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 3njx_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFGITTSSSA YVIDTNAPNQ LKFTVSRSSc DITSIIHYGT ELQYSSQGSH DATA SEQUENCE IGSGLGSATV TATQSGDYIK VTcVTDTLTQ YMVVHNGDPI IHMATYITAE DATA SEQUENCE PSIGELRFIA RLNSDLLPNE EPFGDVSTTA DGTAIEGSDV FLVGSETRSK DATA SEQUENCE FYSSERFIDD QRHcIAGDAH RVcMILNQYE SSSGGPFHRD INSNNGGSYN DATA SEQUENCE ALYWYMNSGA VQTESYRMGL HGPYSMYFSR SGTPSTSIDT SFFADLDIKG DATA SEQUENCE YVAASGRGKV AGTASGADSS MDWVVHWYND AAQYWTYTSS SGSFTSPAMK DATA SEQUENCE PGTYTMVYYQ GEYAVATSSV TVSAGSTTTK NISGSVKTGT TIFKIGEWDG DATA SEQUENCE QPTGFRNAAN QLRMHPSDSR MSSWGPLTYT VGSSALTDFP MAVFKSVNNP DATA SEQUENCE VTIKFTATSA QTGAATLRIG TTLSFAGGRP QATINSYTGS APAAPTNLDS DATA SEQUENCE RGVTRGAYRG LGEVYDVSIP SGTIVAGTNT ITINVISGSS GDTYLSPNFI DATA SEQUENCE FDCVELFQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.606 177.584 0.037 0.000 1.274 1 A CA 0.000 52.046 52.037 0.015 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 2 F N 1.981 121.879 119.950 -0.088 0.000 2.578 2 F HA 0.488 5.000 4.527 -0.025 0.000 0.381 2 F C 0.913 176.654 175.800 -0.097 0.000 1.069 2 F CA 1.839 59.776 58.000 -0.104 0.000 1.231 2 F CB 0.347 39.269 39.000 -0.130 0.000 1.086 2 F HN 1.576 nan 8.300 nan 0.000 0.564 3 G N 5.449 113.838 108.800 -0.684 0.000 2.343 3 G HA2 0.277 4.221 3.960 -0.025 0.000 0.289 3 G HA3 0.277 4.221 3.960 -0.025 0.000 0.289 3 G C -1.958 172.688 174.900 -0.424 0.000 1.295 3 G CA -0.901 43.872 45.100 -0.545 0.000 0.869 3 G HN 0.654 nan 8.290 nan 0.000 0.522 4 I N 0.797 121.188 120.570 -0.300 0.000 2.406 4 I HA 0.479 4.634 4.170 -0.025 0.000 0.290 4 I C -0.130 175.913 176.117 -0.124 0.000 0.999 4 I CA -0.627 60.536 61.300 -0.228 0.000 1.124 4 I CB 2.368 40.224 38.000 -0.241 0.000 1.289 4 I HN 0.350 nan 8.210 nan 0.000 0.441 5 T N 3.965 118.468 114.554 -0.085 0.000 2.758 5 T HA 0.339 4.674 4.350 -0.025 0.000 0.285 5 T C -0.055 174.665 174.700 0.033 0.000 0.981 5 T CA -0.428 61.649 62.100 -0.039 0.000 0.965 5 T CB 1.002 69.833 68.868 -0.062 0.000 0.927 5 T HN 0.473 nan 8.240 nan 0.000 0.448 6 T N 3.460 118.043 114.554 0.049 0.000 2.767 6 T HA 0.610 4.945 4.350 -0.025 0.000 0.284 6 T C 0.253 174.933 174.700 -0.033 0.000 0.973 6 T CA -0.730 61.410 62.100 0.067 0.000 0.996 6 T CB 0.904 69.849 68.868 0.129 0.000 0.927 6 T HN 0.695 nan 8.240 nan 0.000 0.456 7 S N 0.969 116.607 115.700 -0.103 0.000 2.709 7 S HA 0.499 4.954 4.470 -0.025 0.000 0.302 7 S C 1.543 176.051 174.600 -0.153 0.000 1.127 7 S CA -0.290 57.848 58.200 -0.104 0.000 0.905 7 S CB 1.402 64.549 63.200 -0.089 0.000 1.151 7 S HN 0.600 nan 8.310 nan 0.000 0.510 8 S N 0.799 116.431 115.700 -0.113 0.000 2.399 8 S HA -0.142 4.313 4.470 -0.025 0.000 0.231 8 S C 1.730 176.244 174.600 -0.143 0.000 1.022 8 S CA 1.474 59.605 58.200 -0.115 0.000 0.983 8 S CB -1.055 62.100 63.200 -0.074 0.000 