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 3prz_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKMX XXXXXXXXXX XXXXXDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXVS LWDCDRKFRV KIRGIDIPVL XXXXXLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXVQLLYY VNLLLIDHRF LLRRGEYVLH MWQISGXXXX DATA SEQUENCE XXXFNADKLT SATNPDKENS MSISILLDNY CHPIALPXXX XXXXXXXXXX DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS XXXXXXSSQV ISQLKQKLEN LQNSQLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE STVGNTGAFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHILGNYX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVLG 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 144 S HA 0.000 nan 4.470 nan 0.000 0.327 144 S C 0.000 174.611 174.600 0.018 0.000 1.055 144 S CA 0.000 58.206 58.200 0.010 0.000 1.107 144 S CB 0.000 63.201 63.200 0.002 0.000 0.593 145 E N 2.365 122.573 120.200 0.013 0.000 2.153 145 E HA -0.120 4.247 4.350 0.027 0.000 0.194 145 E C 1.472 178.088 176.600 0.026 0.000 0.988 145 E CA 0.971 57.382 56.400 0.019 0.000 0.811 145 E CB 0.129 29.837 29.700 0.013 0.000 0.746 145 E HN 0.719 nan 8.360 nan 0.000 0.466 146 E N 0.452 120.659 120.200 0.013 0.000 2.038 146 E HA -0.132 4.235 4.350 0.027 0.000 0.195 146 E C 1.612 178.234 176.600 0.037 0.000 1.000 146 E CA 1.387 57.789 56.400 0.003 0.000 0.803 146 E CB -0.213 29.465 29.700 -0.036 0.000 0.750 146 E HN 0.156 nan 8.360 nan 0.000 0.448 147 S N -0.246 115.480 115.700 0.043 0.000 2.768 147 S HA 0.103 4.590 4.470 0.027 0.000 0.246 147 S C 0.858 175.540 174.600 0.136 0.000 1.006 147 S CA -0.086 58.193 58.200 0.132 0.000 1.075 147 S CB 0.125 63.385 63.200 0.101 0.000 0.786 147 S HN 0.136 nan 8.310 nan 0.000 0.468 148 Q N -0.832 119.028 119.800 0.100 0.000 2.093 148 Q HA 0.478 4.835 4.340 0.027 0.000 0.217 148 Q C 1.160 177.199 176.000 0.065 0.000 0.785 148 Q CA 0.349 56.193 55.803 0.068 0.000 1.038 148 Q CB 1.060 29.823 28.738 0.041 0.000 1.190 148 Q HN 0.674 nan 8.270 nan 0.000 0.468 149 A N -0.587 122.292 122.820 0.099 0.000 2.048 149 A HA 0.091 4.427 4.320 0.027 0.000 0.197 149 A C 1.220 178.891 177.584 0.145 0.000 1.486 149 A CA -0.178 51.914 52.037 0.092 0.000 1.029 149 A CB -0.173 18.874 19.000 0.078 0.000 1.101 149 A HN 0.338 nan 8.150 nan 0.000 0.470 150 F N 1.599 121.550 119.950 0.002 0.000 2.126 150 F HA -0.190 4.354 4.527 0.027 0.000 0.299 150 F C 2.199 178.001 175.800 0.004 0.000 1.096 150 F CA 2.285 60.288 58.000 0.004 0.000 1.255 150 F CB -0.382 38.619 39.000 0.001 0.000 0.997 150 F HN 0.316 nan 8.300 nan 0.000 0.479 151 Q N 0.534 120.324 119.800 -0.017 0.000 2.170 151 Q HA -0.168 4.188 4.340 0.027 0.000 0.203 151 Q C 2.184 178.128 176.000 -0.094 0.000 0.976 151 Q CA 1.655 57.388 55.803 -0.117 0.000 0.858 151 Q CB -0.212 28.500 28.738 -0.043 0.000 0.907 151 Q HN 0.324 nan 8.270 nan 0.000 0.433 152 R N -0.577 119.903 120.500 -0.033 0.000 2.115 152 R HA -0.031 4.326 4.340 0.027 0.000 0.230 152 R C 2.305 178.587 176.300 -0.030 0.000 1.111 152 R CA 1.279 57.363 56.100 -0.026 0.000 0.976 152 R CB -0.199 30.102 30.300 0.002 0.000 0.870 152 R HN 0.355 nan 8.270 nan 0.000 0.445 153 Q N 0.505 120.290 119.800 -0.024 0.000 1.967 153 Q HA -0.136 4.220 4.340 0.027 0.000 0.202 153 Q C 2.098 178.056 176.000 -0.070 0.000 0.985 153 Q CA 1.570 57.365 55.803 -0.013 0.000 0.839 153 Q CB -0.136 28.635 28.738 0.055 0.000 0.906 153 Q HN 0.333 nan 8.270 nan 0.000 0.423 154 L N 0.159 121.267 121.223 -0.190 0.000 2.051 154 L HA -0.266 4.090 4.340 0.027 0.000 0.214 154 L C 2.507 179.314 176.870 -0.106 0.000 1.076 154 L CA 1.711 56.431 54.840 -0.200 0.000 0.758 154 L CB -0.980 40.877 42.059 -0.336 0.000 0.890 154 L HN 0.302 nan 8.230 nan 0.000 0.433 155 T N -0.136 114.362 114.554 -0.094 0.000 2.684 155 T HA -0.173 4.193 4.350 0.027 0.000 0.267 155 T C 1.913 176.591 174.700 -0.036 0.000 1.036 155 T CA 1.483 63.544 62.100 -0.065 0.000 1.148 155 T CB -0.237 68.586 68.868 -0.075 0.000 0.863 155 T HN 0.485 nan 8.240 nan 0.000 0.436 156 A N 0.349 123.155 122.820 -0.023 0.000 2.067 156 A HA 0.272 4.608 4.320 0.027 0.000 0.217 156 A C 2.213 179.804 177.584 0.011 0.000 1.156 156 A CA 0.550 52.587 52.037 0.000 0.000 0.683 156 A CB -0.542 18.465 19.000 0.011 0.000 0.808 156 A HN 0.449 nan 8.150 nan 0.000 0.455 157 L N -0.875 120.352 121.223 0.006 0.000 2.179 157 L HA -0.024 4.333 4.340 0.027 0.000 0.208 157 L C 2.235 179.095 176.870 -0.017 0.000 1.096 157 L CA 0.872 55.736 54.840 0.041 0.000 0.779 157 L CB -0.183 41.908 42.059 0.053 0.000 0.922 157 L HN 0.381 nan 8.230 nan 0.000 0.443 158 I N -1.046 119.491 120.570 -0.054 0.000 2.400 158 I HA -0.054 4.132 4.170 0.027 0.000 0.248 158 I C 1.684 177.764 176.117 -0.063 0.000 1.109 158 I CA 1.068 62.311 61.300 -0.095 0.000 1.425 158 I CB -0.189 37.792 38.000 -0.031 0.000 1.094 158 I HN 0.402 nan 8.210 nan 0.000 0.425 159 G N 0.033 108.831 108.800 -0.002 0.000 2.175 159 G HA2 -0.317 3.659 3.960 0.027 0.000 0.244 159 G HA3 -0.317 3.659 3.960 0.027 0.000 0.244 159 G C 0.022 174.992 174.900 0.116 0.000 0.982 159 G CA 0.129 45.252 45.100 0.038 0.000 0.641 159 G HN 0.399 nan 8.290 nan 0.000 0.527 160 Y N 0.236 120.514 120.300 -0.036 0.000 2.519 160 Y HA 0.528 5.095 4.550 0.028 0.000 0.336 160 Y C -1.498 174.382 175.900 -0.034 0.000 1.089 160 Y CA -0.871 57.215 58.100 -0.025 0.000 1.025 160 Y CB 1.890 40.342 38.460 -0.014 0.000 1.318 160 Y HN 0.077 nan 8.280 nan 0.000 0.452 161 D N 4.494 124.497 120.400 -0.662 0.000 2.393 161 D HA 0.203 4.860 4.640 0.027 0.000 0.232 161 D C 1.053 177.091 176.300 -0.437 0.000 1.192 161 D CA -0.008 53.721 54.000 -0.451 0.000 0.882 161 D CB 1.282 41.879 40.800 -0.338 0.000 1.038 161 D HN 0.513 nan 8.370 nan 0.000 0.499 162 V N 2.201 122.075 119.914 -0.067 0.000 2.287 162 V HA -0.249 3.887 4.120 0.027 0.000 0.248 162 V C 2.242 178.338 176.094 0.004 0.000 1.053 162 V CA 2.242 64.585 62.300 0.071 0.000 1.027 162 V CB -2.007 29.849 31.823 0.055 0.000 0.646 162 V HN 0.695 nan 8.190 nan 0.000 0.447 163 T N -1.851 112.676 114.554 -0.045 0.000 2.881 163 T HA -0.179 4.187 4.350 0.027 0.000 0.270 163 T C 0.994 175.668 174.700 -0.043 0.000 1.068 163 T CA 1.023 63.102 62.100 -0.036 0.000 1.131 163 T CB -0.831 68.014 68.868 -0.039 0.000 0.871 163 T HN 0.649 nan 8.240 nan 0.000 0.479 164 D N 0.985 121.332 120.400 -0.089 0.000 2.525 164 D HA -0.027 4.630 4.640 0.027 0.000 0.235 164 D C 0.304 176.586 176.300 -0.031 0.000 1.137 164 D CA 0.170 54.118 54.000 -0.087 0.000 0.868 164 D CB 0.927 41.622 40.800 -0.175 0.000 1.180 164 D HN 0.149 nan 8.370 nan 0.000 0.465 165 V N 3.323 123.228 119.914 -0.015 0.000 3.078 165 V HA -0.043 4.094 4.120 0.027 0.000 0.344 165 V C 1.831 177.931 176.094 0.011 0.000 1.409 165 V CA 0.442 62.747 62.300 0.008 0.000 1.146 165 V CB 0.115 31.948 31.823 0.016 0.000 1.126 165 V HN 0.675 nan 8.190 nan 0.000 0.513 166 S N 0.556 116.256 115.700 -0.001 0.000 2.387 166 S HA -0.086 4.401 4.470 0.027 0.000 0.226 166 S C 1.400 176.004 174.600 0.008 0.000 1.026 166 S CA 1.641 59.840 58.200 -0.002 0.000 0.972 166 S CB -0.306 62.881 63.200 -0.022 0.000 0.814 166 S HN 0.521 nan 8.310 nan 0.000 0.477 167 N N 0.737 119.447 118.700 0.018 0.000 2.376 167 N HA 0.309 5.065 4.740 0.027 0.000 0.249 167 N C -1.070 174.448 175.510 0.013 0.000 1.140 167 N CA -0.172 52.888 53.050 0.017 0.000 0.870 167 N CB 0.655 39.152 38.487 0.017 0.000 1.124 167 N HN 0.267 nan 8.380 nan 0.000 0.505 168 V N 1.188 121.110 119.914 0.013 0.000 2.680 168 V HA 0.271 4.408 4.120 0.027 0.000 0.309 168 V C 0.471 176.583 176.094 0.030 0.000 1.052 168 V CA -0.715 61.563 62.300 -0.037 0.000 0.908 168 V CB 1.638 33.444 31.823 -0.029 0.000 1.001 168 V HN 0.538 nan 8.190 nan 0.000 0.431 169 H N 2.768 121.912 119.070 0.123 0.000 2.594 169 H HA 0.383 4.955 4.556 0.027 0.000 0.279 169 H C -0.469 174.974 175.328 0.191 0.000 1.042 169 H CA -0.111 56.035 56.048 0.163 0.000 1.177 169 H CB 0.776 30.675 29.762 0.228 0.000 1.524 169 H HN 0.718 nan 8.280 nan 0.000 0.537 170 D N 0.857 121.373 120.400 0.192 0.000 2.851 170 D HA -0.055 4.601 4.640 0.027 0.000 0.339 170 D C -0.722 175.667 176.300 0.149 0.000 1.347 170 D CA -0.456 53.690 54.000 0.243 0.000 0.888 170 D CB 0.570 41.591 40.800 0.369 0.000 1.431 170 D HN 0.140 nan 8.370 nan 0.000 0.509 171 D N -0.961 119.557 120.400 0.197 0.000 2.894 171 D HA 0.086 4.743 4.640 0.027 0.000 0.273 171 D C 0.501 176.835 176.300 0.057 0.000 1.328 171 D CA -0.286 53.808 54.000 0.155 0.000 0.845 171 D CB 0.413 41.336 40.800 0.205 0.000 1.072 171 D HN 0.540 nan 8.370 nan 0.000 0.484 172 E N 0.263 120.380 120.200 -0.139 0.000 2.107 172 E HA -0.055 4.311 4.350 0.027 0.000 0.191 172 E C 1.801 178.399 176.600 -0.003 0.000 0.982 172 E CA 0.381 56.511 56.400 -0.450 0.000 0.809 172 E CB 0.241 29.751 29.700 -0.317 0.000 0.756 172 E HN 0.333 nan 8.360 nan 0.000 0.459 173 L N 0.876 122.106 121.223 0.012 0.000 2.027 173 L HA -0.152 4.204 4.340 0.027 0.000 0.206 173 L C 2.572 179.456 176.870 0.023 0.000 1.074 173 L CA 0.848 55.665 54.840 -0.038 0.000 0.745 173 L CB -0.363 41.623 42.059 -0.122 0.000 0.898 173 L HN 0.045 nan 8.230 nan 0.000 0.433 174 E N -0.018 120.214 120.200 0.053 0.000 2.085 174 E HA -0.260 4.107 4.350 0.027 0.000 0.194 174 E C 2.032 178.686 176.600 0.090 0.000 0.994 174 E CA 1.413 57.854 56.400 0.068 0.000 0.801 174 E CB -0.394 29.358 29.700 0.086 0.000 0.743 174 E HN 0.374 nan 8.360 nan 0.000 0.453 175 F N 1.656 121.605 119.950 -0.002 0.000 2.126 175 F HA -0.219 4.324 4.527 0.027 0.000 0.299 175 F C 2.284 178.097 175.800 0.022 0.000 1.096 175 F CA 1.876 59.890 58.000 0.023 0.000 1.255 175 F CB -0.199 38.806 39.000 0.007 0.000 0.997 175 F HN -0.039 nan 8.300 nan 0.000 0.479 176 T N 0.412 115.034 114.554 0.114 0.000 2.896 176 T HA -0.076 4.291 4.350 0.027 0.000 0.263 176 T C 1.968 176.657 174.700 -0.018 0.000 1.050 176 T CA 1.086 63.219 62.100 0.056 0.000 1.140 176 T CB -0.213 68.740 68.868 0.142 0.000 0.877 176 T HN 0.240 nan 8.240 nan 0.000 0.457 177 R N 1.094 121.587 120.500 -0.012 0.000 2.080 177 R HA 0.002 4.358 4.340 0.027 0.000 0.236 177 R C 2.772 179.046 176.300 -0.043 0.000 1.137 177 R CA 1.271 57.361 56.100 -0.017 0.000 0.943 177 R CB -0.252 30.044 30.300 -0.007 0.000 0.846 177 R HN 0.297 nan 8.270 nan 0.000 0.431 178 R N -0.056 120.398 120.500 -0.076 0.000 2.083 178 R HA -0.104 4.252 4.340 0.027 0.000 0.237 178 R C 2.484 178.688 176.300 -0.160 0.000 1.137 178 R CA 1.459 57.493 56.100 -0.109 0.000 0.951 178 R CB -0.650 29.570 30.300 -0.134 0.000 0.851 178 R HN 0.389 nan 8.270 nan 0.000 0.434 179 G N 1.005 109.652 108.800 -0.255 0.000 2.469 179 G HA2 -0.237 3.739 3.960 0.027 0.000 0.220 179 G HA3 -0.237 3.739 3.960 0.027 0.000 0.220 179 G C 1.353 176.195 174.900 -0.097 0.000 1.136 179 G CA 0.622 45.573 45.100 -0.248 0.000 0.759 179 G HN 0.193 nan 8.290 nan 0.000 0.562 180 L N 0.486 121.678 121.223 -0.052 0.000 2.492 180 L HA 0.052 4.408 4.340 0.027 0.000 0.223 180 L C 2.744 179.609 176.870 -0.009 0.000 1.132 180 L CA -0.254 54.580 54.840 -0.009 0.000 0.850 180 L CB -0.031 42.038 42.059 0.017 0.000 0.966 180 L HN 0.046 nan 8.230 nan 0.000 0.454 181 V N -0.268 119.632 119.914 -0.023 0.000 2.324 181 V HA -0.327 3.810 4.120 0.027 0.000 0.250 181 V C 2.509 178.596 176.094 -0.012 0.000 1.060 181 V CA 2.512 64.802 62.300 -0.015 0.000 1.042 181 V CB -1.038 30.773 31.823 -0.020 0.000 0.650 181 V HN 0.498 nan 8.190 nan 0.000 0.450 182 T N 0.872 115.417 114.554 -0.016 0.000 2.643 182 T HA -0.087 4.279 4.350 0.027 0.000 0.264 182 T C 0.101 174.801 174.700 -0.000 0.000 1.045 182 T CA 1.926 64.021 62.100 -0.008 0.000 1.155 182 T CB -1.528 67.335 68.868 -0.008 0.000 0.863 182 T HN 0.498 nan 8.240 nan 0.000 0.420 183 P HA -0.113 nan 4.420 nan 0.000 0.218 183 P C 1.446 178.753 177.300 0.011 0.000 1.148 183 P CA 1.265 64.376 63.100 0.017 0.000 0.822 183 P CB -0.040 31.680 31.700 0.033 0.000 0.784 184 R N 0.048 120.553 120.500 0.008 0.000 2.061 184 R HA -0.019 4.338 4.340 0.027 0.000 0.230 184 R C 2.441 178.729 176.300 -0.019 0.000 1.140 184 R CA 1.739 57.839 56.100 -0.000 0.000 0.940 184 R CB -0.784 29.517 30.300 0.002 0.000 0.839 184 R HN 0.029 nan 8.270 nan 0.000 0.429 185 M N 0.472 120.062 119.600 -0.017 0.000 2.149 185 M HA -0.113 4.383 4.480 0.027 0.000 0.261 185 M C 2.509 178.793 176.300 -0.026 0.000 1.064 185 M CA 1.769 57.054 55.300 -0.024 0.000 1.102 185 M CB -0.338 32.251 32.600 -0.017 0.000 1.369 185 M HN 0.411 nan 8.290 nan 0.000 0.408 186 A N 0.015 122.825 122.820 -0.016 0.000 1.908 186 A HA -0.205 4.132 4.320 0.027 0.000 0.218 186 A C 1.985 179.556 177.584 -0.022 0.000 1.181 186 A CA 2.083 54.112 52.037 -0.013 0.000 0.627 186 A CB -0.573 18.427 19.000 -0.001 0.000 0.818 186 A HN 0.408 nan 8.150 nan 0.000 0.445 187 E N -0.216 119.967 120.200 -0.028 0.000 2.046 187 E HA -0.074 4.293 4.350 0.027 0.000 0.190 187 E C 1.942 178.491 176.600 -0.086 0.000 0.982 187 E CA 1.312 57.687 56.400 -0.043 0.000 0.800 187 E CB -0.408 29.274 29.700 -0.030 0.000 0.756 187 E HN 0.246 nan 8.360 nan 0.000 0.449 188 V N 1.041 120.894 119.914 -0.102 0.000 2.255 188 V HA -0.289 3.847 4.120 0.027 0.000 0.247 188 V C 2.389 178.409 176.094 -0.123 0.000 1.051 188 V CA 2.057 64.267 62.300 -0.151 0.000 1.018 188 V CB -1.111 30.639 31.823 -0.121 0.000 0.641 188 V HN 0.424 nan 8.190 nan 0.000 0.445 189 A N -1.151 121.623 122.820 -0.077 0.000 2.076 189 A HA -0.213 4.123 4.320 0.027 0.000 0.220 189 A C 2.465 180.020 177.584 -0.049 0.000 1.160 189 A CA 2.138 54.142 52.037 -0.055 0.000 0.653 189 A CB -0.530 18.448 19.000 -0.037 0.000 0.801 189 A HN 0.471 nan 8.150 nan 0.000 0.455 190 S N -0.680 114.989 115.700 -0.052 0.000 2.478 190 S HA 0.012 4.498 4.470 0.027 0.000 0.222 190 S C 1.087 175.663 174.600 -0.040 0.000 1.008 190 S CA -0.116 58.062 58.200 -0.036 0.000 0.928 190 S CB -0.192 62.993 63.200 -0.023 0.000 0.781 190 S HN 0.744 nan 8.310 nan 0.000 0.518 191 R N 1.639 122.092 120.500 -0.078 0.000 2.438 191 R HA 0.286 4.643 4.340 0.027 0.000 0.287 191 R C -0.796 175.483 176.300 -0.036 0.000 1.077 191 R CA -0.525 55.533 56.100 -0.070 0.000 1.034 191 R CB 0.208 30.401 30.300 -0.179 0.000 0.993 191 R HN 0.009 nan 8.270 nan 0.000 0.459 192 D N 4.088 124.497 120.400 0.015 0.000 2.382 192 D HA 0.052 4.708 4.640 0.027 0.000 0.259 192 D C -1.511 174.824 176.300 0.058 0.000 1.224 192 D CA -2.223 51.794 54.000 0.029 0.000 0.894 192 D CB 1.384 42.208 40.800 0.039 0.000 1.127 192 D HN 0.357 nan 8.370 nan 0.000 0.487 193 P HA -0.124 nan 4.420 nan 0.000 0.218 193 P C 1.074 178.435 177.300 0.102 0.000 1.148 193 P CA 1.246 64.393 63.100 0.079 0.000 0.822 193 P CB 0.340 32.062 31.700 0.035 0.000 0.784 194 K N -0.394 120.034 120.400 0.048 0.000 1.984 194 K HA -0.040 4.296 4.320 0.027 0.000 0.209 194 K C 2.103 178.707 176.600 0.006 0.000 1.046 194 K CA 1.165 57.456 56.287 0.007 0.000 0.934 194 K CB -0.894 31.598 32.500 -0.014 0.000 0.717 194 K HN 0.141 nan 8.250 nan 0.000 0.438 195 L N 0.199 121.447 121.223 0.042 0.000 2.187 195 L HA -0.215 4.141 4.340 0.027 0.000 0.213 195 L C 2.496 179.430 176.870 0.107 0.000 1.100 195 L CA 1.072 55.946 54.840 0.057 0.000 0.765 195 L CB -0.379 41.726 42.059 0.077 0.000 0.904 195 L HN 0.246 nan 8.230 nan 0.000 0.437 196 Y N 0.473 120.786 120.300 0.023 0.000 2.263 196 Y HA -0.151 4.415 4.550 0.027 0.000 0.292 196 Y C 2.457 178.398 175.900 0.069 0.000 1.130 196 Y CA 1.026 59.157 58.100 0.052 0.000 1.179 196 Y CB -0.185 38.295 38.460 0.033 0.000 0.998 196 Y HN 0.075 nan 8.280 nan 0.000 0.532 197 A N 0.136 122.953 122.820 -0.006 0.000 1.933 197 A HA -0.155 4.181 4.320 0.027 0.000 0.218 197 A C 2.138 179.631 177.584 -0.152 0.000 1.175 197 A CA 2.035 54.013 52.037 -0.099 0.000 0.628 197 A CB -0.612 18.345 19.000 -0.071 0.000 0.814 197 A HN 0.567 nan 8.150 nan 0.000 0.444 198 M N -0.693 118.755 119.600 -0.253 0.000 2.492 198 M HA 0.066 4.562 4.480 0.027 0.000 0.255 198 M C 0.167 176.087 176.300 -0.633 0.000 1.139 198 M CA 0.463 55.442 55.300 -0.535 0.000 1.096 198 M CB -0.105 32.137 32.600 -0.596 0.000 1.360 198 M HN 0.742 nan 8.290 nan 0.000 0.480 199 H N -0.273 118.783 119.070 -0.023 0.000 2.415 199 H HA -0.075 4.497 4.556 0.027 0.000 0.323 199 H C -2.558 172.861 175.328 0.152 0.000 1.035 199 H CA -0.345 55.721 56.048 0.029 0.000 1.098 199 H CB -2.295 27.430 29.762 -0.061 0.000 1.575 199 H HN 0.205 nan 8.280 nan 0.000 0.387 200 P HA -0.088 nan 4.420 nan 0.000 0.264 200 P C 0.176 177.681 177.300 0.342 0.000 1.183 200 P CA 0.175 63.443 63.100 0.281 0.000 0.763 200 P CB 0.467 32.364 31.700 0.329 0.000 0.807 201 W N 5.705 127.122 121.300 0.193 0.000 2.317 201 W HA 0.408 5.084 4.660 0.027 0.000 0.327 201 W C -1.431 175.109 176.519 0.034 0.000 1.036 201 W CA -0.704 56.725 57.345 0.139 0.000 1.419 201 W CB 0.194 29.766 29.460 0.185 0.000 1.253 201 W HN 0.071 nan 8.180 nan 0.000 0.392 202 V N 4.546 124.513 119.914 0.087 0.000 3.019 202 V HA 0.722 4.859 4.120 0.027 0.000 0.317 202 V C -0.306 175.721 176.094 -0.113 0.000 1.094 202 V CA -0.751 61.422 62.300 -0.211 0.000 1.000 202 V CB 2.366 34.007 31.823 -0.302 0.000 1.060 202 V HN 0.325 nan 8.190 nan 0.000 0.443 203 T N 0.371 114.826 114.554 -0.165 0.000 3.032 203 T HA 0.275 4.642 4.350 0.027 0.000 0.312 203 T C 0.189 174.841 174.700 -0.081 0.000 1.078 203 T CA -0.221 61.826 62.100 -0.088 0.000 1.028 203 T CB 1.678 70.486 68.868 -0.100 0.000 1.091 203 T HN 0.513 nan 8.240 nan 0.000 0.457 204 S N 3.050 118.728 115.700 -0.035 0.000 2.631 204 S HA 0.231 4.718 4.470 0.027 0.000 0.217 204 S C 0.642 175.231 174.600 -0.018 0.000 0.958 204 S CA -0.117 58.067 58.200 -0.026 0.000 0.920 204 S CB -0.148 63.048 63.200 -0.008 0.000 0.776 204 S HN 0.559 nan 8.310 nan 0.000 0.517 205 K N 2.918 123.303 120.400 -0.025 0.000 2.237 205 K HA 0.221 4.557 4.320 0.027 0.000 0.270 205 K C -2.423 174.162 176.600 -0.024 0.000 1.015 205 K CA -1.692 54.583 56.287 -0.021 0.000 0.949 205 K CB 0.256 32.742 32.500 -0.024 0.000 0.976 205 K HN 0.072 nan 8.250 nan 0.000 0.472 206 P HA -0.059 nan 4.420 nan 0.000 0.271 206 P C -0.543 176.746 177.300 -0.018 0.000 1.218 206 P CA -0.385 62.728 63.100 0.022 0.000 0.780 206 P CB 0.528 32.254 31.700 0.043 0.000 0.901 207 L N 4.959 126.176 121.223 -0.009 0.000 2.477 207 L HA 0.155 4.511 4.340 0.027 0.000 0.272 207 L C -1.846 174.917 176.870 -0.178 0.000 1.157 207 L CA -1.413 53.297 54.840 -0.218 0.000 0.889 207 L CB -0.043 41.687 42.059 -0.548 0.000 1.158 207 L HN 0.308 nan 8.230 nan 0.000 0.473 208 P HA 0.008 nan 4.420 nan 0.000 0.271 208 P C 0.287 177.401 177.300 -0.309 0.000 1.238 208 P CA -0.116 62.735 63.100 -0.416 0.000 0.794 208 P CB 0.890 32.014 31.700 -0.959 0.000 0.959 209 E N 0.364 120.435 120.200 -0.215 0.000 2.047 209 E HA -0.194 4.173 4.350 0.027 0.000 0.191 209 E C 1.894 178.489 176.600 -0.010 0.000 0.987 209 E CA 1.430 57.838 56.400 0.013 0.000 0.799 209 E CB -1.199 28.536 29.700 0.059 0.000 0.752 209 E HN 0.567 nan 8.360 nan 0.000 0.449 210 Y N -0.509 119.826 120.300 0.058 0.000 2.446 210 Y HA -0.101 4.465 4.550 0.027 0.000 0.287 210 Y C 1.523 177.411 175.900 -0.019 0.000 1.159 210 Y CA 0.765 58.874 58.100 0.015 0.000 1.297 210 Y CB -0.668 37.790 38.460 -0.003 0.000 0.974 210 Y HN 0.022 nan 8.280 nan 0.000 0.557 211 L N -2.728 118.431 121.223 -0.108 0.000 2.470 211 L HA 0.104 4.461 4.340 0.027 0.000 0.219 211 L C 1.943 178.723 176.870 -0.150 0.000 1.071 211 L CA 0.160 54.911 54.840 -0.149 0.000 0.850 211 L CB -0.397 41.487 42.059 -0.292 0.000 1.040 211 L HN 0.245 nan 8.230 nan 0.000 0.475 212 W N 1.931 123.176 121.300 -0.092 0.000 2.407 212 W HA -0.122 4.554 4.660 0.027 0.000 0.305 212 W C 2.490 178.985 176.519 -0.040 0.000 1.196 212 W CA 0.631 57.935 57.345 -0.068 0.000 1.311 212 W CB 0.232 29.646 29.460 -0.076 0.000 1.135 212 W HN 0.035 nan 8.180 nan 0.000 0.514 213 K N 0.886 121.418 120.400 0.219 0.000 2.574 213 K HA -0.076 4.261 4.320 0.027 0.000 0.193 213 K C 0.806 177.462 176.600 0.094 0.000 1.035 213 K CA 1.124 57.490 56.287 0.132 0.000 0.982 213 K CB -0.256 32.310 32.500 0.110 0.000 0.795 213 K HN 0.094 nan 8.250 nan 0.000 0.491 214 K N 0.947 121.397 120.400 0.082 0.000 2.618 214 K HA 0.315 4.651 4.320 0.027 0.000 0.207 214 K C -0.795 175.825 176.600 0.033 0.000 1.058 214 K CA -0.242 56.071 56.287 0.043 0.000 1.086 214 K CB 0.500 33.013 32.500 0.021 0.000 0.827 214 K HN 0.108 nan 8.250 nan 0.000 0.481 215 I N 0.133 120.746 120.570 0.072 0.000 2.474 215 I HA 0.170 4.356 4.170 0.027 0.000 0.294 215 I C 1.015 177.171 176.117 0.064 0.000 1.005 215 I CA -0.307 61.033 61.300 0.068 0.000 1.113 215 I CB 1.906 39.988 38.000 0.137 0.000 1.289 215 I HN 0.096 nan 8.210 nan 0.000 0.436 216 A N 5.379 128.223 122.820 0.040 0.000 1.835 216 A HA -0.121 4.216 4.320 0.027 0.000 0.215 216 A C 0.472 178.078 177.584 0.037 0.000 1.199 216 A CA 1.908 53.972 52.037 0.045 0.000 0.615 216 A CB -0.435 18.601 19.000 0.060 0.000 0.838 216 A HN 0.908 nan 8.150 nan 0.000 0.444 217 N N -3.618 115.093 118.700 0.018 0.000 3.153 217 N HA 0.155 4.911 4.740 0.027 0.000 0.208 217 N C -0.532 174.981 175.510 0.005 0.000 1.462 217 N CA 0.248 53.308 53.050 0.017 0.000 0.754 217 N CB -0.837 37.660 38.487 0.016 0.000 1.558 217 N HN 0.406 nan 8.380 nan 0.000 0.605 218 N N 0.259 118.987 118.700 0.046 0.000 2.701 218 N HA -0.271 4.486 4.740 0.027 0.000 0.250 218 N C -1.088 174.421 175.510 -0.003 0.000 1.046 218 N CA 1.090 54.181 53.050 0.068 0.000 0.733 218 N CB -0.737 37.769 38.487 0.031 0.000 0.973 218 N HN 0.815 nan 8.380 nan 0.000 0.541 219 C N 0.564 119.816 119.300 -0.081 0.000 2.522 219 C HA 0.679 5.155 4.460 0.027 0.000 0.344 219 C C -0.269 174.473 174.990 -0.414 0.000 1.104 219 C CA -1.063 57.798 59.018 -0.261 0.000 1.317 219 C CB 0.362 27.911 27.740 -0.318 0.000 1.896 219 C HN 0.240 nan 8.230 nan 0.000 0.443 220 I N 4.279 124.621 120.570 -0.380 0.000 2.441 220 I HA 0.497 4.684 4.170 0.027 0.000 0.295 220 I C -0.475 175.416 176.117 -0.377 0.000 0.994 220 I CA -0.463 60.643 61.300 -0.324 0.000 1.144 220 I CB 1.618 39.526 38.000 -0.155 0.000 1.314 220 I HN 0.581 nan 8.210 nan 0.000 0.445 221 F N 6.099 126.047 119.950 -0.003 0.000 2.420 221 F HA 0.560 5.103 4.527 0.028 0.000 0.342 221 F C 0.146 175.935 175.800 -0.019 0.000 1.113 221 F CA -0.637 57.361 58.000 -0.003 0.000 1.059 221 F CB 1.266 40.267 39.000 0.003 0.000 1.128 221 F HN 0.139 nan 8.300 nan 0.000 0.475 222 I N 3.117 123.797 120.570 0.183 0.000 2.693 222 I HA 0.541 4.727 4.170 0.027 0.000 0.303 222 I C -1.069 175.054 176.117 0.010 0.000 1.025 222 I CA -1.244 60.090 61.300 0.056 0.000 1.086 222 I CB 2.163 40.174 38.000 0.018 0.000 1.268 222 I HN 0.135 nan 8.210 nan 0.000 0.440 223 V N 5.541 125.385 119.914 -0.115 0.000 2.376 223 V HA 0.444 4.581 4.120 0.027 0.000 0.287 223 V C -0.160 175.944 176.094 0.017 0.000 1.015 223 V CA -0.458 61.763 62.300 -0.133 0.000 0.834 223 V CB 1.134 32.696 31.823 -0.435 0.000 1.001 223 V HN 0.449 nan 8.190 nan 0.000 0.428 224 I N 4.785 125.406 120.570 0.085 0.000 2.315 224 I HA 0.460 4.647 4.170 0.027 0.000 0.291 224 I C -0.190 176.069 176.117 0.236 0.000 1.006 224 I CA -0.336 61.007 61.300 0.072 0.000 1.265 224 I CB 0.688 38.567 38.000 -0.201 0.000 1.387 224 I HN 0.573 nan 8.210 nan 0.000 0.475 225 H N 5.038 124.076 119.070 -0.053 0.000 2.499 225 H HA 0.809 5.381 4.556 0.028 0.000 0.340 225 H C -0.604 174.709 175.328 -0.025 0.000 1.148 225 H CA -0.961 55.080 56.048 -0.012 0.000 1.215 225 H CB 1.480 31.249 29.762 0.011 0.000 1.529 225 H HN 0.404 nan 8.280 nan 0.000 0.510 226 R N 0.475 121.024 120.500 0.082 0.000 2.633 226 R HA 0.360 4.717 4.340 0.027 0.000 0.255 226 R C 0.398 176.704 176.300 0.009 0.000 1.106 226 R CA 0.420 56.535 56.100 0.026 0.000 0.959 226 R CB 0.789 31.100 30.300 0.019 0.000 1.259 226 R HN 0.763 nan 8.270 nan 0.000 0.453 227 S N 1.664 117.364 115.700 0.000 0.000 4.158 227 S HA -0.374 4.113 4.470 0.027 0.000 0.535 227 S C 0.989 175.591 174.600 0.004 0.000 1.843 227 S CA 3.875 62.073 58.200 -0.003 0.000 4.225 227 S CB -1.783 61.411 63.200 -0.011 0.000 0.460 227 S HN 1.507 nan 8.310 nan 0.000 0.454 228 T N -2.312 112.236 114.554 -0.009 0.000 3.304 228 T HA 0.275 4.642 4.350 0.027 0.000 0.269 228 T C 0.603 175.259 174.700 -0.073 0.000 0.895 228 T CA 1.129 63.217 62.100 -0.019 0.000 0.948 228 T CB -0.562 68.297 68.868 -0.016 0.000 1.242 228 T HN 1.521 nan 8.240 nan 0.000 0.522 229 T N 3.471 117.988 114.554 -0.061 0.000 2.576 229 T HA 0.280 4.646 4.350 0.027 0.000 0.251 229 T C 0.525 175.147 174.700 -0.130 0.000 1.050 229 T CA 0.082 62.137 62.100 -0.074 0.000 1.286 229 T CB -0.421 68.425 68.868 -0.037 0.000 1.028 229 T HN 0.428 nan 8.240 nan 0.000 0.509 230 S N 2.359 117.930 115.700 -0.215 0.000 2.602 230 S HA 0.501 4.988 4.470 0.027 0.000 0.257 230 S C 0.220 174.756 174.600 -0.107 0.000 1.250 230 S CA -0.767 57.233 58.200 -0.334 0.000 0.986 230 S CB 0.408 63.414 63.200 -0.324 0.000 1.040 230 S HN 0.898 nan 8.310 nan 0.000 0.562 231 Q N -0.192 119.577 119.800 -0.051 0.000 3.038 231 Q HA 0.203 4.560 4.340 0.027 0.000 0.198 231 Q C -1.948 174.086 176.000 0.055 0.000 0.992 231 Q CA 0.083 55.913 55.803 0.045 0.000 1.158 231 Q CB 0.212 29.056 28.738 0.178 0.000 1.893 231 Q HN 0.616 nan 8.270 nan 0.000 0.561 232 T N 4.635 119.211 114.554 0.036 0.000 2.794 232 T HA 0.774 5.140 4.350 0.027 0.000 0.280 232 T C 0.004 174.769 174.700 0.109 0.000 0.987 232 T CA -0.444 61.676 62.100 0.034 0.000 0.993 232 T CB 0.420 69.243 68.868 -0.075 0.000 0.939 232 T HN 0.469 nan 8.240 nan 0.000 0.449 233 I N 2.175 122.852 120.570 0.178 0.000 2.603 233 I HA 0.412 4.599 4.170 0.027 0.000 0.300 233 I C 0.212 176.517 176.117 0.313 0.000 1.017 233 I CA -1.130 60.299 61.300 0.215 0.000 1.098 233 I CB 2.123 40.238 38.000 0.191 0.000 1.279 233 I HN 0.337 nan 8.210 nan 0.000 0.437 234 K N 3.979 124.538 120.400 0.266 0.000 2.273 234 K HA 0.471 4.808 4.320 0.027 0.000 0.287 234 K C -1.064 175.575 176.600 0.065 0.000 1.089 234 K CA -0.187 56.222 56.287 0.204 0.000 0.909 234 K CB 1.095 33.712 32.500 0.194 0.000 1.123 234 K HN 0.285 nan 8.250 nan 0.000 0.473 235 V N 2.237 122.133 119.914 -0.030 0.000 2.540 235 V HA 0.191 4.327 4.120 0.027 0.000 0.302 235 V C -0.308 175.747 176.094 -0.066 0.000 1.035 235 V CA -0.703 61.583 62.300 -0.024 0.000 0.873 235 V CB 1.995 33.819 31.823 0.001 0.000 0.992 235 V HN 0.723 nan 8.190 nan 0.000 0.428 236 S N 5.761 121.450 115.700 -0.018 0.000 2.525 236 S HA 0.411 4.898 4.470 0.027 0.000 0.278 236 S C -1.465 173.150 174.600 0.024 0.000 1.234 236 S CA -1.356 56.844 58.200 0.001 0.000 1.058 236 S CB 1.534 64.748 63.200 0.025 0.000 0.983 236 S HN 0.566 nan 8.310 nan 0.000 0.495 237 P HA -0.176 nan 4.420 nan 0.000 0.220 237 P C 0.458 177.798 177.300 0.068 0.000 1.155 237 P CA 1.498 64.622 63.100 0.040 0.000 0.880 237 P CB -0.018 31.754 31.700 0.119 0.000 0.790 238 D N -1.330 119.128 120.400 0.096 0.000 2.363 238 D HA -0.038 4.618 4.640 0.027 0.000 0.226 238 D C -0.099 176.242 176.300 0.067 0.000 1.020 238 D CA 0.620 54.671 54.000 0.084 0.000 0.892 238 D CB -0.459 40.390 40.800 0.082 0.000 0.900 238 D HN 0.241 nan 8.370 nan 0.000 0.531 239 D N 1.570 122.006 120.400 0.059 0.000 2.401 239 D HA -0.001 4.656 4.640 0.027 0.000 0.254 239 D C 0.631 176.972 176.300 0.068 0.000 1.192 239 D CA 0.353 54.385 54.000 0.053 0.000 0.885 239 D CB 0.861 41.685 40.800 0.040 0.000 1.147 239 D HN -0.116 nan 8.370 nan 0.000 0.478 240 T N 1.902 116.497 114.554 0.068 0.000 2.898 240 T HA 0.180 4.546 4.350 0.027 0.000 0.301 240 T C -1.717 173.020 174.700 0.061 0.000 1.049 240 T CA -1.503 60.648 62.100 0.084 0.000 1.095 240 T CB 1.016 69.925 68.868 0.069 0.000 0.976 240 T HN 0.066 nan 8.240 nan 0.000 0.539 241 P HA 0.170 nan 4.420 nan 0.000 0.233 241 P C 1.385 178.681 177.300 -0.007 0.000 1.167 241 P CA 0.431 63.525 63.100 -0.011 0.000 0.770 241 P CB -0.114 31.540 31.700 -0.078 0.000 0.837 242 G N 0.390 109.197 108.800 0.013 0.000 2.408 242 G HA2 -0.094 3.882 3.960 0.027 0.000 0.215 242 G HA3 -0.094 3.882 3.960 0.027 0.000 0.215 242 G C 1.526 176.418 174.900 -0.013 0.000 1.156 242 G CA 0.688 45.782 45.100 -0.010 0.000 0.793 242 G HN 0.309 nan 8.290 nan 0.000 0.535 243 A N 0.332 123.160 122.820 0.013 0.000 2.072 243 A HA 0.316 4.652 4.320 0.027 0.000 0.216 243 A C 2.153 179.764 177.584 0.045 0.000 1.156 243 A CA 0.258 52.311 52.037 0.027 0.000 0.701 243 A CB -0.186 18.834 19.000 0.034 0.000 0.816 243 A HN 0.337 nan 8.150 nan 0.000 0.458 244 I N -0.211 120.380 120.570 0.035 0.000 3.001 244 I HA -0.148 4.038 4.170 0.027 0.000 0.268 244 I C 1.809 177.974 176.117 0.080 0.000 1.267 244 I CA 0.671 61.998 61.300 0.046 0.000 1.472 244 I CB 0.016 38.020 38.000 0.007 0.000 1.089 244 I HN 0.316 nan 8.210 nan 0.000 0.468 245 L N -0.555 120.707 121.223 0.066 0.000 2.298 245 L HA 0.002 4.359 4.340 0.027 0.000 0.209 245 L C 1.768 178.758 176.870 0.199 0.000 1.084 245 L CA 0.416 55.330 54.840 0.124 0.000 0.816 245 L CB -0.316 41.703 42.059 -0.067 0.000 0.967 245 L HN 0.200 nan 8.230 nan 0.000 0.460 246 Q N -0.400 119.457 119.800 0.096 0.000 2.387 246 Q HA 0.007 4.364 4.340 0.027 0.000 0.211 246 Q C 1.180 177.272 176.000 0.154 0.000 0.952 246 Q CA 0.346 56.216 55.803 0.112 0.000 0.957 246 Q CB 0.344 29.110 28.738 0.046 