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 3nwd_1_B DATA FIRST_RESID 105 DATA SEQUENCE KAENTDANFY VcPPPTGATV VQFEQPRRcP TRPEGQNYTE GIAVVFKENI DATA SEQUENCE APYKFKATMY YKDVTVSQVW FGHRSSQFMG IFEDRAPVPF EEVIDKINAK DATA SEQUENCE GVcRSTAKYV RNNLETTAFH RDDHETDMEL KPANAATRTS RGWHTTDLKY DATA SEQUENCE NPSRVEXXXR YGTTVNcIVE EVDARSVYPY DEFVLATGDF VYMSPFYGYR DATA SEQUENCE EGSHTEHTSY AADRFKQVDG FYARDLTTKA RATAPTTRNL LTTPKFTVAW DATA SEQUENCE DWVPKRPSVc TMTKWQEVDE MLRSEYGGSF RFSSDAISTT FTTNLTEYPL DATA SEQUENCE SRVDLGDcIG KDARDAMDRI FARRYNATHI KVGQPQYYLA NGGFLIAYQP DATA SEQUENCE LLSNTLAXXX XXXHLREQSR KXXXXXXXXX XXXXXXSVER IKTTSSIEFA DATA SEQUENCE RLQFTYNHIQ RHVNDMLGRV AIAWcELQNH ELTLWNEARK LNPNAIASVT DATA SEQUENCE VGRRVSARML GDVMAVSTcV PVAADNVIVQ NSMRISSRPG AcYSRPLVSF DATA SEQUENCE RYEDQGPLVE GQLGENNELR LTRDAIEPcT VGHRRYFTFG GGYVYFEEYA DATA SEQUENCE YSHQLSRADI TTVSTFIDLN ITMLEDHEFV PLEVYTRHEI KDSGLLDYTE DATA SEQUENCE VQRRNQLHDL RFADIDTVIH A 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 105 K HA 0.000 nan 4.320 nan 0.000 0.191 105 K C 0.000 176.786 176.600 0.310 0.000 0.988 105 K CA 0.000 56.376 56.287 0.149 0.000 0.838 105 K CB 0.000 32.545 32.500 0.076 0.000 1.064 106 A N 3.143 126.121 122.820 0.263 0.000 2.752 106 A HA 0.011 4.331 4.320 0.000 0.000 0.292 106 A C 1.026 178.738 177.584 0.213 0.000 1.597 106 A CA 0.742 52.921 52.037 0.237 0.000 1.241 106 A CB -0.389 18.561 19.000 -0.083 0.000 1.061 106 A HN 0.874 nan 8.150 nan 0.000 0.576 107 E N 3.177 123.558 120.200 0.302 0.000 2.001 107 E HA -0.182 4.168 4.350 0.000 0.000 0.195 107 E C 0.168 176.867 176.600 0.164 0.000 1.002 107 E CA 1.175 57.698 56.400 0.205 0.000 0.819 107 E CB -0.145 29.686 29.700 0.219 0.000 0.769 107 E HN 0.873 nan 8.360 nan 0.000 0.454 108 N N 0.378 119.196 118.700 0.197 0.000 2.416 108 N HA -0.015 4.725 4.740 0.000 0.000 0.271 108 N C -0.463 175.098 175.510 0.085 0.000 1.245 108 N CA 0.163 53.294 53.050 0.136 0.000 0.940 108 N CB 0.957 39.537 38.487 0.154 0.000 1.175 108 N HN 0.001 nan 8.380 nan 0.000 0.483 109 T N 0.369 114.958 114.554 0.058 0.000 3.252 109 T HA -0.001 4.349 4.350 0.000 0.000 0.286 109 T C -0.082 174.629 174.700 0.018 0.000 1.013 109 T CA -0.587 61.534 62.100 0.035 0.000 0.914 109 T CB -0.187 68.705 68.868 0.040 0.000 1.131 109 T HN 0.557 nan 8.240 nan 0.000 0.529 110 D N 1.371 121.779 120.400 0.015 0.000 3.038 110 D HA 0.458 5.098 4.640 0.000 0.000 0.243 110 D C 0.282 176.575 176.300 -0.012 0.000 1.245 110 D CA -0.271 53.734 54.000 0.007 0.000 0.871 110 D CB 0.232 41.042 40.800 0.017 0.000 1.089 110 D HN 0.420 nan 8.370 nan 0.000 0.464 111 A N 0.565 123.368 122.820 -0.028 0.000 2.581 111 A HA 0.561 4.881 4.320 0.000 0.000 0.290 111 A C -1.471 176.076 177.584 -0.062 0.000 1.119 111 A CA -1.028 50.974 52.037 -0.058 0.000 0.670 111 A CB 1.091 20.018 19.000 -0.121 0.000 1.280 111 A HN 0.223 nan 8.150 nan 0.000 0.425 112 N N -0.940 117.712 118.700 -0.080 0.000 2.335 112 N HA 0.732 5.472 4.740 0.000 0.000 0.304 112 N C -1.427 173.961 175.510 -0.204 0.000 1.135 112 N CA -0.197 52.789 53.050 -0.106 0.000 0.817 112 N CB 1.464 39.895 38.487 -0.093 0.000 1.294 112 N HN 0.487 nan 8.380 nan 0.000 0.497 113 F N 1.080 120.849 119.950 -0.301 0.000 2.483 113 F HA 0.533 5.060 4.527 0.000 0.000 0.329 113 F C -0.741 174.761 175.800 -0.497 0.000 1.064 113 F CA -0.212 57.621 58.000 -0.277 0.000 0.986 113 F CB 1.008 39.829 39.000 -0.298 0.000 1.218 113 F HN 0.355 nan 8.300 nan 0.000 0.484 114 Y N 0.856 121.219 120.300 0.105 0.000 2.534 114 Y HA 0.563 5.113 4.550 0.000 0.000 0.345 114 Y C -1.028 174.878 175.900 0.010 0.000 1.031 114 Y CA -1.164 56.959 58.100 0.037 0.000 1.022 114 Y CB 2.044 40.508 38.460 0.006 0.000 1.292 114 Y HN 0.282 nan 8.280 nan 0.000 0.459 115 V N 2.752 122.767 119.914 0.168 0.000 2.407 115 V HA 0.614 4.734 4.120 0.000 0.000 0.291 115 V C -1.436 174.749 176.094 0.151 0.000 1.018 115 V CA -0.535 61.837 62.300 0.119 0.000 0.842 115 V CB 0.374 32.285 31.823 0.148 0.000 0.996 115 V HN 0.897 nan 8.190 nan 0.000 0.426 116 c N 8.854 127.526 118.600 0.122 0.000 2.335 116 c HA 0.606 5.176 4.570 0.000 0.000 0.318 116 c C -2.287 171.855 174.090 0.085 0.000 1.150 116 c CA -1.028 55.360 56.329 0.097 0.000 1.466 116 c CB 0.532 43.085 42.510 0.073 0.000 2.024 116 c HN 0.797 nan 8.230 nan 0.000 0.429 117 P HA 0.370 nan 4.420 nan 0.000 0.279 117 P C -2.792 174.540 177.300 0.052 0.000 1.276 117 P CA -1.598 61.544 63.100 0.070 0.000 0.801 117 P CB -0.238 31.504 31.700 0.069 0.000 1.127 118 P HA 0.110 nan 4.420 nan 0.000 0.265 118 P C -2.163 175.154 177.300 0.029 0.000 1.222 118 P CA -0.771 62.349 63.100 0.034 0.000 0.767 118 P CB -1.150 30.568 31.700 0.030 0.000 0.801 119 P HA -0.020 nan 4.420 nan 0.000 0.266 119 P C 0.118 177.426 177.300 0.014 0.000 1.215 119 P CA 0.141 63.253 63.100 0.020 0.000 0.763 119 P CB 0.026 31.735 31.700 0.015 0.000 0.806 120 T N 0.467 115.029 114.554 0.013 0.000 2.908 120 T HA 0.044 4.394 4.350 0.000 0.000 0.325 120 T C 1.887 176.589 174.700 0.005 0.000 1.092 120 T CA 0.188 62.294 62.100 0.009 0.000 1.125 120 T CB -0.042 68.832 68.868 0.009 0.000 1.016 120 T HN 0.506 nan 8.240 nan 0.000 0.550 121 G N 2.067 110.868 108.800 0.002 0.000 2.766 121 G HA2 -0.050 3.910 3.960 0.000 0.000 0.222 121 G HA3 -0.050 3.910 3.960 0.000 0.000 0.222 121 G C 0.792 175.690 174.900 -0.003 0.000 1.225 121 G CA 0.698 45.797 45.100 -0.002 0.000 0.784 121 G HN 1.443 nan 8.290 nan 0.000 0.631 122 A N 0.306 123.125 122.820 -0.002 0.000 2.440 122 A HA 0.561 4.881 4.320 0.000 0.000 0.251 122 A C 0.807 178.391 177.584 0.000 0.000 1.089 122 A CA 0.571 52.607 52.037 -0.002 0.000 0.779 122 A CB 0.095 19.094 19.000 -0.001 0.000 1.022 122 A HN 0.883 nan 8.150 nan 0.000 0.492 123 T N -0.646 113.908 114.554 -0.000 0.000 2.912 123 T HA 0.668 5.018 4.350 0.000 0.000 0.280 123 T C 0.084 174.779 174.700 -0.008 0.000 0.989 123 T CA -0.081 62.017 62.100 -0.003 0.000 0.995 123 T CB 1.125 69.992 68.868 -0.001 0.000 1.077 123 T HN 1.571 nan 8.240 nan 0.000 0.531 124 V N -0.689 119.218 119.914 -0.012 0.000 2.769 124 V HA 0.927 5.047 4.120 0.000 0.000 0.312 124 V C -0.110 175.971 176.094 -0.023 0.000 1.061 124 V CA -0.926 61.361 62.300 -0.022 0.000 0.931 124 V CB 0.922 32.730 31.823 -0.025 0.000 1.010 124 V HN 1.241 nan 8.190 nan 0.000 0.433 125 V N 1.574 121.467 119.914 -0.036 0.000 3.160 125 V HA 0.869 4.989 4.120 0.000 0.000 0.310 125 V C -0.836 175.219 176.094 -0.066 0.000 1.181 125 V CA -0.633 61.649 62.300 -0.029 0.000 1.047 125 V CB 1.784 33.605 31.823 -0.004 0.000 1.068 125 V HN 1.345 nan 8.190 nan 0.000 0.441 126 Q N 0.698 120.480 119.800 -0.031 0.000 2.423 126 Q HA 0.607 4.947 4.340 0.000 0.000 0.278 126 Q C -1.443 174.616 176.000 0.098 0.000 1.097 126 Q CA -0.811 54.962 55.803 -0.050 0.000 0.809 126 Q CB 2.625 31.352 28.738 -0.019 0.000 1.391 126 Q HN 0.716 nan 8.270 nan 0.000 0.428 127 F N 0.770 120.706 119.950 -0.024 0.000 2.410 127 F HA 0.146 4.673 4.527 0.000 0.000 0.334 127 F C 0.968 176.748 175.800 -0.033 0.000 1.134 127 F CA -0.726 57.250 58.000 -0.039 0.000 1.227 127 F CB 1.084 40.066 39.000 -0.030 0.000 1.194 127 F HN 0.673 nan 8.300 nan 0.000 0.571 128 E N 2.245 122.525 120.200 0.134 0.000 2.344 128 E HA 0.046 4.396 4.350 0.000 0.000 0.270 128 E C -0.735 175.895 176.600 0.050 0.000 1.021 128 E CA -0.782 55.649 56.400 0.052 0.000 0.887 128 E CB 0.781 30.478 29.700 -0.005 0.000 0.997 128 E HN 0.460 nan 8.360 nan 0.000 0.429 129 Q N 3.723 123.550 119.800 0.047 0.000 2.524 129 Q HA 0.173 4.513 4.340 0.000 0.000 0.246 129 Q C -2.181 173.834 176.000 0.026 0.000 1.063 129 Q CA -0.957 54.871 55.803 0.041 0.000 0.945 129 Q CB -0.363 28.395 28.738 0.033 0.000 1.292 129 Q HN 0.451 nan 8.270 nan 0.000 0.518 130 P HA 0.013 nan 4.420 nan 0.000 0.265 130 P C -0.815 176.499 177.300 0.023 0.000 1.193 130 P CA 0.252 63.365 63.100 0.022 0.000 0.765 130 P CB 0.618 32.330 31.700 0.019 0.000 0.823 131 R N 1.867 122.384 120.500 0.027 0.000 2.532 131 R HA 0.366 4.706 4.340 0.000 0.000 0.272 131 R C 0.562 176.883 176.300 0.036 0.000 1.032 131 R CA -0.870 55.249 56.100 0.032 0.000 1.089 131 R CB 0.859 31.183 30.300 0.041 0.000 1.098 131 R HN 0.415 nan 8.270 nan 0.000 0.526 132 R N 1.799 122.318 120.500 0.032 0.000 2.291 132 R HA 0.094 4.434 4.340 0.000 0.000 0.333 132 R C -0.748 175.575 176.300 0.038 0.000 1.082 132 R CA -0.274 55.844 56.100 0.031 0.000 0.948 132 R CB 0.103 30.418 30.300 0.024 0.000 1.009 132 R HN 0.586 nan 8.270 nan 0.000 0.460 133 c N 7.052 125.678 118.600 0.043 0.000 2.637 133 c HA 0.207 4.777 4.570 0.000 0.000 0.418 133 c C -1.546 172.567 174.090 0.038 0.000 1.319 133 c CA -1.156 55.203 56.329 0.050 0.000 1.949 133 c CB 0.007 42.550 42.510 0.055 0.000 2.639 133 c HN 0.688 nan 8.230 nan 0.000 0.594 134 P HA 0.198 nan 4.420 nan 0.000 0.270 134 P C -0.092 177.220 177.300 0.020 0.000 1.227 134 P CA 0.180 63.295 63.100 0.025 0.000 0.788 134 P CB 0.326 32.041 31.700 0.024 0.000 0.926 135 T N -1.056 113.506 114.554 0.012 0.000 2.855 135 T HA 0.415 4.765 4.350 0.000 0.000 0.281 135 T C 0.037 174.738 174.700 0.002 0.000 1.007 135 T CA -1.107 60.998 62.100 0.008 0.000 1.009 135 T CB 0.867 69.739 68.868 0.006 0.000 0.983 135 T HN 0.169 nan 8.240 nan 0.000 0.455 136 R N 3.056 123.555 120.500 -0.001 0.000 2.484 136 R HA 0.225 4.565 4.340 0.000 0.000 0.293 136 R C -2.098 174.197 176.300 -0.010 0.000 1.023 136 R CA -1.039 55.056 56.100 -0.008 0.000 1.037 136 R CB -0.072 30.222 30.300 -0.010 0.000 0.951 136 R HN 0.563 nan 8.270 nan 0.000 0.418 137 P HA -0.056 nan 4.420 nan 0.000 0.266 137 P C 0.470 177.758 177.300 -0.019 0.000 1.195 137 P CA -0.109 62.983 63.100 -0.014 0.000 0.768 137 P CB 0.584 32.276 31.700 -0.013 0.000 0.838 138 E N 1.265 121.452 120.200 -0.022 0.000 2.273 138 E HA -0.122 4.228 4.350 0.000 0.000 0.198 138 E C 1.183 177.760 176.600 -0.037 0.000 1.002 138 E CA 1.581 57.966 56.400 -0.026 0.000 0.828 138 E CB -0.352 29.331 29.700 -0.028 0.000 0.747 138 E HN 0.770 nan 8.360 nan 0.000 0.491 139 G N 0.283 109.056 108.800 -0.045 0.000 2.384 139 G HA2 -0.187 3.773 3.960 0.000 0.000 0.204 139 G HA3 -0.187 3.773 3.960 0.000 0.000 0.204 139 G C -1.027 173.802 174.900 -0.119 0.000 1.237 139 G CA -0.150 44.910 45.100 -0.066 0.000 1.060 139 G HN 0.165 nan 8.290 nan 0.000 0.514 140 Q N 0.415 120.079 119.800 -0.226 0.000 2.290 140 Q HA 0.487 4.827 4.340 0.000 0.000 0.269 140 Q C -0.303 175.254 176.000 -0.738 0.000 1.016 140 Q CA -0.414 55.122 55.803 -0.446 0.000 0.754 140 Q CB 0.543 28.970 28.738 -0.518 0.000 1.247 140 Q HN 0.607 nan 8.270 nan 0.000 0.451 141 N N 4.065 122.486 118.700 -0.466 0.000 2.431 141 N HA 0.112 4.852 4.740 0.000 0.000 0.265 141 N C -1.031 174.248 175.510 -0.385 0.000 1.184 141 N CA 0.206 53.056 53.050 -0.333 0.000 0.943 141 N CB 0.545 38.946 38.487 -0.143 0.000 1.080 141 N HN 0.478 nan 8.380 nan 0.000 0.477 142 Y N 0.570 120.881 120.300 0.018 0.000 2.360 142 Y HA 0.228 4.778 4.550 0.000 0.000 0.337 142 Y C 0.598 176.533 175.900 0.059 0.000 1.039 142 Y CA -0.961 57.153 58.100 0.022 0.000 1.109 142 Y CB 1.511 39.983 38.460 0.019 0.000 1.201 142 Y HN 0.275 nan 8.280 nan 0.000 0.458 143 T N 2.436 117.128 114.554 0.230 0.000 2.743 143 T HA 0.165 4.515 4.350 0.000 0.000 0.292 143 T C -0.367 174.484 174.700 0.252 0.000 0.972 143 T CA -0.912 61.317 62.100 0.214 0.000 0.967 143 T CB 0.684 69.682 68.868 0.217 0.000 0.926 143 T HN 0.565 nan 8.240 nan 0.000 0.459 144 E N 2.004 122.331 120.200 0.211 0.000 2.360 144 E HA 0.495 4.845 4.350 0.000 0.000 0.269 144 E C 0.295 176.963 176.600 0.113 0.000 1.022 144 E CA -0.194 56.314 56.400 0.179 0.000 0.887 144 E CB 0.370 30.165 29.700 0.158 0.000 0.990 144 E HN 0.898 nan 8.360 nan 0.000 0.426 145 G N 2.891 111.749 108.800 0.096 0.000 2.506 145 G HA2 0.375 4.335 3.960 0.000 0.000 0.292 145 G HA3 0.375 4.335 3.960 0.000 0.000 0.292 145 G C -1.365 173.475 174.900 -0.100 0.000 1.425 145 G CA -0.861 44.140 45.100 -0.164 0.000 0.788 145 G HN 0.505 nan 8.290 nan 0.000 0.490 146 I N 0.619 121.011 120.570 -0.297 0.000 2.460 146 I HA 0.682 4.852 4.170 0.000 0.000 0.298 146 I C 0.441 176.544 176.117 -0.023 0.000 0.989 146 I CA -0.765 60.459 61.300 -0.126 0.000 1.173 146 I CB 1.914 39.803 38.000 -0.185 0.000 1.338 146 I HN 0.748 nan 8.210 nan 0.000 0.456 147 A N 5.435 128.303 122.820 0.081 0.000 2.498 147 A HA 0.889 5.209 4.320 0.000 0.000 0.298 147 A C -1.318 176.266 177.584 0.001 0.000 1.075 147 A CA -0.537 51.561 52.037 0.103 0.000 0.714 147 A CB 2.005 21.117 19.000 0.187 0.000 1.299 147 A HN 0.399 nan 8.150 nan 0.000 0.407 148 V N 1.152 121.059 119.914 -0.011 0.000 2.638 148 V HA 0.490 4.610 4.120 0.000 0.000 0.306 148 V C -0.816 175.233 176.094 -0.076 0.000 1.052 148 V CA -0.522 61.730 62.300 -0.080 0.000 0.885 148 V CB 1.855 33.634 31.823 -0.073 0.000 0.999 148 V HN 0.712 nan 8.190 nan 0.000 0.424 149 V N 5.389 125.211 119.914 -0.152 0.000 2.357 149 V HA 0.515 4.635 4.120 0.000 0.000 0.284 149 V C -0.392 175.711 176.094 0.015 0.000 1.018 149 V CA -0.414 61.873 62.300 -0.021 0.000 0.841 149 V CB 1.061 32.878 31.823 -0.011 0.000 0.991 149 V HN 0.631 nan 8.190 nan 0.000 0.437 150 F N 3.808 123.849 119.950 0.152 0.000 2.380 150 F HA 0.700 5.227 4.527 0.000 0.000 0.319 150 F C 0.571 176.446 175.800 0.125 0.000 1.113 150 F CA -0.470 57.615 58.000 0.141 0.000 1.056 150 F CB 1.231 40.275 39.000 0.074 0.000 1.289 150 F HN 0.455 nan 8.300 nan 0.000 0.515 151 K N -0.400 120.148 120.400 0.246 0.000 2.536 151 K HA 0.317 4.637 4.320 0.000 0.000 0.269 151 K C -1.187 175.396 176.600 -0.028 0.000 0.965 151 K CA -1.043 55.251 56.287 0.012 0.000 0.860 151 K CB 1.708 34.153 32.500 -0.092 0.000 1.423 151 K HN 0.613 nan 8.250 nan 0.000 0.438 152 E N 2.021 122.138 120.200 -0.139 0.000 2.757 152 E HA -0.162 4.188 4.350 0.000 0.000 0.238 152 E C -0.605 175.958 176.600 -0.063 0.000 1.057 152 E CA 0.009 56.340 56.400 -0.115 0.000 0.952 152 E CB 0.176 29.775 29.700 -0.167 0.000 0.934 152 E HN 0.504 nan 8.360 nan 0.000 0.518 153 N N 5.462 124.157 118.700 -0.008 0.000 2.410 153 N HA -0.062 4.678 4.740 0.000 0.000 0.281 153 N C 0.801 176.329 175.510 0.029 0.000 1.241 153 N CA 0.047 53.119 53.050 0.037 0.000 0.998 153 N CB 0.002 38.545 38.487 0.093 0.000 1.376 153 N HN 0.651 nan 8.380 nan 0.000 0.490 154 I N 0.201 120.772 120.570 0.002 0.000 3.564 154 I HA 0.289 4.459 4.170 0.000 0.000 0.294 154 I C 0.608 176.746 176.117 0.035 0.000 1.289 154 I CA -0.403 60.897 61.300 -0.001 0.000 1.325 154 I CB -0.074 37.908 38.000 -0.031 0.000 1.039 154 I HN 0.275 nan 8.210 nan 0.000 0.474 155 A N 3.734 126.591 122.820 0.060 0.000 2.401 155 A HA 0.505 4.825 4.320 0.000 0.000 0.259 155 A C -2.239 175.432 177.584 0.144 0.000 1.103 155 A CA -1.196 50.889 52.037 0.078 0.000 0.789 155 A CB -0.491 18.553 19.000 0.073 0.000 1.035 155 A HN 0.238 nan 8.150 nan 0.000 0.491 156 P HA 0.071 nan 4.420 nan 0.000 0.275 156 P C -0.747 176.720 177.300 0.279 0.000 1.227 156 P CA -0.081 63.154 63.100 0.225 0.000 0.781 156 P CB 0.354 32.128 31.700 0.124 0.000 0.906 157 Y N 3.748 124.252 120.300 0.340 0.000 2.729 157 Y HA 0.001 4.551 4.550 0.000 0.000 0.331 157 Y C 0.136 176.145 175.900 0.182 0.000 1.208 157 Y CA 0.559 58.778 58.100 0.199 0.000 1.521 157 Y CB 0.137 38.634 38.460 0.061 0.000 1.233 157 Y HN 0.218 nan 8.280 nan 0.000 0.539 158 K N 8.185 128.328 120.400 -0.428 0.000 2.206 158 K HA 0.535 4.855 4.320 0.000 0.000 0.264 158 K C -1.307 174.997 176.600 -0.494 0.000 0.967 158 K CA -0.641 55.418 56.287 -0.379 0.000 0.844 158 K CB 1.511 33.888 32.500 -0.205 0.000 1.099 158 K HN 0.636 nan 8.250 nan 0.000 0.441 159 F N -1.072 118.555 119.950 -0.539 0.000 2.741 159 F HA 0.548 5.075 4.527 0.000 0.000 0.313 159 F C -1.377 174.280 175.800 -0.238 0.000 1.153 159 F CA -1.360 56.399 58.000 -0.402 0.000 0.931 159 F CB 1.263 39.991 39.000 -0.453 0.000 1.335 159 F HN 0.126 nan 8.300 nan 0.000 0.460 160 K N 1.227 121.585 120.400 -0.069 0.000 2.221 160 K HA 0.919 5.239 4.320 0.000 0.000 0.243 160 K C -0.749 175.900 176.600 0.082 0.000 0.968 160 K CA -0.860 55.358 56.287 -0.114 0.000 0.846 160 K CB 2.149 34.638 32.500 -0.017 0.000 1.141 160 K HN 0.951 nan 8.250 nan 0.000 0.434 161 A N 0.511 123.352 122.820 0.034 0.000 3.065 161 A HA 0.778 5.098 4.320 0.000 0.000 0.293 161 A C -1.337 176.330 177.584 0.138 0.000 1.213 161 A CA -0.559 51.603 52.037 0.209 0.000 0.667 161 A CB 1.703 20.851 19.000 0.246 0.000 1.412 161 A HN 0.518 nan 8.150 nan 0.000 0.601 162 T N 0.858 115.511 114.554 0.165 0.000 3.105 162 T HA 0.511 4.861 4.350 0.000 0.000 0.321 162 T C -0.834 173.766 174.700 -0.167 0.000 1.135 162 T CA -0.254 61.828 62.100 -0.030 0.000 1.053 162 T CB 1.052 69.904 68.868 -0.027 0.000 1.133 162 T HN 0.544 nan 8.240 nan 0.000 0.463 163 M N 2.988 122.415 119.600 -0.288 0.000 2.318 163 M HA 0.530 5.010 4.480 0.000 0.000 0.347 163 M C -1.426 174.687 176.300 -0.311 0.000 1.175 163 M CA -0.566 54.626 55.300 -0.180 0.000 1.075 163 M CB 1.065 33.555 32.600 -0.184 0.000 1.614 163 M HN 0.620 nan 8.290 nan 0.000 0.456 164 Y N 3.103 123.586 120.300 0.305 0.000 2.346 164 Y HA 0.570 5.120 4.550 0.000 0.000 0.332 164 Y C -0.654 175.471 175.900 0.376 0.000 0.985 164 Y CA -0.993 57.269 58.100 0.271 0.000 1.112 164 Y CB 0.893 39.460 38.460 0.178 0.000 1.170 164 Y HN 0.661 nan 8.280 nan 0.000 0.447 165 Y N -0.901 119.515 120.300 0.194 0.000 2.871 165 Y HA 0.786 5.336 4.550 0.000 0.000 0.331 165 Y C -1.955 173.985 175.900 0.068 0.000 1.378 165 Y CA -1.802 56.375 58.100 0.129 0.000 1.079 165 Y CB 1.642 40.177 38.460 0.126 0.000 1.441 165 Y HN 0.281 nan 8.280 nan 0.000 0.446 166 K N 1.027 121.436 120.400 0.014 0.000 2.482 166 K HA 0.233 4.553 4.320 0.000 0.000 0.251 166 K C -1.989 174.617 176.600 0.010 0.000 0.936 166 K CA -0.918 55.310 56.287 -0.098 0.000 0.791 166 K CB 2.118 34.593 32.500 -0.041 0.000 1.213 166 K HN 0.612 nan 8.250 nan 0.000 0.428 167 D N 2.932 123.315 120.400 -0.028 0.000 2.453 167 D HA 0.105 4.746 4.640 0.000 0.000 0.223 167 D C -0.349 175.976 176.300 0.042 0.000 1.183 167 D CA -0.055 53.973 54.000 0.046 0.000 0.933 167 D CB 0.875 41.697 40.800 0.037 0.000 1.038 167 D HN 0.097 nan 8.370 nan 0.000 0.513 168 V N 2.566 122.509 119.914 0.048 0.000 2.583 168 V HA 0.234 4.354 4.120 0.000 0.000 0.287 168 V C 0.767 176.915 176.094 0.091 0.000 1.051 168 V CA 0.089 62.450 62.300 0.101 0.000 1.010 168 V CB 1.541 33.457 31.823 0.156 0.000 0.988 168 V HN 0.397 nan 8.190 nan 0.000 0.478 169 T N 4.183 118.824 114.554 0.146 0.000 3.008 169 T HA 0.352 4.702 4.350 0.000 0.000 0.328 169 T C -0.492 174.328 174.700 0.200 0.000 1.020 169 T CA -0.328 61.855 62.100 0.138 0.000 1.043 169 T CB 1.152 70.092 68.868 0.120 0.000 1.010 169 T HN 0.311 nan 8.240 nan 0.000 0.466 170 V N 4.040 124.098 119.914 0.241 0.000 2.406 170 V HA 0.636 4.757 4.120 0.000 0.000 0.272 170 V C 0.389 176.592 176.094 0.182 0.000 1.043 170 V CA -0.594 61.825 62.300 0.198 0.000 0.915 170 V CB 1.177 33.073 31.823 0.122 0.000 0.988 170 V HN 0.980 nan 8.190 nan 0.000 0.466 171 S N 3.387 119.187 115.700 0.167 0.000 2.532 171 S HA 0.822 5.293 4.470 0.000 0.000 0.299 171 S C -0.452 174.234 174.600 0.144 0.000 1.105 171 S CA -0.529 57.751 58.200 0.134 0.000 1.018 171 S CB 1.778 65.037 63.200 0.098 0.000 1.021 171 S HN 1.058 nan 8.310 nan 0.000 0.483 172 Q N 1.447 121.317 119.800 0.118 0.000 2.282 172 Q HA 0.777 5.117 4.340 0.000 0.000 0.260 172 Q C -0.865 175.175 176.000 0.067 0.000 0.964 172 Q CA -0.983 54.893 55.803 0.122 0.000 0.880 172 Q CB 1.636 30.448 28.738 0.123 0.000 1.286 172 Q HN 1.043 nan 8.270 nan 0.000 0.445 173 V N 1.229 121.167 119.914 0.041 0.000 2.709 173 V HA 0.647 4.767 4.120 0.000 0.000 0.308 173 V C -1.218 174.827 176.094 -0.082 0.000 1.062 173 V CA -0.992 61.250 62.300 -0.098 0.000 0.901 173 V CB 1.857 33.493 31.823 -0.312 0.000 1.003 173 V HN 1.003 nan 8.190 nan 0.000 0.425 174 W N 5.062 126.203 121.300 -0.265 0.000 2.391 174 W HA 0.734 5.394 4.660 0.000 0.000 0.311 174 W C -1.244 175.107 176.519 -0.280 0.000 1.087 174 W CA -0.776 56.473 57.345 -0.159 0.000 1.209 174 W CB 1.152 30.570 29.460 -0.069 0.000 1.273 174 W HN 0.415 nan 8.180 nan 0.000 0.482 175 F N 5.172 124.690 119.950 -0.721 0.000 2.415 175 F HA 0.665 5.192 4.527 0.000 0.000 0.348 175 F C 0.960 176.052 175.800 -1.179 0.000 1.119 175 F CA -0.251 57.353 58.000 -0.659 0.000 1.069 175 F CB 1.314 40.073 39.000 -0.401 0.000 1.124 175 F HN 0.417 nan 8.300 nan 0.000 0.472 176 G N -0.474 107.996 108.800 -0.550 0.000 2.816 176 G HA2 0.529 4.489 3.960 0.000 0.000 0.288 176 G HA3 0.529 4.489 3.960 0.000 0.000 0.288 176 G C -1.346 173.518 174.900 -0.059 0.000 1.334 176 G CA -0.691 44.182 45.100 -0.379 0.000 0.978 176 G HN 0.944 nan 8.290 nan 0.000 0.493 177 H N -2.030 117.047 119.070 0.010 0.000 2.899 177 H HA 0.645 5.202 4.556 0.000 0.000 