0.803 8 S HN 1.211 nan 8.310 nan 0.000 0.480 9 S N 0.746 116.365 115.700 -0.136 0.000 2.503 9 S HA 0.702 5.157 4.470 -0.025 0.000 0.215 9 S C 0.433 174.933 174.600 -0.167 0.000 1.003 9 S CA -0.007 58.118 58.200 -0.125 0.000 0.910 9 S CB 0.042 63.193 63.200 -0.082 0.000 0.790 9 S HN 1.005 nan 8.310 nan 0.000 0.514 10 A N 0.118 122.801 122.820 -0.228 0.000 2.606 10 A HA 0.708 5.013 4.320 -0.025 0.000 0.293 10 A C -2.070 175.314 177.584 -0.334 0.000 1.082 10 A CA -0.777 51.124 52.037 -0.228 0.000 0.685 10 A CB 0.682 19.620 19.000 -0.103 0.000 1.284 10 A HN 0.262 nan 8.150 nan 0.000 0.408 11 Y N 0.197 120.460 120.300 -0.061 0.000 2.331 11 Y HA 0.522 5.056 4.550 -0.025 0.000 0.338 11 Y C 0.095 175.902 175.900 -0.155 0.000 0.992 11 Y CA -0.838 57.200 58.100 -0.103 0.000 1.121 11 Y CB 1.974 40.373 38.460 -0.102 0.000 1.184 11 Y HN 0.376 nan 8.280 nan 0.000 0.469 12 V N 5.765 125.664 119.914 -0.024 0.000 2.370 12 V HA 0.340 4.445 4.120 -0.025 0.000 0.279 12 V C -0.249 175.682 176.094 -0.272 0.000 1.029 12 V CA -0.701 61.505 62.300 -0.156 0.000 0.870 12 V CB 0.953 32.706 31.823 -0.116 0.000 0.984 12 V HN 0.484 nan 8.190 nan 0.000 0.451 13 I N 4.004 124.260 120.570 -0.524 0.000 2.354 13 I HA 0.431 4.586 4.170 -0.025 0.000 0.292 13 I C -0.198 175.632 176.117 -0.479 0.000 0.989 13 I CA -0.345 60.578 61.300 -0.628 0.000 1.188 13 I CB 1.504 38.865 38.000 -1.065 0.000 1.342 13 I HN 0.552 nan 8.210 nan 0.000 0.457 14 D N 4.590 124.802 120.400 -0.312 0.000 2.414 14 D HA 0.177 4.801 4.640 -0.025 0.000 0.232 14 D C 1.148 177.424 176.300 -0.040 0.000 1.070 14 D CA -0.228 53.682 54.000 -0.151 0.000 0.839 14 D CB 1.663 42.393 40.800 -0.117 0.000 1.079 14 D HN 0.669 nan 8.370 nan 0.000 0.521 15 T N 1.281 115.888 114.554 0.088 0.000 3.035 15 T HA -0.103 4.232 4.350 -0.025 0.000 0.268 15 T C 1.099 175.945 174.700 0.242 0.000 1.109 15 T CA 0.401 62.644 62.100 0.239 0.000 1.119 15 T CB -0.179 68.790 68.868 0.168 0.000 0.900 15 T HN 0.503 nan 8.240 nan 0.000 0.503 16 N N 0.842 119.631 118.700 0.148 0.000 2.747 16 N HA -0.166 4.559 4.740 -0.025 0.000 0.249 16 N C -0.062 175.454 175.510 0.011 0.000 1.107 16 N CA 0.621 53.716 53.050 0.075 0.000 0.707 16 N CB -1.628 36.916 38.487 0.094 0.000 1.054 16 N HN 0.955 nan 8.380 nan 0.000 0.555 17 A N -0.117 122.722 122.820 0.030 0.000 2.407 17 A HA 0.426 4.730 4.320 -0.025 0.000 0.248 17 A C -0.604 177.005 177.584 0.043 0.000 1.082 17 A CA -0.504 51.550 52.037 0.027 0.000 0.785 17 A CB 0.243 19.277 19.000 0.056 0.000 1.020 17 A HN 0.242 nan 8.150 nan 0.000 0.489 18 P HA -0.133 nan 4.420 nan 0.000 0.215 18 P C 0.665 178.019 177.300 0.090 0.000 1.157 18 P CA 1.342 64.475 63.100 0.054 0.000 0.874 18 P CB 0.110 31.843 31.700 0.055 0.000 0.790 19 N N -0.664 118.110 118.700 0.124 0.000 2.362 19 N HA 0.008 4.733 4.740 -0.025 0.000 0.204 19 N C -0.176 175.410 175.510 0.128 