0.000 1.002 246 Q HN 0.170 nan 8.270 nan 0.000 0.502 247 S N -1.167 114.659 115.700 0.210 0.000 2.941 247 S HA 0.287 4.773 4.470 0.027 0.000 0.251 247 S C -0.008 174.787 174.600 0.325 0.000 1.029 247 S CA -0.506 57.817 58.200 0.205 0.000 1.062 247 S CB 0.047 63.342 63.200 0.158 0.000 0.977 247 S HN 0.351 nan 8.310 nan 0.000 0.552 248 F N -0.846 119.213 119.950 0.182 0.000 2.764 248 F HA 0.431 4.974 4.527 0.028 0.000 0.393 248 F C 0.264 176.180 175.800 0.193 0.000 0.854 248 F CA -0.154 57.958 58.000 0.187 0.000 1.003 248 F CB 0.351 39.493 39.000 0.237 0.000 1.085 248 F HN 0.271 nan 8.300 nan 0.000 0.592 249 F N -0.155 119.907 119.950 0.186 0.000 2.749 249 F HA 0.152 4.695 4.527 0.028 0.000 0.300 249 F C 1.575 177.400 175.800 0.041 0.000 1.103 249 F CA 1.240 59.307 58.000 0.111 0.000 1.342 249 F CB 0.533 39.616 39.000 0.139 0.000 1.098 249 F HN -0.111 nan 8.300 nan 0.000 0.586 250 T N -2.612 112.055 114.554 0.188 0.000 3.177 250 T HA 0.017 4.384 4.350 0.027 0.000 0.262 250 T C 1.441 176.173 174.700 0.053 0.000 0.959 250 T CA -0.216 61.945 62.100 0.102 0.000 0.996 250 T CB 0.145 69.081 68.868 0.113 0.000 1.185 250 T HN -0.231 nan 8.240 nan 0.000 0.486 251 K N 1.774 122.217 120.400 0.072 0.000 2.632 251 K HA 0.167 4.503 4.320 0.027 0.000 0.196 251 K C 0.110 176.697 176.600 -0.021 0.000 1.023 251 K CA 0.305 56.619 56.287 0.044 0.000 1.098 251 K CB -0.289 32.263 32.500 0.086 0.000 0.862 251 K HN 0.511 nan 8.250 nan 0.000 0.504 270 F N 0.667 120.608 119.950 -0.014 0.000 2.732 270 F HA 0.730 5.273 4.527 0.027 0.000 0.394 270 F C 0.004 175.800 175.800 -0.006 0.000 1.194 270 F CA -0.921 57.103 58.000 0.040 0.000 1.127 270 F CB 1.033 40.123 39.000 0.150 0.000 1.470 270 F HN -0.138 nan 8.300 nan 0.000 0.505 271 V N 1.533 121.604 119.914 0.262 0.000 2.851 271 V HA 0.453 4.590 4.120 0.027 0.000 0.307 271 V C -1.417 174.736 176.094 0.097 0.000 1.129 271 V CA -0.827 61.553 62.300 0.134 0.000 0.932 271 V CB 2.160 34.049 31.823 0.110 0.000 1.024 271 V HN 0.537 nan 8.190 nan 0.000 0.426 272 L N 6.524 127.768 121.223 0.035 0.000 2.295 272 L HA 0.570 4.927 4.340 0.027 0.000 0.288 272 L C 0.349 177.183 176.870 -0.061 0.000 1.079 272 L CA 0.064 54.878 54.840 -0.045 0.000 0.830 272 L CB 0.515 42.510 42.059 -0.108 0.000 1.200 272 L HN 0.544 nan 8.230 nan 0.000 0.438 273 R N 2.911 123.340 120.500 -0.118 0.000 2.393 273 R HA 0.500 4.856 4.340 0.027 0.000 0.310 273 R C -0.683 175.427 176.300 -0.318 0.000 0.968 273 R CA -0.728 55.183 56.100 -0.314 0.000 0.867 273 R CB 1.548 31.623 30.300 -0.375 0.000 1.124 273 R HN 0.331 nan 8.270 nan 0.000 0.450 274 V N 4.138 123.808 119.914 -0.407 0.000 2.788 274 V HA -0.089 4.048 4.120 0.027 0.000 0.307 274 V C 0.429 176.309 176.094 -0.358 0.000 1.069 274 V CA -0.166 61.887 62.300 -0.412 0.000 1.173 274 V CB 0.499 31.876 31.823 -0.743 0.000 0.925 274 V HN 0.852 nan 8.190 nan 0.000 0.492 275 C N 4.673 123.819 119.300 -0.257 0.000 2.629 275 C HA 0.504 4.981 4.460 0.027 0.000 0.410 275 C C 1.572 176.438 174.990 -0.206 0.000 1.339 275 C CA 0.724 59.618 59.018 -0.206 0.000 1.810 275 C CB -0.742 26.890 27.740 -0.180 0.000 2.549 275 C HN 1.348 nan 8.230 nan 0.000 0.589 276 G N 3.744 112.433 108.800 -0.185 0.000 2.179 276 G HA2 -0.209 3.767 3.960 0.027 0.000 0.260 276 G HA3 -0.209 3.767 3.960 0.027 0.000 0.260 276 G C -0.066 174.700 174.900 -0.223 0.000 0.977 276 G CA 0.588 45.589 45.100 -0.166 0.000 0.641 276 G HN 0.872 nan 8.290 nan 0.000 0.533 277 R N -0.864 119.449 120.500 -0.312 0.000 2.774 277 R HA 0.606 4.962 4.340 0.027 0.000 0.272 277 R C -1.782 174.289 176.300 -0.381 0.000 1.000 277 R CA -1.107 54.783 56.100 -0.349 0.000 0.906 277 R CB 0.915 30.956 30.300 -0.433 0.000 1.227 277 R HN -0.073 nan 8.270 nan 0.000 0.468 278 D N 1.416 121.629 120.400 -0.311 0.000 2.619 278 D HA 0.163 4.820 4.640 0.027 0.000 0.224 278 D C -0.958 175.181 176.300 -0.268 0.000 1.133 278 D CA 0.381 54.211 54.000 -0.283 0.000 1.017 278 D CB 0.428 41.167 40.800 -0.101 0.000 1.077 278 D HN 0.354 nan 8.370 nan 0.000 0.503 279 E N 0.836 120.719 120.200 -0.528 0.000 2.265 279 E HA 0.261 4.628 4.350 0.027 0.000 0.262 279 E C -1.560 174.717 176.600 -0.539 0.000 0.889 279 E CA -0.697 55.479 56.400 -0.374 0.000 0.789 279 E CB 0.695 30.212 29.700 -0.305 0.000 1.221 279 E HN 0.082 nan 8.360 nan 0.000 0.414 280 Y N 3.532 123.734 120.300 -0.163 0.000 2.331 280 Y HA 0.374 4.940 4.550 0.027 0.000 0.338 280 Y C -0.353 175.481 175.900 -0.110 0.000 0.992 280 Y CA -1.159 56.850 58.100 -0.152 0.000 1.121 280 Y CB 1.055 39.408 38.460 -0.177 0.000 1.184 280 Y HN 0.363 nan 8.280 nan 0.000 0.469 281 L N 5.965 127.106 121.223 -0.136 0.000 2.389 281 L HA 0.340 4.696 4.340 0.027 0.000 0.265 281 L C -0.109 176.600 176.870 -0.269 0.000 1.167 281 L CA -0.604 53.882 54.840 -0.589 0.000 1.045 281 L CB -0.835 40.797 42.059 -0.711 0.000 1.351 281 L HN 0.449 nan 8.230 nan 0.000 0.419 282 V N -1.095 118.861 119.914 0.069 0.000 3.126 282 V HA 1.082 5.219 4.120 0.027 0.000 0.314 282 V C 0.465 176.727 176.094 0.280 0.000 1.138 282 V CA -0.492 61.894 62.300 0.142 0.000 1.034 282 V CB 1.255 33.125 31.823 0.078 0.000 1.075 282 V HN 0.771 nan 8.190 nan 0.000 0.442 283 G N 1.008 109.904 108.800 0.159 0.000 2.796 283 G HA2 -0.086 3.890 3.960 0.027 0.000 0.571 283 G HA3 -0.086 3.890 3.960 0.027 0.000 0.571 283 G C -0.431 174.557 174.900 0.147 0.000 1.370 283 G CA -0.063 45.119 45.100 0.136 0.000 0.856 283 G HN 1.067 nan 8.290 nan 0.000 0.538 284 E N 1.387 121.642 120.200 0.092 0.000 2.148 284 E HA 0.324 4.690 4.350 0.027 0.000 0.308 284 E C 0.463 177.102 176.600 0.066 0.000 1.278 284 E CA 0.572 57.017 56.400 0.075 0.000 1.368 284 E CB -0.411 29.316 29.700 0.045 0.000 1.229 284 E HN 0.634 nan 8.360 nan 0.000 0.494 285 T N 0.781 115.400 114.554 0.108 0.000 2.861 285 T HA 0.391 4.757 4.350 0.027 0.000 0.287 285 T C -2.639 172.143 174.700 0.136 0.000 1.003 285 T CA -2.101 60.024 62.100 0.042 0.000 0.977 285 T CB 2.108 70.862 68.868 -0.191 0.000 0.996 285 T HN -0.010 nan 8.240 nan 0.000 0.448 286 P HA 0.122 nan 4.420 nan 0.000 0.267 286 P C 1.290 178.697 177.300 0.179 0.000 1.209 286 P CA -0.443 62.721 63.100 0.107 0.000 0.763 286 P CB 0.175 31.913 31.700 0.064 0.000 0.816 287 I N 3.277 123.990 120.570 0.238 0.000 2.290 287 I HA -0.347 3.840 4.170 0.027 0.000 0.253 287 I C 1.902 178.155 176.117 0.227 0.000 1.112 287 I CA 1.985 63.474 61.300 0.315 0.000 1.377 287 I CB -1.365 36.696 38.000 0.102 0.000 1.060 287 I HN 0.269 nan 8.210 nan 0.000 0.428 288 K N 0.646 121.085 120.400 0.065 0.000 2.360 288 K HA -0.117 4.219 4.320 0.027 0.000 0.201 288 K C 1.229 177.790 176.600 -0.065 0.000 1.046 288 K CA 1.743 57.991 56.287 -0.064 0.000 0.945 288 K CB -0.590 31.820 32.500 -0.149 0.000 0.750 288 K HN 0.352 nan 8.250 nan 0.000 0.464 289 N N -0.105 118.583 118.700 -0.019 0.000 2.398 289 N HA 0.097 4.854 4.740 0.027 0.000 0.188 289 N C -0.915 174.460 175.510 -0.226 0.000 1.122 289 N CA 0.159 53.130 53.050 -0.131 0.000 0.866 289 N CB 0.098 38.484 38.487 -0.167 0.000 0.970 289 N HN 0.103 nan 8.380 nan 0.000 0.462 290 F N 1.244 121.155 119.950 -0.065 0.000 2.420 290 F HA 0.199 4.743 4.527 0.028 0.000 0.352 290 F C 1.775 177.497 175.800 -0.131 0.000 1.108 290 F CA -0.548 57.424 58.000 -0.047 0.000 1.162 290 F CB 1.160 40.182 39.000 0.037 0.000 1.118 290 F HN -0.153 nan 8.300 nan 0.000 0.510 291 Q N 3.324 123.022 119.800 -0.170 0.000 2.152 291 Q HA -0.279 4.077 4.340 0.027 0.000 0.206 291 Q C 2.185 178.071 176.000 -0.190 0.000 0.985 291 Q CA 1.568 57.078 55.803 -0.489 0.000 0.863 291 Q CB -0.408 27.384 28.738 -1.576 0.000 0.904 291 Q HN 0.878 nan 8.270 nan 0.000 0.422 292 W N 0.685 121.943 121.300 -0.069 0.000 2.402 292 W HA -0.138 4.539 4.660 0.027 0.000 0.286 292 W C 1.593 178.150 176.519 0.063 0.000 1.221 292 W CA 1.166 58.551 57.345 0.067 0.000 1.257 292 W CB 0.251 29.781 29.460 0.117 0.000 1.120 292 W HN -0.056 nan 8.180 nan 0.000 0.551 293 V N 1.530 121.453 119.914 0.016 0.000 2.427 293 V HA -0.255 3.882 4.120 0.027 0.000 0.248 293 V C 2.445 178.430 176.094 -0.182 0.000 1.051 293 V CA 1.846 64.094 62.300 -0.086 0.000 1.048 293 V CB -0.809 31.025 31.823 0.018 0.000 0.666 293 V HN 0.121 nan 8.190 nan 0.000 0.456 294 R N -0.118 120.285 120.500 -0.162 0.000 2.090 294 R HA -0.145 4.212 4.340 0.027 0.000 0.228 294 R C 2.323 178.528 176.300 -0.158 0.000 1.110 294 R CA 1.670 57.669 56.100 -0.169 0.000 0.973 294 R CB -0.514 29.692 30.300 -0.158 0.000 0.869 294 R HN 0.715 nan 8.270 nan 0.000 0.440 295 H N -0.011 118.880 119.070 -0.297 0.000 2.470 295 H HA 0.009 4.581 4.556 0.027 0.000 0.289 295 H C 1.814 176.913 175.328 -0.382 0.000 1.033 295 H CA 1.176 57.035 56.048 -0.315 0.000 1.331 295 H CB -0.143 29.413 29.762 -0.344 0.000 1.414 295 H HN 0.083 nan 8.280 nan 0.000 0.545 296 C N 0.275 119.166 119.300 -0.682 0.000 2.462 296 C HA -0.054 4.422 4.460 0.027 0.000 0.278 296 C C 2.808 177.583 174.990 -0.359 0.000 1.253 296 C CA 0.973 59.632 59.018 -0.598 0.000 1.713 296 C CB -1.048 26.416 27.740 -0.459 0.000 2.049 296 C HN 0.602 nan 8.230 nan 0.000 0.477 297 L N 0.592 121.659 121.223 -0.261 0.000 2.079 297 L HA -0.180 4.177 4.340 0.027 0.000 0.210 297 L C 2.715 179.500 176.870 -0.141 0.000 1.081 297 L CA 1.456 56.192 54.840 -0.174 0.000 0.752 297 L CB -0.831 41.125 42.059 -0.172 0.000 0.896 297 L HN 0.351 nan 8.230 nan 0.000 0.433 298 K N 0.489 120.798 120.400 -0.152 0.000 1.984 298 K HA -0.106 4.230 4.320 0.027 0.000 0.209 298 K C 1.546 178.066 176.600 -0.133 0.000 1.046 298 K CA 1.373 57.602 56.287 -0.096 0.000 0.934 298 K CB -0.129 32.335 32.500 -0.059 0.000 0.717 298 K HN 0.381 nan 8.250 nan 0.000 0.438 299 N N 0.226 118.790 118.700 -0.226 0.000 2.449 299 N HA -0.018 4.739 4.740 0.027 0.000 0.191 299 N C 0.265 175.684 175.510 -0.152 0.000 1.161 299 N CA 0.782 53.716 53.050 -0.195 0.000 0.863 299 N CB 0.530 38.874 38.487 -0.238 0.000 0.980 299 N HN 0.385 nan 8.380 nan 0.000 0.458 300 G N 1.662 110.380 108.800 -0.137 0.000 2.324 300 G HA2 -0.252 3.725 3.960 0.027 0.000 0.292 300 G HA3 -0.252 3.725 3.960 0.027 0.000 0.292 300 G C -0.547 174.305 174.900 -0.080 0.000 1.079 300 G CA 0.013 45.062 45.100 -0.085 0.000 1.026 300 G HN 0.432 nan 8.290 nan 0.000 0.506 301 E N 0.215 120.343 120.200 -0.119 0.000 2.293 301 E HA 0.345 4.711 4.350 0.027 0.000 0.270 301 E C 0.106 176.689 176.600 -0.028 0.000 0.879 301 E CA -0.985 55.362 56.400 -0.088 0.000 0.756 301 E CB 1.501 31.102 29.700 -0.166 0.000 1.208 301 E HN 0.612 nan 8.360 nan 0.000 0.428 302 E N 2.755 123.001 120.200 0.077 0.000 2.376 302 E HA 0.134 4.501 4.350 0.027 0.000 0.266 302 E C -0.282 176.499 176.600 0.302 0.000 1.009 302 E CA -0.001 56.522 56.400 0.204 0.000 0.902 302 E CB 0.514 30.428 29.700 0.357 0.000 0.972 302 E HN 0.354 nan 8.360 nan 0.000 0.439 303 I N 3.461 124.147 120.570 0.194 0.000 2.347 303 I HA 0.053 4.239 4.170 0.027 0.000 0.294 303 I C -0.343 175.857 176.117 0.139 0.000 1.090 303 I CA -0.227 61.190 61.300 0.195 0.000 1.314 303 I CB -0.174 37.885 38.000 0.099 0.000 1.423 303 I HN 0.402 nan 8.210 nan 0.000 0.503 304 H N 4.983 124.108 119.070 0.092 0.000 2.581 304 H HA 0.516 5.089 4.556 0.027 0.000 0.308 304 H C -0.566 174.662 175.328 -0.168 0.000 1.040 304 H CA -0.411 55.585 56.048 -0.088 0.000 1.231 304 H CB 1.129 30.783 29.762 -0.181 0.000 1.396 304 H HN 0.250 nan 8.280 nan 0.000 0.467 305 V N 3.958 123.780 119.914 -0.153 0.000 2.667 305 V HA 0.303 4.440 4.120 0.027 0.000 0.308 305 V C -0.442 175.554 176.094 -0.163 0.000 1.048 305 V CA -0.899 61.309 62.300 -0.153 0.000 0.928 305 V CB 2.391 34.140 31.823 -0.122 0.000 1.004 305 V HN 0.470 nan 8.190 nan 0.000 0.444 306 V N 6.308 126.135 119.914 -0.146 0.000 2.350 306 V HA 0.504 4.641 4.120 0.027 0.000 0.285 306 V C -0.259 175.781 176.094 -0.090 0.000 1.014 306 V CA -0.526 61.725 62.300 -0.082 0.000 0.831 306 V CB 1.321 33.102 31.823 -0.070 0.000 1.000 306 V HN 0.804 nan 8.190 nan 0.000 0.433 307 L N 7.735 128.903 121.223 -0.091 0.000 2.490 307 L HA 0.411 4.767 4.340 0.027 0.000 0.274 307 L C -0.188 176.606 176.870 -0.127 0.000 1.201 307 L CA 0.914 55.688 54.840 -0.111 0.000 0.869 307 L CB 0.372 42.342 42.059 -0.149 0.000 1.123 307 L HN 0.971 nan 8.230 nan 0.000 0.484 308 D N 1.095 121.445 120.400 -0.083 0.000 2.792 308 D HA 0.169 4.825 4.640 0.027 0.000 0.335 308 D C -1.130 175.226 176.300 0.092 0.000 1.353 308 D CA -0.636 53.326 54.000 -0.063 0.000 0.839 308 D CB 0.807 41.593 40.800 -0.023 0.000 1.396 308 D HN 0.340 nan 8.370 nan 0.000 0.479 309 T N 1.101 115.731 114.554 0.127 0.000 2.884 309 T HA 0.533 4.900 4.350 0.027 0.000 0.298 309 T C -2.311 172.463 174.700 0.123 0.000 0.998 309 T CA -0.644 61.574 62.100 0.197 0.000 1.124 309 T CB 0.680 69.642 68.868 0.158 0.000 0.931 309 T HN 0.221 nan 8.240 nan 0.000 0.531 310 P HA 0.218 nan 4.420 nan 0.000 0.271 310 P C -2.144 175.119 177.300 -0.061 0.000 1.216 310 P CA -1.266 61.801 63.100 -0.056 0.000 0.776 310 P CB -0.429 31.227 31.700 -0.073 0.000 0.881 311 P HA 0.016 nan 4.420 nan 0.000 0.269 311 P C -0.515 176.751 177.300 -0.056 0.000 1.217 311 P CA 0.157 63.215 63.100 -0.070 0.000 0.783 311 P CB 0.438 32.082 31.700 -0.094 0.000 0.898 312 D N 1.534 121.919 120.400 -0.025 0.000 2.336 312 D HA 0.147 4.803 4.640 0.027 0.000 0.249 312 D C -1.519 174.776 176.300 -0.010 0.000 1.213 312 D CA -2.209 51.782 54.000 -0.016 0.000 0.870 312 D CB 0.395 41.191 40.800 -0.007 0.000 1.076 312 D HN 0.051 nan 8.370 nan 0.000 0.483 313 P HA -0.207 nan 4.420 nan 0.000 0.217 313 P C 0.974 178.291 177.300 0.027 0.000 1.151 313 P CA 1.549 64.663 63.100 0.023 0.000 0.849 313 P CB 0.096 31.809 31.700 0.022 0.000 0.787 314 A N -1.355 121.470 122.820 0.008 0.000 2.194 314 A HA -0.180 4.157 4.320 0.027 0.000 0.220 314 A C 2.081 179.666 177.584 0.001 0.000 1.162 314 A CA 1.229 53.267 52.037 0.001 0.000 0.674 314 A CB -1.624 17.372 19.000 -0.007 0.000 0.789 314 A HN 0.188 nan 8.150 nan 0.000 0.470 315 L N -0.776 120.450 121.223 0.006 0.000 2.240 315 L HA -0.097 4.259 4.340 0.027 0.000 0.211 315 L C 1.813 178.695 176.870 0.020 0.000 1.106 315 L CA 0.925 55.768 54.840 0.004 0.000 0.793 315 L CB -0.232 41.827 42.059 -0.000 0.000 0.927 315 L HN 0.363 nan 8.230 nan 0.000 0.446 316 D N -0.056 120.374 120.400 0.050 0.000 2.083 316 D HA -0.156 4.501 4.640 0.027 0.000 0.225 316 D C 0.563 176.894 176.300 0.052 0.000 0.974 316 D CA 0.327 54.385 54.000 0.098 0.000 0.906 316 D CB -0.436 40.498 40.800 0.223 0.000 1.028 316 D HN 0.117 nan 8.370 nan 0.000 0.446 317 E N 0.313 120.531 120.200 0.030 0.000 4.020 317 E HA -0.214 4.152 4.350 0.027 0.000 0.395 317 E C -1.034 175.552 176.600 -0.022 0.000 0.494 317 E CA -0.127 56.268 56.400 -0.009 0.000 1.214 317 E CB 0.196 29.886 29.700 -0.016 0.000 0.554 317 E HN -0.061 nan 8.360 nan 0.000 0.366 318 V N 4.756 124.648 119.914 -0.037 0.000 2.644 318 V HA 0.319 4.455 4.120 0.027 0.000 0.295 318 V C 0.905 176.957 176.094 -0.071 0.000 1.053 318 V CA 0.143 62.417 62.300 -0.042 0.000 0.987 318 V CB 1.263 33.065 31.823 -0.036 0.000 1.006 318 V HN 0.684 nan 8.190 nan 0.000 0.472 319 R N 2.278 122.707 120.500 -0.119 0.000 2.296 319 R HA 0.260 4.616 4.340 0.027 0.000 0.323 319 R C -0.221 176.007 176.300 -0.118 0.000 1.067 319 R CA -0.720 55.270 56.100 -0.184 0.000 0.946 319 R CB 0.174 30.234 30.300 -0.400 0.000 0.991 319 R HN 0.671 nan 8.270 nan 0.000 0.448 320 K N 2.359 122.706 120.400 -0.088 0.000 2.616 320 K HA -0.174 4.162 4.320 0.027 0.000 0.276 320 K C -0.479 176.102 176.600 -0.033 0.000 0.979 320 K CA 1.006 57.261 56.287 -0.053 0.000 1.055 320 K CB 0.077 32.547 32.500 -0.050 0.000 0.826 320 K HN 0.734 nan 8.250 nan 0.000 0.490 321 E N 0.656 120.847 120.200 -0.015 0.000 2.459 321 E HA 0.337 4.704 4.350 0.027 0.000 0.275 321 E C -0.784 175.814 176.600 -0.003 0.000 0.987 321 E CA -0.981 55.419 56.400 0.000 0.000 0.828 321 E CB 1.812 31.518 29.700 0.010 0.000 1.428 321 E HN 0.640 nan 8.360 nan 0.000 0.457 353 S N 0.324 116.021 115.700 -0.004 0.000 3.566 353 S HA -0.092 4.394 4.470 0.027 0.000 0.426 353 S C 0.852 175.445 174.600 -0.013 0.000 1.154 353 S CA 1.025 59.192 58.200 -0.055 0.000 0.946 353 S CB -0.271 62.908 63.200 -0.034 0.000 0.666 353 S HN 0.669 nan 8.310 nan 0.000 0.494 354 L N 6.153 127.325 121.223 -0.084 0.000 2.291 354 L HA 0.106 4.462 4.340 0.027 0.000 0.214 354 L C 1.056 178.071 176.870 0.242 0.000 1.120 354 L CA 1.083 55.944 54.840 0.034 0.000 0.799 354 L CB -0.045 42.016 42.059 0.004 0.000 0.925 354 L HN 0.796 nan 8.230 nan 0.000 0.446 355 W N -0.519 120.795 121.300 0.023 0.000 3.388 355 W HA 0.177 4.855 4.660 0.030 0.000 0.324 355 W C 0.837 177.366 176.519 0.016 0.000 1.250 355 W CA -0.394 56.960 57.345 0.014 0.000 1.809 355 W CB -0.298 29.168 29.460 0.009 0.000 1.083 355 W HN 0.185 nan 8.180 nan 0.000 0.685 356 D N -1.408 119.122 120.400 0.217 0.000 2.469 356 D HA 0.101 4.758 4.640 0.027 0.000 0.215 356 D C -0.170 176.191 176.300 0.102 0.000 1.154 356 D CA 0.293 54.377 54.000 0.139 0.000 0.832 356 D CB 0.652 41.523 40.800 0.118 0.000 1.008 356 D HN -0.176 nan 8.370 nan 0.000 0.506 357 C N 1.253 120.612 119.300 0.098 0.000 2.381 357 C HA 0.225 4.701 4.460 0.027 0.000 0.328 357 C C 0.232 175.259 174.990 0.063 0.000 1.190 357 C CA -0.648 58.409 59.018 0.064 0.000 1.369 357 C CB 0.690 28.451 27.740 0.036 0.000 2.029 357 C HN 0.068 nan 8.230 nan 0.000 0.448 358 D N 1.756 122.184 120.400 0.045 0.000 2.319 358 D HA 0.077 4.733 4.640 0.027 0.000 0.230 358 D C 0.845 177.162 176.300 0.030 0.000 1.094 358 D CA 0.254 54.276 54.000 0.036 0.000 0.856 358 D CB 0.004 40.817 40.800 0.023 0.000 0.915 358 D HN 0.461 nan 8.370 nan 0.000 0.517 359 R N 0.971 121.486 120.500 0.026 0.000 2.590 359 R HA 0.119 4.475 4.340 0.027 0.000 0.274 359 R C 0.037 176.362 176.300 0.042 0.000 1.061 359 R CA -0.320 55.785 56.100 0.009 0.000 1.081 359 R CB 0.471 30.757 30.300 -0.024 0.000 0.984 359 R HN -0.269 nan 8.270 nan 0.000 0.448 360 K N 3.386 123.805 120.400 0.031 0.000 2.379 360 K HA 0.005 4.341 4.320 0.027 0.000 0.284 360 K C -0.643 176.022 176.600 0.108 0.000 1.044 360 K CA 0.123 56.460 56.287 0.083 0.000 0.974 360 K CB 0.125 32.654 32.500 0.049 0.000 0.962 360 K HN 0.361 nan 8.250 nan 0.000 0.474 361 F N 4.348 124.356 119.950 0.098 0.000 2.563 361 F HA 0.127 4.671 4.527 0.028 0.000 0.363 361 F C 0.489 176.437 175.800 0.247 0.000 1.123 361 F CA 0.243 58.330 58.000 0.144 0.000 1.307 361 F CB 0.510 39.590 39.000 0.134 0.000 1.115 361 F HN 0.590 nan 8.300 nan 0.000 0.592 362 R N 4.308 124.367 120.500 -0.735 0.000 2.740 362 R HA 0.798 5.155 4.340 0.027 0.000 0.273 362 R C -2.351 173.720 176.300 -0.382 0.000 0.998 362 R CA -1.229 54.662 56.100 -0.348 0.000 0.900 362 R CB 1.747 31.913 30.300 -0.224 0.000 1.223 362 R HN 0.574 nan 8.270 nan 0.000 0.466 363 V N 1.418 121.394 119.914 0.104 0.000 2.638 363 V HA 0.436 4.572 4.120 0.027 0.000 0.306 363 V C -1.031 175.146 176.094 0.139 0.000 1.052 363 V CA -0.906 61.520 62.300 0.211 0.000 0.885 363 V CB 2.007 34.036 31.823 0.343 0.000 0.999 363 V HN 0.821 nan 8.190 nan 0.000 0.424 364 K N 6.819 127.120 120.400 -0.164 0.000 2.267 364 K HA 0.450 4.786 4.320 0.027 0.000 0.282 364 K C -0.579 175.830 176.600 -0.318 0.000 1.078 364 K CA -0.637 55.250 56.287 -0.666 0.000 0.903 364 K CB 0.646 32.270 32.500 -1.460 0.000 1.111 364 K HN 0.595 nan 8.250 nan 0.000 0.475 365 I N 6.915 127.345 120.570 -0.234 0.000 2.241 365 I HA 0.090 4.276 4.170 0.027 0.000 0.294 365 I C 1.380 177.459 176.117 -0.063 0.000 1.145 365 I CA -0.011 61.205 61.300 -0.141 0.000 1.261 365 I CB -0.002 37.870 38.000 -0.213 0.000 1.475 365 I HN 0.700 nan 8.210 nan 0.000 0.533 366 R N 3.462 123.919 120.500 -0.071 0.000 2.094 366 R HA -0.022 4.334 4.340 0.027 0.000 0.239 366 R C 1.010 177.374 176.300 0.107 0.000 1.137 366 R CA 1.074 57.159 56.100 -0.025 0.000 0.943 366 R CB -0.098 30.171 30.300 -0.053 0.000 0.850 366 R HN 0.714 nan 8.270 nan 0.000 0.433 367 G N -0.095 108.797 108.800 0.153 0.000 2.336 367 G HA2 0.302 4.279 3.960 0.027 0.000 0.300 367 G HA3 0.302 4.279 3.960 0.027 0.000 0.300 367 G C -1.124 173.889 174.900 0.188 0.000 1.375 367 G CA -0.516 44.761 45.100 0.295 0.000 0.885 367 G HN 0.227 nan 8.290 nan 0.000 0.599 368 I N -2.295 118.416 120.570 0.236 0.000 3.217 368 I HA 1.009 5.195 4.170 0.027 0.000 0.308 368 I C -1.242 174.909 176.117 0.057 0.000 1.091 368 I CA -0.954 60.419 61.300 0.122 0.000 1.013 368 I CB 2.682 40.786 38.000 0.174 0.000 1.250 368 I HN 0.727 nan 8.210 nan 0.000 0.496 369 D N 2.049 122.454 120.400 0.008 0.000 2.474 369 D HA 0.204 4.860 4.640 0.027 0.000 0.199 369 D C -1.660 174.610 176.300 -0.050 0.000 1.151 369 D CA -0.289 53.703 54.000 -0.013 0.000 0.785 369 D CB 1.114 41.897 40.800 -0.028 0.000 2.567 369 D HN 0.643 nan 8.370 nan 0.000 0.491 370 I N 3.210 123.751 120.570 -0.050 0.000 2.382 370 I HA 0.237 4.423 4.170 0.027 0.000 0.285 370 I C -1.535 174.542 176.117 -0.066 0.000 1.007 370 I CA -2.493 58.762 61.300 -0.074 0.000 1.142 370 I CB 1.887 39.840 38.000 -0.078 0.000 1.289 370 I HN 0.145 nan 8.210 nan 0.000 0.453 371 P HA -0.189 nan 4.420 nan 0.000 0.223 371 P C 0.104 177.376 177.300 -0.046 0.000 1.153 371 P CA 1.251 64.330 63.100 -0.035 0.000 0.853 371 P CB 0.269 31.957 31.700 -0.019 0.000 0.777 372 V N -2.279 117.602 119.914 -0.054 0.000 2.881 372 V HA 0.229 4.365 4.120 0.027 0.000 0.275 372 V C -0.580 175.472 176.094 -0.070 0.000 1.518 372 V CA -1.199 61.061 62.300 -0.067 0.000 0.936 372 V CB 1.216 33.014 31.823 -0.043 0.000 1.165 372 V HN -0.060 nan 8.190 nan 0.000 0.447 380 T N 0.329 114.987 114.554 0.174 0.000 2.829 380 T HA 0.800 5.167 4.350 0.027 0.000 0.280 380 T C -1.446 173.313 174.700 0.098 0.000 0.999 380 T CA -0.411 61.783 62.100 0.158 0.000 0.983 380 T CB 1.212 70.175 68.868 0.158 0.000 0.968 380 T HN 0.384 nan 8.240 nan 0.000 0.446 381 V N 6.737 126.724 119.914 0.122 0.000 2.733 381 V HA 0.816 4.953 4.120 0.027 0.000 0.306 381 V C -1.340 174.963 176.094 0.348 0.000 1.084 381 V CA -0.858 61.444 62.300 0.005 0.000 0.905 381 V CB 1.561 33.160 31.823 -0.374 0.000 1.010 381 V HN 0.918 nan 8.190 nan 0.000 0.424 382 F N 4.406 124.474 119.950 0.197 0.000 2.599 382 F HA 0.890 5.433 4.527 0.027 0.000 0.311 382 F C -0.936 174.878 175.800 0.024 0.000 1.076 382 F CA -1.225 56.882 58.000 0.178 0.000 0.937 382 F CB 1.472 40.543 39.000 0.118 0.000 1.282 382 F HN 0.197 nan 8.300 nan 0.000 0.460 383 V N 1.597 121.465 119.914 -0.076 0.000 2.546 383 V HA 0.337 4.473 4.120 0.027 0.000 0.284 383 V C -0.317 175.861 176.094 0.139 0.000 1.050 383 V CA -0.472 61.760 62.300 -0.113 0.000 0.981 383 V CB 1.287 32.887 31.823 -0.372 0.000 0.990 383 V HN 0.894 nan 8.190 nan 0.000 0.474 384 E N 2.702 123.025 120.200 0.206 0.000 2.187 384 E HA 0.708 5.074 4.350 0.027 0.000 0.268 384 E C -0.899 175.820 176.600 0.198 0.000 0.896 384 E CA -0.724 55.844 56.400 0.280 0.000 0.766 384 E CB 1.800 31.776 29.700 0.461 0.000 1.142 384 E HN 0.837 nan 8.360 nan 0.000 0.408 385 A N 4.801 127.749 122.820 0.213 0.000 2.318 385 A HA 0.560 4.896 4.320 0.027 0.000 0.317 385 A C -1.008 176.773 177.584 0.328 0.000 1.159 385 A CA -0.832 51.376 52.037 0.285 0.000 0.799 385 A CB 0.936 20.178 19.000 0.404 0.000 1.194 385 A HN 0.677 nan 8.150 nan 0.000 0.479 386 N N 1.926 120.727 118.700 0.168 0.000 2.258 386 N HA 0.423 5.179 4.740 0.027 0.000 0.299 386 N C -1.243 174.186 175.510 -0.136 0.000 1.047 386 N CA -0.362 52.715 53.050 0.045 0.000 0.814 386 N CB 2.015 40.535 38.487 0.055 0.000 1.413 386 N HN 0.548 nan 8.380 nan 0.000 0.478 387 I N 2.398 122.803 120.570 -0.275 0.000 2.307 387 I HA 0.193 4.379 4.170 0.027 0.000 0.287 387 I C 0.217 176.227 176.117 -0.179 0.000 1.054 387 I CA -0.275 60.812 61.300 -0.355 0.000 1.218 387 I CB 0.541 38.185 38.000 -0.593 0.000 1.398 387 I HN 0.232 nan 8.210 nan 0.000 0.475 388 Q N 4.799 124.523 119.800 -0.126 0.000 2.241 388 Q HA 0.519 4.876 4.340 0.027 0.000 0.262 388 Q C -0.623 175.363 176.000 -0.023 0.000 1.014 388 Q CA -0.761 55.004 55.803 -0.063 0.000 0.885 388 Q CB 2.854 31.553 28.738 -0.064 0.000 1.311 388 Q HN 0.470 nan 8.270 nan 0.000 0.461 389 H N -0.773 118.224 119.070 -0.122 0.000 3.179 389 H HA 0.188 4.760 4.556 0.027 0.000 0.331 389 H C -0.168 175.048 175.328 -0.186 0.000 1.013 389 H CA 0.545 56.500 56.048 -0.156 0.000 1.430 389 H CB 1.369 31.057 29.762 -0.123 0.000 1.895 389 H HN 0.910 nan 8.280 nan 0.000 0.468 390 G N 4.167 112.737 108.800 -0.385 0.000 2.395 390 G HA2 -0.361 3.615 3.960 0.027 0.000 0.300 390 G HA3 -0.361 3.615 3.960 0.027 0.000 0.300 390 G C 0.551 175.323 174.900 -0.213 0.000 0.998 390 G CA 1.632 46.538 45.100 -0.323 0.000 1.046 390 G HN 0.932 nan 8.290 nan 0.000 0.513 391 Q N -2.643 117.068 119.800 -0.149 0.000 2.374 391 Q HA -0.239 4.118 4.340 0.027 0.000 0.218 391 Q C 0.530 176.492 176.000 -0.064 0.000 0.691 391 Q CA 2.201 57.941 55.803 -0.105 0.000 1.340 391 Q CB -1.135 27.522 28.738 -0.134 0.000 1.498 391 Q HN 0.904 nan 8.270 nan 0.000 0.739 392 Q N 0.160 119.938 119.800 -0.037 0.000 2.278 392 Q HA 0.504 4.861 4.340 0.027 0.000 0.257 392 Q C -1.053 174.950 176.000 0.006 0.000 0.928 392 Q CA -0.452 55.354 55.803 0.005 0.000 0.932 392 Q CB 1.339 30.118 28.738 0.068 0.000 1.221 392 Q HN 0.139 nan 8.270 nan 0.000 0.434 393 V N 6.491 126.406 119.914 0.001 0.000 2.385 393 V HA 0.062 4.198 4.120 0.027 0.000 0.269 393 V C 1.039 177.128 176.094 -0.007 0.000 1.043 393 V CA 0.060 62.358 62.300 -0.004 0.000 0.906 393 V CB 0.861 32.690 31.823 0.010 0.000 0.995 393 V HN 0.879 nan 8.190 nan 0.000 0.467 394 L N 3.155 124.361 121.223 -0.029 0.000 2.341 394 L HA 0.199 4.555 4.340 0.027 0.000 0.214 394 L C 0.790 177.644 176.870 -0.027 0.000 1.115 394 L CA 0.809 55.626 54.840 -0.039 0.000 0.820 394 L CB 0.178 42.197 42.059 -0.068 0.000 0.944 394 L HN 0.669 nan 8.230 nan 0.000 0.452 395 C N -0.879 118.409 119.300 -0.021 0.000 3.284 395 C HA 0.466 4.943 4.460 0.027 0.000 0.338 395 C C -1.321 173.760 174.990 0.151 0.000 1.237 395 C CA -0.627 58.437 59.018 0.076 0.000 1.276 395 C CB 1.943 29.766 27.740 0.139 0.000 1.601 395 C HN 0.335 nan 8.230 nan 0.000 0.494 396 Q N 2.923 122.854 119.800 0.219 0.000 2.305 396 Q HA 0.788 5.144 4.340 0.027 0.000 0.271 396 Q C -0.957 175.161 176.000 0.198 0.000 1.046 396 Q CA -0.494 55.440 55.803 0.218 0.000 0.798 396 Q CB 1.312 30.118 28.738 0.114 0.000 1.286 396 Q HN 0.666 nan 8.270 nan 0.000 0.435 397 R N 1.802 122.418 120.500 0.193 0.000 2.799 397 R HA 0.658 5.015 4.340 0.027 0.000 0.270 397 R C -0.905 175.404 176.300 0.014 0.000 1.010 397 R CA -0.695 55.408 56.100 0.006 0.000 0.916 397 R CB 2.027 32.172 30.300 -0.258 0.000 1.228 397 R HN 0.735 nan 8.270 nan 0.000 0.469 398 R N -0.920 119.543 120.500 -0.062 0.000 2.870 398 R HA 0.560 4.917 4.340 0.027 0.000 0.262 398 R C -0.516 175.699 176.300 -0.141 0.000 1.112 398 R CA -0.726 55.340 56.100 -0.057 0.000 0.976 398 R CB 2.024 32.250 30.300 -0.124 0.000 1.261 398 R HN 0.814 nan 8.270 nan 0.000 0.453 399 T N -1.948 112.506 114.554 -0.167 0.000 2.910 399 T HA 0.430 4.796 4.350 0.027 0.000 0.287 399 T C -0.125 174.562 174.700 -0.023 0.000 1.050 399 T CA -0.876 61.074 62.100 -0.250 0.000 1.011 399 T CB 1.485 69.819 68.868 -0.890 0.000 1.195 399 T HN 0.545 nan 8.240 nan 0.000 0.540 400 S N 0.911 116.726 115.700 0.191 0.000 2.528 400 S HA 0.396 4.882 4.470 0.027 0.000 0.277 400 S C -2.745 172.092 174.600 0.395 0.000 1.297 400 S CA -1.173 57.167 58.200 0.234 0.000 1.052 400 S CB -0.247 63.085 63.200 0.220 0.000 0.917 400 S HN 0.602 nan 8.310 nan 0.000 0.492 401 P HA 0.242 nan 4.420 nan 0.000 0.259 401 P C -0.350 177.090 177.300 0.235 0.000 1.211 401 P CA 0.094 63.376 63.100 0.303 0.000 0.810 401 P CB 0.161 31.970 31.700 0.181 0.000 0.815 402 K N 5.415 125.959 120.400 0.239 0.000 2.168 402 K HA 0.581 4.918 4.320 0.027 0.000 0.239 402 K C -2.485 174.145 176.600 0.050 0.000 0.999 402 K CA -2.417 53.883 56.287 0.022 0.000 0.900 402 K CB 0.139 32.455 32.500 -0.306 0.000 1.111 402 K HN 0.142 nan 8.250 nan 0.000 0.452 403 P HA 0.095 nan 4.420 nan 0.000 0.280 403 P C -0.942 176.441 177.300 0.139 0.000 1.244 403 P CA -0.310 62.833 63.100 0.072 0.000 0.784 403 P CB 0.261 31.977 31.700 0.027 0.000 0.913 404 F N 4.481 124.433 119.950 0.003 0.000 2.556 404 F HA 0.147 4.691 4.527 0.028 0.000 0.344 404 F C 0.235 176.025 175.800 -0.017 0.000 1.255 404 F CA -0.150 57.852 58.000 0.003 0.000 1.091 404 F CB -1.072 37.950 39.000 0.037 0.000 1.325 404 F HN 0.158 nan 8.300 nan 0.000 0.627 405 T N 2.001 116.566 114.554 0.018 0.000 2.888 405 T HA 0.276 4.642 4.350 0.027 0.000 0.284 405 T C 0.962 175.551 174.700 -0.184 0.000 1.017 405 T CA -0.867 61.153 62.100 -0.133 0.000 1.022 405 T CB 1.555 70.378 68.868 -0.075 0.000 1.013 405 T HN 0.443 nan 8.240 nan 0.000 0.465 406 E N 0.683 120.748 120.200 -0.225 0.000 2.401 406 E HA -0.184 4.183 4.350 0.027 0.000 0.204 406 E C 0.397 176.942 176.600 -0.092 0.000 1.036 406 E CA 1.108 57.398 56.400 -0.183 0.000 0.856 406 E CB 0.160 29.772 29.700 -0.145 0.000 0.770 406 E HN 0.806 nan 8.360 nan 0.000 0.527 407 E N 0.164 120.323 120.200 -0.069 0.000 2.281 407 E HA 0.326 4.693 4.350 0.027 0.000 0.266 407 E C -1.758 174.805 176.600 -0.062 0.000 0.893 407 E CA -0.329 56.042 56.400 -0.048 0.000 0.798 407 E CB 