0.303 177 H C 1.522 176.881 175.328 0.051 0.000 1.042 177 H CA 1.163 57.227 56.048 0.027 0.000 1.479 177 H CB -0.252 29.530 29.762 0.033 0.000 1.493 177 H HN 2.229 nan 8.280 nan 0.000 0.534 178 R N 0.498 121.023 120.500 0.042 0.000 3.953 178 R HA -0.083 4.257 4.340 0.000 0.000 0.340 178 R C 0.875 177.211 176.300 0.060 0.000 1.195 178 R CA 2.127 58.254 56.100 0.046 0.000 0.929 178 R CB -2.802 27.522 30.300 0.040 0.000 1.402 178 R HN 2.584 nan 8.270 nan 0.000 0.540 179 S N -3.194 112.551 115.700 0.075 0.000 2.611 179 S HA 0.856 5.326 4.470 0.000 0.000 0.268 179 S C -0.631 174.020 174.600 0.084 0.000 1.156 179 S CA 0.082 58.334 58.200 0.087 0.000 0.817 179 S CB 2.159 65.428 63.200 0.115 0.000 1.122 179 S HN 1.342 nan 8.310 nan 0.000 0.466 180 S N 0.473 116.207 115.700 0.056 0.000 2.535 180 S HA 0.616 5.086 4.470 0.000 0.000 0.272 180 S C -1.847 172.750 174.600 -0.005 0.000 1.149 180 S CA -0.732 57.447 58.200 -0.036 0.000 0.888 180 S CB 1.856 64.939 63.200 -0.195 0.000 1.110 180 S HN 0.855 nan 8.310 nan 0.000 0.463 181 Q N 1.095 120.910 119.800 0.025 0.000 2.331 181 Q HA 0.711 5.051 4.340 0.000 0.000 0.272 181 Q C -1.044 174.953 176.000 -0.005 0.000 1.062 181 Q CA -0.845 54.974 55.803 0.026 0.000 0.806 181 Q CB 1.017 29.792 28.738 0.061 0.000 1.312 181 Q HN 0.730 nan 8.270 nan 0.000 0.431 182 F N 3.656 123.595 119.950 -0.019 0.000 2.578 182 F HA 0.160 4.687 4.527 0.000 0.000 0.376 182 F C 0.642 176.451 175.800 0.014 0.000 1.085 182 F CA 0.481 58.475 58.000 -0.010 0.000 1.260 182 F CB 0.283 39.282 39.000 -0.002 0.000 1.095 182 F HN 0.914 nan 8.300 nan 0.000 0.573 183 M N 2.458 122.079 119.600 0.033 0.000 2.516 183 M HA 0.384 4.864 4.480 0.000 0.000 0.259 183 M C 0.915 177.239 176.300 0.040 0.000 1.146 183 M CA 1.253 56.578 55.300 0.042 0.000 1.122 183 M CB 0.649 33.299 32.600 0.084 0.000 1.341 183 M HN 1.019 nan 8.290 nan 0.000 0.478 184 G N 1.491 110.322 108.800 0.052 0.000 1.882 184 G HA2 0.254 4.214 3.960 0.000 0.000 0.256 184 G HA3 0.254 4.214 3.960 0.000 0.000 0.256 184 G C -1.265 173.691 174.900 0.093 0.000 2.065 184 G CA -0.778 44.362 45.100 0.066 0.000 0.882 184 G HN 0.167 nan 8.290 nan 0.000 0.574 185 I N 2.150 122.774 120.570 0.092 0.000 2.342 185 I HA 0.406 4.576 4.170 0.000 0.000 0.291 185 I C -0.469 175.747 176.117 0.165 0.000 1.010 185 I CA -0.684 60.682 61.300 0.111 0.000 1.308 185 I CB 1.371 39.410 38.000 0.066 0.000 1.400 185 I HN 0.434 nan 8.210 nan 0.000 0.488 186 F N 6.920 126.887 119.950 0.028 0.000 2.325 186 F HA 0.403 4.930 4.527 0.000 0.000 0.369 186 F C -0.119 175.708 175.800 0.044 0.000 1.095 186 F CA -0.420 57.598 58.000 0.030 0.000 1.082 186 F CB 0.599 39.608 39.000 0.016 0.000 1.289 186 F HN 0.429 nan 8.300 nan 0.000 0.462 187 E N 3.960 123.907 120.200 -0.422 0.000 2.191 187 E HA 0.393 4.744 4.350 0.000 0.000 0.278 187 E C -1.392 174.894 176.600 -0.522 0.000 0.972 187 E CA -0.785 55.413 56.400 -0.338 0.000 0.804 187 E CB 1.738 31.347 29.700 -0.152 0.000 1.110 187 E HN 0.519 nan 8.360 nan 0.000 0.394 188 D N 0.962 121.170 120.400 -0.320 0.000 2.655 188 D HA 0.242 4.882 4.640 0.000 0.000 0.229 188 D C -1.424 174.830 176.300 -0.077 0.000 1.229 188 D CA -0.710 53.152 54.000 -0.231 0.000 0.807 188 D CB 1.234 41.904 40.800 -0.217 0.000 1.514 188 D HN 0.235 nan 8.370 nan 0.000 0.444 189 R N 1.510 121.984 120.500 -0.044 0.000 2.288 189 R HA 0.799 5.139 4.340 0.000 0.000 0.326 189 R C -0.808 175.466 176.300 -0.043 0.000 0.959 189 R CA -0.903 55.222 56.100 0.042 0.000 0.834 189 R CB 1.777 32.108 30.300 0.052 0.000 1.157 189 R HN 0.340 nan 8.270 nan 0.000 0.470 190 A N 4.733 127.466 122.820 -0.144 0.000 2.337 190 A HA 0.704 5.024 4.320 0.000 0.000 0.331 190 A C -2.483 175.047 177.584 -0.091 0.000 1.137 190 A CA -2.153 49.627 52.037 -0.430 0.000 0.807 190 A CB 1.028 19.214 19.000 -1.357 0.000 1.250 190 A HN 0.350 nan 8.150 nan 0.000 0.468 191 P HA 0.235 nan 4.420 nan 0.000 0.272 191 P C -0.687 176.684 177.300 0.119 0.000 1.223 191 P CA -0.109 63.063 63.100 0.119 0.000 0.784 191 P CB 0.657 32.403 31.700 0.077 0.000 0.923 192 V N 5.351 125.372 119.914 0.180 0.000 2.334 192 V HA 0.199 4.319 4.120 0.000 0.000 0.267 192 V C -1.945 174.208 176.094 0.098 0.000 1.040 192 V CA -1.804 60.572 62.300 0.128 0.000 0.866 192 V CB 0.486 32.398 31.823 0.149 0.000 1.019 192 V HN 0.555 nan 8.190 nan 0.000 0.468 193 P HA -0.102 nan 4.420 nan 0.000 0.266 193 P C 0.725 178.075 177.300 0.083 0.000 1.180 193 P CA 0.234 63.393 63.100 0.099 0.000 0.765 193 P CB 0.431 32.182 31.700 0.085 0.000 0.806 194 F N 3.902 123.834 119.950 -0.031 0.000 2.043 194 F HA -0.320 4.207 4.527 0.000 0.000 0.297 194 F C 2.026 177.783 175.800 -0.071 0.000 1.118 194 F CA 2.504 60.462 58.000 -0.070 0.000 1.202 194 F CB -0.760 38.202 39.000 -0.064 0.000 0.965 194 F HN 0.437 nan 8.300 nan 0.000 0.482 195 E N 0.215 120.345 120.200 -0.116 0.000 2.160 195 E HA -0.277 4.073 4.350 0.000 0.000 0.195 195 E C 1.932 178.411 176.600 -0.201 0.000 0.991 195 E CA 1.838 58.109 56.400 -0.214 0.000 0.810 195 E CB -1.119 28.566 29.700 -0.025 0.000 0.742 195 E HN 0.711 nan 8.360 nan 0.000 0.466 196 E N 0.325 120.451 120.200 -0.124 0.000 2.347 196 E HA -0.089 4.261 4.350 0.000 0.000 0.196 196 E C 1.488 178.000 176.600 -0.147 0.000 1.008 196 E CA 0.880 57.223 56.400 -0.095 0.000 0.852 196 E CB 0.232 29.911 29.700 -0.035 0.000 0.783 196 E HN 0.275 nan 8.360 nan 0.000 0.505 197 V N 0.839 120.602 119.914 -0.251 0.000 2.599 197 V HA -0.140 3.980 4.120 0.000 0.000 0.245 197 V C 2.113 178.026 176.094 -0.303 0.000 1.046 197 V CA 0.699 62.795 62.300 -0.341 0.000 1.065 197 V CB -0.086 31.422 31.823 -0.525 0.000 0.703 197 V HN 0.327 nan 8.190 nan 0.000 0.464 198 I N 0.394 120.735 120.570 -0.380 0.000 2.339 198 I HA -0.061 4.109 4.170 0.000 0.000 0.245 198 I C 1.964 177.991 176.117 -0.150 0.000 1.096 198 I CA 1.451 62.587 61.300 -0.273 0.000 1.408 198 I CB -0.989 36.746 38.000 -0.442 0.000 1.092 198 I HN 0.326 nan 8.210 nan 0.000 0.423 199 D N 0.433 120.738 120.400 -0.158 0.000 2.305 199 D HA -0.033 4.607 4.640 0.000 0.000 0.206 199 D C 2.012 178.268 176.300 -0.074 0.000 0.974 199 D CA 0.630 54.572 54.000 -0.095 0.000 0.871 199 D CB 0.489 41.240 40.800 -0.082 0.000 0.947 199 D HN 0.252 nan 8.370 nan 0.000 0.516 200 K N 0.344 120.694 120.400 -0.083 0.000 2.267 200 K HA 0.246 4.566 4.320 0.000 0.000 0.213 200 K C 2.320 178.884 176.600 -0.060 0.000 1.060 200 K CA 0.032 56.282 56.287 -0.061 0.000 0.935 200 K CB -0.241 32.228 32.500 -0.051 0.000 1.096 200 K HN 0.089 nan 8.250 nan 0.000 0.468 201 I N 2.055 122.586 120.570 -0.065 0.000 2.233 201 I HA -0.223 3.947 4.170 0.000 0.000 0.243 201 I C 2.306 178.392 176.117 -0.051 0.000 1.093 201 I CA 1.192 62.462 61.300 -0.050 0.000 1.380 201 I CB -0.410 37.582 38.000 -0.013 0.000 1.067 201 I HN 0.164 nan 8.210 nan 0.000 0.413 202 N N 1.504 120.182 118.700 -0.037 0.000 2.084 202 N HA -0.160 4.580 4.740 0.000 0.000 0.190 202 N C 1.773 177.253 175.510 -0.051 0.000 1.030 202 N CA 2.141 55.187 53.050 -0.008 0.000 0.849 202 N CB -0.130 38.397 38.487 0.066 0.000 1.012 202 N HN 0.332 nan 8.380 nan 0.000 0.423 203 A N 0.003 122.789 122.820 -0.056 0.000 1.874 203 A HA 0.018 4.339 4.320 0.000 0.000 0.214 203 A C 1.958 179.503 177.584 -0.065 0.000 1.189 203 A CA 1.389 53.389 52.037 -0.063 0.000 0.615 203 A CB -0.159 18.807 19.000 -0.056 0.000 0.830 203 A HN 0.410 nan 8.150 nan 0.000 0.443 204 K N -2.095 118.268 120.400 -0.062 0.000 2.367 204 K HA 0.320 4.640 4.320 0.000 0.000 0.195 204 K C 0.720 177.276 176.600 -0.074 0.000 1.060 204 K CA 0.452 56.703 56.287 -0.061 0.000 1.022 204 K CB 0.487 32.958 32.500 -0.048 0.000 0.894 204 K HN 0.641 nan 8.250 nan 0.000 0.540 205 G N 2.364 111.113 108.800 -0.086 0.000 2.256 205 G HA2 -0.212 3.748 3.960 0.000 0.000 0.272 205 G HA3 -0.212 3.748 3.960 0.000 0.000 0.272 205 G C -0.008 174.837 174.900 -0.091 0.000 1.076 205 G CA 0.322 45.352 45.100 -0.117 0.000 0.882 205 G HN 0.231 nan 8.290 nan 0.000 0.497 206 V N -3.954 115.922 119.914 -0.064 0.000 3.155 206 V HA 0.938 5.058 4.120 0.000 0.000 0.313 206 V C 0.284 176.358 176.094 -0.032 0.000 1.162 206 V CA -0.898 61.375 62.300 -0.045 0.000 1.048 206 V CB 2.030 33.832 31.823 -0.035 0.000 1.092 206 V HN 1.341 nan 8.190 nan 0.000 0.447 207 c N 1.019 119.606 118.600 -0.022 0.000 3.090 207 c HA 0.600 5.170 4.570 0.000 0.000 0.347 207 c C -0.100 173.987 174.090 -0.006 0.000 1.147 207 c CA -0.573 55.749 56.329 -0.013 0.000 1.305 207 c CB 1.702 44.207 42.510 -0.008 0.000 1.692 207 c HN 1.137 nan 8.230 nan 0.000 0.506 208 R N 2.472 122.973 120.500 0.002 0.000 2.590 208 R HA 0.231 4.571 4.340 0.000 0.000 0.274 208 R C 1.214 177.523 176.300 0.016 0.000 1.061 208 R CA 0.631 56.740 56.100 0.015 0.000 1.081 208 R CB 0.567 30.876 30.300 0.016 0.000 0.984 208 R HN 0.882 nan 8.270 nan 0.000 0.448 209 S N -0.413 115.314 115.700 0.044 0.000 2.754 209 S HA -0.028 4.443 4.470 0.000 0.000 0.223 209 S C 0.458 175.108 174.600 0.082 0.000 0.951 209 S CA -0.168 58.073 58.200 0.069 0.000 0.954 209 S CB -0.314 62.968 63.200 0.136 0.000 0.780 209 S HN 0.709 nan 8.310 nan 0.000 0.509 210 T N -1.690 112.871 114.554 0.010 0.000 2.900 210 T HA 0.806 5.156 4.350 0.000 0.000 0.295 210 T C -0.836 173.821 174.700 -0.071 0.000 1.044 210 T CA -0.692 61.342 62.100 -0.110 0.000 0.995 210 T CB 1.826 70.541 68.868 -0.254 0.000 1.072 210 T HN 0.418 nan 8.240 nan 0.000 0.473 211 A N 2.154 124.932 122.820 -0.070 0.000 2.319 211 A HA 0.754 5.074 4.320 0.000 0.000 0.310 211 A C -0.382 177.283 177.584 0.135 0.000 1.152 211 A CA -0.876 51.211 52.037 0.085 0.000 0.783 211 A CB 1.064 20.165 19.000 0.168 0.000 1.184 211 A HN 0.867 nan 8.150 nan 0.000 0.474 212 K N 2.518 123.012 120.400 0.157 0.000 2.450 212 K HA 0.643 4.963 4.320 0.000 0.000 0.257 212 K C -1.642 175.091 176.600 0.221 0.000 0.953 212 K CA -0.483 55.860 56.287 0.094 0.000 0.844 212 K CB 0.988 33.493 32.500 0.008 0.000 1.103 212 K HN 0.805 nan 8.250 nan 0.000 0.429 213 Y N -0.578 119.735 120.300 0.021 0.000 2.656 213 Y HA 0.477 5.027 4.550 0.000 0.000 0.334 213 Y C -1.605 174.319 175.900 0.040 0.000 1.179 213 Y CA -1.459 56.663 58.100 0.037 0.000 1.050 213 Y CB 0.872 39.364 38.460 0.052 0.000 1.308 213 Y HN 0.076 nan 8.280 nan 0.000 0.456 214 V N 2.955 122.940 119.914 0.119 0.000 2.432 214 V HA 0.742 4.862 4.120 0.000 0.000 0.275 214 V C -0.879 175.290 176.094 0.124 0.000 1.043 214 V CA -0.138 62.185 62.300 0.039 0.000 0.925 214 V CB 0.983 32.841 31.823 0.057 0.000 0.985 214 V HN 0.860 nan 8.190 nan 0.000 0.466 215 R N 5.223 125.747 120.500 0.039 0.000 2.533 215 R HA 0.467 4.807 4.340 0.000 0.000 0.288 215 R C -0.066 176.273 176.300 0.066 0.000 1.039 215 R CA -0.230 55.945 56.100 0.124 0.000 0.909 215 R CB 0.698 31.141 30.300 0.239 0.000 1.195 215 R HN 0.786 nan 8.270 nan 0.000 0.438 216 N N 3.595 122.341 118.700 0.076 0.000 2.727 216 N HA -0.226 4.514 4.740 0.000 0.000 0.249 216 N C -1.175 174.350 175.510 0.025 0.000 1.048 216 N CA 1.421 54.500 53.050 0.049 0.000 0.714 216 N CB -1.064 37.452 38.487 0.049 0.000 0.959 216 N HN 0.844 nan 8.380 nan 0.000 0.544 217 N N -1.962 116.753 118.700 0.024 0.000 2.726 217 N HA -0.194 4.546 4.740 0.000 0.000 0.253 217 N C -1.028 174.482 175.510 -0.001 0.000 1.059 217 N CA 1.092 54.149 53.050 0.013 0.000 0.701 217 N CB -0.977 37.516 38.487 0.011 0.000 0.899 217 N HN 0.565 nan 8.380 nan 0.000 0.548 218 L N -0.838 120.376 121.223 -0.014 0.000 2.789 218 L HA 0.274 4.614 4.340 0.000 0.000 0.258 218 L C -0.657 176.172 176.870 -0.069 0.000 0.966 218 L CA -0.518 54.303 54.840 -0.033 0.000 0.916 218 L CB 1.575 43.613 42.059 -0.036 0.000 1.475 218 L HN 0.173 nan 8.230 nan 0.000 0.418 219 E N 1.921 122.081 120.200 -0.067 0.000 1.932 219 E HA 0.217 4.567 4.350 0.000 0.000 0.259 219 E C -0.737 175.780 176.600 -0.139 0.000 1.099 219 E CA -0.127 56.215 56.400 -0.096 0.000 0.970 219 E CB 0.453 30.126 29.700 -0.045 0.000 1.143 219 E HN 0.642 nan 8.360 nan 0.000 0.441 220 T N 2.271 116.668 114.554 -0.261 0.000 2.907 220 T HA 0.196 4.546 4.350 0.000 0.000 0.298 220 T C -0.314 174.214 174.700 -0.287 0.000 1.017 220 T CA -0.010 61.927 62.100 -0.271 0.000 1.118 220 T CB 0.970 69.633 68.868 -0.342 0.000 0.948 220 T HN 0.254 nan 8.240 nan 0.000 0.531 221 T N 3.752 118.231 114.554 -0.126 0.000 2.879 221 T HA 0.690 5.040 4.350 0.000 0.000 0.290 221 T C -0.748 173.904 174.700 -0.080 0.000 0.993 221 T CA -0.629 61.395 62.100 -0.126 0.000 0.975 221 T CB 1.393 70.208 68.868 -0.087 0.000 0.981 221 T HN 0.831 nan 8.240 nan 0.000 0.439 222 A N 3.003 125.745 122.820 -0.130 0.000 2.342 222 A HA 0.870 5.190 4.320 0.000 0.000 0.323 222 A C -1.182 176.279 177.584 -0.205 0.000 1.125 222 A CA -0.657 51.380 52.037 0.002 0.000 0.785 222 A CB 0.535 19.630 19.000 0.159 0.000 1.221 222 A HN 0.718 nan 8.150 nan 0.000 0.463 223 F N 1.189 121.218 119.950 0.132 0.000 2.449 223 F HA 0.333 4.860 4.527 0.000 0.000 0.342 223 F C 0.517 176.380 175.800 0.106 0.000 1.127 223 F CA -0.425 57.636 58.000 0.101 0.000 0.975 223 F CB 1.387 40.411 39.000 0.040 0.000 1.146 223 F HN 0.761 nan 8.300 nan 0.000 0.444 224 H N 4.652 123.812 119.070 0.150 0.000 3.034 224 H HA 0.162 4.718 4.556 0.000 0.000 0.324 224 H C 0.846 176.138 175.328 -0.060 0.000 1.015 224 H CA 0.545 56.629 56.048 0.060 0.000 1.429 224 H CB 0.458 30.245 29.762 0.041 0.000 1.429 224 H HN 0.588 nan 8.280 nan 0.000 0.585 225 R N 2.640 122.664 120.500 -0.794 0.000 4.016 225 R HA -0.222 4.119 4.340 0.000 0.000 0.385 225 R C -0.414 175.503 176.300 -0.638 0.000 1.158 225 R CA 1.017 56.370 56.100 -1.245 0.000 1.117 225 R CB -2.130 27.631 30.300 -0.899 0.000 1.635 225 R HN 0.993 nan 8.270 nan 0.000 0.560 226 D N 0.268 120.567 120.400 -0.167 0.000 2.708 226 D HA -0.180 4.460 4.640 0.000 0.000 0.236 226 D C -0.133 176.097 176.300 -0.117 0.000 1.146 226 D CA 1.909 55.911 54.000 0.004 0.000 0.662 226 D CB -0.587 40.258 40.800 0.076 0.000 1.059 226 D HN 0.490 nan 8.370 nan 0.000 0.428 227 D N -1.419 118.935 120.400 -0.077 0.000 2.433 227 D HA 0.313 4.953 4.640 0.000 0.000 0.236 227 D C -0.111 176.195 176.300 0.010 0.000 1.026 227 D CA -0.568 53.388 54.000 -0.073 0.000 0.884 227 D CB 0.887 41.662 40.800 -0.041 0.000 1.384 227 D HN 0.031 nan 8.370 nan 0.000 0.477 228 H N 0.647 119.705 119.070 -0.020 0.000 3.119 228 H HA -0.025 4.531 4.556 0.000 0.000 0.334 228 H C 0.218 175.641 175.328 0.158 0.000 1.042 228 H CA 0.929 57.007 56.048 0.050 0.000 1.354 228 H CB 0.496 30.267 29.762 0.015 0.000 1.285 228 H HN 0.315 nan 8.280 nan 0.000 0.601 229 E N 1.928 122.350 120.200 0.369 0.000 2.493 229 E HA -0.041 4.309 4.350 0.000 0.000 0.255 229 E C -0.547 176.157 176.600 0.175 0.000 0.999 229 E CA 0.009 56.568 56.400 0.266 0.000 0.934 229 E CB 0.352 30.188 29.700 0.228 0.000 0.940 229 E HN 0.615 nan 8.360 nan 0.000 0.473 230 T N 1.948 116.585 114.554 0.138 0.000 2.848 230 T HA 0.284 4.634 4.350 0.000 0.000 0.285 230 T C -0.690 174.050 174.700 0.066 0.000 0.995 230 T CA -1.180 60.976 62.100 0.093 0.000 0.970 230 T CB 1.398 70.319 68.868 0.088 0.000 0.976 230 T HN 0.228 nan 8.240 nan 0.000 0.441 231 D N 3.642 124.067 120.400 0.043 0.000 2.348 231 D HA 0.401 5.041 4.640 0.000 0.000 0.253 231 D C -0.083 176.224 176.300 0.013 0.000 1.161 231 D CA 0.146 54.160 54.000 0.023 0.000 0.876 231 D CB 0.790 41.597 40.800 0.012 0.000 1.160 231 D HN 0.594 nan 8.370 nan 0.000 0.459 232 M N 1.311 120.912 119.600 0.002 0.000 2.190 232 M HA 0.265 4.745 4.480 0.000 0.000 0.312 232 M C 0.172 176.457 176.300 -0.025 0.000 0.990 232 M CA -0.877 54.417 55.300 -0.009 0.000 0.927 232 M CB 2.263 34.854 32.600 -0.015 0.000 1.571 232 M HN 0.208 nan 8.290 nan 0.000 0.427 233 E N 2.750 122.933 120.200 -0.028 0.000 2.422 233 E HA 0.316 4.666 4.350 0.000 0.000 0.260 233 E C -1.355 175.214 176.600 -0.051 0.000 1.108 233 E CA -0.228 56.147 56.400 -0.042 0.000 0.943 233 E CB 0.864 30.540 29.700 -0.040 0.000 0.961 233 E HN 0.592 nan 8.360 nan 0.000 0.443 234 L N 2.923 124.107 121.223 -0.064 0.000 2.360 234 L HA 0.402 4.742 4.340 0.000 0.000 0.271 234 L C -0.206 176.654 176.870 -0.015 0.000 1.057 234 L CA -0.457 54.352 54.840 -0.052 0.000 0.803 234 L CB 1.126 43.156 42.059 -0.048 0.000 1.207 234 L HN 0.547 nan 8.230 nan 0.000 0.445 235 K N 1.417 121.807 120.400 -0.017 0.000 2.422 235 K HA 0.637 4.957 4.320 0.000 0.000 0.251 235 K C -2.923 173.748 176.600 0.118 0.000 0.933 235 K CA -2.168 54.143 56.287 0.040 0.000 0.798 235 K CB 1.746 34.177 32.500 -0.114 0.000 1.238 235 K HN 0.072 nan 8.250 nan 0.000 0.428 236 P HA -0.103 nan 4.420 nan 0.000 0.266 236 P C -0.371 176.864 177.300 -0.108 0.000 1.193 236 P CA 0.193 63.194 63.100 -0.164 0.000 0.770 236 P CB 0.558 32.201 31.700 -0.095 0.000 0.836 237 A N 3.438 126.170 122.820 -0.146 0.000 2.364 237 A HA 0.088 4.408 4.320 0.000 0.000 0.258 237 A C 0.834 178.417 177.584 -0.001 0.000 1.131 237 A CA 0.205 52.261 52.037 0.032 0.000 0.800 237 A CB -0.277 18.683 19.000 -0.067 0.000 1.086 237 A HN 0.556 nan 8.150 nan 0.000 0.508 238 N N -0.576 118.131 118.700 0.011 0.000 2.452 238 N HA 0.448 5.188 4.740 0.000 0.000 0.296 238 N C 0.313 175.801 175.510 -0.037 0.000 1.304 238 N CA 0.333 53.380 53.050 -0.004 0.000 0.956 238 N CB -0.384 38.106 38.487 0.004 0.000 1.106 238 N HN 0.838 nan 8.380 nan 0.000 0.555 239 A N -0.402 122.400 122.820 -0.030 0.000 2.580 239 A HA 0.387 4.707 4.320 0.000 0.000 0.244 239 A C -0.082 177.472 177.584 -0.049 0.000 1.045 239 A CA 0.456 52.471 52.037 -0.036 0.000 0.761 239 A CB -0.844 18.140 19.000 -0.026 0.000 0.962 239 A HN 0.643 nan 8.150 nan 0.000 0.512 240 A N 3.437 126.223 122.820 -0.058 0.000 2.872 240 A HA 0.556 4.876 4.320 0.000 0.000 0.305 240 A C 0.165 177.711 177.584 -0.063 0.000 1.171 240 A CA 0.159 52.156 52.037 -0.067 0.000 0.782 240 A CB -0.161 18.785 19.000 -0.091 0.000 1.329 240 A HN 1.628 nan 8.150 nan 0.000 0.432 241 T N -0.168 114.355 114.554 -0.051 0.000 2.834 241 T HA 0.467 4.817 4.350 0.000 0.000 0.298 241 T C 0.537 175.207 174.700 -0.050 0.000 0.966 241 T CA -0.189 61.884 62.100 -0.046 0.000 1.141 241 T CB 0.101 68.947 68.868 -0.036 0.000 0.905 241 T HN 0.803 nan 8.240 nan 0.000 0.535 242 R N -0.120 120.350 120.500 -0.050 0.000 3.336 242 R HA -0.140 4.200 4.340 0.000 0.000 0.260 242 R C -0.088 176.174 176.300 -0.064 0.000 1.032 242 R CA 0.895 56.964 56.100 -0.052 0.000 0.693 242 R CB -2.754 27.518 30.300 -0.046 0.000 1.134 242 R HN 1.087 nan 8.270 nan 0.000 0.433 243 T N -3.186 111.324 114.554 -0.074 0.000 2.912 243 T HA 0.519 4.869 4.350 0.000 0.000 0.299 243 T C 0.457 175.096 174.700 -0.102 0.000 1.052 243 T CA -0.240 61.807 62.100 -0.089 0.000 0.996 243 T CB 2.075 70.887 68.868 -0.094 0.000 1.070 243 T HN 0.234 nan 8.240 nan 0.000 0.465 244 S N 3.038 118.674 115.700 -0.106 0.000 2.598 244 S HA 0.374 4.844 4.470 0.000 0.000 0.256 244 S C 0.495 174.999 174.600 -0.160 0.000 1.350 244 S CA -0.960 57.172 58.200 -0.112 0.000 0.984 244 S CB 0.069 63.208 63.200 -0.102 0.000 0.930 244 S HN 0.875 nan 8.310 nan 0.000 0.577 245 R N 0.073 120.460 120.500 -0.189 0.000 2.707 245 R HA 0.579 4.919 4.340 0.000 0.000 0.270 245 R C 0.421 176.456 176.300 -0.442 0.000 1.083 245 R CA 0.133 56.004 56.100 -0.380 0.000 1.182 245 R CB 0.175 30.215 30.300 -0.433 0.000 1.084 245 R HN 0.902 nan 8.270 nan 0.000 0.528 246 G N 0.419 108.761 108.800 -0.763 0.000 2.691 246 G HA2 0.388 4.348 3.960 0.000 0.000 0.298 246 G HA3 0.388 4.348 3.960 0.000 0.000 0.298 246 G C -1.733 172.825 174.900 -0.569 0.000 1.471 246 G CA -0.706 44.118 45.100 -0.460 0.000 0.912 246 G HN 0.407 nan 8.290 nan 0.000 0.553 247 W N -0.073 121.240 121.300 0.022 0.000 2.967 247 W HA 0.723 5.383 4.660 0.000 0.000 0.342 247 W C 0.181 176.744 176.519 0.072 0.000 1.162 247 W CA -0.384 56.971 57.345 0.017 0.000 1.085 247 W CB 2.446 31.886 29.460 -0.032 0.000 1.460 247 W HN 1.024 nan 8.180 nan 0.000 0.584 248 H N -3.286 115.887 119.070 0.172 0.000 2.904 248 H HA 0.336 4.892 4.556 0.000 0.000 0.290 248 H C -0.081 175.257 175.328 0.016 0.000 1.437 248 H CA -0.043 56.022 56.048 0.029 0.000 1.147 248 H CB 1.149 30.890 29.762 -0.036 0.000 1.824 248 H HN 0.213 nan 8.280 nan 0.000 0.505 249 T N -2.617 111.964 114.554 0.044 0.000 3.480 249 T HA 0.195 4.545 4.350 0.000 0.000 0.229 249 T C 0.625 175.338 174.700 0.021 0.000 0.944 249 T CA 0.643 62.720 62.100 -0.038 0.000 1.388 249 T CB -0.729 68.098 68.868 -0.068 0.000 1.180 249 T HN 0.586 nan 8.240 nan 0.000 0.414 250 T N 3.162 117.700 114.554 -0.026 0.000 2.903 250 T HA 0.277 4.627 4.350 0.000 0.000 0.314 250 T C 0.491 175.279 174.700 0.146 0.000 1.078 250 T CA 0.469 62.538 62.100 -0.053 0.000 1.114 250 T CB 0.486 69.209 68.868 -0.241 0.000 0.987 250 T HN 0.731 nan 8.240 nan 0.000 0.548 251 D N 0.410 120.891 120.400 0.136 0.000 2.516 251 D HA 0.145 4.785 4.640 0.000 0.000 0.241 251 D C -0.050 