 0.933 749 L HN 0.516 nan 8.230 nan 0.000 0.449 750 Q N 1.220 121.019 119.800 -0.002 0.000 2.295 750 Q HA 0.325 4.665 4.340 0.001 0.000 0.259 750 Q C -0.933 174.974 176.000 -0.154 0.000 0.966 750 Q CA -0.784 54.947 55.803 -0.120 0.000 0.763 750 Q CB 1.254 29.884 28.738 -0.181 0.000 1.283 750 Q HN 0.255 nan 8.270 nan 0.000 0.445 751 F N 2.316 122.145 119.950 -0.202 0.000 2.418 751 F HA 0.628 5.155 4.527 0.001 0.000 0.341 751 F C -1.254 174.352 175.800 -0.323 0.000 1.120 751 F CA -0.429 57.477 58.000 -0.156 0.000 1.232 751 F CB 0.567 39.488 39.000 -0.132 0.000 1.175 751 F HN 0.423 nan 8.300 nan 0.000 0.569 752 Y N 3.282 123.602 120.300 0.033 0.000 2.376 752 Y HA 0.535 5.085 4.550 0.001 0.000 0.326 752 Y C 0.979 176.959 175.900 0.132 0.000 0.970 752 Y CA -0.583 57.484 58.100 -0.055 0.000 1.248 752 Y CB 1.479 39.914 38.460 -0.042 0.000 1.117 752 Y HN 0.936 nan 8.280 nan 0.000 0.476 753 A N 2.895 125.882 122.820 0.278 0.000 2.032 753 A HA -0.163 4.158 4.320 0.001 0.000 0.221 753 A C 1.731 179.365 177.584 0.082 0.000 1.165 753 A CA 1.660 53.838 52.037 0.234 0.000 0.645 753 A CB -0.420 18.703 19.000 0.205 0.000 0.807 753 A HN 0.869 nan 8.150 nan 0.000 0.453 754 L N -1.304 119.967 121.223 0.079 0.000 2.599 754 L HA 0.052 4.393 4.340 0.001 0.000 0.230 754 L C 0.506 177.388 176.870 0.019 0.000 1.141 754 L CA 0.294 55.142 54.840 0.012 0.000 0.877 754 L CB -0.152 41.912 42.059 0.009 0.000 1.009 754 L HN 0.263 nan 8.230 nan 0.000 0.447 755 K N -0.053 120.389 120.400 0.070 0.000 2.185 755 K HA 0.327 4.647 4.320 0.001 0.000 0.240 755 K C -0.029 176.571 176.600 -0.001 0.000 0.983 755 K CA -0.776 55.556 56.287 0.075 0.000 0.873 755 K CB 1.097 33.661 32.500 0.106 0.000 1.118 755 K HN -0.058 nan 8.250 nan 0.000 0.441 756 N N 0.603 119.296 118.700 -0.011 0.000 2.735 756 N HA -0.220 4.521 4.740 0.001 0.000 0.248 756 N C -1.329 173.520 175.510 -1.102 0.000 1.083 756 N CA 0.198 52.892 53.050 -0.594 0.000 0.703 756 N CB -1.259 37.129 38.487 -0.165 0.000 1.005 756 N HN 0.517 nan 8.380 nan 0.000 0.550 757 N N 0.885 119.243 118.700 -0.570 0.000 2.558 757 N HA 0.469 5.210 4.740 0.001 0.000 0.233 757 N C -0.806 174.583 175.510 -0.201 0.000 1.038 757 N CA -0.356 52.465 53.050 -0.383 0.000 0.934 757 N CB 0.369 38.763 38.487 -0.157 0.000 1.175 757 N HN 0.297 nan 8.380 nan 0.000 0.512 758 F N -2.285 117.644 119.950 -0.036 0.000 2.831 758 F HA 0.515 5.043 4.527 0.001 0.000 0.318 758 F C -0.449 175.275 175.800 -0.126 0.000 1.174 758 F CA -1.385 56.576 58.000 -0.066 0.000 0.918 758 F CB 0.910 39.801 39.000 -0.182 0.000 1.364 758 F HN -0.144 nan 8.300 nan 0.000 0.475 759 T N 1.574 116.262 114.554 0.224 0.000 2.817 759 T HA 0.708 5.059 4.350 0.001 0.000 0.293 759 T C -0.197 174.572 174.700 0.116 0.000 0.964 759 T CA 0.379 62.553 62.100 0.124 0.000 1.085 759 T CB 0.895 69.843 68.868 0.134 0.000 0.921 759 T HN 1.015 nan 8.240 nan 0.000 0.502 760 A N 3.163 126.073 122.820 0.148 0.000 2.438 760 A HA 0.718 5.038 4.320 0.001 0.000 0.301 760 A C -2.035 175.684 177.584 0.224 0.000 1.101 760 A CA -0.843 51.278 52.037 0.140 0.000 0.621 760 A CB 0.749 19.668 19.000 -0.135 0.000 1.350 760 A HN 0.662 nan 8.150 nan 0.000 0.496 761 L N 1.088 122.492 121.223 0.302 0.000 2.346 761 L HA 0.702 5.043 4.340 0.001 0.000 0.274 761 L C 0.295 177.309 176.870 0.240 0.000 1.007 761 L CA -0.606 54.322 54.840 0.147 0.000 0.818 761 L CB 2.252 44.269 42.059 -0.070 0.000 1.284 761 L HN 0.997 nan 8.230 nan 0.000 0.424 762 T N -1.694 112.933 114.554 0.121 0.000 2.940 762 T HA 0.725 5.076 4.350 0.001 0.000 0.288 762 T C -0.312 174.294 174.700 -0.157 0.000 1.033 762 T CA -0.643 61.448 62.100 -0.015 0.000 1.033 762 T CB 2.499 71.331 68.868 -0.061 0.000 1.079 762 T HN 0.637 nan 8.240 nan 0.000 0.496 763 T N -0.322 114.025 114.554 -0.346 0.000 2.711 763 T HA 0.467 4.818 4.350 0.001 0.000 0.302 763 T C -1.913 172.466 174.700 -0.535 0.000 1.373 763 T CA -0.725 60.960 62.100 -0.692 0.000 1.000 763 T CB 1.833 70.377 68.868 -0.540 0.000 1.483 763 T HN 0.780 nan 8.240 nan 0.000 0.499 764 E N 0.836 120.705 120.200 -0.552 0.000 2.238 764 E HA 0.542 4.892 4.350 0.001 0.000 0.267 764 E C -1.316 175.162 176.600 -0.202 0.000 0.887 764 E CA -0.772 55.456 56.400 -0.286 0.000 0.769 764 E CB 2.071 31.687 29.700 -0.140 0.000 1.187 764 E HN 0.413 nan 8.360 nan 0.000 0.416 765 S N 2.183 117.796 115.700 -0.144 0.000 2.442 765 S HA 0.351 4.822 4.470 0.001 0.000 0.297 765 S C -0.827 173.755 174.600 -0.030 0.000 1.131 765 S CA -0.648 57.520 58.200 -0.053 0.000 1.092 765 S CB 0.373 63.567 63.200 -0.010 0.000 0.998 765 S HN 0.438 nan 8.310 nan 0.000 0.478 766 N N 4.947 123.647 118.700 0.001 0.000 2.491 766 N HA 0.490 5.231 4.740 0.001 0.000 0.274 766 N C -2.789 172.731 175.510 0.017 0.000 1.023 766 N CA -1.686 51.361 53.050 -0.006 0.000 0.902 766 N CB 1.944 40.425 38.487 -0.011 0.000 1.267 766 N HN 0.361 nan 8.380 nan 0.000 0.503 767 P HA -0.017 nan 4.420 nan 0.000 0.267 767 P C 1.417 178.680 177.300 -0.061 0.000 1.200 767 P CA -0.253 62.842 63.100 -0.008 0.000 0.772 767 P CB 0.506 32.158 31.700 -0.080 0.000 0.855 768 W N 3.520 124.797 121.300 -0.039 0.000 2.331 768 W HA -0.206 4.455 4.660 0.001 0.000 0.291 768 W C 1.079 177.443 176.519 -0.259 0.000 1.214 768 W CA 2.068 59.333 57.345 -0.134 0.000 1.228 768 W CB -2.715 26.677 29.460 -0.113 0.000 1.135 768 W HN 0.363 nan 8.180 nan 0.000 0.537 769 T N 0.021 113.811 114.554 -1.273 0.000 2.746 769 T HA -0.214 4.137 4.350 0.001 0.000 0.267 769 T C 2.030 176.390 174.700 -0.567 0.000 1.039 769 T CA 1.973 63.354 62.100 -1.198 0.000 1.142 769 T CB -0.881 67.362 68.868 -1.042 0.000 0.866 769 T HN 0.276 nan 8.240 nan 0.000 0.444 770 I N 0.607 120.952 120.570 -0.374 0.000 2.353 770 I HA 0.004 4.175 4.170 0.001 0.000 0.248 770 I C 2.554 178.578 176.117 -0.154 0.000 1.119 770 I CA 0.975 62.144 61.300 -0.218 0.000 1.417 770 I CB -0.367 37.541 38.000 -0.152 0.000 1.078 770 I HN 0.212 nan 8.210 nan 0.000 0.421 771 I N 1.059 121.550 120.570 -0.131 0.000 2.163 771 I HA -0.347 3.823 4.170 0.001 0.000 0.243 771 I C 2.702 178.800 176.117 -0.031 0.000 1.085 771 I CA 1.573 62.853 61.300 -0.034 0.000 1.347 771 I CB -0.394 37.640 38.000 0.057 0.000 1.044 771 I HN 0.225 nan 8.210 nan 0.000 0.408 772 K N 1.418 121.721 120.400 -0.163 0.000 2.026 772 K HA -0.194 4.126 4.320 0.001 0.000 0.208 772 K C 2.242 178.808 176.600 -0.058 0.000 1.048 772 K CA 1.524 57.742 56.287 -0.115 0.000 0.929 772 K CB -0.166 32.119 32.500 -0.359 0.000 0.713 772 K HN 0.264 nan 8.250 nan 0.000 0.439 773 A N 0.913 123.656 122.820 -0.128 0.000 1.917 773 A HA -0.159 4.161 4.320 0.001 0.000 0.219 773 A C 2.261 179.818 177.584 -0.045 0.000 1.182 773 A CA 1.999 53.981 52.037 -0.093 0.000 0.633 773 A CB -0.770 18.154 19.000 -0.127 0.000 0.819 773 A HN 0.211 nan 8.150 nan 0.000 0.448 774 V N -0.048 119.844 119.914 -0.037 0.000 2.270 774 V HA -0.252 3.869 4.120 0.001 0.000 0.245 774 V C 2.367 178.469 176.094 0.014 0.000 1.043 774 V CA 2.276 64.568 62.300 -0.013 0.000 1.014 774 V CB -0.692 31.125 31.823 -0.011 0.000 0.645 774 V HN 0.552 nan 8.190 nan 0.000 0.447 775 K N -0.258 120.167 120.400 0.042 0.000 2.218 775 K HA -0.208 4.113 4.320 0.001 0.000 0.205 775 K C 1.892 178.525 176.600 0.056 0.000 1.046 775 K CA 1.526 57.853 56.287 0.067 0.000 0.933 775 K CB -0.088 32.489 32.500 0.128 0.000 0.728 775 K HN 0.640 nan 8.250 nan 0.000 0.454 776 E N -1.238 118.989 120.200 0.044 0.000 2.025 776 E HA 0.016 4.367 4.350 0.001 0.000 0.198 776 E C 1.668 178.278 176.600 0.017 0.000 0.955 776 E CA 0.936 57.357 56.400 0.035 0.000 0.862 776 E CB 0.122 29.838 29.700 0.027 0.000 0.837 776 E HN 0.344 nan 8.360 nan 0.000 0.488 777 G N -0.370 108.432 108.800 0.003 0.000 3.962 777 G HA2 0.012 3.972 3.960 0.001 0.000 0.147 777 G HA3 0.012 3.972 3.960 0.001 0.000 0.147 777 G C -0.271 174.620 174.900 -0.014 0.000 1.294 777 G CA -0.036 45.062 45.100 -0.003 0.000 1.011 777 G HN 0.143 nan 8.290 nan 0.000 0.432 778 V N 2.581 122.483 119.914 -0.020 0.000 4.952 778 V HA -0.224 3.897 4.120 0.001 0.000 0.297 778 V C 1.499 177.575 176.094 -0.030 0.000 1.173 778 V CA 1.823 64.105 62.300 -0.030 0.000 1.236 778 V CB -0.449 31.347 31.823 -0.045 0.000 1.123 778 V HN 0.817 nan 8.190 nan 0.000 0.416 779 E N 3.571 123.755 120.200 -0.027 0.000 2.112 779 E HA -0.171 4.180 4.350 0.001 0.000 0.190 779 E C 1.779 178.360 176.600 -0.031 0.000 0.979 779 E CA 1.210 57.595 56.400 -0.025 0.000 0.814 779 E CB 0.243 29.931 29.700 -0.021 0.000 0.762 779 E HN 0.838 nan 8.360 nan 0.000 0.460 780 N N 0.575 119.254 118.700 -0.035 0.000 2.048 780 N HA -0.153 4.588 4.740 0.001 0.000 0.193 780 N C 1.451 176.931 175.510 -0.049 0.000 1.061 780 N CA 2.738 55.764 53.050 -0.040 0.000 0.849 780 N CB -0.062 38.400 38.487 -0.041 0.000 1.044 780 N HN 0.292 nan 8.380 nan 0.000 0.429 781 I N -1.515 119.020 120.570 -0.059 0.000 3.765 781 I HA -0.432 3.739 4.170 0.001 0.000 0.162 781 I C 1.341 177.412 176.117 -0.076 0.000 0.353 781 I CA 1.411 62.666 61.300 -0.074 0.000 1.248 781 I CB -1.154 36.803 38.000 -0.071 0.000 1.086 781 I HN 0.371 nan 8.210 nan 0.000 0.235 782 E N 1.900 122.062 120.200 -0.063 0.000 2.106 782 E HA -0.160 4.190 4.350 0.001 0.000 0.192 782 E C 0.887 177.448 176.600 -0.066 0.000 0.984 782 E CA 2.177 58.541 56.400 -0.061 0.000 0.806 782 E CB 0.008 29.678 29.700 -0.050 0.000 0.750 782 E HN 0.626 nan 8.360 nan 0.000 0.458 783 D N 0.155 120.516 120.400 -0.065 0.000 2.670 783 D HA 0.184 4.825 4.640 0.001 0.000 0.255 783 D C -0.128 