2.035 31.703 29.700 -0.054 0.000 1.245 407 E HN -0.196 nan 8.360 nan 0.000 0.410 408 V N 6.152 126.028 119.914 -0.063 0.000 2.447 408 V HA 0.405 4.541 4.120 0.027 0.000 0.292 408 V C -0.222 175.710 176.094 -0.270 0.000 1.021 408 V CA -0.630 61.545 62.300 -0.209 0.000 0.850 408 V CB 1.155 32.852 31.823 -0.210 0.000 1.005 408 V HN 0.555 nan 8.190 nan 0.000 0.426 409 L N 2.923 123.957 121.223 -0.316 0.000 2.330 409 L HA 0.600 4.956 4.340 0.027 0.000 0.271 409 L C 0.298 176.993 176.870 -0.291 0.000 1.013 409 L CA -0.528 54.210 54.840 -0.170 0.000 0.816 409 L CB 2.335 44.351 42.059 -0.072 0.000 1.287 409 L HN 0.593 nan 8.230 nan 0.000 0.435 410 W N -0.008 121.271 121.300 -0.034 0.000 4.011 410 W HA 0.069 4.746 4.660 0.028 0.000 0.213 410 W C 1.004 177.482 176.519 -0.067 0.000 1.060 410 W CA 0.145 57.467 57.345 -0.038 0.000 1.775 410 W CB 0.261 29.701 29.460 -0.033 0.000 0.793 410 W HN 0.810 nan 8.180 nan 0.000 0.863 411 N N 0.530 119.314 118.700 0.140 0.000 2.713 411 N HA -0.199 4.557 4.740 0.027 0.000 0.251 411 N C -0.195 175.249 175.510 -0.111 0.000 1.117 411 N CA 0.956 53.984 53.050 -0.035 0.000 0.770 411 N CB -1.283 37.179 38.487 -0.042 0.000 1.137 411 N HN -0.076 nan 8.380 nan 0.000 0.566 412 V N -3.014 116.885 119.914 -0.025 0.000 2.924 412 V HA 0.376 4.513 4.120 0.027 0.000 0.305 412 V C 0.676 176.671 176.094 -0.165 0.000 1.073 412 V CA -0.358 61.919 62.300 -0.038 0.000 1.098 412 V CB 0.657 32.489 31.823 0.015 0.000 1.000 412 V HN 0.248 nan 8.190 nan 0.000 0.484 413 W N 2.907 124.180 121.300 -0.046 0.000 2.429 413 W HA 0.669 5.345 4.660 0.027 0.000 0.314 413 W C -0.410 176.026 176.519 -0.139 0.000 1.062 413 W CA -0.694 56.600 57.345 -0.085 0.000 1.211 413 W CB 1.632 31.046 29.460 -0.077 0.000 1.305 413 W HN 0.515 nan 8.180 nan 0.000 0.476 414 L N 3.909 125.180 121.223 0.079 0.000 2.283 414 L HA 0.282 4.639 4.340 0.027 0.000 0.281 414 L C 0.186 176.876 176.870 -0.299 0.000 1.033 414 L CA -0.537 54.195 54.840 -0.179 0.000 0.848 414 L CB 0.894 42.767 42.059 -0.310 0.000 1.226 414 L HN 0.411 nan 8.230 nan 0.000 0.429 415 E N 2.665 122.729 120.200 -0.227 0.000 2.289 415 E HA 0.330 4.696 4.350 0.027 0.000 0.278 415 E C -0.936 175.524 176.600 -0.232 0.000 1.032 415 E CA -0.350 55.948 56.400 -0.170 0.000 0.854 415 E CB 0.904 30.551 29.700 -0.089 0.000 1.046 415 E HN 0.247 nan 8.360 nan 0.000 0.409 416 F N 0.661 120.680 119.950 0.115 0.000 2.410 416 F HA 0.136 4.680 4.527 0.027 0.000 0.324 416 F C 1.637 177.488 175.800 0.086 0.000 1.093 416 F CA -0.455 57.624 58.000 0.131 0.000 1.028 416 F CB 1.418 40.556 39.000 0.229 0.000 1.309 416 F HN 0.476 nan 8.300 nan 0.000 0.499 417 S N -0.306 115.563 115.700 0.282 0.000 2.597 417 S HA 0.346 4.832 4.470 0.027 0.000 0.224 417 S C -0.116 174.556 174.600 0.119 0.000 0.955 417 S CA -0.221 58.066 58.200 0.146 0.000 0.933 417 S CB -1.107 62.150 63.200 0.095 0.000 0.788 417 S HN 0.360 nan 8.310 nan 0.000 0.488 418 I N 1.638 122.305 120.570 0.162 0.000 2.392 418 I HA 0.376 4.562 4.170 0.027 0.000 0.295 418 I C 0.112 176.304 176.117 0.126 0.000 0.985 418 I CA -0.785 60.571 61.300 0.093 0.000 1.221 418 I CB 1.248 39.260 38.000 0.020 0.000 1.366 418 I HN -0.134 nan 8.210 nan 0.000 0.467 419 K N 4.685 125.131 120.400 0.076 0.000 2.237 419 K HA 0.286 4.623 4.320 0.027 0.000 0.270 419 K C 0.897 177.563 176.600 0.112 0.000 1.015 419 K CA -0.693 55.646 56.287 0.087 0.000 0.949 419 K CB 1.150 33.678 32.500 0.046 0.000 0.976 419 K HN 0.492 nan 8.250 nan 0.000 0.472 420 I N 2.956 123.615 120.570 0.147 0.000 2.185 420 I HA -0.312 3.875 4.170 0.027 0.000 0.246 420 I C 2.474 178.686 176.117 0.158 0.000 1.088 420 I CA 1.877 63.279 61.300 0.170 0.000 1.347 420 I CB -1.328 36.756 38.000 0.140 0.000 1.041 420 I HN 0.740 nan 8.210 nan 0.000 0.415 421 K N -0.094 120.401 120.400 0.158 0.000 2.555 421 K HA -0.094 4.242 4.320 0.027 0.000 0.193 421 K C 1.393 178.056 176.600 0.105 0.000 1.032 421 K CA 1.275 57.696 56.287 0.224 0.000 1.004 421 K CB -0.546 32.054 32.500 0.167 0.000 0.804 421 K HN 0.399 nan 8.250 nan 0.000 0.496 422 D N -0.703 119.727 120.400 0.049 0.000 2.441 422 D HA 0.166 4.823 4.640 0.027 0.000 0.210 422 D C -0.093 176.202 176.300 -0.008 0.000 1.102 422 D CA -0.160 53.825 54.000 -0.025 0.000 0.840 422 D CB 0.310 41.082 40.800 -0.048 0.000 0.990 422 D HN 0.335 nan 8.370 nan 0.000 0.505 423 L N 3.644 124.886 121.223 0.031 0.000 2.477 423 L HA 0.146 4.503 4.340 0.027 0.000 0.272 423 L C -2.045 174.865 176.870 0.067 0.000 1.157 423 L CA -1.052 53.788 54.840 0.000 0.000 0.889 423 L CB 0.326 42.360 42.059 -0.041 0.000 1.158 423 L HN -0.197 nan 8.230 nan 0.000 0.473 424 P HA 0.174 nan 4.420 nan 0.000 0.286 424 P C -1.000 176.410 177.300 0.182 0.000 1.261 424 P CA -0.885 62.284 63.100 0.115 0.000 0.821 424 P CB 1.073 32.757 31.700 -0.027 0.000 1.013 425 K N 1.010 121.545 120.400 0.226 0.000 2.448 425 K HA 0.281 4.617 4.320 0.027 0.000 0.278 425 K C 1.016 177.746 176.600 0.217 0.000 1.009 425 K CA 1.051 57.456 56.287 0.198 0.000 0.995 425 K CB -0.565 32.033 32.500 0.164 0.000 0.917 425 K HN 0.821 nan 8.250 nan 0.000 0.481 426 G N 1.822 110.714 108.800 0.154 0.000 2.195 426 G HA2 -0.250 3.726 3.960 0.027 0.000 0.224 426 G HA3 -0.250 3.726 3.960 0.027 0.000 0.224 426 G C 0.059 174.874 174.900 -0.142 0.000 0.990 426 G CA -0.027 45.041 45.100 -0.052 0.000 0.639 426 G HN 0.902 nan 8.290 nan 0.000 0.514 427 A N 0.318 123.146 122.820 0.013 0.000 2.477 427 A HA 0.657 4.993 4.320 0.027 0.000 0.246 427 A C 0.308 177.811 177.584 -0.135 0.000 1.078 427 A CA 0.453 52.475 52.037 -0.025 0.000 0.770 427 A CB 0.288 19.269 19.000 -0.031 0.000 1.011 427 A HN 0.919 nan 8.150 nan 0.000 0.494 428 L N 2.516 123.648 121.223 -0.152 0.000 2.341 428 L HA 0.377 4.733 4.340 0.027 0.000 0.278 428 L C -0.465 176.309 176.870 -0.161 0.000 1.005 428 L CA -0.929 53.820 54.840 -0.152 0.000 0.818 428 L CB 1.743 43.729 42.059 -0.121 0.000 1.259 428 L HN 0.696 nan 8.230 nan 0.000 0.418 429 L N 4.733 125.866 121.223 -0.150 0.000 2.313 429 L HA 0.315 4.671 4.340 0.027 0.000 0.282 429 L C -0.128 176.716 176.870 -0.043 0.000 1.092 429 L CA 0.400 55.170 54.840 -0.117 0.000 0.831 429 L CB 0.518 42.547 42.059 -0.051 0.000 1.159 429 L HN 0.603 nan 8.230 nan 0.000 0.442 430 N N 6.328 125.022 118.700 -0.010 0.000 2.446 430 N HA 0.345 5.102 4.740 0.027 0.000 0.265 430 N C -1.657 173.904 175.510 0.086 0.000 0.975 430 N CA -0.482 52.595 53.050 0.045 0.000 0.928 430 N CB 1.026 39.534 38.487 0.034 0.000 1.160 430 N HN 0.664 nan 8.380 nan 0.000 0.495 431 L N 2.531 123.815 121.223 0.101 0.000 2.322 431 L HA 0.470 4.827 4.340 0.027 0.000 0.281 431 L C -0.127 176.807 176.870 0.106 0.000 1.014 431 L CA -0.575 54.322 54.840 0.095 0.000 0.815 431 L CB 1.883 43.977 42.059 0.058 0.000 1.247 431 L HN 0.439 nan 8.230 nan 0.000 0.421 432 Q N 3.382 123.230 119.800 0.081 0.000 2.389 432 Q HA 0.634 4.990 4.340 0.027 0.000 0.277 432 Q C -1.360 174.585 176.000 -0.091 0.000 1.082 432 Q CA -0.692 55.116 55.803 0.007 0.000 0.810 432 Q CB 3.535 32.254 28.738 -0.031 0.000 1.374 432 Q HN 0.504 nan 8.270 nan 0.000 0.422 433 I N 2.110 122.557 120.570 -0.206 0.000 2.389 433 I HA 0.411 4.597 4.170 0.027 0.000 0.288 433 I C -1.088 174.742 176.117 -0.479 0.000 0.999 433 I CA -0.569 60.584 61.300 -0.246 0.000 1.129 433 I CB 0.774 38.723 38.000 -0.085 0.000 1.288 433 I HN 0.545 nan 8.210 nan 0.000 0.444 434 Y N 4.688 124.662 120.300 -0.544 0.000 2.654 434 Y HA 0.747 5.314 4.550 0.027 0.000 0.327 434 Y C 0.464 176.059 175.900 -0.508 0.000 1.122 434 Y CA -0.398 57.367 58.100 -0.558 0.000 1.227 434 Y CB 1.809 39.791 38.460 -0.796 0.000 1.370 434 Y HN 0.766 nan 8.280 nan 0.000 0.528 459 Q N 2.909 122.797 119.800 0.147 0.000 2.372 459 Q HA 0.881 5.238 4.340 0.027 0.000 0.273 459 Q C -1.155 174.883 176.000 0.065 0.000 1.078 459 Q CA -0.831 55.038 55.803 0.111 0.000 0.806 459 Q CB 2.413 31.173 28.738 0.037 0.000 1.332 459 Q HN 1.144 nan 8.270 nan 0.000 0.435 460 L N 1.800 122.988 121.223 -0.058 0.000 2.426 460 L HA 0.447 4.803 4.340 0.027 0.000 0.271 460 L C 0.364 177.068 176.870 -0.276 0.000 1.169 460 L CA 0.393 54.983 54.840 -0.417 0.000 0.836 460 L CB 0.645 42.454 42.059 -0.416 0.000 1.112 460 L HN 0.940 nan 8.230 nan 0.000 0.465 461 L N 3.578 124.620 121.223 -0.302 0.000 2.641 461 L HA 0.321 4.677 4.340 0.027 0.000 0.207 461 L C -0.742 175.824 176.870 -0.506 0.000 1.049 461 L CA -0.268 54.393 54.840 -0.299 0.000 0.866 461 L CB 0.445 42.476 42.059 -0.046 0.000 1.264 461 L HN 0.535 nan 8.230 nan 0.000 0.483 462 Y N -1.662 118.587 120.300 -0.085 0.000 2.571 462 Y HA 0.462 5.028 4.550 0.027 0.000 0.341 462 Y C -0.928 174.996 175.900 0.041 0.000 1.076 462 Y CA -1.225 56.864 58.100 -0.019 0.000 1.029 462 Y CB 1.602 40.024 38.460 -0.063 0.000 1.308 462 Y HN -0.011 nan 8.280 nan 0.000 0.461 463 Y N -0.879 119.522 120.300 0.167 0.000 2.644 463 Y HA 0.931 5.498 4.550 0.028 0.000 0.338 463 Y C -1.831 174.197 175.900 0.214 0.000 1.119 463 Y CA -1.615 56.562 58.100 0.127 0.000 1.060 463 Y CB 1.787 40.298 38.460 0.084 0.000 1.294 463 Y HN 0.591 nan 8.280 nan 0.000 0.472 464 V N 1.626 121.703 119.914 0.272 0.000 3.106 464 V HA 0.406 4.542 4.120 0.027 0.000 0.280 464 V C -2.078 174.140 176.094 0.208 0.000 1.525 464 V CA -0.853 61.571 62.300 0.207 0.000 0.999 464 V CB 2.398 34.240 31.823 0.031 0.000 1.186 464 V HN 1.031 nan 8.190 nan 0.000 0.448 465 N N 3.167 121.977 118.700 0.183 0.000 2.312 465 N HA 0.800 5.556 4.740 0.027 0.000 0.296 465 N C -1.771 173.760 175.510 0.036 0.000 1.193 465 N CA -0.453 52.654 53.050 0.095 0.000 0.773 465 N CB 2.706 41.246 38.487 0.089 0.000 1.435 465 N HN 0.586 nan 8.380 nan 0.000 0.484 466 L N 1.179 122.380 121.223 -0.037 0.000 2.516 466 L HA 0.449 4.806 4.340 0.027 0.000 0.267 466 L C -1.377 175.420 176.870 -0.121 0.000 0.957 466 L CA -0.390 54.392 54.840 -0.097 0.000 0.860 466 L CB 1.385 43.307 42.059 -0.228 0.000 1.265 466 L HN 0.472 nan 8.230 nan 0.000 0.403 467 L N 5.585 126.736 121.223 -0.119 0.000 2.513 467 L HA 0.086 4.443 4.340 0.027 0.000 0.272 467 L C 1.216 178.021 176.870 -0.109 0.000 1.187 467 L CA 0.269 55.018 54.840 -0.153 0.000 0.895 467 L CB 0.587 42.518 42.059 -0.213 0.000 1.147 467 L HN 0.760 nan 8.230 nan 0.000 0.483 468 L N 4.962 126.114 121.223 -0.119 0.000 2.395 468 L HA 0.089 4.446 4.340 0.027 0.000 0.218 468 L C 0.367 177.218 176.870 -0.031 0.000 1.130 468 L CA 0.733 55.511 54.840 -0.104 0.000 0.826 468 L CB -0.026 41.890 42.059 -0.238 0.000 0.941 468 L HN 0.513 nan 8.230 nan 0.000 0.451 469 I N 0.068 120.634 120.570 -0.007 0.000 2.447 469 I HA 0.159 4.345 4.170 0.027 0.000 0.287 469 I C -0.662 175.497 176.117 0.069 0.000 1.023 469 I CA -0.994 60.322 61.300 0.027 0.000 1.083 469 I CB 1.741 39.765 38.000 0.040 0.000 1.245 469 I HN -0.013 nan 8.210 nan 0.000 0.434 470 D N 4.274 124.675 120.400 0.001 0.000 2.447 470 D HA 0.013 4.669 4.640 0.027 0.000 0.265 470 D C 1.371 177.570 176.300 -0.168 0.000 1.250 470 D CA -0.033 53.976 54.000 0.015 0.000 1.046 470 D CB 0.310 41.006 40.800 -0.174 0.000 1.095 470 D HN 0.593 nan 8.370 nan 0.000 0.555 471 H N -0.820 118.124 119.070 -0.210 0.000 2.518 471 H HA 0.007 4.579 4.556 0.027 0.000 0.289 471 H C 0.857 175.830 175.328 -0.591 0.000 1.051 471 H CA 0.835 56.550 56.048 -0.556 0.000 1.280 471 H CB -0.263 29.166 29.762 -0.556 0.000 1.380 471 H HN 0.383 nan 8.280 nan 0.000 0.566 472 R N -0.653 119.459 120.500 -0.647 0.000 2.397 472 R HA 0.123 4.480 4.340 0.027 0.000 0.241 472 R C -0.375 175.986 176.300 0.103 0.000 0.914 472 R CA -0.081 55.867 56.100 -0.254 0.000 1.071 472 R CB 0.362 30.472 30.300 -0.317 0.000 1.116 472 R HN 0.102 nan 8.270 nan 0.000 0.524 473 F N 0.203 120.034 119.950 -0.199 0.000 2.937 473 F HA -0.206 4.337 4.527 0.027 0.000 0.290 473 F C -0.457 175.286 175.800 -0.095 0.000 0.802 473 F CA 0.123 58.052 58.000 -0.120 0.000 1.336 473 F CB -1.802 37.131 39.000 -0.111 0.000 1.438 473 F HN -0.041 nan 8.300 nan 0.000 0.469 474 L N 0.938 122.165 121.223 0.007 0.000 2.307 474 L HA 0.555 4.911 4.340 0.027 0.000 0.284 474 L C 0.332 177.218 176.870 0.027 0.000 1.023 474 L CA -1.285 53.564 54.840 0.015 0.000 0.810 474 L CB 1.366 43.419 42.059 -0.010 0.000 1.231 474 L HN 0.010 nan 8.230 nan 0.000 0.423 475 L N 3.280 124.534 121.223 0.051 0.000 2.525 475 L HA 0.061 4.417 4.340 0.027 0.000 0.278 475 L C 0.607 177.535 176.870 0.097 0.000 1.218 475 L CA 0.401 55.289 54.840 0.080 0.000 0.878 475 L CB 0.249 42.364 42.059 0.093 0.000 1.127 475 L HN 0.525 nan 8.230 nan 0.000 0.492 476 R N 3.811 124.382 120.500 0.118 0.000 2.343 476 R HA 0.504 4.861 4.340 0.027 0.000 0.326 476 R C -0.262 176.166 176.300 0.214 0.000 1.055 476 R CA 0.453 56.637 56.100 0.141 0.000 0.961 476 R CB -0.041 30.293 30.300 0.057 0.000 0.978 476 R HN 0.796 nan 8.270 nan 0.000 0.443 477 R N 2.341 122.973 120.500 0.220 0.000 2.732 477 R HA 0.804 5.161 4.340 0.027 0.000 0.278 477 R C 0.450 176.878 176.300 0.214 0.000 0.976 477 R CA -0.153 56.068 56.100 0.202 0.000 0.963 477 R CB 1.102 31.477 30.300 0.124 0.000 1.150 477 R HN 1.051 nan 8.270 nan 0.000 0.478 478 G N 0.218 109.105 108.800 0.145 0.000 2.409 478 G HA2 -0.008 3.968 3.960 0.027 0.000 0.421 478 G HA3 -0.008 3.968 3.960 0.027 0.000 0.421 478 G C -1.149 173.682 174.900 -0.114 0.000 1.259 478 G CA -0.387 44.697 45.100 -0.025 0.000 1.011 478 G HN 0.767 nan 8.290 nan 0.000 0.497 479 E N -0.251 119.745 120.200 -0.341 0.000 2.266 479 E HA 0.613 4.979 4.350 0.027 0.000 0.277 479 E C -1.168 175.027 176.600 -0.675 0.000 1.018 479 E CA -0.059 56.152 56.400 -0.314 0.000 0.840 479 E CB 1.576 31.159 29.700 -0.195 0.000 1.082 479 E HN 0.417 nan 8.360 nan 0.000 0.395 480 Y N -0.477 119.793 120.300 -0.050 0.000 2.470 480 Y HA 0.302 4.869 4.550 0.028 0.000 0.341 480 Y C -0.473 175.377 175.900 -0.083 0.000 1.021 480 Y CA -0.975 57.078 58.100 -0.079 0.000 1.025 480 Y CB 1.978 40.361 38.460 -0.128 0.000 1.266 480 Y HN 0.100 nan 8.280 nan 0.000 0.448 481 V N 4.613 124.557 119.914 0.051 0.000 2.409 481 V HA 0.488 4.624 4.120 0.027 0.000 0.290 481 V C -0.722 175.328 176.094 -0.072 0.000 1.017 481 V CA -0.823 61.447 62.300 -0.051 0.000 0.841 481 V CB 1.360 33.133 31.823 -0.082 0.000 1.003 481 V HN 0.573 nan 8.190 nan 0.000 0.426 482 L N 4.436 125.571 121.223 -0.147 0.000 2.325 482 L HA 0.563 4.920 4.340 0.027 0.000 0.281 482 L C -0.148 176.543 176.870 -0.297 0.000 1.004 482 L CA -0.645 54.115 54.840 -0.134 0.000 0.823 482 L CB 1.354 43.373 42.059 -0.067 0.000 1.236 482 L HN 0.599 nan 8.230 nan 0.000 0.415 483 H N 4.836 123.818 119.070 -0.147 0.000 2.819 483 H HA 0.304 4.876 4.556 0.027 0.000 0.303 483 H C -0.225 174.857 175.328 -0.411 0.000 1.058 483 H CA 0.075 55.976 56.048 -0.245 0.000 1.471 483 H CB 1.111 30.728 29.762 -0.241 0.000 1.480 483 H HN 0.470 nan 8.280 nan 0.000 0.517 484 M N 2.619 122.046 119.600 -0.289 0.000 2.314 484 M HA 0.137 4.634 4.480 0.027 0.000 0.342 484 M C -0.294 175.780 176.300 -0.377 0.000 1.171 484 M CA -0.433 54.669 55.300 -0.330 0.000 1.098 484 M CB 1.236 33.761 32.600 -0.124 0.000 1.559 484 M HN 0.442 nan 8.290 nan 0.000 0.459 485 W N 1.799 122.930 121.300 -0.282 0.000 2.287 485 W HA 0.306 4.982 4.660 0.028 0.000 0.313 485 W C 0.462 176.842 176.519 -0.233 0.000 1.267 485 W CA -0.206 56.916 57.345 -0.371 0.000 1.201 485 W CB 0.311 29.269 29.460 -0.836 0.000 1.196 485 W HN 0.541 nan 8.180 nan 0.000 0.536 486 Q N 1.839 121.719 119.800 0.134 0.000 2.316 486 Q HA 0.352 4.708 4.340 0.027 0.000 0.215 486 Q C -0.126 175.871 176.000 -0.005 0.000 1.020 486 Q CA -0.531 55.197 55.803 -0.125 0.000 0.970 486 Q CB 0.781 29.480 28.738 -0.064 0.000 1.187 486 Q HN 0.318 nan 8.270 nan 0.000 0.546 487 I N -0.052 120.438 120.570 -0.132 0.000 3.619 487 I HA 0.531 4.717 4.170 0.027 0.000 0.284 487 I C -0.048 176.049 176.117 -0.033 0.000 1.240 487 I CA -0.318 60.962 61.300 -0.033 0.000 1.016 487 I CB 1.158 39.103 38.000 -0.092 0.000 1.374 487 I HN 0.873 nan 8.210 nan 0.000 0.553 488 S N -0.786 114.901 115.700 -0.022 0.000 2.633 488 S HA 0.743 5.229 4.470 0.027 0.000 0.271 488 S C -0.635 173.960 174.600 -0.008 0.000 1.112 488 S CA -0.008 58.188 58.200 -0.007 0.000 0.828 488 S CB 1.294 64.507 63.200 0.021 0.000 1.086 488 S HN 1.901 nan 8.310 nan 0.000 0.461 498 N N 1.591 120.354 118.700 0.106 0.000 2.457 498 N HA 0.470 5.226 4.740 0.027 0.000 0.290 498 N C 0.568 176.086 175.510 0.013 0.000 1.232 498 N CA 0.329 53.401 53.050 0.037 0.000 0.852 498 N CB 1.737 40.231 38.487 0.011 0.000 1.313 498 N HN 0.122 nan 8.380 nan 0.000 0.522 499 A N 0.228 123.078 122.820 0.051 0.000 2.032 499 A HA -0.200 4.136 4.320 0.027 0.000 0.221 499 A C 1.280 178.912 177.584 0.080 0.000 1.165 499 A CA 1.654 53.735 52.037 0.073 0.000 0.645 499 A CB -0.585 18.375 19.000 -0.066 0.000 0.807 499 A HN 0.747 nan 8.150 nan 0.000 0.453 500 D N -0.198 120.153 120.400 -0.082 0.000 2.178 500 D HA -0.079 4.577 4.640 0.027 0.000 0.202 500 D C 1.615 177.793 176.300 -0.204 0.000 0.974 500 D CA 0.912 54.721 54.000 -0.320 0.000 0.841 500 D CB -0.230 40.049 40.800 -0.867 0.000 0.953 500 D HN 0.431 nan 8.370 nan 0.000 0.478 501 K N 0.188 120.435 120.400 -0.255 0.000 2.515 501 K HA 0.011 4.347 4.320 0.027 0.000 0.196 501 K C 1.612 178.104 176.600 -0.180 0.000 1.038 501 K CA 0.281 56.254 56.287 -0.524 0.000 0.967 501 K CB 0.208 32.383 32.500 -0.542 0.000 0.780 501 K HN 0.246 nan 8.250 nan 0.000 0.483 502 L N -0.424 120.788 121.223 -0.018 0.000 2.556 502 L HA 0.038 4.395 4.340 0.027 0.000 0.226 502 L C 1.199 178.101 176.870 0.053 0.000 1.089 502 L CA -0.106 54.762 54.840 0.046 0.000 0.864 502 L CB 0.169 42.292 42.059 0.106 0.000 1.067 502 L HN -0.048 nan 8.230 nan 0.000 0.477 503 T N 0.145 114.681 114.554 -0.030 0.000 2.923 503 T HA -0.090 4.276 4.350 0.027 0.000 0.304 503 T C 1.307 175.984 174.700 -0.038 0.000 1.044 503 T CA 0.656 62.612 62.100 -0.239 0.000 1.141 503 T CB 0.620 69.089 68.868 -0.665 0.000 1.023 503 T HN 0.404 nan 8.240 nan 0.000 0.533 504 S N 3.170 118.832 115.700 -0.063 0.000 2.575 504 S HA 0.395 4.882 4.470 0.027 0.000 0.215 504 S C 0.781 175.429 174.600 0.080 0.000 0.966 504 S CA -0.086 58.108 58.200 -0.010 0.000 0.911 504 S CB 0.149 63.270 63.200 -0.132 0.000 0.780 504 S HN 0.892 nan 8.310 nan 0.000 0.514 505 A N 2.286 125.158 122.820 0.087 0.000 2.316 505 A HA 0.609 4.946 4.320 0.027 0.000 0.284 505 A C 0.618 178.417 177.584 0.358 0.000 1.115 505 A CA -0.255 51.876 52.037 0.158 0.000 0.812 505 A CB 0.349 19.400 19.000 0.085 0.000 1.064 505 A HN 0.557 nan 8.150 nan 0.000 0.489 506 T N -0.032 114.617 114.554 0.158 0.000 2.934 506 T HA 0.365 4.731 4.350 0.027 0.000 0.283 506 T C 0.126 174.524 174.700 -0.503 0.000 1.005 506 T CA -0.906 61.124 62.100 -0.116 0.000 1.041 506 T CB 0.722 69.574 68.868 -0.027 0.000 1.042 506 T HN 0.557 nan 8.240 nan 0.000 0.505 507 N N 2.789 120.773 118.700 -1.193 0.000 2.438 507 N HA 0.141 4.898 4.740 0.027 0.000 0.267 507 N C -1.226 173.980 175.510 -0.507 0.000 1.222 507 N CA -2.126 50.130 53.050 -1.323 0.000 0.930 507 N CB 0.979 38.722 38.487 -1.240 0.000 1.083 507 N HN 0.413 nan 8.380 nan 0.000 0.476 508 P HA -0.103 nan 4.420 nan 0.000 0.218 508 P C 0.005 177.187 177.300 -0.196 0.000 1.149 508 P CA 0.716 63.719 63.100 -0.162 0.000 0.817 508 P CB 0.141 31.819 31.700 -0.037 0.000 0.785 509 D N 0.604 120.888 120.400 -0.193 0.000 2.357 509 D HA -0.007 4.650 4.640 0.027 0.000 0.265 509 D C 1.039 177.186 176.300 -0.255 0.000 1.334 509 D CA 0.294 54.195 54.000 -0.165 0.000 0.984 509 D CB 0.442 41.182 40.800 -0.099 0.000 1.077 509 D HN 0.002 nan 8.370 nan 0.000 0.514 510 K N 2.233 122.444 120.400 -0.315 0.000 2.067 510 K HA -0.030 4.306 4.320 0.027 0.000 0.203 510 K C 1.677 178.150 176.600 -0.211 0.000 1.048 510 K CA 0.598 56.603 56.287 -0.470 0.000 0.954 510 K CB 0.248 32.452 32.500 -0.495 0.000 0.737 510 K HN 0.413 nan 8.250 nan 0.000 0.444 511 E N 0.533 120.657 120.200 -0.127 0.000 2.273 511 E HA -0.176 4.191 4.350 0.027 0.000 0.198 511 E C 1.207 177.784 176.600 -0.038 0.000 1.002 511 E CA 0.895 57.257 56.400 -0.064 0.000 0.828 511 E CB 0.024 29.694 29.700 -0.050 0.000 0.747 511 E HN 0.331 nan 8.360 nan 0.000 0.491 512 N N 0.041 118.717 118.700 -0.040 0.000 2.516 512 N HA -0.027 4.730 4.740 0.027 0.000 0.197 512 N C 0.787 176.304 175.510 0.012 0.000 1.064 512 N CA 0.347 53.392 53.050 -0.007 0.000 0.866 512 N CB 0.273 38.762 38.487 0.003 0.000 1.255 512 N HN -0.012 nan 8.380 nan 0.000 0.447 513 S N 1.332 117.031 115.700 -0.001 0.000 2.573 513 S HA 0.201 4.687 4.470 0.027 0.000 0.277 513 S C 0.393 174.992 174.600 -0.003 0.000 1.346 513 S CA -0.512 57.699 58.200 0.018 0.000 1.034 513 S CB 0.855 64.043 63.200 -0.020 0.000 0.879 513 S HN 0.214 nan 8.310 nan 0.000 0.528 514 M N 2.825 122.335 119.600 -0.151 0.000 2.242 514 M HA 0.488 4.985 4.480 0.027 0.000 0.344 514 M C -0.078 176.083 176.300 -0.232 0.000 1.140 514 M CA 0.280 55.390 55.300 -0.317 0.000 1.160 514 M CB 1.044 33.110 32.600 -0.890 0.000 1.491 514 M HN 0.995 nan 8.290 nan 0.000 0.459 515 S N 4.597 120.153 115.700 -0.241 0.000 2.704 515 S HA 0.868 5.355 4.470 0.027 0.000 0.296 515 S C -0.962 173.510 174.600 -0.212 0.000 1.138 515 S CA -0.959 57.040 58.200 -0.334 0.000 0.875 515 S CB 1.378 64.186 63.200 -0.654 0.000 1.151 515 S HN 1.037 nan 8.310 nan 0.000 0.500 516 I N 0.496 120.953 120.570 -0.190 0.000 2.722 516 I HA 0.628 4.815 4.170 0.027 0.000 0.295 516 I C -1.541 174.529 176.117 -0.079 0.000 1.161 516 I CA -0.242 61.004 61.300 -0.091 0.000 1.032 516 I CB 2.223 40.186 38.000 -0.061 0.000 1.244 516 I HN 0.784 nan 8.210 nan 0.000 0.421 517 S N 7.634 123.312 115.700 -0.036 0.000 2.473 517 S HA 0.780 5.267 4.470 0.027 0.000 0.307 517 S C -0.557 174.035 174.600 -0.014 0.000 1.094 517 S CA -0.575 57.609 58.200 -0.026 0.000 1.070 517 S CB 1.413 64.594 63.200 -0.033 0.000 1.019 517 S HN 0.602 nan 8.310 nan 0.000 0.480 518 I N -0.227 120.347 120.570 0.006 0.000 3.174 518 I HA 0.864 5.050 4.170 0.027 0.000 0.313 518 I C -1.917 174.205 176.117 0.008 0.000 1.155 518 I CA -1.392 59.907 61.300 -0.001 0.000 0.977 518 I CB 1.844 39.871 38.000 0.046 0.000 1.248 518 I HN 0.499 nan 8.210 nan 0.000 0.453 519 L N 3.178 124.377 121.223 -0.041 0.000 2.455 519 L HA 0.680 5.036 4.340 0.027 0.000 0.264 519 L C -2.039 174.903 176.870 0.120 0.000 0.968 519 L CA -0.542 54.299 54.840 0.002 0.000 0.827 519 L CB 1.954 43.953 42.059 -0.101 0.000 1.317 519 L HN 0.558 nan 8.230 nan 0.000 0.407 520 L N 4.123 125.480 121.223 0.222 0.000 2.333 520 L HA 0.474 4.831 4.340 0.027 0.000 0.280 520 L C -0.517 176.485 176.870 0.221 0.000 1.004 520 L CA -0.424 54.561 54.840 0.242 0.000 0.820 520 L CB 1.185 43.401 42.059 0.261 0.000 1.247 520 L HN 0.620 nan 8.230 nan 0.000 0.416 521 D N 2.260 122.770 120.400 0.182 0.000 2.973 521 D HA -0.045 4.611 4.640 0.027 0.000 0.214 521 D C 0.771 177.120 176.300 0.082 0.000 1.079 521 D CA 1.006 55.055 54.000 0.081 0.000 0.797 521 D CB 0.228 40.989 40.800 -0.066 0.000 1.168 521 D HN 0.731 nan 8.370 nan 0.000 0.515 522 N N 0.232 118.982 118.700 0.083 0.000 2.622 522 N HA 0.399 5.156 4.740 0.027 0.000 0.304 522 N C 0.382 175.941 175.510 0.083 0.000 1.844 522 N CA -0.138 52.961 53.050 0.081 0.000 0.886 522 N CB -0.597 37.939 38.487 0.081 0.000 1.366 522 N HN 0.504 nan 8.380 nan 0.000 0.491 523 Y N -1.861 118.491 120.300 0.088 0.000 2.183 523 Y HA 0.375 4.941 4.550 0.027 0.000 0.380 523 Y C 2.554 178.559 175.900 0.176 0.000 1.308 523 Y CA -0.239 57.936 58.100 0.124 0.000 1.813 523 Y CB -0.871 37.681 38.460 0.153 0.000 1.584 523 Y HN 1.192 nan 8.280 nan 0.000 0.665 524 C N -0.574 118.809 119.300 0.138 0.000 2.212 524 C HA -0.291 4.186 4.460 0.027 0.000 0.218 524 C C 1.273 176.319 174.990 0.093 0.000 1.010 524 C CA 3.028 62.075 59.018 0.049 0.000 1.884 524 C CB -1.678 25.963 27.740 -0.165 0.000 1.748 524 C HN 1.601 nan 8.230 nan 0.000 0.370 525 H N -1.130 117.952 119.070 0.021 0.000 5.313 525 H HA 0.329 4.901 4.556 0.028 0.000 0.797 525 H C -2.880 172.464 175.328 0.026 0.000 1.957 525 H CA -0.690 55.370 56.048 0.021 0.000 1.552 525 H CB 0.623 30.397 29.762 0.021 0.000 3.837 525 H HN 0.588 nan 8.280 nan 0.000 0.646 526 P HA 0.190 nan 4.420 nan 0.000 0.276 526 P C -0.225 177.159 177.300 0.140 0.000 1.264 526 P CA -0.068 63.111 63.100 0.132 0.000 0.769 526 P CB 0.984 32.734 31.700 0.084 0.000 0.840 527 I N 3.051 123.659 120.570 0.062 0.000 2.291 527 I HA 0.411 4.597 4.170 0.027 0.000 0.290 527 I C 0.693 176.819 176.117 0.014 0.000 1.050 527 I CA -0.462 60.849 61.300 0.018 0.000 1.245 527 I CB 1.091 39.050 38.000 -0.068 0.000 1.405 527 I HN 0.330 nan 8.210 nan 0.000 0.478 528 A N 6.603 129.419 122.820 -0.006 0.000 2.325 528 A HA 0.771 5.108 4.320 0.027 0.000 0.333 528 A C -0.866 176.645 177.584 -0.121 0.000 1.155 528 A CA -0.591 51.427 52.037 -0.032 0.000 0.814 528 A CB 1.289 20.266 19.000 -0.037 0.000 1.206 528 A HN 0.641 nan 8.150 nan 0.000 0.482 529 L N 3.017 124.186 121.223 -0.090 0.000 2.289 529 L HA 0.645 5.001 4.340 0.027 0.000 0.285 529 L C -2.284 174.346 176.870 -0.400 0.000 1.049 529 L CA -1.388 53.313 54.840 -0.231 0.000 0.804 529 L CB 0.655 42.749 42.059 0.060 0.000 1.195 529 L HN 0.462 nan 8.230 nan 0.000 0.428 545 A N 0.473 123.281 122.820 -0.020 0.000 3.988 545 A HA 0.587 4.924 4.320 0.027 0.000 0.178 545 A C -0.433 177.163 177.584 0.019 0.000 0.740 545 A CA -0.278 51.755 52.037 -0.006 0.000 0.806 545 A CB 0.558 19.559 19.000 0.003 0.000 1.517 545 A HN 0.121 nan 8.150 nan 0.000 0.811 546 E N -0.467 119.748 120.200 0.026 0.000 2.620 546 E HA 0.575 4.941 4.350 0.027 0.000 0.255 546 E C -0.386 176.226 176.600 0.020 0.000 1.346 546 E CA 0.048 56.456 56.400 0.013 0.000 1.013 546 E CB 0.527 30.234 29.700 0.012 0.000 1.131 546 E HN 0.537 nan 8.360 nan 0.000 0.608 547 M N 1.107 120.684 119.600 -0.037 0.000 2.365 547 M HA 0.326 4.822 4.480 0.027 0.000 0.288 547 M C -2.379 173.861 176.300 -0.101 0.000 1.152 547 M CA -1.549 53.674 55.300 -0.127 0.000 0.948 547 M CB 1.717 34.111 32.600 -0.344 0.000 1.729 547 M HN 0.447 nan 8.290 nan 0.000 0.487 548 P HA 0.128 nan 4.420 nan 0.000 0.259 548 P C -0.530 176.729 177.300 -0.069 0.000 1.353 548 P CA 0.743 63.816 63.100 -0.044 0.000 0.727 548 P CB 0.297 31.991 31.700 -0.010 0.000 1.300 549 N N -3.817 114.849 118.700 -0.055 0.000 2.441 549 N HA -0.046 4.710 4.740 0.027 0.000 0.257 549 N C 1.383 176.862 175.510 -0.053 0.000 1.058 549 N CA 0.008 53.025 53.050 -0.055 0.000 0.853 549 N CB -0.499 37.967 38.487 -0.035 0.000 1.694 549 N HN 0.079 nan 8.380 nan 0.000 0.542 550 Q N 0.816 120.594 119.800 -0.036 0.000 2.224 550 Q HA 0.097 4.454 4.340 0.027 0.000 0.203 550 Q C 1.383 177.364 176.000 -0.031 0.000 0.970 550 Q CA 1.418 57.206 55.803 -0.026 0.000 0.865 550 Q CB -0.164 28.567 28.738 -0.012 0.000 0.922 550 Q HN 0.494 nan 8.270 nan 0.000 0.445 551 L N -0.432 120.764 121.223 -0.045 0.000 2.068 551 L HA -0.026 4.330 4.340 0.027 0.000 0.204 551 L C 2.665 179.453 176.870 -0.137 0.000 1.076 551 L CA 1.404 56.208 54.840 -0.059 0.000 0.753 551 L CB -0.513 41.516 42.059 -0.050 0.000 0.910 551 L HN 0.256 nan 8.230 nan 0.000 0.439 552 R N 1.004 121.395 120.500 -0.181 0.000 2.083 552 R HA -0.216 4.141 4.340 0.027 0.000 0.237 552 R C 2.190 178.418 176.300 -0.119 0.000 1.137 552 R CA 1.736 57.726 56.100 -0.183 0.000 0.951 552 R CB -0.031 30.177 30.300 -0.153 0.000 0.851 552 R HN 0.046 nan 8.270 nan 0.000 0.434 553 K N 0.195 120.545 120.400 -0.083 0.000 2.211 553 K HA -0.117 4.220 4.320 0.027 0.000 0.203 553 K C 2.062 178.632 176.600 -0.050 0.000 1.050 553 K CA 1.453 57.704 56.287 -0.059 0.000 0.945 553 K CB -0.042 32.433 32.500 -0.043 0.000 0.732 553 K HN 0.338 nan 8.250 nan 0.000 0.451 554 Q N -0.107 119.666 119.800 -0.045 0.000 2.096 554 Q HA -0.068 4.289 4.340 0.027 0.000 0.197 554 Q C 1.884 177.866 176.000 -0.029 0.000 0.964 554 Q CA 0.850 56.639 55.803 -0.024 0.000 0.838 554 Q CB 0.010 28.746 28.738 -0.003 0.000 0.906 554 Q HN 0.198 nan 8.270 nan 0.000 0.444 555 L N 1.189 122.382 121.223 -0.050 0.000 2.017 555 L HA -0.168 4.188 4.340 0.027 0.000 0.208 555 L C 1.892 178.705 176.870 -0.095 0.000 1.073 555 L CA 1.938 56.742 54.840 -0.060 0.000 0.745 555 L CB -0.348 41.653 42.059 -0.097 0.000 0.894 555 L HN 0.224 nan 8.230 nan 0.000 0.432 556 E N -0.738 119.391 120.200 -0.119 0.000 2.118 556 E HA -0.260 4.106 4.350 0.027 0.000 0.195 556 E C 2.132 178.682 176.600 -0.082 0.000 0.992 556 E CA 1.206 57.529 56.400 -0.129 0.000 0.804 556 E CB -0.282 29.356 29.700 -0.104 0.000 0.741 556 E HN 0.657 nan 8.360 nan 0.000 0.458 557 A N 0.615 123.401 122.820 -0.056 0.000 1.969 557 A HA -0.153 4.184 4.320 0.027 0.000 0.218 557 A C 2.084 179.651 177.584 -0.028 0.000 1.169 557 A CA 0.997 53.012 52.037 -0.036 0.000 0.635 557 A CB -0.430 18.555 19.000 -0.026 0.000 0.810 557 A HN 0.145 nan 8.150 nan 0.000 0.445 558 I N -0.176 120.377 120.570 -0.027 0.000 2.202 558 I HA -0.223 3.963 4.170 0.027 0.000 0.242 558 I C 2.184 178.293 176.117 -0.014 0.000 1.091 558 I CA 1.243 62.535 61.300 -0.012 0.000 1.368 558 I CB -0.345 37.654 38.000 -0.001 0.000 1.058 558 I HN 0.261 nan 8.210 nan 0.000 0.410 559 I N 0.941 121.487 120.570 -0.039 0.000 2.335 559 I HA -0.298 3.888 4.170 0.027 0.000 0.251 559 I C 2.748 178.856 176.117 -0.014 0.000 1.129 