0.000 1.166 19 N CA 0.168 53.327 53.050 0.181 0.000 0.831 19 N CB -0.430 38.133 38.487 0.127 0.000 1.008 19 N HN 0.243 nan 8.380 nan 0.000 0.472 20 Q N 0.188 120.042 119.800 0.090 0.000 3.120 20 Q HA -0.220 4.105 4.340 -0.025 0.000 0.056 20 Q C -1.784 174.279 176.000 0.105 0.000 1.648 20 Q CA 0.275 56.112 55.803 0.056 0.000 0.302 20 Q CB -0.433 28.303 28.738 -0.002 0.000 0.588 20 Q HN 0.258 nan 8.270 nan 0.000 0.322 21 L N 4.972 126.249 121.223 0.090 0.000 2.491 21 L HA 0.580 4.905 4.340 -0.025 0.000 0.267 21 L C -1.487 175.416 176.870 0.054 0.000 0.971 21 L CA -0.031 54.849 54.840 0.067 0.000 0.857 21 L CB 1.570 43.650 42.059 0.035 0.000 1.226 21 L HN 0.490 nan 8.230 nan 0.000 0.408 22 K N 4.967 125.387 120.400 0.032 0.000 2.259 22 K HA 0.781 5.086 4.320 -0.025 0.000 0.249 22 K C -1.428 175.229 176.600 0.095 0.000 0.942 22 K CA -0.605 55.686 56.287 0.007 0.000 0.816 22 K CB 2.386 34.860 32.500 -0.043 0.000 1.155 22 K HN 0.464 nan 8.250 nan 0.000 0.428 23 F N -2.211 117.685 119.950 -0.090 0.000 2.631 23 F HA 0.507 5.019 4.527 -0.025 0.000 0.308 23 F C -0.911 174.874 175.800 -0.026 0.000 1.097 23 F CA -0.936 57.021 58.000 -0.071 0.000 0.952 23 F CB 1.502 40.450 39.000 -0.086 0.000 1.307 23 F HN 0.185 nan 8.300 nan 0.000 0.450 24 T N 2.429 117.055 114.554 0.119 0.000 2.779 24 T HA 0.616 4.950 4.350 -0.025 0.000 0.280 24 T C -0.877 173.906 174.700 0.138 0.000 0.987 24 T CA -0.588 61.536 62.100 0.040 0.000 0.966 24 T CB 1.453 70.332 68.868 0.019 0.000 0.933 24 T HN 0.573 nan 8.240 nan 0.000 0.442 25 V N 3.132 123.113 119.914 0.112 0.000 2.384 25 V HA 0.411 4.515 4.120 -0.025 0.000 0.287 25 V C 0.616 176.761 176.094 0.086 0.000 1.020 25 V CA -0.895 61.504 62.300 0.164 0.000 0.850 25 V CB 1.633 33.594 31.823 0.231 0.000 0.987 25 V HN 0.977 nan 8.190 nan 0.000 0.436 26 S N 4.694 120.434 115.700 0.068 0.000 2.525 26 S HA 0.124 4.578 4.470 -0.025 0.000 0.285 26 S C 1.265 175.866 174.600 0.002 0.000 1.283 26 S CA -0.123 58.085 58.200 0.014 0.000 1.072 26 S CB 0.211 63.426 63.200 0.026 0.000 0.867 26 S HN 0.702 nan 8.310 nan 0.000 0.492 27 R N 2.495 122.944 120.500 -0.085 0.000 2.276 27 R HA -0.015 4.310 4.340 -0.025 0.000 0.203 27 R C 2.148 178.424 176.300 -0.040 0.000 1.017 27 R CA 1.136 57.173 56.100 -0.104 0.000 1.010 27 R CB -0.110 30.024 30.300 -0.278 0.000 0.900 27 R HN 0.820 nan 8.270 nan 0.000 0.469 28 S N -0.550 115.133 115.700 -0.028 0.000 2.427 28 S HA -0.044 4.411 4.470 -0.025 0.000 0.224 28 S C 1.906 176.510 174.600 0.008 0.000 1.047 28 S CA 0.722 58.914 58.200 -0.012 0.000 0.953 28 S CB 0.222 63.411 63.200 -0.018 0.000 0.824 28 S HN 0.255 nan 8.310 nan 0.000 0.502 29 S N -1.037 114.675 115.700 0.021 0.000 2.549 29 S HA 0.238 4.692 4.470 -0.025 0.000 0.225 29 S C 1.085 175.720 174.600 0.058 0.000 1.039 29 S CA 0.430 58.649 58.200 0.031 0.000 0.942 29 S CB -0.238 62.981 63.200 