176.126 176.300 -0.078 0.000 1.286 783 D CA -0.165 53.794 54.000 -0.067 0.000 0.830 783 D CB -0.054 40.713 40.800 -0.056 0.000 1.065 783 D HN 0.380 nan 8.370 nan 0.000 0.486 784 I N -1.771 118.743 120.570 -0.093 0.000 2.892 784 I HA 0.191 4.362 4.170 0.001 0.000 0.287 784 I C 0.437 176.483 176.117 -0.119 0.000 1.205 784 I CA -0.308 60.926 61.300 -0.110 0.000 1.409 784 I CB 0.807 38.723 38.000 -0.139 0.000 1.367 784 I HN -0.296 nan 8.210 nan 0.000 0.597 785 E N 3.989 124.118 120.200 -0.119 0.000 1.999 785 E HA 0.205 4.556 4.350 0.001 0.000 0.296 785 E C -0.965 175.541 176.600 -0.156 0.000 1.187 785 E CA 0.057 56.384 56.400 -0.121 0.000 1.229 785 E CB -0.321 29.320 29.700 -0.098 0.000 1.131 785 E HN 0.723 nan 8.360 nan 0.000 0.478 786 S N -1.355 114.244 115.700 -0.168 0.000 2.558 786 S HA 0.275 4.745 4.470 0.001 0.000 0.277 786 S C 0.394 174.898 174.600 -0.161 0.000 1.143 786 S CA -0.465 57.619 58.200 -0.194 0.000 0.865 786 S CB 1.104 64.145 63.200 -0.264 0.000 1.102 786 S HN 0.097 nan 8.310 nan 0.000 0.454 787 S N -0.232 115.380 115.700 -0.145 0.000 2.535 787 S HA 0.246 4.717 4.470 0.001 0.000 0.214 787 S C 0.123 174.679 174.600 -0.074 0.000 0.980 787 S CA -0.333 57.803 58.200 -0.107 0.000 0.907 787 S CB -0.402 62.736 63.200 -0.103 0.000 0.790 787 S HN 0.767 nan 8.310 nan 0.000 0.510 788 E N 1.532 121.688 120.200 -0.074 0.000 2.283 788 E HA 0.629 4.980 4.350 0.001 0.000 0.271 788 E C -0.110 176.447 176.600 -0.073 0.000 1.031 788 E CA -0.673 55.700 56.400 -0.045 0.000 0.868 788 E CB 1.295 30.988 29.700 -0.012 0.000 1.094 788 E HN 0.567 nan 8.360 nan 0.000 0.401 789 I N -2.691 117.848 120.570 -0.052 0.000 3.206 789 I HA 0.476 4.647 4.170 0.001 0.000 0.313 789 I C -0.350 175.735 176.117 -0.054 0.000 1.103 789 I CA -1.107 60.157 61.300 -0.061 0.000 0.985 789 I CB 2.037 40.005 38.000 -0.053 0.000 1.240 789 I HN 0.170 nan 8.210 nan 0.000 0.464 790 T N 2.028 116.547 114.554 -0.059 0.000 2.851 790 T HA 0.278 4.628 4.350 0.001 0.000 0.298 790 T C -0.357 174.303 174.700 -0.067 0.000 0.977 790 T CA -0.041 62.024 62.100 -0.057 0.000 1.126 790 T CB 0.204 69.039 68.868 -0.054 0.000 0.916 790 T HN 0.540 nan 8.240 nan 0.000 0.529 791 E N 1.312 121.461 120.200 -0.085 0.000 2.288 791 E HA 0.370 4.720 4.350 0.001 0.000 0.268 791 E C -0.678 175.812 176.600 -0.184 0.000 0.885 791 E CA -0.830 55.494 56.400 -0.126 0.000 0.767 791 E CB 1.681 31.297 29.700 -0.140 0.000 1.220 791 E HN 0.407 nan 8.360 nan 0.000 0.427 792 T N 3.078 117.503 114.554 -0.215 0.000 2.771 792 T HA 0.467 4.818 4.350 0.001 0.000 0.291 792 T C 0.154 174.597 174.700 -0.428 0.000 0.954 792 T CA -0.303 61.628 62.100 -0.282 0.000 1.045 792 T CB -0.071 68.641 68.868 -0.261 0.000 0.917 792 T HN 0.367 nan 8.240 nan 0.000 0.484 793 I N -1.301 118.970 120.570 -0.498 0.000 3.322 793 I HA 0.743 4.913 4.170 0.001 0.000 0.313 793 I C -1.155 174.587 176.117 -0.625 0.000 1.129 793 I CA -1.724 59.200 61.300 -0.627 0.000 0.963 793 I CB 1.658 39.286 38.000 -0.621 0.000 1.273 793 I HN 0.341 nan 8.210 nan 0.000 0.473 794 F N 1.751 121.609 119.950 -0.153 0.000 2.404 794 F HA 0.662 5.190 4.527 0.001 0.000 0.339 794 F C 0.999 176.763 175.800 -0.060 0.000 1.105 794 F CA -0.548 57.432 58.000 -0.032 0.000 1.087 794 F CB 1.671 40.720 39.000 0.082 0.000 1.143 794 F HN 0.614 nan 8.300 nan 0.000 0.491 795 A N 2.113 125.019 122.820 0.143 0.000 2.483 795 A HA 0.421 4.742 4.320 0.001 0.000 0.238 795 A C 1.249 178.855 177.584 0.036 0.000 1.070 795 A CA 0.534 52.566 52.037 -0.008 0.000 0.770 795 A CB -0.587 18.400 19.000 -0.022 0.000 1.008 795 A HN 1.538 nan 8.150 nan 0.000 0.497 796 G N 0.609 109.348 108.800 -0.100 0.000 2.176 796 G HA2 -0.146 3.815 3.960 0.001 0.000 0.253 796 G HA3 -0.146 3.815 3.960 0.001 0.000 0.253 796 G C 0.485 175.404 174.900 0.032 0.000 0.979 796 G CA 1.216 46.329 45.100 0.022 0.000 0.641 796 G HN 2.246 nan 8.290 nan 0.000 0.530 797 T N -1.531 112.882 114.554 -0.235 0.000 2.888 797 T HA 0.801 5.152 4.350 0.001 0.000 0.284 797 T C -0.627 173.724 174.700 -0.582 0.000 1.017 797 T CA -0.851 61.212 62.100 -0.063 0.000 1.022 797 T CB 2.262 71.256 68.868 0.210 0.000 1.013 797 T HN 0.566 nan 8.240 nan 0.000 0.465 798 F N 0.274 120.213 119.950 -0.018 0.000 2.591 798 F HA 0.698 5.225 4.527 0.001 0.000 0.309 798 F C 0.450 176.063 175.800 -0.312 0.000 1.098 798 F CA -1.203 56.594 58.000 -0.338 0.000 0.937 798 F CB 1.779 40.253 39.000 -0.877 0.000 1.250 798 F HN 0.986 nan 8.300 nan 0.000 0.447 799 A N 2.280 124.865 122.820 -0.392 0.000 2.327 799 A HA 0.518 4.839 4.320 0.001 0.000 0.255 799 A C -0.033 177.620 177.584 0.115 0.000 1.099 799 A CA -0.542 51.271 52.037 -0.374 0.000 0.801 799 A CB 0.383 19.074 19.000 -0.515 0.000 1.062 799 A HN 0.774 nan 8.150 nan 0.000 0.496 800 K N -0.409 120.071 120.400 0.132 0.000 2.126 800 K HA 0.134 4.455 4.320 0.001 0.000 0.257 800 K C 1.049 177.668 176.600 0.032 0.000 1.007 800 K CA -0.235 56.132 56.287 0.133 0.000 0.928 800 K CB 0.789 33.365 32.500 0.126 0.000 1.013 800 K HN 0.767 nan 8.250 nan 0.000 0.473 801 Q N 1.320 121.135 119.800 0.025 0.000 2.077 801 Q HA -0.182 4.159 4.340 0.001 0.000 0.206 801 Q C -0.378 175.614 176.000 -0.014 0.000 0.989 801 Q CA 1.853 57.641 55.803 -0.024 0.000 0.853 801 Q CB 0.157 28.899 28.738 0.007 0.000 0.907 801 Q HN 0.453 nan 8.270 nan 0.000 0.418 802 D N 1.922 122.337 120.400 0.024 0.000 2.485 802 D HA 0.086 4.727 4.640 0.001 0.000 0.221 802 D C -0.899 175.430 176.300 0.050 0.000 1.112 802 D CA -0.257 53.770 54.000 0.046 0.000 0.911 802 D CB 0.334 41.168 40.800 0.056 0.000 1.019 802 D HN 0.276 nan 8.370 nan 0.000 0.516 803 D N 1.613 122.027 120.400 0.024 0.000 2.563 803 D HA -0.122 4.519 4.640 0.001 0.000 0.229 803 D C 0.565 176.910 176.300 0.076 0.000 1.159 803 D CA 0.535 54.553 54.000 0.031 0.000 0.869 803 D CB 0.756 41.553 40.800 -0.007 0.000 1.203 803 D HN 0.367 nan 8.370 nan 0.000 0.478 804 D N -0.333 120.132 120.400 0.108 0.000 2.594 804 D HA 0.012 4.652 4.640 0.001 0.000 0.256 804 D C 0.341 176.652 176.300 0.020 0.000 1.393 804 D CA 0.483 54.562 54.000 0.132 0.000 0.797 804 D CB -0.659 40.292 40.800 0.251 0.000 1.110 804 D HN 0.344 nan 8.370 nan 0.000 0.495 805 S N -1.282 114.388 115.700 -0.050 0.000 3.228 805 S HA -0.257 4.213 4.470 0.001 0.000 0.282 805 S C -0.431 173.958 174.600 -0.353 0.000 1.286 805 S CA 1.010 59.093 58.200 -0.196 0.000 1.066 805 S CB -2.873 60.157 63.200 -0.284 0.000 1.277 805 S HN 0.715 nan 8.310 nan 0.000 0.661 806 H N -1.022 118.122 119.070 0.124 0.000 2.747 806 H HA 0.750 5.306 4.556 0.001 0.000 0.371 806 H C -0.761 174.535 175.328 -0.054 0.000 1.161 806 H CA -0.672 55.393 56.048 0.029 0.000 1.167 806 H CB 0.866 30.555 29.762 -0.122 0.000 1.732 806 H HN 0.309 nan 8.280 nan 0.000 0.544 807 Y N 0.843 121.049 120.300 -0.157 0.000 2.446 807 Y HA 0.379 4.930 4.550 0.001 0.000 0.338 807 Y C -0.923 174.751 175.900 -0.376 0.000 1.055 807 Y CA -0.591 57.444 58.100 -0.110 0.000 1.101 807 Y CB 1.267 39.722 38.460 -0.008 0.000 1.221 807 Y HN 0.519 nan 8.280 nan 0.000 0.460 808 Y N 2.169 122.658 120.300 0.314 0.000 2.512 808 Y HA 0.469 5.020 4.550 0.001 0.000 0.348 808 Y C -0.406 175.724 175.900 0.385 0.000 0.990 808 Y CA -1.243 57.042 58.100 0.309 0.000 1.033 808 Y CB 1.315 39.943 38.460 0.280 0.000 1.259 808 Y HN 0.335 nan 8.280 nan 0.000 0.461 809 I N 3.603 124.451 120.570 0.463 0.000 2.556 809 I HA 0.076 4.247 4.170 0.001 0.000 0.284 809 I C 0.012 176.420 176.117 0.485 0.000 1.114 809 I CA 0.317 61.868 61.300 0.418 0.000 1.418 809 I CB 0.189 38.379 38.000 0.316 0.000 1.394 809 I HN 0.549 nan 8.210 nan 0.000 0.552 810 H N 6.653 125.891 119.070 0.279 0.000 2.492 810 H HA 0.579 5.135 4.556 0.001 0.000 0.345 810 H C -0.599 174.791 175.328 0.103 0.000 1.136 810 H CA -0.960 55.176 56.048 0.147 0.000 1.202 810 H CB 1.637 31.396 29.762 -0.004 0.000 1.524 810 H HN 0.502 nan 8.280 nan 0.000 0.506 811 R N 1.136 121.703 120.500 0.112 0.000 2.854 811 R HA 0.303 4.644 4.340 0.001 0.000 0.271 811 R C -0.337 175.979 176.300 0.027 0.000 0.994 811 R CA -0.999 55.127 56.100 0.043 0.000 0.945 811 R CB 1.772 32.110 30.300 0.063 0.000 1.194 811 R HN 0.587 nan 8.270 nan 0.000 0.476 812 H N 0.137 119.287 119.070 0.134 0.000 2.548 812 H HA 0.125 4.682 4.556 0.001 0.000 0.366 812 H C 1.091 176.454 175.328 0.059 0.000 1.433 812 H CA 0.347 56.451 56.048 0.093 0.000 1.443 812 H CB 0.918 30.691 29.762 0.019 0.000 1.594 812 H HN 0.824 nan 8.280 nan 0.000 0.608 813 A N 1.177 124.112 122.820 0.192 0.000 2.024 813 A HA -0.243 4.078 4.320 0.001 0.000 0.220 813 A C 1.733 179.367 177.584 0.083 0.000 1.164 813 A CA 1.800 53.898 52.037 0.101 0.000 0.643 813 A CB -0.762 18.279 19.000 0.070 0.000 0.806 813 A HN 0.819 nan 8.150 nan 0.000 0.451 814 N N -1.648 117.112 118.700 0.100 0.000 2.461 814 N HA 0.282 5.023 4.740 0.001 0.000 0.188 814 N C 1.038 176.593 175.510 0.075 0.000 1.134 814 N CA 1.350 54.442 53.050 0.070 0.000 0.878 814 N CB -0.100 38.418 38.487 0.051 0.000 0.972 814 N HN 0.672 nan 8.380 nan 0.000 0.456 815 G N -0.656 108.199 108.800 0.092 0.000 2.241 815 G HA2 -0.324 3.637 3.960 0.001 0.000 0.244 815 G HA3 -0.324 3.637 3.960 0.001 0.000 0.244 815 G C -0.065 174.887 174.900 0.088 0.000 0.998 815 G CA 0.195 45.342 45.100 0.078 0.000 0.621 815 G HN 0.474 nan 8.290 nan 0.000 0.519 816 K N 2.302 122.768 120.400 0.110 0.000 2.295 816 K HA 0.382 4.703 4.320 0.001 0.000 0.270 816 K C -2.074 174.558 176.600 0.053 0.000 1.011 816 K CA -1.091 55.258 56.287 0.103 0.000 0.953 816 K