559 I CA 1.276 62.556 61.300 -0.033 0.000 1.402 559 I CB -0.600 37.339 38.000 -0.103 0.000 1.069 559 I HN 0.212 nan 8.210 nan 0.000 0.424 560 A N -0.175 122.630 122.820 -0.025 0.000 1.898 560 A HA -0.114 4.222 4.320 0.027 0.000 0.216 560 A C 1.662 179.241 177.584 -0.009 0.000 1.181 560 A CA 1.204 53.231 52.037 -0.017 0.000 0.620 560 A CB -0.761 18.224 19.000 -0.024 0.000 0.819 560 A HN 0.363 nan 8.150 nan 0.000 0.442 561 T N 1.348 115.899 114.554 -0.006 0.000 2.934 561 T HA 0.192 4.558 4.350 0.027 0.000 0.321 561 T C 0.173 174.876 174.700 0.005 0.000 1.080 561 T CA 0.527 62.626 62.100 -0.003 0.000 1.132 561 T CB -0.262 68.605 68.868 -0.001 0.000 1.039 561 T HN 0.627 nan 8.240 nan 0.000 0.543 562 D N 4.172 124.571 120.400 -0.001 0.000 2.361 562 D HA 0.201 4.858 4.640 0.027 0.000 0.239 562 D C -1.699 174.613 176.300 0.020 0.000 1.200 562 D CA -1.322 52.680 54.000 0.003 0.000 0.915 562 D CB 0.127 40.919 40.800 -0.013 0.000 1.170 562 D HN 0.178 nan 8.370 nan 0.000 0.444 563 P HA -0.110 nan 4.420 nan 0.000 0.218 563 P C 1.136 178.459 177.300 0.038 0.000 1.148 563 P CA 1.065 64.195 63.100 0.051 0.000 0.822 563 P CB 0.079 31.813 31.700 0.056 0.000 0.784 564 L N -1.936 119.299 121.223 0.020 0.000 2.418 564 L HA 0.027 4.383 4.340 0.027 0.000 0.218 564 L C 1.037 177.908 176.870 0.002 0.000 1.125 564 L CA -0.046 54.799 54.840 0.008 0.000 0.835 564 L CB -0.895 41.167 42.059 0.005 0.000 0.953 564 L HN -0.004 nan 8.230 nan 0.000 0.454 565 N N 1.433 120.135 118.700 0.004 0.000 2.452 565 N HA 0.082 4.839 4.740 0.027 0.000 0.266 565 N C -2.359 173.155 175.510 0.006 0.000 1.209 565 N CA -0.954 52.096 53.050 0.001 0.000 0.929 565 N CB 0.707 39.194 38.487 -0.001 0.000 1.063 565 N HN -0.127 nan 8.380 nan 0.000 0.472 566 P HA 0.131 nan 4.420 nan 0.000 0.272 566 P C -0.892 176.413 177.300 0.007 0.000 1.223 566 P CA -0.078 63.023 63.100 0.002 0.000 0.784 566 P CB 0.661 32.358 31.700 -0.003 0.000 0.923 567 L N 1.208 122.437 121.223 0.010 0.000 2.287 567 L HA 0.377 4.733 4.340 0.027 0.000 0.287 567 L C 1.012 177.887 176.870 0.008 0.000 1.022 567 L CA -0.565 54.283 54.840 0.014 0.000 0.814 567 L CB 1.480 43.554 42.059 0.025 0.000 1.217 567 L HN 0.376 nan 8.230 nan 0.000 0.420 568 T N 1.338 115.896 114.554 0.007 0.000 2.828 568 T HA 0.335 4.701 4.350 0.027 0.000 0.290 568 T C 1.355 176.056 174.700 0.002 0.000 1.019 568 T CA 0.211 62.313 62.100 0.003 0.000 1.031 568 T CB 1.504 70.374 68.868 0.003 0.000 1.001 568 T HN 0.683 nan 8.240 nan 0.000 0.531 569 A N 2.139 124.956 122.820 -0.005 0.000 1.917 569 A HA -0.118 4.219 4.320 0.027 0.000 0.219 569 A C 2.274 179.856 177.584 -0.003 0.000 1.182 569 A CA 2.023 54.053 52.037 -0.011 0.000 0.633 569 A CB -1.106 17.883 19.000 -0.019 0.000 0.819 569 A HN 0.967 nan 8.150 nan 0.000 0.448 570 E N 0.124 120.325 120.200 0.001 0.000 2.049 570 E HA -0.253 4.113 4.350 0.027 0.000 0.198 570 E C 1.577 178.191 176.600 0.023 0.000 1.007 570 E CA 1.856 58.261 56.400 0.008 0.000 0.809 570 E CB -0.343 29.361 29.700 0.006 0.000 0.749 570 E HN 0.572 nan 8.360 nan 0.000 0.450 571 D N 0.263 120.678 120.400 0.024 0.000 2.104 571 D HA -0.132 4.524 4.640 0.027 0.000 0.194 571 D C 2.028 178.357 176.300 0.048 0.000 0.994 571 D CA 1.091 55.112 54.000 0.035 0.000 0.830 571 D CB -0.141 40.675 40.800 0.026 0.000 0.959 571 D HN 0.179 nan 8.370 nan 0.000 0.452 572 K N 0.547 120.969 120.400 0.037 0.000 2.002 572 K HA -0.106 4.230 4.320 0.027 0.000 0.209 572 K C 2.100 178.746 176.600 0.076 0.000 1.048 572 K CA 0.965 57.278 56.287 0.044 0.000 0.930 572 K CB -0.080 32.425 32.500 0.008 0.000 0.714 572 K HN 0.219 nan 8.250 nan 0.000 0.438 573 E N 1.001 121.233 120.200 0.053 0.000 2.160 573 E HA -0.192 4.174 4.350 0.027 0.000 0.195 573 E C 2.118 178.779 176.600 0.101 0.000 0.991 573 E CA 0.708 57.152 56.400 0.073 0.000 0.810 573 E CB -0.070 29.638 29.700 0.014 0.000 0.742 573 E HN 0.271 nan 8.360 nan 0.000 0.466 574 L N 0.642 121.919 121.223 0.091 0.000 1.988 574 L HA -0.200 4.156 4.340 0.027 0.000 0.207 574 L C 2.355 179.333 176.870 0.179 0.000 1.071 574 L CA 0.780 55.706 54.840 0.143 0.000 0.744 574 L CB -0.184 41.963 42.059 0.148 0.000 0.893 574 L HN 0.200 nan 8.230 nan 0.000 0.433 575 L N -0.352 120.950 121.223 0.131 0.000 2.013 575 L HA -0.335 4.022 4.340 0.027 0.000 0.212 575 L C 2.251 179.152 176.870 0.052 0.000 1.073 575 L CA 2.046 56.937 54.840 0.085 0.000 0.753 575 L CB -1.637 40.457 42.059 0.057 0.000 0.890 575 L HN 0.596 nan 8.230 nan 0.000 0.432 576 W N -0.037 121.215 121.300 -0.081 0.000 2.378 576 W HA -0.245 4.426 4.660 0.017 0.000 0.313 576 W C 2.715 179.153 176.519 -0.135 0.000 1.197 576 W CA 1.797 59.062 57.345 -0.132 0.000 1.304 576 W CB -0.628 28.755 29.460 -0.130 0.000 1.148 576 W HN 0.365 nan 8.180 nan 0.000 0.494 577 H N -0.473 118.446 119.070 -0.253 0.000 2.352 577 H HA -0.191 4.388 4.556 0.038 0.000 0.299 577 H C 0.525 175.499 175.328 -0.589 0.000 1.097 577 H CA 1.818 57.576 56.048 -0.483 0.000 1.311 577 H CB -0.815 28.617 29.762 -0.549 0.000 1.377 577 H HN 0.025 nan 8.280 nan 0.000 0.504 578 F N 2.011 121.888 119.950 -0.122 0.000 2.980 578 F HA 0.181 4.696 4.527 -0.019 0.000 0.299 578 F C 1.917 177.587 175.800 -0.217 0.000 1.211 578 F CA -0.536 57.380 58.000 -0.140 0.000 1.328 578 F CB 0.110 39.091 39.000 -0.032 0.000 1.154 578 F HN 0.154 nan 8.300 nan 0.000 0.528 579 R N -0.904 119.404 120.500 -0.319 0.000 2.096 579 R HA -0.197 4.160 4.340 0.027 0.000 0.235 579 R C 0.995 177.034 176.300 -0.434 0.000 1.127 579 R CA 1.708 57.505 56.100 -0.505 0.000 0.968 579 R CB -0.964 28.775 30.300 -0.934 0.000 0.861 579 R HN 0.332 nan 8.270 nan 0.000 0.440 580 Y N 1.045 121.218 120.300 -0.211 0.000 2.293 580 Y HA -0.070 4.494 4.550 0.024 0.000 0.291 580 Y C 2.330 178.199 175.900 -0.053 0.000 1.137 580 Y CA 1.225 59.248 58.100 -0.130 0.000 1.202 580 Y CB -0.069 38.321 38.460 -0.117 0.000 0.990 580 Y HN 0.158 nan 8.280 nan 0.000 0.537 581 E N -0.393 119.880 120.200 0.121 0.000 2.299 581 E HA -0.057 4.310 4.350 0.027 0.000 0.193 581 E C 2.050 178.734 176.600 0.141 0.000 0.998 581 E CA 0.817 57.286 56.400 0.116 0.000 0.851 581 E CB -0.085 29.666 29.700 0.086 0.000 0.795 581 E HN 0.139 nan 8.360 nan 0.000 0.492 582 S N -0.148 115.579 115.700 0.046 0.000 2.461 582 S HA 0.001 4.488 4.470 0.027 0.000 0.228 582 S C 1.439 176.041 174.600 0.003 0.000 1.005 582 S CA 0.122 58.330 58.200 0.013 0.000 0.942 582 S CB -0.036 63.094 63.200 -0.116 0.000 0.776 582 S HN 0.185 nan 8.310 nan 0.000 0.514 583 L N 1.807 122.992 121.223 -0.063 0.000 2.313 583 L HA 0.126 4.483 4.340 0.027 0.000 0.214 583 L C 1.636 178.636 176.870 0.216 0.000 1.119 583 L CA 1.453 56.257 54.840 -0.060 0.000 0.809 583 L CB -0.283 41.713 42.059 -0.104 0.000 0.933 583 L HN 0.098 nan 8.230 nan 0.000 0.449 584 K N -1.174 119.307 120.400 0.135 0.000 2.525 584 K HA 0.037 4.373 4.320 0.027 0.000 0.192 584 K C -0.235 176.246 176.600 -0.198 0.000 1.029 584 K CA 0.356 56.626 56.287 -0.030 0.000 1.029 584 K CB -0.090 32.319 32.500 -0.151 0.000 0.814 584 K HN 0.396 nan 8.250 nan 0.000 0.503 585 H N 0.180 119.374 119.070 0.208 0.000 2.736 585 H HA 0.129 4.704 4.556 0.032 0.000 0.271 585 H C -2.178 173.349 175.328 0.331 0.000 1.184 585 H CA -2.089 54.072 56.048 0.189 0.000 1.378 585 H CB 1.447 31.277 29.762 0.113 0.000 1.428 585 H HN -0.113 nan 8.280 nan 0.000 0.500 586 P HA -0.224 nan 4.420 nan 0.000 0.218 586 P C 1.638 179.128 177.300 0.317 0.000 1.152 586 P CA 1.427 64.607 63.100 0.133 0.000 0.857 586 P CB 0.418 32.062 31.700 -0.093 0.000 0.787 587 K N -1.009 119.533 120.400 0.237 0.000 2.281 587 K HA -0.106 4.230 4.320 0.027 0.000 0.203 587 K C 1.854 178.588 176.600 0.224 0.000 1.046 587 K CA 1.257 57.659 56.287 0.191 0.000 0.938 587 K CB -0.347 32.227 32.500 0.122 0.000 0.737 587 K HN 0.084 nan 8.250 nan 0.000 0.458 588 A N -0.315 122.685 122.820 0.300 0.000 2.081 588 A HA -0.042 4.295 4.320 0.027 0.000 0.214 588 A C 1.380 179.067 177.584 0.173 0.000 1.158 588 A CA 0.345 52.498 52.037 0.194 0.000 0.724 588 A CB -0.335 18.739 19.000 0.123 0.000 0.826 588 A HN 0.194 nan 8.150 nan 0.000 0.463 589 Y N 0.764 121.081 120.300 0.029 0.000 2.062 589 Y HA -0.194 4.373 4.550 0.029 0.000 0.276 589 Y C -0.204 175.735 175.900 0.065 0.000 1.189 589 Y CA 2.451 60.521 58.100 -0.050 0.000 1.130 589 Y CB -1.997 36.470 38.460 0.011 0.000 0.959 589 Y HN 0.299 nan 8.280 nan 0.000 0.499 590 P HA -0.159 nan 4.420 nan 0.000 0.215 590 P C 1.242 178.787 177.300 0.408 0.000 1.157 590 P CA 2.235 65.501 63.100 0.277 0.000 0.868 590 P CB -0.038 31.809 31.700 0.245 0.000 0.788 591 K N -0.916 119.623 120.400 0.231 0.000 2.057 591 K HA -0.116 4.220 4.320 0.027 0.000 0.206 591 K C 2.036 178.697 176.600 0.103 0.000 1.050 591 K CA 1.015 57.400 56.287 0.162 0.000 0.935 591 K CB -0.930 31.628 32.500 0.098 0.000 0.715 591 K HN 0.054 nan 8.250 nan 0.000 0.439 592 L N 0.610 121.813 121.223 -0.033 0.000 2.017 592 L HA -0.100 4.256 4.340 0.027 0.000 0.208 592 L C 1.825 178.608 176.870 -0.145 0.000 1.073 592 L CA 1.674 56.392 54.840 -0.204 0.000 0.745 592 L CB -0.442 41.297 42.059 -0.534 0.000 0.894 592 L HN 0.066 nan 8.230 nan 0.000 0.432 593 F N -0.903 119.173 119.950 0.210 0.000 2.407 593 F HA -0.093 4.454 4.527 0.033 0.000 0.299 593 F C 2.348 178.488 175.800 0.568 0.000 1.097 593 F CA 0.895 59.136 58.000 0.403 0.000 1.422 593 F CB -0.346 38.904 39.000 0.417 0.000 1.067 593 F HN 0.062 nan 8.300 nan 0.000 0.539 594 S N -0.951 115.086 115.700 0.562 0.000 2.446 594 S HA -0.089 4.397 4.470 0.027 0.000 0.225 594 S C 1.788 176.499 174.600 0.185 0.000 1.016 594 S CA 0.873 59.273 58.200 0.333 0.000 0.943 594 S CB -0.170 63.153 63.200 0.205 0.000 0.786 594 S HN 0.193 nan 8.310 nan 0.000 0.508 595 S N 1.354 117.129 115.700 0.126 0.000 2.650 595 S HA 0.155 4.642 4.470 0.027 0.000 0.219 595 S C 0.400 174.924 174.600 -0.125 0.000 0.960 595 S CA -0.073 58.143 58.200 0.027 0.000 0.925 595 S CB -0.090 63.153 63.200 0.072 0.000 0.775 595 S HN 0.181 nan 8.310 nan 0.000 0.525 596 V N 2.360 122.155 119.914 -0.198 0.000 2.498 596 V HA 0.206 4.343 4.120 0.027 0.000 0.279 596 V C 0.279 175.950 176.094 -0.705 0.000 1.048 596 V CA -0.616 61.280 62.300 -0.674 0.000 0.967 596 V CB 1.134 32.323 31.823 -1.057 0.000 0.988 596 V HN 0.194 nan 8.190 nan 0.000 0.473 597 K N 4.310 124.263 120.400 -0.745 0.000 2.183 597 K HA 0.154 4.490 4.320 0.027 0.000 0.272 597 K C 0.074 176.376 176.600 -0.498 0.000 1.113 597 K CA 0.083 56.078 56.287 -0.487 0.000 0.949 597 K CB 0.269 32.495 32.500 -0.456 0.000 1.365 597 K HN 0.694 nan 8.250 nan 0.000 0.420 598 W N 0.981 122.121 121.300 -0.266 0.000 2.519 598 W HA -0.021 4.658 4.660 0.030 0.000 0.266 598 W C 1.859 178.170 176.519 -0.346 0.000 1.253 598 W CA 0.157 57.283 57.345 -0.365 0.000 1.274 598 W CB 0.241 29.327 29.460 -0.624 0.000 1.114 598 W HN 0.635 nan 8.180 nan 0.000 0.596 599 G N -0.045 108.701 108.800 -0.091 0.000 3.155 599 G HA2 0.017 3.993 3.960 0.027 0.000 0.213 599 G HA3 0.017 3.993 3.960 0.027 0.000 0.213 599 G C 0.220 175.044 174.900 -0.128 0.000 1.196 599 G CA -0.173 44.867 45.100 -0.100 0.000 0.846 599 G HN 0.172 nan 8.290 nan 0.000 0.516 600 Q N -0.286 119.406 119.800 -0.180 0.000 2.337 600 Q HA 0.181 4.537 4.340 0.027 0.000 0.264 600 Q C 0.806 176.662 176.000 -0.240 0.000 1.007 600 Q CA -0.590 55.090 55.803 -0.205 0.000 0.727 600 Q CB 1.869 30.465 28.738 -0.237 0.000 1.256 600 Q HN 0.242 nan 8.270 nan 0.000 0.467 601 Q N 2.514 122.166 119.800 -0.246 0.000 2.065 601 Q HA -0.311 4.045 4.340 0.027 0.000 0.213 601 Q C 1.112 176.877 176.000 -0.391 0.000 1.012 601 Q CA 2.380 57.960 55.803 -0.372 0.000 0.876 601 Q CB 0.146 28.586 28.738 -0.496 0.000 0.954 601 Q HN 0.648 nan 8.270 nan 0.000 0.413 602 E N -0.511 119.504 120.200 -0.310 0.000 2.085 602 E HA -0.168 4.198 4.350 0.027 0.000 0.194 602 E C 2.010 178.499 176.600 -0.185 0.000 0.994 602 E CA 1.368 57.627 56.400 -0.235 0.000 0.801 602 E CB -0.153 29.447 29.700 -0.167 0.000 0.743 602 E HN 0.444 nan 8.360 nan 0.000 0.453 603 I N 0.830 121.261 120.570 -0.231 0.000 2.142 603 I HA -0.227 3.959 4.170 0.027 0.000 0.240 603 I C 2.627 178.599 176.117 -0.242 0.000 1.078 603 I CA 0.889 62.023 61.300 -0.275 0.000 1.343 603 I CB -1.469 36.198 38.000 -0.555 0.000 1.046 603 I HN -0.048 nan 8.210 nan 0.000 0.405 604 V N 1.628 121.347 119.914 -0.325 0.000 2.282 604 V HA -0.324 3.813 4.120 0.027 0.000 0.249 604 V C 2.865 178.765 176.094 -0.323 0.000 1.057 604 V CA 2.017 64.126 62.300 -0.318 0.000 1.032 604 V CB -1.458 30.218 31.823 -0.245 0.000 0.645 604 V HN 0.491 nan 8.190 nan 0.000 0.447 605 A N -0.233 122.411 122.820 -0.292 0.000 1.908 605 A HA -0.274 4.063 4.320 0.027 0.000 0.218 605 A C 2.315 179.896 177.584 -0.005 0.000 1.181 605 A CA 2.240 54.160 52.037 -0.194 0.000 0.627 605 A CB -0.459 18.405 19.000 -0.226 0.000 0.818 605 A HN 0.592 nan 8.150 nan 0.000 0.445 606 K N -0.986 119.435 120.400 0.035 0.000 2.103 606 K HA -0.054 4.283 4.320 0.027 0.000 0.204 606 K C 2.010 178.701 176.600 0.151 0.000 1.052 606 K CA 1.533 57.888 56.287 0.113 0.000 0.945 606 K CB -0.320 32.288 32.500 0.179 0.000 0.722 606 K HN 0.513 nan 8.250 nan 0.000 0.443 607 T N 0.602 115.292 114.554 0.227 0.000 2.788 607 T HA -0.146 4.221 4.350 0.027 0.000 0.268 607 T C 1.659 176.608 174.700 0.414 0.000 1.044 607 T CA 1.185 63.467 62.100 0.304 0.000 1.139 607 T CB -0.350 68.672 68.868 0.255 0.000 0.867 607 T HN 0.303 nan 8.240 nan 0.000 0.454 608 Y N 1.419 121.790 120.300 0.119 0.000 2.263 608 Y HA -0.115 4.451 4.550 0.026 0.000 0.292 608 Y C 3.014 178.968 175.900 0.090 0.000 1.130 608 Y CA 0.342 58.512 58.100 0.116 0.000 1.179 608 Y CB -0.188 38.349 38.460 0.129 0.000 0.998 608 Y HN 0.241 nan 8.280 nan 0.000 0.532 609 Q N 0.350 120.289 119.800 0.232 0.000 2.061 609 Q HA -0.236 4.121 4.340 0.027 0.000 0.204 609 Q C 2.342 178.413 176.000 0.118 0.000 0.984 609 Q CA 1.545 57.440 55.803 0.152 0.000 0.846 609 Q CB -0.273 28.542 28.738 0.128 0.000 0.902 609 Q HN 0.533 nan 8.270 nan 0.000 0.421 610 L N 0.412 121.666 121.223 0.051 0.000 2.013 610 L HA -0.248 4.108 4.340 0.027 0.000 0.212 610 L C 2.319 179.222 176.870 0.054 0.000 1.073 610 L CA 1.141 55.952 54.840 -0.049 0.000 0.753 610 L CB -0.371 41.597 42.059 -0.152 0.000 0.890 610 L HN 0.348 nan 8.230 nan 0.000 0.432 611 L N -0.735 120.553 121.223 0.108 0.000 2.191 611 L HA -0.193 4.163 4.340 0.027 0.000 0.212 611 L C 2.627 179.535 176.870 0.064 0.000 1.103 611 L CA 0.904 55.788 54.840 0.072 0.000 0.769 611 L CB -0.508 41.528 42.059 -0.039 0.000 0.908 611 L HN 0.263 nan 8.230 nan 0.000 0.438 612 A N -0.812 122.055 122.820 0.078 0.000 2.119 612 A HA -0.049 4.288 4.320 0.027 0.000 0.217 612 A C 1.546 179.185 177.584 0.093 0.000 1.153 612 A CA 0.724 52.808 52.037 0.079 0.000 0.692 612 A CB -0.097 18.954 19.000 0.085 0.000 0.799 612 A HN 0.203 nan 8.150 nan 0.000 0.458 613 R N -0.122 120.444 120.500 0.109 0.000 3.534 613 R HA 0.210 4.567 4.340 0.027 0.000 0.312 613 R C 0.687 177.077 176.300 0.150 0.000 1.419 613 R CA -0.102 56.072 56.100 0.124 0.000 1.262 613 R CB -0.356 30.033 30.300 0.149 0.000 1.437 613 R HN 0.478 nan 8.270 nan 0.000 0.627 614 R N 1.414 122.013 120.500 0.165 0.000 2.310 614 R HA -0.034 4.322 4.340 0.027 0.000 0.202 614 R C 1.224 177.669 176.300 0.243 0.000 0.933 614 R CA 0.267 56.512 56.100 0.242 0.000 1.054 614 R CB 0.395 30.817 30.300 0.204 0.000 0.985 614 R HN 0.342 nan 8.270 nan 0.000 0.489 615 E N 0.176 120.473 120.200 0.162 0.000 2.132 615 E HA -0.284 4.082 4.350 0.027 0.000 0.218 615 E C 1.668 178.334 176.600 0.110 0.000 1.058 615 E CA 2.127 58.598 56.400 0.117 0.000 0.882 615 E CB -0.814 28.933 29.700 0.078 0.000 0.774 615 E HN 0.162 nan 8.360 nan 0.000 0.467 616 V N 1.239 121.230 119.914 0.128 0.000 2.287 616 V HA -0.254 3.882 4.120 0.027 0.000 0.248 616 V C 2.350 178.479 176.094 0.057 0.000 1.053 616 V CA 2.238 64.588 62.300 0.083 0.000 1.027 616 V CB -1.251 30.628 31.823 0.093 0.000 0.646 616 V HN 0.455 nan 8.190 nan 0.000 0.447 617 W N 1.669 122.922 121.300 -0.077 0.000 2.332 617 W HA -0.210 4.466 4.660 0.026 0.000 0.321 617 W C 2.212 178.653 176.519 -0.129 0.000 1.219 617 W CA 2.264 59.476 57.345 -0.223 0.000 1.277 617 W CB -0.491 28.778 29.460 -0.317 0.000 1.161 617 W HN 0.352 nan 8.180 nan 0.000 0.476 618 D N 0.080 120.549 120.400 0.116 0.000 2.133 618 D HA -0.240 4.417 4.640 0.027 0.000 0.195 618 D C 2.128 178.383 176.300 -0.075 0.000 0.997 618 D CA 1.844 55.864 54.000 0.032 0.000 0.840 618 D CB -0.631 40.236 40.800 0.111 0.000 0.947 618 D HN 0.428 nan 8.370 nan 0.000 0.452 619 Q N 0.464 120.227 119.800 -0.062 0.000 2.096 619 Q HA -0.010 4.346 4.340 0.027 0.000 0.197 619 Q C 0.864 176.788 176.000 -0.127 0.000 0.964 619 Q CA 0.317 56.075 55.803 -0.074 0.000 0.838 619 Q CB 0.138 28.853 28.738 -0.039 0.000 0.906 619 Q HN 0.214 nan 8.270 nan 0.000 0.444 620 S N 0.602 116.194 115.700 -0.179 0.000 2.559 620 S HA 0.202 4.689 4.470 0.027 0.000 0.282 620 S C 0.151 174.604 174.600 -0.245 0.000 1.336 620 S CA -0.345 57.726 58.200 -0.215 0.000 1.037 620 S CB 0.742 63.778 63.200 -0.275 0.000 0.853 620 S HN 0.289 nan 8.310 nan 0.000 0.523 621 A N 2.178 124.879 122.820 -0.199 0.000 2.477 621 A HA 0.411 4.747 4.320 0.027 0.000 0.246 621 A C 0.304 177.740 177.584 -0.246 0.000 1.078 621 A CA -0.628 51.300 52.037 -0.181 0.000 0.770 621 A CB -0.332 18.587 19.000 -0.135 0.000 1.011 621 A HN 1.282 nan 8.150 nan 0.000 0.494 622 L N 2.073 123.156 121.223 -0.233 0.000 2.540 622 L HA 0.195 4.552 4.340 0.027 0.000 0.276 622 L C -0.156 176.575 176.870 -0.232 0.000 1.212 622 L CA 0.717 55.395 54.840 -0.270 0.000 0.893 622 L CB 0.333 42.274 42.059 -0.196 0.000 1.138 622 L HN 0.648 nan 8.230 nan 0.000 0.491 623 D N 3.963 124.198 120.400 -0.275 0.000 2.440 623 D HA 0.160 4.816 4.640 0.027 0.000 0.252 623 D C 0.908 177.093 176.300 -0.193 0.000 1.180 623 D CA -0.373 53.506 54.000 -0.202 0.000 0.894 623 D CB 1.644 42.327 40.800 -0.195 0.000 1.111 623 D HN 0.492 nan 8.370 nan 0.000 0.544 624 V N 3.776 123.569 119.914 -0.203 0.000 2.287 624 V HA -0.185 3.952 4.120 0.027 0.000 0.248 624 V C 2.553 178.523 176.094 -0.207 0.000 1.053 624 V CA 2.326 64.445 62.300 -0.302 0.000 1.027 624 V CB -0.666 30.786 31.823 -0.618 0.000 0.646 624 V HN 0.683 nan 8.190 nan 0.000 0.447 625 G N -0.569 108.162 108.800 -0.115 0.000 2.446 625 G HA2 -0.263 3.713 3.960 0.027 0.000 0.217 625 G HA3 -0.263 3.713 3.960 0.027 0.000 0.217 625 G C 1.651 176.541 174.900 -0.018 0.000 1.168 625 G CA 1.137 46.213 45.100 -0.041 0.000 0.771 625 G HN 0.440 nan 8.290 nan 0.000 0.551 626 L N 0.356 121.567 121.223 -0.020 0.000 2.046 626 L HA -0.093 4.264 4.340 0.027 0.000 0.208 626 L C 3.112 180.032 176.870 0.083 0.000 1.077 626 L CA 1.942 56.808 54.840 0.043 0.000 0.747 626 L CB -0.530 41.541 42.059 0.020 0.000 0.896 626 L HN 0.254 nan 8.230 nan 0.000 0.432 627 T N -0.155 114.406 114.554 0.012 0.000 2.708 627 T HA -0.208 4.158 4.350 0.027 0.000 0.266 627 T C 1.961 176.653 174.700 -0.013 0.000 1.037 627 T CA 1.375 63.489 62.100 0.023 0.000 1.146 627 T CB -0.126 68.693 68.868 -0.082 0.000 0.865 627 T HN 0.166 nan 8.240 nan 0.000 0.435 628 M N 1.467 121.040 119.600 -0.045 0.000 2.106 628 M HA -0.115 4.382 4.480 0.027 0.000 0.259 628 M C 2.332 178.643 176.300 0.018 0.000 1.068 628 M CA 1.395 56.686 55.300 -0.015 0.000 1.100 628 M CB -1.361 31.232 32.600 -0.011 0.000 1.351 628 M HN 0.353 nan 8.290 nan 0.000 0.404 629 Q N -0.014 119.801 119.800 0.025 0.000 2.077 629 Q HA -0.174 4.182 4.340 0.027 0.000 0.206 629 Q C 2.044 178.046 176.000 0.003 0.000 0.989 629 Q CA 1.363 57.201 55.803 0.059 0.000 0.853 629 Q CB -0.331 28.455 28.738 0.079 0.000 0.907 629 Q HN 0.517 nan 8.270 nan 0.000 0.418 630 L N 0.150 121.259 121.223 -0.190 0.000 2.551 630 L HA -0.078 4.279 4.340 0.027 0.000 0.228 630 L C 1.652 178.437 176.870 -0.140 0.000 1.153 630 L CA 0.303 54.856 54.840 -0.478 0.000 0.851 630 L CB -0.042 41.751 42.059 -0.444 0.000 0.959 630 L HN 0.184 nan 8.230 nan 0.000 0.451 631 L N -0.473 120.749 121.223 -0.002 0.000 2.640 631 L HA 0.104 4.460 4.340 0.027 0.000 0.230 631 L C 0.584 177.539 176.870 0.141 0.000 1.123 631 L CA -0.479 54.408 54.840 0.078 0.000 0.900 631 L CB -0.297 41.806 42.059 0.073 0.000 1.146 631 L HN 0.288 nan 8.230 nan 0.000 0.484 632 D N -0.944 119.480 120.400 0.040 0.000 2.447 632 D HA -0.040 4.616 4.640 0.027 0.000 0.265 632 D C 1.564 177.554 176.300 -0.518 0.000 1.250 632 D CA -0.258 53.517 54.000 -0.376 0.000 1.046 632 D CB 0.352 40.962 40.800 -0.316 0.000 1.095 632 D HN 0.133 nan 8.370 nan 0.000 0.555 633 C N -1.101 117.565 119.300 -1.058 0.000 2.409 633 C HA -0.050 4.427 4.460 0.027 0.000 0.284 633 C C 1.673 176.452 174.990 -0.351 0.000 1.354 633 C CA 0.500 59.161 59.018 -0.596 0.000 1.787 633 C CB -1.892 25.520 27.740 -0.547 0.000 1.900 633 C HN 0.579 nan 8.230 nan 0.000 0.520 634 N N -0.639 117.818 118.700 -0.406 0.000 2.515 634 N HA 0.163 4.919 4.740 0.027 0.000 0.185 634 N C -0.663 174.307 175.510 -0.900 0.000 1.109 634 N CA 0.510 53.173 53.050 -0.645 0.000 0.903 634 N CB -0.006 37.975 38.487 -0.844 0.000 0.969 634 N HN 0.577 nan 8.380 nan 0.000 0.450 635 F N -0.737 119.106 119.950 -0.178 0.000 2.500 635 F HA 0.338 4.880 4.527 0.025 0.000 0.349 635 F C 0.550 176.165 175.800 -0.308 0.000 1.127 635 F CA -0.783 57.087 58.000 -0.218 0.000 0.998 635 F CB 1.828 40.748 39.000 -0.133 0.000 1.237 635 F HN -0.198 nan 8.300 nan 0.000 0.439 636 S N 0.460 115.908 115.700 -0.420 0.000 2.556 636 S HA -0.028 4.458 4.470 0.027 0.000 0.216 636 S C -0.027 174.306 174.600 -0.445 0.000 0.970 636 S CA -0.135 57.722 58.200 -0.571 0.000 0.912 636 S CB -0.297 62.228 63.200 -1.125 0.000 0.790 636 S HN 0.659 nan 8.310 nan 0.000 0.504 637 D N 1.370 121.557 120.400 -0.355 0.000 2.280 637 D HA 0.175 4.831 4.640 0.027 0.000 0.243 637 D C 1.008 177.263 176.300 -0.074 0.000 1.129 637 D CA -0.140 53.755 54.000 -0.176 0.000 0.848 637 D CB 0.772 41.374 40.800 -0.330 0.000 1.107 637 D HN 0.048 nan 8.370 nan 0.000 0.471 638 E N 2.414 122.623 120.200 0.014 0.000 2.097 638 E HA -0.231 4.136 4.350 0.027 0.000 0.196 638 E C 1.191 177.766 176.600 -0.042 0.000 1.000 638 E CA 0.888 57.296 56.400 0.014 0.000 0.804 638 E CB 0.027 29.759 29.700 0.053 0.000 0.740 638 E HN 0.563 nan 8.360 nan 0.000 0.454 639 N N 0.595 119.250 118.700 -0.075 0.000 2.188 639 N HA -0.115 4.641 4.740 0.027 0.000 0.184 639 N C 2.067 177.422 175.510 -0.258 0.000 1.018 639 N CA 0.875 53.805 53.050 -0.200 0.000 0.858 639 N CB -0.213 38.017 38.487 -0.428 0.000 0.989 639 N HN 0.024 nan 8.380 nan 0.000 0.426 640 V N 2.130 121.872 119.914 -0.287 0.000 2.244 640 V HA -0.186 3.951 4.120 0.027 0.000 0.244 640 V C 2.431 178.324 176.094 -0.335 0.000 1.042 640 V CA 1.448 63.469 62.300 -0.465 0.000 1.006 640 V CB -0.455 31.065 31.823 -0.505 0.000 0.641 640 V HN 0.239 nan 8.190 nan 0.000 0.446 641 R N 0.338 120.714 120.500 -0.206 0.000 2.113 641 R HA -0.243 4.114 4.340 0.027 0.000 0.244 641 R C 2.376 178.614 176.300 -0.103 0.000 1.142 641 R CA 1.747 57.771 56.100 -0.127 0.000 0.953 641 R CB -0.818 29.451 30.300 -0.052 0.000 0.860 641 R HN 0.551 nan 8.270 nan 0.000 0.438 642 A N 1.784 124.551 122.820 -0.090 0.000 1.978 642 A HA -0.153 4.184 4.320 0.027 0.000 0.220 642 A C 2.218 179.771 177.584 -0.051 0.000 1.170 642 A CA 1.593 53.597 52.037 -0.054 0.000 0.636 642 A CB -0.732 18.245 19.000 -0.039 0.000 0.810 642 A HN 0.544 nan 8.150 nan 0.000 0.448 643 I N -3.310 117.196 120.570 -0.106 0.000 2.546 643 I HA 0.008 4.195 4.170 0.027 0.000 0.255 643 I C 2.235 178.434 176.117 0.137 0.000 1.163 643 I CA 1.309 62.583 61.300 -0.043 0.000 1.457 643 I CB -0.336 37.494 38.000 -0.282 0.000 1.092 643 I HN 0.154 nan 8.210 nan 0.000 0.434 644 A N 1.441 124.279 122.820 0.030 0.000 1.929 644 A HA 0.009 4.346 4.320 0.027 0.000 0.216 644 A C 2.341 179.912 177.584 -0.021 0.000 1.176 644 A CA 1.626 53.721 52.037 0.096 0.000 0.628 644 A CB -0.868 18.127 19.000 -0.009 0.000 0.816 644 A HN 0.343 nan 8.150 nan 0.000 0.444 645 V N 0.265 120.131 119.914 -0.080 0.000 2.427 645 V HA -0.281 3.856 4.120 0.027 0.000 0.248 645 V C 2.662 178.663 176.094 -0.155 0.000 1.051 645 V CA 2.064 64.249 62.300 -0.191 0.000 1.048 645 V CB -0.878 30.880 31.823 -0.108 0.000 0.666 645 V HN 0.747 nan 8.190 nan 0.000 0.456 646 Q N 0.282 120.071 119.800 -0.019 0.000 2.135 646 Q HA -0.294 4.062 4.340 0.027 0.000 0.204 646 Q C 2.211 178.216 176.000 0.009 0.000 0.981 646 Q CA 1.786 57.609 55.803 0.032 0.000 0.856 646 Q CB -0.007 28.785 28.738 0.089 0.000 0.902 646 Q HN 0.446 nan 8.270 nan 0.000 0.425 647 K N 0.251 120.653 120.400 0.005 0.000 2.217 647 K HA 0.003 4.339 4.320 0.027 0.000 0.202 647 K C 1.874 178.396 176.600 -0.130 0.000 1.051 647 K CA 0.682 56.919 56.287 -0.083 0.000 0.952 647 K CB -0.012 32.417 32.500 -0.117 0.000 0.736 647 K HN 0.250 nan 8.250 nan 0.000 0.453 648 L N 0.380 121.480 121.223 -0.206 0.000 2.270 648 L HA -0.028 4.328 4.340 0.027 0.000 0.210 648 L C 1.771 178.597 176.870 -0.074 0.000 1.104 648 L CA 0.502 55.170 54.840 -0.285 0.000 0.804 648 L CB -0.286 41.348 42.059 -0.710 0.000 0.937 648 L HN 0.082 nan 8.230 nan 0.000 0.450 649 E N 0.499 120.714 120.200 0.026 0.000 2.171 649 E HA -0.222 4.144 4.350 0.027 0.000 0.197 649 E C 2.084 178.802 176.600 0.198 0.000 0.997 649 E CA 1.701 58.272 56.400 0.284 0.000 0.810 649 E CB -0.238 29.574 29.700 0.187 0.000 0.738 649 E HN 0.523 nan 8.360 nan 0.000 0.467 650 S N 0.014 115.770 115.700 0.094 0.000 2.710 650 S HA 0.108 4.595 4.470 0.027 0.000 0.224 650 S C 0.713 175.358 174.600 0.075 0.000 0.948 650 S CA -0.252 57.986 58.200 0.063 0.000 0.949 650 S CB -0.348 62.857 63.200 0.008 0.000 0.778 650 S HN 0.034 nan 8.310 nan 0.000 0.498 651 L N 2.829 124.133 121.223 0.135 0.000 2.292 651 L HA 0.393 4.750 4.340 0.027 0.000 0.284 651 L C 0.625 177.594 176.870 0.164 0.000 1.065 651 L CA -0.632 54.299 54.840 0.151 0.000 0.806 651 L CB 1.213 43.398 42.059 0.210 0.000 1.175 651 L HN 0.501 nan 8.230 nan 0.000 0.431 652 E N 2.147 122.428 120.200 0.136 0.000 2.373 652 E HA 0.031 4.398 4.350 0.027 0.000 0.263 652 E C -0.299 176.399 176.600 0.163 0.000 1.073 652 E CA -0.779 55.698 56.400 0.128 0.000 0.894 652 E CB 1.068 30.826 29.700 0.098 0.000 1.008 652 E HN 0.503 nan 8.360 nan 0.000 0.420 653 D N 2.101 122.594 120.400 0.154 0.000 2.157 653 D HA -0.270 4.387 4.640 0.027 0.000 0.191 653 D C 1.278 177.708 176.300 0.217 0.000 1.004 653 D CA 2.106 56.208 54.000 0.171 0.000 0.854 653 D CB -0.473 40.425 40.800 0.164 0.000 0.936 653 D HN 0.721 nan 8.370 nan 0.000 0.446 654 D N 0.358 120.908 120.400 0.249 0.000 2.154 654 D HA -0.173 4.484 4.640 0.027 0.000 0.190 654 D C 1.445 177.946 176.300 0.335 0.000 1.003 654 D CA 1.613 55.798 54.000 0.308 0.000 0.849 654 D CB -0.008 40.934 40.800 0.236 0.000 0.942 654 D HN 0.098 nan 8.370 nan 0.000 0.446 655 D N -0.667 119.917 120.400 0.306 0.000 2.149 655 D HA -0.088 4.569 4.640 0.027 0.000 0.201 655 D C 2.341 178.872 176.300 0.385 0.000 0.972 655 D CA 0.440 54.653 54.000 0.355 0.000 0.835 655 D CB -0.137 40.836 40.800 0.289 0.000 0.966 655 D HN 0.185 nan 8.370 nan 0.000 0.476 656 V N 1.514 121.617 119.914 0.314 0.000 2.332 656 V HA -0.239 3.897 4.120 0.027 0.000 0.248 656 V C 2.681 178.919 176.094 0.239 0.000 1.055 656 V CA 1.210 63.695 62.300 0.308 0.000 1.038 656 V CB -0.536 31.434 31.823 0.246 0.000 0.651 656 V HN 0.185 nan 8.190 nan 0.000 0.450 657 L N -0.963 120.352 121.223 0.155 0.000 2.131 657 L HA -0.211 4.145 4.340 0.027 0.000 0.210 657 L C 2.470 179.295 176.870 -0.075 0.000 1.092 657 L CA 1.646 56.504 54.840 0.031 0.000 0.759 657 L CB -0.720 41.324 42.059 -0.025 0.000 0.903 657 L HN 0.407 nan 8.230 nan 0.000 0.435 658 H N -1.812 117.203 119.070 -0.093 0.000 2.389 658 H HA -0.143 4.430 4.556 0.028 0.000 0.299 658 H C 1.194 176.224 175.328 -0.498 0.000 1.081 658 H CA 1.935 57.760 56.048 -0.372 0.000 1.345 658 H CB 0.104 29.500 29.762 -0.610 0.000 1.393 658 H HN 0.318 nan 8.280 nan 0.000 0.520 659 Y N -1.402 118.993 120.300 0.160 0.000 2.467 659 Y HA 0.072 4.639 4.550 0.028 0.000 0.250 659 Y C 1.676 177.642 175.900 0.110 0.000 1.155 659 Y CA -0.405 57.758 58.100 0.105 0.000 1.249 659 Y CB 0.326 38.845 38.460 0.098 0.000 1.146 659 Y HN 0.089 nan 8.280 nan 0.000 0.524 660 L N 0.540 121.907 121.223 0.239 0.000 1.971 660 L HA -0.248 4.108 4.340 0.027 0.000 0.215 660 L C 2.282 179.302 176.870 0.251 0.000 1.072 660 L CA 1.723 56.727 54.840 0.273 0.000 0.758 660 L CB -0.959 41.271 42.059 0.284 0.000 0.889 660 L HN 0.327 nan 8.230 nan 0.000 0.433 661 L N -0.380 120.920 121.223 0.129 0.000 2.021 661 L HA -0.304 4.052 4.340 0.027 0.000 0.215 661 L C 2.478 179.259 176.870 -0.149 0.000 1.074 661 L CA 2.090 56.742 54.840 -0.313 0.000 0.760 661 L CB -0.805 40.867 42.059 -0.646 0.000 0.889 661 L HN 0.513 nan 8.230 nan 0.000 0.433 662 Q N -1.151 118.629 119.800 -0.033 0.000 2.230 662 Q HA -0.084 4.273 4.340 0.027 0.000 0.202 662 Q C 2.251 178.291 176.000 0.067 0.000 0.963 662 Q CA 1.190 57.003 55.803 0.016 0.000 0.866 662 Q CB -0.070 28.701 28.738 0.055 0.000 0.931 662 Q HN 0.557 nan 8.270 nan 0.000 0.452 663 L N -0.414 120.880 121.223 0.119 0.000 2.072 663 L HA -0.144 4.212 4.340 0.027 0.000 0.205 663 L C 2.279 179.216 