176.312 176.300 0.103 0.000 1.246 251 D CA -0.060 54.022 54.000 0.137 0.000 0.808 251 D CB 0.024 40.938 40.800 0.190 0.000 1.147 251 D HN 0.331 nan 8.370 nan 0.000 0.527 252 L N 0.662 121.970 121.223 0.141 0.000 2.445 252 L HA 0.407 4.747 4.340 0.000 0.000 0.262 252 L C -0.374 176.618 176.870 0.203 0.000 0.974 252 L CA -1.120 53.810 54.840 0.150 0.000 0.822 252 L CB 2.484 44.635 42.059 0.153 0.000 1.339 252 L HN -0.307 nan 8.230 nan 0.000 0.409 253 K N 1.297 121.794 120.400 0.163 0.000 2.295 253 K HA 0.204 4.524 4.320 0.000 0.000 0.270 253 K C -0.892 175.848 176.600 0.234 0.000 1.011 253 K CA -0.277 56.121 56.287 0.185 0.000 0.953 253 K CB 0.876 33.447 32.500 0.119 0.000 0.956 253 K HN 0.351 nan 8.250 nan 0.000 0.477 254 Y N 2.612 122.975 120.300 0.106 0.000 2.331 254 Y HA 0.251 4.801 4.550 0.000 0.000 0.338 254 Y C -0.751 175.206 175.900 0.094 0.000 0.976 254 Y CA -0.825 57.316 58.100 0.070 0.000 1.137 254 Y CB 0.771 39.235 38.460 0.008 0.000 1.172 254 Y HN 0.494 nan 8.280 nan 0.000 0.478 255 N N 7.067 125.503 118.700 -0.441 0.000 2.272 255 N HA 0.424 5.164 4.740 0.000 0.000 0.305 255 N C -2.927 172.309 175.510 -0.456 0.000 1.103 255 N CA -2.043 50.819 53.050 -0.313 0.000 0.791 255 N CB 1.432 39.855 38.487 -0.107 0.000 1.356 255 N HN 0.388 nan 8.380 nan 0.000 0.486 256 P HA -0.010 nan 4.420 nan 0.000 0.266 256 P C 0.082 177.419 177.300 0.063 0.000 1.193 256 P CA 0.186 63.253 63.100 -0.055 0.000 0.770 256 P CB 0.528 32.308 31.700 0.132 0.000 0.836 257 S N 1.584 117.266 115.700 -0.029 0.000 2.614 257 S HA 0.262 4.732 4.470 0.000 0.000 0.265 257 S C 0.339 174.708 174.600 -0.385 0.000 1.303 257 S CA -0.589 57.556 58.200 -0.091 0.000 1.000 257 S CB 0.256 63.395 63.200 -0.102 0.000 0.935 257 S HN 0.320 nan 8.310 nan 0.000 0.551 258 R N 1.282 121.472 120.500 -0.516 0.000 2.638 258 R HA 0.386 4.726 4.340 0.000 0.000 0.268 258 R C -0.314 175.358 176.300 -1.046 0.000 1.006 258 R CA 0.811 56.269 56.100 -1.071 0.000 1.088 258 R CB -0.372 29.655 30.300 -0.456 0.000 0.950 258 R HN 0.462 nan 8.270 nan 0.000 0.419 259 V N 1.384 120.483 119.914 -1.358 0.000 3.195 259 V HA 0.542 4.662 4.120 0.000 0.000 0.311 259 V C -1.478 174.366 176.094 -0.417 0.000 1.669 259 V CA 0.076 61.991 62.300 -0.641 0.000 0.971 259 V CB 1.639 33.200 31.823 -0.437 0.000 1.007 259 V HN 1.007 nan 8.190 nan 0.000 0.485 265 Y N 0.600 120.942 120.300 0.071 0.000 2.630 265 Y HA 0.910 5.461 4.550 0.000 0.000 0.337 265 Y C -0.507 175.442 175.900 0.081 0.000 1.051 265 Y CA -1.309 56.835 58.100 0.074 0.000 1.121 265 Y CB 1.778 40.288 38.460 0.083 0.000 1.299 265 Y HN 0.534 nan 8.280 nan 0.000 0.498 266 G N 0.701 109.789 108.800 0.480 0.000 2.744 266 G HA2 0.489 4.449 3.960 0.000 0.000 0.286 266 G HA3 0.489 4.449 3.960 0.000 0.000 0.286 266 G C -1.321 173.868 174.900 0.482 0.000 1.497 266 G CA -0.683 44.654 45.100 0.394 0.000 1.070 266 G HN 0.976 nan 8.290 nan 0.000 0.539 267 T N -0.438 114.466 114.554 0.584 0.000 2.829 267 T HA 0.750 5.100 4.350 0.000 0.000 0.282 267 T C 0.065 174.985 174.700 0.367 0.000 0.990 267 T CA -0.500 61.837 62.100 0.395 0.000 1.028 267 T CB 1.822 70.896 68.868 0.343 0.000 0.951 267 T HN 0.310 nan 8.240 nan 0.000 0.460 268 T N 2.187 116.935 114.554 0.324 0.000 2.885 268 T HA 0.624 4.974 4.350 0.000 0.000 0.285 268 T C -0.667 174.229 174.700 0.328 0.000 1.019 268 T CA -0.722 61.608 62.100 0.382 0.000 1.010 268 T CB 1.608 70.670 68.868 0.325 0.000 1.022 268 T HN 0.635 nan 8.240 nan 0.000 0.466 269 V N 3.299 123.442 119.914 0.381 0.000 2.439 269 V HA 0.378 4.498 4.120 0.000 0.000 0.277 269 V C -0.549 175.503 176.094 -0.069 0.000 1.008 269 V CA -0.939 61.437 62.300 0.127 0.000 0.846 269 V CB 1.164 33.069 31.823 0.136 0.000 1.031 269 V HN 0.820 nan 8.190 nan 0.000 0.441 270 N N 3.133 121.805 118.700 -0.047 0.000 2.589 270 N HA 0.172 4.912 4.740 0.000 0.000 0.232 270 N C -0.252 175.192 175.510 -0.109 0.000 1.015 270 N CA -0.220 52.779 53.050 -0.085 0.000 0.931 270 N CB 0.978 39.434 38.487 -0.052 0.000 1.150 270 N HN 0.682 nan 8.380 nan 0.000 0.512 271 c N 6.373 124.916 118.600 -0.095 0.000 2.662 271 c HA 0.283 4.853 4.570 0.000 0.000 0.402 271 c C 0.294 174.306 174.090 -0.130 0.000 1.397 271 c CA -0.492 55.775 56.329 -0.104 0.000 1.575 271 c CB -2.115 40.368 42.510 -0.046 0.000 2.406 271 c HN 0.557 nan 8.230 nan 0.000 0.609 272 I N 6.390 126.747 120.570 -0.355 0.000 2.493 272 I HA 0.574 4.744 4.170 0.000 0.000 0.298 272 I C -0.431 175.503 176.117 -0.306 0.000 0.998 272 I CA -0.583 60.478 61.300 -0.398 0.000 1.137 272 I CB 1.850 39.390 38.000 -0.767 0.000 1.310 272 I HN 0.238 nan 8.210 nan 0.000 0.445 273 V N 5.197 125.100 119.914 -0.018 0.000 2.623 273 V HA 0.398 4.518 4.120 0.000 0.000 0.304 273 V C -0.699 175.472 176.094 0.130 0.000 1.054 273 V CA -0.607 61.721 62.300 0.045 0.000 0.882 273 V CB 2.157 34.042 31.823 0.102 0.000 1.002 273 V HN 0.725 nan 8.190 nan 0.000 0.424 274 E N 2.912 123.133 120.200 0.036 0.000 2.272 274 E HA 0.455 4.806 4.350 0.000 0.000 0.269 274 E C -1.165 175.422 176.600 -0.022 0.000 0.877 274 E CA -0.774 55.638 56.400 0.020 0.000 0.755 274 E CB 2.848 32.547 29.700 -0.001 0.000 1.192 274 E HN 0.670 nan 8.360 nan 0.000 0.422 275 E N 1.732 121.940 120.200 0.013 0.000 2.289 275 E HA 0.299 4.650 4.350 0.000 0.000 0.278 275 E C -0.187 176.375 176.600 -0.064 0.000 1.032 275 E CA -0.380 56.024 56.400 0.006 0.000 0.854 275 E CB 1.278 31.015 29.700 0.062 0.000 1.046 275 E HN 0.294 nan 8.360 nan 0.000 0.409 276 V N -0.523 119.339 119.914 -0.086 0.000 3.165 276 V HA 0.490 4.610 4.120 0.000 0.000 0.309 276 V C -1.221 174.770 176.094 -0.172 0.000 1.267 276 V CA -1.241 60.979 62.300 -0.134 0.000 1.067 276 V CB 2.219 33.943 31.823 -0.166 0.000 1.082 276 V HN 0.462 nan 8.190 nan 0.000 0.451 277 D N 1.495 121.771 120.400 -0.207 0.000 2.303 277 D HA 0.725 5.365 4.640 0.000 0.000 0.236 277 D C -0.055 176.023 176.300 -0.371 0.000 1.068 277 D CA 0.148 53.985 54.000 -0.271 0.000 0.830 277 D CB 1.677 42.351 40.800 -0.210 0.000 1.109 277 D HN 1.095 nan 8.370 nan 0.000 0.496 278 A N 3.315 125.759 122.820 -0.627 0.000 2.303 278 A HA 0.746 5.066 4.320 0.000 0.000 0.317 278 A C -0.181 177.010 177.584 -0.655 0.000 1.149 278 A CA -0.723 50.846 52.037 -0.781 0.000 0.822 278 A CB 0.695 18.761 19.000 -1.558 0.000 1.131 278 A HN 0.588 nan 8.150 nan 0.000 0.493 279 R N 1.047 121.370 120.500 -0.295 0.000 2.483 279 R HA 0.530 4.870 4.340 0.000 0.000 0.303 279 R C -0.996 175.366 176.300 0.102 0.000 0.987 279 R CA -0.186 55.851 56.100 -0.105 0.000 0.881 279 R CB 2.035 32.265 30.300 -0.117 0.000 1.177 279 R HN 0.638 nan 8.270 nan 0.000 0.451 280 S N 2.341 118.217 115.700 0.294 0.000 2.500 280 S HA 0.634 5.104 4.470 0.000 0.000 0.301 280 S C -0.482 174.413 174.600 0.492 0.000 1.092 280 S CA -0.663 57.797 58.200 0.432 0.000 1.030 280 S CB 1.368 64.913 63.200 0.575 0.000 1.031 280 S HN 0.388 nan 8.310 nan 0.000 0.483 281 V N 3.456 123.488 119.914 0.196 0.000 2.815 281 V HA 0.640 4.760 4.120 0.000 0.000 0.314 281 V C -0.392 175.261 176.094 -0.736 0.000 1.064 281 V CA -1.158 61.077 62.300 -0.108 0.000 0.952 281 V CB 0.934 32.743 31.823 -0.023 0.000 1.020 281 V HN 0.923 nan 8.190 nan 0.000 0.439 282 Y N 4.508 123.983 120.300 -1.375 0.000 2.987 282 Y HA 0.142 4.692 4.550 0.000 0.000 0.339 282 Y C -1.571 174.060 175.900 -0.448 0.000 1.272 282 Y CA -0.205 57.233 58.100 -1.103 0.000 1.562 282 Y CB 0.768 38.934 38.460 -0.491 0.000 1.253 282 Y HN 0.633 nan 8.280 nan 0.000 0.604 283 P HA 0.047 nan 4.420 nan 0.000 0.255 283 P C -1.162 175.927 177.300 -0.352 0.000 1.301 283 P CA 0.496 62.960 63.100 -1.061 0.000 0.817 283 P CB -0.306 30.948 31.700 -0.744 0.000 1.259 284 Y N -0.989 119.279 120.300 -0.053 0.000 3.929 284 Y HA -0.234 4.316 4.550 0.000 0.000 0.225 284 Y C 1.119 177.082 175.900 0.105 0.000 1.200 284 Y CA 0.421 58.572 58.100 0.084 0.000 1.791 284 Y CB -2.948 35.600 38.460 0.147 0.000 1.561 284 Y HN 0.226 nan 8.280 nan 0.000 0.657 285 D N 0.718 121.194 120.400 0.126 0.000 2.349 285 D HA 0.005 4.645 4.640 0.000 0.000 0.224 285 D C 0.589 177.046 176.300 0.262 0.000 1.029 285 D CA 1.329 55.416 54.000 0.145 0.000 0.879 285 D CB 0.209 40.964 40.800 -0.075 0.000 0.906 285 D HN 0.784 nan 8.370 nan 0.000 0.528 286 E N -1.135 119.226 120.200 0.267 0.000 2.432 286 E HA 0.481 4.831 4.350 0.000 0.000 0.279 286 E C -1.167 175.634 176.600 0.335 0.000 1.099 286 E CA -1.151 55.429 56.400 0.300 0.000 0.859 286 E CB 0.980 30.814 29.700 0.223 0.000 1.402 286 E HN 0.064 nan 8.360 nan 0.000 0.451 287 F N -1.047 118.898 119.950 -0.008 0.000 2.789 287 F HA 0.820 5.347 4.527 0.000 0.000 0.319 287 F C -1.268 174.350 175.800 -0.302 0.000 1.168 287 F CA -0.747 57.194 58.000 -0.098 0.000 0.934 287 F CB 0.940 39.941 39.000 0.002 0.000 1.375 287 F HN 0.531 nan 8.300 nan 0.000 0.480 288 V N -0.808 118.928 119.914 -0.296 0.000 3.084 288 V HA 0.805 4.925 4.120 0.000 0.000 0.311 288 V C -1.298 174.625 176.094 -0.285 0.000 1.311 288 V CA -1.201 60.776 62.300 -0.538 0.000 1.062 288 V CB 1.617 32.968 31.823 -0.787 0.000 1.113 288 V HN 1.012 nan 8.190 nan 0.000 0.468 289 L N -0.617 120.412 121.223 -0.325 0.000 2.194 289 L HA 0.805 5.145 4.340 0.000 0.000 0.248 289 L C 1.423 178.142 176.870 -0.251 0.000 1.071 289 L CA -0.427 54.253 54.840 -0.267 0.000 0.901 289 L CB 1.625 43.517 42.059 -0.277 0.000 1.497 289 L HN 0.788 nan 8.230 nan 0.000 0.442 290 A N -0.721 121.963 122.820 -0.225 0.000 2.167 290 A HA -0.038 4.282 4.320 0.000 0.000 0.214 290 A C 1.685 179.162 177.584 -0.179 0.000 1.151 290 A CA 1.332 53.256 52.037 -0.189 0.000 0.735 290 A CB -0.817 18.082 19.000 -0.169 0.000 0.802 290 A HN 0.845 nan 8.150 nan 0.000 0.467 291 T N -4.291 110.138 114.554 -0.208 0.000 3.129 291 T HA 0.375 4.725 4.350 0.000 0.000 0.251 291 T C 1.290 175.885 174.700 -0.175 0.000 1.117 291 T CA 0.952 62.933 62.100 -0.199 0.000 1.034 291 T CB -0.155 68.555 68.868 -0.264 0.000 0.968 291 T HN 1.581 nan 8.240 nan 0.000 0.526 292 G N 1.347 110.035 108.800 -0.186 0.000 2.182 292 G HA2 -0.166 3.794 3.960 0.000 0.000 0.248 292 G HA3 -0.166 3.794 3.960 0.000 0.000 0.248 292 G C -0.751 174.075 174.900 -0.123 0.000 1.042 292 G CA -0.131 44.875 45.100 -0.157 0.000 0.775 292 G HN 0.617 nan 8.290 nan 0.000 0.501 293 D N -0.530 119.762 120.400 -0.181 0.000 2.256 293 D HA 0.593 5.233 4.640 0.000 0.000 0.240 293 D C 0.155 176.354 176.300 -0.168 0.000 1.062 293 D CA -0.343 53.602 54.000 -0.092 0.000 0.832 293 D CB 0.739 41.464 40.800 -0.125 0.000 1.135 293 D HN 0.085 nan 8.370 nan 0.000 0.484 294 F N 1.296 121.134 119.950 -0.187 0.000 2.399 294 F HA 0.340 4.867 4.527 0.000 0.000 0.342 294 F C 0.398 175.902 175.800 -0.494 0.000 1.106 294 F CA -0.237 57.507 58.000 -0.426 0.000 1.196 294 F CB 0.981 39.633 39.000 -0.580 0.000 1.163 294 F HN 0.015 nan 8.300 nan 0.000 0.547 295 V N 5.034 124.603 119.914 -0.574 0.000 2.380 295 V HA 0.132 4.252 4.120 0.000 0.000 0.286 295 V C -0.897 174.975 176.094 -0.371 0.000 1.015 295 V CA -0.934 61.063 62.300 -0.505 0.000 0.834 295 V CB 0.751 32.005 31.823 -0.948 0.000 1.009 295 V HN 0.555 nan 8.190 nan 0.000 0.428 296 Y N 5.169 125.599 120.300 0.217 0.000 2.971 296 Y HA 0.508 5.058 4.550 0.000 0.000 0.384 296 Y C 0.387 176.438 175.900 0.252 0.000 1.166 296 Y CA 0.053 58.260 58.100 0.179 0.000 1.973 296 Y CB 0.040 38.496 38.460 -0.006 0.000 2.082 296 Y HN 0.588 nan 8.280 nan 0.000 0.420 297 M N 0.419 120.234 119.600 0.358 0.000 2.371 297 M HA 0.352 4.832 4.480 0.000 0.000 0.287 297 M C -0.776 175.770 176.300 0.409 0.000 1.149 297 M CA -0.658 54.836 55.300 0.322 0.000 0.929 297 M CB 1.749 34.525 32.600 0.293 0.000 1.683 297 M HN 0.055 nan 8.290 nan 0.000 0.470 298 S N 4.570 120.485 115.700 0.358 0.000 2.544 298 S HA 0.197 4.667 4.470 0.000 0.000 0.290 298 S C -1.910 172.861 174.600 0.285 0.000 1.276 298 S CA -0.769 57.639 58.200 0.345 0.000 1.075 298 S CB 0.540 63.950 63.200 0.349 0.000 0.849 298 S HN 0.603 nan 8.310 nan 0.000 0.494 299 P HA -0.053 nan 4.420 nan 0.000 0.223 299 P C 0.133 177.297 177.300 -0.227 0.000 1.144 299 P CA 1.217 64.020 63.100 -0.493 0.000 0.783 299 P CB -0.009 30.901 31.700 -1.317 0.000 0.771 300 F N -3.724 116.277 119.950 0.086 0.000 2.645 300 F HA 0.189 4.716 4.527 0.000 0.000 0.300 300 F C 1.000 176.990 175.800 0.317 0.000 1.115 300 F CA -0.835 57.173 58.000 0.014 0.000 1.355 300 F CB -0.587 38.314 39.000 -0.166 0.000 1.026 300 F HN -0.127 nan 8.300 nan 0.000 0.536 301 Y N 0.999 121.492 120.300 0.322 0.000 2.326 301 Y HA 0.597 5.147 4.550 0.000 0.000 0.333 301 Y C 0.616 176.493 175.900 -0.038 0.000 1.240 301 Y CA 0.332 58.481 58.100 0.082 0.000 1.365 301 Y CB 0.701 39.068 38.460 -0.156 0.000 1.289 301 Y HN 0.171 nan 8.280 nan 0.000 0.548 302 G N 2.533 110.659 108.800 -1.123 0.000 2.566 302 G HA2 -0.034 3.926 3.960 0.000 0.000 0.138 302 G HA3 -0.034 3.926 3.960 0.000 0.000 0.138 302 G C -1.008 173.172 174.900 -1.199 0.000 1.133 302 G CA 0.043 44.479 45.100 -1.108 0.000 1.037 302 G HN 0.562 nan 8.290 nan 0.000 0.491 303 Y N 0.287 120.307 120.300 -0.468 0.000 2.784 303 Y HA 0.389 4.939 4.550 0.000 0.000 0.267 303 Y C 1.775 177.478 175.900 -0.328 0.000 1.117 303 Y CA -0.595 57.304 58.100 -0.335 0.000 1.231 303 Y CB 0.255 38.572 38.460 -0.239 0.000 1.441 303 Y HN 0.163 nan 8.280 nan 0.000 0.469 304 R N 2.121 122.415 120.500 -0.344 0.000 2.811 304 R HA -0.079 4.261 4.340 0.000 0.000 0.265 304 R C 0.641 176.826 176.300 -0.192 0.000 1.026 304 R CA 0.735 56.636 56.100 -0.332 0.000 1.142 304 R CB 0.025 29.984 30.300 -0.567 0.000 1.027 304 R HN 0.348 nan 8.270 nan 0.000 0.465 305 E N 0.115 120.299 120.200 -0.027 0.000 2.883 305 E HA -0.252 4.098 4.350 0.000 0.000 0.271 305 E C 0.283 176.921 176.600 0.062 0.000 1.049 305 E CA 0.567 57.022 56.400 0.093 0.000 0.817 305 E CB -1.136 28.750 29.700 0.311 0.000 1.407 305 E HN 1.080 nan 8.360 nan 0.000 0.434 306 G N -0.517 108.287 108.800 0.005 0.000 2.305 306 G HA2 -0.384 3.576 3.960 0.000 0.000 0.287 306 G HA3 -0.384 3.576 3.960 0.000 0.000 0.287 306 G C 0.659 175.560 174.900 0.001 0.000 1.036 306 G CA 0.813 45.914 45.100 0.001 0.000 0.887 306 G HN 0.424 nan 8.290 nan 0.000 0.505 307 S N -0.887 114.799 115.700 -0.023 0.000 2.419 307 S HA -0.094 4.376 4.470 0.000 0.000 0.235 307 S C 2.344 176.827 174.600 -0.196 0.000 1.019 307 S CA 2.163 60.356 58.200 -0.012 0.000 0.982 307 S CB -0.477 62.730 63.200 0.011 0.000 0.789 307 S HN 1.422 nan 8.310 nan 0.000 0.490 308 H N 0.718 119.628 119.070 -0.267 0.000 2.518 308 H HA -0.061 4.495 4.556 0.000 0.000 0.292 308 H C 2.317 177.665 175.328 0.033 0.000 1.068 308 H CA 1.843 57.739 56.048 -0.253 0.000 1.275 308 H CB -1.377 28.356 29.762 -0.048 0.000 1.375 308 H HN 0.456 nan 8.280 nan 0.000 0.563 309 T N 0.232 114.812 114.554 0.044 0.000 2.867 309 T HA -0.044 4.306 4.350 0.000 0.000 0.268 309 T C 0.762 175.556 174.700 0.157 0.000 1.057 309 T CA 0.670 62.825 62.100 0.092 0.000 1.136 309 T CB -0.006 68.900 68.868 0.062 0.000 0.874 309 T HN 0.682 nan 8.240 nan 0.000 0.466 310 E N 1.224 121.549 120.200 0.209 0.000 2.428 310 E HA 0.063 4.413 4.350 0.000 0.000 0.257 310 E C -0.071 176.733 176.600 0.340 0.000 1.197 310 E CA 0.057 56.633 56.400 0.294 0.000 0.974 310 E CB 0.212 30.126 29.700 0.357 0.000 0.976 310 E HN 0.463 nan 8.360 nan 0.000 0.463 311 H N -0.577 118.597 119.070 0.173 0.000 2.610 311 H HA 0.256 4.812 4.556 0.000 0.000 0.336 311 H C -0.681 174.617 175.328 -0.050 0.000 1.087 311 H CA 0.379 56.468 56.048 0.070 0.000 1.405 311 H CB 0.777 30.576 29.762 0.060 0.000 1.460 311 H HN 0.250 nan 8.280 nan 0.000 0.538 312 T N 2.757 116.794 114.554 -0.863 0.000 3.041 312 T HA 0.269 4.619 4.350 0.000 0.000 0.321 312 T C -0.048 174.214 174.700 -0.731 0.000 1.184 312 T CA -0.515 61.133 62.100 -0.753 0.000 1.050 312 T CB 1.031 69.379 68.868 -0.867 0.000 1.159 312 T HN 0.627 nan 8.240 nan 0.000 0.469 313 S N 2.513 117.871 115.700 -0.570 0.000 2.540 313 S HA 0.299 4.769 4.470 0.000 0.000 0.218 313 S C -0.406 173.854 174.600 -0.566 0.000 0.977 313 S CA -0.142 57.719 58.200 -0.565 0.000 0.918 313 S CB -0.088 62.765 63.200 -0.579 0.000 0.806 313 S HN 0.686 nan 8.310 nan 0.000 0.496 314 Y N 1.376 121.588 120.300 -0.146 0.000 2.496 314 Y HA 0.706 5.256 4.550 0.000 0.000 0.331 314 Y C 0.536 176.399 175.900 -0.061 0.000 1.140 314 Y CA -1.573 56.483 58.100 -0.074 0.000 1.166 314 Y CB 0.468 38.910 38.460 -0.030 0.000 1.249 314 Y HN 0.027 nan 8.280 nan 0.000 0.479 315 A N 0.806 123.714 122.820 0.148 0.000 2.483 315 A HA 0.435 4.755 4.320 0.000 0.000 0.238 315 A C 1.341 179.009 177.584 0.140 0.000 1.070 315 A CA 0.205 52.304 52.037 0.102 0.000 0.770 315 A CB -0.203 18.846 19.000 0.082 0.000 1.008 315 A HN 1.064 nan 8.150 nan 0.000 0.497 316 A N 1.187 124.091 122.820 0.141 0.000 2.019 316 A HA -0.151 4.169 4.320 0.000 0.000 0.219 316 A C 1.613 179.312 177.584 0.192 0.000 1.164 316 A CA 1.939 54.108 52.037 0.220 0.000 0.644 316 A CB -0.582 18.546 19.000 0.213 0.000 0.805 316 A HN 0.933 nan 8.150 nan 0.000 0.449 317 D N -0.327 120.137 120.400 0.106 0.000 2.219 317 D HA -0.170 4.470 4.640 0.000 0.000 0.205 317 D C 1.852 178.165 176.300 0.023 0.000 0.970 317 D CA 0.970 54.996 54.000 0.044 0.000 0.851 317 D CB -0.512 40.304 40.800 0.027 0.000 0.943 317 D HN 0.500 nan 8.370 nan 0.000 0.488 318 R N -0.783 119.760 120.500 0.072 0.000 2.066 318 R HA 0.030 4.370 4.340 0.000 0.000 0.232 318 R C 0.785 177.115 176.300 0.050 0.000 1.131 318 R CA 0.368 56.495 56.100 0.046 0.000 0.955 318 R CB -0.378 29.955 30.300 0.055 0.000 0.851 318 R HN 0.221 nan 8.270 nan 0.000 0.432 319 F N 1.749 121.696 119.950 -0.004 0.000 2.389 319 F HA 0.239 4.766 4.527 0.000 0.000 0.337 319 F C -0.226 175.565 175.800 -0.016 0.000 1.112 319 F CA 0.123 58.134 58.000 0.019 0.000 1.192 319 F CB 0.672 39.747 39.000 0.124 0.000 1.185 319 F HN -0.244 nan 8.300 nan 0.000 0.552 320 K N 3.344 123.022 120.400 -1.202 0.000 2.533 320 K HA 0.298 4.619 4.320 0.000 0.000 0.272 320 K C -1.752 174.157 176.600 -1.152 0.000 0.985 320 K CA -1.109 54.630 56.287 -0.913 0.000 0.876 320 K CB 2.266 34.258 32.500 -0.846 0.000 1.452 320 K HN 0.619 nan 8.250 nan 0.000 0.439 321 Q N 1.929 121.435 119.800 -0.491 0.000 2.650 321 Q HA 0.235 4.575 4.340 0.000 0.000 0.239 321 Q C -1.588 174.325 176.000 -0.144 0.000 0.893 321 Q CA -0.433 55.160 55.803 -0.350 0.000 0.755 321 Q CB 1.670 30.260 28.738 -0.248 0.000 1.349 321 Q HN 0.381 nan 8.270 nan 0.000 0.461 322 V N 3.547 123.378 119.914 -0.137 0.000 2.555 322 V HA 0.141 4.261 4.120 0.000 0.000 0.286 322 V C -0.200 175.886 176.094 -0.012 0.000 1.044 322 V CA 0.240 62.524 62.300 -0.026 0.000 1.026 322 V CB 1.241 33.062 31.823 -0.003 0.000 0.981 322 V HN 0.735 nan 8.190 nan 0.000 0.480 323 D N 2.582 122.995 120.400 0.023 0.000 2.217 323 D HA 0.563 5.203 4.640 0.000 0.000 0.248 323 D C 0.891 177.217 176.300 0.044 0.000 1.008 323 D CA 0.197 54.206 54.000 0.015 0.000 0.914 323 D CB 1.198 41.995 40.800 -0.005 0.000 1.182 323 D HN 0.901 nan 8.370 nan 0.000 0.451 324 G N 1.056 109.853 108.800 -0.004 0.000 2.395 324 G HA2 -0.289 3.671 3.960 0.000 0.000 0.300 324 G HA3 -0.289 3.671 3.960 0.000 0.000 0.300 324 G C -0.271 174.550 174.900 -0.131 0.000 0.998 324 G CA -0.085 44.962 45.100 -0.088 0.000 1.046 324 G HN 0.397 nan 8.290 nan 0.000 0.513 325 F N 1.095 120.895 119.950 -0.249 0.000 2.424 325 F HA 0.640 5.167 4.527 0.000 0.000 0.356 325 F C -0.019 175.610 175.800 -0.284 0.000 1.110 325 F CA -1.656 56.245 58.000 -0.165 0.000 1.161 325 F CB 0.566 39.517 39.000 -0.083 0.000 1.115 325 F HN 0.148 nan 8.300 nan 0.000 0.507 326 Y N 5.880 125.735 120.300 -0.740 0.000 2.593 326 Y HA 0.551 5.101 4.550 0.000 0.000 0.331 326 Y C 0.526 175.880 175.900 -0.910 0.000 0.986 326 Y CA -0.892 56.844 58.100 -0.607 0.000 1.262 326 Y CB 0.502 38.774 38.460 -0.312 0.000 1.098 326 Y HN 0.802 nan 8.280 nan 0.000 0.506 327 A N 3.999 126.402 122.820 -0.695 0.000 2.462 327 A HA 0.328 4.648 4.320 0.000 0.000 0.243 327 A C 0.323 177.821 177.584 -0.142 0.000 1.076 327 A CA -0.497 51.324 52.037 -0.361 0.000 0.773 327 A CB 0.223 19.283 19.000 0.099 0.000 1.010 327 A HN 0.832 nan 8.150 nan 0.000 0.493 328 R N 2.674 123.119 120.500 -0.091 0.000 2.287 328 R HA 0.142 4.482 4.340 0.000 0.000 0.316 328 R C -0.932 175.328 176.300 -0.066 0.000 1.050 328 R CA -0.572 55.484 56.100 -0.073 0.000 0.983 328 R CB 0.340 30.586 30.300 -0.089 0.000 1.140 328 R HN 0.817 nan 8.270 nan 0.000 0.528 329 D N 5.108 125.485 120.400 -0.038 0.000 2.502 329 D HA -0.049 4.591 4.640 0.000 0.000 0.249 329 D C 0.412 176.648 176.300 -0.108 0.000 1.188 329 D CA 0.382 54.358 54.000 -0.040 0.000 0.890 329 D CB 0.545 41.358 40.800 0.022 0.000 1.140 329 D HN 0.481 nan 8.370 nan 0.000 0.505 330 L N 3.240 124.302 121.223 -0.269 0.000 2.425 330 L HA 0.050 4.391 4.340 0.000 0.000 0.225 330 L C 2.162 178.962 176.870 -0.117 0.000 1.222 330 L CA -0.475 54.149 54.840 -0.361 0.000 0.832 330 L CB -0.309 41.193 42.059 -0.928 0.000 1.238 330 L HN 0.614 nan 8.230 nan 0.000 0.533 331 T N -1.619 112.904 114.554 -0.051 0.000 13.157 331 T HA -0.367 3.983 4.350 0.000 0.000 0.419 331 T C 1.308 176.037 174.700 0.049 0.000 1.441 331 T CA 2.263 64.424 62.100 0.100 0.000 2.364 331 T CB -1.590 67.438 68.868 0.266 0.000 2.813 331 T HN 0.968 nan 8.240 nan 0.000 0.644 332 T N 0.870 115.455 114.554 0.051 0.000 3.007 332 T HA 0.073 4.423 4.350 0.000 0.000 0.270 332 T C 1.191 175.891 174.700 -0.001 0.000 1.107 332 T CA 1.944 64.062 62.100 0.029 0.000 1.118 332 T CB -0.470 68.420 68.868 0.037 0.000 0.889 332 T HN 0.811 nan 8.240 nan 0.000 0.506 333 K N -0.080 120.304 120.400 -0.026 0.000 3.495 333 K HA -0.185 4.135 4.320 0.000 0.000 0.315 333 K C 0.592 177.168 176.600 -0.041 0.000 1.301 333 K CA 0.338 56.596 56.287 -0.049 0.000 0.985 333 K CB -2.301 30.174 32.500 -0.042 0.000 1.244 333 K HN 0.753 nan 8.250 nan 0.000 0.433 334 A N 1.848 124.654 122.820 -0.024 0.000 2.466 334 A HA 0.325 4.645 4.320 0.000 0.000 0.238 334 A C 0.561 178.127 177.584 -0.029 0.000 1.074 334 A CA 0.675 52.701 52.037 -0.019 0.000 0.774 334 A CB 0.190 19.190 19.000 -0.000 0.000 1.015 334 A HN 0.422 nan 8.150 nan 0.000 0.498 335 R N -0.059 120.422 120.500 -0.031 0.000 2.734 335 R HA 0.643 4.983 4.340 0.000 0.000 0.271 335 R C 0.061 176.348 176.300 -0.022 0.000 1.021 335 R CA -0.373 55.702 56.100 -0.042 0.000 0.893 335 R CB 0.809 31.066 30.300 -0.072 0.000 1.244 335 R HN 2.181 nan 8.270 nan 0.000 0.464 336 A N 0.203 123.031 122.820 0.014 0.000 2.832 336 A HA -0.208 4.112 4.320 0.000 0.000 0.280 336 A C 1.046 178.714 177.584 0.140 0.000 1.464 336 A CA 1.584 53.708 52.037 0.144 0.000 0.804 336 A CB -2.347 16.593 19.000 -0.099 0.000 1.020 336 A HN 0.861 nan 8.150 nan 0.000 0.563 337 T N -0.871 113.731 114.554 0.081 0.000 2.788 337 T HA 0.283 4.633 4.350 0.000 0.000 0.268 337 T C 0.953 175.706 174.700 0.088 0.000 1.044 337 T CA 2.106 64.247 62.100 0.068 0.000 1.139 337 T CB -0.108 68.790 68.868 0.050 0.000 0.867 337 T HN 2.071 nan 8.240 nan 0.000 0.454 338 A N 1.415 124.290 122.820 0.092 0.000 2.513 338 A HA 0.609 4.929 4.320 0.000 0.000 0.296 338 A C -3.018 174.534 177.584 -0.052 0.000 1.052 338 A CA -1.527 50.543 52.037 0.055 0.000 0.714 338 A CB 1.313 20.341 19.000 0.047 0.000 1.279 338 A HN -0.007 nan 8.150 nan 0.000 0.397 339 P HA 0.546 nan 4.420 nan 0.000 0.284 339 P C -0.320 176.873 177.300 -0.178 0.000 1.253 339 P CA 0.135 62.926 63.100 -0.515 0.000 0.800 339 P CB 1.477 32.777 31.700 -0.667 0.000 0.961 340 T N -2.249 112.257 114.554 -0.080 0.000 2.841 340 T HA 0.407 4.757 4.350 0.000 0.000 0.296 340 T C -0.311 174.441 174.700 0.088 0.000 1.166 340 T CA -0.665 61.474 62.100 0.065 0.000 1.007 340 T CB 0.704 69.663 68.868 0.151 0.000 1.253 340 T HN 0.166 nan 8.240 nan 0.000 0.511 341 T N 1.936 116.542 114.554 0.087 0.000 3.477 341 T HA 0.344 4.694 4.350 0.000 0.000 0.347 341 T C 0.236 174.916 174.700 -0.032 0.000 1.567 341 T CA -0.499 61.623 62.100 0.037 0.000 1.169 341 T CB -0.409 68.497 68.868 0.064 0.000 1.196 341 T HN 0.510 nan 8.240 nan 0.000 0.768 342 R N 3.297 123.719 120.500 -0.130 0.000 2.404 342 R HA 0.120 4.460 4.340 0.000 0.000 0.315 342 R C -0.139 175.930 176.300 -0.385 0.000 1.032 342 R CA -0.153 55.754 56.100 -0.321 0.000 0.992 342 R CB -0.294 29.545 30.300 -0.767 0.000 0.959 342 R HN 0.263 nan 8.270 nan 0.000 0.428 343 N N 3.797 122.190 118.700 -0.511 0.000 2.514 343 N HA 0.249 4.989 4.740 0.000 0.000 0.277 343 N C -1.088 174.090 175.510 -0.553 0.000 1.126 343 N CA -0.069 52.572 53.050 -0.683 0.000 0.978 343 N CB 0.816 38.618 38.487 -1.141 0.000 1.106 343 N HN 0.372 nan 8.380 nan 0.000 0.461 344 L N 2.653 123.573 121.223 -0.504 0.000 2.415 344 L HA 0.404 4.744 4.340 0.000 0.000 0.268 344 L C -0.861 175.967 176.870 -0.070 0.000 0.984 344 L CA -0.517 54.227 54.840 -0.159 0.000 0.853 344 L CB 1.402 43.424 42.059 -0.061 0.000 1.215 344 L HN 0.274 nan 8.230 nan 0.000 0.419 345 L N 2.311 123.692 121.223 0.265 0.000 2.334 345 L HA 0.766 5.106 4.340 0.000 0.000 0.275 345 L C -0.093 176.844 176.870 0.112 0.000 1.036 345 L CA 0.367 55.358 54.840 0.252 0.000 0.807 345 L CB 2.106 44.398 42.059 0.389 0.000 1.231 345 L HN 0.501 nan 8.230 nan 0.000 0.438 346 T N 2.477 117.011 114.554 -0.034 0.000 2.977 346 T HA 0.331 4.681 4.350 0.000 0.000 0.346 346 T C -0.083 174.480 174.700 -0.229 0.000 1.140 346 T CA -0.422 61.639 62.100 -0.064 0.000 1.040 346 T CB 0.248 69.119 68.868 0.005 0.000 1.046 346 T HN 0.830 nan 8.240 nan 0.000 0.494 347 T N 1.070 115.366 114.554 -0.430 0.000 2.860 347 T HA 0.246 4.596 4.350 0.000 0.000 0.299 347 T C -1.703 172.805 174.700 -0.320 0.000 1.045 347 T CA -1.592 60.188 62.100 -0.534 0.000 1.071 347 T CB 0.656 68.887 68.868 -1.062 0.000 0.985 347 T HN 0.025 nan 8.240 nan 0.000 0.537 348 P HA 0.008 nan 4.420 nan 0.000 0.221 348 P C 1.040 178.308 177.300 -0.053 0.000 1.145 348 P CA 1.026 64.106 63.100 -0.033 0.000 0.795 348 P CB 0.138 31.857 31.700 0.032 0.000 0.775 349 K N -1.886 118.416 120.400 -0.164 0.000 2.373 349 K HA 0.167 4.487 4.320 0.000 0.000 0.200 349 K C 0.037 176.696 176.600 0.098 0.000 1.054 349 K CA 0.051 56.320 56.287 -0.030 0.000 1.065 349 K CB 0.575 33.123 32.500 0.080 0.000 0.886 349 K HN 0.114 nan 8.250 nan 0.000 0.546 350 F N -3.445 116.506 119.950 0.003 0.000 3.194 350 F HA 0.344 4.871 4.527 0.000 0.000 0.327 350 F C -1.606 174.257 175.800 0.105 0.000 1.141 350 F CA -1.129 56.907 58.000 0.060 0.000 0.862 350 F CB 0.978 39.969 39.000 -0.015 0.000 1.447 350 F HN -0.398 nan 8.300 nan 0.000 0.479 351 T N 1.901 116.773 114.554 0.530 0.000 2.963 351 T HA 0.543 4.893 4.350 0.000 0.000 0.328 351 T C -1.428 173.654 174.700 0.637 0.000 1.048 351 T CA -0.534 61.820 62.100 0.422 0.000 1.033 351 T CB 1.030 70.076 68.868 0.297 0.000 1.010 351 T HN 0.804 nan 8.240 nan 0.000 0.469 352 V N 2.830 123.128 119.914 0.639 0.000 2.612 352 V HA 0.952 5.072 4.120 0.000 0.000 0.301 352 V C -0.541 175.945 176.094 0.652 0.000 1.046 352 V CA -0.422 62.255 62.300 0.629 0.000 0.946 352 V CB 1.291 33.465 31.823 0.585 0.000 1.003 352 V HN 1.033 nan 8.190 nan 0.000 0.459 353 A N 5.621 128.847 122.820 0.676 0.000 2.515 353 A HA 1.005 5.325 4.320 0.000 0.000 0.296 353 A C -1.422 176.570 177.584 0.681 0.000 1.094 353 A CA -0.349 52.036 52.037 0.580 0.000 0.718 353 A CB 1.565 20.743 19.000 0.298 0.000 1.307 353 A HN 1.860 nan 8.150 nan 0.000 0.408 354 W N 0.279 121.695 121.300 0.194 0.000 3.153 354 W HA 0.594 5.254 4.660 0.000 0.000 0.316 354 W C -1.901 174.697 176.519 0.130 0.000 1.255 354 W CA -0.759 56.694 57.345 0.181 0.000 1.192 354 W CB 0.530 30.140 29.460 0.249 0.000 1.400 354 W HN 0.498 nan 8.180 nan 0.000 0.568 355 D N 2.281 122.779 120.400 0.162 0.000 2.363 355 D HA -0.002 4.638 4.640 0.000 0.000 0.263 355 D C -0.492 175.813 176.300 0.007 0.000 1.258 355 D CA 0.518 54.553 54.000 0.058 0.000 0.907 355 D CB 0.274 41.162 40.800 0.146 0.000 1.107 355 D HN 0.527 nan 8.370 nan 0.000 0.495 356 W N 4.660 125.792 121.300 -0.279 0.000 2.322 356 W HA 0.272 4.932 4.660 0.000 0.000 0.328 356 W C -0.371 176.141 176.519 -0.011 0.000 1.395 356 W CA -0.309 56.924 57.345 -0.187 0.000 1.267 356 W CB 0.428 29.769 29.460 -0.199 0.000 1.259 356 W HN 0.194 nan 8.180 nan 0.000 0.560 357 V N 4.831 124.290 119.914 -0.758 0.000 3.040 357 V HA 0.682 4.802 4.120 0.000 0.000 0.312 357 V C -2.521 172.927 176.094 -1.077 0.000 1.115 357 V CA -3.243 58.635 62.300 -0.704 0.000 0.998 357 V CB 1.482 33.185 31.823 -0.200 0.000 1.042 357 V HN 0.489 nan 8.190 nan 0.000 0.433 358 P HA 0.184 nan 4.420 nan 0.000 0.269 358 P C 0.169 177.109 177.300 -0.600 0.000 1.217 358 P CA 0.003 62.754 63.100 -0.582 0.000 0.783 358 P CB 0.768 32.294 31.700 -0.291 0.000 0.898 359 K N 2.166 122.067 120.400 -0.831 0.000 2.019 359 K HA -0.025 4.296 4.320 0.000 0.000 0.209 359 K C 1.949 178.022 176.600 -0.878 0.000 1.032 359 K CA 0.599 55.956 56.287 -1.550 0.000 0.947 359 K CB -0.170 31.530 32.500 -1.332 0.000 0.757 359 K HN 0.179 nan 8.250 nan 0.000 0.444 360 R N 0.410 120.591 120.500 -0.532 0.000 2.113 360 R HA -0.154 4.186 4.340 0.000 0.000 0.244 360 R C -0.719 175.426 176.300 -0.258 0.000 1.142 360 R CA 1.886 57.786 56.100 -0.333 0.000 0.953 360 R CB -1.582 28.587 30.300 -0.217 0.000 0.860 360 R HN 0.334 nan 8.270 nan 0.000 0.438 361 P HA -0.019 nan 4.420 nan 0.000 0.217 361 P C 0.950 178.182 177.300 -0.114 0.000 1.150 361 P CA 1.315 64.332 63.100 -0.137 0.000 0.832 361 P CB 0.095 31.728 31.700 -0.112 0.000 0.787 362 S N -1.057 114.542 115.700 -0.168 0.000 2.461 362 S HA 0.051 4.521 4.470 0.000 0.000 0.228 362 S C 1.096 175.681 174.600 -0.025 0.000 1.005 362 S CA 0.429 58.605 58.200 -0.041 0.000 0.942 362 S CB -0.577 62.636 63.200 0.021 0.000 0.776 362 S HN 0.045 nan 8.310 nan 0.000 0.514 363 V N -2.224 117.563 119.914 -0.212 0.000 3.158 363 V HA 0.871 4.991 4.120 0.000 0.000 0.315 363 V C -0.572 175.465 176.094 -0.093 0.000 1.148 363 V CA -1.226 60.962 62.300 -0.185 0.000 1.042 363 V CB 1.499 33.020 31.823 -0.503 0.000 1.101 363 V HN 0.103 nan 8.190 nan 0.000 0.448 364 c N 1.647 120.241 118.600 -0.011 0.000 3.135 364 c HA 0.486 5.056 4.570 0.000 0.000 0.428 364 c C 1.113 175.250 174.090 0.078 0.000 0.972 364 c CA 0.420 56.758 56.329 0.016 0.000 1.218 364 c CB 0.692 43.215 42.510 0.022 0.000 1.595 364 c HN 1.410 nan 8.230 nan 0.000 0.576 365 T N 1.992 116.584 114.554 0.064 0.000 3.227 365 T HA 0.201 4.551 4.350 0.000 0.000 0.257 365 T C 0.484 175.194 174.700 0.017 0.000 1.162 365 T CA 0.542 62.676 62.100 0.058 0.000 1.051 365 T CB -0.257 68.608 68.868 -0.004 0.000 0.953 365 T HN 0.589 nan 8.240 nan 0.000 0.535 366 M N 1.094 120.716 119.600 0.037 0.000 2.501 366 M HA 0.445 4.925 4.480 0.000 0.000 0.293 366 M C -1.037 175.382 176.300 0.199 0.000 1.192 366 M CA -0.453 54.894 55.300 0.078 0.000 0.886 366 M CB 2.202 34.812 32.600 0.016 0.000 1.710 366 M HN -0.084 nan 8.290 nan 0.000 0.457 367 T N 1.324 116.030 114.554 0.254 0.000 2.848 367 T HA 0.347 4.697 4.350 0.000 0.000 0.285 367 T C -0.274 174.587 174.700 0.269 0.000 0.995 367 T CA -0.756 61.501 62.100 0.261 0.000 0.970 367 T CB 2.239 71.194 68.868 0.145 0.000 0.976 367 T HN 0.524 nan 8.240 nan 0.000 0.441 368 K N 1.724 122.206 120.400 0.136 0.000 2.447 368 K HA 0.019 4.339 4.320 0.000 0.000 0.281 368 K C -0.123 176.486 176.600 0.015 0.000 1.031 368 K CA -0.024 56.102 56.287 -0.268 0.000 1.019 368 K CB 0.383 32.693 32.500 -0.318 0.000 0.918 368 K HN 0.689 nan 8.250 nan 0.000 0.476 369 W N 3.489 124.668 121.300 -0.201 0.000 2.922 369 W HA 0.151 4.811 4.660 0.000 0.000 0.260 369 W C -0.341 176.127 176.519 -0.085 0.000 1.088 369 W CA 0.587 57.886 57.345 -0.076 0.000 1.694 369 W CB 0.708 30.173 29.460 0.009 0.000 1.064 369 W HN 0.421 nan 8.180 nan 0.000 0.611 370 Q N 1.320 120.958 119.800 -0.270 0.000 2.331 370 Q HA 0.229 4.569 4.340 0.000 0.000 0.272 370 Q C -1.441 174.398 176.000 -0.268 0.000 1.062 370 Q CA -0.402 55.136 55.803 -0.441 0.000 0.806 370 Q CB 2.113 30.412 28.738 -0.731 0.000 1.312 370 Q HN 0.175 nan 8.270 nan 0.000 0.431 371 E N 1.626 121.701 120.200 -0.209 0.000 2.055 371 E HA 0.330 4.680 4.350 0.000 0.000 0.274 371 E C -0.678 175.859 176.600 -0.105 0.000 0.949 371 E CA -0.383 55.937 56.400 -0.133 0.000 0.775 371 E CB 1.484 31.130 29.700 -0.091 0.000 1.097 371 E HN 0.156 nan 8.360 nan 0.000 0.404 372 V N 4.269 124.137 119.914 -0.077 0.000 2.364 372 V HA 0.001 4.121 4.120 0.000 0.000 0.272 372 V C 0.413 176.523 176.094 0.026 0.000 1.036 372 V CA -0.251 62.029 62.300 -0.033 0.000 0.880 372 V CB 1.218 33.035 31.823 -0.010 0.000 0.991 372 V HN 0.632 nan 8.190 nan 0.000 0.460 373 D N 2.682 123.110 120.400 0.045 0.000 2.097 373 D HA -0.068 4.572 4.640 0.000 0.000 0.197 373 D C 0.949 177.353 176.300 0.172 0.000 0.984 373 D CA 1.268 55.338 54.000 0.118 0.000 0.826 373 D CB 0.349 41.215 40.800 0.110 0.000 0.973 373 D HN 0.701 nan 8.370 nan 0.000 0.460 374 E N -0.171 120.116 120.200 0.145 0.000 2.235 374 E HA 0.299 4.649 4.350 0.000 0.000 0.252 374 E C -1.271 175.429 176.600 0.168 0.000 0.886 374 E CA -0.500 56.004 56.400 0.174 0.000 0.767 374 E CB 0.812 30.615 29.700 0.171 0.000 1.205 374 E HN -0.161 nan 8.360 nan 0.000 0.421 375 M N 6.661 126.407 119.600 0.244 0.000 2.480 375 M HA 0.323 4.803 4.480 0.000 0.000 0.320 375 M C -1.627 174.836 176.300 0.271 0.000 1.141 375 M CA -0.455 55.011 55.300 0.277 0.000 1.102 375 M CB 0.293 33.094 32.600 0.335 0.000 1.249 375 M HN 0.494 nan 8.290 nan 0.000 0.446 376 L N 3.387 124.712 121.223 0.170 0.000 2.559 376 L HA 0.121 4.461 4.340 0.000 0.000 0.274 376 L C 0.508 177.361 176.870 -0.029 0.000 1.205 376 L CA 0.434 55.341 54.840 0.112 0.000 0.907 376 L CB 0.000 42.076 42.059 0.028 0.000 1.153 376 L HN 0.615 nan 8.230 nan 0.000 0.490 377 R N 2.897 123.341 120.500 -0.095 0.000 2.387 377 R HA 0.559 4.899 4.340 0.000 0.000 0.314 377 R C -0.844 175.407 176.300 -0.082 0.000 0.958 377 R CA -0.289 55.542 56.100 -0.448 0.000 0.846 377 R CB 1.642 31.475 30.300 -0.778 0.000 1.147 377 R HN 0.824 nan 8.270 nan 0.000 0.447 378 S N 1.715 117.372 115.700 -0.072 0.000 2.556 378 S HA 0.307 4.777 4.470 0.000 0.000 0.271 378 S C -1.109 173.428 174.600 -0.106 0.000 1.135 378 S CA -1.031 57.167 58.200 -0.005 0.000 0.858 378 S CB 1.987 65.226 63.200 0.065 0.000 1.114 378 S HN 0.704 nan 8.310 nan 0.000 0.468 379 E N 0.490 120.565 120.200 -0.208 0.000 2.204 379 E HA 0.538 4.888 4.350 0.000 0.000 0.276 379 E C -1.958 174.599 176.600 -0.072 0.000 0.974 379 E CA -0.810 55.392 56.400 -0.329 0.000 0.815 379 E CB 1.244 30.650 29.700 -0.490 0.000 1.119 379 E HN 0.722 nan 8.360 nan 0.000 0.393 380 Y N 2.530 122.716 120.300 -0.189 0.000 2.252 380 Y HA 0.333 4.883 4.550 0.000 0.000 0.321 380 Y C -0.131 175.722 175.900 -0.077 0.000 1.208 380 Y CA 0.362 58.396 58.100 -0.110 0.000 1.258 380 Y CB 1.158 39.577 38.460 -0.068 0.000 1.235 380 Y HN 0.746 nan 8.280 nan 0.000 0.408 381 G N 3.150 111.762 108.800 -0.312 0.000 2.248 381 G HA2 0.130 4.090 3.960 0.000 0.000 0.252 381 G HA3 0.130 4.090 3.960 0.000 0.000 0.252 381 G C 0.946 175.797 174.900 -0.081 0.000 1.085 381 G CA 0.632 45.612 45.100 -0.199 0.000 0.845 381 G HN 2.133 nan 8.290 nan 0.000 0.494 382 G N -2.215 106.520 108.800 -0.108 0.000 2.153 382 G HA2 0.049 4.009 3.960 0.000 0.000 0.252 382 G HA3 0.049 4.009 3.960 0.000 0.000 0.252 382 G C 0.378 175.260 174.900 -0.030 0.000 0.994 382 G CA 0.988 46.047 45.100 -0.067 0.000 0.698 382 G HN 1.846 nan 8.290 nan 0.000 0.521 383 S N -1.525 114.147 115.700 -0.048 0.000 2.651 383 S HA 0.822 5.292 4.470 0.000 0.000 0.279 383 S C -0.709 173.844 174.600 -0.078 0.000 1.148 383 S CA -0.747 57.471 58.200 0.030 0.000 0.837 383 S CB 1.651 64.926 63.200 0.125 0.000 1.138 383 S HN 0.279 nan 8.310 nan 0.000 0.478 384 F N 1.413 121.393 119.950 0.050 0.000 2.411 384 F HA 0.589 5.116 4.527 0.000 0.000 0.324 384 F C 0.875 176.627 175.800 -0.081 0.000 1.086 384 F CA -0.500 57.441 58.000 -0.098 0.000 1.028 384 F CB 0.946 39.815 39.000 -0.219 0.000 1.284 384 F HN 0.214 nan 8.300 nan 0.000 0.501 385 R N 1.675 122.138 120.500 -0.062 0.000 2.507 385 R HA 0.335 4.676 4.340 0.000 0.000 0.298 385 R C -1.968 174.187 176.300 -0.242 0.000 1.087 385 R CA -0.520 55.565 56.100 -0.025 0.000 0.917 385 R CB 1.034 31.354 30.300 0.034 0.000 1.173 385 R HN 0.387 nan 8.270 nan 0.000 0.472 386 F N 1.670 121.692 119.950 0.120 0.000 2.347 386 F HA 0.245 4.772 4.527 0.000 0.000 0.366 386 F C 0.470 176.384 175.800 0.191 0.000 1.107 386 F CA -0.711 57.339 58.000 0.083 0.000 1.058 386 F CB 1.836 40.855 39.000 0.030 0.000 1.236 386 F HN 0.290 nan 8.300 nan 0.000 0.456 387 S N 0.961 116.830 115.700 0.281 0.000 2.601 387 S HA 0.334 4.804 4.470 0.000 0.000 0.312 387 S C -0.185 174.572 174.600 0.262 0.000 1.107 387 S CA -0.727 57.675 58.200 0.337 0.000 1.129 387 S CB 1.316 64.776 63.200 0.434 0.000 0.982 387 S HN 0.432 nan 8.310 nan 0.000 0.469 388 S N 2.374 118.164 115.700 0.151 0.000 2.681 388 S HA 0.132 4.602 4.470 0.000 0.000 0.313 388 S C 0.848 175.385 174.600 -0.104 0.000 1.137 388 S CA -0.514 57.707 58.200 0.035 0.000 1.045 388 S CB -0.221 62.971 63.200 -0.013 0.000 1.208 388 S HN 0.819 nan 8.310 nan 0.000 0.523 389 D N 4.551 124.986 120.400 0.059 0.000 2.265 389 D HA -0.076 4.564 4.640 0.000 0.000 0.208 389 D C 1.909 178.149 176.300 -0.100 0.000 0.977 389 D CA 1.369 55.411 54.000 0.069 0.000 0.871 389 D CB 0.028 40.931 40.800 0.170 0.000 0.925 389 D HN 0.680 nan 8.370 nan 0.000 0.485 390 A N -0.029 122.734 122.820 -0.095 0.000 1.902 390 A HA -0.086 4.234 4.320 0.000 0.000 0.217 390 A C 2.091 179.563 177.584 -0.186 0.000 1.181 390 A CA 1.139 53.111 52.037 -0.109 0.000 0.623 390 A CB -0.459 18.495 19.000 -0.076 0.000 0.818 390 A HN 0.427 nan 8.150 nan 0.000 0.443 391 I N -1.286 119.121 120.570 -0.272 0.000 3.941 391 I HA 0.043 4.213 4.170 0.000 0.000 0.321 391 I C 0.048 175.866 176.117 -0.499 0.000 1.284 391 I CA 0.469 61.575 61.300 -0.324 0.000 1.226 391 I CB 0.029 37.845 38.000 -0.307 0.000 1.045 391 I HN 0.156 nan 8.210 nan 0.000 0.420 392 S N 1.573 116.775 115.700 -0.829 0.000 3.866 392 S HA -0.114 4.356 4.470 0.000 0.000 0.427 392 S C -0.088 173.559 174.600 -1.588 0.000 0.891 392 S CA 0.411 57.641 58.200 -1.617 0.000 1.275 392 S CB -1.894 60.880 63.200 -0.709 0.000 0.872 392 S HN 0.565 nan 8.310 nan 0.000 0.562 393 T N 1.088 114.746 114.554 -1.495 0.000 2.923 393 T HA 0.696 5.046 4.350 0.000 0.000 0.311 393 T C -0.472 174.031 174.700 -0.328 0.000 1.183 393 T CA -0.699 60.963 62.100 -0.731 0.000 1.020 393 T CB 2.367 70.881 68.868 -0.590 0.000 1.165 393 T HN 0.190 nan 8.240 nan 0.000 0.482 394 T N 2.248 116.584 114.554 -0.362 0.000 2.991 394 T HA 0.648 4.998 4.350 0.000 0.000 0.303 394 T C -1.333 173.144 174.700 -0.373 0.000 1.015 394 T CA -0.486 61.542 62.100 -0.120 0.000 1.007 394 T CB 0.452 69.409 68.868 0.148 0.000 1.034 394 T HN 0.378 nan 8.240 nan 0.000 0.446 395 F N 1.778 121.816 119.950 0.148 0.000 2.507 395 F HA 0.660 5.187 4.527 0.000 0.000 0.327 395 F C 0.978 176.938 175.800 0.266 0.000 1.068 395 F CA -0.931 57.166 58.000 0.161 0.000 0.965 395 F CB 1.831 40.891 39.000 0.100 0.000 1.192 395 F HN 0.435 nan 8.300 nan 0.000 0.476 396 T N -1.334 113.479 114.554 0.432 0.000 2.792 396 T HA 0.692 5.042 4.350 0.000 0.000 0.280 396 T C -0.494 174.422 174.700 0.360 0.000 0.990 396 T CA -0.675 61.643 62.100 0.363 0.000 0.960 396 T CB 1.264 70.290 68.868 0.263 0.000 0.939 396 T HN 0.783 nan 8.240 nan 0.000 0.439 397 T N 0.766 115.556 114.554 0.394 0.000 2.906 397 T HA 0.556 4.906 4.350 0.000 0.000 0.295 397 T C -0.203 174.722 174.700 0.376 0.000 1.061 397 T CA -1.041 61.278 62.100 0.366 0.000 1.000 397 T CB 1.192 70.290 68.868 0.383 0.000 1.103 397 T HN 0.511 nan 8.240 nan 0.000 0.486 398 N N 0.883 119.779 118.700 0.326 0.000 2.267 398 N HA 0.126 4.866 4.740 0.000 0.000 0.226 398 N C 1.427 177.203 175.510 0.444 0.000 1.314 398 N CA -0.394 52.838 53.050 0.305 0.000 0.887 398 N CB 0.208 38.839 38.487 0.240 0.000 1.120 398 N HN 0.623 nan 8.380 nan 0.000 0.440 399 L N -0.388 121.053 121.223 0.363 0.000 2.217 399 L HA -0.069 4.271 4.340 0.000 0.000 0.211 399 L C 1.370 178.569 176.870 0.548 0.000 1.107 399 L CA 0.728 55.850 54.840 0.471 0.000 0.783 399 L CB -0.627 41.565 42.059 0.222 0.000 0.919 399 L HN 0.623 nan 8.230 nan 0.000 0.442 400 T N -3.035 111.745 114.554 0.378 0.000 2.824 400 T HA 0.275 4.625 4.350 0.000 0.000 0.277 400 T C 0.274 175.121 174.700 0.246 0.000 0.975 400 T CA -0.804 61.464 62.100 0.279 0.000 0.966 400 T CB 1.703 70.674 68.868 0.171 0.000 1.054 400 T HN 0.048 nan 8.240 nan 0.000 0.533 401 E N -0.462 119.751 120.200 0.022 0.000 3.466 401 E HA 0.356 4.706 4.350 0.000 0.000 0.265 401 E C -1.496 175.130 176.600 0.043 0.000 1.291 401 E CA -0.737 55.539 56.400 -0.207 0.000 1.226 401 E CB 0.600 30.101 29.700 -0.331 0.000 1.404 401 E HN 0.666 nan 8.360 nan 0.000 0.697 402 Y N 0.641 120.874 120.300 -0.112 0.000 2.307 402 Y HA 0.288 4.838 4.550 0.000 0.000 0.323 402 Y C -2.634 173.221 175.900 -0.075 0.000 1.100 402 Y CA -2.220 55.848 58.100 -0.054 0.000 1.140 402 Y CB 1.358 39.804 38.460 -0.025 0.000 1.159 402 Y HN 0.196 nan 8.280 nan 0.000 0.436 403 P HA 0.193 nan 4.420 nan 0.000 0.271 403 P C 0.503 177.474 177.300 -0.549 0.000 1.220 403 P CA 0.004 62.851 63.100 -0.422 0.000 0.768 403 P CB 1.012 32.506 31.700 -0.344 0.000 0.848 404 L N 1.085 122.101 121.223 -0.344 0.000 2.633 404 L HA -0.107 4.233 4.340 0.000 0.000 0.235 404 L C 1.717 178.448 176.870 -0.232 0.000 1.163 404 L CA 0.818 55.485 54.840 -0.287 0.000 0.859 404 L CB -0.659 41.210 42.059 -0.317 0.000 0.973 404 L HN 0.371 nan 8.230 nan 0.000 0.451 405 S N 0.035 115.589 115.700 -0.243 0.000 2.371 405 S HA -0.079 