CB 0.832 33.418 32.500 0.144 0.000 0.956 816 K HN 0.176 nan 8.250 nan 0.000 0.477 817 P HA -0.114 nan 4.420 nan 0.000 0.271 817 P C -1.100 176.144 177.300 -0.094 0.000 1.216 817 P CA 0.234 63.261 63.100 -0.121 0.000 0.776 817 P CB 0.306 31.677 31.700 -0.547 0.000 0.881 818 Y N 2.705 122.901 120.300 -0.173 0.000 2.568 818 Y HA 0.331 4.882 4.550 0.001 0.000 0.338 818 Y C 0.245 176.183 175.900 0.063 0.000 1.245 818 Y CA -0.518 57.464 58.100 -0.197 0.000 1.667 818 Y CB -0.314 38.038 38.460 -0.180 0.000 1.568 818 Y HN 0.412 nan 8.280 nan 0.000 0.471 819 A N 4.309 127.218 122.820 0.149 0.000 2.274 819 A HA 0.848 5.169 4.320 0.001 0.000 0.309 819 A C -0.731 176.962 177.584 0.182 0.000 1.226 819 A CA 0.058 52.181 52.037 0.142 0.000 0.853 819 A CB 0.257 19.290 19.000 0.056 0.000 1.146 819 A HN 0.795 nan 8.150 nan 0.000 0.518 820 A N 2.547 125.488 122.820 0.202 0.000 2.547 820 A HA 0.730 5.051 4.320 0.001 0.000 0.297 820 A C -0.616 177.013 177.584 0.075 0.000 1.056 820 A CA -0.398 51.749 52.037 0.184 0.000 0.688 820 A CB 0.868 20.068 19.000 0.334 0.000 1.282 820 A HN 1.639 nan 8.150 nan 0.000 0.400 821 I N -1.153 119.426 120.570 0.015 0.000 2.892 821 I HA 0.852 5.023 4.170 0.001 0.000 0.306 821 I C -0.277 175.802 176.117 -0.063 0.000 1.078 821 I CA -0.824 60.429 61.300 -0.077 0.000 1.032 821 I CB 2.735 40.611 38.000 -0.207 0.000 1.229 821 I HN 0.497 nan 8.210 nan 0.000 0.435 822 S N 2.231 117.885 115.700 -0.076 0.000 2.252 822 S HA 0.426 4.896 4.470 0.001 0.000 0.187 822 S C -2.570 171.975 174.600 -0.091 0.000 1.587 822 S CA -1.208 56.960 58.200 -0.053 0.000 1.215 822 S CB 0.361 63.559 63.200 -0.003 0.000 1.085 822 S HN 0.603 nan 8.310 nan 0.000 0.466 823 P HA 0.164 nan 4.420 nan 0.000 0.252 823 P C -0.590 176.650 177.300 -0.100 0.000 1.694 823 P CA -0.090 62.910 63.100 -0.168 0.000 1.163 823 P CB -0.655 30.873 31.700 -0.286 0.000 1.934 824 N N 0.879 119.543 118.700 -0.060 0.000 2.291 824 N HA 0.179 4.920 4.740 0.001 0.000 0.244 824 N C 1.197 176.697 175.510 -0.017 0.000 1.216 824 N CA -0.379 52.653 53.050 -0.030 0.000 0.879 824 N CB -0.398 38.083 38.487 -0.010 0.000 1.167 824 N HN 0.274 nan 8.380 nan 0.000 0.515 825 G N 1.410 110.194 108.800 -0.027 0.000 2.186 825 G HA2 -0.388 3.573 3.960 0.001 0.000 0.266 825 G HA3 -0.388 3.573 3.960 0.001 0.000 0.266 825 G C 0.467 175.368 174.900 0.003 0.000 0.982 825 G CA 0.864 45.956 45.100 -0.013 0.000 0.670 825 G HN 0.662 nan 8.290 nan 0.000 0.533 826 D N -0.600 119.806 120.400 0.011 0.000 2.340 826 D HA 0.353 4.994 4.640 0.001 0.000 0.220 826 D C 1.877 178.188 176.300 0.018 0.000 1.039 826 D CA 0.727 54.743 54.000 0.026 0.000 0.866 826 D CB -0.621 40.211 40.800 0.053 0.000 0.913 826 D HN 1.509 nan 8.370 nan 0.000 0.523 827 G N 0.409 109.216 108.800 0.011 0.000 2.179 827 G HA2 -0.335 3.626 3.960 0.001 0.000 0.260 827 G HA3 -0.335 3.626 3.960 0.001 0.000 0.260 827 G C 0.123 175.017 174.900 -0.011 0.000 0.977 827 G CA 0.140 45.246 45.100 0.011 0.000 0.641 827 G HN 0.598 nan 8.290 nan 0.000 0.533 828 N N 0.448 119.144 118.700 -0.007 0.000 2.500 828 N HA 0.510 5.250 4.740 0.001 0.000 0.236 828 N C 0.938 176.418 175.510 -0.049 0.000 1.022 828 N CA -0.427 52.616 53.050 -0.012 0.000 0.935 828 N CB -0.081 38.431 38.487 0.042 0.000 1.147 828 N HN 0.372 nan 8.380 nan 0.000 0.512 829 R N 1.613 122.035 120.500 -0.130 0.000 3.422 829 R HA -0.178 4.162 4.340 0.001 0.000 0.267 829 R C -0.511 175.674 176.300 -0.191 0.000 1.074 829 R CA 0.611 56.593 56.100 -0.196 0.000 0.718 829 R CB -1.226 29.008 30.300 -0.110 0.000 1.157 829 R HN 0.639 nan 8.270 nan 0.000 0.440 830 D N -0.606 119.683 120.400 -0.184 0.000 2.249 830 D HA -0.003 4.638 4.640 0.001 0.000 0.205 830 D C 0.682 176.893 176.300 -0.148 0.000 0.962 830 D CA 1.554 55.481 54.000 -0.122 0.000 0.860 830 D CB 0.106 40.898 40.800 -0.013 0.000 0.955 830 D HN 0.566 nan 8.370 nan 0.000 0.505 831 Y N -1.449 118.723 120.300 -0.214 0.000 2.677 831 Y HA 0.569 5.119 4.550 0.001 0.000 0.334 831 Y C -1.008 174.774 175.900 -0.197 0.000 1.154 831 Y CA -1.728 56.217 58.100 -0.257 0.000 1.070 831 Y CB 0.984 39.320 38.460 -0.207 0.000 1.294 831 Y HN -0.236 nan 8.280 nan 0.000 0.475 832 V N -0.422 119.513 119.914 0.035 0.000 2.823 832 V HA 0.717 4.838 4.120 0.001 0.000 0.312 832 V C -1.120 175.063 176.094 0.147 0.000 1.072 832 V CA -0.776 61.479 62.300 -0.076 0.000 0.937 832 V CB 1.609 33.249 31.823 -0.306 0.000 1.013 832 V HN 1.040 nan 8.190 nan 0.000 0.430 833 Q N 2.207 122.111 119.800 0.172 0.000 2.331 833 Q HA 0.520 4.861 4.340 0.001 0.000 0.272 833 Q C -1.874 174.317 176.000 0.318 0.000 1.062 833 Q CA -0.757 55.229 55.803 0.305 0.000 0.806 833 Q CB 2.807 31.744 28.738 0.333 0.000 1.312 833 Q HN 0.876 nan 8.270 nan 0.000 0.431 834 F N 2.822 122.976 119.950 0.341 0.000 2.443 834 F HA 0.243 4.771 4.527 0.001 0.000 0.353 834 F C -0.533 175.512 175.800 0.408 0.000 1.101 834 F CA 0.312 58.527 58.000 0.359 0.000 1.226 834 F CB 0.888 40.164 39.000 0.460 0.000 1.140 834 F HN 0.495 nan 8.300 nan 0.000 0.557 835 Q N 4.531 124.085 119.800 -0.410 0.000 2.321 835 Q HA 0.626 4.967 4.340 0.001 0.000 0.270 835 Q C -1.168 174.395 176.000 -0.729 0.000 1.032 835 Q CA -0.829 54.761 55.803 -0.355 0.000 0.784 835 Q CB 1.832 30.538 28.738 -0.053 0.000 1.264 835 Q HN 0.989 nan 8.270 nan 0.000 0.448 836 G N 1.221 109.761 108.800 -0.433 0.000 2.563 836 G HA2 0.511 4.472 3.960 0.001 0.000 0.302 836 G HA3 0.511 4.472 3.960 0.001 0.000 0.302 836 G C -1.169 173.781 174.900 0.083 0.000 1.301 836 G CA -0.404 44.536 45.100 -0.267 0.000 0.965 836 G HN 0.441 nan 8.290 nan 0.000 0.480 837 T N 1.919 116.482 114.554 0.014 0.000 2.853 837 T HA 0.374 4.725 4.350 0.001 0.000 0.317 837 T C -0.780 173.961 174.700 0.068 0.000 1.059 837 T CA -0.025 62.170 62.100 0.159 0.000 0.954 837 T CB -0.144 68.849 68.868 0.209 0.000 0.994 837 T HN 0.242 nan 8.240 nan 0.000 0.479 838 F N 2.862 122.916 119.950 0.173 0.000 2.420 838 F HA 0.326 4.853 4.527 0.001 0.000 0.352 838 F C 1.324 177.224 175.800 0.168 0.000 1.108 838 F CA -0.815 57.253 58.000 0.113 0.000 1.162 838 F CB 0.880 39.942 39.000 0.103 0.000 1.118 838 F HN 0.448 nan 8.300 nan 0.000 0.510 839 L N 2.927 124.212 121.223 0.102 0.000 2.375 839 L HA 0.202 4.543 4.340 0.001 0.000 0.215 839 L C 0.629 177.470 176.870 -0.049 0.000 1.108 839 L CA 0.625 55.363 54.840 -0.171 0.000 0.830 839 L CB -0.219 41.518 42.059 -0.537 0.000 0.959 839 L HN 0.494 nan 8.230 nan 0.000 0.457 840 R N -0.682 119.876 120.500 0.096 0.000 2.808 840 R HA 0.343 4.684 4.340 0.001 0.000 0.272 840 R C -0.739 175.617 176.300 0.093 0.000 0.995 840 R CA -1.016 55.121 56.100 0.062 0.000 0.917 840 R CB 1.129 31.409 30.300 -0.033 0.000 1.217 840 R HN -0.105 nan 8.270 nan 0.000 0.471 841 N N 0.277 118.957 118.700 -0.032 0.000 2.453 841 N HA 0.382 5.123 4.740 0.001 0.000 0.253 841 N C -0.745 174.730 175.510 -0.057 0.000 1.252 841 N CA 0.403 53.386 53.050 -0.111 0.000 0.917 841 N CB 1.411 39.743 38.487 -0.257 0.000 1.117 841 N HN 0.648 nan 8.380 nan 0.000 0.442 842 A N 0.560 123.313 122.820 -0.111 0.000 2.583 842 A HA 0.706 5.026 4.320 0.001 0.000 0.289 842 A C -1.101 176.435 177.584 -0.080 0.000 1.151 842 A CA -0.706 51.300 52.037 -0.051 0.000 0.695 842 A CB 1.634 20.643 19.000 0.015 0.000 1.290 842 A HN 0.688 nan 8.150 nan 0.000 0.419 843 K N -0.519 119.866 120.400 -0.025 0.000 2.509 843 K HA 0.641 4.961 4.320 0.001 0.000 0.266 843 K C -0.675 175.917 176.600 -0.014 0.000 0.987 843 K CA -0.517 55.752 56.287 -0.031 0.000 0.868 843 K CB 1.193 33.681 32.500 -0.020 0.000 1.421 843 K HN 0.749 nan 8.250 nan 0.000 0.444 844 N N 0.268 118.953 118.700 -0.024 0.000 2.696 844 N HA -0.220 4.520 4.740 0.001 0.000 0.256 844 N C -1.008 174.490 175.510 -0.021 0.000 1.031 844 N CA 0.297 53.331 53.050 -0.026 0.000 0.730 844 N CB -1.003 37.466 38.487 -0.030 0.000 0.894 844 N HN 0.501 nan 8.380 nan 0.000 0.544 845 L N 0.649 121.853 121.223 -0.030 0.000 2.360 845 L HA 0.597 4.938 4.340 0.001 0.000 0.276 845 L C -0.218 176.624 176.870 -0.047 0.000 1.121 845 L CA -0.052 54.774 54.840 -0.024 0.000 0.845 845 L CB 1.318 43.288 42.059 -0.148 0.000 1.143 845 L HN 0.041 nan 8.230 nan 0.000 0.452 846 V N 5.324 125.201 119.914 -0.062 0.000 2.888 846 V HA 0.907 5.028 4.120 0.001 0.000 0.309 846 V C -0.688 175.314 176.094 -0.154 0.000 1.114 846 V CA 0.053 62.289 62.300 -0.107 0.000 0.940 846 V CB 1.993 33.734 31.823 -0.137 0.000 1.021 846 V HN 1.149 nan 8.190 nan 0.000 0.426 847 A N 5.134 127.846 122.820 -0.179 0.000 2.325 847 A HA 0.965 5.285 4.320 0.001 0.000 0.333 847 A C -0.506 176.880 177.584 -0.331 0.000 1.155 847 A CA -0.320 51.573 52.037 -0.240 0.000 0.814 847 A CB 1.175 20.135 19.000 -0.067 0.000 1.206 847 A HN 1.130 nan 8.150 nan 0.000 0.482 848 E N 0.253 120.291 120.200 -0.271 0.000 2.413 848 E HA 0.650 5.001 4.350 0.001 0.000 0.277 848 E C -1.871 174.679 176.600 -0.083 0.000 0.958 848 E CA -0.873 55.400 56.400 -0.211 0.000 0.779 848 E CB 1.901 31.467 29.700 -0.223 0.000 1.278 848 E HN 0.306 nan 8.360 nan 0.000 0.456 849 V N 2.031 121.939 119.914 -0.009 0.000 2.495 849 V HA 0.410 4.530 4.120 0.001 0.000 0.298 849 V C -0.891 175.189 176.094 -0.023 0.000 1.031 849 V CA -0.732 61.480 62.300 -0.147 0.000 0.871 849 V CB 1.225 32.653 31.823 -0.659 0.000 0.988 849 V HN 0.526 nan 8.190 nan 0.000 0.432 850 L N 4.690 125.932 121.223 0.031 0.000 2.341 850 L HA 0.576 4.916 4.340 0.001 0.000 0.278 850 L C 0.035 176.973 176.870 0.114 0.000 1.005 850 L CA -0.455 54.422 54.840 0.063 