176.870 0.111 0.000 1.079 663 L CA 0.629 55.552 54.840 0.138 0.000 0.752 663 L CB -0.416 41.768 42.059 0.209 0.000 0.906 663 L HN 0.060 nan 8.230 nan 0.000 0.436 664 V N -0.518 119.453 119.914 0.094 0.000 2.287 664 V HA -0.279 3.857 4.120 0.027 0.000 0.248 664 V C 2.580 178.680 176.094 0.010 0.000 1.053 664 V CA 1.563 63.895 62.300 0.054 0.000 1.027 664 V CB -0.528 31.305 31.823 0.017 0.000 0.646 664 V HN 0.480 nan 8.190 nan 0.000 0.447 665 Q N -0.180 119.575 119.800 -0.075 0.000 2.167 665 Q HA -0.075 4.281 4.340 0.027 0.000 0.202 665 Q C 2.374 178.212 176.000 -0.269 0.000 0.970 665 Q CA 1.641 57.353 55.803 -0.150 0.000 0.855 665 Q CB -0.669 27.972 28.738 -0.162 0.000 0.911 665 Q HN 0.663 nan 8.270 nan 0.000 0.438 666 A N 0.403 123.152 122.820 -0.119 0.000 2.125 666 A HA -0.082 4.255 4.320 0.027 0.000 0.219 666 A C 2.314 179.807 177.584 -0.151 0.000 1.156 666 A CA 0.884 52.882 52.037 -0.064 0.000 0.671 666 A CB -0.415 18.667 19.000 0.137 0.000 0.794 666 A HN 0.195 nan 8.150 nan 0.000 0.459 667 V N -0.007 119.837 119.914 -0.116 0.000 2.594 667 V HA -0.244 3.893 4.120 0.027 0.000 0.253 667 V C 2.273 178.140 176.094 -0.380 0.000 1.069 667 V CA 2.142 64.375 62.300 -0.112 0.000 1.082 667 V CB -0.572 31.298 31.823 0.079 0.000 0.680 667 V HN 0.572 nan 8.190 nan 0.000 0.469 668 K N -0.349 119.625 120.400 -0.711 0.000 2.280 668 K HA -0.098 4.238 4.320 0.027 0.000 0.202 668 K C 1.593 177.780 176.600 -0.688 0.000 1.047 668 K CA 1.404 56.995 56.287 -1.161 0.000 0.942 668 K CB -0.209 31.451 32.500 -1.401 0.000 0.739 668 K HN 0.538 nan 8.250 nan 0.000 0.457 669 F N 1.130 120.969 119.950 -0.185 0.000 2.765 669 F HA 0.097 4.642 4.527 0.029 0.000 0.302 669 F C 0.647 176.391 175.800 -0.094 0.000 1.111 669 F CA -0.403 57.531 58.000 -0.110 0.000 1.359 669 F CB 0.255 39.209 39.000 -0.077 0.000 1.097 669 F HN -0.211 nan 8.300 nan 0.000 0.577 670 E N 2.120 122.327 120.200 0.012 0.000 2.257 670 E HA 0.065 4.432 4.350 0.027 0.000 0.278 670 E C -1.606 174.955 176.600 -0.064 0.000 1.049 670 E CA -1.610 54.791 56.400 0.001 0.000 0.876 670 E CB 1.017 30.722 29.700 0.008 0.000 1.035 670 E HN 0.078 nan 8.360 nan 0.000 0.419 671 P HA -0.121 nan 4.420 nan 0.000 0.215 671 P C -0.304 176.660 177.300 -0.559 0.000 1.153 671 P CA 1.372 64.266 63.100 -0.343 0.000 0.853 671 P CB 0.113 31.583 31.700 -0.384 0.000 0.788 672 Y N -2.223 117.992 120.300 -0.141 0.000 2.420 672 Y HA 0.227 4.794 4.550 0.027 0.000 0.334 672 Y C 2.079 177.902 175.900 -0.127 0.000 1.094 672 Y CA -0.645 57.343 58.100 -0.187 0.000 1.126 672 Y CB 0.460 38.859 38.460 -0.102 0.000 1.217 672 Y HN -0.052 nan 8.280 nan 0.000 0.462 673 H N -0.412 118.732 119.070 0.123 0.000 2.422 673 H HA -0.133 4.440 4.556 0.028 0.000 0.298 673 H C 0.047 175.429 175.328 0.090 0.000 1.098 673 H CA 1.394 57.475 56.048 0.055 0.000 1.315 673 H CB 0.150 29.927 29.762 0.026 0.000 1.382 673 H HN 0.547 nan 8.280 nan 0.000 0.523 674 D N 1.162 121.716 120.400 0.256 0.000 2.329 674 D HA 0.207 4.864 4.640 0.027 0.000 0.232 674 D C -0.382 176.018 176.300 0.166 0.000 1.088 674 D CA -0.163 53.954 54.000 0.195 0.000 0.835 674 D CB 1.106 42.030 40.800 0.207 0.000 1.078 674 D HN 0.262 nan 8.370 nan 0.000 0.495 675 S N 1.614 117.396 115.700 0.137 0.000 2.651 675 S HA 0.626 5.113 4.470 0.027 0.000 0.279 675 S C 0.944 175.612 174.600 0.113 0.000 1.148 675 S CA -0.311 57.959 58.200 0.117 0.000 0.837 675 S CB 1.372 64.638 63.200 0.110 0.000 1.138 675 S HN 0.299 nan 8.310 nan 0.000 0.478 676 A N 0.412 123.292 122.820 0.099 0.000 1.978 676 A HA -0.005 4.331 4.320 0.027 0.000 0.220 676 A C 1.955 179.631 177.584 0.152 0.000 1.170 676 A CA 1.792 53.894 52.037 0.108 0.000 0.636 676 A CB -0.969 18.073 19.000 0.070 0.000 0.810 676 A HN 0.987 nan 8.150 nan 0.000 0.448 677 L N -0.500 120.803 121.223 0.132 0.000 2.044 677 L HA 0.063 4.419 4.340 0.027 0.000 0.205 677 L C 2.690 179.690 176.870 0.218 0.000 1.075 677 L CA 2.105 57.046 54.840 0.169 0.000 0.747 677 L CB -0.815 41.309 42.059 0.108 0.000 0.903 677 L HN 0.305 nan 8.230 nan 0.000 0.435 678 A N -0.234 122.684 122.820 0.164 0.000 1.940 678 A HA -0.235 4.101 4.320 0.027 0.000 0.219 678 A C 2.400 180.075 177.584 0.152 0.000 1.176 678 A CA 1.974 54.105 52.037 0.156 0.000 0.631 678 A CB -0.577 18.503 19.000 0.133 0.000 0.814 678 A HN 0.538 nan 8.150 nan 0.000 0.446 679 R N -2.201 118.391 120.500 0.153 0.000 2.090 679 R HA -0.017 4.340 4.340 0.027 0.000 0.228 679 R C 1.998 178.386 176.300 0.147 0.000 1.110 679 R CA 1.310 57.489 56.100 0.132 0.000 0.973 679 R CB -0.444 29.928 30.300 0.120 0.000 0.869 679 R HN 0.596 nan 8.270 nan 0.000 0.440 680 F N 1.750 121.742 119.950 0.071 0.000 2.134 680 F HA -0.137 4.407 4.527 0.029 0.000 0.299 680 F C 1.847 177.693 175.800 0.077 0.000 1.097 680 F CA 1.366 59.409 58.000 0.071 0.000 1.264 680 F CB -0.154 38.887 39.000 0.067 0.000 1.001 680 F HN -0.121 nan 8.300 nan 0.000 0.479 681 L N -0.268 121.042 121.223 0.145 0.000 2.042 681 L HA -0.261 4.096 4.340 0.027 0.000 0.210 681 L C 2.627 179.474 176.870 -0.039 0.000 1.076 681 L CA 1.121 55.991 54.840 0.050 0.000 0.749 681 L CB -0.862 41.280 42.059 0.139 0.000 0.893 681 L HN 0.287 nan 8.230 nan 0.000 0.432 682 L N -0.032 121.205 121.223 0.023 0.000 1.976 682 L HA -0.250 4.107 4.340 0.027 0.000 0.209 682 L C 2.779 179.670 176.870 0.035 0.000 1.071 682 L CA 1.762 56.642 54.840 0.066 0.000 0.746 682 L CB -0.342 41.770 42.059 0.088 0.000 0.890 682 L HN 0.301 nan 8.230 nan 0.000 0.432 683 K N -0.671 119.708 120.400 -0.035 0.000 2.074 683 K HA -0.214 4.123 4.320 0.027 0.000 0.209 683 K C 2.059 178.596 176.600 -0.105 0.000 1.048 683 K CA 1.278 57.526 56.287 -0.064 0.000 0.926 683 K CB -0.106 32.345 32.500 -0.082 0.000 0.713 683 K HN 0.272 nan 8.250 nan 0.000 0.444 684 R N -0.191 120.161 120.500 -0.246 0.000 2.092 684 R HA -0.049 4.308 4.340 0.027 0.000 0.231 684 R C 2.392 178.666 176.300 -0.042 0.000 1.119 684 R CA 1.316 57.288 56.100 -0.213 0.000 0.970 684 R CB -1.270 28.785 30.300 -0.408 0.000 0.864 684 R HN 0.375 nan 8.270 nan 0.000 0.440 685 G N 1.118 109.907 108.800 -0.017 0.000 2.421 685 G HA2 -0.194 3.783 3.960 0.027 0.000 0.216 685 G HA3 -0.194 3.783 3.960 0.027 0.000 0.216 685 G C 1.552 176.668 174.900 0.361 0.000 1.171 685 G CA 0.331 45.450 45.100 0.032 0.000 0.775 685 G HN 0.221 nan 8.290 nan 0.000 0.543 686 L N -0.234 121.205 121.223 0.360 0.000 2.265 686 L HA 0.046 4.402 4.340 0.027 0.000 0.215 686 L C 2.798 179.754 176.870 0.142 0.000 1.117 686 L CA 0.716 55.709 54.840 0.254 0.000 0.782 686 L CB -0.163 41.952 42.059 0.093 0.000 0.914 686 L HN 0.175 nan 8.230 nan 0.000 0.441 687 R N -0.189 120.401 120.500 0.149 0.000 2.254 687 R HA 0.025 4.381 4.340 0.027 0.000 0.195 687 R C 0.287 176.773 176.300 0.310 0.000 0.957 687 R CA 0.250 56.434 56.100 0.141 0.000 1.024 687 R CB 0.415 30.757 30.300 0.071 0.000 0.952 687 R HN 0.230 nan 8.270 nan 0.000 0.484 688 N N 0.224 119.119 118.700 0.326 0.000 2.455 688 N HA 0.053 4.810 4.740 0.027 0.000 0.285 688 N C -0.539 175.068 175.510 0.162 0.000 1.080 688 N CA -0.255 52.939 53.050 0.240 0.000 0.932 688 N CB 1.735 40.314 38.487 0.153 0.000 1.610 688 N HN -0.109 nan 8.380 nan 0.000 0.493 689 K N 1.705 122.094 120.400 -0.018 0.000 2.209 689 K HA -0.075 4.261 4.320 0.027 0.000 0.204 689 K C 1.679 178.186 176.600 -0.154 0.000 1.048 689 K CA 0.828 57.027 56.287 -0.147 0.000 0.940 689 K CB 0.433 32.651 32.500 -0.470 0.000 0.729 689 K HN 0.456 nan 8.250 nan 0.000 0.451 690 R N 1.247 121.653 120.500 -0.156 0.000 2.062 690 R HA -0.023 4.333 4.340 0.027 0.000 0.229 690 R C 2.215 178.519 176.300 0.005 0.000 1.128 690 R CA 1.066 57.067 56.100 -0.166 0.000 0.960 690 R CB -0.119 30.038 30.300 -0.237 0.000 0.855 690 R HN 0.095 nan 8.270 nan 0.000 0.432 691 I N 0.026 120.615 120.570 0.031 0.000 2.226 691 I HA -0.181 4.006 4.170 0.027 0.000 0.245 691 I C 2.440 178.530 176.117 -0.045 0.000 1.100 691 I CA 1.436 62.759 61.300 0.038 0.000 1.374 691 I CB -0.609 37.413 38.000 0.036 0.000 1.057 691 I HN 0.408 nan 8.210 nan 0.000 0.413 692 G N -0.129 108.658 108.800 -0.022 0.000 2.440 692 G HA2 -0.345 3.631 3.960 0.027 0.000 0.218 692 G HA3 -0.345 3.631 3.960 0.027 0.000 0.218 692 G C 1.476 176.336 174.900 -0.066 0.000 1.154 692 G CA 1.370 46.406 45.100 -0.106 0.000 0.767 692 G HN 0.462 nan 8.290 nan 0.000 0.552 693 H N -0.273 118.780 119.070 -0.028 0.000 2.293 693 H HA -0.005 4.567 4.556 0.027 0.000 0.300 693 H C 2.247 177.502 175.328 -0.121 0.000 1.082 693 H CA 1.825 57.874 56.048 0.003 0.000 1.308 693 H CB -0.336 29.227 29.762 -0.331 0.000 1.375 693 H HN 0.358 nan 8.280 nan 0.000 0.495 694 F N -0.474 119.410 119.950 -0.110 0.000 2.186 694 F HA -0.117 4.427 4.527 0.028 0.000 0.299 694 F C 2.416 177.637 175.800 -0.966 0.000 1.090 694 F CA 0.662 58.303 58.000 -0.598 0.000 1.307 694 F CB -0.273 38.296 39.000 -0.718 0.000 1.019 694 F HN 0.232 nan 8.300 nan 0.000 0.489 695 L N -0.169 120.787 121.223 -0.446 0.000 2.042 695 L HA -0.242 4.114 4.340 0.027 0.000 0.210 695 L C 2.174 178.796 176.870 -0.413 0.000 1.076 695 L CA 1.633 56.237 54.840 -0.394 0.000 0.749 695 L CB -1.011 40.797 42.059 -0.419 0.000 0.893 695 L HN 0.187 nan 8.230 nan 0.000 0.432 696 F N -0.740 118.828 119.950 -0.637 0.000 2.026 696 F HA -0.268 4.275 4.527 0.028 0.000 0.296 696 F C 1.926 177.359 175.800 -0.612 0.000 1.133 696 F CA 2.089 59.645 58.000 -0.740 0.000 1.188 696 F CB -0.798 37.482 39.000 -1.200 0.000 0.968 696 F HN 0.115 nan 8.300 nan 0.000 0.476 697 W N 0.077 121.192 121.300 -0.308 0.000 2.342 697 W HA -0.179 4.497 4.660 0.027 0.000 0.297 697 W C 2.500 178.985 176.519 -0.057 0.000 1.213 697 W CA 1.607 58.836 57.345 -0.193 0.000 1.251 697 W CB -0.887 28.572 29.460 -0.002 0.000 1.136 697 W HN 0.078 nan 8.180 nan 0.000 0.526 698 F N -0.300 119.634 119.950 -0.027 0.000 2.075 698 F HA -0.235 4.309 4.527 0.028 0.000 0.297 698 F C 2.203 177.806 175.800 -0.329 0.000 1.113 698 F CA 0.659 58.581 58.000 -0.130 0.000 1.218 698 F CB -0.998 37.935 39.000 -0.112 0.000 0.984 698 F HN -0.202 nan 8.300 nan 0.000 0.472 699 L N -0.027 121.049 121.223 -0.245 0.000 2.017 699 L HA -0.225 4.131 4.340 0.027 0.000 0.208 699 L C 2.576 179.206 176.870 -0.401 0.000 1.073 699 L CA 1.253 55.825 54.840 -0.446 0.000 0.745 699 L CB -0.698 41.145 42.059 -0.359 0.000 0.894 699 L HN 0.061 nan 8.230 nan 0.000 0.432 700 R N -0.426 119.781 120.500 -0.490 0.000 2.105 700 R HA -0.205 4.151 4.340 0.027 0.000 0.239 700 R C 2.618 178.804 176.300 -0.190 0.000 1.135 700 R CA 1.749 57.575 56.100 -0.458 0.000 0.967 700 R CB -0.244 29.553 30.300 -0.838 0.000 0.861 700 R HN 0.240 nan 8.270 nan 0.000 0.442 701 S N 0.129 115.775 115.700 -0.091 0.000 2.368 701 S HA -0.135 4.351 4.470 0.027 0.000 0.225 701 S C 1.652 176.219 174.600 -0.056 0.000 1.030 701 S CA 1.239 59.435 58.200 -0.006 0.000 0.999 701 S CB -0.072 63.152 63.200 0.041 0.000 0.844 701 S HN 0.321 nan 8.310 nan 0.000 0.459 702 E N 0.938 121.047 120.200 -0.151 0.000 2.072 702 E HA -0.007 4.359 4.350 0.027 0.000 0.191 702 E C 2.055 178.664 176.600 0.014 0.000 0.985 702 E CA 0.830 57.162 56.400 -0.112 0.000 0.801 702 E CB -0.471 29.000 29.700 -0.381 0.000 0.750 702 E HN 0.601 nan 8.360 nan 0.000 0.452 703 I N 1.026 121.578 120.570 -0.030 0.000 2.264 703 I HA -0.257 3.929 4.170 0.027 0.000 0.248 703 I C 2.287 178.413 176.117 0.016 0.000 1.111 703 I CA 1.264 62.562 61.300 -0.004 0.000 1.382 703 I CB -0.235 37.736 38.000 -0.049 0.000 1.060 703 I HN -0.012 nan 8.210 nan 0.000 0.418 704 A N 0.094 122.925 122.820 0.017 0.000 2.119 704 A HA -0.143 4.193 4.320 0.027 0.000 0.216 704 A C 2.034 179.657 177.584 0.066 0.000 1.152 704 A CA 1.302 53.369 52.037 0.051 0.000 0.708 704 A CB -0.288 18.744 19.000 0.053 0.000 0.805 704 A HN 0.667 nan 8.150 nan 0.000 0.460 705 Q N -1.670 118.166 119.800 0.060 0.000 2.113 705 Q HA 0.249 4.606 4.340 0.027 0.000 0.225 705 Q C -0.006 176.047 176.000 0.088 0.000 0.786 705 Q CA 0.432 56.278 55.803 0.070 0.000 0.989 705 Q CB 0.125 28.895 28.738 0.054 0.000 1.174 705 Q HN 0.314 nan 8.270 nan 0.000 0.470 706 S N 0.748 116.509 115.700 0.102 0.000 2.669 706 S HA 0.393 4.879 4.470 0.027 0.000 0.315 706 S C 0.430 175.097 174.600 0.111 0.000 1.106 706 S CA -0.713 57.574 58.200 0.145 0.000 1.107 706 S CB 0.995 64.313 63.200 0.196 0.000 0.990 706 S HN 0.359 nan 8.310 nan 0.000 0.471 707 R N 2.531 123.089 120.500 0.096 0.000 2.193 707 R HA -0.005 4.352 4.340 0.027 0.000 0.213 707 R C 0.959 177.217 176.300 -0.069 0.000 1.055 707 R CA 1.121 57.253 56.100 0.054 0.000 0.995 707 R CB -0.370 30.030 30.300 0.167 0.000 0.893 707 R HN 0.731 nan 8.270 nan 0.000 0.459 708 H N -1.029 117.834 119.070 -0.344 0.000 2.423 708 H HA -0.075 4.497 4.556 0.028 0.000 0.297 708 H C 0.643 175.565 175.328 -0.677 0.000 1.075 708 H CA 1.380 56.996 56.048 -0.721 0.000 1.342 708 H CB 0.053 29.291 29.762 -0.873 0.000 1.395 708 H HN 0.229 nan 8.280 nan 0.000 0.530 709 Y N 0.112 120.383 120.300 -0.049 0.000 2.563 709 Y HA 0.030 4.596 4.550 0.027 0.000 0.250 709 Y C 2.106 177.911 175.900 -0.159 0.000 1.126 709 Y CA -0.340 57.658 58.100 -0.169 0.000 1.231 709 Y CB 0.464 38.766 38.460 -0.263 0.000 1.288 709 Y HN 0.201 nan 8.280 nan 0.000 0.537 710 Q N 0.734 120.527 119.800 -0.011 0.000 2.077 710 Q HA -0.295 4.061 4.340 0.027 0.000 0.206 710 Q C 1.056 176.846 176.000 -0.349 0.000 0.989 710 Q CA 2.295 58.013 55.803 -0.142 0.000 0.853 710 Q CB -0.282 28.301 28.738 -0.258 0.000 0.907 710 Q HN 0.470 nan 8.270 nan 0.000 0.418 711 Q N 0.916 120.448 119.800 -0.446 0.000 1.985 711 Q HA -0.183 4.174 4.340 0.027 0.000 0.207 711 Q C 2.263 178.093 176.000 -0.284 0.000 0.996 711 Q CA 2.271 57.829 55.803 -0.408 0.000 0.851 711 Q CB -0.412 28.158 28.738 -0.281 0.000 0.921 711 Q HN 0.456 nan 8.270 nan 0.000 0.418 712 R N -0.004 120.307 120.500 -0.315 0.000 2.096 712 R HA -0.190 4.167 4.340 0.027 0.000 0.240 712 R C 2.062 178.278 176.300 -0.141 0.000 1.139 712 R CA 1.753 57.681 56.100 -0.287 0.000 0.952 712 R CB -0.402 29.793 30.300 -0.175 0.000 0.854 712 R HN 0.314 nan 8.270 nan 0.000 0.436 713 F N 0.214 120.124 119.950 -0.068 0.000 2.186 713 F HA -0.078 4.465 4.527 0.027 0.000 0.299 713 F C 2.618 178.358 175.800 -0.101 0.000 1.090 713 F CA 0.425 58.380 58.000 -0.076 0.000 1.307 713 F CB -0.137 38.816 39.000 -0.078 0.000 1.019 713 F HN 0.240 nan 8.300 nan 0.000 0.489 714 A N -0.216 122.629 122.820 0.042 0.000 1.969 714 A HA -0.111 4.225 4.320 0.027 0.000 0.218 714 A C 2.171 179.775 177.584 0.032 0.000 1.169 714 A CA 1.516 53.568 52.037 0.026 0.000 0.635 714 A CB -1.002 18.036 19.000 0.064 0.000 0.810 714 A HN 0.188 nan 8.150 nan 0.000 0.445 715 V N 0.016 119.936 119.914 0.009 0.000 2.548 715 V HA -0.188 3.948 4.120 0.027 0.000 0.249 715 V C 2.284 178.400 176.094 0.036 0.000 1.055 715 V CA 1.687 63.990 62.300 0.006 0.000 1.065 715 V CB -0.612 31.189 31.823 -0.036 0.000 0.681 715 V HN 0.567 nan 8.190 nan 0.000 0.462 716 I N -0.824 119.788 120.570 0.070 0.000 2.333 716 I HA -0.171 4.015 4.170 0.027 0.000 0.246 716 I C 2.352 178.519 176.117 0.084 0.000 1.106 716 I CA 1.214 62.572 61.300 0.097 0.000 1.411 716 I CB -0.264 37.829 38.000 0.155 0.000 1.082 716 I HN 0.227 nan 8.210 nan 0.000 0.420 717 L N 0.798 122.047 121.223 0.043 0.000 1.989 717 L HA -0.262 4.094 4.340 0.027 0.000 0.211 717 L C 2.721 179.618 176.870 0.044 0.000 1.071 717 L CA 1.789 56.632 54.840 0.006 0.000 0.749 717 L CB -0.413 41.578 42.059 -0.112 0.000 0.890 717 L HN 0.357 nan 8.230 nan 0.000 0.431 718 E N -0.197 120.009 120.200 0.010 0.000 2.085 718 E HA -0.284 4.083 4.350 0.027 0.000 0.194 718 E C 2.026 178.626 176.600 -0.001 0.000 0.994 718 E CA 1.429 57.818 56.400 -0.019 0.000 0.801 718 E CB 0.008 29.691 29.700 -0.029 0.000 0.743 718 E HN 0.565 nan 8.360 nan 0.000 0.453 719 A N 0.477 123.317 122.820 0.034 0.000 1.883 719 A HA -0.229 4.108 4.320 0.027 0.000 0.217 719 A C 2.081 179.700 177.584 0.059 0.000 1.186 719 A CA 1.681 53.744 52.037 0.043 0.000 0.624 719 A CB -1.048 17.988 19.000 0.059 0.000 0.822 719 A HN 0.579 nan 8.150 nan 0.000 0.444 720 Y N 0.627 120.927 120.300 0.000 0.000 2.145 720 Y HA -0.144 4.423 4.550 0.028 0.000 0.286 720 Y C 1.884 177.803 175.900 0.032 0.000 1.145 720 Y CA 1.910 60.017 58.100 0.012 0.000 1.148 720 Y CB -0.351 38.107 38.460 -0.004 0.000 0.981 720 Y HN 0.206 nan 8.280 nan 0.000 0.507 721 L N 0.045 121.192 121.223 -0.127 0.000 2.275 721 L HA -0.142 4.215 4.340 0.027 0.000 0.215 721 L C 1.909 178.730 176.870 -0.082 0.000 1.119 721 L CA 1.089 55.843 54.840 -0.144 0.000 0.790 721 L CB -0.419 41.612 42.059 -0.047 0.000 0.919 721 L HN 0.097 nan 8.230 nan 0.000 0.443 722 R N -0.101 120.369 120.500 -0.051 0.000 2.363 722 R HA 0.105 4.461 4.340 0.027 0.000 0.236 722 R C 1.286 177.589 176.300 0.006 0.000 0.966 722 R CA 0.495 56.628 56.100 0.056 0.000 1.100 722 R CB 0.210 30.547 30.300 0.062 0.000 1.125 722 R HN 0.358 nan 8.270 nan 0.000 0.514 723 G N -0.732 108.008 108.800 -0.099 0.000 3.155 723 G HA2 -0.121 3.856 3.960 0.027 0.000 0.193 723 G HA3 -0.121 3.856 3.960 0.027 0.000 0.193 723 G C 1.187 175.988 174.900 -0.164 0.000 1.215 723 G CA -0.046 44.983 45.100 -0.119 0.000 0.917 723 G HN 0.407 nan 8.290 nan 0.000 0.756 724 C N 0.162 119.305 119.300 -0.261 0.000 2.432 724 C HA 0.530 5.007 4.460 0.027 0.000 0.280 724 C C 1.569 176.615 174.990 0.093 0.000 1.353 724 C CA 0.340 59.281 59.018 -0.129 0.000 1.766 724 C CB -1.131 26.427 27.740 -0.304 0.000 1.924 724 C HN 1.587 nan 8.230 nan 0.000 0.509 725 G N -0.430 108.392 108.800 0.037 0.000 2.515 725 G HA2 0.161 4.137 3.960 0.027 0.000 0.686 725 G HA3 0.161 4.137 3.960 0.027 0.000 0.686 725 G C 0.292 175.227 174.900 0.058 0.000 1.274 725 G CA 0.326 45.464 45.100 0.063 0.000 0.874 725 G HN 1.060 nan 8.290 nan 0.000 0.631 726 T N -1.695 112.885 114.554 0.043 0.000 2.915 726 T HA 0.255 4.622 4.350 0.027 0.000 0.269 726 T C 2.603 177.340 174.700 0.063 0.000 1.071 726 T CA 2.415 64.546 62.100 0.052 0.000 1.132 726 T CB -0.261 68.615 68.868 0.012 0.000 0.878 726 T HN 2.116 nan 8.240 nan 0.000 0.479 727 A N 2.420 125.262 122.820 0.037 0.000 1.849 727 A HA 0.002 4.339 4.320 0.027 0.000 0.217 727 A C 2.622 180.184 177.584 -0.036 0.000 1.202 727 A CA 2.023 54.071 52.037 0.019 0.000 0.629 727 A CB -0.921 18.076 19.000 -0.005 0.000 0.834 727 A HN 0.539 nan 8.150 nan 0.000 0.447 728 M N -1.086 118.452 119.600 -0.102 0.000 2.159 728 M HA -0.082 4.415 4.480 0.027 0.000 0.263 728 M C 2.317 178.480 176.300 -0.228 0.000 1.063 728 M CA 1.174 56.294 55.300 -0.300 0.000 1.110 728 M CB -0.623 31.842 32.600 -0.225 0.000 1.374 728 M HN 0.432 nan 8.290 nan 0.000 0.411 729 L N -0.561 120.679 121.223 0.029 0.000 2.013 729 L HA -0.300 4.057 4.340 0.027 0.000 0.212 729 L C 2.698 179.618 176.870 0.083 0.000 1.073 729 L CA 1.882 56.800 54.840 0.130 0.000 0.753 729 L CB -0.643 41.515 42.059 0.165 0.000 0.890 729 L HN 0.358 nan 8.230 nan 0.000 0.432 730 H N -0.753 118.313 119.070 -0.007 0.000 2.357 730 H HA -0.214 4.359 4.556 0.027 0.000 0.301 730 H C 1.869 177.162 175.328 -0.059 0.000 1.082 730 H CA 2.108 58.147 56.048 -0.015 0.000 1.342 730 H CB -0.143 29.607 29.762 -0.019 0.000 1.389 730 H HN 0.359 nan 8.280 nan 0.000 0.511 731 D N -0.692 119.487 120.400 -0.367 0.000 2.123 731 D HA -0.185 4.472 4.640 0.027 0.000 0.196 731 D C 1.824 177.869 176.300 -0.425 0.000 0.992 731 D CA 1.403 55.127 54.000 -0.460 0.000 0.833 731 D CB -0.402 40.153 40.800 -0.408 0.000 0.954 731 D HN 0.471 nan 8.370 nan 0.000 0.455 732 F N 0.090 119.846 119.950 -0.325 0.000 2.234 732 F HA -0.115 4.429 4.527 0.027 0.000 0.299 732 F C 2.586 178.211 175.800 -0.293 0.000 1.087 732 F CA 1.124 58.839 58.000 -0.475 0.000 1.340 732 F CB -0.390 38.082 39.000 -0.880 0.000 1.031 732 F HN -0.026 nan 8.300 nan 0.000 0.500 733 T N -0.641 113.876 114.554 -0.061 0.000 2.708 733 T HA -0.240 4.127 4.350 0.027 0.000 0.266 733 T C 1.886 176.556 174.700 -0.050 0.000 1.037 733 T CA 1.284 63.364 62.100 -0.034 0.000 1.146 733 T CB -0.390 68.476 68.868 -0.004 0.000 0.865 733 T HN 0.298 nan 8.240 nan 0.000 0.435 734 Q N 0.781 120.489 119.800 -0.153 0.000 2.045 734 Q HA -0.207 4.150 4.340 0.027 0.000 0.206 734 Q C 2.658 178.658 176.000 0.001 0.000 0.991 734 Q CA 1.675 57.424 55.803 -0.089 0.000 0.851 734 Q CB -0.236 28.423 28.738 -0.132 0.000 0.911 734 Q HN 0.651 nan 8.270 nan 0.000 0.418 735 Q N -0.372 119.478 119.800 0.083 0.000 2.045 735 Q HA -0.189 4.167 4.340 0.027 0.000 0.206 735 Q C 2.242 178.405 176.000 0.271 0.000 0.991 735 Q CA 1.978 57.934 55.803 0.255 0.000 0.851 735 Q CB -0.305 28.718 28.738 0.474 0.000 0.911 735 Q HN 0.237 nan 8.270 nan 0.000 0.418 736 V N 1.312 121.371 119.914 0.243 0.000 2.287 736 V HA -0.318 3.819 4.120 0.027 0.000 0.248 736 V C 2.285 178.457 176.094 0.130 0.000 1.053 736 V CA 2.107 64.544 62.300 0.228 0.000 1.027 736 V CB -0.849 31.066 31.823 0.154 0.000 0.646 736 V HN 0.389 nan 8.190 nan 0.000 0.447 737 Q N -0.328 119.505 119.800 0.056 0.000 2.045 737 Q HA -0.214 4.143 4.340 0.027 0.000 0.206 737 Q C 2.379 178.356 176.000 -0.039 0.000 0.991 737 Q CA 2.302 58.112 55.803 0.011 0.000 0.851 737 Q CB -0.532 28.204 28.738 -0.002 0.000 0.911 737 Q HN 0.576 nan 8.270 nan 0.000 0.418 738 V N 1.578 121.410 119.914 -0.135 0.000 2.220 738 V HA -0.302 3.835 4.120 0.027 0.000 0.246 738 V C 2.383 178.364 176.094 -0.188 0.000 1.049 738 V CA 2.172 64.282 62.300 -0.317 0.000 1.003 738 V CB -0.890 30.394 31.823 -0.898 0.000 0.634 738 V HN 0.511 nan 8.190 nan 0.000 0.444 739 I N -0.443 120.105 120.570 -0.038 0.000 2.264 739 I HA -0.224 3.962 4.170 0.027 0.000 0.248 739 I C 2.247 178.464 176.117 0.167 0.000 1.111 739 I CA 2.119 63.517 61.300 0.164 0.000 1.382 739 I CB -0.692 37.508 38.000 0.334 0.000 1.060 739 I HN 0.293 nan 8.210 nan 0.000 0.418 740 E N 0.564 120.843 120.200 0.131 0.000 2.077 740 E HA -0.194 4.173 4.350 0.027 0.000 0.193 740 E C 2.231 178.861 176.600 0.050 0.000 0.989 740 E CA 1.845 58.310 56.400 0.109 0.000 0.800 740 E CB -0.196 29.559 29.700 0.091 0.000 0.746 740 E HN 0.553 nan 8.360 nan 0.000 0.452 741 M N -0.187 119.413 119.600 -0.001 0.000 2.080 741 M HA -0.203 4.294 4.480 0.027 0.000 0.260 741 M C 2.044 178.301 176.300 -0.072 0.000 1.068 741 M CA 1.413 56.692 55.300 -0.036 0.000 1.109 741 M CB -0.205 32.358 32.600 -0.062 0.000 1.342 741 M HN 0.181 nan 8.290 nan 0.000 0.405 742 L N -0.632 120.498 121.223 -0.155 0.000 2.376 742 L HA -0.177 4.179 4.340 0.027 0.000 0.219 742 L C 2.463 179.215 176.870 -0.197 0.000 1.133 742 L CA 0.741 55.381 54.840 -0.334 0.000 0.816 742 L CB -0.621 40.933 42.059 -0.841 0.000 0.933 742 L HN 0.402 nan 8.230 nan 0.000 0.449 743 Q N 0.116 119.932 119.800 0.027 0.000 2.096 743 Q HA -0.175 4.181 4.340 0.027 0.000 0.197 743 Q C 2.112 178.172 176.000 0.101 0.000 0.964 743 Q CA 0.936 56.839 55.803 0.167 0.000 0.838 743 Q CB -0.038 28.831 28.738 0.219 0.000 0.906 743 Q HN 0.407 nan 8.270 nan 0.000 0.444 744 K N 0.820 121.253 120.400 0.055 0.000 2.063 744 K HA -0.138 4.198 4.320 0.027 0.000 0.208 744 K C 2.099 178.712 176.600 0.022 0.000 1.048 744 K CA 1.130 57.438 56.287 0.036 0.000 0.928 744 K CB 0.040 32.554 32.500 0.024 0.000 0.713 744 K HN -0.001 nan 8.250 nan 0.000 0.442 745 V N 0.999 120.914 119.914 0.002 0.000 2.252 745 V HA -0.305 3.831 4.120 0.027 0.000 0.249 745 V C 2.215 178.321 176.094 0.020 0.000 1.056 745 V CA 2.440 64.736 62.300 -0.007 0.000 1.022 745 V CB -1.014 30.780 31.823 -0.047 0.000 0.641 745 V HN 0.445 nan 8.190 nan 0.000 0.445 746 T N 0.820 115.404 114.554 0.051 0.000 2.635 746 T HA -0.223 4.143 4.350 0.027 0.000 0.267 746 T C 1.890 176.637 174.700 0.078 0.000 1.040 746 T CA 2.076 64.243 62.100 0.112 0.000 1.156 746 T CB -0.453 68.549 68.868 0.223 0.000 0.863 746 T HN 0.318 nan 8.240 nan 0.000 0.430 747 L N 0.805 122.060 121.223 0.052 0.000 2.046 747 L HA -0.098 4.259 4.340 0.027 0.000 0.208 747 L C 2.568 179.428 176.870 -0.017 0.000 1.077 747 L CA 1.203 56.034 54.840 -0.016 0.000 0.747 747 L CB -0.567 41.476 42.059 -0.027 0.000 0.896 747 L HN 0.147 nan 8.230 nan 0.000 0.432 748 D N 0.106 120.507 120.400 0.002 0.000 2.117 748 D HA -0.142 4.515 4.640 0.027 0.000 0.198 748 D C 2.258 178.562 176.300 0.005 0.000 0.982 748 D CA 1.331 55.331 54.000 0.001 0.000 0.828 748 D CB -0.049 40.753 40.800 0.003 0.000 0.967 748 D HN 0.254 nan 8.370 nan 0.000 0.464 749 I N 0.938 121.518 120.570 0.016 0.000 2.315 749 I HA -0.190 3.997 4.170 0.027 0.000 0.248 749 I C 2.327 178.457 176.117 0.022 0.000 1.117 749 I CA 0.951 62.264 61.300 0.022 0.000 1.404 749 I CB -0.047 37.974 38.000 0.035 0.000 1.071 749 I HN -0.130 nan 8.210 nan 0.000 0.419 750 K N 0.268 120.680 120.400 0.021 0.000 2.152 750 K HA -0.147 4.190 4.320 0.027 0.000 0.206 750 K C 2.043 178.643 176.600 0.000 0.000 1.048 750 K CA 1.243 57.539 56.287 0.015 0.000 0.933 750 K CB -0.070 32.428 32.500 -0.004 0.000 0.721 750 K HN 0.156 nan 8.250 nan 0.000 0.447 751 S N 0.648 116.343 115.700 -0.009 0.000 2.571 751 S HA -0.064 4.422 4.470 0.027 0.000 0.245 751 S C 0.398 174.997 174.600 -0.000 0.000 0.976 751 S CA 0.657 58.852 58.200 -0.009 0.000 0.954 751 S CB -0.247 62.947 63.200 -0.010 0.000 0.756 751 S HN 0.273 nan 8.310 nan 0.000 0.535 752 L N 0.732 121.958 121.223 0.005 0.000 2.679 752 L HA 0.590 4.947 4.340 0.027 0.000 0.238 752 L C -0.102 176.774 176.870 0.009 0.000 1.330 752 L CA -0.490 54.354 54.840 0.007 0.000 0.935 752 L CB 0.376 42.439 42.059 0.006 0.000 1.243 752 L HN 0.018 nan 8.230 nan 0.000 0.484 761 S N 2.149 117.847 115.700 -0.003 0.000 2.392 761 S HA -0.256 4.230 4.470 0.027 0.000 0.232 761 S C 1.663 176.262 174.600 -0.002 0.000 1.041 761 S CA 1.559 59.757 58.200 -0.004 0.000 1.026 761 S CB -0.849 62.348 63.200 -0.004 0.000 0.845 761 S HN 0.752 nan 8.310 nan 0.000 0.465 762 Q N 0.549 120.349 119.800 -0.001 0.000 2.135 762 Q HA -0.067 4.289 4.340 0.027 0.000 0.204 762 Q C 2.472 178.473 176.000 0.002 0.000 0.981 762 Q CA 1.692 57.495 55.803 0.001 0.000 0.856 762 Q CB -0.474 28.265 28.738 0.001 0.000 0.902 762 Q HN 0.653 nan 8.270 nan 0.000 0.425 763 V N 0.984 120.900 119.914 0.003 0.000 2.283 763 V HA -0.240 3.896 4.120 0.027 0.000 0.243 763 V C 2.305 178.403 176.094 0.006 0.000 1.039 763 V CA 1.390 63.694 62.300 0.006 0.000 1.016 763 V CB -0.656 31.172 31.823 0.009 0.000 0.650 763 V HN 0.296 nan 8.190 nan 0.000 0.449 764 I N 0.611 121.184 120.570 0.004 0.000 2.300 764 I HA -0.303 3.883 4.170 0.027 0.000 0.252 764 I C 2.672 178.790 176.117 0.002 0.000 1.119 764 I CA 1.774 63.075 61.300 0.002 0.000 1.384 764 I CB -0.671 37.327 38.000 -0.003 0.000 1.062 764 I HN 0.356 nan 8.210 nan 0.000 0.426 765 S N 0.841 116.542 115.700 0.001 0.000 2.361 765 S HA -0.262 4.224 4.470 0.027 0.000 0.214 765 S C 2.015 176.616 174.600 0.001 0.000 1.034 765 S CA 1.905 60.105 58.200 0.001 0.000 1.025 765 S CB -0.216 62.984 63.200 0.000 0.000 0.996 765 S HN 0.457 nan 8.310 nan 0.000 0.422 766 Q N 1.037 120.838 119.800 0.002 0.000 2.152 766 Q HA -0.062 4.294 4.340 0.027 0.000 0.206 766 Q C 2.213 178.214 176.000 0.001 0.000 0.985 766 Q CA 1.566 57.370 55.803 0.002 0.000 0.863 766 Q CB -0.512 28.228 28.738 0.003 0.000 0.904 766 Q HN 0.510 nan 8.270 nan 0.000 0.422 767 L N 0.412 121.637 121.223 0.004 0.000 1.990 767 L HA -0.265 4.092 4.340 0.027 0.000 0.213 767 L C 1.687 178.556 176.870 -0.002 0.000 1.072 767 L CA 1.506 56.349 54.840 0.005 0.000 0.755 767 L CB -0.188 41.880 42.059 0.015 0.000 0.889 767 L HN 0.253 nan 8.230 nan 0.000 0.432 768 K N -0.189 120.210 120.400 -0.001 0.000 2.211 768 K HA -0.142 4.194 4.320 0.027 0.000 0.203 768 K C 1.893 178.489 176.600 -0.007 0.000 1.050 768 K CA 1.011 57.295 56.287 -0.005 0.000 0.945 768 K CB -0.335 32.163 32.500 -0.003 0.000 0.732 768 K HN 0.575 nan 8.250 nan 0.000 0.451 769 Q N 0.828 120.625 119.800 -0.005 0.000 1.994 769 Q HA -0.040 4.317 4.340 0.027 0.000 0.198 769 Q C 2.122 178.118 176.000 -0.007 0.000 0.976 769 Q CA 1.109 56.910 55.803 -0.004 0.000 0.828 769 Q CB -0.160 28.576 28.738 -0.002 0.000 0.894 769 Q HN 0.271 nan 8.270 nan 0.000 0.432 770 K N 0.721 121.116 120.400 -0.008 0.000 2.103 770 K HA -0.108 4.228 4.320 0.027 0.000 0.207 770 K C 2.066 178.655 176.600 -0.019 0.000 1.048 770 K CA 0.957 57.236 56.287 -0.012 0.000 0.930 770 K CB -0.092 32.400 32.500 -0.013 0.000 0.716 770 K HN 0.152 nan 8.250 nan 0.000 0.444 771 L N 0.272 121.481 121.223 -0.024 0.000 2.376 771 L HA -0.098 4.258 4.340 0.027 0.000 0.219 771 L C 1.989 178.845 176.870 -0.023 0.000 1.133 771 L CA 0.846 55.666 54.840 -0.034 0.000 0.816 771 L CB -0.234 41.795 42.059 -0.050 0.000 0.933 771 L HN 0.182 nan 8.230 nan 0.000 0.449 772 E N 0.007 120.198 120.200 -0.014 0.000 2.112 772 E HA -0.130 4.236 4.350 0.027 0.000 0.190 772 E C 1.765 178.363 176.600 -0.003 0.000 0.979 772 E CA 0.385 56.781 56.400 -0.007 0.000 0.814 772 E CB 0.100 29.797 29.700 -0.005 0.000 0.762 772 E HN 0.423 nan 8.360 nan 0.000 0.460 773 N N 1.083 119.780 118.700 -0.005 0.000 2.013 773 N HA -0.145 4.611 4.740 0.027 0.000 0.195 773 N C 2.048 177.557 175.510 -0.001 0.000 1.051 773 N CA 1.023 54.071 53.050 -0.002 0.000 0.851 773 N CB -0.335 38.150 38.487 -0.004 0.000 1.044 773 N HN 0.114 nan 8.380 nan 0.000 0.422 774 L N 0.935 122.154 121.223 -0.006 0.000 2.129 774 L HA -0.204 4.152 