4.391 4.470 0.000 0.000 0.224 405 S C 1.957 176.458 174.600 -0.165 0.000 1.029 405 S CA 0.890 58.984 58.200 -0.176 0.000 0.978 405 S CB -0.120 62.987 63.200 -0.156 0.000 0.833 405 S HN 0.447 nan 8.310 nan 0.000 0.466 406 R N 0.958 121.313 120.500 -0.242 0.000 2.316 406 R HA 0.087 4.427 4.340 0.000 0.000 0.202 406 R C 0.004 176.265 176.300 -0.064 0.000 1.029 406 R CA 0.153 56.152 56.100 -0.169 0.000 1.018 406 R CB -0.252 29.898 30.300 -0.249 0.000 0.888 406 R HN 0.210 nan 8.270 nan 0.000 0.471 407 V N 1.511 121.384 119.914 -0.070 0.000 2.732 407 V HA 0.005 4.125 4.120 0.000 0.000 0.297 407 V C 0.154 176.237 176.094 -0.019 0.000 1.060 407 V CA -0.486 61.815 62.300 0.001 0.000 1.038 407 V CB 1.457 33.270 31.823 -0.017 0.000 1.003 407 V HN 0.017 nan 8.190 nan 0.000 0.481 408 D N 3.620 124.024 120.400 0.006 0.000 2.317 408 D HA 0.344 4.984 4.640 0.000 0.000 0.234 408 D C 0.655 176.973 176.300 0.030 0.000 1.112 408 D CA -0.258 53.764 54.000 0.036 0.000 0.840 408 D CB 0.601 41.462 40.800 0.101 0.000 1.078 408 D HN 0.551 nan 8.370 nan 0.000 0.486 409 L N 2.748 123.968 121.223 -0.005 0.000 3.976 409 L HA -0.238 4.103 4.340 0.000 0.000 0.418 409 L C 1.112 177.946 176.870 -0.061 0.000 1.177 409 L CA 0.685 55.500 54.840 -0.042 0.000 0.968 409 L CB -1.272 40.781 42.059 -0.010 0.000 1.933 409 L HN 0.559 nan 8.230 nan 0.000 0.976 410 G N -0.918 107.835 108.800 -0.079 0.000 3.581 410 G HA2 0.278 4.238 3.960 0.000 0.000 0.255 410 G HA3 0.278 4.238 3.960 0.000 0.000 0.255 410 G C 0.608 175.413 174.900 -0.158 0.000 1.121 410 G CA -0.081 44.945 45.100 -0.123 0.000 1.739 410 G HN 0.253 nan 8.290 nan 0.000 0.646 411 D N 0.123 120.448 120.400 -0.126 0.000 2.137 411 D HA -0.123 4.517 4.640 0.000 0.000 0.202 411 D C 2.774 179.013 176.300 -0.101 0.000 0.970 411 D CA 1.304 55.233 54.000 -0.117 0.000 0.837 411 D CB -0.155 40.583 40.800 -0.104 0.000 0.981 411 D HN 0.472 nan 8.370 nan 0.000 0.475 412 c N 0.524 119.079 118.600 -0.074 0.000 2.411 412 c HA -0.069 4.501 4.570 0.000 0.000 0.279 412 c C 2.546 176.613 174.090 -0.039 0.000 1.288 412 c CA -0.249 56.072 56.329 -0.014 0.000 1.764 412 c CB -1.453 41.084 42.510 0.045 0.000 1.974 412 c HN 0.219 nan 8.230 nan 0.000 0.498 413 I N 2.333 122.758 120.570 -0.241 0.000 2.043 413 I HA -0.162 4.008 4.170 0.000 0.000 0.231 413 I C 3.096 179.056 176.117 -0.262 0.000 1.024 413 I CA 2.256 63.184 61.300 -0.621 0.000 1.309 413 I CB -1.459 36.091 38.000 -0.750 0.000 1.030 413 I HN 0.469 nan 8.210 nan 0.000 0.389 414 G N 0.645 109.318 108.800 -0.213 0.000 2.469 414 G HA2 -0.268 3.692 3.960 0.000 0.000 0.220 414 G HA3 -0.268 3.692 3.960 0.000 0.000 0.220 414 G C 1.675 176.622 174.900 0.078 0.000 1.136 414 G CA 1.073 46.158 45.100 -0.024 0.000 0.759 414 G HN 0.409 nan 8.290 nan 0.000 0.562 415 K N 0.468 120.893 120.400 0.041 0.000 2.009 415 K HA -0.077 4.243 4.320 0.000 0.000 0.210 415 K C 2.194 178.869 176.600 0.124 0.000 1.049 415 K CA 1.496 57.824 56.287 0.068 0.000 0.929 415 K CB -0.201 32.325 32.500 0.043 0.000 0.714 415 K HN 0.173 nan 8.250 nan 0.000 0.440 416 D N 0.838 121.353 120.400 0.192 0.000 2.117 416 D HA -0.119 4.521 4.640 0.000 0.000 0.198 416 D C 1.940 178.400 176.300 0.267 0.000 0.982 416 D CA 1.303 55.452 54.000 0.248 0.000 0.828 416 D CB -0.348 40.679 40.800 0.377 0.000 0.967 416 D HN 0.230 nan 8.370 nan 0.000 0.464 417 A N 1.246 124.304 122.820 0.396 0.000 1.865 417 A HA -0.233 4.088 4.320 0.000 0.000 0.217 417 A C 2.232 179.918 177.584 0.171 0.000 1.191 417 A CA 1.648 53.891 52.037 0.343 0.000 0.623 417 A CB -0.561 18.732 19.000 0.489 0.000 0.826 417 A HN 0.088 nan 8.150 nan 0.000 0.444 418 R N -0.501 120.087 120.500 0.147 0.000 2.082 418 R HA -0.178 4.162 4.340 0.000 0.000 0.234 418 R C 1.883 178.224 176.300 0.068 0.000 1.136 418 R CA 1.965 58.113 56.100 0.081 0.000 0.935 418 R CB -0.502 29.841 30.300 0.071 0.000 0.842 418 R HN 0.518 nan 8.270 nan 0.000 0.430 419 D N 0.046 120.492 120.400 0.077 0.000 2.126 419 D HA -0.230 4.410 4.640 0.000 0.000 0.190 419 D C 1.709 178.045 176.300 0.061 0.000 1.001 419 D CA 1.910 55.950 54.000 0.066 0.000 0.841 419 D CB -0.428 40.412 40.800 0.068 0.000 0.949 419 D HN 0.388 nan 8.370 nan 0.000 0.446 420 A N 0.404 123.260 122.820 0.061 0.000 1.851 420 A HA -0.226 4.094 4.320 0.000 0.000 0.216 420 A C 2.296 179.906 177.584 0.044 0.000 1.195 420 A CA 1.984 54.046 52.037 0.041 0.000 0.622 420 A CB -0.701 18.312 19.000 0.021 0.000 0.831 420 A HN 0.165 nan 8.150 nan 0.000 0.444 421 M N -0.534 119.089 119.600 0.038 0.000 2.065 421 M HA -0.193 4.287 4.480 0.000 0.000 0.259 421 M C 1.810 178.151 176.300 0.069 0.000 1.071 421 M CA 1.974 57.288 55.300 0.023 0.000 1.109 421 M CB -0.843 31.740 32.600 -0.028 0.000 1.313 421 M HN 0.348 nan 8.290 nan 0.000 0.408 422 D N -0.085 120.352 120.400 0.063 0.000 2.133 422 D HA -0.204 4.436 4.640 0.000 0.000 0.195 422 D C 1.885 178.277 176.300 0.153 0.000 0.997 422 D CA 1.280 55.348 54.000 0.113 0.000 0.840 422 D CB -0.577 40.268 40.800 0.075 0.000 0.947 422 D HN 0.371 nan 8.370 nan 0.000 0.452 423 R N 0.745 121.306 120.500 0.102 0.000 2.083 423 R HA -0.144 4.196 4.340 0.000 0.000 0.237 423 R C 2.421 178.780 176.300 0.099 0.000 1.137 423 R CA 1.210 57.362 56.100 0.086 0.000 0.951 423 R CB -0.352 29.983 30.300 0.059 0.000 0.851 423 R HN 0.195 nan 8.270 nan 0.000 0.434 424 I N 0.052 120.690 120.570 0.114 0.000 2.252 424 I HA -0.227 3.943 4.170 0.000 0.000 0.245 424 I C 2.229 178.475 176.117 0.215 0.000 1.102 424 I CA 0.913 62.294 61.300 0.136 0.000 1.385 424 I CB -0.406 37.671 38.000 0.127 0.000 1.064 424 I HN 0.159 nan 8.210 nan 0.000 0.414 425 F N 2.070 122.076 119.950 0.093 0.000 2.373 425 F HA -0.137 4.390 4.527 0.000 0.000 0.300 425 F C 2.131 178.013 175.800 0.137 0.000 1.080 425 F CA 0.984 59.066 58.000 0.136 0.000 1.417 425 F CB -0.107 38.914 39.000 0.035 0.000 1.070 425 F HN -0.006 nan 8.300 nan 0.000 0.546 426 A N -0.349 122.487 122.820 0.026 0.000 2.275 426 A HA 0.132 4.452 4.320 0.000 0.000 0.212 426 A C 2.261 179.802 177.584 -0.072 0.000 1.201 426 A CA 0.083 52.081 52.037 -0.065 0.000 0.843 426 A CB -0.467 18.553 19.000 0.034 0.000 0.873 426 A HN 0.376 nan 8.150 nan 0.000 0.492 427 R N -0.875 119.601 120.500 -0.040 0.000 2.105 427 R HA 0.138 4.478 4.340 0.000 0.000 0.214 427 R C 2.098 178.344 176.300 -0.091 0.000 1.091 427 R CA 1.111 57.184 56.100 -0.044 0.000 1.007 427 R CB 0.066 30.360 30.300 -0.010 0.000 0.912 427 R HN 0.529 nan 8.270 nan 0.000 0.450 428 R N -1.593 118.832 120.500 -0.126 0.000 2.610 428 R HA 0.051 4.391 4.340 0.000 0.000 0.171 428 R C 1.645 177.799 176.300 -0.244 0.000 0.892 428 R CA 0.020 55.985 56.100 -0.224 0.000 1.086 428 R CB -0.220 29.855 30.300 -0.375 0.000 1.320 428 R HN 0.039 nan 8.270 nan 0.000 0.582 429 Y N 2.612 122.819 120.300 -0.154 0.000 2.333 429 Y HA -0.173 4.377 4.550 0.000 0.000 0.290 429 Y C 1.982 177.603 175.900 -0.465 0.000 1.144 429 Y CA 1.688 59.721 58.100 -0.110 0.000 1.228 429 Y CB -0.542 37.952 38.460 0.057 0.000 0.985 429 Y HN 0.470 nan 8.280 nan 0.000 0.542 430 N N 0.484 118.711 118.700 -0.788 0.000 2.258 430 N HA -0.217 4.523 4.740 0.000 0.000 0.187 430 N C 1.483 176.843 175.510 -0.250 0.000 1.012 430 N CA 1.709 54.257 53.050 -0.835 0.000 0.870 430 N CB -0.332 37.816 38.487 -0.566 0.000 0.977 430 N HN 0.268 nan 8.380 nan 0.000 0.434 431 A N -0.588 122.140 122.820 -0.153 0.000 1.963 431 A HA 0.093 4.413 4.320 0.000 0.000 0.207 431 A C 2.273 179.834 177.584 -0.037 0.000 1.243 431 A CA 1.028 53.025 52.037 -0.068 0.000 0.728 431 A CB -0.849 18.109 19.000 -0.071 0.000 0.895 431 A HN 0.488 nan 8.150 nan 0.000 0.467 432 T N -1.969 112.567 114.554 -0.030 0.000 2.851 432 T HA 0.119 4.469 4.350 0.000 0.000 0.262 432 T C 0.980 175.555 174.700 -0.209 0.000 1.043 432 T CA 1.221 63.251 62.100 -0.117 0.000 1.140 432 T CB -0.368 68.431 68.868 -0.114 0.000 0.872 432 T HN 0.500 nan 8.240 nan 0.000 0.446 433 H N -0.402 118.771 119.070 0.172 0.000 2.995 433 H HA 0.827 5.383 4.556 0.000 0.000 0.305 433 H C -0.650 174.884 175.328 0.344 0.000 1.510 433 H CA -1.343 54.869 56.048 0.273 0.000 1.376 433 H CB 1.148 31.160 29.762 0.417 0.000 1.918 433 H HN 0.145 nan 8.280 nan 0.000 0.709 434 I N 0.211 121.059 120.570 0.463 0.000 2.752 434 I HA 0.211 4.381 4.170 0.000 0.000 0.295 434 I C -0.669 175.511 176.117 0.106 0.000 1.219 434 I CA -1.050 60.455 61.300 0.341 0.000 1.030 434 I CB 2.426 40.543 38.000 0.195 0.000 1.259 434 I HN 0.309 nan 8.210 nan 0.000 0.423 435 K N 2.796 123.093 120.400 -0.170 0.000 2.397 435 K HA 0.255 4.575 4.320 0.000 0.000 0.265 435 K C -0.758 175.776 176.600 -0.111 0.000 0.982 435 K CA 0.015 56.120 56.287 -0.302 0.000 0.931 435 K CB 0.676 32.912 32.500 -0.440 0.000 0.943 435 K HN 0.279 nan 8.250 nan 0.000 0.501 436 V N 1.760 121.613 119.914 -0.103 0.000 2.564 436 V HA 0.326 4.446 4.120 0.000 0.000 0.259 436 V C 0.094 176.197 176.094 0.015 0.000 0.936 436 V CA -0.228 62.078 62.300 0.009 0.000 0.867 436 V CB 0.303 32.145 31.823 0.032 0.000 1.076 436 V HN 1.122 nan 8.190 nan 0.000 0.476 437 G N 3.341 112.167 108.800 0.044 0.000 2.757 437 G HA2 -0.156 3.804 3.960 0.000 0.000 0.638 437 G HA3 -0.156 3.804 3.960 0.000 0.000 0.638 437 G C -0.525 174.350 174.900 -0.041 0.000 1.344 437 G CA -0.641 44.481 45.100 0.036 0.000 0.855 437 G HN 0.593 nan 8.290 nan 0.000 0.537 438 Q N 0.496 120.277 119.800 -0.032 0.000 2.454 438 Q HA 0.372 4.712 4.340 0.000 0.000 0.247 438 Q C -1.894 174.054 176.000 -0.087 0.000 1.028 438 Q CA -0.979 54.795 55.803 -0.048 0.000 0.910 438 Q CB 0.195 28.923 28.738 -0.017 0.000 1.276 438 Q HN 0.443 nan 8.270 nan 0.000 0.489 439 P HA -0.127 nan 4.420 nan 0.000 0.264 439 P C -1.182 175.948 177.300 -0.283 0.000 1.179 439 P CA 0.686 63.650 63.100 -0.227 0.000 0.763 439 P CB 0.411 31.988 31.700 -0.205 0.000 0.806 440 Q N 1.570 121.149 119.800 -0.367 0.000 2.333 440 Q HA 0.455 4.795 4.340 0.000 0.000 0.267 440 Q C -1.158 174.560 176.000 -0.470 0.000 1.012 440 Q CA -0.519 55.112 55.803 -0.286 0.000 0.824 440 Q CB 1.692 30.450 28.738 0.033 0.000 1.290 440 Q HN 0.434 nan 8.270 nan 0.000 0.449 441 Y N 1.379 121.523 120.300 -0.259 0.000 2.331 441 Y HA 0.452 5.002 4.550 0.000 0.000 0.334 441 Y C -1.015 174.667 175.900 -0.363 0.000 0.960 441 Y CA -0.740 57.263 58.100 -0.160 0.000 1.130 441 Y CB 1.163 39.597 38.460 -0.044 0.000 1.164 441 Y HN 0.509 nan 8.280 nan 0.000 0.458 442 Y N 2.540 122.891 120.300 0.086 0.000 2.536 442 Y HA 0.591 5.141 4.550 0.000 0.000 0.347 442 Y C -0.994 174.896 175.900 -0.016 0.000 1.000 442 Y CA -1.323 56.800 58.100 0.040 0.000 1.051 442 Y CB 1.681 40.111 38.460 -0.050 0.000 1.259 442 Y HN 0.439 nan 8.280 nan 0.000 0.468 443 L N 2.421 123.733 121.223 0.149 0.000 2.296 443 L HA 0.875 5.215 4.340 0.000 0.000 0.286 443 L C -0.249 176.697 176.870 0.127 0.000 1.023 443 L CA -0.439 54.418 54.840 0.029 0.000 0.812 443 L CB 0.669 42.637 42.059 -0.152 0.000 1.223 443 L HN 0.784 nan 8.230 nan 0.000 0.421 444 A N 3.806 126.721 122.820 0.157 0.000 2.256 444 A HA 0.630 4.950 4.320 0.000 0.000 0.318 444 A C -0.176 177.600 177.584 0.321 0.000 1.103 444 A CA -0.742 51.462 52.037 0.277 0.000 0.860 444 A CB 0.297 19.515 19.000 0.362 0.000 1.182 444 A HN 0.755 nan 8.150 nan 0.000 0.501 445 N N -0.444 118.472 118.700 0.359 0.000 2.453 445 N HA 0.412 5.152 4.740 0.000 0.000 0.253 445 N C 1.029 176.835 175.510 0.494 0.000 1.252 445 N CA 1.473 54.704 53.050 0.302 0.000 0.917 445 N CB 0.725 39.337 38.487 0.209 0.000 1.117 445 N HN 1.332 nan 8.380 nan 0.000 0.442 446 G N -0.376 108.587 108.800 0.270 0.000 2.175 446 G HA2 -0.112 3.848 3.960 0.000 0.000 0.244 446 G HA3 -0.112 3.848 3.960 0.000 0.000 0.244 446 G C 0.600 175.592 174.900 0.154 0.000 0.982 446 G CA 0.338 45.676 45.100 0.397 0.000 0.641 446 G HN 1.390 nan 8.290 nan 0.000 0.527 447 G N -1.161 107.694 108.800 0.091 0.000 2.248 447 G HA2 -0.047 3.914 3.960 0.000 0.000 0.263 447 G HA3 -0.047 3.914 3.960 0.000 0.000 0.263 447 G C -0.024 174.699 174.900 -0.295 0.000 1.082 447 G CA 0.339 45.357 45.100 -0.137 0.000 0.863 447 G HN 1.271 nan 8.290 nan 0.000 0.495 448 F N -0.832 119.155 119.950 0.062 0.000 2.444 448 F HA 0.650 5.177 4.527 0.000 0.000 0.342 448 F C 0.347 176.125 175.800 -0.038 0.000 1.121 448 F CA -1.335 56.687 58.000 0.037 0.000 0.997 448 F CB 1.816 40.874 39.000 0.097 0.000 1.130 448 F HN 0.122 nan 8.300 nan 0.000 0.454 449 L N 5.470 126.768 121.223 0.124 0.000 2.276 449 L HA 0.573 4.913 4.340 0.000 0.000 0.286 449 L C -0.772 176.167 176.870 0.115 0.000 1.061 449 L CA -0.317 54.569 54.840 0.077 0.000 0.807 449 L CB 0.438 42.534 42.059 0.060 0.000 1.177 449 L HN 0.452 nan 8.230 nan 0.000 0.429 450 I N 5.722 126.312 120.570 0.033 0.000 2.355 450 I HA 0.489 4.659 4.170 0.000 0.000 0.288 450 I C 0.051 176.218 176.117 0.082 0.000 0.999 450 I CA -0.680 60.576 61.300 -0.074 0.000 1.163 450 I CB 1.573 39.304 38.000 -0.448 0.000 1.316 450 I HN 0.774 nan 8.210 nan 0.000 0.454 451 A N 6.765 129.676 122.820 0.151 0.000 2.276 451 A HA 0.515 4.835 4.320 0.000 0.000 0.300 451 A C -1.288 176.294 177.584 -0.002 0.000 1.235 451 A CA -0.097 51.949 52.037 0.015 0.000 0.867 451 A CB 0.234 19.363 19.000 0.215 0.000 1.137 451 A HN 0.626 nan 8.150 nan 0.000 0.527 452 Y N 1.535 121.709 120.300 -0.211 0.000 2.373 452 Y HA 0.476 5.026 4.550 0.000 0.000 0.336 452 Y C -0.350 175.491 175.900 -0.099 0.000 0.979 452 Y CA -0.538 57.512 58.100 -0.084 0.000 1.080 452 Y CB 1.807 40.300 38.460 0.055 0.000 1.190 452 Y HN 0.693 nan 8.280 nan 0.000 0.446 453 Q N 8.781 128.201 119.800 -0.632 0.000 2.363 453 Q HA 0.473 4.813 4.340 0.000 0.000 0.265 453 Q C -2.772 172.753 176.000 -0.793 0.000 1.032 453 Q CA -2.316 53.143 55.803 -0.573 0.000 0.746 453 Q CB 1.741 30.253 28.738 -0.376 0.000 1.237 453 Q HN 0.415 nan 8.270 nan 0.000 0.475 454 P HA 0.096 nan 4.420 nan 0.000 0.270 454 P C -1.018 176.116 177.300 -0.276 0.000 1.227 454 P CA 0.123 62.970 63.100 -0.422 0.000 0.788 454 P CB 0.613 32.236 31.700 -0.130 0.000 0.926 455 L N 0.682 121.820 121.223 -0.143 0.000 2.466 455 L HA 0.521 4.861 4.340 0.000 0.000 0.258 455 L C -0.915 176.022 176.870 0.113 0.000 0.973 455 L CA -0.511 54.290 54.840 -0.065 0.000 0.826 455 L CB 1.805 43.719 42.059 -0.242 0.000 1.372 455 L HN 0.170 nan 8.230 nan 0.000 0.409 456 L N 1.432 122.782 121.223 0.212 0.000 2.470 456 L HA 0.429 4.769 4.340 0.000 0.000 0.268 456 L C -0.301 176.738 176.870 0.280 0.000 0.964 456 L CA -0.363 54.626 54.840 0.247 0.000 0.839 456 L CB 2.299 44.447 42.059 0.149 0.000 1.276 456 L HN 0.557 nan 8.230 nan 0.000 0.403 457 S N 0.972 116.806 115.700 0.225 0.000 2.576 457 S HA 0.064 4.534 4.470 0.000 0.000 0.276 457 S C 1.265 175.873 174.600 0.013 0.000 1.339 457 S CA -0.209 57.965 58.200 -0.044 0.000 1.039 457 S CB 0.671 63.722 63.200 -0.248 0.000 0.902 457 S HN 0.783 nan 8.310 nan 0.000 0.516 458 N N 3.095 121.792 118.700 -0.005 0.000 2.247 458 N HA -0.176 4.564 4.740 0.000 0.000 0.189 458 N C 1.308 176.824 175.510 0.010 0.000 1.009 458 N CA 2.133 55.191 53.050 0.014 0.000 0.872 458 N CB -0.894 37.597 38.487 0.005 0.000 0.980 458 N HN 0.550 nan 8.380 nan 0.000 0.436 459 T N -0.637 113.914 114.554 -0.004 0.000 2.778 459 T HA -0.099 4.251 4.350 0.000 0.000 0.269 459 T C 1.622 176.335 174.700 0.022 0.000 1.050 459 T CA 1.812 63.915 62.100 0.005 0.000 1.137 459 T CB -0.474 68.394 68.868 -0.001 0.000 0.860 459 T HN 0.518 nan 8.240 nan 0.000 0.468 460 L N 0.091 121.335 121.223 0.035 0.000 3.017 460 L HA 0.878 5.218 4.340 0.000 0.000 0.255 460 L C 1.140 178.039 176.870 0.049 0.000 1.247 460 L CA -0.203 54.664 54.840 0.046 0.000 1.038 460 L CB -1.634 40.462 42.059 0.062 0.000 1.380 460 L HN 0.439 nan 8.230 nan 0.000 0.548 469 L N 2.232 123.514 121.223 0.099 0.000 2.129 469 L HA -0.055 4.285 4.340 0.000 0.000 0.212 469 L C 3.044 179.891 176.870 -0.038 0.000 1.087 469 L CA 3.776 58.633 54.840 0.029 0.000 0.757 469 L CB -2.812 39.311 42.059 0.107 0.000 0.896 469 L HN 0.638 nan 8.230 nan 0.000 0.434 470 R N -0.127 120.375 120.500 0.004 0.000 2.105 470 R HA -0.179 4.161 4.340 0.000 0.000 0.239 470 R C 2.111 178.430 176.300 0.031 0.000 1.135 470 R CA 1.556 57.680 56.100 0.040 0.000 0.967 470 R CB -1.262 29.085 30.300 0.077 0.000 0.861 470 R HN 0.836 nan 8.270 nan 0.000 0.442 471 E N 0.765 120.936 120.200 -0.048 0.000 2.110 471 E HA -0.088 4.262 4.350 0.000 0.000 0.193 471 E C 1.900 178.455 176.600 -0.076 0.000 0.988 471 E CA 1.252 57.620 56.400 -0.054 0.000 0.804 471 E CB -0.978 28.634 29.700 -0.147 0.000 0.745 471 E HN 0.844 nan 8.360 nan 0.000 0.458 472 Q N 0.948 120.653 119.800 -0.157 0.000 2.841 472 Q HA 0.216 4.556 4.340 0.000 0.000 0.198 472 Q C 0.892 176.886 176.000 -0.010 0.000 1.135 472 Q CA 0.775 56.528 55.803 -0.084 0.000 1.167 472 Q CB -0.495 28.195 28.738 -0.079 0.000 1.288 472 Q HN 0.508 nan 8.270 nan 0.000 0.670 473 S N -4.419 111.284 115.700 0.005 0.000 3.473 473 S HA -0.236 4.234 4.470 0.000 0.000 0.339 473 S C 0.950 175.577 174.600 0.045 0.000 1.148 473 S CA 2.385 60.601 58.200 0.027 0.000 0.969 473 S CB -2.479 60.743 63.200 0.037 0.000 0.936 473 S HN 2.128 nan 8.310 nan 0.000 0.530 474 R N 0.755 121.274 120.500 0.032 0.000 2.153 474 R HA 0.334 4.674 4.340 0.000 0.000 0.218 474 R C 1.183 177.492 176.300 0.014 0.000 1.072 474 R CA 1.510 57.635 56.100 0.041 0.000 0.990 474 R CB -0.605 29.695 30.300 0.000 0.000 0.889 474 R HN 0.916 nan 8.270 nan 0.000 0.452 492 V N 1.499 121.420 119.914 0.011 0.000 3.001 492 V HA 0.829 4.949 4.120 0.000 0.000 0.314 492 V C -0.338 175.773 176.094 0.029 0.000 1.099 492 V CA -0.565 61.743 62.300 0.014 0.000 0.989 492 V CB 1.593 33.425 31.823 0.016 0.000 1.040 492 V HN 1.143 nan 8.190 nan 0.000 0.434 493 E N 2.016 122.233 120.200 0.028 0.000 2.440 493 E HA 0.816 5.166 4.350 0.000 0.000 0.263 493 E C -0.937 175.665 176.600 0.003 0.000 0.938 493 E CA -1.231 55.182 56.400 0.022 0.000 0.831 493 E CB 2.740 32.455 29.700 0.025 0.000 1.456 493 E HN 0.534 nan 8.360 nan 0.000 0.427 494 R N 0.186 120.662 120.500 -0.041 0.000 2.740 494 R HA 0.519 4.859 4.340 0.000 0.000 0.273 494 R C -1.373 174.865 176.300 -0.104 0.000 0.998 494 R CA -0.643 55.397 56.100 -0.100 0.000 0.900 494 R CB 1.745 31.904 30.300 -0.235 0.000 1.223 494 R HN 0.626 nan 8.270 nan 0.000 0.466 495 I N 3.304 123.802 120.570 -0.120 0.000 2.385 495 I HA 0.314 4.484 4.170 0.000 0.000 0.294 495 I C -0.205 175.820 176.117 -0.155 0.000 0.988 495 I CA -0.760 60.459 61.300 -0.135 0.000 1.265 495 I CB 1.460 39.366 38.000 -0.157 0.000 1.388 495 I HN 0.373 nan 8.210 nan 0.000 0.480 496 K N 4.338 124.647 120.400 -0.151 0.000 2.164 496 K HA 0.570 4.890 4.320 0.000 0.000 0.258 496 K C -0.696 175.777 176.600 -0.211 0.000 0.951 496 K CA -0.573 55.617 56.287 -0.161 0.000 0.844 496 K CB 2.001 34.426 32.500 -0.124 0.000 1.099 496 K HN 0.475 nan 8.250 nan 0.000 0.435 497 T N 0.782 115.182 114.554 -0.256 0.000 2.876 497 T HA 0.285 4.636 4.350 0.000 0.000 0.289 497 T C -0.377 174.159 174.700 -0.274 0.000 1.014 497 T CA -0.771 61.083 62.100 -0.410 0.000 0.986 497 T CB 1.465 69.971 68.868 -0.604 0.000 1.021 497 T HN 0.621 nan 8.240 nan 0.000 0.458 498 T N -0.298 114.136 114.554 -0.200 0.000 2.851 498 T HA 0.220 4.570 4.350 0.000 0.000 0.298 498 T C 1.495 176.234 174.700 0.064 0.000 0.977 498 T CA -0.458 61.653 62.100 0.017 0.000 1.126 498 T CB 0.769 69.757 68.868 0.199 0.000 0.916 498 T HN 0.563 nan 8.240 nan 0.000 0.529 499 S N 1.722 117.439 115.700 0.028 0.000 2.547 499 S HA 0.033 4.503 4.470 0.000 0.000 0.235 499 S C 0.936 175.584 174.600 0.079 0.000 0.980 499 S CA -0.035 58.174 58.200 0.014 0.000 0.941 499 S CB -0.189 63.006 63.200 -0.007 0.000 0.763 499 S HN 0.764 nan 8.310 nan 0.000 0.532 500 S N 0.582 116.384 115.700 0.170 0.000 2.474 500 S HA 0.568 5.038 4.470 0.000 0.000 0.321 500 S C -0.408 174.365 174.600 0.289 0.000 1.080 500 S CA -0.850 57.465 58.200 0.193 0.000 1.106 500 S CB 0.823 64.130 63.200 0.178 0.000 0.984 500 S HN 0.303 nan 8.310 nan 0.000 0.464 501 I N 5.112 125.747 120.570 0.110 0.000 3.801 501 I HA 0.408 4.578 4.170 0.000 0.000 0.338 501 I C 0.914 176.862 176.117 -0.281 0.000 1.513 501 I CA 0.083 61.300 61.300 -0.138 0.000 1.197 501 I CB -0.202 37.772 38.000 -0.043 0.000 1.300 501 I HN 0.628 nan 8.210 nan 0.000 0.433 502 E N 0.632 120.752 120.200 -0.132 0.000 2.166 502 E HA -0.071 4.279 4.350 0.000 0.000 0.192 502 E C 1.888 178.397 176.600 -0.152 0.000 0.967 502 E CA 0.889 57.222 56.400 -0.112 0.000 0.840 502 E CB -0.499 29.204 29.700 0.004 0.000 0.795 502 E HN 0.634 nan 8.360 nan 0.000 0.470 503 F N 1.189 121.114 119.950 -0.042 0.000 2.236 503 F HA -0.057 4.470 4.527 0.000 0.000 0.302 503 F C 2.099 177.851 175.800 -0.080 0.000 1.073 503 F CA 1.045 59.018 58.000 -0.046 0.000 1.336 503 F CB -0.659 38.331 39.000 -0.016 0.000 1.040 503 F HN -0.039 nan 8.300 nan 0.000 0.507 504 A N 1.469 