0.000 0.818 850 L CB 1.661 43.725 42.059 0.009 0.000 1.259 850 L HN 0.788 nan 8.230 nan 0.000 0.418 851 D N 1.176 121.631 120.400 0.091 0.000 2.414 851 D HA 0.136 4.776 4.640 0.001 0.000 0.259 851 D C 0.778 177.004 176.300 -0.124 0.000 1.269 851 D CA -0.345 53.604 54.000 -0.086 0.000 1.028 851 D CB 0.740 41.517 40.800 -0.038 0.000 1.093 851 D HN 0.367 nan 8.370 nan 0.000 0.545 852 K N -0.756 119.527 120.400 -0.195 0.000 2.032 852 K HA -0.194 4.126 4.320 0.001 0.000 0.209 852 K C 1.865 178.422 176.600 -0.071 0.000 1.048 852 K CA 1.641 57.853 56.287 -0.126 0.000 0.927 852 K CB -0.157 32.264 32.500 -0.131 0.000 0.712 852 K HN 0.361 nan 8.250 nan 0.000 0.441 853 E N -0.912 119.255 120.200 -0.056 0.000 2.058 853 E HA -0.138 4.213 4.350 0.001 0.000 0.194 853 E C 1.295 177.877 176.600 -0.029 0.000 0.997 853 E CA 1.580 57.960 56.400 -0.034 0.000 0.801 853 E CB -0.077 29.611 29.700 -0.020 0.000 0.746 853 E HN 0.551 nan 8.360 nan 0.000 0.450 854 G N -0.809 107.975 108.800 -0.026 0.000 2.234 854 G HA2 -0.154 3.807 3.960 0.001 0.000 0.153 854 G HA3 -0.154 3.807 3.960 0.001 0.000 0.153 854 G C -0.318 174.571 174.900 -0.018 0.000 1.013 854 G CA -0.370 44.715 45.100 -0.025 0.000 0.712 854 G HN 0.083 nan 8.290 nan 0.000 0.491 855 N N 0.588 119.287 118.700 -0.002 0.000 2.529 855 N HA 0.392 5.132 4.740 0.001 0.000 0.278 855 N C 0.231 175.754 175.510 0.021 0.000 1.146 855 N CA -0.105 52.950 53.050 0.008 0.000 0.980 855 N CB 2.180 40.681 38.487 0.023 0.000 1.124 855 N HN 0.018 nan 8.380 nan 0.000 0.458 856 V N 2.610 122.527 119.914 0.005 0.000 2.405 856 V HA 0.010 4.131 4.120 0.001 0.000 0.264 856 V C 1.602 177.723 176.094 0.044 0.000 1.048 856 V CA -0.269 62.033 62.300 0.003 0.000 0.966 856 V CB 0.746 32.543 31.823 -0.043 0.000 1.015 856 V HN 0.593 nan 8.190 nan 0.000 0.477 857 V N 1.927 121.899 119.914 0.097 0.000 3.590 857 V HA 0.355 4.475 4.120 0.001 0.000 0.265 857 V C 0.094 176.329 176.094 0.235 0.000 1.239 857 V CA 0.080 62.474 62.300 0.157 0.000 1.117 857 V CB -0.321 31.629 31.823 0.212 0.000 0.818 857 V HN 0.756 nan 8.190 nan 0.000 0.451 858 W N -0.335 120.931 121.300 -0.056 0.000 3.363 858 W HA 0.671 5.332 4.660 0.001 0.000 0.306 858 W C -1.595 174.870 176.519 -0.090 0.000 1.253 858 W CA -0.153 57.163 57.345 -0.050 0.000 1.195 858 W CB 1.591 31.015 29.460 -0.060 0.000 1.366 858 W HN -0.178 nan 8.180 nan 0.000 0.551 859 T N 3.522 117.446 114.554 -1.050 0.000 2.928 859 T HA 0.404 4.754 4.350 0.001 0.000 0.296 859 T C -0.081 173.762 174.700 -1.428 0.000 1.000 859 T CA -0.562 60.913 62.100 -1.041 0.000 0.989 859 T CB 1.320 69.895 68.868 -0.488 0.000 1.005 859 T HN 0.504 nan 8.240 nan 0.000 0.442 860 S N 2.735 117.613 115.700 -1.371 0.000 2.634 860 S HA 0.408 4.879 4.470 0.001 0.000 0.261 860 S C 0.126 174.536 174.600 -0.316 0.000 1.271 860 S CA -0.775 56.985 58.200 -0.733 0.000 0.985 860 S CB 0.432 63.472 63.200 -0.267 0.000 0.968 860 S HN 0.663 nan 8.310 nan 0.000 0.568 861 E N -0.311 119.828 120.200 -0.101 0.000 2.374 861 E HA 0.384 4.735 4.350 0.001 0.000 0.260 861 E C -0.316 176.259 176.600 -0.042 0.000 1.101 861 E CA -0.632 55.736 56.400 -0.053 0.000 0.907 861 E CB 1.084 30.793 29.700 0.016 0.000 1.014 861 E HN 0.514 nan 8.360 nan 0.000 0.427 862 V N 1.109 121.001 119.914 -0.038 0.000 2.539 862 V HA 0.275 4.396 4.120 0.001 0.000 0.292 862 V C -0.449 175.650 176.094 0.009 0.000 1.045 862 V CA -0.289 61.994 62.300 -0.028 0.000 0.945 862 V CB 1.784 33.578 31.823 -0.048 0.000 0.993 862 V HN 0.612 nan 8.190 nan 0.000 0.464 863 T N 5.701 120.266 114.554 0.020 0.000 2.811 863 T HA 0.245 4.595 4.350 0.001 0.000 0.309 863 T C 0.764 175.470 174.700 0.010 0.000 1.005 863 T CA -0.049 62.080 62.100 0.048 0.000 0.955 863 T CB 1.010 69.935 68.868 0.095 0.000 0.970 863 T HN 0.918 nan 8.240 nan 0.000 0.496 864 E N 2.699 122.906 120.200 0.012 0.000 2.048 864 E HA -0.136 4.215 4.350 0.001 0.000 0.202 864 E C 0.665 177.259 176.600 -0.010 0.000 1.021 864 E CA 1.660 58.059 56.400 -0.001 0.000 0.825 864 E CB 0.158 29.861 29.700 0.006 0.000 0.756 864 E HN 0.650 nan 8.360 nan 0.000 0.454 865 Q N -0.714 119.085 119.800 -0.002 0.000 2.365 865 Q HA 0.540 4.880 4.340 0.001 0.000 0.269 865 Q C -1.495 174.486 176.000 -0.031 0.000 1.061 865 Q CA -0.651 55.141 55.803 -0.019 0.000 0.816 865 Q CB 3.058 31.796 28.738 0.001 0.000 1.325 865 Q HN -0.088 nan 8.270 nan 0.000 0.446 866 V N 2.605 122.452 119.914 -0.113 0.000 2.487 866 V HA 0.370 4.490 4.120 0.001 0.000 0.298 866 V C -0.537 175.461 176.094 -0.161 0.000 1.028 866 V CA -0.720 61.460 62.300 -0.199 0.000 0.860 866 V CB 1.920 33.371 31.823 -0.620 0.000 0.991 866 V HN 0.519 nan 8.190 nan 0.000 0.427 867 V N 6.018 125.902 119.914 -0.050 0.000 2.394 867 V HA 0.339 4.459 4.120 0.001 0.000 0.282 867 V C 0.471 176.609 176.094 0.072 0.000 1.031 867 V CA -1.003 61.306 62.300 0.014 0.000 0.881 867 V CB 1.502 33.404 31.823 0.131 0.000 0.982 867 V HN 0.980 nan 8.190 nan 0.000 0.451 868 K N 3.712 124.176 120.400 0.108 0.000 2.440 868 K HA 0.109 4.430 4.320 0.001 0.000 0.270 868 K C -0.101 176.687 176.600 0.314 0.000 0.980 868 K CA -0.127 56.337 56.287 0.295 0.000 0.953 868 K CB 0.400 33.124 32.500 0.374 0.000 0.925 868 K HN 0.560 nan 8.250 nan 0.000 0.497 869 N N 2.880 121.774 118.700 0.324 0.000 3.188 869 N HA 0.003 4.743 4.740 0.001 0.000 0.279 869 N C -0.124 175.327 175.510 -0.097 0.000 1.213 869 N CA -0.126 52.976 53.050 0.088 0.000 1.138 869 N CB -0.020 38.588 38.487 0.202 0.000 1.417 869 N HN 0.639 nan 8.380 nan 0.000 0.526 870 Y N -1.099 119.053 120.300 -0.246 0.000 2.632 870 Y HA 0.243 4.793 4.550 0.001 0.000 0.301 870 Y C 0.364 175.987 175.900 -0.462 0.000 1.172 870 Y CA -0.275 57.337 58.100 -0.814 0.000 1.328 870 Y CB -0.074 38.210 38.460 -0.293 0.000 1.016 870 Y HN 0.129 nan 8.280 nan 0.000 0.529 871 N N 0.209 118.608 118.700 -0.502 0.000 3.179 871 N HA 0.163 4.904 4.740 0.001 0.000 0.250 871 N C -2.167 173.001 175.510 -0.569 0.000 1.507 871 N CA -0.695 52.173 53.050 -0.302 0.000 0.883 871 N CB 1.371 39.702 38.487 -0.261 0.000 1.435 871 N HN 0.105 nan 8.380 nan 0.000 0.532 872 N N 0.994 119.408 118.700 -0.476 0.000 2.750 872 N HA 0.286 5.027 4.740 0.001 0.000 0.253 872 N C -2.192 173.169 175.510 -0.249 0.000 1.408 872 N CA -0.294 52.444 53.050 -0.519 0.000 0.780 872 N CB 0.278 38.372 38.487 -0.656 0.000 1.191 872 N HN 0.457 nan 8.380 nan 0.000 0.511 873 D N 2.211 122.486 120.400 -0.208 0.000 2.947 873 D HA 0.163 4.804 4.640 0.001 0.000 0.224 873 D C 0.775 177.016 176.300 -0.100 0.000 1.230 873 D CA -0.410 53.524 54.000 -0.111 0.000 0.871 873 D CB 1.808 42.571 40.800 -0.061 0.000 1.671 873 D HN 0.201 nan 8.370 nan 0.000 0.507 874 L N 2.220 123.404 121.223 -0.064 0.000 2.261 874 L HA -0.142 4.199 4.340 0.001 0.000 0.216 874 L C 2.243 179.086 176.870 -0.045 0.000 1.114 874 L CA 1.433 56.242 54.840 -0.052 0.000 0.777 874 L CB -0.143 41.895 42.059 -0.035 0.000 0.910 874 L HN 0.468 nan 8.230 nan 0.000 0.440 875 A N -1.218 121.582 122.820 -0.034 0.000 2.132 875 A HA -0.030 4.290 4.320 0.001 0.000 0.213 875 A C 2.177 179.754 177.584 -0.011 0.000 1.154 875 A CA 1.156 53.182 52.037 -0.018 0.000 0.753 875 A CB -0.027 18.971 19.000 -0.002 0.000 0.826 875 A HN 0.495 nan 8.150 nan 0.000 0.469 876 S N -2.732 112.949 115.700 -0.032 0.000 3.226 876 S HA 0.383 4.854 4.470 0.001 0.000 0.195 876 S C 0.502 175.037 174.600 -0.108 0.000 0.793 876 S CA 0.694 58.884 58.200 -0.017 0.000 0.816 876 S CB 0.140 63.355 63.200 0.026 0.000 0.847 876 S HN 0.426 nan 8.310 nan 0.000 0.630 877 T N 0.836 115.234 114.554 -0.260 0.000 2.982 877 T HA 0.589 4.940 4.350 0.001 0.000 0.321 877 T C -1.338 173.165 174.700 -0.329 0.000 1.229 877 T CA -0.777 61.136 62.100 -0.312 0.000 1.044 877 T CB 0.970 69.542 68.868 -0.494 0.000 1.184 877 T HN 0.382 nan 8.240 nan 0.000 0.477 878 L N 2.782 123.852 121.223 -0.255 0.000 2.466 878 L HA 0.424 4.765 4.340 0.001 0.000 0.257 878 L C 2.073 178.730 176.870 -0.356 0.000 1.189 878 L CA -0.214 54.465 54.840 -0.269 0.000 0.813 878 L CB 0.450 42.397 42.059 -0.187 0.000 1.118 878 L HN 0.944 nan 8.230 nan 0.000 0.471 879 G N -0.026 108.486 108.800 -0.481 0.000 2.625 879 G HA2 -0.044 3.917 3.960 0.001 0.000 0.214 879 G HA3 -0.044 3.917 3.960 0.001 0.000 0.214 879 G C 0.445 175.269 174.900 -0.127 0.000 1.132 879 G CA 0.815 45.528 45.100 -0.645 0.000 0.782 879 G HN 0.636 nan 8.290 nan 0.000 0.538 880 S N -2.089 113.539 115.700 -0.120 0.000 2.625 880 S HA 0.705 5.176 4.470 0.001 0.000 0.271 880 S C -1.093 173.440 174.600 -0.112 0.000 1.161 880 S CA -0.671 57.505 58.200 -0.040 0.000 0.820 880 S CB 2.235 65.388 63.200 -0.077 0.000 1.137 880 S HN -0.002 nan 8.310 nan 0.000 0.470 881 T N 1.340 115.815 114.554 -0.131 0.000 2.916 881 T HA 0.573 4.923 4.350 0.001 0.000 0.298 881 T C -0.984 173.369 174.700 -0.579 0.000 1.031 881 T CA -0.745 61.117 62.100 -0.398 0.000 0.993 881 T CB 1.371 69.897 68.868 -0.569 0.000 1.045 881 T HN 0.629 nan 8.240 nan 0.000 0.454 882 R N 1.538 121.713 120.500 -0.542 0.000 2.294 882 R HA 0.457 4.798 4.340 0.001 0.000 0.319 882 R C -1.076 174.953 176.300 -0.452 0.000 0.984 882 R CA -0.533 55.354 56.100 -0.354 0.000 0.861 882 R CB 0.800 30.984 30.300 -0.193 0.000 1.104 882 R HN 0.474 nan 8.270 nan 0.000 0.451 883 F N 2.011 122.019 119.950 0.098 0.000 2.313 883 F HA 0.219 4.747 4.527 0.001 0.000 0.369 883 F C 1.346 177.245 175.800 0.164 0.000 1.109 883 F CA -0.550 57.547 58.000 0.161 0.000 1.132 883 F CB 1.142 40.320 39.000 0.297 0.000 1.291 883 