4.340 0.027 0.000 0.212 774 L C 2.398 179.273 176.870 0.009 0.000 1.087 774 L CA 1.100 55.937 54.840 -0.005 0.000 0.757 774 L CB -0.382 41.666 42.059 -0.018 0.000 0.896 774 L HN 0.211 nan 8.230 nan 0.000 0.434 775 Q N 0.059 119.866 119.800 0.011 0.000 2.291 775 Q HA -0.093 4.264 4.340 0.027 0.000 0.205 775 Q C 1.522 177.537 176.000 0.026 0.000 0.970 775 Q CA 0.920 56.738 55.803 0.024 0.000 0.876 775 Q CB 0.088 28.836 28.738 0.017 0.000 0.935 775 Q HN 0.494 nan 8.270 nan 0.000 0.455 776 N N -0.976 117.735 118.700 0.018 0.000 2.057 776 N HA -0.004 4.753 4.740 0.027 0.000 0.212 776 N C 0.097 175.620 175.510 0.022 0.000 1.172 776 N CA 0.901 53.962 53.050 0.018 0.000 0.981 776 N CB -0.432 38.063 38.487 0.013 0.000 1.155 776 N HN -0.050 nan 8.380 nan 0.000 0.446 777 S N 0.727 116.437 115.700 0.018 0.000 2.596 777 S HA 0.171 4.658 4.470 0.027 0.000 0.248 777 S C 0.396 175.007 174.600 0.019 0.000 1.162 777 S CA -0.153 58.059 58.200 0.020 0.000 1.185 777 S CB 0.261 63.471 63.200 0.017 0.000 0.833 777 S HN 0.283 nan 8.310 nan 0.000 0.472 778 Q N 0.696 120.506 119.800 0.018 0.000 2.558 778 Q HA 0.388 4.745 4.340 0.027 0.000 0.186 778 Q C 0.325 176.332 176.000 0.011 0.000 0.894 778 Q CA -0.037 55.773 55.803 0.011 0.000 0.830 778 Q CB -0.452 28.289 28.738 0.004 0.000 1.107 778 Q HN 0.566 nan 8.270 nan 0.000 0.620 779 L N 1.900 123.128 121.223 0.009 0.000 2.410 779 L HA 0.437 4.793 4.340 0.027 0.000 0.273 779 L C -2.211 174.684 176.870 0.040 0.000 1.152 779 L CA -1.524 53.319 54.840 0.004 0.000 0.855 779 L CB -0.280 41.773 42.059 -0.010 0.000 1.129 779 L HN 0.075 nan 8.230 nan 0.000 0.463 780 P HA 0.086 nan 4.420 nan 0.000 0.275 780 P C 0.245 177.608 177.300 0.105 0.000 1.270 780 P CA -0.278 62.866 63.100 0.074 0.000 0.791 780 P CB 0.541 32.289 31.700 0.080 0.000 1.089 781 E N -0.394 119.865 120.200 0.098 0.000 2.048 781 E HA -0.125 4.241 4.350 0.027 0.000 0.202 781 E C 0.928 177.610 176.600 0.137 0.000 1.021 781 E CA 1.793 58.254 56.400 0.101 0.000 0.825 781 E CB -0.390 29.353 29.700 0.072 0.000 0.756 781 E HN 0.592 nan 8.360 nan 0.000 0.454 782 S N -0.966 114.821 115.700 0.145 0.000 2.998 782 S HA 0.699 5.185 4.470 0.027 0.000 0.323 782 S C -0.555 174.221 174.600 0.293 0.000 1.141 782 S CA -0.814 57.480 58.200 0.157 0.000 0.873 782 S CB 1.827 65.033 63.200 0.010 0.000 1.315 782 S HN 0.279 nan 8.310 nan 0.000 0.637 783 F N -2.051 117.840 119.950 -0.098 0.000 2.735 783 F HA 0.494 5.038 4.527 0.027 0.000 0.316 783 F C -1.273 174.425 175.800 -0.171 0.000 1.093 783 F CA -1.210 56.715 58.000 -0.124 0.000 0.989 783 F CB 0.571 39.510 39.000 -0.102 0.000 1.246 783 F HN 0.583 nan 8.300 nan 0.000 0.463 784 R N 1.724 122.146 120.500 -0.131 0.000 2.643 784 R HA 0.524 4.880 4.340 0.027 0.000 0.270 784 R C -0.849 175.277 176.300 -0.291 0.000 1.061 784 R CA -0.785 55.158 56.100 -0.262 0.000 1.107 784 R CB 1.319 31.509 30.300 -0.183 0.000 0.999 784 R HN 0.557 nan 8.270 nan 0.000 0.460 785 V N 5.607 125.237 119.914 -0.473 0.000 2.387 785 V HA 0.048 4.184 4.120 0.027 0.000 0.260 785 V C -1.436 174.360 176.094 -0.497 0.000 1.054 785 V CA -1.261 60.693 62.300 -0.576 0.000 0.967 785 V CB 1.034 32.395 31.823 -0.771 0.000 1.036 785 V HN 0.629 nan 8.190 nan 0.000 0.481 786 P HA -0.201 nan 4.420 nan 0.000 0.217 786 P C 1.173 178.402 177.300 -0.118 0.000 1.148 786 P CA 1.667 64.577 63.100 -0.316 0.000 0.834 786 P CB -0.038 31.027 31.700 -1.059 0.000 0.783 787 Y N -2.827 117.458 120.300 -0.026 0.000 2.523 787 Y HA 0.317 4.884 4.550 0.027 0.000 0.279 787 Y C 0.359 176.369 175.900 0.182 0.000 1.139 787 Y CA -0.191 58.017 58.100 0.179 0.000 1.296 787 Y CB -0.590 37.924 38.460 0.089 0.000 1.045 787 Y HN -0.177 nan 8.280 nan 0.000 0.538 788 D N 1.619 121.874 120.400 -0.243 0.000 2.405 788 D HA 0.230 4.886 4.640 0.027 0.000 0.264 788 D C -2.262 173.778 176.300 -0.433 0.000 1.240 788 D CA -2.455 51.431 54.000 -0.190 0.000 0.893 788 D CB 1.358 42.100 40.800 -0.097 0.000 1.198 788 D HN -0.070 nan 8.370 nan 0.000 0.514 789 P HA -0.071 nan 4.420 nan 0.000 0.222 789 P C 1.337 178.334 177.300 -0.506 0.000 1.142 789 P CA 0.723 63.313 63.100 -0.851 0.000 0.788 789 P CB 0.299 31.268 31.700 -1.218 0.000 0.767 790 G N -0.440 108.144 108.800 -0.359 0.000 2.448 790 G HA2 -0.037 3.940 3.960 0.027 0.000 0.218 790 G HA3 -0.037 3.940 3.960 0.027 0.000 0.218 790 G C 0.683 175.421 174.900 -0.270 0.000 1.135 790 G CA 0.050 44.992 45.100 -0.263 0.000 0.784 790 G HN 0.229 nan 8.290 nan 0.000 0.543 791 L N 0.770 121.822 121.223 -0.285 0.000 2.312 791 L HA 0.376 4.733 4.340 0.027 0.000 0.281 791 L C -0.093 176.574 176.870 -0.338 0.000 1.070 791 L CA -0.371 54.301 54.840 -0.279 0.000 0.805 791 L CB 1.606 43.511 42.059 -0.257 0.000 1.174 791 L HN -0.049 nan 8.230 nan 0.000 0.434 792 K N 2.897 123.115 120.400 -0.303 0.000 2.339 792 K HA 0.551 4.888 4.320 0.027 0.000 0.264 792 K C -0.625 175.750 176.600 -0.375 0.000 0.986 792 K CA -0.524 55.559 56.287 -0.340 0.000 0.866 792 K CB 1.999 34.364 32.500 -0.226 0.000 1.103 792 K HN 0.652 nan 8.250 nan 0.000 0.441 793 A N 2.930 125.361 122.820 -0.649 0.000 2.276 793 A HA 0.492 4.829 4.320 0.027 0.000 0.300 793 A C 0.671 178.074 177.584 -0.302 0.000 1.235 793 A CA -0.272 51.392 52.037 -0.621 0.000 0.867 793 A CB 0.702 18.956 19.000 -1.243 0.000 1.137 793 A HN 0.872 nan 8.150 nan 0.000 0.527 794 G N 1.438 110.226 108.800 -0.021 0.000 3.048 794 G HA2 0.478 4.455 3.960 0.027 0.000 0.151 794 G HA3 0.478 4.455 3.960 0.027 0.000 0.151 794 G C 0.687 175.756 174.900 0.281 0.000 1.803 794 G CA 0.328 45.492 45.100 0.108 0.000 1.047 794 G HN 1.348 nan 8.290 nan 0.000 0.513 795 A N -1.190 121.759 122.820 0.215 0.000 2.286 795 A HA 0.627 4.963 4.320 0.027 0.000 0.286 795 A C -0.148 177.519 177.584 0.138 0.000 1.097 795 A CA -0.512 51.642 52.037 0.195 0.000 0.821 795 A CB 0.398 19.458 19.000 0.101 0.000 1.076 795 A HN 0.452 nan 8.150 nan 0.000 0.490 796 L N 1.422 122.639 121.223 -0.010 0.000 2.369 796 L HA 0.303 4.660 4.340 0.027 0.000 0.279 796 L C 0.968 177.755 176.870 -0.138 0.000 1.108 796 L CA -0.134 54.541 54.840 -0.276 0.000 0.852 796 L CB 1.088 42.970 42.059 -0.294 0.000 1.169 796 L HN 0.769 nan 8.230 nan 0.000 0.452 797 A N 5.705 128.447 122.820 -0.131 0.000 3.063 797 A HA 0.154 4.491 4.320 0.027 0.000 0.263 797 A C 1.616 179.175 177.584 -0.041 0.000 1.736 797 A CA -0.437 51.575 52.037 -0.042 0.000 1.408 797 A CB -0.644 18.356 19.000 -0.000 0.000 1.108 797 A HN 0.734 nan 8.150 nan 0.000 0.621 798 I N 0.997 121.538 120.570 -0.048 0.000 2.161 798 I HA -0.402 3.784 4.170 0.027 0.000 0.246 798 I C 2.200 178.314 176.117 -0.005 0.000 1.048 798 I CA 2.487 63.767 61.300 -0.034 0.000 1.314 798 I CB -1.715 36.269 38.000 -0.025 0.000 1.014 798 I HN 0.724 nan 8.210 nan 0.000 0.418 799 E N 1.923 122.125 120.200 0.004 0.000 2.130 799 E HA -0.225 4.141 4.350 0.027 0.000 0.196 799 E C 1.885 178.500 176.600 0.026 0.000 0.998 799 E CA 1.444 57.852 56.400 0.013 0.000 0.806 799 E CB -0.479 29.229 29.700 0.014 0.000 0.738 799 E HN 0.579 nan 8.360 nan 0.000 0.459 800 K N 0.067 120.498 120.400 0.051 0.000 2.361 800 K HA 0.142 4.479 4.320 0.027 0.000 0.196 800 K C 0.135 176.837 176.600 0.169 0.000 1.039 800 K CA 0.257 56.606 56.287 0.103 0.000 1.001 800 K CB 0.148 32.737 32.500 0.149 0.000 0.795 800 K HN 0.124 nan 8.250 nan 0.000 0.495 801 C N 3.232 122.608 119.300 0.127 0.000 2.601 801 C HA 0.300 4.777 4.460 0.027 0.000 0.409 801 C C 0.251 175.309 174.990 0.114 0.000 1.293 801 C CA -0.748 58.369 59.018 0.165 0.000 2.101 801 C CB -0.482 27.291 27.740 0.054 0.000 2.639 801 C HN 0.427 nan 8.230 nan 0.000 0.592 802 K N 0.658 121.151 120.400 0.155 0.000 2.597 802 K HA 0.558 4.894 4.320 0.027 0.000 0.282 802 K C -1.892 174.775 176.600 0.112 0.000 0.975 802 K CA -0.670 55.661 56.287 0.074 0.000 0.867 802 K CB 0.638 33.120 32.500 -0.029 0.000 1.465 802 K HN 0.264 nan 8.250 nan 0.000 0.417 803 V N 2.445 122.398 119.914 0.065 0.000 2.546 803 V HA 0.285 4.422 4.120 0.027 0.000 0.284 803 V C 0.471 176.597 176.094 0.053 0.000 1.050 803 V CA -0.492 61.852 62.300 0.074 0.000 0.981 803 V CB 0.822 32.674 31.823 0.050 0.000 0.990 803 V HN 0.652 nan 8.190 nan 0.000 0.474 804 M N 3.078 122.725 119.600 0.079 0.000 2.494 804 M HA 0.596 5.092 4.480 0.027 0.000 0.300 804 M C 0.349 176.666 176.300 0.029 0.000 1.189 804 M CA -0.559 54.770 55.300 0.049 0.000 0.982 804 M CB 1.234 33.894 32.600 0.100 0.000 1.534 804 M HN 0.619 nan 8.290 nan 0.000 0.488 805 A N 1.767 124.589 122.820 0.004 0.000 3.078 805 A HA 0.448 4.784 4.320 0.027 0.000 0.279 805 A C -0.138 177.443 177.584 -0.006 0.000 1.594 805 A CA -0.120 51.914 52.037 -0.004 0.000 1.301 805 A CB -0.345 18.643 19.000 -0.020 0.000 1.162 805 A HN 0.657 nan 8.150 nan 0.000 0.585 806 S N 0.240 115.946 115.700 0.009 0.000 2.599 806 S HA 0.412 4.899 4.470 0.027 0.000 0.294 806 S C 1.036 175.648 174.600 0.019 0.000 1.094 806 S CA -0.679 57.524 58.200 0.005 0.000 0.931 806 S CB 1.153 64.362 63.200 0.015 0.000 1.093 806 S HN 0.573 nan 8.310 nan 0.000 0.488 807 K N 1.065 121.476 120.400 0.019 0.000 2.074 807 K HA -0.083 4.253 4.320 0.027 0.000 0.209 807 K C 0.235 176.866 176.600 0.051 0.000 1.048 807 K CA 1.163 57.468 56.287 0.030 0.000 0.926 807 K CB -0.168 32.353 32.500 0.035 0.000 0.713 807 K HN 0.510 nan 8.250 nan 0.000 0.444 808 K N 2.150 122.593 120.400 0.071 0.000 2.248 808 K HA 0.170 4.507 4.320 0.027 0.000 0.281 808 K C -0.563 176.089 176.600 0.087 0.000 1.054 808 K CA -0.289 56.057 56.287 0.098 0.000 0.903 808 K CB 1.102 33.682 32.500 0.133 0.000 1.077 808 K HN -0.217 nan 8.250 nan 0.000 0.474 809 K N 4.640 125.091 120.400 0.085 0.000 2.183 809 K HA 0.190 4.527 4.320 0.027 0.000 0.272 809 K C -2.215 174.451 176.600 0.110 0.000 1.113 809 K CA -1.565 54.770 56.287 0.080 0.000 0.949 809 K CB 0.485 33.021 32.500 0.060 0.000 1.365 809 K HN 0.526 nan 8.250 nan 0.000 0.420 810 P HA 0.178 nan 4.420 nan 0.000 0.276 810 P C -0.436 176.977 177.300 0.188 0.000 1.244 810 P CA -0.737 62.461 63.100 0.163 0.000 0.801 810 P CB 0.777 32.569 31.700 0.152 0.000 1.006 811 L N 1.911 123.272 121.223 0.230 0.000 2.309 811 L HA 0.376 4.732 4.340 0.027 0.000 0.282 811 L C -0.232 176.824 176.870 0.311 0.000 1.036 811 L CA -0.481 54.502 54.840 0.239 0.000 0.806 811 L CB 0.358 42.534 42.059 0.195 0.000 1.220 811 L HN 0.507 nan 8.230 nan 0.000 0.429 812 W N 7.209 128.571 121.300 0.104 0.000 2.282 812 W HA 0.479 5.156 4.660 0.027 0.000 0.322 812 W C -1.848 174.724 176.519 0.090 0.000 1.011 812 W CA -0.758 56.649 57.345 0.104 0.000 1.392 812 W CB 0.815 30.314 29.460 0.066 0.000 1.215 812 W HN 0.323 nan 8.180 nan 0.000 0.394 813 L N 5.634 126.914 121.223 0.095 0.000 2.331 813 L HA 0.514 4.870 4.340 0.027 0.000 0.275 813 L C 0.182 177.035 176.870 -0.029 0.000 1.022 813 L CA -0.720 54.146 54.840 0.045 0.000 0.812 813 L CB 1.958 44.061 42.059 0.073 0.000 1.257 813 L HN 0.236 nan 8.230 nan 0.000 0.435 814 E N 2.364 122.488 120.200 -0.128 0.000 2.272 814 E HA 0.570 4.937 4.350 0.027 0.000 0.269 814 E C -1.629 174.839 176.600 -0.221 0.000 0.877 814 E CA -0.568 55.811 56.400 -0.035 0.000 0.755 814 E CB 2.757 32.503 29.700 0.077 0.000 1.192 814 E HN 0.224 nan 8.360 nan 0.000 0.422 815 F N 0.980 120.963 119.950 0.055 0.000 2.551 815 F HA 0.368 4.911 4.527 0.027 0.000 0.316 815 F C 0.246 176.056 175.800 0.017 0.000 1.089 815 F CA -1.124 56.903 58.000 0.045 0.000 0.915 815 F CB 1.542 40.560 39.000 0.030 0.000 1.186 815 F HN 0.096 nan 8.300 nan 0.000 0.456 816 K N 0.946 121.460 120.400 0.189 0.000 2.326 816 K HA 0.277 4.613 4.320 0.027 0.000 0.275 816 K C -0.408 176.239 176.600 0.079 0.000 1.018 816 K CA -0.360 55.991 56.287 0.105 0.000 0.962 816 K CB 0.680 33.226 32.500 0.077 0.000 0.953 816 K HN 0.696 nan 8.250 nan 0.000 0.475 817 C N 2.580 121.898 119.300 0.030 0.000 2.648 817 C HA 0.261 4.738 4.460 0.027 0.000 0.419 817 C C 1.489 176.463 174.990 -0.026 0.000 1.352 817 C CA -0.289 58.715 59.018 -0.025 0.000 1.816 817 C CB -1.003 26.717 27.740 -0.033 0.000 2.598 817 C HN 0.883 nan 8.230 nan 0.000 0.598 818 A N 3.632 126.416 122.820 -0.059 0.000 2.259 818 A HA 0.133 4.470 4.320 0.027 0.000 0.208 818 A C 0.640 178.197 177.584 -0.046 0.000 1.201 818 A CA 0.538 52.552 52.037 -0.039 0.000 0.824 818 A CB -0.348 18.620 19.000 -0.053 0.000 0.838 818 A HN 0.919 nan 8.150 nan 0.000 0.485 819 D N -0.455 119.909 120.400 -0.059 0.000 2.427 819 D HA 0.366 5.022 4.640 0.027 0.000 0.226 819 D C -1.824 174.450 176.300 -0.043 0.000 1.076 819 D CA -2.240 51.723 54.000 -0.062 0.000 0.849 819 D CB 1.389 42.132 40.800 -0.096 0.000 1.052 819 D HN -0.073 nan 8.370 nan 0.000 0.515 820 P HA -0.187 nan 4.420 nan 0.000 0.218 820 P C 1.225 178.516 177.300 -0.016 0.000 1.152 820 P CA 1.668 64.759 63.100 -0.015 0.000 0.857 820 P CB -0.023 31.671 31.700 -0.009 0.000 0.787 821 T N -3.403 111.131 114.554 -0.032 0.000 3.155 821 T HA 0.084 4.451 4.350 0.027 0.000 0.264 821 T C 0.926 175.597 174.700 -0.048 0.000 1.160 821 T CA 0.272 62.351 62.100 -0.035 0.000 1.075 821 T CB -1.071 67.760 68.868 -0.062 0.000 0.921 821 T HN 0.119 nan 8.240 nan 0.000 0.533 822 A N 2.458 125.249 122.820 -0.048 0.000 2.513 822 A HA 0.411 4.748 4.320 0.027 0.000 0.274 822 A C 1.543 179.111 177.584 -0.026 0.000 1.115 822 A CA -0.347 51.664 52.037 -0.045 0.000 0.792 822 A CB -0.562 18.417 19.000 -0.034 0.000 1.053 822 A HN 0.624 nan 8.150 nan 0.000 0.515 823 L N 2.463 123.661 121.223 -0.041 0.000 2.270 823 L HA -0.043 4.313 4.340 0.027 0.000 0.217 823 L C 1.136 177.991 176.870 -0.026 0.000 1.107 823 L CA 1.911 56.722 54.840 -0.049 0.000 0.772 823 L CB -1.579 40.397 42.059 -0.138 0.000 0.902 823 L HN 0.574 nan 8.230 nan 0.000 0.439 824 S N -1.485 114.209 115.700 -0.010 0.000 2.811 824 S HA 0.467 4.954 4.470 0.027 0.000 0.311 824 S C 0.229 174.838 174.600 0.015 0.000 1.152 824 S CA -0.709 57.494 58.200 0.005 0.000 0.864 824 S CB 1.122 64.329 63.200 0.013 0.000 1.226 824 S HN 0.279 nan 8.310 nan 0.000 0.541 825 N N 0.550 119.265 118.700 0.025 0.000 2.197 825 N HA 0.185 4.941 4.740 0.027 0.000 0.228 825 N C -0.917 174.620 175.510 0.044 0.000 1.212 825 N CA 0.053 53.122 53.050 0.031 0.000 0.883 825 N CB 0.622 39.127 38.487 0.029 0.000 1.107 825 N HN 0.600 nan 8.380 nan 0.000 0.519 826 E N 1.276 121.505 120.200 0.049 0.000 2.398 826 E HA 0.011 4.377 4.350 0.027 0.000 0.263 826 E C 0.664 177.305 176.600 0.069 0.000 1.046 826 E CA 0.322 56.761 56.400 0.065 0.000 0.908 826 E CB 0.807 30.549 29.700 0.069 0.000 0.963 826 E HN 0.187 nan 8.360 nan 0.000 0.431 827 T N -0.642 113.964 114.554 0.086 0.000 2.810 827 T HA 0.453 4.820 4.350 0.027 0.000 0.277 827 T C 0.277 175.038 174.700 0.101 0.000 0.973 827 T CA -0.715 61.444 62.100 0.099 0.000 0.949 827 T CB 0.490 69.425 68.868 0.113 0.000 1.075 827 T HN 0.269 nan 8.240 nan 0.000 0.537 828 I N 1.059 121.709 120.570 0.133 0.000 2.312 828 I HA 0.470 4.657 4.170 0.027 0.000 0.290 828 I C 0.840 177.063 176.117 0.178 0.000 1.008 828 I CA -0.583 60.793 61.300 0.127 0.000 1.226 828 I CB 1.194 39.227 38.000 0.055 0.000 1.371 828 I HN 0.905 nan 8.210 nan 0.000 0.468 829 G N 7.976 116.823 108.800 0.078 0.000 2.329 829 G HA2 0.684 4.660 3.960 0.027 0.000 0.309 829 G HA3 0.684 4.660 3.960 0.027 0.000 0.309 829 G C -0.474 174.402 174.900 -0.040 0.000 1.110 829 G CA -0.347 44.708 45.100 -0.075 0.000 0.923 829 G HN 0.510 nan 8.290 nan 0.000 0.430 830 I N 2.497 123.103 120.570 0.059 0.000 2.509 830 I HA 0.412 4.599 4.170 0.027 0.000 0.293 830 I C -0.334 175.838 176.117 0.091 0.000 1.020 830 I CA -0.912 60.481 61.300 0.155 0.000 1.088 830 I CB 2.375 40.629 38.000 0.422 0.000 1.267 830 I HN 0.196 nan 8.210 nan 0.000 0.430 831 I N 4.920 125.492 120.570 0.003 0.000 2.353 831 I HA 0.334 4.520 4.170 0.027 0.000 0.293 831 I C -0.916 175.252 176.117 0.085 0.000 0.992 831 I CA -0.300 61.034 61.300 0.057 0.000 1.268 831 I CB 1.167 39.158 38.000 -0.015 0.000 1.387 831 I HN 0.352 nan 8.210 nan 0.000 0.478 832 F N 5.719 125.723 119.950 0.091 0.000 2.467 832 F HA 0.532 5.075 4.527 0.028 0.000 0.336 832 F C 0.084 175.950 175.800 0.109 0.000 1.123 832 F CA -0.501 57.562 58.000 0.105 0.000 0.964 832 F CB 1.618 40.689 39.000 0.118 0.000 1.136 832 F HN 0.316 nan 8.300 nan 0.000 0.447 833 K N 2.151 122.660 120.400 0.181 0.000 2.512 833 K HA 0.522 4.859 4.320 0.027 0.000 0.263 833 K C -2.126 174.586 176.600 0.187 0.000 0.966 833 K CA -0.832 55.557 56.287 0.171 0.000 0.851 833 K CB 1.720 34.280 32.500 0.100 0.000 1.395 833 K HN 0.717 nan 8.250 nan 0.000 0.440 834 H N 0.478 119.609 119.070 0.102 0.000 2.589 834 H HA 0.537 5.110 4.556 0.028 0.000 0.351 834 H C 0.321 175.697 175.328 0.079 0.000 1.074 834 H CA 0.606 56.708 56.048 0.089 0.000 1.203 834 H CB 2.015 31.832 29.762 0.091 0.000 1.558 834 H HN 0.791 nan 8.280 nan 0.000 0.522 835 G N 3.762 112.372 108.800 -0.317 0.000 2.284 835 G HA2 -0.196 3.780 3.960 0.027 0.000 0.201 835 G HA3 -0.196 3.780 3.960 0.027 0.000 0.201 835 G C -0.615 174.260 174.900 -0.042 0.000 0.998 835 G CA -0.051 44.986 45.100 -0.104 0.000 0.651 835 G HN 0.624 nan 8.290 nan 0.000 0.489 836 D N 1.163 121.550 120.400 -0.021 0.000 2.193 836 D HA 0.477 5.133 4.640 0.027 0.000 0.244 836 D C -0.718 175.581 176.300 -0.002 0.000 1.064 836 D CA -0.323 53.695 54.000 0.030 0.000 0.845 836 D CB 1.626 42.468 40.800 0.070 0.000 1.148 836 D HN 0.090 nan 8.370 nan 0.000 0.464 837 D N 2.896 123.303 120.400 0.012 0.000 2.508 837 D HA -0.009 4.648 4.640 0.027 0.000 0.224 837 D C 0.904 177.221 176.300 0.028 0.000 1.171 837 D CA -0.366 53.637 54.000 0.004 0.000 1.006 837 D CB 0.143 40.945 40.800 0.003 0.000 1.073 837 D HN 0.086 nan 8.370 nan 0.000 0.513 838 L N 2.770 124.008 121.223 0.025 0.000 2.447 838 L HA -0.063 4.294 4.340 0.027 0.000 0.225 838 L C 2.292 179.175 176.870 0.021 0.000 1.148 838 L CA 0.903 55.768 54.840 0.042 0.000 0.808 838 L CB -0.694 41.382 42.059 0.028 0.000 0.928 838 L HN 0.422 nan 8.230 nan 0.000 0.448 839 R N -0.664 119.833 120.500 -0.004 0.000 2.075 839 R HA -0.164 4.193 4.340 0.027 0.000 0.232 839 R C 2.077 178.349 176.300 -0.046 0.000 1.126 839 R CA 1.387 57.463 56.100 -0.040 0.000 0.963 839 R CB 0.036 30.309 30.300 -0.046 0.000 0.858 839 R HN 0.506 nan 8.270 nan 0.000 0.435 840 Q N 0.082 119.878 119.800 -0.008 0.000 2.084 840 Q HA -0.184 4.172 4.340 0.027 0.000 0.202 840 Q C 1.588 177.609 176.000 0.034 0.000 0.978 840 Q CA 2.087 57.894 55.803 0.006 0.000 0.844 840 Q CB -0.105 28.658 28.738 0.043 0.000 0.898 840 Q HN 0.401 nan 8.270 nan 0.000 0.426 841 D N 0.243 120.708 120.400 0.109 0.000 2.123 841 D HA -0.171 4.485 4.640 0.027 0.000 0.196 841 D C 1.830 178.117 176.300 -0.022 0.000 0.992 841 D CA 1.263 55.368 54.000 0.176 0.000 0.833 841 D CB -0.036 40.931 40.800 0.278 0.000 0.954 841 D HN 0.185 nan 8.370 nan 0.000 0.455 842 M N -0.151 119.413 119.600 -0.061 0.000 2.082 842 M HA -0.170 4.326 4.480 0.027 0.000 0.258 842 M C 1.789 177.967 176.300 -0.205 0.000 1.071 842 M CA 0.986 56.197 55.300 -0.148 0.000 1.103 842 M CB -0.311 32.185 32.600 -0.172 0.000 1.307 842 M HN 0.090 nan 8.290 nan 0.000 0.409 843 L N 0.508 121.619 121.223 -0.187 0.000 2.013 843 L HA -0.222 4.134 4.340 0.027 0.000 0.212 843 L C 2.414 179.165 176.870 -0.198 0.000 1.073 843 L CA 1.833 56.560 54.840 -0.188 0.000 0.753 843 L CB -1.324 40.640 42.059 -0.158 0.000 0.890 843 L HN 0.331 nan 8.230 nan 0.000 0.432 844 I N -1.166 119.270 120.570 -0.223 0.000 2.142 844 I HA -0.278 3.908 4.170 0.027 0.000 0.240 844 I C 2.455 178.333 176.117 -0.398 0.000 1.078 844 I CA 0.943 62.042 61.300 -0.336 0.000 1.343 844 I CB -0.864 36.834 38.000 -0.503 0.000 1.046 844 I HN 0.204 nan 8.210 nan 0.000 0.405 845 L N 0.474 121.460 121.223 -0.395 0.000 2.079 845 L HA -0.228 4.128 4.340 0.027 0.000 0.210 845 L C 2.580 179.288 176.870 -0.270 0.000 1.081 845 L CA 1.719 56.346 54.840 -0.354 0.000 0.752 845 L CB -1.617 40.236 42.059 -0.344 0.000 0.896 845 L HN 0.300 nan 8.230 nan 0.000 0.433 846 Q N -0.325 119.328 119.800 -0.245 0.000 2.084 846 Q HA -0.104 4.252 4.340 0.027 0.000 0.202 846 Q C 2.267 178.152 176.000 -0.193 0.000 0.978 846 Q CA 1.508 57.183 55.803 -0.215 0.000 0.844 846 Q CB -0.195 28.415 28.738 -0.214 0.000 0.898 846 Q HN 0.499 nan 8.270 nan 0.000 0.426 847 I N -0.420 120.038 120.570 -0.187 0.000 2.394 847 I HA -0.241 3.945 4.170 0.027 0.000 0.251 847 I C 1.600 177.586 176.117 -0.218 0.000 1.136 847 I CA 0.351 61.550 61.300 -0.168 0.000 1.425 847 I CB -0.211 37.716 38.000 -0.122 0.000 1.079 847 I HN 0.205 nan 8.210 nan 0.000 0.425 848 L N 0.723 121.803 121.223 -0.238 0.000 2.083 848 L HA -0.167 4.189 4.340 0.027 0.000 0.209 848 L C 2.613 179.353 176.870 -0.216 0.000 1.083 848 L CA 1.779 56.472 54.840 -0.245 0.000 0.752 848 L CB -0.762 41.159 42.059 -0.231 0.000 0.899 848 L HN 0.153 nan 8.230 nan 0.000 0.433 849 R N -0.984 119.412 120.500 -0.173 0.000 2.115 849 R HA -0.046 4.310 4.340 0.027 0.000 0.226 849 R C 2.247 178.511 176.300 -0.060 0.000 1.100 849 R CA 1.150 57.190 56.100 -0.101 0.000 0.980 849 R CB -0.366 29.859 30.300 -0.126 0.000 0.875 849 R HN 0.351 nan 8.270 nan 0.000 0.445 850 I N 0.702 121.185 120.570 -0.146 0.000 2.315 850 I HA -0.244 3.943 4.170 0.027 0.000 0.248 850 I C 2.342 178.233 176.117 -0.376 0.000 1.117 850 I CA 1.333 62.489 61.300 -0.240 0.000 1.404 850 I CB -0.097 37.764 38.000 -0.231 0.000 1.071 850 I HN 0.119 nan 8.210 nan 0.000 0.419 851 M N -0.289 119.027 119.600 -0.475 0.000 2.229 851 M HA -0.162 4.334 4.480 0.027 0.000 0.264 851 M C 2.071 177.790 176.300 -0.968 0.000 1.063 851 M CA 1.529 56.308 55.300 -0.869 0.000 1.114 851 M CB -0.369 31.624 32.600 -1.012 0.000 1.387 851 M HN 0.148 nan 8.290 nan 0.000 0.420 852 E N -0.311 119.626 120.200 -0.437 0.000 2.153 852 E HA -0.172 4.195 4.350 0.027 0.000 0.194 852 E C 2.103 178.681 176.600 -0.036 0.000 0.988 852 E CA 1.347 57.711 56.400 -0.060 0.000 0.811 852 E CB -0.090 29.619 29.700 0.015 0.000 0.746 852 E HN 0.366 nan 8.360 nan 0.000 0.466 853 S N 0.280 115.887 115.700 -0.154 0.000 2.414 853 S HA -0.019 4.467 4.470 0.027 0.000 0.227 853 S C 1.919 176.388 174.600 -0.217 0.000 1.022 853 S CA 0.278 58.374 58.200 -0.174 0.000 0.958 853 S CB 0.012 62.978 63.200 -0.390 0.000 0.797 853 S HN 0.149 nan 8.310 nan 0.000 0.493 854 I N 0.072 120.418 120.570 -0.373 0.000 2.439 854 I HA -0.079 4.108 4.170 0.027 0.000 0.251 854 I C 1.818 177.842 176.117 -0.156 0.000 1.139 854 I CA 0.599 61.638 61.300 -0.434 0.000 1.438 854 I CB -0.249 37.323 38.000 -0.712 0.000 1.085 854 I HN 0.404 nan 8.210 nan 0.000 0.427 855 W N 1.191 122.431 121.300 -0.101 0.000 2.467 855 W HA -0.078 4.598 4.660 0.027 0.000 0.275 855 W C 2.428 178.969 176.519 0.036 0.000 1.239 855 W CA 0.698 58.015 57.345 -0.046 0.000 1.266 855 W CB -0.781 28.635 29.460 -0.074 0.000 1.112 855 W HN 0.277 nan 8.180 nan 0.000 0.576 856 E N 0.238 120.587 120.200 0.248 0.000 2.150 856 E HA -0.176 4.190 4.350 0.027 0.000 0.193 856 E C 2.089 178.776 176.600 0.146 0.000 0.985 856 E CA 1.882 58.431 56.400 0.248 0.000 0.814 856 E CB -0.039 29.768 29.700 0.178 0.000 0.752 856 E HN 0.119 nan 8.360 nan 0.000 0.466 857 T N -1.764 112.846 114.554 0.093 0.000 3.098 857 T HA -0.076 4.291 4.350 0.027 0.000 0.266 857 T C 0.999 175.761 174.700 0.104 0.000 1.145 857 T CA 0.912 63.057 62.100 0.075 0.000 1.092 857 T CB -0.035 68.874 68.868 0.069 0.000 0.908 857 T HN 0.141 nan 8.240 nan 0.000 0.526 858 E N 0.249 120.536 120.200 0.146 0.000 2.968 858 E HA 0.266 4.633 4.350 0.027 0.000 0.202 858 E C -0.163 176.530 176.600 0.156 0.000 0.979 858 E CA -0.304 56.181 56.400 0.141 0.000 1.192 858 E CB 0.679 30.473 29.700 0.157 0.000 1.059 858 E HN 0.360 nan 8.360 nan 0.000 0.470 859 S N 0.667 116.482 115.700 0.192 0.000 3.521 859 S HA -0.206 4.280 4.470 0.027 0.000 0.362 859 S C -0.031 174.811 174.600 0.402 0.000 1.044 859 S CA 0.619 58.983 58.200 0.273 0.000 1.091 859 S CB -1.230 62.058 63.200 0.146 0.000 0.908 859 S HN 0.320 nan 8.310 nan 0.000 0.473 860 L N 1.257 122.677 121.223 0.328 0.000 2.322 860 L HA 0.614 4.970 4.340 0.027 0.000 0.281 860 L C -0.105 176.727 176.870 -0.064 0.000 1.014 860 L CA -0.589 54.306 54.840 0.093 0.000 0.815 860 L CB 1.531 43.556 42.059 -0.057 0.000 1.247 860 L HN 0.053 nan 8.230 nan 0.000 0.421 861 D N 3.655 123.876 120.400 -0.299 0.000 2.461 861 D HA 0.265 4.921 4.640 0.027 0.000 0.240 861 D C 0.170 176.395 176.300 -0.126 0.000 1.094 861 D CA -0.300 53.444 54.000 -0.427 0.000 0.868 861 D CB 1.097 41.377 40.800 -0.866 0.000 1.062 861 D HN 0.385 nan 8.370 nan 0.000 0.530 862 L N 2.822 123.962 121.223 -0.139 0.000 2.645 862 L HA 0.147 4.504 4.340 0.027 0.000 0.234 862 L C 0.550 177.393 176.870 -0.045 0.000 1.165 862 L CA -0.404 54.314 54.840 -0.204 0.000 0.944 862 L CB -0.544 41.080 42.059 -0.725 0.000 1.149 862 L HN 0.565 nan 8.230 nan 0.000 0.446 863 C N 0.920 120.220 119.300 0.001 0.000 3.989 863 C HA -0.193 4.284 4.460 0.027 0.000 0.297 863 C C 1.247 176.308 174.990 0.119 0.000 1.435 863 C CA -0.103 58.941 59.018 0.044 0.000 2.040 863 C CB -3.126 24.646 27.740 0.054 0.000 1.308 863 C HN 0.372 nan 8.230 nan 0.000 0.704 864 L N -0.303 120.971 121.223 0.085 0.000 2.452 864 L HA 0.351 4.707 4.340 0.027 0.000 0.267 864 L C 0.504 177.497 176.870 0.204 0.000 1.188 864 L CA -0.292 54.622 54.840 0.123 0.000 0.821 864 L CB 0.189 42.185 42.059 -0.104 0.000 1.102 864 L HN 0.065 nan 8.230 nan 0.000 0.470 865 L N 4.273 125.705 121.223 0.348 0.000 2.506 865 L HA 0.350 4.706 4.340 0.027 0.000 0.247 865 L C -2.115 174.839 176.870 0.140 0.000 1.141 865 L CA -1.551 53.357 54.840 0.113 0.000 0.973 865 L CB 0.488 42.440 42.059 -0.178 0.000 1.319 865 L HN 0.288 nan 8.230 nan 0.000 0.455 866 P HA 0.179 nan 4.420 nan 0.000 0.241 866 P C -0.598 176.612 177.300 -0.150 0.000 1.780 866 P CA -0.480 62.585 63.100 -0.058 0.000 1.111 866 P CB -0.559 31.086 31.700 -0.092 0.000 1.852 867 Y N 0.347 120.618 120.300 -0.048 0.000 2.890 867 Y HA 0.293 4.860 4.550 0.028 0.000 0.341 867 Y C 1.113 176.919 175.900 -0.157 0.000 1.269 867 Y CA -0.820 57.194 58.100 -0.143 0.000 1.517 867 Y CB -0.550 37.807 38.460 -0.172 0.000 1.314 867 Y HN 0.368 nan 8.280 nan 0.000 0.622 868 G N 0.843 109.559 108.800 -0.141 0.000 2.484 868 G HA2 0.278 4.254 3.960 0.027 0.000 0.235 868 G HA3 0.278 4.254 3.960 0.027 0.000 0.235 868 G C -1.127 173.662 174.900 -0.186 0.000 1.282 868 G CA 0.018 44.972 45.100 -0.242 0.000 0.857 868 G HN 1.171 nan 8.290 nan 0.000 0.571 869 C N 3.870 123.163 119.300 -0.011 0.000 2.924 869 C HA 0.455 4.931 4.460 0.027 0.000 0.400 869 C C -1.230 173.811 174.990 0.084 0.000 1.032 869 C CA -1.024 58.022 59.018 0.046 0.000 1.236 869 C CB -0.079 27.710 27.740 0.081 0.000 1.660 869 C HN 0.591 nan 8.230 nan 0.000 0.510 870 I N 5.438 126.046 120.570 0.063 0.000 2.411 870 I HA 0.314 4.501 4.170 0.027 0.000 0.284 870 I C 0.612 176.729 176.117 0.002 0.000 1.012 870 I CA 0.245 61.574 61.300 0.048 0.000 1.119 870 I CB 1.513 39.477 38.000 -0.059 0.000 1.261 870 I HN 0.765 nan 8.210 nan 0.000 0.448 871 S N 4.122 119.848 115.700 0.043 0.000 2.505 871 S HA 0.244 4.731 4.470 0.027 0.000 0.276 871 S C 1.146 175.799 174.600 0.089 0.000 1.274 871 S CA 0.019 58.241 58.200 0.037 0.000 1.053 871 S CB 0.387 63.599 63.200 0.020 0.000 0.919 871 S HN 0.766 nan 8.310 nan 0.000 0.490 872 T N 1.797 116.405 114.554 0.090 0.000 2.985 872 T HA 0.561 4.927 4.350 0.027 0.000 0.254 872 T C 0.869 175.654 174.700 0.142 0.000 1.021 872 T CA 0.206 62.410 62.100 0.172 0.000 0.957 872 T CB 0.251 69.235 68.868 0.194 0.000 1.047 872 T HN 0.948 nan 8.240 nan 0.000 0.511 873 G N 0.817 109.675 108.800 0.097 0.000 2.435 873 G HA2 0.391 4.367 3.960 0.027 0.000 0.296 873 G HA3 0.391 4.367 3.960 0.027 0.000 0.296 873 G C -2.101 172.832 174.900 0.055 0.000 1.240 873 G CA -0.626 44.523 45.100 0.082 0.000 0.872 873 G HN 0.129 nan 8.290 nan 0.000 0.480 874 D N 0.950 121.385 120.400 0.058 0.000 2.339 874 D HA 0.341 4.998 4.640 0.027 0.000 0.256 874 D C 0.656 176.939 176.300 -0.028 0.000 1.214 874 D CA 0.164 54.182 54.000 0.030 0.000 0.877 874 D CB 0.248 41.081 40.800 0.054 0.000 1.111 874 D HN 0.504 nan 8.370 nan 0.000 0.478 875 K N 1.929 122.284 120.400 -0.075 0.000 3.069 875 K HA -0.222 4.115 4.320 0.027 0.000 0.267 875 K C -0.414 176.053 176.600 -0.220 0.000 1.082 875 K CA 0.525 56.703 56.287 -0.182 0.000 0.782 875 K CB -1.683 30.629 32.500 -0.314 0.000 1.230 875 K HN 0.649 nan 8.250 nan 0.000 0.488 876 I N -1.913 118.620 120.570 -0.061 0.000 2.827 876 I HA 0.637 4.823 4.170 0.027 0.000 0.298 876 I C 0.032 176.162 176.117 0.022 0.000 1.235 876 I CA 0.118 61.430 61.300 0.020 0.000 1.021 876 I CB 2.171 40.252 38.000 0.135 0.000 1.259 876 I HN 0.206 nan 8.210 nan 0.000 0.427 877 G N 6.244 115.037 108.800 -0.011 0.000 2.344 877 G HA2 0.305 4.281 3.960 0.027 0.000 0.282 877 G HA3 0.305 4.281 3.960 0.027 0.000 0.282 877 G C -1.699 173.001 174.900 -0.333 0.000 1.281 877 G CA -0.388 44.645 45.100 -0.113 0.000 0.877 877 G HN 0.773 nan 8.290 nan 0.000 0.494 878 M N -0.644 118.728 119.600 -0.380 0.000 2.602 878 M HA 0.892 5.388 4.480 0.027 0.000 0.312 878 M C -1.355 174.832 176.300 -0.188 0.000 1.181 878 M CA -0.951 54.053 55.300 -0.492 0.000 0.910 878 M CB 2.299 34.516 32.600 -0.638 0.000 1.723 878 M HN 0.420 nan 8.290 nan 