123.697 122.820 -0.987 0.000 1.855 504 A HA -0.005 4.315 4.320 0.000 0.000 0.213 504 A C 2.346 179.667 177.584 -0.438 0.000 1.195 504 A CA 0.944 52.504 52.037 -0.794 0.000 0.610 504 A CB -0.692 17.552 19.000 -1.259 0.000 0.837 504 A HN 0.393 nan 8.150 nan 0.000 0.444 505 R N -0.324 119.931 120.500 -0.408 0.000 2.200 505 R HA -0.043 4.297 4.340 0.000 0.000 0.234 505 R C 1.900 178.164 176.300 -0.060 0.000 1.127 505 R CA 1.085 57.041 56.100 -0.240 0.000 0.989 505 R CB -0.530 29.630 30.300 -0.234 0.000 0.869 505 R HN 0.481 nan 8.270 nan 0.000 0.459 506 L N 0.227 121.405 121.223 -0.075 0.000 2.007 506 L HA -0.200 4.140 4.340 0.000 0.000 0.205 506 L C 2.666 179.567 176.870 0.052 0.000 1.073 506 L CA 1.232 56.070 54.840 -0.003 0.000 0.744 506 L CB -0.439 41.613 42.059 -0.011 0.000 0.898 506 L HN 0.090 nan 8.230 nan 0.000 0.435 507 Q N 0.057 119.872 119.800 0.025 0.000 2.029 507 Q HA -0.303 4.037 4.340 0.000 0.000 0.209 507 Q C 1.999 178.069 176.000 0.115 0.000 0.999 507 Q CA 2.336 58.175 55.803 0.061 0.000 0.857 507 Q CB -0.735 28.024 28.738 0.036 0.000 0.926 507 Q HN 0.372 nan 8.270 nan 0.000 0.415 508 F N 0.319 120.225 119.950 -0.072 0.000 2.045 508 F HA -0.361 4.166 4.527 0.000 0.000 0.297 508 F C 2.000 177.791 175.800 -0.015 0.000 1.114 508 F CA 2.548 60.507 58.000 -0.068 0.000 1.207 508 F CB -1.003 37.864 39.000 -0.222 0.000 0.964 508 F HN 0.135 nan 8.300 nan 0.000 0.486 509 T N -0.111 114.498 114.554 0.091 0.000 2.580 509 T HA -0.321 4.029 4.350 0.000 0.000 0.265 509 T C 1.484 176.166 174.700 -0.029 0.000 1.063 509 T CA 1.927 64.017 62.100 -0.016 0.000 1.170 509 T CB -1.180 67.738 68.868 0.083 0.000 0.863 509 T HN 0.537 nan 8.240 nan 0.000 0.418 510 Y N 2.993 123.257 120.300 -0.060 0.000 2.002 510 Y HA -0.356 4.194 4.550 0.000 0.000 0.268 510 Y C 2.325 178.182 175.900 -0.071 0.000 1.177 510 Y CA 2.150 60.218 58.100 -0.054 0.000 1.111 510 Y CB -0.650 37.788 38.460 -0.036 0.000 0.952 510 Y HN 0.172 nan 8.280 nan 0.000 0.491 511 N N -0.408 118.352 118.700 0.101 0.000 2.011 511 N HA -0.253 4.487 4.740 0.000 0.000 0.199 511 N C 1.804 177.214 175.510 -0.167 0.000 1.047 511 N CA 2.154 55.179 53.050 -0.042 0.000 0.863 511 N CB -1.183 37.293 38.487 -0.019 0.000 1.056 511 N HN 0.569 nan 8.380 nan 0.000 0.427 512 H N -0.008 118.859 119.070 -0.338 0.000 2.460 512 H HA -0.066 4.490 4.556 0.000 0.000 0.297 512 H C 1.962 177.150 175.328 -0.234 0.000 1.103 512 H CA 1.092 56.930 56.048 -0.351 0.000 1.292 512 H CB 0.042 29.451 29.762 -0.589 0.000 1.376 512 H HN 0.247 nan 8.280 nan 0.000 0.531 513 I N 0.237 120.725 120.570 -0.137 0.000 2.260 513 I HA -0.223 3.947 4.170 0.000 0.000 0.237 513 I C 2.816 178.834 176.117 -0.166 0.000 1.075 513 I CA 0.659 61.867 61.300 -0.154 0.000 1.376 513 I CB -0.467 37.421 38.000 -0.186 0.000 1.107 513 I HN 0.188 nan 8.210 nan 0.000 0.420 514 Q N 1.454 121.051 119.800 -0.338 0.000 2.047 514 Q HA -0.290 4.051 4.340 0.000 0.000 0.211 514 Q C 2.412 178.306 176.000 -0.177 0.000 1.005 514 Q CA 2.080 57.678 55.803 -0.341 0.000 0.866 514 Q CB -0.125 28.284 28.738 -0.548 0.000 0.938 514 Q HN 0.303 nan 8.270 nan 0.000 0.414 515 R N -0.021 120.378 120.500 -0.168 0.000 2.119 515 R HA -0.191 4.149 4.340 0.000 0.000 0.246 515 R C 2.334 178.588 176.300 -0.077 0.000 1.146 515 R CA 1.827 57.851 56.100 -0.126 0.000 0.962 515 R CB -1.590 28.616 30.300 -0.157 0.000 0.863 515 R HN 0.606 nan 8.270 nan 0.000 0.442 516 H N 1.090 120.076 119.070 -0.140 0.000 2.256 516 H HA -0.089 4.467 4.556 0.000 0.000 0.299 516 H C 2.026 177.302 175.328 -0.087 0.000 1.071 516 H CA 2.446 58.433 56.048 -0.102 0.000 1.280 516 H CB -0.194 29.511 29.762 -0.095 0.000 1.370 516 H HN 0.043 nan 8.280 nan 0.000 0.490 517 V N 0.863 120.826 119.914 0.082 0.000 2.324 517 V HA -0.270 3.850 4.120 0.000 0.000 0.250 517 V C 1.959 178.006 176.094 -0.079 0.000 1.060 517 V CA 2.260 64.571 62.300 0.018 0.000 1.042 517 V CB -0.680 31.148 31.823 0.008 0.000 0.650 517 V HN 0.286 nan 8.190 nan 0.000 0.450 518 N N 0.958 119.607 118.700 -0.085 0.000 2.028 518 N HA -0.179 4.561 4.740 0.000 0.000 0.194 518 N C 1.798 177.250 175.510 -0.097 0.000 1.050 518 N CA 1.933 54.935 53.050 -0.080 0.000 0.848 518 N CB -1.000 37.445 38.487 -0.069 0.000 1.038 518 N HN 0.645 nan 8.380 nan 0.000 0.423 519 D N -0.082 120.245 120.400 -0.122 0.000 2.228 519 D HA -0.147 4.493 4.640 0.000 0.000 0.203 519 D C 1.614 177.822 176.300 -0.154 0.000 0.988 519 D CA 0.838 54.762 54.000 -0.127 0.000 0.864 519 D CB 0.120 40.836 40.800 -0.140 0.000 0.928 519 D HN 0.132 nan 8.370 nan 0.000 0.469 520 M N -0.275 119.195 119.600 -0.217 0.000 2.102 520 M HA -0.026 4.454 4.480 0.000 0.000 0.259 520 M C 2.647 178.885 176.300 -0.103 0.000 1.083 520 M CA 0.549 55.732 55.300 -0.195 0.000 1.141 520 M CB -1.252 31.186 32.600 -0.270 0.000 1.318 520 M HN 0.043 nan 8.290 nan 0.000 0.421 521 L N 0.005 121.176 121.223 -0.087 0.000 2.051 521 L HA -0.218 4.122 4.340 0.000 0.000 0.214 521 L C 2.584 179.425 176.870 -0.049 0.000 1.076 521 L CA 1.587 56.390 54.840 -0.061 0.000 0.758 521 L CB -1.555 40.469 42.059 -0.059 0.000 0.890 521 L HN 0.446 nan 8.230 nan 0.000 0.433 522 G N -0.106 108.664 108.800 -0.049 0.000 2.529 522 G HA2 -0.311 3.649 3.960 0.000 0.000 0.219 522 G HA3 -0.311 3.649 3.960 0.000 0.000 0.219 522 G C 1.652 176.541 174.900 -0.017 0.000 1.177 522 G CA 0.959 46.040 45.100 -0.031 0.000 0.773 522 G HN 0.339 nan 8.290 nan 0.000 0.573 523 R N -0.203 120.281 120.500 -0.026 0.000 2.139 523 R HA -0.075 4.265 4.340 0.000 0.000 0.243 523 R C 2.623 178.930 176.300 0.013 0.000 1.145 523 R CA 1.212 57.305 56.100 -0.011 0.000 0.976 523 R CB -0.584 29.700 30.300 -0.027 0.000 0.866 523 R HN 0.358 nan 8.270 nan 0.000 0.449 524 V N 1.030 120.949 119.914 0.008 0.000 2.223 524 V HA -0.262 3.858 4.120 0.000 0.000 0.244 524 V C 2.528 178.674 176.094 0.086 0.000 1.045 524 V CA 1.994 64.317 62.300 0.038 0.000 1.000 524 V CB -0.971 30.851 31.823 -0.002 0.000 0.635 524 V HN 0.421 nan 8.190 nan 0.000 0.445 525 A N 0.015 122.860 122.820 0.041 0.000 1.940 525 A HA -0.273 4.047 4.320 0.000 0.000 0.221 525 A C 2.165 179.838 177.584 0.148 0.000 1.190 525 A CA 2.536 54.617 52.037 0.072 0.000 0.647 525 A CB -0.735 18.274 19.000 0.016 0.000 0.821 525 A HN 0.544 nan 8.150 nan 0.000 0.457 526 I N -0.590 120.035 120.570 0.091 0.000 2.076 526 I HA -0.310 3.860 4.170 0.000 0.000 0.237 526 I C 3.054 179.227 176.117 0.093 0.000 1.059 526 I CA 1.270 62.618 61.300 0.080 0.000 1.317 526 I CB -0.704 37.322 38.000 0.043 0.000 1.037 526 I HN 0.380 nan 8.210 nan 0.000 0.398 527 A N 1.098 123.967 122.820 0.082 0.000 1.892 527 A HA -0.287 4.033 4.320 0.000 0.000 0.218 527 A C 2.268 179.906 177.584 0.089 0.000 1.188 527 A CA 1.943 54.015 52.037 0.057 0.000 0.631 527 A CB -1.369 17.663 19.000 0.052 0.000 0.822 527 A HN 0.771 nan 8.150 nan 0.000 0.447 528 W N 0.289 121.577 121.300 -0.020 0.000 2.332 528 W HA -0.290 4.370 4.660 0.000 0.000 0.321 528 W C 2.563 179.082 176.519 0.001 0.000 1.219 528 W CA 2.190 59.529 57.345 -0.010 0.000 1.277 528 W CB -0.987 28.469 29.460 -0.006 0.000 1.161 528 W HN 0.486 nan 8.180 nan 0.000 0.476 529 c N 1.923 120.665 118.600 0.237 0.000 2.385 529 c HA -0.253 4.317 4.570 0.000 0.000 0.275 529 c C 2.537 176.630 174.090 0.005 0.000 1.207 529 c CA 2.288 58.686 56.329 0.115 0.000 1.760 529 c CB -1.240 41.357 42.510 0.144 0.000 2.051 529 c HN 0.484 nan 8.230 nan 0.000 0.467 530 E N -0.117 120.092 120.200 0.015 0.000 2.085 530 E HA -0.232 4.118 4.350 0.000 0.000 0.194 530 E C 1.996 178.562 176.600 -0.057 0.000 0.994 530 E CA 1.445 57.853 56.400 0.013 0.000 0.801 530 E CB -0.388 29.298 29.700 -0.023 0.000 0.743 530 E HN 0.656 nan 8.360 nan 0.000 0.453 531 L N 1.489 122.604 121.223 -0.181 0.000 1.989 531 L HA -0.254 4.086 4.340 0.000 0.000 0.211 531 L C 2.104 178.868 176.870 -0.177 0.000 1.071 531 L CA 1.877 56.569 54.840 -0.246 0.000 0.749 531 L CB -0.517 41.347 42.059 -0.326 0.000 0.890 531 L HN 0.029 nan 8.230 nan 0.000 0.431 532 Q N -0.059 119.574 119.800 -0.279 0.000 2.234 532 Q HA -0.176 4.164 4.340 0.000 0.000 0.206 532 Q C 2.011 177.995 176.000 -0.026 0.000 0.980 532 Q CA 1.463 57.149 55.803 -0.194 0.000 0.869 532 Q CB -0.897 27.688 28.738 -0.255 0.000 0.912 532 Q HN 0.643 nan 8.270 nan 0.000 0.436 533 N N 0.362 119.085 118.700 0.038 0.000 2.080 533 N HA -0.137 4.603 4.740 0.000 0.000 0.189 533 N C 1.712 177.293 175.510 0.119 0.000 1.036 533 N CA 1.314 54.421 53.050 0.095 0.000 0.846 533 N CB -0.637 37.934 38.487 0.140 0.000 1.015 533 N HN 0.423 nan 8.380 nan 0.000 0.423 534 H N 1.332 120.385 119.070 -0.029 0.000 2.353 534 H HA 0.039 4.595 4.556 0.000 0.000 0.300 534 H C 1.803 177.122 175.328 -0.014 0.000 1.090 534 H CA 0.966 57.001 56.048 -0.023 0.000 1.327 534 H CB -0.150 29.589 29.762 -0.038 0.000 1.383 534 H HN 0.221 nan 8.280 nan 0.000 0.508 535 E N 0.380 120.650 120.200 0.117 0.000 2.097 535 E HA -0.169 4.181 4.350 0.000 0.000 0.196 535 E C 2.325 179.039 176.600 0.190 0.000 1.000 535 E CA 0.677 57.127 56.400 0.084 0.000 0.804 535 E CB -0.561 29.208 29.700 0.114 0.000 0.740 535 E HN 0.302 nan 8.360 nan 0.000 0.454 536 L N 1.388 122.747 121.223 0.226 0.000 2.043 536 L HA -0.171 4.169 4.340 0.000 0.000 0.212 536 L C 2.143 179.132 176.870 0.197 0.000 1.075 536 L CA 2.055 57.050 54.840 0.258 0.000 0.752 536 L CB -1.089 41.041 42.059 0.119 0.000 0.891 536 L HN 0.044 nan 8.230 nan 0.000 0.432 537 T N 0.004 114.615 114.554 0.095 0.000 2.760 537 T HA -0.226 4.124 4.350 0.000 0.000 0.269 537 T C 1.870 176.594 174.700 0.040 0.000 1.047 537 T CA 1.937 64.067 62.100 0.051 0.000 1.139 537 T CB -0.326 68.539 68.868 -0.005 0.000 0.855 537 T HN 0.356 nan 8.240 nan 0.000 0.471 538 L N -1.538 119.682 121.223 -0.006 0.000 2.102 538 L HA 0.071 4.411 4.340 0.000 0.000 0.202 538 L C 2.434 179.257 176.870 -0.077 0.000 1.076 538 L CA 1.069 55.841 54.840 -0.114 0.000 0.761 538 L CB -0.642 41.247 42.059 -0.282 0.000 0.921 538 L HN 0.314 nan 8.230 nan 0.000 0.444 539 W N 1.041 122.351 121.300 0.018 0.000 2.331 539 W HA -0.192 4.468 4.660 0.000 0.000 0.291 539 W C 2.525 179.166 176.519 0.203 0.000 1.214 539 W CA 0.639 58.018 57.345 0.056 0.000 1.228 539 W CB -0.537 28.866 29.460 -0.096 0.000 1.135 539 W HN 0.205 nan 8.180 nan 0.000 0.537 540 N N 0.381 119.310 118.700 0.382 0.000 2.039 540 N HA -0.165 4.575 4.740 0.000 0.000 0.193 540 N C 1.550 177.160 175.510 0.168 0.000 1.044 540 N CA 1.618 54.842 53.050 0.290 0.000 0.847 540 N CB -0.813 37.790 38.487 0.193 0.000 1.030 540 N HN 0.161 nan 8.380 nan 0.000 0.422 541 E N 1.033 121.294 120.200 0.103 0.000 2.150 541 E HA -0.035 4.315 4.350 0.000 0.000 0.193 541 E C 1.901 178.535 176.600 0.057 0.000 0.985 541 E CA 0.656 57.089 56.400 0.055 0.000 0.814 541 E CB -0.333 29.379 29.700 0.019 0.000 0.752 541 E HN 0.330 nan 8.360 nan 0.000 0.466 542 A N 2.358 125.218 122.820 0.067 0.000 1.877 542 A HA -0.232 4.088 4.320 0.000 0.000 0.216 542 A C 2.217 179.870 177.584 0.115 0.000 1.186 542 A CA 1.977 54.048 52.037 0.056 0.000 0.620 542 A CB -0.638 18.361 19.000 -0.002 0.000 0.822 542 A HN 0.326 nan 8.150 nan 0.000 0.443 543 R N 0.080 120.696 120.500 0.194 0.000 2.159 543 R HA -0.139 4.201 4.340 0.000 0.000 0.237 543 R C 1.704 178.059 176.300 0.091 0.000 1.131 543 R CA 1.706 57.913 56.100 0.179 0.000 0.982 543 R CB -0.486 29.936 30.300 0.204 0.000 0.868 543 R HN 0.467 nan 8.270 nan 0.000 0.453 544 K N 0.874 121.315 120.400 0.069 0.000 2.147 544 K HA -0.057 4.263 4.320 0.000 0.000 0.205 544 K C 2.097 178.720 176.600 0.039 0.000 1.049 544 K CA 1.480 57.791 56.287 0.040 0.000 0.936 544 K CB -0.131 32.388 32.500 0.031 0.000 0.722 544 K HN 0.251 nan 8.250 nan 0.000 0.446 545 L N 0.096 121.345 121.223 0.045 0.000 2.071 545 L HA -0.037 4.303 4.340 0.000 0.000 0.201 545 L C 1.205 178.103 176.870 0.046 0.000 1.076 545 L CA 0.645 55.509 54.840 0.039 0.000 0.755 545 L CB -0.158 41.919 42.059 0.030 0.000 0.915 545 L HN 0.130 nan 8.230 nan 0.000 0.445 546 N N -0.540 118.195 118.700 0.058 0.000 2.813 546 N HA 0.176 4.916 4.740 0.000 0.000 0.282 546 N C -2.098 173.457 175.510 0.075 0.000 1.748 546 N CA -1.818 51.269 53.050 0.062 0.000 0.860 546 N CB 0.862 39.385 38.487 0.061 0.000 1.204 546 N HN -0.141 nan 8.380 nan 0.000 0.490 547 P HA -0.104 nan 4.420 nan 0.000 0.215 547 P C 0.695 178.032 177.300 0.061 0.000 1.157 547 P CA 1.475 64.616 63.100 0.067 0.000 0.874 547 P CB 0.279 32.003 31.700 0.040 0.000 0.790 548 N N -0.698 118.030 118.700 0.047 0.000 2.192 548 N HA -0.174 4.566 4.740 0.000 0.000 0.188 548 N C 1.574 177.102 175.510 0.030 0.000 1.013 548 N CA 1.684 54.755 53.050 0.035 0.000 0.863 548 N CB -0.648 37.860 38.487 0.035 0.000 0.990 548 N HN 0.179 nan 8.380 nan 0.000 0.430 549 A N 0.167 123.017 122.820 0.050 0.000 1.909 549 A HA 0.178 4.498 4.320 0.000 0.000 0.210 549 A C 1.973 179.611 177.584 0.091 0.000 1.273 549 A CA 0.211 52.279 52.037 0.053 0.000 0.654 549 A CB -0.457 18.578 19.000 0.059 0.000 0.945 549 A HN 0.040 nan 8.150 nan 0.000 0.471 550 I N 0.992 121.646 120.570 0.141 0.000 2.145 550 I HA -0.333 3.837 4.170 0.000 0.000 0.244 550 I C 2.864 179.090 176.117 0.181 0.000 1.075 550 I CA 1.760 63.200 61.300 0.232 0.000 1.332 550 I CB -0.549 37.630 38.000 0.297 0.000 1.033 550 I HN 0.346 nan 8.210 nan 0.000 0.410 551 A N -0.906 121.998 122.820 0.139 0.000 1.873 551 A HA -0.191 4.129 4.320 0.000 0.000 0.215 551 A C 2.480 180.091 177.584 0.046 0.000 1.186 551 A CA 2.070 54.170 52.037 0.106 0.000 0.616 551 A CB -1.055 17.988 19.000 0.072 0.000 0.823 551 A HN 0.401 nan 8.150 nan 0.000 0.442 552 S N -0.350 115.363 115.700 0.022 0.000 2.387 552 S HA -0.172 4.298 4.470 0.000 0.000 0.230 552 S C 1.851 176.437 174.600 -0.023 0.000 1.035 552 S CA 1.620 59.806 58.200 -0.023 0.000 1.014 552 S CB -0.496 62.668 63.200 -0.059 0.000 0.836 552 S HN 0.365 nan 8.310 nan 0.000 0.466 553 V N 1.347 121.265 119.914 0.007 0.000 2.453 553 V HA -0.119 4.001 4.120 0.000 0.000 0.247 553 V C 2.283 178.340 176.094 -0.062 0.000 1.048 553 V CA 1.918 64.217 62.300 -0.002 0.000 1.049 553 V CB -1.189 30.674 31.823 0.067 0.000 0.672 553 V HN 0.505 nan 8.190 nan 0.000 0.457 554 T N -0.453 114.055 114.554 -0.077 0.000 3.085 554 T HA -0.011 4.339 4.350 0.000 0.000 0.263 554 T C 1.507 176.165 174.700 -0.070 0.000 1.127 554 T CA 0.913 62.928 62.100 -0.140 0.000 1.103 554 T CB 0.170 68.976 68.868 -0.103 0.000 0.921 554 T HN 0.351 nan 8.240 nan 0.000 0.510 555 V N -0.047 119.846 119.914 -0.036 0.000 3.643 555 V HA 0.391 4.511 4.120 0.000 0.000 0.280 555 V C 1.902 177.977 176.094 -0.030 0.000 1.351 555 V CA 0.346 62.632 62.300 -0.024 0.000 1.073 555 V CB -0.373 31.444 31.823 -0.010 0.000 0.863 555 V HN 0.518 nan 8.190 nan 0.000 0.436 556 G N 2.379 111.156 108.800 -0.039 0.000 2.168 556 G HA2 -0.294 3.666 3.960 0.000 0.000 0.257 556 G HA3 -0.294 3.666 3.960 0.000 0.000 0.257 556 G C 0.242 175.122 174.900 -0.034 0.000 0.997 556 G CA 0.689 45.769 45.100 -0.033 0.000 0.708 556 G HN 0.815 nan 8.290 nan 0.000 0.520 557 R N -2.202 118.268 120.500 -0.050 0.000 2.604 557 R HA 0.621 4.961 4.340 0.000 0.000 0.261 557 R C -0.458 175.765 176.300 -0.128 0.000 1.080 557 R CA -1.341 54.716 56.100 -0.072 0.000 0.917 557 R CB 0.888 31.171 30.300 -0.029 0.000 1.252 557 R HN -0.030 nan 8.270 nan 0.000 0.456 558 R N 1.604 121.941 120.500 -0.271 0.000 2.473 558 R HA 0.159 4.499 4.340 0.000 0.000 0.315 558 R C 0.049 176.238 176.300 -0.185 0.000 0.972 558 R CA 0.049 55.914 56.100 -0.391 0.000 1.047 558 R CB 0.311 29.958 30.300 -1.089 0.000 0.932 558 R HN 0.568 nan 8.270 nan 0.000 0.411 559 V N -0.762 119.089 119.914 -0.104 0.000 3.049 559 V HA 0.525 4.645 4.120 0.000 0.000 0.309 559 V C -0.044 176.044 176.094 -0.010 0.000 1.148 559 V CA -1.075 61.206 62.300 -0.031 0.000 0.990 559 V CB 2.507 34.321 31.823 -0.015 0.000 1.039 559 V HN 0.565 nan 8.190 nan 0.000 0.430 560 S N 1.963 117.671 115.700 0.014 0.000 2.528 560 S HA 0.785 5.255 4.470 0.000 0.000 0.277 560 S C 0.147 174.758 174.600 0.018 0.000 1.297 560 S CA 0.224 58.437 58.200 0.023 0.000 1.052 560 S CB 0.933 64.153 63.200 0.034 0.000 0.917 560 S HN 1.667 nan 8.310 nan 0.000 0.492 561 A N 3.709 126.541 122.820 0.020 0.000 2.422 561 A HA 0.821 5.141 4.320 0.000 0.000 0.302 561 A C -0.356 177.238 177.584 0.017 0.000 1.041 561 A CA -1.081 50.966 52.037 0.017 0.000 0.708 561 A CB 1.311 20.325 19.000 0.023 0.000 1.257 561 A HN 0.917 nan 8.150 nan 0.000 0.414 562 R N 1.777 122.281 120.500 0.006 0.000 2.643 562 R HA 0.624 4.964 4.340 0.000 0.000 0.269 562 R C -1.427 174.866 176.300 -0.011 0.000 1.037 562 R CA -0.948 55.154 56.100 0.004 0.000 0.894 562 R CB 1.000 31.306 30.300 0.009 0.000 1.238 562 R HN 0.462 nan 8.270 nan 0.000 0.459 563 M N 3.201 122.794 119.600 -0.013 0.000 2.156 563 M HA 0.177 4.657 4.480 0.000 0.000 0.345 563 M C -0.741 175.545 176.300 -0.024 0.000 1.398 563 M CA -0.660 54.623 55.300 -0.028 0.000 1.148 563 M CB 0.480 33.065 32.600 -0.024 0.000 1.663 563 M HN 0.561 nan 8.290 nan 0.000 0.464 564 L N 4.995 126.199 121.223 -0.031 0.000 2.353 564 L HA 0.517 4.857 4.340 0.000 0.000 0.269 564 L C 0.753 177.605 176.870 -0.029 0.000 1.085 564 L CA 0.777 55.602 54.840 -0.024 0.000 0.938 564 L CB -0.168 41.878 42.059 -0.022 0.000 1.312 564 L HN 0.977 nan 8.230 nan 0.000 0.429 565 G N 3.171 111.957 108.800 -0.024 0.000 2.536 565 G HA2 -0.331 3.629 3.960 0.000 0.000 0.277 565 G HA3 -0.331 3.629 3.960 0.000 0.000 0.277 565 G C 0.581 175.460 174.900 -0.035 0.000 1.155 565 G CA 0.319 45.404 45.100 -0.025 0.000 0.960 565 G HN 0.410 nan 8.290 nan 0.000 0.544 566 D N 0.578 120.954 120.400 -0.041 0.000 2.301 566 D HA 0.224 4.864 4.640 0.000 0.000 0.206 566 D C 1.941 178.187 176.300 -0.090 0.000 0.979 566 D CA 1.171 55.139 54.000 -0.054 0.000 0.874 566 D CB 0.090 40.865 40.800 -0.041 0.000 0.968 566 D HN 0.802 nan 8.370 nan 0.000 0.510 567 V N -1.296 118.568 119.914 -0.084 0.000 3.653 567 V HA 0.420 4.540 4.120 0.000 0.000 0.282 567 V C 0.189 176.214 176.094 -0.116 0.000 0.993 567 V CA -0.857 61.376 62.300 -0.112 0.000 0.986 567 V CB 1.219 32.996 31.823 -0.077 0.000 1.249 567 V HN -0.060 nan 8.190 nan 0.000 0.423 568 M N 1.616 121.145 119.600 -0.118 0.000 2.106 568 M HA 0.701 5.181 4.480 0.000 0.000 0.288 568 M C -0.341 175.927 176.300 -0.054 0.000 0.941 568 M CA -0.643 54.600 55.300 -0.095 0.000 0.934 568 M CB 1.168 33.689 32.600 -0.132 0.000 1.551 568 M HN 1.126 nan 8.290 nan 0.000 0.437 569 A N 4.431 127.230 122.820 -0.035 0.000 2.454 569 A HA 0.574 4.894 4.320 0.000 0.000 0.260 569 A C -0.450 177.128 177.584 -0.011 0.000 1.106 569 A CA -0.327 51.699 52.037 -0.019 0.000 0.780 569 A CB -0.071 18.922 19.000 -0.012 0.000 1.044 569 A HN 0.948 nan 8.150 nan 0.000 0.498 570 V N -0.127 119.783 119.914 -0.006 0.000 3.114 570 V HA 0.955 5.075 4.120 0.000 0.000 0.308 570 V C -0.318 175.779 176.094 0.006 0.000 1.168 570 V CA -0.532 61.769 62.300 0.002 0.000 1.015 570 V CB 1.875 33.699 31.823 0.001 0.000 1.050 570 V HN 0.905 nan 8.190 nan 0.000 0.433 571 S N 0.714 116.421 115.700 0.012 0.000 2.592 571 S HA 0.532 5.002 4.470 0.000 0.000 0.275 571 S C -0.250 174.364 174.600 0.022 0.000 1.169 571 S CA -0.569 57.640 58.200 0.016 0.000 0.958 571 S CB 1.784 64.995 63.200 0.018 0.000 1.095 571 S HN 1.112 nan 8.310 nan 0.000 0.471 572 T N 2.094 116.662 114.554 0.023 0.000 2.854 572 T HA 0.085 4.435 4.350 0.000 0.000 0.336 572 T C 0.627 175.360 174.700 0.055 0.000 1.095 572 T CA 0.057 62.176 62.100 0.032 0.000 1.118 572 T CB -0.028 68.863 68.868 0.037 0.000 1.025 572 T HN 0.685 nan 8.240 nan 0.000 0.549 573 c N 1.547 120.192 118.600 0.076 0.000 2.345 573 c HA 0.645 5.215 4.570 0.000 0.000 0.369 573 c C 0.452 174.684 174.090 0.236 0.000 1.273 573 c CA -0.665 55.755 56.329 0.152 0.000 2.310 573 c CB 0.852 43.450 42.510 0.146 0.000 2.219 573 c HN 0.662 nan 8.230 nan 0.000 0.587 574 V N 2.829 122.902 119.914 0.265 0.000 2.448 574 V HA 0.345 4.465 4.120 0.000 0.000 0.295 574 V C -2.323 173.797 176.094 0.045 0.000 1.025 574 V CA -1.351 61.048 62.300 0.165 0.000 0.859 574 V CB 1.642 33.530 31.823 0.107 0.000 0.988 574 V HN 0.741 nan 8.190 nan 0.000 0.431 575 P HA 0.287 nan 4.420 nan 0.000 0.271 575 P C -1.007 176.186 177.300 -0.177 0.000 1.216 575 P CA 0.014 62.852 63.100 -0.436 0.000 0.776 575 P CB 0.808 32.356 31.700 -0.253 0.000 0.881 576 V N 2.212 122.000 119.914 -0.209 0.000 2.686 576 V HA 0.554 4.674 4.120 0.000 0.000 0.306 576 V C 0.062 176.119 176.094 -0.063 0.000 1.065 576 V CA -1.173 61.080 62.300 -0.078 0.000 0.894 576 V CB 1.867 33.592 31.823 -0.162 0.000 1.004 576 V HN 0.645 nan 8.190 nan 0.000 0.424 577 A N 3.028 125.827 122.820 -0.035 0.000 2.520 577 A HA 0.559 4.879 4.320 0.000 0.000 0.245 577 A C 1.424 178.985 177.584 -0.039 0.000 1.072 577 A CA 0.577 52.600 52.037 -0.024 0.000 0.761 577 A CB 0.503 19.496 