F HN 0.541 nan 8.300 nan 0.000 0.496 884 E N 2.031 122.343 120.200 0.186 0.000 2.153 884 E HA -0.191 4.160 4.350 0.001 0.000 0.194 884 E C 1.572 178.283 176.600 0.184 0.000 0.988 884 E CA 1.083 57.559 56.400 0.127 0.000 0.811 884 E CB 0.056 29.777 29.700 0.035 0.000 0.746 884 E HN 0.602 nan 8.360 nan 0.000 0.466 885 K N 0.231 120.766 120.400 0.224 0.000 2.362 885 K HA -0.082 4.238 4.320 0.001 0.000 0.200 885 K C 2.096 178.879 176.600 0.305 0.000 1.046 885 K CA 1.448 57.867 56.287 0.219 0.000 0.952 885 K CB -0.041 32.564 32.500 0.174 0.000 0.753 885 K HN 0.196 nan 8.250 nan 0.000 0.466 886 T N -1.689 113.101 114.554 0.393 0.000 3.129 886 T HA 0.011 4.361 4.350 0.001 0.000 0.251 886 T C 0.735 175.834 174.700 0.664 0.000 1.117 886 T CA -0.316 62.094 62.100 0.517 0.000 1.034 886 T CB -0.013 69.198 68.868 0.572 0.000 0.968 886 T HN 0.038 nan 8.240 nan 0.000 0.526 887 R N 0.689 121.463 120.500 0.457 0.000 2.484 887 R HA 0.158 4.499 4.340 0.001 0.000 0.293 887 R C -1.167 175.335 176.300 0.336 0.000 1.023 887 R CA -0.512 55.779 56.100 0.319 0.000 1.037 887 R CB 0.055 30.358 30.300 0.005 0.000 0.951 887 R HN 0.518 nan 8.270 nan 0.000 0.418 888 W N 6.846 128.126 121.300 -0.033 0.000 2.361 888 W HA 0.218 4.879 4.660 0.001 0.000 0.314 888 W C -0.551 175.783 176.519 -0.309 0.000 1.041 888 W CA -1.503 55.539 57.345 -0.505 0.000 1.241 888 W CB 1.086 30.200 29.460 -0.577 0.000 1.279 888 W HN 0.688 nan 8.180 nan 0.000 0.436 889 D N 2.910 122.933 120.400 -0.628 0.000 2.352 889 D HA 0.195 4.836 4.640 0.001 0.000 0.236 889 D C 1.608 177.360 176.300 -0.914 0.000 1.148 889 D CA 0.253 53.913 54.000 -0.565 0.000 0.844 889 D CB -0.211 40.415 40.800 -0.290 0.000 0.933 889 D HN 0.755 nan 8.370 nan 0.000 0.507 890 G N -0.072 107.543 108.800 -1.976 0.000 2.148 890 G HA2 -0.320 3.640 3.960 0.001 0.000 0.254 890 G HA3 -0.320 3.640 3.960 0.001 0.000 0.254 890 G C 0.150 174.647 174.900 -0.672 0.000 0.981 890 G CA 0.266 44.328 45.100 -1.731 0.000 0.670 890 G HN 0.490 nan 8.290 nan 0.000 0.528 891 K N 0.591 120.750 120.400 -0.401 0.000 2.123 891 K HA 0.540 4.860 4.320 0.001 0.000 0.248 891 K C 0.001 176.736 176.600 0.225 0.000 0.969 891 K CA -0.365 55.900 56.287 -0.036 0.000 0.882 891 K CB 1.061 33.537 32.500 -0.040 0.000 1.080 891 K HN 0.328 nan 8.250 nan 0.000 0.441 892 D N -0.032 120.510 120.400 0.237 0.000 2.466 892 D HA 0.072 4.712 4.640 0.001 0.000 0.262 892 D C -0.664 175.865 176.300 0.383 0.000 1.177 892 D CA -0.759 53.440 54.000 0.331 0.000 1.035 892 D CB 0.361 41.300 40.800 0.232 0.000 1.105 892 D HN 0.316 nan 8.370 nan 0.000 0.551 893 K N -0.050 120.562 120.400 0.353 0.000 2.524 893 K HA -0.016 4.304 4.320 0.001 0.000 0.279 893 K C -0.285 176.427 176.600 0.186 0.000 0.993 893 K CA -0.001 56.438 56.287 0.253 0.000 1.030 893 K CB -0.158 32.414 32.500 0.121 0.000 0.891 893 K HN 0.600 nan 8.250 nan 0.000 0.488 894 D N 1.349 121.847 120.400 0.163 0.000 3.350 894 D HA -0.225 4.415 4.640 0.001 0.000 0.192 894 D C 0.168 176.533 176.300 0.108 0.000 1.258 894 D CA 1.286 55.356 54.000 0.117 0.000 0.762 894 D CB -1.061 39.786 40.800 0.078 0.000 0.888 894 D HN 0.888 nan 8.370 nan 0.000 0.415 895 G N -0.577 108.293 108.800 0.116 0.000 2.474 895 G HA2 0.671 4.632 3.960 0.001 0.000 0.234 895 G HA3 0.671 4.632 3.960 0.001 0.000 0.234 895 G C -0.909 174.038 174.900 0.078 0.000 1.204 895 G CA 0.084 45.240 45.100 0.094 0.000 0.939 895 G HN 0.689 nan 8.290 nan 0.000 0.491 896 K N -0.684 119.757 120.400 0.069 0.000 2.354 896 K HA 0.870 5.191 4.320 0.001 0.000 0.238 896 K C 0.381 177.000 176.600 0.032 0.000 1.068 896 K CA -0.042 56.270 56.287 0.042 0.000 0.925 896 K CB 0.439 nan 32.500 nan 0.000 1.286 896 K HN 1.323 nan 8.250 nan 0.000 0.500 897 V N 1.138 121.050 119.914 -0.004 0.000 2.720 897 V HA 0.062 4.183 4.120 0.001 0.000 0.307 897 V C 1.026 177.123 176.094 0.005 0.000 1.071 897 V CA -0.376 61.900 62.300 -0.040 0.000 1.199 897 V CB 0.924 32.715 31.823 -0.053 0.000 0.900 897 V HN 0.556 nan 8.190 nan 0.000 0.494 898 V N 5.041 124.948 119.914 -0.012 0.000 3.003 898 V HA 0.607 4.728 4.120 0.001 0.000 0.305 898 V C 0.862 177.013 176.094 0.094 0.000 1.078 898 V CA 0.039 62.374 62.300 0.058 0.000 1.083 898 V CB 1.559 33.367 31.823 -0.025 0.000 1.039 898 V HN 1.179 nan 8.190 nan 0.000 0.481 899 A N 4.731 127.673 122.820 0.204 0.000 2.386 899 A HA 0.343 4.664 4.320 0.001 0.000 0.248 899 A C 0.326 178.074 177.584 0.272 0.000 1.082 899 A CA -0.434 51.721 52.037 0.197 0.000 0.789 899 A CB -0.182 18.926 19.000 0.179 0.000 1.025 899 A HN 0.924 nan 8.150 nan 0.000 0.490 900 N N 0.171 118.981 118.700 0.183 0.000 2.407 900 N HA 0.450 5.190 4.740 0.001 0.000 0.250 900 N C 0.443 176.085 175.510 0.220 0.000 1.236 900 N CA 1.508 54.673 53.050 0.192 0.000 0.879 900 N CB 0.771 39.327 38.487 0.116 0.000 1.088 900 N HN 1.195 nan 8.380 nan 0.000 0.450 901 G N -0.288 108.662 108.800 0.250 0.000 2.359 901 G HA2 0.080 4.041 3.960 0.001 0.000 0.293 901 G HA3 0.080 4.041 3.960 0.001 0.000 0.293 901 G C -1.365 173.622 174.900 0.145 0.000 1.300 901 G CA -0.838 44.330 45.100 0.113 0.000 0.888 901 G HN 0.440 nan 8.290 nan 0.000 0.541 902 T N 0.646 115.168 114.554 -0.054 0.000 2.837 902 T HA 0.690 5.040 4.350 0.001 0.000 0.285 902 T C -1.049 173.557 174.700 -0.157 0.000 0.984 902 T CA 0.276 62.383 62.100 0.011 0.000 1.049 902 T CB 0.830 69.672 68.868 -0.043 0.000 0.947 902 T HN 0.398 nan 8.240 nan 0.000 0.472 903 Y N 0.168 120.541 120.300 0.121 0.000 2.633 903 Y HA 0.494 5.045 4.550 0.001 0.000 0.339 903 Y C 0.568 176.532 175.900 0.107 0.000 1.045 903 Y CA -1.147 57.018 58.100 0.109 0.000 1.098 903 Y CB 1.802 40.350 38.460 0.147 0.000 1.296 903 Y HN 0.425 nan 8.280 nan 0.000 0.494 904 T N 1.591 116.281 114.554 0.226 0.000 2.788 904 T HA 0.162 4.513 4.350 0.001 0.000 0.296 904 T C -1.468 173.349 174.700 0.196 0.000 1.009 904 T CA -0.427 61.785 62.100 0.188 0.000 0.949 904 T CB -0.372 68.557 68.868 0.101 0.000 0.946 904 T HN 0.404 nan 8.240 nan 0.000 0.453 905 Y N 4.576 124.973 120.300 0.162 0.000 2.504 905 Y HA 0.415 4.966 4.550 0.001 0.000 0.351 905 Y C 0.464 176.519 175.900 0.259 0.000 0.988 905 Y CA -1.018 57.174 58.100 0.154 0.000 1.239 905 Y CB 0.230 38.829 38.460 0.232 0.000 1.128 905 Y HN 0.484 nan 8.280 nan 0.000 0.525 906 R N 5.329 125.744 120.500 -0.143 0.000 2.338 906 R HA 0.645 4.985 4.340 0.001 0.000 0.317 906 R C -1.894 174.261 176.300 -0.243 0.000 0.968 906 R CA -0.639 55.406 56.100 -0.091 0.000 0.849 906 R CB 0.972 31.234 30.300 -0.063 0.000 1.128 906 R HN 0.538 nan 8.270 nan 0.000 0.448 907 V N 5.648 125.490 119.914 -0.119 0.000 2.370 907 V HA 0.461 4.582 4.120 0.001 0.000 0.283 907 V C -0.007 176.051 176.094 -0.059 0.000 1.023 907 V CA -0.696 61.488 62.300 -0.192 0.000 0.857 907 V CB 1.335 32.915 31.823 -0.406 0.000 0.985 907 V HN 0.784 nan 8.190 nan 0.000 0.443 908 R N 4.296 124.737 120.500 -0.098 0.000 2.589 908 R HA 0.784 5.124 4.340 0.001 0.000 0.293 908 R C -1.451 174.800 176.300 -0.082 0.000 0.963 908 R CA -0.622 55.359 56.100 -0.199 0.000 0.905 908 R CB 1.981 32.171 30.300 -0.184 0.000 1.144 908 R HN 0.813 nan 8.270 nan 0.000 0.459 909 Y N -2.393 117.895 120.300 -0.020 0.000 2.592 909 Y HA 0.499 5.049 4.550 0.001 0.000 0.334 909 Y C -1.173 174.736 175.900 0.015 0.000 1.136 909 Y CA -1.198 56.905 58.100 0.004 0.000 1.042 909 Y CB 1.436 39.963 38.460 0.111 0.000 1.325 909 Y HN 0.309 nan 8.280 nan 0.000 0.457 910 T N 3.384 118.005 114.554 0.112 0.000 2.824 910 T HA 0.512 4.863 4.350 0.001 0.000 0.282 910 T C -2.928 171.821 174.700 0.083 0.000 0.993 910 T CA -1.678 60.453 62.100 0.052 0.000 0.967 910 T CB 1.785 70.651 68.868 -0.003 0.000 0.960 910 T HN 0.333 nan 8.240 nan 0.000 0.441 911 P HA 0.128 nan 4.420 nan 0.000 0.269 911 P C 0.899 178.208 177.300 0.016 0.000 1.215 911 P CA -0.491 62.636 63.100 0.045 0.000 0.780 911 P CB 0.339 32.044 31.700 0.009 0.000 0.898 912 I N -1.887 118.685 120.570 0.003 0.000 3.111 912 I HA 0.044 4.215 4.170 0.001 0.000 0.272 912 I C 0.463 176.591 176.117 0.018 0.000 1.268 912 I CA 0.563 61.865 61.300 0.002 0.000 1.467 912 I CB -1.289 36.704 38.000 -0.012 0.000 1.087 912 I HN -0.025 nan 8.210 nan 0.000 0.467 913 S N 1.550 117.269 115.700 0.032 0.000 2.558 913 S HA 0.007 4.478 4.470 0.001 0.000 0.291 913 S C 0.530 175.154 174.600 0.040 0.000 1.306 913 S CA -0.041 58.195 58.200 0.061 0.000 1.056 913 S CB 0.100 63.356 63.200 0.093 0.000 0.836 913 S HN 0.550 nan 8.310 nan 0.000 0.504 914 S N 2.055 117.781 115.700 0.043 0.000 2.544 914 S HA 0.365 4.836 4.470 0.001 0.000 0.290 914 S C 1.491 176.108 174.600 0.028 0.000 1.276 914 S CA 0.560 58.778 58.200 0.031 0.000 1.075 914 S CB -0.534 62.687 63.200 0.034 0.000 0.849 914 S HN 1.385 nan 8.310 nan 0.000 0.494 915 G N 2.994 111.804 108.800 0.016 0.000 2.184 915 G HA2 -0.200 3.760 3.960 0.001 0.000 0.264 915 G HA3 -0.200 3.760 3.960 0.001 0.000 0.264 915 G C 0.336 175.239 174.900 0.006 0.000 0.975 915 G CA 0.204 45.311 45.100 0.011 0.000 0.642 915 G HN 1.519 nan 8.290 nan 0.000 0.536 916 A N 0.246 123.070 122.820 0.007 0.000 2.540 916 A HA 0.502 4.823 4.320 0.001 0.000 0.239 916 A C 0.805 178.380 177.584 -0.014 0.000 1.061 916 A CA 0.743 52.779 52.037 -0.003 0.000 0.758 916 A CB 0.277 19.275 19.000 -0.003 0.000 0.991 916 A HN 0.483 nan 8.150 nan 0.000 0.502 917 K N 1.258 121.646 120.400 -0.020 0.000 2.202 917 K HA 0.146 4.467 4.320 0.001 0.000 0.264 917 K C 0.339 176.910 176.600 -0.047 0.000 1.010 917 K CA -0.233 56.035 56.287 -0.032 0.000 0.940 