0.000 0.459 879 I N 1.044 121.516 120.570 -0.164 0.000 2.499 879 I HA 0.307 4.493 4.170 0.027 0.000 0.288 879 I C -0.328 175.652 176.117 -0.228 0.000 1.048 879 I CA -0.551 60.666 61.300 -0.137 0.000 1.062 879 I CB 2.193 40.116 38.000 -0.129 0.000 1.238 879 I HN 0.833 nan 8.210 nan 0.000 0.426 880 E N 6.563 126.486 120.200 -0.462 0.000 2.384 880 E HA 0.214 4.581 4.350 0.027 0.000 0.266 880 E C -0.820 175.591 176.600 -0.315 0.000 1.012 880 E CA -0.291 55.763 56.400 -0.578 0.000 0.901 880 E CB 0.864 29.979 29.700 -0.976 0.000 0.967 880 E HN 0.464 nan 8.360 nan 0.000 0.435 881 I N 4.857 125.283 120.570 -0.240 0.000 2.352 881 I HA 0.047 4.233 4.170 0.027 0.000 0.290 881 I C -0.192 175.839 176.117 -0.142 0.000 1.036 881 I CA -0.661 60.482 61.300 -0.261 0.000 1.336 881 I CB 1.325 39.036 38.000 -0.482 0.000 1.407 881 I HN 0.309 nan 8.210 nan 0.000 0.497 882 V N 7.858 127.709 119.914 -0.105 0.000 2.439 882 V HA 0.089 4.225 4.120 0.027 0.000 0.271 882 V C 0.652 176.789 176.094 0.072 0.000 1.040 882 V CA -0.560 61.703 62.300 -0.061 0.000 1.002 882 V CB 0.314 31.995 31.823 -0.235 0.000 1.000 882 V HN 0.547 nan 8.190 nan 0.000 0.477 883 K N 3.038 123.487 120.400 0.081 0.000 2.276 883 K HA 0.099 4.436 4.320 0.027 0.000 0.259 883 K C 0.536 177.247 176.600 0.187 0.000 1.001 883 K CA 0.041 56.411 56.287 0.140 0.000 0.927 883 K CB 0.079 32.649 32.500 0.118 0.000 0.969 883 K HN 0.724 nan 8.250 nan 0.000 0.490 884 D N -1.270 119.258 120.400 0.213 0.000 2.837 884 D HA -0.206 4.450 4.640 0.027 0.000 0.230 884 D C -0.822 175.653 176.300 0.291 0.000 1.152 884 D CA 1.461 55.596 54.000 0.225 0.000 0.736 884 D CB -0.890 40.019 40.800 0.181 0.000 1.084 884 D HN 0.602 nan 8.370 nan 0.000 0.429 885 A N -0.484 122.516 122.820 0.301 0.000 2.350 885 A HA 0.799 5.136 4.320 0.027 0.000 0.324 885 A C 0.465 178.174 177.584 0.208 0.000 1.118 885 A CA -0.258 51.959 52.037 0.301 0.000 0.783 885 A CB 1.547 20.783 19.000 0.393 0.000 1.236 885 A HN 0.027 nan 8.150 nan 0.000 0.457 886 T N 0.297 114.894 114.554 0.073 0.000 2.916 886 T HA 0.567 4.934 4.350 0.027 0.000 0.292 886 T C 0.017 174.595 174.700 -0.203 0.000 1.064 886 T CA -0.471 61.594 62.100 -0.059 0.000 1.011 886 T CB 1.522 70.317 68.868 -0.122 0.000 1.152 886 T HN 0.535 nan 8.240 nan 0.000 0.510 887 T N 2.097 116.537 114.554 -0.190 0.000 2.897 887 T HA 0.213 4.580 4.350 0.027 0.000 0.294 887 T C 1.629 176.183 174.700 -0.243 0.000 1.004 887 T CA -0.624 61.344 62.100 -0.219 0.000 1.106 887 T CB 0.183 68.960 68.868 -0.152 0.000 0.949 887 T HN 0.374 nan 8.240 nan 0.000 0.520 888 I N 2.540 122.975 120.570 -0.225 0.000 2.208 888 I HA -0.174 4.012 4.170 0.027 0.000 0.245 888 I C 2.682 178.734 176.117 -0.108 0.000 1.097 888 I CA 1.418 62.626 61.300 -0.154 0.000 1.363 888 I CB -1.721 36.274 38.000 -0.008 0.000 1.051 888 I HN 0.744 nan 8.210 nan 0.000 0.413 889 A N 0.831 123.596 122.820 -0.091 0.000 1.908 889 A HA -0.238 4.098 4.320 0.027 0.000 0.218 889 A C 2.371 179.948 177.584 -0.011 0.000 1.181 889 A CA 1.778 53.795 52.037 -0.033 0.000 0.627 889 A CB -0.549 18.445 19.000 -0.009 0.000 0.818 889 A HN 0.374 nan 8.150 nan 0.000 0.445 890 K N -0.546 119.819 120.400 -0.058 0.000 2.097 890 K HA -0.017 4.320 4.320 0.027 0.000 0.206 890 K C 1.669 178.237 176.600 -0.054 0.000 1.049 890 K CA 1.451 57.711 56.287 -0.045 0.000 0.933 890 K CB -0.325 32.139 32.500 -0.060 0.000 0.717 890 K HN 0.527 nan 8.250 nan 0.000 0.442 891 I N 0.990 121.471 120.570 -0.149 0.000 2.454 891 I HA -0.262 3.924 4.170 0.027 0.000 0.254 891 I C 2.441 178.540 176.117 -0.030 0.000 1.156 891 I CA 0.974 62.161 61.300 -0.187 0.000 1.433 891 I CB -0.012 37.695 38.000 -0.488 0.000 1.082 891 I HN 0.242 nan 8.210 nan 0.000 0.432 892 Q N -0.064 119.739 119.800 0.004 0.000 2.165 892 Q HA -0.136 4.221 4.340 0.027 0.000 0.197 892 Q C 2.110 178.165 176.000 0.092 0.000 0.952 892 Q CA 0.884 56.731 55.803 0.074 0.000 0.848 892 Q CB -0.289 28.516 28.738 0.112 0.000 0.931 892 Q HN 0.461 nan 8.270 nan 0.000 0.470 893 Q N 0.476 120.332 119.800 0.092 0.000 2.364 893 Q HA -0.118 4.238 4.340 0.027 0.000 0.209 893 Q C 1.913 177.950 176.000 0.061 0.000 0.977 893 Q CA 1.310 57.167 55.803 0.089 0.000 0.885 893 Q CB 0.116 28.905 28.738 0.085 0.000 0.941 893 Q HN 0.253 nan 8.270 nan 0.000 0.464 894 S N -0.300 115.435 115.700 0.058 0.000 2.371 894 S HA -0.075 4.411 4.470 0.027 0.000 0.224 894 S C 1.524 176.163 174.600 0.065 0.000 1.029 894 S CA 1.520 59.762 58.200 0.069 0.000 0.978 894 S CB -0.107 63.153 63.200 0.100 0.000 0.833 894 S HN 0.488 nan 8.310 nan 0.000 0.466 895 T N -1.588 113.003 114.554 0.061 0.000 3.331 895 T HA 0.641 5.008 4.350 0.027 0.000 0.282 895 T C 0.415 175.122 174.700 0.011 0.000 1.010 895 T CA -0.091 62.037 62.100 0.046 0.000 0.928 895 T CB 0.868 69.775 68.868 0.065 0.000 1.154 895 T HN 0.198 nan 8.240 nan 0.000 0.516 896 V N -0.758 119.158 119.914 0.004 0.000 3.062 896 V HA 0.460 4.596 4.120 0.027 0.000 0.230 896 V C 1.088 177.167 176.094 -0.025 0.000 1.664 896 V CA 0.135 62.413 62.300 -0.037 0.000 1.076 896 V CB -0.033 31.750 31.823 -0.068 0.000 1.030 896 V HN 0.821 nan 8.190 nan 0.000 0.437 897 G N 2.381 111.192 108.800 0.019 0.000 2.905 897 G HA2 -0.248 3.729 3.960 0.027 0.000 0.209 897 G HA3 -0.248 3.729 3.960 0.027 0.000 0.209 897 G C -0.015 174.923 174.900 0.065 0.000 0.658 897 G CA 0.586 45.712 45.100 0.044 0.000 0.826 897 G HN 0.884 nan 8.290 nan 0.000 0.359 898 N N 0.647 119.437 118.700 0.151 0.000 2.686 898 N HA -0.196 4.561 4.740 0.027 0.000 0.261 898 N C 1.214 176.883 175.510 0.264 0.000 1.001 898 N CA 1.908 55.132 53.050 0.290 0.000 0.764 898 N CB -0.507 38.088 38.487 0.179 0.000 0.898 898 N HN 0.802 nan 8.380 nan 0.000 0.544 899 T N -2.399 112.146 114.554 -0.015 0.000 3.413 899 T HA 0.610 4.976 4.350 0.027 0.000 0.187 899 T C 1.393 175.366 174.700 -1.211 0.000 0.961 899 T CA 0.414 62.236 62.100 -0.463 0.000 1.085 899 T CB 0.680 69.371 68.868 -0.295 0.000 1.345 899 T HN 0.496 nan 8.240 nan 0.000 0.326 900 G N 0.866 108.949 108.800 -1.195 0.000 2.551 900 G HA2 0.048 4.024 3.960 0.027 0.000 0.186 900 G HA3 0.048 4.024 3.960 0.027 0.000 0.186 900 G C 0.668 174.606 174.900 -1.603 0.000 1.002 900 G CA 0.184 44.239 45.100 -1.741 0.000 0.723 900 G HN 0.813 nan 8.290 nan 0.000 0.481 901 A N 1.195 123.464 122.820 -0.919 0.000 2.626 901 A HA 0.560 4.897 4.320 0.027 0.000 0.238 901 A C 0.479 177.710 177.584 -0.588 0.000 1.641 901 A CA -0.182 51.480 52.037 -0.625 0.000 1.449 901 A CB -1.495 17.273 19.000 -0.387 0.000 0.888 901 A HN 0.600 nan 8.150 nan 0.000 0.628 902 F N 0.642 120.197 119.950 -0.658 0.000 2.539 902 F HA -0.008 4.535 4.527 0.027 0.000 0.393 902 F C 1.115 176.493 175.800 -0.703 0.000 1.032 902 F CA 0.358 57.822 58.000 -0.892 0.000 1.120 902 F CB 0.251 38.152 39.000 -1.832 0.000 1.014 902 F HN 0.230 nan 8.300 nan 0.000 0.546 903 K N 3.599 123.893 120.400 -0.176 0.000 2.312 903 K HA 0.042 4.379 4.320 0.027 0.000 0.287 903 K C 0.274 176.908 176.600 0.057 0.000 1.062 903 K CA -0.596 55.639 56.287 -0.087 0.000 0.934 903 K CB 0.747 33.185 32.500 -0.103 0.000 1.027 903 K HN 0.508 nan 8.250 nan 0.000 0.478 904 D N 2.864 123.337 120.400 0.121 0.000 2.351 904 D HA -0.157 4.499 4.640 0.027 0.000 0.216 904 D C 1.115 177.365 176.300 -0.083 0.000 0.968 904 D CA 0.977 55.068 54.000 0.152 0.000 0.899 904 D CB 0.279 41.091 40.800 0.019 0.000 0.907 904 D HN 0.668 nan 8.370 nan 0.000 0.514 905 E N 0.094 120.171 120.200 -0.205 0.000 2.122 905 E HA -0.083 4.283 4.350 0.027 0.000 0.190 905 E C 1.944 178.492 176.600 -0.088 0.000 0.977 905 E CA 0.227 56.485 56.400 -0.236 0.000 0.820 905 E CB 0.306 29.785 29.700 -0.368 0.000 0.770 905 E HN -0.024 nan 8.360 nan 0.000 0.462 906 V N 1.811 121.679 119.914 -0.077 0.000 2.220 906 V HA -0.357 3.780 4.120 0.027 0.000 0.250 906 V C 2.479 178.700 176.094 0.212 0.000 1.056 906 V CA 1.979 64.298 62.300 0.032 0.000 1.016 906 V CB -0.749 31.107 31.823 0.055 0.000 0.639 906 V HN 0.405 nan 8.190 nan 0.000 0.446 907 L N 0.287 121.636 121.223 0.211 0.000 1.997 907 L HA -0.304 4.052 4.340 0.027 0.000 0.216 907 L C 2.671 179.703 176.870 0.270 0.000 1.074 907 L CA 2.423 57.378 54.840 0.192 0.000 0.763 907 L CB -0.662 41.457 42.059 0.100 0.000 0.890 907 L HN 0.529 nan 8.230 nan 0.000 0.434 908 N N -0.744 118.120 118.700 0.273 0.000 2.205 908 N HA -0.237 4.520 4.740 0.027 0.000 0.186 908 N C 1.746 177.509 175.510 0.421 0.000 1.015 908 N CA 1.466 54.704 53.050 0.313 0.000 0.862 908 N CB -0.165 38.487 38.487 0.275 0.000 0.986 908 N HN 0.549 nan 8.380 nan 0.000 0.429 909 H N -2.216 117.002 119.070 0.247 0.000 2.326 909 H HA -0.155 4.418 4.556 0.027 0.000 0.301 909 H C 1.712 177.158 175.328 0.196 0.000 1.081 909 H CA 1.232 57.391 56.048 0.184 0.000 1.334 909 H CB -0.172 29.694 29.762 0.173 0.000 1.385 909 H HN 0.367 nan 8.280 nan 0.000 0.504 910 W N 1.736 123.161 121.300 0.209 0.000 2.358 910 W HA -0.179 4.497 4.660 0.028 0.000 0.303 910 W C 1.992 178.585 176.519 0.122 0.000 1.208 910 W CA 1.166 58.590 57.345 0.132 0.000 1.274 910 W CB -0.421 29.103 29.460 0.106 0.000 1.138 910 W HN 0.024 nan 8.180 nan 0.000 0.515 911 L N 0.663 122.133 121.223 0.412 0.000 2.046 911 L HA -0.214 4.142 4.340 0.027 0.000 0.208 911 L C 2.450 179.478 176.870 0.263 0.000 1.077 911 L CA 1.777 56.797 54.840 0.301 0.000 0.747 911 L CB -0.952 41.298 42.059 0.318 0.000 0.896 911 L HN -0.129 nan 8.230 nan 0.000 0.432 912 K N 0.382 120.914 120.400 0.220 0.000 2.103 912 K HA -0.188 4.149 4.320 0.027 0.000 0.204 912 K C 2.011 178.529 176.600 -0.137 0.000 1.052 912 K CA 1.287 57.500 56.287 -0.122 0.000 0.945 912 K CB -0.110 32.125 32.500 -0.442 0.000 0.722 912 K HN 0.236 nan 8.250 nan 0.000 0.443 913 E N 0.100 120.222 120.200 -0.130 0.000 2.118 913 E HA -0.202 4.164 4.350 0.027 0.000 0.195 913 E C 0.987 177.446 176.600 -0.234 0.000 0.992 913 E CA 1.178 57.474 56.400 -0.175 0.000 0.804 913 E CB 0.162 29.759 29.700 -0.171 0.000 0.741 913 E HN 0.131 nan 8.360 nan 0.000 0.458 914 K N 0.095 120.295 120.400 -0.333 0.000 2.393 914 K HA 0.131 4.468 4.320 0.027 0.000 0.193 914 K C 0.272 176.778 176.600 -0.157 0.000 1.026 914 K CA 0.059 56.142 56.287 -0.339 0.000 1.064 914 K CB 0.917 33.025 32.500 -0.653 0.000 0.833 914 K HN -0.095 nan 8.250 nan 0.000 0.521 915 S N 2.762 118.423 115.700 -0.066 0.000 2.452 915 S HA 0.189 4.676 4.470 0.027 0.000 0.284 915 S C -1.807 172.786 174.600 -0.012 0.000 1.171 915 S CA -1.088 57.122 58.200 0.016 0.000 1.064 915 S CB 1.489 64.786 63.200 0.162 0.000 0.967 915 S HN -0.004 nan 8.310 nan 0.000 0.484 916 P HA 0.026 nan 4.420 nan 0.000 0.225 916 P C 0.577 177.872 177.300 -0.007 0.000 1.156 916 P CA 0.713 63.804 63.100 -0.015 0.000 0.787 916 P CB 0.108 31.803 31.700 -0.008 0.000 0.802 917 T N -5.043 109.521 114.554 0.016 0.000 2.865 917 T HA 0.325 4.692 4.350 0.027 0.000 0.294 917 T C 0.632 175.369 174.700 0.061 0.000 1.119 917 T CA -0.716 61.398 62.100 0.023 0.000 1.007 917 T CB 1.855 70.740 68.868 0.028 0.000 1.225 917 T HN -0.276 nan 8.240 nan 0.000 0.515 918 E N -0.150 120.085 120.200 0.058 0.000 2.427 918 E HA -0.032 4.335 4.350 0.027 0.000 0.196 918 E C 1.473 178.170 176.600 0.161 0.000 1.028 918 E CA 0.482 56.956 56.400 0.122 0.000 0.864 918 E CB 0.242 29.981 29.700 0.065 0.000 0.813 918 E HN 0.825 nan 8.360 nan 0.000 0.514 919 E N 0.906 121.164 120.200 0.097 0.000 2.046 919 E HA -0.111 4.256 4.350 0.027 0.000 0.190 919 E C 1.811 178.455 176.600 0.073 0.000 0.982 919 E CA 1.079 57.524 56.400 0.074 0.000 0.800 919 E CB 0.219 29.948 29.700 0.048 0.000 0.756 919 E HN 0.008 nan 8.360 nan 0.000 0.449 920 K N -0.441 120.005 120.400 0.076 0.000 2.148 920 K HA -0.122 4.215 4.320 0.027 0.000 0.204 920 K C 1.964 178.618 176.600 0.090 0.000 1.050 920 K CA 0.988 57.314 56.287 0.065 0.000 0.942 920 K CB -0.201 32.331 32.500 0.053 0.000 0.724 920 K HN 0.161 nan 8.250 nan 0.000 0.446 921 F N 2.261 122.206 119.950 -0.007 0.000 2.186 921 F HA -0.164 4.379 4.527 0.028 0.000 0.299 921 F C 2.125 177.925 175.800 0.001 0.000 1.090 921 F CA 1.380 59.374 58.000 -0.009 0.000 1.307 921 F CB 0.092 39.081 39.000 -0.018 0.000 1.019 921 F HN -0.047 nan 8.300 nan 0.000 0.489 922 Q N 0.157 119.938 119.800 -0.032 0.000 2.311 922 Q HA 0.043 4.400 4.340 0.027 0.000 0.203 922 Q C 2.324 178.263 176.000 -0.102 0.000 0.954 922 Q CA 1.049 56.793 55.803 -0.099 0.000 0.885 922 Q CB -0.594 28.176 28.738 0.053 0.000 0.963 922 Q HN 0.544 nan 8.270 nan 0.000 0.471 923 A N 0.718 123.499 122.820 -0.064 0.000 1.878 923 A HA 0.115 4.451 4.320 0.027 0.000 0.213 923 A C 2.259 179.802 177.584 -0.069 0.000 1.192 923 A CA 1.246 53.251 52.037 -0.053 0.000 0.619 923 A CB -0.561 18.425 19.000 -0.024 0.000 0.837 923 A HN 0.301 nan 8.150 nan 0.000 0.446 924 A N -0.461 122.311 122.820 -0.080 0.000 2.076 924 A HA 0.018 4.354 4.320 0.027 0.000 0.220 924 A C 2.056 179.569 177.584 -0.119 0.000 1.160 924 A CA 1.875 53.876 52.037 -0.061 0.000 0.653 924 A CB -0.594 18.382 19.000 -0.040 0.000 0.801 924 A HN 0.381 nan 8.150 nan 0.000 0.455 925 V N -0.882 118.864 119.914 -0.280 0.000 2.599 925 V HA -0.106 4.031 4.120 0.027 0.000 0.245 925 V C 2.403 178.419 176.094 -0.130 0.000 1.046 925 V CA 1.845 63.956 62.300 -0.315 0.000 1.065 925 V CB -0.341 31.124 31.823 -0.597 0.000 0.703 925 V HN 0.679 nan 8.190 nan 0.000 0.464 926 E N 1.123 121.265 120.200 -0.096 0.000 2.051 926 E HA -0.252 4.115 4.350 0.027 0.000 0.192 926 E C 2.322 178.960 176.600 0.064 0.000 0.991 926 E CA 1.692 58.094 56.400 0.003 0.000 0.799 926 E CB -0.267 29.408 29.700 -0.041 0.000 0.748 926 E HN 0.426 nan 8.360 nan 0.000 0.449 927 R N -1.034 119.477 120.500 0.018 0.000 2.096 927 R HA -0.148 4.209 4.340 0.027 0.000 0.235 927 R C 2.172 178.556 176.300 0.140 0.000 1.127 927 R CA 1.467 57.597 56.100 0.050 0.000 0.968 927 R CB -0.507 29.820 30.300 0.045 0.000 0.861 927 R HN 0.297 nan 8.270 nan 0.000 0.440 928 F N 0.264 120.228 119.950 0.023 0.000 2.051 928 F HA -0.204 4.340 4.527 0.028 0.000 0.296 928 F C 1.972 177.826 175.800 0.091 0.000 1.122 928 F CA 1.691 59.704 58.000 0.021 0.000 1.201 928 F CB -0.508 38.456 39.000 -0.061 0.000 0.978 928 F HN -0.196 nan 8.300 nan 0.000 0.472 929 V N -0.359 119.692 119.914 0.228 0.000 2.324 929 V HA -0.374 3.762 4.120 0.027 0.000 0.250 929 V C 2.091 178.266 176.094 0.136 0.000 1.060 929 V CA 2.334 64.777 62.300 0.238 0.000 1.042 929 V CB -1.088 30.900 31.823 0.276 0.000 0.650 929 V HN 0.432 nan 8.190 nan 0.000 0.450 930 Y N 0.558 120.841 120.300 -0.028 0.000 2.109 930 Y HA -0.250 4.317 4.550 0.028 0.000 0.285 930 Y C 2.987 178.818 175.900 -0.115 0.000 1.131 930 Y CA 2.026 60.065 58.100 -0.102 0.000 1.121 930 Y CB -0.593 37.803 38.460 -0.107 0.000 0.987 930 Y HN 0.320 nan 8.280 nan 0.000 0.495 931 S N -0.646 115.109 115.700 0.092 0.000 2.365 931 S HA -0.325 4.161 4.470 0.027 0.000 0.225 931 S C 2.230 176.883 174.600 0.088 0.000 1.039 931 S CA 1.664 59.925 58.200 0.102 0.000 1.033 931 S CB -1.299 61.966 63.200 0.108 0.000 0.887 931 S HN 0.632 nan 8.310 nan 0.000 0.447 932 C N 1.774 120.987 119.300 -0.145 0.000 2.413 932 C HA 0.118 4.594 4.460 0.027 0.000 0.276 932 C C 3.156 178.248 174.990 0.170 0.000 1.236 932 C CA 1.215 60.189 59.018 -0.073 0.000 1.735 932 C CB -1.921 25.602 27.740 -0.361 0.000 2.031 932 C HN 0.745 nan 8.230 nan 0.000 0.474 933 A N 0.486 123.357 122.820 0.085 0.000 1.883 933 A HA 0.051 4.387 4.320 0.027 0.000 0.217 933 A C 2.500 179.928 177.584 -0.259 0.000 1.186 933 A CA 2.354 54.260 52.037 -0.218 0.000 0.624 933 A CB -1.631 17.049 19.000 -0.533 0.000 0.822 933 A HN 0.732 nan 8.150 nan 0.000 0.444 934 G N -1.506 107.132 108.800 -0.269 0.000 2.491 934 G HA2 -0.279 3.698 3.960 0.027 0.000 0.218 934 G HA3 -0.279 3.698 3.960 0.027 0.000 0.218 934 G C 1.500 176.308 174.900 -0.154 0.000 1.180 934 G CA 1.373 46.282 45.100 -0.318 0.000 0.774 934 G HN 0.566 nan 8.290 nan 0.000 0.562 935 Y N 0.081 120.404 120.300 0.039 0.000 2.200 935 Y HA -0.104 4.462 4.550 0.028 0.000 0.290 935 Y C 3.244 179.138 175.900 -0.011 0.000 1.137 935 Y CA 0.860 58.977 58.100 0.027 0.000 1.163 935 Y CB -0.656 37.835 38.460 0.051 0.000 0.988 935 Y HN 0.232 nan 8.280 nan 0.000 0.518 936 C N -0.768 118.595 119.300 0.104 0.000 2.385 936 C HA -0.206 4.270 4.460 0.027 0.000 0.275 936 C C 2.712 177.554 174.990 -0.247 0.000 1.207 936 C CA 1.275 60.185 59.018 -0.179 0.000 1.760 936 C CB -1.195 26.347 27.740 -0.329 0.000 2.051 936 C HN 0.378 nan 8.230 nan 0.000 0.467 937 V N 1.304 121.175 119.914 -0.072 0.000 2.255 937 V HA -0.137 3.999 4.120 0.027 0.000 0.243 937 V C 2.727 178.967 176.094 0.244 0.000 1.038 937 V CA 2.139 64.501 62.300 0.102 0.000 1.008 937 V CB -1.622 30.206 31.823 0.008 0.000 0.645 937 V HN 0.568 nan 8.190 nan 0.000 0.449 938 A N -0.265 122.672 122.820 0.195 0.000 1.892 938 A HA -0.331 4.005 4.320 0.027 0.000 0.218 938 A C 2.465 180.110 177.584 0.103 0.000 1.188 938 A CA 2.998 55.099 52.037 0.107 0.000 0.631 938 A CB -1.250 17.759 19.000 0.016 0.000 0.822 938 A HN 0.486 nan 8.150 nan 0.000 0.447 939 T N -1.813 112.818 114.554 0.129 0.000 2.708 939 T HA -0.149 4.217 4.350 0.027 0.000 0.266 939 T C 1.592 176.454 174.700 0.269 0.000 1.037 939 T CA 1.784 63.983 62.100 0.164 0.000 1.146 939 T CB -0.406 68.520 68.868 0.097 0.000 0.865 939 T HN 0.460 nan 8.240 nan 0.000 0.435 940 F N 1.589 121.675 119.950 0.227 0.000 2.075 940 F HA -0.057 4.487 4.527 0.027 0.000 0.297 940 F C 2.238 178.249 175.800 0.352 0.000 1.113 940 F CA 1.186 59.394 58.000 0.346 0.000 1.218 940 F CB -0.879 38.355 39.000 0.389 0.000 0.984 940 F HN -0.016 nan 8.300 nan 0.000 0.472 941 V N 0.932 120.899 119.914 0.089 0.000 2.332 941 V HA -0.308 3.828 4.120 0.027 0.000 0.248 941 V C 2.434 178.521 176.094 -0.012 0.000 1.055 941 V CA 2.076 64.362 62.300 -0.022 0.000 1.038 941 V CB -0.754 31.117 31.823 0.080 0.000 0.651 941 V HN 0.404 nan 8.190 nan 0.000 0.450 942 L N 0.051 121.311 121.223 0.061 0.000 2.554 942 L HA 0.234 4.591 4.340 0.027 0.000 0.226 942 L C 1.664 178.589 176.870 0.092 0.000 1.137 942 L CA 0.811 55.725 54.840 0.124 0.000 0.863 942 L CB -0.480 41.652 42.059 0.121 0.000 0.985 942 L HN 0.565 nan 8.230 nan 0.000 0.451 943 G N 1.608 110.380 108.800 -0.047 0.000 2.221 943 G HA2 -0.296 3.681 3.960 0.027 0.000 0.265 943 G HA3 -0.296 3.681 3.960 0.027 0.000 0.265 943 G C 0.503 175.322 174.900 -0.135 0.000 1.041 943 G CA 0.573 45.407 45.100 -0.444 0.000 0.807 943 G HN 0.595 nan 8.290 nan 0.000 0.502 944 I N -3.666 116.947 120.570 0.071 0.000 3.658 944 I HA 0.579 4.766 4.170 0.027 0.000 0.328 944 I C 1.562 177.819 176.117 0.233 0.000 1.567 944 I CA 0.187 61.584 61.300 0.161 0.000 1.078 944 I CB 0.333 38.468 38.000 0.225 0.000 1.267 944 I HN 0.010 nan 8.210 nan 0.000 0.495 945 G N 0.422 109.381 108.800 0.264 0.000 2.421 945 G HA2 -0.155 3.822 3.960 0.027 0.000 0.217 945 G HA3 -0.155 3.822 3.960 0.027 0.000 0.217 945 G C 0.536 175.635 174.900 0.333 0.000 1.143 945 G CA 0.379 45.701 45.100 0.371 0.000 0.784 945 G HN 0.400 nan 8.290 nan 0.000 0.541 946 D N 1.031 121.603 120.400 0.285 0.000 2.508 946 D HA 0.191 4.847 4.640 0.027 0.000 0.224 946 D C 0.106 176.515 176.300 0.182 0.000 1.171 946 D CA -0.095 54.101 54.000 0.326 0.000 1.006 946 D CB 0.050 41.102 40.800 0.421 0.000 1.073 946 D HN -0.036 nan 8.370 nan 0.000 0.513 947 R N 1.636 122.112 120.500 -0.041 0.000 2.732 947 R HA 0.312 4.669 4.340 0.027 0.000 0.278 947 R C -0.058 175.752 176.300 -0.817 0.000 0.976 947 R CA -0.827 54.906 56.100 -0.611 0.000 0.963 947 R CB 0.973 31.032 30.300 -0.401 0.000 1.150 947 R HN 0.501 nan 8.270 nan 0.000 0.478 948 H N 0.490 118.995 119.070 -0.942 0.000 2.790 948 H HA 0.082 4.654 4.556 0.027 0.000 0.358 948 H C 1.140 176.242 175.328 -0.377 0.000 1.103 948 H CA -0.447 55.101 56.048 -0.834 0.000 1.426 948 H CB 0.930 30.246 29.762 -0.743 0.000 1.424 948 H HN 0.433 nan 8.280 nan 0.000 0.599 949 N N 1.341 119.978 118.700 -0.105 0.000 2.205 949 N HA -0.194 4.562 4.740 0.027 0.000 0.186 949 N C 1.095 176.529 175.510 -0.126 0.000 1.015 949 N CA 1.362 54.352 53.050 -0.100 0.000 0.862 949 N CB -0.046 38.395 38.487 -0.077 0.000 0.986 949 N HN 0.694 nan 8.380 nan 0.000 0.429 950 D N -0.041 120.294 120.400 -0.108 0.000 2.312 950 D HA 0.025 4.681 4.640 0.027 0.000 0.211 950 D C 0.493 176.679 176.300 -0.190 0.000 0.964 950 D CA 0.774 54.697 54.000 -0.128 0.000 0.877 950 D CB -0.173 40.561 40.800 -0.110 0.000 0.924 950 D HN 0.312 nan 8.370 nan 0.000 0.515 951 N N -0.809 117.750 118.700 -0.235 0.000 2.279 951 N HA 0.222 4.978 4.740 0.027 0.000 0.226 951 N C -0.647 174.593 175.510 -0.450 0.000 1.126 951 N CA -0.110 52.753 53.050 -0.311 0.000 0.846 951 N CB 0.999 39.322 38.487 -0.273 0.000 1.050 951 N HN 0.125 nan 8.380 nan 0.000 0.502 952 I N 1.184 121.487 120.570 -0.445 0.000 2.499 952 I HA 0.343 4.530 4.170 0.027 0.000 0.288 952 I C -0.508 175.312 176.117 -0.495 0.000 1.048 952 I CA -0.470 60.500 61.300 -0.550 0.000 1.062 952 I CB 1.732 39.454 38.000 -0.463 0.000 1.238 952 I HN -0.162 nan 8.210 nan 0.000 0.426 953 M N 6.139 125.287 119.600 -0.754 0.000 2.762 953 M HA 0.652 5.149 4.480 0.027 0.000 0.306 953 M C -0.869 174.981 176.300 -0.750 0.000 1.223 953 M CA -0.889 53.913 55.300 -0.830 0.000 0.896 953 M CB 3.127 35.026 32.600 -1.169 0.000 1.684 953 M HN 0.465 nan 8.290 nan 0.000 0.491 954 I N 0.480 120.801 120.570 -0.415 0.000 2.827 954 I HA 0.404 4.590 4.170 0.027 0.000 0.298 954 I C -0.614 175.597 176.117 0.156 0.000 1.235 954 I CA -0.352 60.891 61.300 -0.094 0.000 1.021 954 I CB 2.620 40.569 38.000 -0.085 0.000 1.259 954 I HN 0.860 nan 8.210 nan 0.000 0.427 955 T N 1.109 115.861 114.554 0.330 0.000 2.918 955 T HA 0.345 4.712 4.350 0.027 0.000 0.283 955 T C 0.630 175.604 174.700 0.457 0.000 1.001 955 T CA -0.549 61.780 62.100 0.381 0.000 1.041 955 T CB 1.488 70.547 68.868 0.319 0.000 1.028 955 T HN 0.676 nan 8.240 nan 0.000 0.511 956 E N 0.052 120.504 120.200 0.421 0.000 2.510 956 E HA -0.056 4.310 4.350 0.027 0.000 0.202 956 E C 1.225 177.899 176.600 0.123 0.000 1.072 956 E CA 0.579 57.100 56.400 0.202 0.000 0.883 956 E CB 0.007 29.731 29.700 0.040 0.000 0.818 956 E HN 0.755 nan 8.360 nan 0.000 0.548 957 T N -1.855 112.807 114.554 0.180 0.000 3.084 957 T HA 0.281 4.647 4.350 0.027 0.000 0.270 957 T C 1.064 175.850 174.700 0.144 0.000 1.008 957 T CA 0.602 62.778 62.100 0.126 0.000 0.900 957 T CB 0.326 69.254 68.868 0.099 0.000 1.084 957 T HN 0.301 nan 8.240 nan 0.000 0.538 958 G N 1.921 110.851 108.800 0.217 0.000 2.176 958 G HA2 -0.221 3.756 3.960 0.027 0.000 0.253 958 G HA3 -0.221 3.756 3.960 0.027 0.000 0.253 958 G C 0.050 175.109 174.900 0.265 0.000 0.979 958 G CA -0.019 45.229 45.100 0.247 0.000 0.641 958 G HN 0.571 nan 8.290 nan 0.000 0.530 959 N N 0.667 119.514 118.700 0.244 0.000 2.402 959 N HA 0.426 5.183 4.740 0.027 0.000 0.252 959 N C 0.219 175.918 175.510 0.315 0.000 1.118 959 N CA -0.158 53.045 53.050 0.255 0.000 0.945 959 N CB 0.744 39.375 38.487 0.239 0.000 1.147 959 N HN 0.469 nan 8.380 nan 0.000 0.495 960 L N 4.711 126.045 121.223 0.186 0.000 2.418 960 L HA 0.604 4.960 4.340 0.027 0.000 0.265 960 L C -0.751 176.189 176.870 0.117 0.000 1.143 960 L CA -0.262 54.589 54.840 0.018 0.000 0.809 960 L CB 0.335 42.265 42.059 -0.215 0.000 1.124 960 L HN 0.485 nan 8.230 nan 0.000 0.456 961 F N 0.364 120.127 119.950 -0.312 0.000 2.708 961 F HA 0.428 4.971 4.527 0.027 0.000 0.309 961 F C -1.031 174.508 175.800 -0.434 0.000 1.120 961 F CA -1.020 56.546 58.000 -0.724 0.000 0.978 961 F CB 0.605 39.521 39.000 -0.139 0.000 1.283 961 F HN 0.461 nan 8.300 nan 0.000 0.439 962 H N 2.476 121.237 119.070 -0.514 0.000 2.509 962 H HA 0.827 5.400 4.556 0.028 0.000 0.359 962 H C -0.151 175.196 175.328 0.032 0.000 1.253 962 H CA 0.016 55.979 56.048 -0.142 0.000 1.373 962 H CB 2.276 32.120 29.762 0.138 0.000 1.555 962 H HN 0.782 nan 8.280 nan 0.000 0.586 963 I N -2.782 117.608 120.570 -0.301 0.000 3.509 963 I HA 0.250 4.437 4.170 0.027 0.000 0.311 963 I C -0.523 175.143 176.117 -0.752 0.000 1.178 963 I CA -1.035 60.060 61.300 -0.342 0.000 0.963 963 I CB 1.634 39.517 38.000 -0.195 0.000 1.352 963 I HN 0.418 nan 8.210 nan 0.000 0.482 964 D N 0.952 121.144 120.400 -0.346 0.000 2.886 964 D HA -0.208 4.449 4.640 0.027 0.000 0.221 964 D C 0.373 176.582 176.300 -0.153 0.000 1.227 964 D CA 0.828 54.733 54.000 -0.159 0.000 0.746 964 D CB -0.490 40.236 40.800 -0.122 0.000 0.935 964 D HN 0.555 nan 8.370 nan 0.000 0.399 965 F N -0.765 119.294 119.950 0.182 0.000 2.604 965 F HA 0.081 4.624 4.527 0.028 0.000 0.298 965 F C 2.561 178.430 175.800 0.114 0.000 1.131 965 F CA 0.718 58.802 58.000 0.140 0.000 1.457 965 F CB 0.162 39.226 39.000 0.106 0.000 1.095 965 F HN 0.305 nan 8.300 nan 0.000 0.574 966 G N -1.806 107.135 108.800 0.235 0.000 2.603 966 G HA2 -0.178 3.799 3.960 0.027 0.000 0.214 966 G HA3 -0.178 3.799 3.960 0.027 0.000 0.214 966 G C 1.111 176.097 174.900 0.142 0.000 1.140 966 G CA 0.107 45.301 45.100 0.156 0.000 0.800 966 G HN 0.354 nan 8.290 nan 0.000 0.533 967 H N 0.415 119.544 119.070 0.099 0.000 2.545 967 H HA 0.025 4.597 4.556 0.027 0.000 0.282 967 H C 2.034 177.471 175.328 0.182 0.000 1.020 967 H CA 1.074 57.186 56.048 0.107 0.000 1.243 967 H CB 0.166 29.973 29.762 0.076 0.000 1.377 967 H HN 0.416 nan 8.280 nan 0.000 0.581 968 I N -1.716 119.016 120.570 0.271 0.000 6.128 968 I HA -0.013 4.174 4.170 0.027 0.000 0.232 968 I C 1.553 177.831 176.117 0.267 0.000 0.852 968 I CA -0.026 61.459 61.300 0.308 0.000 1.894 968 I CB -1.315 36.843 38.000 0.263 0.000 1.406 968 I HN 0.032 nan 8.210 nan 0.000 0.471 969 L N 1.324 122.664 121.223 0.195 0.000 2.651 969 L HA 0.168 4.524 4.340 0.027 0.000 0.236 969 L C 1.933 178.862 176.870 0.099 0.000 1.173 969 L CA 1.277 56.190 54.840 0.120 0.000 0.843 969 L CB -2.623 39.453 42.059 0.029 0.000 0.964 969 L HN 0.600 nan 8.230 nan 0.000 0.454 970 G N 0.809 109.674 108.800 0.109 0.000 2.777 970 G HA2 -0.096 3.880 3.960 0.027 0.000 0.211 970 G HA3 -0.096 3.880 3.960 0.027 0.000 0.211 970 G C 0.941 175.864 174.900 0.038 0.000 1.149 970 G CA 0.565 45.706 45.100 0.067 0.000 0.785 970 G HN 0.695 nan 8.290 nan 0.000 0.536 971 N N -2.680 116.056 118.700 0.059 0.000 2.073 971 N HA 0.108 4.865 4.740 0.027 0.000 0.227 971 N C -0.404 175.181 175.510 0.125 0.000 1.367 971 N CA -0.711 52.359 53.050 0.034 0.000 0.775 971 N CB -0.454 37.979 38.487 -0.089 0.000 1.234 971 N HN 0.353 nan 8.380 nan 0.000 0.512 982 R N 0.862 121.372 120.500 0.016 0.000 2.795 982 R HA 0.684 5.040 4.340 0.027 0.000 0.275 982 R C -1.139 175.186 176.300 0.041 0.000 0.981 982 R CA -0.986 55.145 56.100 0.053 0.000 0.917 982 R CB 2.568 32.923 30.300 0.092 0.000 1.202 982 R HN 0.225 nan 8.270 nan 0.000 0.469 983 V N 2.961 122.920 119.914 0.074 0.000 2.630 983 V HA 0.290 4.426 4.120 0.027 0.000 0.305 983 V C -1.508 174.607 176.094 0.035 0.000 1.046 983 V CA -2.225 60.077 62.300 0.002 0.000 0.934 983 V CB 2.125 33.956 31.823 0.012 0.000 1.003 983 V HN 0.727 nan 8.190 nan 0.000 0.451 984 P HA 0.011 nan 4.420 nan 0.000 0.217 984 P C -0.199 177.287 177.300 0.311 0.000 1.154 984 P CA 1.284 64.440 63.100 0.095 0.000 0.841 984 P CB 0.144 31.740 31.700 -0.174 0.000 0.788 985 F N -3.702 116.353 119.950 0.176 0.000 2.789 985 F HA 0.618 5.161 4.527 0.027 0.000 0.319 985 F C -1.231 174.653 175.800 0.140 0.000 1.168 985 F CA -1.768 56.356 58.000 0.206 0.000 0.934 985 F CB 0.561 39.703 39.000 0.236 0.000 1.375 985 F HN -0.479 nan 8.300 nan 0.000 0.480 986 V N 2.310 122.485 119.914 0.435 0.000 2.333 986 V HA 0.487 4.623 4.120 0.027 0.000 0.274 986 V C -0.879 175.324 176.094 0.182 0.000 1.028 986 V CA -0.238 62.165 62.300 0.172 0.000 0.851 986 V CB 0.976 32.872 31.823 0.121 0.000 1.000 986 V HN 0.647 nan 8.190 nan 0.000 0.456 987 L N 6.552 127.737 121.223 -0.064 0.000 2.574 987 L HA 0.401 4.758 4.340 0.027 0.000 0.258 987 L C 0.699 177.363 176.870 -0.344 0.000 1.520 987 L CA 0.069 54.884 54.840 -0.042 0.000 0.775 987 L CB 0.962 43.153 42.059 0.219 0.000 1.028 987 L HN 0.759 nan 8.230 nan 0.000 0.516 988 T N -1.167 112.934 114.554 -0.754 0.000 2.802 988 T HA 0.277 4.644 4.350 0.027 0.000 0.305 988 T C -1.751 172.560 174.700 -0.649 0.000 1.053 988 T CA -0.986 60.577 62.100 -0.894 0.000 1.058 988 T CB 0.373 68.510 68.868 -1.218 0.000 0.988 988 T HN 0.229 nan 8.240 nan 0.000 0.539 989 P HA -0.062 nan 4.420 nan 0.000 0.220 989 P C 1.193 178.466 177.300 -0.045 0.000 1.148 989 P CA 0.931 63.800 63.100 -0.385 0.000 0.803 989 P CB -0.069 31.367 31.700 -0.441 0.000 0.782 990 D N -1.252 119.170 120.400 0.038 0.000 2.183 990 D HA -0.158 4.499 4.640 0.027 0.000 0.203 990 D C 1.581 178.127 176.300 0.409 0.000 0.969 990 D CA 1.081 55.285 54.000 0.341 0.000 0.842 990 D CB -1.171 39.926 40.800 0.495 0.000 0.957 990 D HN 0.090 nan 8.370 nan 0.000 0.484 991 F N 1.064 121.058 119.950 0.074 0.000 2.074 991 F HA 0.139 4.683 4.527 0.027 0.000 0.293 991 F C 2.538 178.405 175.800 0.112 0.000 1.116 991 F CA 0.060 58.168 58.000 0.181 0.000 1.212 991 F CB -1.206 37.967 39.000 0.289 0.000 0.998 991 F HN -0.081 nan 8.300 nan 0.000 0.471 992 L N -1.267 120.098 121.223 0.236 0.000 2.129 992 L HA -0.273 4.083 4.340 0.027 0.000 0.212 992 L C 2.426 179.379 176.870 0.137 0.000 1.087 992 L CA 1.253 56.150 54.840 0.096 0.000 