19.000 -0.012 0.000 1.004 577 A HN 1.524 nan 8.150 nan 0.000 0.499 578 A N 1.927 124.754 122.820 0.012 0.000 2.014 578 A HA -0.021 4.299 4.320 0.000 0.000 0.218 578 A C 1.370 178.932 177.584 -0.037 0.000 1.163 578 A CA 1.661 53.712 52.037 0.023 0.000 0.652 578 A CB -0.366 18.692 19.000 0.097 0.000 0.808 578 A HN 0.760 nan 8.150 nan 0.000 0.449 579 D N 0.508 120.898 120.400 -0.017 0.000 2.310 579 D HA -0.077 4.563 4.640 0.000 0.000 0.212 579 D C 0.854 177.138 176.300 -0.027 0.000 0.965 579 D CA 0.770 54.764 54.000 -0.010 0.000 0.879 579 D CB -0.164 40.636 40.800 0.000 0.000 0.921 579 D HN 0.374 nan 8.370 nan 0.000 0.510 580 N N -0.211 118.459 118.700 -0.050 0.000 2.280 580 N HA 0.033 4.773 4.740 0.000 0.000 0.192 580 N C -0.379 175.087 175.510 -0.074 0.000 1.109 580 N CA 0.082 53.099 53.050 -0.054 0.000 0.855 580 N CB 1.121 39.580 38.487 -0.047 0.000 0.974 580 N HN 0.024 nan 8.380 nan 0.000 0.482 581 V N 1.654 121.495 119.914 -0.122 0.000 2.483 581 V HA 0.502 4.622 4.120 0.000 0.000 0.295 581 V C -0.022 176.037 176.094 -0.057 0.000 1.035 581 V CA -0.873 61.326 62.300 -0.169 0.000 0.896 581 V CB 2.395 33.919 31.823 -0.499 0.000 0.986 581 V HN 0.007 nan 8.190 nan 0.000 0.447 582 I N 3.742 124.311 120.570 -0.001 0.000 2.722 582 I HA 0.633 4.803 4.170 0.000 0.000 0.295 582 I C -1.150 175.021 176.117 0.090 0.000 1.161 582 I CA -0.694 60.651 61.300 0.075 0.000 1.032 582 I CB 2.326 40.337 38.000 0.017 0.000 1.244 582 I HN 0.482 nan 8.210 nan 0.000 0.421 583 V N 6.221 126.210 119.914 0.124 0.000 2.837 583 V HA 0.399 4.519 4.120 0.000 0.000 0.310 583 V C -0.298 175.794 176.094 -0.003 0.000 1.059 583 V CA -0.191 62.157 62.300 0.081 0.000 1.004 583 V CB 1.836 33.719 31.823 0.100 0.000 1.045 583 V HN 0.885 nan 8.190 nan 0.000 0.465 584 Q N 3.379 123.186 119.800 0.012 0.000 2.243 584 Q HA 0.253 4.593 4.340 0.000 0.000 0.252 584 Q C 0.531 176.598 176.000 0.111 0.000 0.909 584 Q CA -0.593 55.216 55.803 0.011 0.000 0.922 584 Q CB 1.124 29.850 28.738 -0.019 0.000 1.215 584 Q HN 0.834 nan 8.270 nan 0.000 0.427 585 N N 1.332 120.072 118.700 0.067 0.000 2.272 585 N HA -0.112 4.628 4.740 0.000 0.000 0.185 585 N C 0.143 175.837 175.510 0.305 0.000 1.014 585 N CA 0.718 53.852 53.050 0.140 0.000 0.870 585 N CB 0.035 38.553 38.487 0.052 0.000 0.975 585 N HN 0.365 nan 8.380 nan 0.000 0.433 586 S N 0.015 115.841 115.700 0.210 0.000 2.457 586 S HA 0.368 4.838 4.470 0.000 0.000 0.289 586 S C 0.837 175.553 174.600 0.194 0.000 1.163 586 S CA -0.556 57.769 58.200 0.207 0.000 1.078 586 S CB 0.671 63.950 63.200 0.131 0.000 0.987 586 S HN 0.033 nan 8.310 nan 0.000 0.482 587 M N 4.030 123.785 119.600 0.259 0.000 2.428 587 M HA 0.210 4.690 4.480 0.000 0.000 0.239 587 M C 0.623 177.146 176.300 0.373 0.000 1.121 587 M CA 0.095 55.549 55.300 0.256 0.000 1.019 587 M CB 0.209 32.963 32.600 0.256 0.000 1.485 587 M HN 0.463 nan 8.290 nan 0.000 0.484 588 R N 0.842 121.481 120.500 0.232 0.000 2.607 588 R HA 0.666 5.006 4.340 0.000 0.000 0.261 588 R C -0.427 175.936 176.300 0.106 0.000 1.051 588 R CA -0.644 55.487 56.100 0.051 0.000 1.110 588 R CB 1.267 31.556 30.300 -0.018 0.000 1.158 588 R HN 0.108 nan 8.270 nan 0.000 0.543 589 I N 0.945 121.478 120.570 -0.062 0.000 2.405 589 I HA 0.141 4.311 4.170 0.000 0.000 0.280 589 I C 0.660 176.753 176.117 -0.039 0.000 1.027 589 I CA -0.292 60.982 61.300 -0.044 0.000 1.161 589 I CB 1.915 39.781 38.000 -0.223 0.000 1.300 589 I HN 0.602 nan 8.210 nan 0.000 0.463 590 S N 2.733 118.437 115.700 0.006 0.000 2.383 590 S HA -0.165 4.305 4.470 0.000 0.000 0.229 590 S C 1.994 176.584 174.600 -0.017 0.000 1.030 590 S CA 1.978 60.175 58.200 -0.005 0.000 1.002 590 S CB -0.073 63.134 63.200 0.011 0.000 0.829 590 S HN 0.858 nan 8.310 nan 0.000 0.467 591 S N 0.431 116.123 115.700 -0.014 0.000 2.527 591 S HA 0.213 4.683 4.470 0.000 0.000 0.222 591 S C 0.995 175.570 174.600 -0.042 0.000 0.985 591 S CA 0.313 58.501 58.200 -0.020 0.000 0.921 591 S CB -0.221 62.975 63.200 -0.007 0.000 0.772 591 S HN 0.490 nan 8.310 nan 0.000 0.529 592 R N 1.433 121.893 120.500 -0.068 0.000 2.639 592 R HA 0.691 5.031 4.340 0.000 0.000 0.273 592 R C -3.420 172.809 176.300 -0.117 0.000 1.732 592 R CA -1.904 54.139 56.100 -0.095 0.000 1.586 592 R CB -0.743 29.481 30.300 -0.127 0.000 1.263 592 R HN 0.337 nan 8.270 nan 0.000 0.615 593 P HA 0.334 nan 4.420 nan 0.000 0.271 593 P C 1.251 178.484 177.300 -0.111 0.000 1.233 593 P CA 1.752 64.793 63.100 -0.098 0.000 0.789 593 P CB 1.270 32.930 31.700 -0.068 0.000 0.951 594 G N -0.375 108.352 108.800 -0.122 0.000 2.550 594 G HA2 -0.239 3.721 3.960 0.000 0.000 0.233 594 G HA3 -0.239 3.721 3.960 0.000 0.000 0.233 594 G C 0.397 175.202 174.900 -0.159 0.000 1.170 594 G CA 0.297 45.326 45.100 -0.119 0.000 0.693 594 G HN 0.895 nan 8.290 nan 0.000 0.512 595 A N -0.839 121.872 122.820 -0.181 0.000 2.311 595 A HA 0.834 5.154 4.320 0.000 0.000 0.334 595 A C 0.360 177.748 177.584 -0.327 0.000 1.139 595 A CA 0.477 52.382 52.037 -0.220 0.000 0.830 595 A CB 1.463 20.352 19.000 -0.184 0.000 1.234 595 A HN 1.320 nan 8.150 nan 0.000 0.483 596 c N -1.660 116.716 118.600 -0.373 0.000 3.312 596 c HA 0.699 5.269 4.570 0.000 0.000 0.368 596 c C -0.946 172.916 174.090 -0.379 0.000 2.465 596 c CA -0.766 55.290 56.329 -0.455 0.000 1.359 596 c CB 0.241 42.289 42.510 -0.771 0.000 2.896 596 c HN 0.794 nan 8.230 nan 0.000 0.470 597 Y N 0.755 121.049 120.300 -0.010 0.000 2.419 597 Y HA 0.374 4.924 4.550 0.000 0.000 0.328 597 Y C 1.524 177.494 175.900 0.116 0.000 1.162 597 Y CA 0.042 58.163 58.100 0.035 0.000 1.174 597 Y CB 1.392 39.847 38.460 -0.008 0.000 1.228 597 Y HN 0.751 nan 8.280 nan 0.000 0.473 598 S N 0.914 116.762 115.700 0.247 0.000 2.478 598 S HA 0.263 4.733 4.470 0.000 0.000 0.222 598 S C 0.313 174.967 174.600 0.090 0.000 1.008 598 S CA -0.040 58.283 58.200 0.205 0.000 0.928 598 S CB 0.108 63.410 63.200 0.170 0.000 0.781 598 S HN 0.635 nan 8.310 nan 0.000 0.518 599 R N 1.477 121.973 120.500 -0.007 0.000 2.538 599 R HA 0.500 4.840 4.340 0.000 0.000 0.292 599 R C -3.271 172.833 176.300 -0.325 0.000 1.008 599 R CA -2.132 53.803 56.100 -0.275 0.000 0.896 599 R CB 1.508 31.705 30.300 -0.171 0.000 1.187 599 R HN 0.129 nan 8.270 nan 0.000 0.440 600 P HA -0.030 nan 4.420 nan 0.000 0.267 600 P C -0.390 176.697 177.300 -0.355 0.000 1.201 600 P CA 0.068 62.868 63.100 -0.500 0.000 0.775 600 P CB 0.610 31.847 31.700 -0.772 0.000 0.854 601 L N 1.390 122.417 121.223 -0.327 0.000 2.399 601 L HA 0.566 4.906 4.340 0.000 0.000 0.266 601 L C 0.590 177.394 176.870 -0.110 0.000 1.114 601 L CA -0.551 54.141 54.840 -0.247 0.000 0.804 601 L CB 0.920 42.797 42.059 -0.303 0.000 1.146 601 L HN 0.222 nan 8.230 nan 0.000 0.451 602 V N -1.566 118.315 119.914 -0.054 0.000 3.182 602 V HA 0.818 4.938 4.120 0.000 0.000 0.308 602 V C -0.589 175.517 176.094 0.019 0.000 1.240 602 V CA -0.555 61.751 62.300 0.009 0.000 1.063 602 V CB 2.063 33.911 31.823 0.043 0.000 1.076 602 V HN 0.733 nan 8.190 nan 0.000 0.446 603 S N 0.459 116.179 115.700 0.034 0.000 2.550 603 S HA 0.990 5.460 4.470 0.000 0.000 0.270 603 S C -1.104 173.514 174.600 0.030 0.000 1.145 603 S CA -0.343 57.835 58.200 -0.036 0.000 0.852 603 S CB 1.756 64.892 63.200 -0.107 0.000 1.119 603 S HN 1.706 nan 8.310 nan 0.000 0.465 604 F N -0.725 119.085 119.950 -0.233 0.000 2.877 604 F HA 0.844 5.371 4.527 0.000 0.000 0.319 604 F C -1.516 174.077 175.800 -0.344 0.000 1.174 604 F CA -1.390 56.432 58.000 -0.296 0.000 0.903 604 F CB 1.148 39.923 39.000 -0.374 0.000 1.357 604 F HN 0.644 nan 8.300 nan 0.000 0.472 605 R N -0.051 120.351 120.500 -0.164 0.000 2.535 605 R HA 0.415 4.755 4.340 0.000 0.000 0.274 605 R C -1.220 174.970 176.300 -0.184 0.000 1.090 605 R CA -0.819 55.082 56.100 -0.332 0.000 0.930 605 R CB 0.827 31.009 30.300 -0.196 0.000 1.223 605 R HN 0.799 nan 8.270 nan 0.000 0.441 606 Y N 0.709 121.077 120.300 0.113 0.000 2.070 606 Y HA -0.066 4.484 4.550 0.000 0.000 0.279 606 Y C 0.736 176.654 175.900 0.030 0.000 1.134 606 Y CA 0.849 58.995 58.100 0.077 0.000 1.113 606 Y CB -0.413 38.088 38.460 0.069 0.000 0.981 606 Y HN 0.556 nan 8.280 nan 0.000 0.487 607 E N 0.590 120.920 120.200 0.216 0.000 2.416 607 E HA -0.036 4.314 4.350 0.000 0.000 0.254 607 E C 0.900 177.530 176.600 0.051 0.000 1.241 607 E CA 0.310 56.774 56.400 0.107 0.000 0.969 607 E CB 0.172 29.928 29.700 0.093 0.000 0.999 607 E HN 0.232 nan 8.360 nan 0.000 0.481 608 D N 0.511 120.930 120.400 0.032 0.000 2.347 608 D HA -0.097 4.543 4.640 0.000 0.000 0.215 608 D C 0.330 176.631 176.300 0.003 0.000 0.976 608 D CA 0.807 54.815 54.000 0.013 0.000 0.884 608 D CB 0.334 41.141 40.800 0.011 0.000 0.915 608 D HN 0.264 nan 8.370 nan 0.000 0.526 609 Q N -0.300 119.504 119.800 0.007 0.000 2.103 609 Q HA 0.233 4.573 4.340 0.000 0.000 0.219 609 Q C 0.701 176.698 176.000 -0.005 0.000 0.784 609 Q CA -0.190 55.611 55.803 -0.003 0.000 1.014 609 Q CB 1.127 29.865 28.738 0.000 0.000 1.183 609 Q HN 0.022 nan 8.270 nan 0.000 0.469 610 G N 2.130 110.936 108.800 0.010 0.000 2.720 610 G HA2 0.229 4.189 3.960 0.000 0.000 0.237 610 G HA3 0.229 4.189 3.960 0.000 0.000 0.237 610 G C -2.251 172.628 174.900 -0.035 0.000 1.239 610 G CA -0.669 44.446 45.100 0.026 0.000 0.847 610 G HN -0.030 nan 8.290 nan 0.000 0.593 611 P HA 0.136 nan 4.420 nan 0.000 0.269 611 P C -0.384 176.805 177.300 -0.185 0.000 1.217 611 P CA -0.452 62.602 63.100 -0.076 0.000 0.783 611 P CB 0.576 32.257 31.700 -0.033 0.000 0.898 612 L N 2.892 123.999 121.223 -0.193 0.000 2.282 612 L HA 0.309 4.649 4.340 0.000 0.000 0.288 612 L C -0.790 175.886 176.870 -0.324 0.000 1.033 612 L CA -0.251 54.421 54.840 -0.281 0.000 0.807 612 L CB 1.136 43.081 42.059 -0.191 0.000 1.209 612 L HN 0.046 nan 8.230 nan 0.000 0.423 613 V N 4.464 124.050 119.914 -0.546 0.000 2.435 613 V HA 0.305 4.425 4.120 0.000 0.000 0.290 613 V C 0.356 176.236 176.094 -0.357 0.000 1.030 613 V CA -0.743 61.269 62.300 -0.481 0.000 0.881 613 V CB 1.551 32.965 31.823 -0.683 0.000 0.983 613 V HN 0.656 nan 8.190 nan 0.000 0.445 614 E N 3.434 123.522 120.200 -0.187 0.000 2.148 614 E HA 0.300 4.650 4.350 0.000 0.000 0.308 614 E C 0.449 177.016 176.600 -0.055 0.000 1.278 614 E CA -0.190 56.144 56.400 -0.110 0.000 1.368 614 E CB 0.561 30.217 29.700 -0.074 0.000 1.229 614 E HN 0.838 nan 8.360 nan 0.000 0.494 615 G N 1.750 110.542 108.800 -0.014 0.000 2.400 615 G HA2 0.286 4.246 3.960 0.000 0.000 0.333 615 G HA3 0.286 4.246 3.960 0.000 0.000 0.333 615 G C -0.401 174.544 174.900 0.075 0.000 1.143 615 G CA -0.611 44.543 45.100 0.090 0.000 0.914 615 G HN 0.292 nan 8.290 nan 0.000 0.480 616 Q N 0.267 120.089 119.800 0.037 0.000 2.212 616 Q HA 0.622 4.962 4.340 0.000 0.000 0.238 616 Q C -0.668 175.347 176.000 0.024 0.000 0.955 616 Q CA -0.904 54.890 55.803 -0.014 0.000 0.906 616 Q CB 1.800 30.505 28.738 -0.056 0.000 1.215 616 Q HN 0.388 nan 8.270 nan 0.000 0.478 617 L N 1.054 122.276 121.223 -0.002 0.000 2.371 617 L HA 0.594 4.934 4.340 0.000 0.000 0.272 617 L C -0.151 176.746 176.870 0.046 0.000 1.124 617 L CA 0.570 55.437 54.840 0.045 0.000 0.816 617 L CB 1.126 43.226 42.059 0.067 0.000 1.129 617 L HN 0.846 nan 8.230 nan 0.000 0.448 618 G N 2.979 111.829 108.800 0.084 0.000 2.644 618 G HA2 0.412 4.372 3.960 0.000 0.000 0.307 618 G HA3 0.412 4.372 3.960 0.000 0.000 0.307 618 G C -0.998 173.963 174.900 0.103 0.000 1.250 618 G CA -0.731 44.420 45.100 0.084 0.000 0.996 618 G HN 0.679 nan 8.290 nan 0.000 0.489 619 E N 0.758 121.020 120.200 0.103 0.000 2.467 619 E HA -0.076 4.274 4.350 0.000 0.000 0.264 619 E C 0.453 177.095 176.600 0.069 0.000 1.020 619 E CA 0.328 56.793 56.400 0.109 0.000 0.945 619 E CB 0.338 30.098 29.700 0.099 0.000 0.942 619 E HN 0.614 nan 8.360 nan 0.000 0.449 620 N N 3.137 121.868 118.700 0.052 0.000 2.671 620 N HA -0.252 4.489 4.740 0.000 0.000 0.261 620 N C -0.966 174.503 175.510 -0.069 0.000 1.053 620 N CA 0.448 53.487 53.050 -0.017 0.000 0.732 620 N CB -0.972 37.508 38.487 -0.013 0.000 0.887 620 N HN 0.642 nan 8.380 nan 0.000 0.546 621 N N -0.326 118.294 118.700 -0.133 0.000 2.696 621 N HA -0.241 4.499 4.740 0.000 0.000 0.249 621 N C -0.282 175.252 175.510 0.041 0.000 1.090 621 N CA 1.595 54.450 53.050 -0.325 0.000 0.716 621 N CB -0.727 37.173 38.487 -0.978 0.000 1.020 621 N HN 0.800 nan 8.380 nan 0.000 0.548 622 E N 0.352 120.619 120.200 0.110 0.000 2.266 622 E HA 0.323 4.673 4.350 0.000 0.000 0.277 622 E C -0.349 176.323 176.600 0.119 0.000 1.018 622 E CA -0.563 55.915 56.400 0.131 0.000 0.840 622 E CB 0.613 30.366 29.700 0.088 0.000 1.082 622 E HN 0.247 nan 8.360 nan 0.000 0.395 623 L N 5.477 126.731 121.223 0.051 0.000 2.417 623 L HA 0.396 4.736 4.340 0.000 0.000 0.258 623 L C 0.049 176.973 176.870 0.090 0.000 1.088 623 L CA -0.407 54.414 54.840 -0.030 0.000 0.975 623 L CB 0.378 42.162 42.059 -0.458 0.000 1.341 623 L HN 0.370 nan 8.230 nan 0.000 0.431 624 R N 2.132 122.689 120.500 0.095 0.000 2.309 624 R HA 0.125 4.465 4.340 0.000 0.000 0.331 624 R C 0.714 177.080 176.300 0.112 0.000 1.116 624 R CA -0.590 55.569 56.100 0.099 0.000 0.970 624 R CB 0.745 31.091 30.300 0.076 0.000 1.024 624 R HN 0.473 nan 8.270 nan 0.000 0.472 625 L N 1.388 122.692 121.223 0.135 0.000 1.956 625 L HA -0.147 4.193 4.340 0.000 0.000 0.216 625 L C 1.012 177.925 176.870 0.071 0.000 1.073 625 L CA 1.707 56.617 54.840 0.116 0.000 0.762 625 L CB -1.607 40.519 42.059 0.111 0.000 0.889 625 L HN 0.499 nan 8.230 nan 0.000 0.433 626 T N 2.884 117.478 114.554 0.065 0.000 2.704 626 T HA -0.041 4.309 4.350 0.000 0.000 0.271 626 T C 1.015 175.748 174.700 0.054 0.000 1.000 626 T CA 0.242 62.374 62.100 0.054 0.000 1.216 626 T CB -0.378 68.521 68.868 0.053 0.000 0.961 626 T HN 0.197 nan 8.240 nan 0.000 0.515 627 R N 3.286 123.817 120.500 0.052 0.000 4.138 627 R HA 0.086 4.426 4.340 0.000 0.000 0.206 627 R C 0.551 176.916 176.300 0.109 0.000 1.667 627 R CA -0.237 55.899 56.100 0.059 0.000 1.481 627 R CB -0.023 30.297 30.300 0.033 0.000 1.388 627 R HN 0.657 nan 8.270 nan 0.000 0.776 628 D N -0.451 120.004 120.400 0.092 0.000 2.462 628 D HA 0.021 4.661 4.640 0.000 0.000 0.221 628 D C -0.037 176.321 176.300 0.097 0.000 1.173 628 D CA -0.331 53.723 54.000 0.090 0.000 0.831 628 D CB 0.583 41.420 40.800 0.062 0.000 1.001 628 D HN 0.128 nan 8.370 nan 0.000 0.499 629 A N 1.702 124.595 122.820 0.122 0.000 2.650 629 A HA 0.555 4.875 4.320 0.000 0.000 0.320 629 A C 0.406 178.098 177.584 0.179 0.000 1.466 629 A CA -0.696 51.414 52.037 0.121 0.000 1.099 629 A CB -0.594 18.461 19.000 0.092 0.000 1.136 629 A HN 0.492 nan 8.150 nan 0.000 0.532 630 I N -0.581 120.059 120.570 0.116 0.000 3.002 630 I HA 0.949 5.119 4.170 0.000 0.000 0.310 630 I C -0.668 175.477 176.117 0.046 0.000 1.087 630 I CA -1.041 60.295 61.300 0.059 0.000 1.017 630 I CB 2.505 40.474 38.000 -0.053 0.000 1.226 630 I HN 0.648 nan 8.210 nan 0.000 0.443 631 E N 2.062 122.268 120.200 0.010 0.000 2.422 631 E HA 0.494 4.844 4.350 0.000 0.000 0.289 631 E C -3.137 173.447 176.600 -0.027 0.000 0.985 631 E CA -1.867 54.556 56.400 0.038 0.000 0.812 631 E CB 1.831 31.612 29.700 0.135 0.000 1.226 631 E HN 0.287 nan 8.360 nan 0.000 0.419 632 P HA -0.022 nan 4.420 nan 0.000 0.267 632 P C -0.191 177.045 177.300 -0.106 0.000 1.200 632 P CA -0.282 62.768 63.100 -0.083 0.000 0.772 632 P CB 0.383 32.061 31.700 -0.037 0.000 0.855 633 c N 2.599 121.052 118.600 -0.245 0.000 2.563 633 c HA 0.158 4.728 4.570 0.000 0.000 0.411 633 c C 0.913 174.979 174.090 -0.039 0.000 1.386 633 c CA 0.519 56.622 56.329 -0.376 0.000 1.703 633 c CB -1.292 40.992 42.510 -0.377 0.000 2.596 633 c HN 0.519 nan 8.230 nan 0.000 0.605 634 T N 2.754 117.431 114.554 0.205 0.000 2.863 634 T HA 0.459 4.809 4.350 0.000 0.000 0.285 634 T C -0.188 174.674 174.700 0.271 0.000 1.009 634 T CA -0.494 61.764 62.100 0.263 0.000 0.989 634 T CB 1.394 70.483 68.868 0.367 0.000 1.004 634 T HN 0.438 nan 8.240 nan 0.000 0.455 635 V N 1.831 121.847 119.914 0.171 0.000 2.732 635 V HA 0.518 4.638 4.120 0.000 0.000 0.297 635 V C 1.306 177.484 176.094 0.140 0.000 1.060 635 V CA 0.158 62.541 62.300 0.138 0.000 1.038 635 V CB 0.809 32.683 31.823 0.086 0.000 1.003 635 V HN 1.260 nan 8.190 nan 0.000 0.481 636 G N 2.450 111.322 108.800 0.121 0.000 2.372 636 G HA2 -0.271 3.689 3.960 0.000 0.000 0.297 636 G HA3 -0.271 3.689 3.960 0.000 0.000 0.297 636 G C 0.200 175.155 174.900 0.091 0.000 1.005 636 G CA 0.443 45.598 45.100 0.090 0.000 1.173 636 G HN 1.068 nan 8.290 nan 0.000 0.511 637 H N 1.268 120.333 119.070 -0.007 0.000 2.882 637 H HA 0.350 4.906 4.556 0.000 0.000 0.258 637 H C 0.831 176.061 175.328 -0.164 0.000 1.579 637 H CA -0.416 55.569 56.048 -0.105 0.000 1.340 637 H CB 0.222 29.843 29.762 -0.236 0.000 1.645 637 H HN 0.461 nan 8.280 nan 0.000 0.541 638 R N 3.082 123.409 120.500 -0.289 0.000 2.500 638 R HA 0.527 4.867 4.340 0.000 0.000 0.275 638 R C -0.280 175.771 176.300 -0.415 0.000 1.051 638 R CA -0.506 55.434 56.100 -0.266 0.000 1.088 638 R CB 1.301 31.599 30.300 -0.003 0.000 1.063 638 R HN 0.571 nan 8.270 nan 0.000 0.511 639 R N 1.517 121.763 120.500 -0.424 0.000 2.764 639 R HA 0.188 4.528 4.340 0.000 0.000 0.250 639 R C -1.814 174.207 176.300 -0.465 0.000 1.122 639 R CA -0.569 55.286 56.100 -0.407 0.000 1.022 639 R CB 1.074 31.139 30.300 -0.392 0.000 1.266 639 R HN 0.463 nan 8.270 nan 0.000 0.454 640 Y N 2.497 122.522 120.300 -0.458 0.000 2.446 640 Y HA 0.669 5.219 4.550 0.000 0.000 0.338 640 Y C -0.324 175.220 175.900 -0.594 0.000 1.055 640 Y CA -0.735 57.222 58.100 -0.238 0.000 1.101 640 Y CB 1.325 39.690 38.460 -0.157 0.000 1.221 640 Y HN 0.345 nan 8.280 nan 0.000 0.460 641 F N -0.542 119.692 119.950 0.474 0.000 2.596 641 F HA 0.335 4.862 4.527 0.000 0.000 0.311 641 F C -0.249 175.862 175.800 0.518 0.000 1.116 641 F CA -1.417 56.838 58.000 0.424 0.000 0.957 641 F CB 1.879 41.026 39.000 0.245 0.000 1.250 641 F HN 0.437 nan 8.300 nan 0.000 0.444 642 T N -0.287 114.563 114.554 0.492 0.000 2.871 642 T HA 0.199 4.549 4.350 0.000 0.000 0.296 642 T C -0.834 173.979 174.700 0.189 0.000 0.998 642 T CA 0.309 62.390 62.100 -0.032 0.000 1.162 642 T CB 0.000 68.832 68.868 -0.061 0.000 0.947 642 T HN 0.446 nan 8.240 nan 0.000 0.536 643 F N 3.535 123.409 119.950 -0.128 0.000 3.094 643 F HA 0.522 5.049 4.527 0.000 0.000 0.385 643 F C 0.884 176.693 175.800 0.015 0.000 1.231 643 F CA 0.330 58.370 58.000 0.067 0.000 1.207 643 F CB 0.551 39.677 39.000 0.210 0.000 1.703 643 F HN 1.274 nan 8.300 nan 0.000 0.610 644 G N 2.577 111.246 108.800 -0.218 0.000 2.550 644 G HA2 -0.314 3.646 3.960 0.000 0.000 0.277 644 G HA3 -0.314 3.646 3.960 0.000 0.000 0.277 644 G C 1.241 176.079 174.900 -0.104 0.000 1.190 644 G CA 0.122 45.120 45.100 -0.169 0.000 0.971 644 G HN 1.268 nan 8.290 nan 0.000 0.559 645 G N 0.325 109.113 108.800 -0.021 0.000 2.470 645 G HA2 0.428 4.388 3.960 0.000 0.000 0.220 645 G HA3 0.428 4.388 3.960 0.000 0.000 0.220 645 G C 1.063 175.979 174.900 0.027 0.000 1.121 645 G CA 2.098 47.200 45.100 0.004 0.000 0.766 645 G HN 1.808 nan 8.290 nan 0.000 0.553 646 G N -1.747 107.091 108.800 0.062 0.000 3.259 646 G HA2 0.591 4.551 3.960 0.000 0.000 0.178 646 G HA3 0.591 4.551 3.960 0.000 0.000 0.178 646 G C -1.406 173.520 174.900 0.044 0.000 1.129 646 G CA -0.921 44.261 45.100 0.138 0.000 0.816 646 G HN 0.061 nan 8.290 nan 0.000 0.634 647 Y N -2.356 118.111 120.300 0.279 0.000 2.633 647 Y HA 0.675 5.225 4.550 0.000 0.000 0.339 647 Y C -0.245 175.855 175.900 0.334 0.000 1.045 647 Y CA -0.823 57.479 58.100 0.335 0.000 1.098 647 Y CB 2.441 41.070 38.460 0.282 0.000 1.296 647 Y HN 0.377 nan 8.280 nan 0.000 0.494 648 V N 1.399 121.610 119.914 0.494 0.000 2.680 648 V HA 0.500 4.620 4.120 0.000 0.000 0.309 648 V C -1.944 174.370 176.094 0.367 0.000 1.052 648 V CA -0.701 61.765 62.300 0.277 0.000 0.908 648 V CB 1.860 33.641 31.823 -0.070 0.000 1.001 648 V HN 0.649 nan 8.190 nan 0.000 0.431 649 Y N 5.465 125.721 120.300 -0.074 0.000 2.485 649 Y HA 0.774 5.324 4.550 0.000 0.000 0.345 649 Y C -1.452 174.279 175.900 -0.283 0.000 0.998 649 Y CA -1.577 56.352 58.100 -0.285 0.000 1.059 649 Y CB 2.029 40.046 38.460 -0.738 0.000 1.234 649 Y HN 0.563 nan 8.280 nan 0.000 0.461 650 F N 3.466 122.794 119.950 -1.035 0.000 2.562 650 F HA 0.376 4.903 4.527 0.000 0.000 0.319 650 F C -0.565 174.709 175.800 -0.878 0.000 1.154 650 F CA -0.947 56.637 58.000 -0.692 0.000 0.931 650 F CB 1.889 40.758 39.000 -0.219 0.000 1.198 650 F HN 0.410 nan 8.300 nan 0.000 0.444 651 E N 3.399 123.300 120.200 -0.498 0.000 2.156 651 E HA 0.250 4.600 4.350 0.000 0.000 0.279 651 E C -0.501 176.078 176.600 -0.034 0.000 0.965 651 E CA -0.447 55.787 56.400 -0.276 0.000 0.789 651 E CB 0.952 30.554 29.700 -0.164 0.000 1.098 651 E HN 0.458 nan 8.360 nan 0.000 0.397 652 E N 2.439 122.668 120.200 0.048 0.000 2.297 652 E HA -0.271 4.079 4.350 0.000 