917 K CB 0.804 33.287 32.500 -0.029 0.000 0.983 917 K HN 0.865 nan 8.250 nan 0.000 0.475 918 E N 2.050 122.210 120.200 -0.067 0.000 2.373 918 E HA -0.051 4.300 4.350 0.001 0.000 0.267 918 E C -0.743 175.774 176.600 -0.139 0.000 1.032 918 E CA 0.102 56.437 56.400 -0.109 0.000 0.889 918 E CB 0.718 30.345 29.700 -0.121 0.000 0.984 918 E HN 0.299 nan 8.360 nan 0.000 0.425 919 Q N 2.172 121.804 119.800 -0.280 0.000 2.297 919 Q HA 0.372 4.713 4.340 0.001 0.000 0.269 919 Q C -0.775 174.830 176.000 -0.659 0.000 1.051 919 Q CA -0.937 54.643 55.803 -0.373 0.000 0.869 919 Q CB 1.799 30.345 28.738 -0.319 0.000 1.346 919 Q HN 0.631 nan 8.270 nan 0.000 0.457 920 H N -1.815 116.918 119.070 -0.563 0.000 3.042 920 H HA 0.526 5.083 4.556 0.001 0.000 0.346 920 H C -1.628 173.607 175.328 -0.155 0.000 1.294 920 H CA -0.821 54.963 56.048 -0.441 0.000 1.141 920 H CB 1.535 31.127 29.762 -0.284 0.000 1.872 920 H HN 0.524 nan 8.280 nan 0.000 0.541 921 T N 2.529 117.038 114.554 -0.075 0.000 2.881 921 T HA 0.281 4.632 4.350 0.001 0.000 0.290 921 T C -1.016 173.614 174.700 -0.118 0.000 1.000 921 T CA -0.665 61.343 62.100 -0.153 0.000 0.978 921 T CB 1.534 70.375 68.868 -0.045 0.000 0.997 921 T HN 0.459 nan 8.240 nan 0.000 0.443 922 D N 1.773 122.048 120.400 -0.208 0.000 2.185 922 D HA 0.594 5.234 4.640 0.001 0.000 0.247 922 D C -0.880 175.299 176.300 -0.203 0.000 1.027 922 D CA -0.237 53.732 54.000 -0.051 0.000 0.861 922 D CB 1.199 42.025 40.800 0.043 0.000 1.202 922 D HN 0.308 nan 8.370 nan 0.000 0.453 923 F N 0.656 120.742 119.950 0.227 0.000 2.529 923 F HA 0.225 4.753 4.527 0.001 0.000 0.320 923 F C 0.323 176.251 175.800 0.212 0.000 1.118 923 F CA -1.003 57.139 58.000 0.237 0.000 0.915 923 F CB 1.547 40.747 39.000 0.334 0.000 1.161 923 F HN -0.057 nan 8.300 nan 0.000 0.445 924 D N 3.154 123.739 120.400 0.308 0.000 2.325 924 D HA 0.347 4.988 4.640 0.001 0.000 0.251 924 D C -0.544 175.904 176.300 0.245 0.000 1.196 924 D CA 0.200 54.339 54.000 0.232 0.000 0.866 924 D CB 1.917 42.799 40.800 0.136 0.000 1.101 924 D HN 0.129 nan 8.370 nan 0.000 0.476 925 V N 4.216 124.303 119.914 0.288 0.000 2.448 925 V HA 0.352 4.473 4.120 0.001 0.000 0.295 925 V C 0.542 176.821 176.094 0.309 0.000 1.025 925 V CA -0.811 61.661 62.300 0.286 0.000 0.859 925 V CB 1.801 33.840 31.823 0.360 0.000 0.988 925 V HN 0.372 nan 8.190 nan 0.000 0.431 926 I N 4.804 125.504 120.570 0.216 0.000 2.365 926 I HA 0.375 4.546 4.170 0.001 0.000 0.291 926 I C -0.328 175.912 176.117 0.205 0.000 1.004 926 I CA -0.358 61.065 61.300 0.205 0.000 1.311 926 I CB 1.660 39.725 38.000 0.109 0.000 1.401 926 I HN 0.296 nan 8.210 nan 0.000 0.491 927 V N 5.577 125.641 119.914 0.249 0.000 2.513 927 V HA 0.498 4.618 4.120 0.001 0.000 0.299 927 V C -0.480 175.689 176.094 0.126 0.000 1.035 927 V CA -0.372 62.002 62.300 0.125 0.000 0.889 927 V CB 1.839 33.706 31.823 0.072 0.000 0.988 927 V HN 0.682 nan 8.190 nan 0.000 0.440 928 D N 3.066 123.506 120.400 0.067 0.000 2.484 928 D HA 0.179 4.819 4.640 0.001 0.000 0.206 928 D C -0.550 175.774 176.300 0.041 0.000 1.322 928 D CA -0.341 53.702 54.000 0.073 0.000 0.913 928 D CB 1.366 42.225 40.800 0.099 0.000 1.559 928 D HN 0.398 nan 8.370 nan 0.000 0.565 929 N N 1.524 120.242 118.700 0.030 0.000 2.251 929 N HA 0.074 4.815 4.740 0.001 0.000 0.217 929 N C -0.444 175.081 175.510 0.025 0.000 1.124 929 N CA 0.099 53.158 53.050 0.017 0.000 0.843 929 N CB 0.758 39.246 38.487 0.001 0.000 1.024 929 N HN 0.311 nan 8.380 nan 0.000 0.501 930 T N 1.212 115.788 114.554 0.036 0.000 2.769 930 T HA 0.088 4.438 4.350 0.001 0.000 0.293 930 T C 0.565 175.282 174.700 0.028 0.000 0.931 930 T CA 0.236 62.356 62.100 0.033 0.000 1.139 930 T CB 0.576 69.468 68.868 0.040 0.000 0.881 930 T HN 0.002 nan 8.240 nan 0.000 0.532 931 T N 7.114 121.678 114.554 0.018 0.000 2.916 931 T HA 0.190 4.541 4.350 0.001 0.000 0.303 931 T C -2.010 172.693 174.700 0.006 0.000 1.025 931 T CA -0.843 61.262 62.100 0.008 0.000 1.142 931 T CB 0.308 69.173 68.868 -0.005 0.000 0.947 931 T HN 0.321 nan 8.240 nan 0.000 0.544 932 P HA 0.188 nan 4.420 nan 0.000 0.271 932 P C -0.401 176.895 177.300 -0.007 0.000 1.216 932 P CA -0.281 62.818 63.100 -0.001 0.000 0.776 932 P CB 0.485 32.176 31.700 -0.016 0.000 0.881 933 E N 1.260 121.466 120.200 0.010 0.000 2.146 933 E HA 0.376 4.727 4.350 0.001 0.000 0.282 933 E C -0.229 176.392 176.600 0.034 0.000 0.989 933 E CA -0.841 55.569 56.400 0.016 0.000 0.799 933 E CB 1.114 30.828 29.700 0.023 0.000 1.088 933 E HN 0.236 nan 8.360 nan 0.000 0.397 934 V N -0.514 119.427 119.914 0.044 0.000 3.074 934 V HA 0.828 4.948 4.120 0.001 0.000 0.314 934 V C 0.129 176.292 176.094 0.115 0.000 1.117 934 V CA -1.201 61.166 62.300 0.111 0.000 1.014 934 V CB 1.504 33.412 31.823 0.142 0.000 1.057 934 V HN 0.729 nan 8.190 nan 0.000 0.438 935 A N 1.520 124.428 122.820 0.147 0.000 2.587 935 A HA 0.388 4.709 4.320 0.001 0.000 0.233 935 A C 1.273 178.887 177.584 0.050 0.000 1.049 935 A CA 0.768 52.847 52.037 0.070 0.000 0.754 935 A CB -0.149 18.861 19.000 0.017 0.000 0.977 935 A HN 1.868 nan 8.150 nan 0.000 0.509 936 T N -1.311 113.257 114.554 0.022 0.000 3.022 936 T HA 0.357 4.708 4.350 0.001 0.000 0.250 936 T C 0.560 175.247 174.700 -0.022 0.000 1.060 936 T CA 0.578 62.681 62.100 0.005 0.000 1.013 936 T CB -0.449 68.429 68.868 0.017 0.000 0.982 936 T HN 1.524 nan 8.240 nan 0.000 0.508 937 S N -0.107 115.581 115.700 -0.021 0.000 2.607 937 S HA 0.884 5.354 4.470 0.001 0.000 0.273 937 S C -1.141 173.434 174.600 -0.042 0.000 1.148 937 S CA -0.538 57.642 58.200 -0.033 0.000 0.833 937 S CB 1.889 65.082 63.200 -0.010 0.000 1.130 937 S HN 0.938 nan 8.310 nan 0.000 0.470 938 A N 0.817 123.613 122.820 -0.041 0.000 2.610 938 A HA 0.924 5.245 4.320 0.001 0.000 0.291 938 A C -0.426 177.157 177.584 -0.002 0.000 1.086 938 A CA -0.402 51.613 52.037 -0.037 0.000 0.677 938 A CB 1.110 20.063 19.000 -0.079 0.000 1.278 938 A HN 1.838 nan 8.150 nan 0.000 0.414 939 T N -1.876 112.690 114.554 0.019 0.000 2.887 939 T HA 0.734 5.084 4.350 0.001 0.000 0.288 939 T C -1.047 173.718 174.700 0.108 0.000 1.021 939 T CA -0.437 61.691 62.100 0.047 0.000 1.000 939 T CB 1.412 70.289 68.868 0.015 0.000 1.034 939 T HN 1.280 nan 8.240 nan 0.000 0.467 940 F N 1.974 121.893 119.950 -0.052 0.000 2.518 940 F HA 0.625 5.153 4.527 0.001 0.000 0.323 940 F C -0.028 175.743 175.800 -0.048 0.000 1.129 940 F CA -0.781 57.182 58.000 -0.060 0.000 0.920 940 F CB 2.114 41.072 39.000 -0.072 0.000 1.160 940 F HN 0.746 nan 8.300 nan 0.000 0.440 941 S N 4.173 119.427 115.700 -0.743 0.000 2.411 941 S HA 0.125 4.596 4.470 0.001 0.000 0.294 941 S C 1.086 175.178 174.600 -0.847 0.000 1.115 941 S CA 0.103 57.959 58.200 -0.573 0.000 1.071 941 S CB 0.958 63.927 63.200 -0.385 0.000 0.967 941 S HN 0.930 nan 8.310 nan 0.000 0.488 942 T N 3.188 117.496 114.554 -0.410 0.000 2.915 942 T HA -0.044 4.307 4.350 0.001 0.000 0.269 942 T C 1.417 176.018 174.700 -0.166 0.000 1.071 942 T CA 1.696 63.680 62.100 -0.194 0.000 1.132 942 T CB -0.241 68.638 68.868 0.018 0.000 0.878 942 T HN 0.825 nan 8.240 nan 0.000 0.479 943 E N -0.447 119.649 120.200 -0.174 0.000 2.158 943 E HA -0.071 4.280 4.350 0.001 0.000 0.191 943 E C 1.554 178.070 176.600 -0.140 0.000 0.982 943 E CA 0.900 57.228 56.400 -0.119 0.000 0.823 943 E CB 0.074 29.718 29.700 -0.094 0.000 0.766 943 E HN 0.332 nan 8.360 nan 0.000 0.468 944 D N -0.677 119.591 120.400 -0.220 0.000 2.392 944 D HA 0.035 4.675 4.640 0.001 0.000 0.206 944 D C 0.100 176.260 176.300 -0.235 0.000 1.046 944 D CA 0.149 54.028 54.000 -0.202 0.000 0.865 944 D CB 0.375 41.054 40.800 -0.203 0.000 0.969 944 D HN -0.047 nan 8.370 nan 0.000 0.509 945 R N 0.004 120.266 120.500 -0.397 0.000 3.875 945 R HA -0.193 4.148 4.340 0.001 0.000 0.321 945 R C -0.481 175.687 176.300 -0.221 0.000 1.196 945 R CA 0.454 56.385 56.100 -0.282 0.000 0.868 945 R CB -2.571 27.730 30.300 0.001 0.000 1.333 945 R HN 0.353 nan 8.270 nan 0.000 0.522 946 R N 0.287 120.534 120.500 -0.421 0.000 2.460 946 R HA 0.462 4.802 4.340 0.001 0.000 0.303 946 R C -0.084 176.165 176.300 -0.085 0.000 0.968 946 R CA -0.992 55.017 56.100 -0.152 0.000 0.889 946 R CB 1.233 31.459 30.300 -0.125 0.000 1.123 946 R HN -0.065 nan 8.270 nan 0.000 0.455 947 L N 1.974 123.292 121.223 0.159 0.000 2.275 947 L HA 0.360 4.700 4.340 0.001 0.000 0.288 947 L C -0.751 176.176 176.870 0.094 0.000 1.046 947 L CA 0.401 55.362 54.840 0.202 0.000 0.805 947 L CB 1.831 43.982 42.059 0.154 0.000 1.193 947 L HN 0.542 nan 8.230 nan 0.000 0.426 948 T N 6.375 120.954 114.554 0.042 0.000 2.772 948 T HA 0.483 4.834 4.350 0.001 0.000 0.288 948 T C 0.004 174.697 174.700 -0.011 0.000 0.994 948 T CA -0.403 61.703 62.100 0.010 0.000 0.951 948 T CB 0.528 69.388 68.868 -0.014 0.000 0.933 948 T HN 0.420 nan 8.240 nan 0.000 0.447 949 L N 2.180 123.390 121.223 -0.023 0.000 2.417 949 L HA 0.364 4.704 4.340 0.001 0.000 0.268 949 L C 1.772 178.626 176.870 -0.026 0.000 1.158 949 L CA -0.627 54.174 54.840 -0.064 0.000 0.819 949 L CB 0.455 42.458 42.059 -0.094 0.000 1.112 949 L HN 0.759 nan 8.230 nan 0.000 0.458 950 A N 1.928 124.734 122.820 -0.024 0.000 2.067 950 A HA 0.012 4.333 4.320 0.001 0.000 0.219 950 A C 0.825 178.413 177.584 0.007 0.000 1.158 950 A CA 1.290 53.324 52.037 -0.005 0.000 0.661 950 A CB -0.228 18.772 19.000 -0.000 0.000 0.801 950 A HN 0.783 nan 8.150 nan 0.000 0.452 951 S N -1.435 114.275 115.700 0.016 0.000 2.567 951 S HA 0.516 4.986 4.470 0.001 0.000 0.270 951 S C -0.913 173.720 174.600 0.056 0.000 1.152 951 S CA -0.834 57.385 58.200 0.031 0.000 0.835 951 S CB 1.107 64.327 63.200 0.033 0.000 1.115 951 S HN 0.439 nan 8.310 nan 0.000 0.459 952 K N -0.023 120.413 120.400 0.060 0.000 2.168 952 K HA 0.704 5.024 4.320 0.001 0.000 0.258 952 K C -2.976 173.684 176.600 0.101 0.000 1.010 952 K CA -1.283 55.056 56.287 0.087 0.000 0.929 952 K CB -1.195 31.343 32.500 0.062 0.000 0.998 952 K HN 0.370 nan 8.250 nan 0.000 0.479 953 P HA 0.122 nan 4.420 nan 0.000 0.271 953 P C -1.285 176.054 177.300 0.065 0.000 1.218 953 P CA -0.347 62.815 63.100 0.104 0.000 0.780 953 P CB 0.579 32.341 31.700 0.103 0.000 0.901 954 K N 1.578 122.008 120.400 0.051 0.000 2.450 954 K HA 0.532 4.852 4.320 0.001 0.000 0.257 954 K C -0.867 175.754 176.600 0.035 0.000 0.953 954 K CA -0.416 55.896 56.287 0.041 0.000 0.844 954 K CB 0.812 33.334 32.500 0.037 0.000 1.103 954 K HN 0.574 nan 8.250 nan 0.000 0.429 955 T N -0.595 113.981 114.554 0.038 0.000 2.906 955 T HA 0.227 4.578 4.350 0.001 0.000 0.295 955 T C 1.035 175.764 174.700 0.048 0.000 1.061 955 T CA -0.581 61.543 62.100 0.040 0.000 1.000 955 T CB 1.624 70.516 68.868 0.040 0.000 1.103 955 T HN 0.430 nan 8.240 nan 0.000 0.486 956 S N 1.047 116.779 115.700 0.053 0.000 2.357 956 S HA 0.006 4.477 4.470 0.001 0.000 0.221 956 S C 0.784 175.432 174.600 0.080 0.000 1.031 956 S CA 0.226 58.463 58.200 0.062 0.000 0.982 956 S CB -0.435 62.802 63.200 0.062 0.000 0.853 956 S HN 0.732 nan 8.310 nan 0.000 0.458 957 Q N 2.460 122.317 119.800 0.094 0.000 2.260 957 Q HA 0.485 4.826 4.340 0.001 0.000 0.242 957 Q C -2.520 173.530 176.000 0.082 0.000 0.932 957 Q CA -2.541 53.340 55.803 0.129 0.000 0.891 957 Q CB 0.377 29.213 28.738 0.163 0.000 1.222 957 Q HN 0.278 nan 8.270 nan 0.000 0.453 958 P HA -0.032 nan 4.420 nan 0.000 0.269 958 P C -0.261 177.030 177.300 -0.014 0.000 1.217 958 P CA -0.085 63.024 63.100 0.015 0.000 0.783 958 P CB 0.485 32.180 31.700 -0.009 0.000 0.898 959 V N 3.022 122.937 119.914 0.002 0.000 2.529 959 V HA -0.118 4.003 4.120 0.001 0.000 0.292 959 V C 1.457 177.568 176.094 0.028 0.000 1.028 959 V CA 0.385 62.697 62.300 0.020 0.000 1.074 959 V CB -0.471 31.369 31.823 0.027 0.000 0.958 959 V HN 0.576 nan 8.190 nan 0.000 0.481 960 Y N 6.708 126.936 120.300 -0.119 0.000 2.190 960 Y HA 0.309 4.860 4.550 0.001 0.000 0.290 960 Y C 1.069 176.918 175.900 -0.084 0.000 1.115 960 Y CA 0.512 58.517 58.100 -0.159 0.000 1.107 960 Y CB 0.282 38.680 38.460 -0.103 0.000 1.033 960 Y HN 0.499 nan 8.280 nan 0.000 0.502 961 R N 0.777 121.155 120.500 -0.203 0.000 2.651 961 R HA 0.344 4.684 4.340 0.001 0.000 0.278 961 R C -1.411 174.809 176.300 -0.132 0.000 1.010 961 R CA -0.684 55.252 56.100 -0.272 0.000 0.896 961 R CB 2.259 32.214 30.300 -0.575 0.000 1.211 961 R HN 0.274 nan 8.270 nan 0.000 0.456 962 E N 3.068 123.255 120.200 -0.020 0.000 2.316 962 E HA 0.487 4.838 4.350 0.001 0.000 0.254 962 E C -0.968 175.778 176.600 0.242 0.000 0.902 962 E CA -0.912 55.534 56.400 0.077 0.000 0.801 962 E CB 1.984 31.807 29.700 0.204 0.000 1.270 962 E HN 0.392 nan 8.360 nan 0.000 0.414 963 R N 1.989 122.561 120.500 0.120 0.000 2.817 963 R HA 0.564 4.904 4.340 0.001 0.000 0.268 963 R C -0.794 175.516 176.300 0.017 0.000 1.027 963 R CA -1.098 55.135 56.100 0.222 0.000 0.928 963 R CB 1.580 32.026 30.300 0.244 0.000 1.228 963 R HN 0.439 nan 8.270 nan 0.000 0.469 964 I N 1.440 122.032 120.570 0.036 0.000 2.389 964 I HA 0.472 4.643 4.170 0.001 0.000 0.288 964 I C -0.196 176.011 176.117 0.150 0.000 0.999 964 I CA -0.569 60.711 61.300 -0.034 0.000 1.129 964 I CB 1.332 39.249 38.000 -0.138 0.000 1.288 964 I HN 0.729 nan 8.210 nan 0.000 0.444 965 A N 7.322 130.172 122.820 0.051 0.000 2.337 965 A HA 0.901 5.222 4.320 0.001 0.000 0.331 965 A C -1.339 176.321 177.584 0.127 0.000 1.137 965 A CA -0.368 51.617 52.037 -0.087 0.000 0.807 965 A CB 1.477 20.338 19.000 -0.232 0.000 1.250 965 A HN 0.681 nan 8.150 nan 0.000 0.468 966 Y N -1.696 118.545 120.300 -0.098 0.000 2.552 966 Y HA 0.754 5.305 4.550 0.001 0.000 0.337 966 Y C -0.666 175.182 175.900 -0.086 0.000 1.094 966 Y CA -0.878 57.138 58.100 -0.139 0.000 1.028 966 Y CB 0.985 39.231 38.460 -0.356 0.000 1.321 966 Y HN 0.468 nan 8.280 nan 0.000 0.456 967 T N 3.662 118.228 114.554 0.020 0.000 2.863 967 T HA 0.598 4.949 4.350 0.001 0.000 0.285 967 T C -1.375 173.393 174.700 0.114 0.000 1.009 967 T CA -0.650 61.419 62.100 -0.052 0.000 0.989 967 T CB 1.062 69.862 68.868 -0.112 0.000 1.004 967 T HN 0.752 nan 8.240 nan 0.000 0.455 971 E N 1.328 121.531 120.200 0.006 0.000 2.271 971 E HA -0.083 4.267 4.350 0.001 0.000 0.223 971 E C 0.757 177.344 176.600 -0.023 0.000 1.223 971 E CA 2.181 58.578 56.400 -0.005 0.000 0.704 971 E CB -2.794 nan 29.700 nan 0.000 1.194 971 E HN 1.813 nan 8.360 nan 0.000 0.375 972 D N -2.804 117.579 120.400 -0.028 0.000 3.059 972 D HA -0.008 4.633 4.640 0.001 0.000 0.213 972 D C 0.619 176.883 176.300 -0.059 0.000 1.144 972 D CA 1.456 55.432 54.000 -0.039 0.000 0.975 972 D CB -1.771 nan 40.800 nan 0.000 1.125 972 D HN 1.747 nan 8.370 nan 0.000 0.412 973 L N 0.246 121.424 121.223 -0.074 0.000 2.276 973 L HA 0.594 4.934 4.340 0.001 0.000 0.286 973 L C -2.266 174.511 176.870 -0.156 0.000 1.024 973 L CA -2.119 52.662 54.840 -0.098 0.000 0.826 973 L CB 1.754 43.763 42.059 -0.084 0.000 1.211 973 L HN -0.010 nan 8.230 nan 0.000 0.422 974 P HA 0.257 nan 4.420 nan 0.000 0.275 974 P C -0.934 176.207 177.300 -0.265 0.000 1.227 974 P CA -0.265 62.709 63.100 -0.211 0.000 0.781 974 P CB 0.885 32.488 31.700 -0.161 0.000 0.906 975 T N 1.312 115.631 114.554 -0.392 0.000 3.011 975 T HA 0.371 4.722 4.350 0.001 0.000 0.303 975 T C -0.941 173.543 174.700 -0.359 0.000 0.997 975 T CA -0.421 61.447 62.100 -0.387 0.000 1.007 975 T CB 0.198 68.753 68.868 -0.521 0.000 1.017 975 T HN 0.144 nan 8.240 nan 0.000 0.443 976 T N 5.597 120.005 114.554 -0.244 0.000 2.733 976 T HA 0.435 4.785 4.350 0.001 0.000 0.294 976 T C -0.238 174.260 174.700 -0.337 0.000 0.956 976 T CA -0.672 61.253 62.100 -0.292 0.000 0.987 976 T CB 0.862 69.598 68.868 -0.219 0.000 0.920 976 T HN 0.519 nan 8.240 nan 0.000 0.470 977 E N 2.231 122.080 120.200 -0.585 0.000 2.222 977 E HA 0.393 4.744 4.350 0.001 0.000 0.272 977 E C -1.068 175.171 176.600 -0.603 0.000 0.982 977 E CA -0.504 55.570 56.400 -0.544 0.000 0.842 977 E CB 1.626 30.810 29.700 -0.861 0.000 1.144 977 E HN 0.556 nan 8.360 nan 0.000 0.397 978 Y N 0.471 120.752 120.300 -0.031 0.000 2.425 978 Y HA 0.438 4.989 4.550 0.001 0.000 0.344 978 Y C 0.045 176.047 175.900 0.169 0.000 0.969 978 Y CA -0.604 57.548 58.100 0.085 0.000 1.052 978 Y CB 1.459 39.962 38.460 0.072 0.000 1.215 978 Y HN 0.276 nan 8.280 nan 0.000 0.451 979 I N 2.504 123.306 120.570 0.385 0.000 2.378 979 I HA 0.349 4.519 4.170 0.001 0.000 0.291 979 I C -0.219 176.166 176.117 0.447 0.000 0.992 979 I CA -0.385 61.145 61.300 0.383 0.000 1.154 979 I CB 1.526 39.766 38.000 0.400 0.000 1.315 979 I HN 0.518 nan 8.210 nan 0.000 0.448 980 S N 7.312 123.206 115.700 0.322 0.000 2.632 980 S HA 0.428 4.898 4.470 0.001 0.000 0.271 980 S C -2.240 172.395 174.600 0.059 0.000 1.260 980 S CA -1.021 57.330 58.200 0.250 0.000 1.010 980 S CB 1.023 64.293 63.200 0.118 0.000 0.965 980 S HN 0.441 nan 8.310 nan 0.000 0.534 981 P HA 0.123 nan 4.420 nan 0.000 0.272 981 P C -0.722 176.347 177.300 -0.385 0.000 1.223 981 P CA -0.324 62.247 63.100 -0.881 0.000 0.784 981 P CB 0.413 31.564 31.700 -0.914 0.000 0.923 982 N N 0.380 118.863 118.700 -0.362 0.000 2.347 982 N HA 0.033 4.774 4.740 0.001 0.000 0.253 982 N C 1.270 176.683 175.510 -0.161 0.000 1.274 982 N CA -0.512 52.427 53.050 -0.185 0.000 0.941 982 N CB 0.340 38.740 38.487 -0.144 0.000 1.200 982 N HN 0.433 nan 8.380 nan 0.000 0.514 983 E N -0.062 120.076 120.200 -0.102 0.000 2.333 983 E HA -0.176 4.174 4.350 0.001 0.000 0.198 983 E C 0.006 176.557 176.600 -0.081 0.000 1.007 983 E CA 0.863 57.215 56.400 -0.080 0.000 0.845 983 E CB -0.102 29.565 29.700 -0.055 0.000 0.766 983 E HN 0.551 nan 8.360 nan 0.000 0.507 984 D N -1.370 118.975 120.400 -0.093 0.000 2.368 984 D HA 0.087 4.728 4.640 0.001 0.000 0.218 984 D C 1.189 177.431 176.300 -0.097 0.000 1.112 984 D CA 0.462 54.415 54.000 -0.079 0.000 0.834 984 D CB 0.466 41.227 40.800 -0.065 0.000 0.953 984 D HN 0.140 nan 8.370 nan 0.000 0.505 985 G N 0.380 109.088 108.800 -0.153 0.000 2.199 985 G HA2 -0.292 3.668 3.960 0.001 0.000 0.254 985 G HA3 -0.292 3.668 3.960 0.001 0.000 0.254 985 G C 0.589 175.336 174.900 -0.256 0.000 0.982 985 G CA 0.540 45.530 45.100 -0.183 0.000 0.632 985 G HN 0.774 nan 8.290 nan 0.000 0.529 986 T N -1.301 113.122 114.554 -0.219 0.000 2.816 986 T HA 0.691 5.042 4.350 0.001 0.000 0.282 986 T C -0.180 174.337 174.700 -0.305 0.000 0.993 986 T CA -0.356 61.661 62.100 -0.139 0.000 0.994 986 T CB 1.595 70.421 68.868 -0.070 0.000 1.025 986 T HN 0.439 nan 8.240 nan 0.000 0.529 987 F N -0.292 119.637 119.950 -0.035 0.000 2.540 987 F HA 0.460 4.988 4.527 0.001 0.000 0.317 987 F C 0.494 176.279 175.800 -0.024 0.000 1.104 987 F CA -0.870 57.119 58.000 -0.019 0.000 0.913 987 F CB 2.407 41.393 39.000 -0.024 0.000 1.170 987 F HN 0.570 nan 8.300 nan 0.000 0.450 988 T N 4.835 119.478 114.554 0.148 0.000 2.767 988 T HA 0.565 4.916 4.350 0.001 0.000 0.288 988 T C -0.296 174.436 174.700 0.055 0.000 0.963 988 T CA -0.498 61.650 62.100 0.079 0.000 1.019 988 T CB 0.385 69.277 68.868 0.041 0.000 0.923 988 T HN 0.295 nan 8.240 nan 0.000 0.468 989 L N 6.391 127.613 