0.757 992 L CB -0.833 41.199 42.059 -0.044 0.000 0.896 992 L HN 0.038 nan 8.230 nan 0.000 0.434 993 F N -0.086 119.882 119.950 0.030 0.000 2.293 993 F HA -0.124 4.419 4.527 0.027 0.000 0.300 993 F C 2.104 177.932 175.800 0.047 0.000 1.086 993 F CA 1.021 59.046 58.000 0.041 0.000 1.375 993 F CB -0.122 38.915 39.000 0.062 0.000 1.045 993 F HN -0.217 nan 8.300 nan 0.000 0.516 994 V N -0.027 119.853 119.914 -0.057 0.000 2.379 994 V HA -0.298 3.839 4.120 0.027 0.000 0.245 994 V C 2.366 178.377 176.094 -0.140 0.000 1.044 994 V CA 1.906 64.080 62.300 -0.210 0.000 1.036 994 V CB -0.719 30.817 31.823 -0.479 0.000 0.664 994 V HN 0.261 nan 8.190 nan 0.000 0.453 995 M N -0.152 119.449 119.600 0.003 0.000 2.446 995 M HA 0.031 4.527 4.480 0.027 0.000 0.263 995 M C 1.799 178.205 176.300 0.177 0.000 1.066 995 M CA 1.576 56.953 55.300 0.129 0.000 1.087 995 M CB -0.191 32.535 32.600 0.209 0.000 1.406 995 M HN 0.649 nan 8.290 nan 0.000 0.459 996 G N -0.935 107.891 108.800 0.043 0.000 2.436 996 G HA2 -0.184 3.793 3.960 0.027 0.000 0.204 996 G HA3 -0.184 3.793 3.960 0.027 0.000 0.204 996 G C 0.352 175.262 174.900 0.016 0.000 1.026 996 G CA -0.036 45.077 45.100 0.022 0.000 0.658 996 G HN 0.379 nan 8.290 nan 0.000 0.499 997 T N 1.195 115.760 114.554 0.019 0.000 2.900 997 T HA 0.508 4.874 4.350 0.027 0.000 0.307 997 T C 0.110 174.854 174.700 0.074 0.000 1.065 997 T CA 1.040 63.117 62.100 -0.038 0.000 1.105 997 T CB 1.648 70.347 68.868 -0.281 0.000 0.979 997 T HN 0.496 nan 8.240 nan 0.000 0.544 998 S N 0.644 116.375 115.700 0.052 0.000 2.774 998 S HA 0.545 5.031 4.470 0.027 0.000 0.297 998 S C 1.047 175.633 174.600 -0.023 0.000 1.143 998 S CA 0.142 58.391 58.200 0.081 0.000 1.090 998 S CB 0.149 63.428 63.200 0.132 0.000 1.019 998 S HN 1.139 nan 8.310 nan 0.000 0.482 999 G N 5.189 113.952 108.800 -0.061 0.000 3.284 999 G HA2 -0.270 3.707 3.960 0.027 0.000 0.351 999 G HA3 -0.270 3.707 3.960 0.027 0.000 0.351 999 G C -0.203 174.624 174.900 -0.122 0.000 1.232 999 G CA 0.595 45.639 45.100 -0.093 0.000 1.001 999 G HN 0.609 nan 8.290 nan 0.000 0.639 1000 K N 1.646 121.992 120.400 -0.090 0.000 2.526 1000 K HA 0.537 4.873 4.320 0.027 0.000 0.214 1000 K C 0.358 176.914 176.600 -0.075 0.000 1.088 1000 K CA -0.067 56.167 56.287 -0.088 0.000 1.058 1000 K CB 1.615 34.080 32.500 -0.058 0.000 1.653 1000 K HN 0.614 nan 8.250 nan 0.000 0.521 1001 K N -0.186 120.147 120.400 -0.111 0.000 1.790 1001 K HA 0.493 4.830 4.320 0.027 0.000 0.263 1001 K C -0.920 175.614 176.600 -0.111 0.000 0.838 1001 K CA -0.504 55.738 56.287 -0.076 0.000 0.662 1001 K CB 1.774 34.247 32.500 -0.045 0.000 2.216 1001 K HN 0.134 nan 8.250 nan 0.000 0.769 1002 T N 0.070 114.589 114.554 -0.059 0.000 2.907 1002 T HA 0.304 4.670 4.350 0.027 0.000 0.344 1002 T C -1.979 172.767 174.700 0.076 0.000 1.675 1002 T CA -0.821 61.292 62.100 0.021 0.000 1.076 1002 T CB 1.364 70.306 68.868 0.124 0.000 1.483 1002 T HN 0.704 nan 8.240 nan 0.000 0.487 1003 S N 1.147 116.948 115.700 0.168 0.000 2.570 1003 S HA 0.689 5.176 4.470 0.027 0.000 0.270 1003 S C -2.431 172.261 174.600 0.153 0.000 1.149 1003 S CA -1.312 56.968 58.200 0.133 0.000 0.837 1003 S CB 1.988 65.257 63.200 0.115 0.000 1.124 1003 S HN 0.390 nan 8.310 nan 0.000 0.465 1004 P HA -0.241 nan 4.420 nan 0.000 0.217 1004 P C 1.146 178.465 177.300 0.032 0.000 1.158 1004 P CA 1.814 64.906 63.100 -0.014 0.000 0.887 1004 P CB -0.415 31.201 31.700 -0.140 0.000 0.792 1005 H N -1.896 117.258 119.070 0.140 0.000 2.387 1005 H HA -0.108 4.464 4.556 0.027 0.000 0.299 1005 H C 2.025 177.485 175.328 0.220 0.000 1.099 1005 H CA 1.094 57.239 56.048 0.161 0.000 1.315 1005 H CB -1.081 28.770 29.762 0.149 0.000 1.380 1005 H HN 0.158 nan 8.280 nan 0.000 0.513 1006 F N 2.159 122.249 119.950 0.234 0.000 2.234 1006 F HA -0.148 4.396 4.527 0.028 0.000 0.299 1006 F C 2.278 178.227 175.800 0.247 0.000 1.087 1006 F CA 1.120 59.251 58.000 0.217 0.000 1.340 1006 F CB -0.005 39.068 39.000 0.122 0.000 1.031 1006 F HN 0.089 nan 8.300 nan 0.000 0.500 1007 Q N 0.052 119.881 119.800 0.048 0.000 2.137 1007 Q HA -0.175 4.182 4.340 0.027 0.000 0.198 1007 Q C 2.186 178.146 176.000 -0.066 0.000 0.960 1007 Q CA 1.438 57.212 55.803 -0.050 0.000 0.847 1007 Q CB -0.326 28.437 28.738 0.042 0.000 0.915 1007 Q HN 0.421 nan 8.270 nan 0.000 0.448 1008 K N 0.847 121.256 120.400 0.014 0.000 2.057 1008 K HA -0.194 4.143 4.320 0.027 0.000 0.207 1008 K C 1.887 178.440 176.600 -0.079 0.000 1.049 1008 K CA 1.142 57.429 56.287 0.001 0.000 0.931 1008 K CB -0.203 32.362 32.500 0.109 0.000 0.714 1008 K HN 0.125 nan 8.250 nan 0.000 0.440 1009 F N 2.059 121.918 119.950 -0.152 0.000 2.065 1009 F HA -0.258 4.286 4.527 0.028 0.000 0.298 1009 F C 2.150 177.791 175.800 -0.265 0.000 1.112 1009 F CA 1.955 59.834 58.000 -0.202 0.000 1.212 1009 F CB -0.289 38.635 39.000 -0.127 0.000 0.975 1009 F HN 0.153 nan 8.300 nan 0.000 0.476 1010 Q N -0.515 119.051 119.800 -0.390 0.000 2.079 1010 Q HA -0.224 4.132 4.340 0.027 0.000 0.200 1010 Q C 1.874 177.696 176.000 -0.296 0.000 0.974 1010 Q CA 1.693 57.270 55.803 -0.377 0.000 0.840 1010 Q CB -0.380 28.179 28.738 -0.298 0.000 0.898 1010 Q HN 0.445 nan 8.270 nan 0.000 0.430 1011 D N 0.267 120.522 120.400 -0.241 0.000 2.219 1011 D HA -0.097 4.559 4.640 0.027 0.000 0.205 1011 D C 1.481 177.620 176.300 -0.267 0.000 0.970 1011 D CA 0.795 54.679 54.000 -0.194 0.000 0.851 1011 D CB 0.084 40.808 40.800 -0.127 0.000 0.943 1011 D HN 0.202 nan 8.370 nan 0.000 0.488 1012 I N -0.606 119.731 120.570 -0.389 0.000 2.277 1012 I HA -0.224 3.963 4.170 0.027 0.000 0.243 1012 I C 2.535 178.332 176.117 -0.533 0.000 1.094 1012 I CA 0.352 61.347 61.300 -0.507 0.000 1.393 1012 I CB -0.224 37.353 38.000 -0.704 0.000 1.078 1012 I HN 0.124 nan 8.210 nan 0.000 0.417 1013 C N 0.240 119.189 119.300 -0.586 0.000 2.398 1013 C HA -0.161 4.316 4.460 0.027 0.000 0.276 1013 C C 2.934 177.625 174.990 -0.498 0.000 1.222 1013 C CA 0.928 59.614 59.018 -0.555 0.000 1.746 1013 C CB -0.656 26.818 27.740 -0.444 0.000 2.039 1013 C HN 0.350 nan 8.230 nan 0.000 0.470 1014 V N 0.578 120.310 119.914 -0.303 0.000 2.261 1014 V HA -0.238 3.899 4.120 0.027 0.000 0.246 1014 V C 2.474 178.466 176.094 -0.171 0.000 1.047 1014 V CA 1.912 64.111 62.300 -0.168 0.000 1.015 1014 V CB -0.644 31.140 31.823 -0.065 0.000 0.642 1014 V HN 0.544 nan 8.190 nan 0.000 0.446 1015 K N -0.043 120.235 120.400 -0.202 0.000 1.978 1015 K HA -0.225 4.112 4.320 0.027 0.000 0.214 1015 K C 2.350 178.839 176.600 -0.185 0.000 1.049 1015 K CA 1.714 57.896 56.287 -0.176 0.000 0.939 1015 K CB -0.602 31.784 32.500 -0.189 0.000 0.721 1015 K HN 0.450 nan 8.250 nan 0.000 0.441 1016 A N 0.970 123.598 122.820 -0.319 0.000 1.869 1016 A HA -0.263 4.073 4.320 0.027 0.000 0.218 1016 A C 2.129 179.743 177.584 0.049 0.000 1.203 1016 A CA 2.000 53.850 52.037 -0.311 0.000 0.638 1016 A CB -1.147 17.413 19.000 -0.735 0.000 0.831 1016 A HN 0.521 nan 8.150 nan 0.000 0.450 1017 Y N 0.329 120.445 120.300 -0.306 0.000 2.207 1017 Y HA -0.136 4.430 4.550 0.027 0.000 0.287 1017 Y C 1.935 177.726 175.900 -0.181 0.000 1.156 1017 Y CA 1.787 59.687 58.100 -0.332 0.000 1.182 1017 Y CB -0.224 37.719 38.460 -0.862 0.000 0.979 1017 Y HN 0.225 nan 8.280 nan 0.000 0.521 1018 L N -0.793 120.234 121.223 -0.327 0.000 2.179 1018 L HA -0.084 4.272 4.340 0.027 0.000 0.208 1018 L C 2.708 179.348 176.870 -0.383 0.000 1.096 1018 L CA 0.864 55.475 54.840 -0.381 0.000 0.779 1018 L CB -0.851 41.063 42.059 -0.242 0.000 0.922 1018 L HN 0.302 nan 8.230 nan 0.000 0.443 1019 A N 0.228 122.955 122.820 -0.154 0.000 1.972 1019 A HA -0.140 4.196 4.320 0.027 0.000 0.219 1019 A C 2.193 179.799 177.584 0.037 0.000 1.169 1019 A CA 1.274 53.321 52.037 0.016 0.000 0.635 1019 A CB -0.480 18.665 19.000 0.242 0.000 0.810 1019 A HN 0.372 nan 8.150 nan 0.000 0.446 1020 L N -1.494 119.702 121.223 -0.044 0.000 2.179 1020 L HA -0.060 4.297 4.340 0.027 0.000 0.208 1020 L C 2.632 179.451 176.870 -0.086 0.000 1.096 1020 L CA 0.794 55.581 54.840 -0.087 0.000 0.779 1020 L CB -0.484 41.497 42.059 -0.131 0.000 0.922 1020 L HN 0.329 nan 8.230 nan 0.000 0.443 1021 R N -0.596 119.757 120.500 -0.244 0.000 2.193 1021 R HA -0.150 4.206 4.340 0.027 0.000 0.229 1021 R C 1.879 178.116 176.300 -0.105 0.000 1.110 1021 R CA 0.993 56.945 56.100 -0.246 0.000 0.988 1021 R CB -0.356 29.708 30.300 -0.394 0.000 0.871 1021 R HN 0.538 nan 8.270 nan 0.000 0.458 1022 H N -1.427 117.606 119.070 -0.062 0.000 2.524 1022 H HA 0.018 4.590 4.556 0.027 0.000 0.282 1022 H C 0.602 175.756 175.328 -0.289 0.000 1.016 1022 H CA 0.441 56.411 56.048 -0.129 0.000 1.270 1022 H CB 0.322 30.032 29.762 -0.087 0.000 1.394 1022 H HN 0.291 nan 8.280 nan 0.000 0.568 1023 H N -0.577 118.504 119.070 0.019 0.000 2.467 1023 H HA 0.115 4.687 4.556 0.028 0.000 0.275 1023 H C 0.974 176.274 175.328 -0.046 0.000 1.131 1023 H CA -0.050 55.984 56.048 -0.024 0.000 0.989 1023 H CB 0.722 30.456 29.762 -0.048 0.000 1.696 1023 H HN 0.252 nan 8.280 nan 0.000 0.574 1024 T N 1.197 115.759 114.554 0.013 0.000 2.635 1024 T HA -0.193 4.174 4.350 0.027 0.000 0.267 1024 T C 1.890 176.586 174.700 -0.006 0.000 1.040 1024 T CA 1.699 63.786 62.100 -0.023 0.000 1.156 1024 T CB 0.066 68.907 68.868 -0.045 0.000 0.863 1024 T HN 0.428 nan 8.240 nan 0.000 0.430 1025 N N 1.048 119.746 118.700 -0.002 0.000 2.069 1025 N HA -0.011 4.745 4.740 0.027 0.000 0.191 1025 N C 1.792 177.320 175.510 0.030 0.000 1.031 1025 N CA 0.687 53.744 53.050 0.011 0.000 0.852 1025 N CB -0.748 37.742 38.487 0.005 0.000 1.018 1025 N HN 0.240 nan 8.380 nan 0.000 0.423 1026 L N 0.591 121.840 121.223 0.043 0.000 1.989 1026 L HA -0.158 4.199 4.340 0.027 0.000 0.211 1026 L C 1.878 178.788 176.870 0.066 0.000 1.071 1026 L CA 1.428 56.305 54.840 0.062 0.000 0.749 1026 L CB -0.401 41.725 42.059 0.112 0.000 0.890 1026 L HN 0.204 nan 8.230 nan 0.000 0.431 1027 L N -0.551 120.703 121.223 0.050 0.000 2.046 1027 L HA -0.274 4.083 4.340 0.027 0.000 0.208 1027 L C 2.539 179.453 176.870 0.074 0.000 1.077 1027 L CA 1.246 56.109 54.840 0.039 0.000 0.747 1027 L CB -0.428 41.623 42.059 -0.014 0.000 0.896 1027 L HN 0.268 nan 8.230 nan 0.000 0.432 1028 I N -0.356 120.241 120.570 0.045 0.000 2.163 1028 I HA -0.326 3.860 4.170 0.027 0.000 0.243 1028 I C 2.516 178.706 176.117 0.123 0.000 1.085 1028 I CA 1.364 62.703 61.300 0.065 0.000 1.347 1028 I CB -0.111 37.901 38.000 0.020 0.000 1.044 1028 I HN 0.200 nan 8.210 nan 0.000 0.408 1029 I N 0.618 121.241 120.570 0.088 0.000 2.252 1029 I HA -0.261 3.925 4.170 0.027 0.000 0.245 1029 I C 2.211 178.383 176.117 0.091 0.000 1.102 1029 I CA 1.724 63.071 61.300 0.079 0.000 1.385 1029 I CB -0.152 37.883 38.000 0.058 0.000 1.064 1029 I HN 0.074 nan 8.210 nan 0.000 0.414 1030 L N -1.038 120.248 121.223 0.105 0.000 2.056 1030 L HA -0.198 4.159 4.340 0.027 0.000 0.207 1030 L C 2.495 179.420 176.870 0.091 0.000 1.078 1030 L CA 1.464 56.361 54.840 0.096 0.000 0.749 1030 L CB -0.930 41.186 42.059 0.094 0.000 0.901 1030 L HN 0.258 nan 8.230 nan 0.000 0.433 1031 F N 0.333 120.279 119.950 -0.006 0.000 2.134 1031 F HA -0.247 4.296 4.527 0.027 0.000 0.299 1031 F C 2.842 178.637 175.800 -0.008 0.000 1.097 1031 F CA 1.736 59.728 58.000 -0.012 0.000 1.264 1031 F CB -0.181 38.818 39.000 -0.003 0.000 1.001 1031 F HN -0.049 nan 8.300 nan 0.000 0.479 1032 S N 0.131 115.916 115.700 0.143 0.000 2.348 1032 S HA -0.221 4.266 4.470 0.027 0.000 0.221 1032 S C 2.137 176.718 174.600 -0.032 0.000 1.033 1032 S CA 1.679 59.906 58.200 0.045 0.000 1.010 1032 S CB -0.310 62.928 63.200 0.063 0.000 0.891 1032 S HN 0.461 nan 8.310 nan 0.000 0.442 1033 M N 0.524 120.132 119.600 0.013 0.000 2.159 1033 M HA -0.106 4.391 4.480 0.027 0.000 0.263 1033 M C 2.370 178.690 176.300 0.032 0.000 1.063 1033 M CA 1.613 56.964 55.300 0.084 0.000 1.110 1033 M CB -0.391 32.294 32.600 0.141 0.000 1.374 1033 M HN 0.493 nan 8.290 nan 0.000 0.411 1034 M N 0.753 120.310 119.600 -0.070 0.000 2.080 1034 M HA -0.231 4.266 4.480 0.027 0.000 0.260 1034 M C 1.812 178.006 176.300 -0.176 0.000 1.068 1034 M CA 1.799 57.013 55.300 -0.144 0.000 1.109 1034 M CB -0.135 32.336 32.600 -0.216 0.000 1.342 1034 M HN 0.251 nan 8.290 nan 0.000 0.405 1035 L N -0.442 120.634 121.223 -0.244 0.000 2.141 1035 L HA -0.174 4.182 4.340 0.027 0.000 0.209 1035 L C 2.478 179.288 176.870 -0.099 0.000 1.094 1035 L CA 0.967 55.681 54.840 -0.211 0.000 0.763 1035 L CB -0.651 41.248 42.059 -0.267 0.000 0.908 1035 L HN 0.455 nan 8.230 nan 0.000 0.437 1036 M N -0.528 119.048 119.600 -0.039 0.000 2.193 1036 M HA -0.088 4.409 4.480 0.027 0.000 0.265 1036 M C 2.350 178.668 176.300 0.029 0.000 1.071 1036 M CA 2.024 57.344 55.300 0.034 0.000 1.140 1036 M CB -0.471 32.210 32.600 0.136 0.000 1.369 1036 M HN 0.362 nan 8.290 nan 0.000 0.423 1037 T N -3.305 111.252 114.554 0.005 0.000 3.057 1037 T HA 0.171 4.538 4.350 0.027 0.000 0.254 1037 T C 1.408 176.054 174.700 -0.089 0.000 1.094 1037 T CA 0.966 63.017 62.100 -0.081 0.000 1.088 1037 T CB 0.100 68.887 68.868 -0.136 0.000 0.934 1037 T HN 0.447 nan 8.240 nan 0.000 0.497 1038 G N 0.463 109.214 108.800 -0.082 0.000 3.738 1038 G HA2 0.323 4.299 3.960 0.027 0.000 0.241 1038 G HA3 0.323 4.299 3.960 0.027 0.000 0.241 1038 G C 0.329 175.189 174.900 -0.067 0.000 1.068 1038 G CA -0.430 44.621 45.100 -0.080 0.000 0.899 1038 G HN 0.353 nan 8.290 nan 0.000 0.519 1039 M N 3.110 122.669 119.600 -0.068 0.000 2.741 1039 M HA 0.296 4.792 4.480 0.027 0.000 0.283 1039 M C -2.846 173.439 176.300 -0.025 0.000 1.176 1039 M CA -1.885 53.382 55.300 -0.054 0.000 1.139 1039 M CB 0.715 33.260 32.600 -0.092 0.000 1.234 1039 M HN -0.085 nan 8.290 nan 0.000 0.497 1040 P HA 0.105 nan 4.420 nan 0.000 0.267 1040 P C 0.309 177.624 177.300 0.026 0.000 1.205 1040 P CA 0.690 63.792 63.100 0.003 0.000 0.765 1040 P CB 1.325 33.026 31.700 0.000 0.000 0.828 1041 Q N 0.555 120.385 119.800 0.049 0.000 5.467 1041 Q HA -0.183 4.173 4.340 0.027 0.000 0.277 1041 Q C 0.547 176.612 176.000 0.109 0.000 2.282 1041 Q CA 0.906 56.757 55.803 0.080 0.000 0.387 1041 Q CB -1.676 27.102 28.738 0.066 0.000 0.222 1041 Q HN 0.400 nan 8.270 nan 0.000 0.654 1042 L N 3.319 124.581 121.223 0.065 0.000 3.314 1042 L HA -0.075 4.281 4.340 0.027 0.000 0.281 1042 L C 1.090 177.960 176.870 -0.000 0.000 1.427 1042 L CA 0.738 55.602 54.840 0.040 0.000 1.172 1042 L CB -0.807 41.260 42.059 0.014 0.000 1.433 1042 L HN 0.493 nan 8.230 nan 0.000 0.436 1043 T N -1.766 112.795 114.554 0.012 0.000 3.397 1043 T HA -0.029 4.337 4.350 0.027 0.000 0.233 1043 T C 1.464 176.003 174.700 -0.270 0.000 0.969 1043 T CA 0.768 62.790 62.100 -0.130 0.000 1.316 1043 T CB 0.417 69.197 68.868 -0.147 0.000 1.175 1043 T HN 0.674 nan 8.240 nan 0.000 0.381 1044 S N 1.902 117.279 115.700 -0.538 0.000 2.158 1044 S HA -0.472 4.014 4.470 0.027 0.000 0.217 1044 S C 1.232 175.500 174.600 -0.553 0.000 1.174 1044 S CA 3.248 61.123 58.200 -0.542 0.000 1.743 1044 S CB -1.417 61.749 63.200 -0.056 0.000 2.357 1044 S HN 0.913 nan 8.310 nan 0.000 0.601 1045 K N -0.596 119.591 120.400 -0.356 0.000 3.143 1045 K HA -0.214 4.123 4.320 0.027 0.000 0.344 1045 K C 0.629 177.185 176.600 -0.075 0.000 0.677 1045 K CA 1.908 58.074 56.287 -0.203 0.000 1.502 1045 K CB -1.885 30.492 32.500 -0.205 0.000 1.096 1045 K HN 0.525 nan 8.250 nan 0.000 0.511 1046 E N 1.296 121.462 120.200 -0.056 0.000 2.268 1046 E HA -0.033 4.334 4.350 0.027 0.000 0.195 1046 E C 1.059 177.692 176.600 0.055 0.000 0.995 1046 E CA 1.390 57.796 56.400 0.009 0.000 0.836 1046 E CB -0.028 29.683 29.700 0.018 0.000 0.763 1046 E HN 0.454 nan 8.360 nan 0.000 0.491 1047 D N 0.056 120.482 120.400 0.043 0.000 2.137 1047 D HA -0.050 4.607 4.640 0.027 0.000 0.202 1047 D C 1.969 178.411 176.300 0.237 0.000 0.970 1047 D CA 0.738 54.797 54.000 0.097 0.000 0.837 1047 D CB -0.012 40.806 40.800 0.030 0.000 0.981 1047 D HN 0.252 nan 8.370 nan 0.000 0.475 1048 I N 1.304 121.989 120.570 0.191 0.000 2.179 1048 I HA -0.205 3.981 4.170 0.027 0.000 0.242 1048 I C 1.970 178.223 176.117 0.226 0.000 1.088 1048 I CA 1.111 62.601 61.300 0.315 0.000 1.357 1048 I CB -0.536 37.549 38.000 0.142 0.000 1.051 1048 I HN -0.126 nan 8.210 nan 0.000 0.409 1049 E N 0.274 120.538 120.200 0.106 0.000 2.455 1049 E HA -0.251 4.116 4.350 0.027 0.000 0.202 1049 E C 1.835 178.439 176.600 0.006 0.000 1.045 1049 E CA 0.821 57.242 56.400 0.035 0.000 0.872 1049 E CB -0.276 29.433 29.700 0.014 0.000 0.792 1049 E HN 0.591 nan 8.360 nan 0.000 0.542 1050 Y N 0.978 121.246 120.300 -0.053 0.000 2.145 1050 Y HA -0.228 4.339 4.550 0.028 0.000 0.286 1050 Y C 2.038 177.803 175.900 -0.225 0.000 1.145 1050 Y CA 1.401 59.440 58.100 -0.103 0.000 1.148 1050 Y CB -0.115 38.305 38.460 -0.067 0.000 0.981 1050 Y HN 0.012 nan 8.280 nan 0.000 0.507 1051 I N 0.078 120.467 120.570 -0.302 0.000 2.423 1051 I HA -0.327 3.860 4.170 0.027 0.000 0.254 1051 I C 2.452 178.367 176.117 -0.337 0.000 1.151 1051 I CA 1.272 62.285 61.300 -0.478 0.000 1.421 1051 I CB -0.225 37.291 38.000 -0.808 0.000 1.079 1051 I HN 0.302 nan 8.210 nan 0.000 0.431 1052 R N 0.779 121.138 120.500 -0.235 0.000 2.070 1052 R HA -0.193 4.164 4.340 0.027 0.000 0.232 1052 R C 2.019 178.199 176.300 -0.199 0.000 1.138 1052 R CA 2.212 58.212 56.100 -0.166 0.000 0.936 1052 R CB -0.321 29.914 30.300 -0.109 0.000 0.839 1052 R HN 0.408 nan 8.270 nan 0.000 0.429 1053 D N 0.188 120.441 120.400 -0.246 0.000 2.103 1053 D HA -0.238 4.418 4.640 0.027 0.000 0.190 1053 D C 1.806 177.955 176.300 -0.250 0.000 0.997 1053 D CA 1.804 55.654 54.000 -0.251 0.000 0.833 1053 D CB -0.408 40.243 40.800 -0.248 0.000 0.961 1053 D HN 0.342 nan 8.370 nan 0.000 0.447 1054 A N 0.990 123.566 122.820 -0.405 0.000 1.892 1054 A HA -0.157 4.179 4.320 0.027 0.000 0.218 1054 A C 2.362 180.007 177.584 0.103 0.000 1.188 1054 A CA 1.163 53.023 52.037 -0.295 0.000 0.631 1054 A CB -0.898 17.640 19.000 -0.769 0.000 0.822 1054 A HN 0.233 nan 8.150 nan 0.000 0.447 1055 L N -0.664 120.531 121.223 -0.047 0.000 2.610 1055 L HA 0.012 4.368 4.340 0.027 0.000 0.232 1055 L C 1.151 178.005 176.870 -0.028 0.000 1.149 1055 L CA 0.536 55.370 54.840 -0.010 0.000 0.872 1055 L CB -0.515 41.484 42.059 -0.099 0.000 0.992 1055 L HN 0.406 nan 8.230 nan 0.000 0.447 1056 T N 0.081 114.599 114.554 -0.061 0.000 3.708 1056 T HA -0.197 4.170 4.350 0.027 0.000 0.375 1056 T C 0.316 174.949 174.700 -0.111 0.000 0.763 1056 T CA 0.393 62.400 62.100 -0.156 0.000 1.915 1056 T CB -0.966 67.799 68.868 -0.173 0.000 1.783 1056 T HN 0.177 nan 8.240 nan 0.000 0.734 1057 V N 0.964 120.816 119.914 -0.104 0.000 2.901 1057 V HA 0.392 4.529 4.120 0.027 0.000 0.307 1057 V C 1.821 177.874 176.094 -0.068 0.000 1.084 1057 V CA 1.958 64.210 62.300 -0.079 0.000 1.184 1057 V CB 0.556 32.336 31.823 -0.071 0.000 0.941 1057 V HN 1.390 nan 8.190 nan 0.000 0.493 1058 G N 4.511 113.281 108.800 -0.051 0.000 2.304 1058 G HA2 -0.231 3.745 3.960 0.027 0.000 0.252 1058 G HA3 -0.231 3.745 3.960 0.027 0.000 0.252 1058 G C 0.322 175.200 174.900 -0.036 0.000 1.014 1058 G CA 0.448 45.525 45.100 -0.040 0.000 0.619 1058 G HN 0.749 nan 8.290 nan 0.000 0.525 1059 K N 1.873 122.246 120.400 -0.044 0.000 2.270 1059 K HA 0.291 4.628 4.320 0.027 0.000 0.276 1059 K C 0.727 177.316 176.600 -0.019 0.000 1.023 1059 K CA 0.102 56.370 56.287 -0.031 0.000 0.955 1059 K CB 0.772 33.248 32.500 -0.040 0.000 0.975 1059 K HN 0.772 nan 8.250 nan 0.000 0.471 1060 N N 0.271 118.968 118.700 -0.006 0.000 2.354 1060 N HA -0.020 4.736 4.740 0.027 0.000 0.246 1060 N C 0.710 176.224 175.510 0.008 0.000 1.285 1060 N CA -0.416 52.634 53.050 0.001 0.000 0.925 1060 N CB 0.763 39.255 38.487 0.007 0.000 1.174 1060 N HN 0.427 nan 8.380 nan 0.000 0.478 1061 E N -0.029 120.175 120.200 0.006 0.000 2.033 1061 E HA -0.248 4.118 4.350 0.027 0.000 0.199 1061 E C 1.324 177.945 176.600 0.036 0.000 1.011 1061 E CA 1.447 57.850 56.400 0.005 0.000 0.815 1061 E CB -0.156 29.543 29.700 -0.001 0.000 0.755 1061 E HN 0.627 nan 8.360 nan 0.000 0.451 1062 E N 0.859 121.081 120.200 0.036 0.000 2.097 1062 E HA -0.209 4.158 4.350 0.027 0.000 0.196 1062 E C 1.758 178.399 176.600 0.068 0.000 1.000 1062 E CA 1.316 57.744 56.400 0.047 0.000 0.804 1062 E CB -0.348 29.373 29.700 0.035 0.000 0.740 1062 E HN 0.320 nan 8.360 nan 0.000 0.454 1063 D N 0.219 120.658 120.400 0.064 0.000 2.178 1063 D HA -0.085 4.572 4.640 0.027 0.000 0.202 1063 D C 1.766 178.145 176.300 0.132 0.000 0.974 1063 D CA 1.366 55.413 54.000 0.079 0.000 0.841 1063 D CB 0.029 40.858 40.800 0.047 0.000 0.953 1063 D HN 0.191 nan 8.370 nan 0.000 0.478 1064 A N 0.271 123.175 122.820 0.141 0.000 2.016 1064 A HA -0.106 4.230 4.320 0.027 0.000 0.217 1064 A C 1.959 179.760 177.584 0.362 0.000 1.162 1064 A CA 0.905 53.096 52.037 0.257 0.000 0.662 1064 A CB -0.258 18.842 19.000 0.167 0.000 0.812 1064 A HN 0.064 nan 8.150 nan 0.000 0.450 1065 K N 0.039 120.573 120.400 0.223 0.000 2.116 1065 K HA -0.078 4.259 4.320 0.027 0.000 0.203 1065 K C 2.084 178.791 176.600 0.178 0.000 1.052 1065 K CA 1.362 57.767 56.287 0.198 0.000 0.952 1065 K CB -0.162 32.404 32.500 0.109 0.000 0.729 1065 K HN 0.381 nan 8.250 nan 0.000 0.446 1066 K N -0.153 120.338 120.400 0.151 0.000 2.026 1066 K HA -0.217 4.120 4.320 0.027 0.000 0.208 1066 K C 2.132 178.807 176.600 0.126 0.000 1.048 1066 K CA 1.607 57.964 56.287 0.116 0.000 0.929 1066 K CB -0.316 32.244 32.500 0.101 0.000 0.713 1066 K HN 0.204 nan 8.250 nan 0.000 0.439 1067 Y N 0.105 120.440 120.300 0.059 0.000 2.165 1067 Y HA -0.293 4.275 4.550 0.029 0.000 0.286 1067 Y C 1.971 177.836 175.900 -0.057 0.000 1.155 1067 Y CA 1.890 60.009 58.100 0.032 0.000 1.164 1067 Y CB -0.298 38.221 38.460 0.098 0.000 0.978 1067 Y HN 0.116 nan 8.280 nan 0.000 0.513 1068 F N 0.188 120.022 119.950 -0.192 0.000 2.113 1068 F HA -0.202 4.341 4.527 0.027 0.000 0.297 1068 F C 1.976 177.592 175.800 -0.307 0.000 1.103 1068 F CA 1.657 59.370 58.000 -0.478 0.000 1.248 1068 F CB -0.645 37.988 39.000 -0.613 0.000 0.999 1068 F HN 0.010 nan 8.300 nan 0.000 0.475 1069 L N -0.102 121.046 121.223 -0.125 0.000 2.127 1069 L HA -0.263 4.093 4.340 0.027 0.000 0.211 1069 L C 2.069 178.829 176.870 -0.183 0.000 1.089 1069 L CA 1.409 56.178 54.840 -0.118 0.000 0.757 1069 L CB -0.791 41.268 42.059 -0.001 0.000 0.899 1069 L HN 0.107 nan 8.230 nan 0.000 0.434 1070 D N -0.666 119.605 120.400 -0.214 0.000 2.117 1070 D HA -0.163 4.493 4.640 0.027 0.000 0.198 1070 D C 2.362 178.451 176.300 -0.350 0.000 0.982 1070 D CA 0.897 54.761 54.000 -0.227 0.000 0.828 1070 D CB -0.126 40.561 40.800 -0.189 0.000 0.967 1070 D HN 0.306 nan 8.370 nan 0.000 0.464 1071 Q N 0.254 119.716 119.800 -0.564 0.000 2.170 1071 Q HA -0.036 4.321 4.340 0.027 0.000 0.203 1071 Q C 2.511 178.140 176.000 -0.619 0.000 0.976 1071 Q CA 0.499 55.898 55.803 -0.674 0.000 0.858 1071 Q CB -0.140 28.003 28.738 -0.992 0.000 0.907 1071 Q HN 0.454 nan 8.270 nan 0.000 0.433 1072 I N 0.846 121.143 120.570 -0.455 0.000 2.614 1072 I HA -0.193 3.993 4.170 0.027 0.000 0.258 1072 I C 1.993 178.020 176.117 -0.150 0.000 1.189 1072 I CA 0.756 61.957 61.300 -0.164 0.000 1.462 1072 I CB -0.138 37.884 38.000 0.037 0.000 1.092 1072 I HN 0.085 nan 8.210 nan 0.000 0.442 1073 E N 0.666 120.757 120.200 -0.181 0.000 2.076 1073 E HA -0.079 4.287 4.350 0.027 0.000 0.190 1073 E C 2.478 178.974 176.600 -0.174 0.000 0.979 1073 E CA 0.882 57.202 56.400 -0.133 0.000 0.807 1073 E CB -0.227 29.414 29.700 -0.099 0.000 0.761 1073 E HN 0.286 nan 8.360 nan 0.000 0.454 1074 V N 1.085 120.857 119.914 -0.236 0.000 2.469 1074 V HA -0.311 3.825 4.120 0.027 0.000 0.251 1074 V C 2.491 178.443 176.094 -0.236 0.000 1.064 1074 V CA 1.562 63.732 62.300 -0.218 0.000 1.066 1074 V CB -0.772 30.914 31.823 -0.228 0.000 0.667 1074 V HN 0.280 nan 8.190 nan 0.000 0.461 1075 C N -0.516 118.591 119.300 -0.321 0.000 2.462 1075 C HA -0.087 4.390 4.460 0.027 0.000 0.278 1075 C C 2.908 177.763 174.990 -0.226 0.000 1.253 1075 C CA 0.513 59.343 59.018 -0.313 0.000 1.713 1075 C CB -1.089 26.418 27.740 -0.390 0.000 2.049 1075 C HN 0.470 nan 8.230 nan 0.000 0.477 1076 R N 1.191 121.584 120.500 -0.178 0.000 2.083 1076 R HA -0.127 4.229 4.340 0.027 0.000 0.237 1076 R C 1.661 177.876 176.300 -0.142 0.000 1.137 1076 R CA 1.755 57.764 56.100 -0.152 0.000 0.951 1076 R CB -0.949 29.285 30.300 -0.110 0.000 0.851 1076 R HN 0.581 nan 8.270 nan 0.000 0.434 1077 D N 0.508 120.834 120.400 -0.123 0.000 2.097 1077 D HA -0.130 4.526 4.640 0.027 0.000 0.195 1077 D C 1.833 178.078 176.300 -0.092 0.000 0.989 1077 D CA 1.325 55.267 54.000 -0.097 0.000 0.827 1077 D CB -0.093 40.656 40.800 -0.085 0.000 0.966 1077 D HN 0.050 nan 8.370 nan 0.000 0.456 1078 K N -0.055 120.280 120.400 -0.108 0.000 2.217 1078 K HA 0.095 4.432 4.320 0.027 0.000 0.202 1078 K C 1.506 178.051 176.600 -0.092 0.000 1.051 1078 K CA 0.690 56.928 56.287 -0.082 0.000 0.952 1078 K CB -0.283 32.173 32.500 -0.074 0.000 0.736 1078 K HN 0.198 nan 8.250 nan 0.000 0.453 1079 G N 0.574 109.263 108.800 -0.184 0.000 2.752 1079 G HA2 -0.359 3.617 3.960 0.027 0.000 0.349 1079 G HA3 -0.359 3.617 3.960 0.027 0.000 0.349 1079 G C 0.831 175.513 174.900 -0.362 0.000 1.181 1079 G CA 0.959 45.869 45.100 -0.318 0.000 0.949 1079 G HN 0.525 nan 8.290 nan 0.000 0.562 1080 W N 1.885 123.199 121.300 0.023 0.000 3.220 1080 W HA 0.322 4.998 4.660 0.028 0.000 0.328 1080 W C 2.712 179.338 176.519 0.178 0.000 1.205 1080 W CA 0.504 57.920 57.345 0.118 0.000 1.773 1080 W CB 0.084 29.644 29.460 0.168 0.000 1.086 1080 W HN 0.513 nan 8.180 nan 0.000 0.622 1081 T N 0.430 115.153 114.554 0.280 0.000 2.570 1081 T HA -0.296 4.070 4.350 0.027 0.000 0.266 1081 T C 1.740 176.619 174.700 0.299 0.000 1.071 1081 T CA 2.036 64.285 62.100 0.248 0.000 1.172 1081 T CB -1.044 67.896 68.868 0.121 0.000 0.864 1081 T HN -0.024 nan 8.240 nan 0.000 0.421 1082 V N 1.518 121.557 119.914 0.208 0.000 2.307 1082 V HA -0.155 3.981 4.120 0.027 0.000 0.245 1082 V C 2.901 179.177 176.094 0.304 0.000 1.045 1082 V CA 1.450 63.842 62.300 0.152 0.000 1.024 1082 V CB -0.851 31.042 31.823 0.116 0.000 0.651 1082 V HN 0.305 nan 8.190 nan 0.000 0.449 1083 Q N -0.490 119.586 119.800 0.460 0.000 2.112 1083 Q HA -0.234 4.123 4.340 0.027 0.000 0.206 1083 Q C 2.118 178.520 176.000 0.669 0.000 0.987 1083 Q CA 2.091 58.235 55.803 0.568 0.000 0.858 1083 Q CB -0.705 28.317 28.738 0.473 0.000 0.905 1083 Q HN 0.698 nan 8.270 nan 0.000 0.420 1084 F N 1.804 122.084 119.950 0.551 0.000 2.171 1084 F HA -0.201 4.342 4.527 0.027 0.000 0.300 1084 F C 1.535 177.510 175.800 0.291 0.000 1.090 1084 F CA 1.507 59.750 58.000 0.405 0.000 1.293 1084 F CB -0.230 38.898 39.000 0.214 0.000 1.013 1084 F HN 0.116 nan 8.300 nan 0.000 0.486 1085 N N -0.639 118.062 118.700 0.002 0.000 2.216 1085 N HA -0.148 4.609 4.740 0.027 0.000 0.183 1085 N C 1.558 177.021 175.510 -0.078 0.000 1.017 1085 N CA 1.669 54.615 53.050 -0.174 0.000 0.861 1085 N CB -0.697 37.674 38.487 -0.193 0.000 0.986 1085 N HN 0.436 nan 8.380 nan 0.000 0.428 1086 W N 0.247 121.618 121.300 0.118 0.000 2.338 1086 W HA -0.091 4.585 4.660 0.027 0.000 0.304 1086 W C 1.990 178.602 176.519 0.155 0.000 1.212 1086 W CA 0.412 57.846 57.345 0.149 0.000 1.264 1086 W CB -0.600 28.979 29.460 0.198 0.000 1.142 1086 W HN 0.012 nan 8.180 nan 0.000 0.512 1087 F N 0.461 120.568 119.950 0.262 0.000 2.075 1087 F HA -0.254 4.290 4.527 0.027 0.000 0.297 1087 F C 2.241 178.031 175.800 -0.017 0.000 1.113 1087 F CA 1.687 59.769 58.000 0.136 0.000 1.218 1087 F CB -0.604 38.493 39.000 0.162 0.000 0.984 1087 F HN -0.280 nan 8.300 nan 0.000 0.472 1088 L N -0.490 120.820 121.223 0.144 0.000 2.129 1088 L HA -0.297 4.059 4.340 0.027 0.000 0.212 1088 L C 2.347 179.227 176.870 0.017 0.000 1.087 1088 L CA 2.039 56.867 54.840 -0.021 0.000 0.757 1088 L CB -0.792 41.084 42.059 -0.304 0.000 0.896 1088 L HN 0.383 nan 8.230 nan 0.000 0.434 1089 H N -1.318 117.727 119.070 -0.043 0.000 2.316 1089 H HA -0.060 4.512 4.556 0.028 0.000 0.314 1089 H C 1.927 177.251 175.328 -0.008 0.000 1.057 1089 H CA 0.735 56.762 56.048 -0.034 0.000 1.402 1089 H CB 0.173 29.899 29.762 -0.060 0.000 1.443 1089 H HN -0.020 nan 8.280 nan 0.000 0.559 1090 L N 0.334 121.679 121.223 0.204 0.000 2.217 1090 L HA -0.019 4.338 4.340 0.027 0.000 0.211 1090 L C 1.745 178.549 176.870 -0.110 0.000 1.107 1090 L CA 1.051 55.937 54.840 0.077 0.000 0.783 1090 L CB -0.150 41.992 42.059 0.138 0.000 0.919 1090 L HN 0.326 nan 8.230 nan 0.000 0.442 1091 V N -1.795 117.986 119.914 -0.222 0.000 3.621 1091 V HA 0.064 4.201 4.120 0.027 0.000 0.263 1091 V C 1.544 177.480 176.094 -0.263 0.000 1.272 1091 V CA 0.605 62.684 62.300 -0.370 0.000 1.080 1091 V CB 0.547 31.875 31.823 -0.826 0.000 0.816 1091 V HN 0.284 nan 8.190 nan 0.000 0.451 1092 L N -1.096 120.022 121.223 -0.175 0.000 3.017 1092 L HA 0.737 5.093 4.340 0.027 0.000 0.265 1092 L C 0.917 177.728 176.870 -0.099 0.000 1.128 1092 L CA 0.540 55.321 54.840 -0.098 0.000 0.984 1092 L CB 0.685 42.733 42.059 -0.018 0.000 1.464 1092 L HN 0.338 nan 8.230 nan 0.000 0.556 1093 G N 0.000 108.713 108.800 -0.145 0.000 5.446 1093 G HA2 0.000 3.976 3.960 0.027 0.000 0.244 1093 G HA3 0.000 3.976 3.960 0.027 0.000 0.244 1093 G CA 0.000 44.986 45.100 -0.189 0.000 0.502 1093 G HN 0.000 nan 8.290 nan 0.000 0.925