0.000 0.228 652 E C -0.618 176.168 176.600 0.310 0.000 1.213 652 E CA 0.814 57.326 56.400 0.186 0.000 0.712 652 E CB -1.841 27.951 29.700 0.153 0.000 1.202 652 E HN 0.803 nan 8.360 nan 0.000 0.376 653 Y N -4.358 116.048 120.300 0.178 0.000 4.753 653 Y HA -0.347 4.203 4.550 0.000 0.000 0.232 653 Y C 0.777 176.832 175.900 0.259 0.000 1.029 653 Y CA 1.018 59.207 58.100 0.148 0.000 1.996 653 Y CB -1.674 36.771 38.460 -0.025 0.000 1.602 653 Y HN 0.489 nan 8.280 nan 0.000 0.621 654 A N -0.554 122.458 122.820 0.320 0.000 2.331 654 A HA 0.597 4.917 4.320 0.000 0.000 0.320 654 A C -0.451 177.110 177.584 -0.039 0.000 1.138 654 A CA -0.716 51.448 52.037 0.210 0.000 0.790 654 A CB 0.455 19.515 19.000 0.100 0.000 1.206 654 A HN 0.260 nan 8.150 nan 0.000 0.470 655 Y N 2.312 122.351 120.300 -0.435 0.000 2.757 655 Y HA 0.185 4.735 4.550 0.000 0.000 0.344 655 Y C 1.305 176.795 175.900 -0.683 0.000 1.263 655 Y CA 1.674 59.004 58.100 -1.285 0.000 1.493 655 Y CB 0.865 38.801 38.460 -0.874 0.000 1.342 655 Y HN 0.682 nan 8.280 nan 0.000 0.627 656 S N 2.234 116.889 115.700 -1.741 0.000 3.597 656 S HA 0.269 4.739 4.470 0.000 0.000 0.206 656 S C -0.783 173.110 174.600 -1.179 0.000 0.948 656 S CA 0.491 58.060 58.200 -1.051 0.000 0.863 656 S CB -0.108 62.734 63.200 -0.596 0.000 1.015 656 S HN 0.960 nan 8.310 nan 0.000 0.616 657 H N -0.344 118.082 119.070 -1.073 0.000 2.876 657 H HA 0.443 4.999 4.556 0.000 0.000 0.284 657 H C -1.774 173.513 175.328 -0.067 0.000 1.445 657 H CA -0.868 54.919 56.048 -0.436 0.000 1.141 657 H CB 0.235 29.899 29.762 -0.163 0.000 1.816 657 H HN 0.339 nan 8.280 nan 0.000 0.511 658 Q N 0.616 120.600 119.800 0.306 0.000 2.257 658 Q HA 0.744 5.084 4.340 0.000 0.000 0.262 658 Q C -0.614 175.594 176.000 0.346 0.000 0.997 658 Q CA -0.926 55.058 55.803 0.301 0.000 0.873 658 Q CB 2.952 31.870 28.738 0.300 0.000 1.312 658 Q HN 0.381 nan 8.270 nan 0.000 0.450 659 L N -0.411 121.013 121.223 0.334 0.000 2.502 659 L HA 0.542 4.882 4.340 0.000 0.000 0.253 659 L C -0.699 176.336 176.870 0.274 0.000 1.070 659 L CA -0.820 54.187 54.840 0.278 0.000 0.871 659 L CB 2.392 44.615 42.059 0.274 0.000 1.487 659 L HN 0.530 nan 8.230 nan 0.000 0.408 660 S N -0.843 114.982 115.700 0.209 0.000 2.651 660 S HA 0.396 4.866 4.470 0.000 0.000 0.291 660 S C 0.927 175.657 174.600 0.217 0.000 1.141 660 S CA -0.586 57.733 58.200 0.198 0.000 1.027 660 S CB 1.444 64.723 63.200 0.132 0.000 1.043 660 S HN 0.599 nan 8.310 nan 0.000 0.530 661 R N 1.817 122.458 120.500 0.236 0.000 2.159 661 R HA -0.125 4.215 4.340 0.000 0.000 0.237 661 R C 2.301 178.666 176.300 0.109 0.000 1.131 661 R CA 1.337 57.575 56.100 0.230 0.000 0.982 661 R CB -0.923 29.514 30.300 0.228 0.000 0.868 661 R HN 0.696 nan 8.270 nan 0.000 0.453 662 A N 2.319 125.193 122.820 0.090 0.000 1.903 662 A HA -0.265 4.055 4.320 0.000 0.000 0.219 662 A C 1.657 179.258 177.584 0.028 0.000 1.191 662 A CA 2.104 54.172 52.037 0.052 0.000 0.638 662 A CB -0.501 18.528 19.000 0.049 0.000 0.823 662 A HN 0.249 nan 8.150 nan 0.000 0.451 663 D N 0.059 120.479 120.400 0.033 0.000 2.106 663 D HA -0.115 4.525 4.640 0.000 0.000 0.191 663 D C 0.737 177.015 176.300 -0.037 0.000 0.997 663 D CA 0.808 54.810 54.000 0.004 0.000 0.834 663 D CB -0.475 40.339 40.800 0.023 0.000 0.956 663 D HN 0.290 nan 8.370 nan 0.000 0.448 664 I N 2.996 123.529 120.570 -0.062 0.000 2.494 664 I HA -0.040 4.130 4.170 0.000 0.000 0.289 664 I C 0.703 176.764 176.117 -0.093 0.000 1.106 664 I CA 0.091 61.309 61.300 -0.137 0.000 1.369 664 I CB -0.548 37.303 38.000 -0.249 0.000 1.410 664 I HN -0.079 nan 8.210 nan 0.000 0.523 665 T N 3.012 117.511 114.554 -0.092 0.000 2.738 665 T HA 0.076 4.426 4.350 0.000 0.000 0.277 665 T C 0.565 175.225 174.700 -0.067 0.000 0.981 665 T CA -0.499 61.562 62.100 -0.065 0.000 1.211 665 T CB -0.552 68.277 68.868 -0.065 0.000 0.932 665 T HN 0.579 nan 8.240 nan 0.000 0.522 666 T N 3.784 118.316 114.554 -0.037 0.000 2.897 666 T HA 0.479 4.829 4.350 0.000 0.000 0.294 666 T C 0.248 174.930 174.700 -0.028 0.000 1.004 666 T CA -0.697 61.388 62.100 -0.026 0.000 1.106 666 T CB 0.958 69.833 68.868 0.013 0.000 0.949 666 T HN 0.622 nan 8.240 nan 0.000 0.520 667 V N 2.125 122.013 119.914 -0.043 0.000 2.680 667 V HA 0.570 4.690 4.120 0.000 0.000 0.309 667 V C 0.209 176.263 176.094 -0.067 0.000 1.052 667 V CA -0.921 61.348 62.300 -0.051 0.000 0.908 667 V CB 2.042 33.823 31.823 -0.070 0.000 1.001 667 V HN 0.908 nan 8.190 nan 0.000 0.431 668 S N 1.623 117.287 115.700 -0.060 0.000 2.578 668 S HA 0.407 4.877 4.470 0.000 0.000 0.283 668 S C 1.006 175.464 174.600 -0.236 0.000 1.195 668 S CA 0.220 58.355 58.200 -0.108 0.000 1.050 668 S CB 1.399 64.632 63.200 0.055 0.000 1.012 668 S HN 1.049 nan 8.310 nan 0.000 0.511 669 T N 1.411 115.635 114.554 -0.551 0.000 3.054 669 T HA 0.358 4.708 4.350 0.000 0.000 0.255 669 T C -0.010 174.439 174.700 -0.418 0.000 1.035 669 T CA -0.193 61.614 62.100 -0.489 0.000 0.941 669 T CB -0.398 68.144 68.868 -0.543 0.000 1.026 669 T HN 0.379 nan 8.240 nan 0.000 0.533 670 F N 1.347 121.298 119.950 0.002 0.000 2.385 670 F HA 0.605 5.132 4.527 0.000 0.000 0.336 670 F C 0.210 176.014 175.800 0.008 0.000 1.100 670 F CA -2.338 55.667 58.000 0.009 0.000 1.116 670 F CB 0.367 39.378 39.000 0.017 0.000 1.166 670 F HN -0.114 nan 8.300 nan 0.000 0.511 671 I N 3.236 123.923 120.570 0.194 0.000 2.308 671 I HA 0.108 4.278 4.170 0.000 0.000 0.293 671 I C 0.122 176.308 176.117 0.115 0.000 1.078 671 I CA -0.241 61.128 61.300 0.115 0.000 1.292 671 I CB -0.372 37.675 38.000 0.079 0.000 1.423 671 I HN 0.410 nan 8.210 nan 0.000 0.493 672 D N 5.468 125.925 120.400 0.095 0.000 2.400 672 D HA 0.204 4.844 4.640 0.000 0.000 0.238 672 D C -0.432 175.898 176.300 0.049 0.000 1.157 672 D CA 0.261 54.302 54.000 0.068 0.000 0.889 672 D CB 1.137 41.970 40.800 0.055 0.000 1.199 672 D HN 0.202 nan 8.370 nan 0.000 0.436 673 L N 2.948 124.191 121.223 0.034 0.000 2.573 673 L HA 0.203 4.543 4.340 0.000 0.000 0.260 673 L C -1.140 175.737 176.870 0.012 0.000 0.997 673 L CA -0.573 54.283 54.840 0.026 0.000 0.890 673 L CB 0.924 43.002 42.059 0.032 0.000 1.179 673 L HN 0.130 nan 8.230 nan 0.000 0.439 674 N N 4.472 123.179 118.700 0.010 0.000 2.408 674 N HA 0.467 5.207 4.740 0.000 0.000 0.257 674 N C -0.719 174.792 175.510 0.001 0.000 1.064 674 N CA -0.174 52.878 53.050 0.004 0.000 0.952 674 N CB 0.628 39.118 38.487 0.005 0.000 1.093 674 N HN 0.593 nan 8.380 nan 0.000 0.490 675 I N -0.072 120.496 120.570 -0.003 0.000 2.740 675 I HA 0.665 4.835 4.170 0.000 0.000 0.303 675 I C -0.481 175.632 176.117 -0.007 0.000 1.044 675 I CA -0.520 60.776 61.300 -0.006 0.000 1.064 675 I CB 2.153 40.147 38.000 -0.010 0.000 1.249 675 I HN 0.173 nan 8.210 nan 0.000 0.433 676 T N 4.954 119.505 114.554 -0.006 0.000 2.921 676 T HA 0.535 4.885 4.350 0.000 0.000 0.297 676 T C -0.312 174.385 174.700 -0.005 0.000 1.013 676 T CA -0.532 61.565 62.100 -0.005 0.000 0.990 676 T CB 1.283 70.149 68.868 -0.003 0.000 1.023 676 T HN 0.586 nan 8.240 nan 0.000 0.447 677 M N 2.612 122.209 119.600 -0.005 0.000 2.233 677 M HA 0.305 4.785 4.480 0.000 0.000 0.350 677 M C 0.039 176.341 176.300 0.002 0.000 1.176 677 M CA -0.821 54.477 55.300 -0.003 0.000 1.150 677 M CB 0.541 33.138 32.600 -0.004 0.000 1.530 677 M HN 0.439 nan 8.290 nan 0.000 0.459 678 L N 4.888 126.115 121.223 0.006 0.000 2.534 678 L HA 0.008 4.348 4.340 0.000 0.000 0.271 678 L C 0.666 177.548 176.870 0.019 0.000 1.178 678 L CA 0.249 55.097 54.840 0.012 0.000 0.907 678 L CB 0.053 42.121 42.059 0.015 0.000 1.164 678 L HN 0.608 nan 8.230 nan 0.000 0.482 679 E N 3.678 123.891 120.200 0.021 0.000 2.410 679 E HA 0.065 4.415 4.350 0.000 0.000 0.255 679 E C -0.579 176.044 176.600 0.038 0.000 1.194 679 E CA -0.373 56.041 56.400 0.022 0.000 0.955 679 E CB 0.279 29.989 29.700 0.017 0.000 0.988 679 E HN 0.561 nan 8.360 nan 0.000 0.461 680 D N -0.125 120.292 120.400 0.029 0.000 2.380 680 D HA 0.236 4.876 4.640 0.000 0.000 0.254 680 D C 0.102 176.442 176.300 0.066 0.000 1.288 680 D CA 0.306 54.331 54.000 0.042 0.000 1.008 680 D CB 0.280 41.089 40.800 0.014 0.000 1.099 680 D HN 0.468 nan 8.370 nan 0.000 0.537 681 H N -0.574 118.437 119.070 -0.098 0.000 3.114 681 H HA 0.077 4.633 4.556 0.000 0.000 0.325 681 H C -1.389 173.740 175.328 -0.331 0.000 1.206 681 H CA -0.493 55.413 56.048 -0.236 0.000 1.316 681 H CB 1.243 30.808 29.762 -0.327 0.000 1.981 681 H HN 0.505 nan 8.280 nan 0.000 0.527 682 E N 4.197 124.116 120.200 -0.469 0.000 2.156 682 E HA 0.365 4.715 4.350 0.000 0.000 0.279 682 E C -1.215 175.227 176.600 -0.263 0.000 0.965 682 E CA -0.767 55.483 56.400 -0.251 0.000 0.789 682 E CB 1.213 30.798 29.700 -0.191 0.000 1.098 682 E HN 0.176 nan 8.360 nan 0.000 0.397 683 F N 3.255 123.285 119.950 0.133 0.000 2.303 683 F HA 0.177 4.704 4.527 0.000 0.000 0.368 683 F C 0.243 176.078 175.800 0.059 0.000 1.105 683 F CA -1.081 56.986 58.000 0.112 0.000 1.153 683 F CB 1.213 40.265 39.000 0.087 0.000 1.362 683 F HN 0.371 nan 8.300 nan 0.000 0.511 684 V N 1.564 121.575 119.914 0.163 0.000 2.732 684 V HA 0.480 4.600 4.120 0.000 0.000 0.297 684 V C -2.172 173.985 176.094 0.105 0.000 1.060 684 V CA -2.315 60.045 62.300 0.100 0.000 1.038 684 V CB 0.214 32.066 31.823 0.048 0.000 1.003 684 V HN 0.417 nan 8.190 nan 0.000 0.481 685 P HA 0.310 nan 4.420 nan 0.000 0.260 685 P C -0.899 176.433 177.300 0.053 0.000 1.185 685 P CA 0.308 63.446 63.100 0.063 0.000 0.763 685 P CB 0.197 31.927 31.700 0.051 0.000 0.776 686 L N 3.667 124.921 121.223 0.051 0.000 2.439 686 L HA 0.425 4.765 4.340 0.000 0.000 0.270 686 L C -0.717 176.164 176.870 0.019 0.000 0.972 686 L CA -0.205 54.656 54.840 0.034 0.000 0.836 686 L CB 1.814 43.899 42.059 0.043 0.000 1.255 686 L HN 0.306 nan 8.230 nan 0.000 0.404 687 E N 3.233 123.434 120.200 0.002 0.000 2.293 687 E HA 0.364 4.714 4.350 0.000 0.000 0.270 687 E C 0.186 176.741 176.600 -0.075 0.000 0.879 687 E CA -0.832 55.562 56.400 -0.011 0.000 0.756 687 E CB 2.373 32.085 29.700 0.021 0.000 1.208 687 E HN 0.397 nan 8.360 nan 0.000 0.428 688 V N 1.374 121.210 119.914 -0.131 0.000 2.307 688 V HA -0.129 3.991 4.120 0.000 0.000 0.245 688 V C 0.044 175.770 176.094 -0.613 0.000 1.045 688 V CA 1.278 63.352 62.300 -0.376 0.000 1.024 688 V CB -0.415 31.188 31.823 -0.368 0.000 0.651 688 V HN 0.576 nan 8.190 nan 0.000 0.449 689 Y N -0.186 120.131 120.300 0.027 0.000 2.332 689 Y HA 0.437 4.987 4.550 0.000 0.000 0.325 689 Y C 0.521 176.438 175.900 0.029 0.000 1.054 689 Y CA -1.011 57.106 58.100 0.028 0.000 1.119 689 Y CB 1.312 39.784 38.460 0.021 0.000 1.168 689 Y HN 0.040 nan 8.280 nan 0.000 0.439 690 T N -1.243 113.421 114.554 0.185 0.000 2.903 690 T HA 0.090 4.440 4.350 0.000 0.000 0.314 690 T C 1.290 176.034 174.700 0.075 0.000 1.078 690 T CA -0.590 61.596 62.100 0.143 0.000 1.114 690 T CB 0.967 69.978 68.868 0.239 0.000 0.987 690 T HN 0.905 nan 8.240 nan 0.000 0.548 691 R N 0.926 121.374 120.500 -0.085 0.000 2.200 691 R HA -0.175 4.165 4.340 0.000 0.000 0.234 691 R C 1.403 177.578 176.300 -0.208 0.000 1.127 691 R CA 1.885 57.875 56.100 -0.183 0.000 0.989 691 R CB -0.870 29.263 30.300 -0.278 0.000 0.869 691 R HN 0.884 nan 8.270 nan 0.000 0.459 692 H N 0.656 119.751 119.070 0.041 0.000 2.436 692 H HA 0.072 4.628 4.556 0.000 0.000 0.294 692 H C 1.323 176.672 175.328 0.035 0.000 1.048 692 H CA 1.305 57.373 56.048 0.033 0.000 1.353 692 H CB 0.081 29.861 29.762 0.031 0.000 1.414 692 H HN 0.449 nan 8.280 nan 0.000 0.536 693 E N 0.063 120.360 120.200 0.160 0.000 2.338 693 E HA -0.094 4.256 4.350 0.000 0.000 0.197 693 E C 1.001 177.621 176.600 0.033 0.000 1.007 693 E CA 0.576 57.044 56.400 0.114 0.000 0.849 693 E CB 0.138 29.949 29.700 0.185 0.000 0.774 693 E HN 0.407 nan 8.360 nan 0.000 0.506 694 I N 0.974 121.554 120.570 0.015 0.000 2.628 694 I HA -0.103 4.067 4.170 0.000 0.000 0.255 694 I C 2.527 178.635 176.117 -0.016 0.000 1.119 694 I CA 1.171 62.454 61.300 -0.028 0.000 1.448 694 I CB -0.337 37.642 38.000 -0.035 0.000 1.133 694 I HN -0.094 nan 8.210 nan 0.000 0.438 695 K N -0.217 120.183 120.400 0.000 0.000 2.519 695 K HA -0.185 4.135 4.320 0.000 0.000 0.196 695 K C 1.608 178.223 176.600 0.025 0.000 1.041 695 K CA 1.994 58.289 56.287 0.014 0.000 0.954 695 K CB -1.066 31.452 32.500 0.029 0.000 0.774 695 K HN 0.519 nan 8.250 nan 0.000 0.480 696 D N -1.036 119.379 120.400 0.025 0.000 2.422 696 D HA -0.069 4.571 4.640 0.000 0.000 0.218 696 D C 2.074 178.374 176.300 -0.000 0.000 1.047 696 D CA 1.285 55.298 54.000 0.022 0.000 0.885 696 D CB 0.222 41.043 40.800 0.035 0.000 1.035 696 D HN 0.365 nan 8.370 nan 0.000 0.502 697 S N -0.378 115.309 115.700 -0.020 0.000 2.400 697 S HA -0.030 4.440 4.470 0.000 0.000 0.232 697 S C 1.620 176.201 174.600 -0.032 0.000 1.025 697 S CA 0.719 58.892 58.200 -0.045 0.000 0.993 697 S CB -1.157 61.992 63.200 -0.086 0.000 0.808 697 S HN 0.260 nan 8.310 nan 0.000 0.478 698 G N 2.105 110.893 108.800 -0.020 0.000 2.327 698 G HA2 0.367 4.327 3.960 0.000 0.000 0.278 698 G HA3 0.367 4.327 3.960 0.000 0.000 0.278 698 G C 0.556 175.454 174.900 -0.003 0.000 1.145 698 G CA -0.267 44.826 45.100 -0.011 0.000 1.097 698 G HN 0.343 nan 8.290 nan 0.000 0.430 699 L N 3.503 124.721 121.223 -0.008 0.000 2.051 699 L HA 0.027 4.367 4.340 0.000 0.000 0.214 699 L C 1.119 177.993 176.870 0.007 0.000 1.076 699 L CA 1.573 56.411 54.840 -0.004 0.000 0.758 699 L CB -0.313 41.740 42.059 -0.009 0.000 0.890 699 L HN 0.449 nan 8.230 nan 0.000 0.433 700 L N 0.259 121.490 121.223 0.013 0.000 2.322 700 L HA 0.320 4.660 4.340 0.000 0.000 0.281 700 L C -0.821 176.078 176.870 0.048 0.000 1.014 700 L CA -0.602 54.256 54.840 0.030 0.000 0.815 700 L CB 1.513 43.593 42.059 0.035 0.000 1.247 700 L HN -0.028 nan 8.230 nan 0.000 0.421 701 D N 1.681 122.114 120.400 0.055 0.000 2.454 701 D HA 0.030 4.670 4.640 0.000 0.000 0.225 701 D C 0.579 176.939 176.300 0.100 0.000 1.081 701 D CA -0.366 53.676 54.000 0.070 0.000 0.864 701 D CB 0.856 41.681 40.800 0.042 0.000 1.040 701 D HN 0.409 nan 8.370 nan 0.000 0.517 702 Y N 3.103 123.404 120.300 0.002 0.000 2.228 702 Y HA -0.276 4.274 4.550 0.000 0.000 0.285 702 Y C 1.730 177.635 175.900 0.008 0.000 1.178 702 Y CA 1.981 60.084 58.100 0.004 0.000 1.202 702 Y CB -0.155 38.308 38.460 0.005 0.000 0.974 702 Y HN 0.325 nan 8.280 nan 0.000 0.527 703 T N -0.239 114.297 114.554 -0.030 0.000 2.770 703 T HA -0.137 4.213 4.350 0.000 0.000 0.263 703 T C 1.635 176.279 174.700 -0.093 0.000 1.039 703 T CA 1.424 63.464 62.100 -0.100 0.000 1.142 703 T CB -0.204 68.655 68.868 -0.014 0.000 0.868 703 T HN 0.407 nan 8.240 nan 0.000 0.435 704 E N 0.612 120.790 120.200 -0.037 0.000 2.065 704 E HA -0.155 4.195 4.350 0.000 0.000 0.201 704 E C 2.315 178.891 176.600 -0.041 0.000 1.016 704 E CA 1.380 57.766 56.400 -0.023 0.000 0.818 704 E CB -0.422 29.279 29.700 0.002 0.000 0.749 704 E HN 0.235 nan 8.360 nan 0.000 0.453 705 V N 1.249 121.130 119.914 -0.055 0.000 2.214 705 V HA -0.290 3.830 4.120 0.000 0.000 0.244 705 V C 2.371 178.404 176.094 -0.102 0.000 1.045 705 V CA 1.830 64.094 62.300 -0.059 0.000 0.993 705 V CB -0.690 31.108 31.823 -0.042 0.000 0.633 705 V HN 0.243 nan 8.190 nan 0.000 0.449 706 Q N -0.365 119.301 119.800 -0.224 0.000 2.217 706 Q HA -0.250 4.090 4.340 0.000 0.000 0.209 706 Q C 2.303 178.229 176.000 -0.123 0.000 0.988 706 Q CA 1.871 57.537 55.803 -0.229 0.000 0.878 706 Q CB -0.562 27.917 28.738 -0.432 0.000 0.909 706 Q HN 0.595 nan 8.270 nan 0.000 0.424 707 R N 0.366 120.803 120.500 -0.105 0.000 2.075 707 R HA -0.115 4.225 4.340 0.000 0.000 0.230 707 R C 2.355 178.645 176.300 -0.017 0.000 1.140 707 R CA 1.581 57.649 56.100 -0.053 0.000 0.928 707 R CB -0.193 30.081 30.300 -0.042 0.000 0.834 707 R HN 0.105 nan 8.270 nan 0.000 0.429 708 R N 0.336 120.834 120.500 -0.003 0.000 2.091 708 R HA -0.130 4.210 4.340 0.000 0.000 0.238 708 R C 1.892 178.239 176.300 0.078 0.000 1.136 708 R CA 2.168 58.292 56.100 0.040 0.000 0.959 708 R CB -0.291 30.037 30.300 0.047 0.000 0.856 708 R HN 0.453 nan 8.270 nan 0.000 0.437 709 N N -0.080 118.643 118.700 0.039 0.000 2.058 709 N HA -0.184 4.556 4.740 0.000 0.000 0.191 709 N C 1.573 177.125 175.510 0.070 0.000 1.037 709 N CA 1.292 54.368 53.050 0.044 0.000 0.848 709 N CB -0.048 38.429 38.487 -0.018 0.000 1.021 709 N HN 0.363 nan 8.380 nan 0.000 0.422 710 Q N 0.131 119.947 119.800 0.026 0.000 2.515 710 Q HA -0.009 4.331 4.340 0.000 0.000 0.212 710 Q C 1.187 177.216 176.000 0.049 0.000 0.970 710 Q CA 0.349 56.170 55.803 0.030 0.000 0.941 710 Q CB 0.262 28.997 28.738 -0.005 0.000 0.998 710 Q HN 0.276 nan 8.270 nan 0.000 0.518 711 L N -1.357 119.903 121.223 0.063 0.000 2.590 711 L HA 0.075 4.415 4.340 0.000 0.000 0.227 711 L C 1.827 178.749 176.870 0.087 0.000 1.099 711 L CA 0.815 55.682 54.840 0.046 0.000 0.872 711 L CB -0.080 41.989 42.059 0.017 0.000 1.088 711 L HN 0.147 nan 8.230 nan 0.000 0.479 712 H N -0.059 119.055 119.070 0.073 0.000 2.319 712 H HA -0.230 4.327 4.556 0.000 0.000 0.297 712 H C 1.500 176.940 175.328 0.187 0.000 1.097 712 H CA 2.685 58.838 56.048 0.175 0.000 1.285 712 H CB 0.089 29.931 29.762 0.135 0.000 1.368 712 H HN 0.467 nan 8.280 nan 0.000 0.495 713 D N 0.015 120.540 120.400 0.209 0.000 2.117 713 D HA -0.144 4.496 4.640 0.000 0.000 0.197 713 D C 2.273 178.584 176.300 0.018 0.000 0.987 713 D CA 1.461 55.538 54.000 0.127 0.000 0.829 713 D CB -0.137 40.733 40.800 0.117 0.000 0.961 713 D HN 0.359 nan 8.370 nan 0.000 0.460 714 L N 0.240 121.456 121.223 -0.012 0.000 2.083 714 L HA -0.128 4.212 4.340 0.000 0.000 0.209 714 L C 2.458 179.237 176.870 -0.152 0.000 1.083 714 L CA 1.132 55.935 54.840 -0.062 0.000 0.752 714 L CB -0.226 41.801 42.059 -0.053 0.000 0.899 714 L HN 0.011 nan 8.230 nan 0.000 0.433 715 R N -0.707 119.639 120.500 -0.257 0.000 2.073 715 R HA -0.040 4.300 4.340 0.000 0.000 0.229 715 R C 1.029 176.884 176.300 -0.742 0.000 1.120 715 R CA 1.172 56.923 56.100 -0.581 0.000 0.967 715 R CB 0.006 29.790 30.300 -0.860 0.000 0.862 715 R HN 0.233 nan 8.270 nan 0.000 0.436 716 F N -0.485 119.346 119.950 -0.199 0.000 2.791 716 F HA 0.482 5.009 4.527 0.000 0.000 0.308 716 F C 0.023 175.758 175.800 -0.109 0.000 1.138 716 F CA -0.533 57.361 58.000 -0.177 0.000 1.294 716 F CB 1.197 40.028 39.000 -0.282 0.000 0.975 716 F HN -0.073 nan 8.300 nan 0.000 0.512 717 A N -0.417 122.415 122.820 0.019 0.000 2.608 717 A HA 0.533 4.853 4.320 0.000 0.000 0.292 717 A C -2.029 175.554 177.584 -0.002 0.000 1.066 717 A CA -0.705 51.349 52.037 0.028 0.000 0.676 717 A CB 1.374 20.408 19.000 0.057 0.000 1.277 717 A HN -0.051 nan 8.150 nan 0.000 0.413 718 D N 0.905 121.306 120.400 0.003 0.000 2.278 718 D HA 0.544 5.184 4.640 0.000 0.000 0.245 718 D C 0.074 176.376 176.300 0.003 0.000 1.052 718 D CA -0.334 53.663 54.000 -0.005 0.000 0.834 718 D CB 1.118 41.912 40.800 -0.009 0.000 1.194 718 D HN 0.283 nan 8.370 nan 0.000 0.481 719 I N 2.016 122.587 120.570 0.002 0.000 3.927 719 I HA 0.183 4.353 4.170 0.000 0.000 0.332 719 I C 0.218 176.339 176.117 0.006 0.000 1.485 719 I CA -0.043 61.262 61.300 0.008 0.000 1.131 719 I CB -0.047 37.959 38.000 0.011 0.000 1.092 719 I HN 0.232 nan 8.210 nan 0.000 0.410 720 D N 0.552 120.953 120.400 0.002 0.000 2.500 720 D HA 0.100 4.740 4.640 0.000 0.000 0.218 720 D C 0.571 176.873 176.300 0.002 0.000 1.140 720 D CA 0.513 54.514 54.000 0.002 0.000 0.830 720 D CB 1.174 41.973 40.800 -0.002 0.000 1.055 720 D HN 0.081 nan 8.370 nan 0.000 0.512 721 T N 1.152 115.705 114.554 -0.002 0.000 2.845 721 T HA 0.458 4.808 4.350 0.000 0.000 0.288 721 T C 0.245 174.942 174.700 -0.006 0.000 0.980 721 T CA -0.339 61.755 62.100 -0.009 0.000 1.071 721 T CB 2.414 71.271 68.868 -0.018 0.000 0.941 721 T HN -0.293 nan 8.240 nan 0.000 0.487 722 V N 4.382 124.289 119.914 -0.011 0.000 2.715 722 V HA 0.583 4.703 4.120 0.000 0.000 0.310 722 V C -0.523 175.506 176.094 -0.108 0.000 1.054 722 V CA -0.944 61.357 62.300 0.001 0.000 0.928 722 V CB 1.853 33.727 31.823 0.085 0.000 1.007 722 V HN 0.703 nan 8.190 nan 0.000 0.437 723 I N 4.143 124.650 120.570 -0.105 0.000 2.689 723 I HA 0.717 4.887 4.170 0.000 0.000 0.299 723 I C -0.523 175.483 176.117 -0.184 0.000 1.059 723 I CA -0.312 60.840 61.300 -0.246 0.000 1.055 723 I CB 2.156 40.088 38.000 -0.113 0.000 1.243 723 I HN 0.957 nan 8.210 nan 0.000 0.425 724 H N 2.305 121.373 119.070 -0.003 0.000 2.984 724 H HA 0.816 5.372 4.556 0.000 0.000 0.298 724 H C -1.704 173.623 175.328 -0.002 0.000 1.378 724 H CA -0.985 55.061 56.048 -0.003 0.000 1.241 724 H CB 1.524 31.285 29.762 -0.002 0.000 1.894 724 H HN 0.807 nan 8.280 nan 0.000 0.511 725 A N 0.000 122.912 122.820 0.153 0.000 2.254 725 A HA 0.000 4.320 4.320 0.000 0.000 0.244 725 A CA 0.000 52.091 52.037 0.090 0.000 0.836 725 A CB 0.000 19.022 19.000 0.037 0.000 0.831 725 A HN 0.000 nan 8.150 nan 0.000 0.486