121.223 -0.002 0.000 2.287 989 L HA 0.444 4.785 4.340 0.001 0.000 0.287 989 L C -1.954 174.867 176.870 -0.082 0.000 1.022 989 L CA -2.339 52.355 54.840 -0.244 0.000 0.814 989 L CB 1.208 42.825 42.059 -0.737 0.000 1.217 989 L HN 0.349 nan 8.230 nan 0.000 0.420 990 P HA 0.103 nan 4.420 nan 0.000 0.274 990 P C -0.302 177.022 177.300 0.039 0.000 1.237 990 P CA -0.282 62.827 63.100 0.015 0.000 0.793 990 P CB 1.200 32.901 31.700 0.002 0.000 0.977 991 E N 0.080 120.297 120.200 0.027 0.000 2.478 991 E HA -0.000 4.351 4.350 0.001 0.000 0.194 991 E C 0.566 177.155 176.600 -0.018 0.000 1.045 991 E CA 0.402 56.820 56.400 0.030 0.000 0.868 991 E CB 0.381 30.100 29.700 0.031 0.000 0.885 991 E HN 0.627 nan 8.360 nan 0.000 0.505 992 E N -0.786 119.381 120.200 -0.056 0.000 2.422 992 E HA 0.619 4.970 4.350 0.001 0.000 0.280 992 E C -1.716 174.798 176.600 -0.143 0.000 1.091 992 E CA -1.082 55.259 56.400 -0.099 0.000 0.849 992 E CB 1.104 30.766 29.700 -0.063 0.000 1.353 992 E HN -0.034 nan 8.360 nan 0.000 0.449 993 A N 1.077 123.770 122.820 -0.212 0.000 2.414 993 A HA 0.641 4.961 4.320 0.001 0.000 0.306 993 A C -1.207 176.203 177.584 -0.290 0.000 1.054 993 A CA -0.706 51.127 52.037 -0.341 0.000 0.724 993 A CB 1.804 20.343 19.000 -0.770 0.000 1.267 993 A HN 0.491 nan 8.150 nan 0.000 0.418 994 E N 0.474 120.555 120.200 -0.198 0.000 2.266 994 E HA 0.557 4.908 4.350 0.001 0.000 0.277 994 E C 0.323 176.917 176.600 -0.010 0.000 1.018 994 E CA 0.102 56.456 56.400 -0.077 0.000 0.840 994 E CB 1.466 31.152 29.700 -0.024 0.000 1.082 994 E HN 0.610 nan 8.360 nan 0.000 0.395 998 G N 0.340 109.158 108.800 0.030 0.000 2.157 998 G HA2 -0.123 3.838 3.960 0.001 0.000 0.239 998 G HA3 -0.123 3.838 3.960 0.001 0.000 0.239 998 G C 0.440 175.351 174.900 0.019 0.000 0.982 998 G CA 0.053 45.166 45.100 0.022 0.000 0.650 998 G HN 0.664 nan 8.290 nan 0.000 0.527 999 A N 0.110 122.945 122.820 0.025 0.000 2.327 999 A HA 0.770 5.090 4.320 0.001 0.000 0.283 999 A C 0.507 178.099 177.584 0.013 0.000 1.127 999 A CA 0.624 52.673 52.037 0.020 0.000 0.810 999 A CB 0.728 19.745 19.000 0.028 0.000 1.066 999 A HN 0.644 nan 8.150 nan 0.000 0.492 1000 T N 1.854 116.409 114.554 0.002 0.000 2.771 1000 T HA 0.435 4.786 4.350 0.001 0.000 0.291 1000 T C -0.293 174.399 174.700 -0.014 0.000 0.954 1000 T CA -0.086 62.006 62.100 -0.014 0.000 1.045 1000 T CB 0.716 69.576 68.868 -0.014 0.000 0.917 1000 T HN 0.377 nan 8.240 nan 0.000 0.484 1001 V N 8.026 127.918 119.914 -0.037 0.000 2.311 1001 V HA 0.308 4.429 4.120 0.001 0.000 0.275 1001 V C -1.879 174.183 176.094 -0.054 0.000 1.022 1001 V CA -2.046 60.239 62.300 -0.025 0.000 0.830 1001 V CB 0.952 32.776 31.823 0.002 0.000 1.012 1001 V HN 0.724 nan 8.190 nan 0.000 0.452 1002 P HA 0.235 nan 4.420 nan 0.000 0.271 1002 P C -0.945 176.313 177.300 -0.069 0.000 1.216 1002 P CA -0.042 63.032 63.100 -0.043 0.000 0.776 1002 P CB 1.317 33.003 31.700 -0.023 0.000 0.881 1003 L N 2.785 123.956 121.223 -0.086 0.000 2.346 1003 L HA 0.495 4.836 4.340 0.001 0.000 0.276 1003 L C 0.789 177.621 176.870 -0.063 0.000 1.006 1003 L CA -0.752 53.995 54.840 -0.155 0.000 0.817 1003 L CB 1.996 43.887 42.059 -0.280 0.000 1.272 1003 L HN 0.316 nan 8.230 nan 0.000 0.421 1007 D N 1.107 121.403 120.400 -0.174 0.000 2.289 1007 D HA 0.273 4.914 4.640 0.001 0.000 0.207 1007 D C -0.230 175.862 176.300 -0.345 0.000 0.966 1007 D CA 0.588 54.395 54.000 -0.321 0.000 0.868 1007 D CB -0.010 40.456 40.800 -0.558 0.000 0.943 1007 D HN 0.453 nan 8.370 nan 0.000 0.514 1008 F N 0.764 120.710 119.950 -0.007 0.000 2.394 1008 F HA 0.305 4.833 4.527 0.001 0.000 0.340 1008 F C 0.750 176.530 175.800 -0.033 0.000 1.105 1008 F CA -0.290 57.705 58.000 -0.008 0.000 1.124 1008 F CB 1.468 40.416 39.000 -0.085 0.000 1.145 1008 F HN -0.454 nan 8.300 nan 0.000 0.505 1009 T N 2.628 117.248 114.554 0.110 0.000 2.879 1009 T HA 0.174 4.525 4.350 0.001 0.000 0.290 1009 T C -1.417 173.186 174.700 -0.161 0.000 0.993 1009 T CA -0.542 61.511 62.100 -0.077 0.000 0.975 1009 T CB 0.630 69.321 68.868 -0.295 0.000 0.981 1009 T HN 0.351 nan 8.240 nan 0.000 0.439 1010 Y N 4.137 124.277 120.300 -0.267 0.000 2.359 1010 Y HA 0.527 5.077 4.550 0.001 0.000 0.334 1010 Y C -0.850 174.862 175.900 -0.313 0.000 1.058 1010 Y CA -0.906 57.007 58.100 -0.312 0.000 1.244 1010 Y CB 0.365 38.670 38.460 -0.260 0.000 1.187 1010 Y HN 0.385 nan 8.280 nan 0.000 0.510 1011 V N 7.308 126.870 119.914 -0.587 0.000 2.531 1011 V HA 0.480 4.601 4.120 0.001 0.000 0.301 1011 V C -0.944 174.834 176.094 -0.525 0.000 1.034 1011 V CA -0.986 60.974 62.300 -0.567 0.000 0.865 1011 V CB 1.598 33.070 31.823 -0.585 0.000 0.995 1011 V HN 0.549 nan 8.190 nan 0.000 0.424 1012 V N 4.111 123.753 119.914 -0.454 0.000 2.487 1012 V HA 0.565 4.686 4.120 0.001 0.000 0.298 1012 V C -0.349 175.662 176.094 -0.138 0.000 1.028 1012 V CA -0.487 61.630 62.300 -0.305 0.000 0.860 1012 V CB 1.903 33.528 31.823 -0.329 0.000 0.991 1012 V HN 0.972 nan 8.190 nan 0.000 0.427 1013 E N 2.930 123.081 120.200 -0.083 0.000 2.248 1013 E HA 0.515 4.866 4.350 0.001 0.000 0.267 1013 E C -1.424 175.232 176.600 0.094 0.000 0.877 1013 E CA -0.664 55.747 56.400 0.018 0.000 0.759 1013 E CB 2.058 31.763 29.700 0.009 0.000 1.182 1013 E HN 0.895 nan 8.360 nan 0.000 0.418 1017 G N -0.014 108.877 108.800 0.151 0.000 2.176 1017 G HA2 -0.236 3.724 3.960 0.001 0.000 0.232 1017 G HA3 -0.236 3.724 3.960 0.001 0.000 0.232 1017 G C -0.116 174.852 174.900 0.113 0.000 0.986 1017 G CA 0.190 45.377 45.100 0.144 0.000 0.643 1017 G HN 0.728 nan 8.290 nan 0.000 0.522 1018 N N 0.100 118.857 118.700 0.096 0.000 2.492 1018 N HA 0.583 5.323 4.740 0.001 0.000 0.262 1018 N C -0.104 175.451 175.510 0.075 0.000 1.202 1018 N CA 0.624 53.717 53.050 0.071 0.000 0.926 1018 N CB 1.221 39.741 38.487 0.056 0.000 1.078 1018 N HN 0.520 nan 8.380 nan 0.000 0.454 1019 I N 0.427 121.039 120.570 0.070 0.000 2.913 1019 I HA 0.480 4.651 4.170 0.001 0.000 0.302 1019 I C -1.182 174.958 176.117 0.039 0.000 1.246 1019 I CA -0.459 60.884 61.300 0.071 0.000 1.010 1019 I CB 2.018 40.105 38.000 0.145 0.000 1.259 1019 I HN 0.612 nan 8.210 nan 0.000 0.434 1020 T N 2.561 117.099 114.554 -0.027 0.000 2.933 1020 T HA 0.641 4.991 4.350 0.001 0.000 0.305 1020 T C -1.350 173.253 174.700 -0.162 0.000 1.092 1020 T CA -0.563 61.444 62.100 -0.155 0.000 1.008 1020 T CB 1.403 70.168 68.868 -0.172 0.000 1.102 1020 T HN 0.535 nan 8.240 nan 0.000 0.469 1021 Y N -0.789 119.436 120.300 -0.126 0.000 2.442 1021 Y HA 0.826 5.376 4.550 0.001 0.000 0.344 1021 Y C -0.680 175.142 175.900 -0.130 0.000 0.976 1021 Y CA -1.189 56.769 58.100 -0.237 0.000 1.040 1021 Y CB 1.810 40.124 38.460 -0.243 0.000 1.228 1021 Y HN 0.724 nan 8.280 nan 0.000 0.451 1022 T N 4.086 118.620 114.554 -0.032 0.000 2.991 1022 T HA 0.403 4.753 4.350 0.001 0.000 0.303 1022 T C -3.063 171.665 174.700 0.047 0.000 1.015 1022 T CA -1.581 60.528 62.100 0.015 0.000 1.007 1022 T CB 1.855 70.746 68.868 0.038 0.000 1.034 1022 T HN 0.359 nan 8.240 nan 0.000 0.446 1023 P HA 0.103 nan 4.420 nan 0.000 0.265 1023 P C 0.998 178.312 177.300 0.022 0.000 1.193 1023 P CA -0.190 62.942 63.100 0.053 0.000 0.765 1023 P CB 0.602 32.338 31.700 0.059 0.000 0.823 1024 V N 2.743 122.669 119.914 0.020 0.000 2.490 1024 V HA -0.234 3.886 4.120 0.001 0.000 0.250 1024 V C 2.289 178.356 176.094 -0.045 0.000 1.061 1024 V CA 2.681 64.962 62.300 -0.031 0.000 1.064 1024 V CB -1.674 30.122 31.823 -0.044 0.000 0.670 1024 V HN 0.706 nan 8.190 nan 0.000 0.461 1025 T N -1.135 113.406 114.554 -0.021 0.000 2.788 1025 T HA -0.277 4.074 4.350 0.001 0.000 0.268 1025 T C 1.824 176.499 174.700 -0.042 0.000 1.044 1025 T CA 1.650 63.731 62.100 -0.032 0.000 1.139 1025 T CB -0.267 68.593 68.868 -0.014 0.000 0.867 1025 T HN 0.371 nan 8.240 nan 0.000 0.454 1026 K N 1.494 121.872 120.400 -0.037 0.000 2.057 1026 K HA 0.108 4.429 4.320 0.001 0.000 0.207 1026 K C 2.188 178.732 176.600 -0.093 0.000 1.049 1026 K CA 1.202 57.451 56.287 -0.063 0.000 0.931 1026 K CB -0.861 31.616 32.500 -0.039 0.000 0.714 1026 K HN 0.459 nan 8.250 nan 0.000 0.440 1027 L N 0.197 121.378 121.223 -0.070 0.000 2.083 1027 L HA -0.133 4.208 4.340 0.001 0.000 0.209 1027 L C 2.286 179.112 176.870 -0.073 0.000 1.083 1027 L CA 1.010 55.804 54.840 -0.077 0.000 0.752 1027 L CB -0.361 41.647 42.059 -0.086 0.000 0.899 1027 L HN 0.174 nan 8.230 nan 0.000 0.433 1028 L N -0.318 120.867 121.223 -0.063 0.000 2.131 1028 L HA -0.072 4.269 4.340 0.001 0.000 0.206 1028 L C 1.299 178.147 176.870 -0.036 0.000 1.087 1028 L CA 0.043 54.860 54.840 -0.038 0.000 0.767 1028 L CB -0.527 41.512 42.059 -0.034 0.000 0.917 1028 L HN 0.339 nan 8.230 nan 0.000 0.441 1029 E N 1.024 121.189 120.200 -0.057 0.000 2.534 1029 E HA -0.067 4.283 4.350 0.001 0.000 0.264 1029 E C 1.278 177.855 176.600 -0.038 0.000 0.981 1029 E CA 0.281 56.651 56.400 -0.049 0.000 0.948 1029 E CB 0.377 30.031 29.700 -0.077 0.000 0.934 1029 E HN 0.272 nan 8.360 nan 0.000 0.459 1030 G N 4.193 113.019 108.800 0.043 0.000 3.550 1030 G HA2 -0.412 3.549 3.960 0.001 0.000 0.327 1030 G HA3 -0.412 3.549 3.960 0.001 0.000 0.327 1030 G C 0.661 175.647 174.900 0.144 0.000 1.344 1030 G CA 1.916 47.088 45.100 0.120 0.000 1.399 1030 G HN 1.006 nan 8.290 nan 0.000 1.219 1031 H N 0.000 119.073 119.070 0.006 0.000 2.539 1031 H HA 0.000 4.557 4.556 0.001 0.000 0.296 1031 H CA 0.000 56.051 56.048 0.005 0.000 1.023 1031 H CB 0.000 29.765 29.762 0.005 0.000 1.292 1031 H HN 0.000 nan 8.280 nan 0.000 0.496