0.033 0.000 0.881 29 S HN 1.063 nan 8.310 nan 0.000 0.503 30 c N 1.767 120.414 118.600 0.078 0.000 4.497 30 c HA -0.149 4.406 4.570 -0.025 0.000 0.268 30 c C -0.259 173.925 174.090 0.157 0.000 1.343 30 c CA 0.479 56.880 56.329 0.120 0.000 1.742 30 c CB -2.756 39.823 42.510 0.115 0.000 1.450 30 c HN 0.699 nan 8.230 nan 0.000 0.733 31 D N 0.546 121.031 120.400 0.142 0.000 2.455 31 D HA 0.366 4.991 4.640 -0.025 0.000 0.241 31 D C 0.489 176.878 176.300 0.148 0.000 1.138 31 D CA 0.508 54.608 54.000 0.167 0.000 0.877 31 D CB 0.430 41.319 40.800 0.149 0.000 1.187 31 D HN 0.578 nan 8.370 nan 0.000 0.451 32 I N 1.922 122.581 120.570 0.147 0.000 2.379 32 I HA 0.019 4.174 4.170 -0.025 0.000 0.290 32 I C 1.572 177.734 176.117 0.075 0.000 1.063 32 I CA 0.057 61.450 61.300 0.155 0.000 1.351 32 I CB 0.709 38.817 38.000 0.181 0.000 1.410 32 I HN 0.426 nan 8.210 nan 0.000 0.505 33 T N 0.099 114.698 114.554 0.074 0.000 2.985 33 T HA 0.140 4.475 4.350 -0.025 0.000 0.254 33 T C 0.509 175.219 174.700 0.017 0.000 1.021 33 T CA -0.272 61.843 62.100 0.024 0.000 0.957 33 T CB 0.405 69.281 68.868 0.014 0.000 1.047 33 T HN 0.458 nan 8.240 nan 0.000 0.511 34 S N 0.042 115.772 115.700 0.050 0.000 2.543 34 S HA 0.695 5.149 4.470 -0.025 0.000 0.271 34 S C -1.946 172.698 174.600 0.074 0.000 1.148 34 S CA -0.883 57.340 58.200 0.040 0.000 0.914 34 S CB 1.068 64.279 63.200 0.018 0.000 1.096 34 S HN 0.378 nan 8.310 nan 0.000 0.471 35 I N 4.867 125.463 120.570 0.043 0.000 2.500 35 I HA 0.449 4.603 4.170 -0.025 0.000 0.286 35 I C -1.037 175.074 176.117 -0.009 0.000 1.063 35 I CA -0.659 60.647 61.300 0.010 0.000 1.062 35 I CB 1.825 39.795 38.000 -0.051 0.000 1.223 35 I HN 0.506 nan 8.210 nan 0.000 0.435 36 I N 5.749 126.315 120.570 -0.007 0.000 2.328 36 I HA 0.294 4.449 4.170 -0.025 0.000 0.287 36 I C -0.194 175.955 176.117 0.053 0.000 1.012 36 I CA -0.226 61.083 61.300 0.014 0.000 1.195 36 I CB 0.770 38.771 38.000 0.001 0.000 1.350 36 I HN 0.598 nan 8.210 nan 0.000 0.464 37 H N 7.113 126.186 119.070 0.005 0.000 2.547 37 H HA 0.107 4.647 4.556 -0.025 0.000 0.342 37 H C -0.586 174.927 175.328 0.307 0.000 1.048 37 H CA -0.527 55.593 56.048 0.119 0.000 1.204 37 H CB 1.114 30.978 29.762 0.171 0.000 1.493 37 H HN 0.575 nan 8.280 nan 0.000 0.511 38 Y N 3.782 123.851 120.300 -0.385 0.000 3.108 38 Y HA -0.320 4.215 4.550 -0.025 0.000 0.208 38 Y C 1.203 177.081 175.900 -0.037 0.000 1.245 38 Y CA 1.784 59.739 58.100 -0.241 0.000 1.171 38 Y CB -1.248 37.010 38.460 -0.337 0.000 1.331 38 Y HN 1.124 nan 8.280 nan 0.000 0.534 39 G N 0.532 109.275 108.800 -0.095 0.000 2.155 39 G HA2 -0.260 3.684 3.960 -0.025 0.000 0.257 39 G HA3 -0.260 3.684 3.960 -0.025 0.000 0.257 39 G C 0.112 175.015 174.900 0.005 0.000 0.983 39 G CA 0.519 45.567 45.100 -0.085 0.000 0.676 39 G HN 0.941 nan 8.290 nan 0.000 0.528 40 T N -0.034 114.562 114.554 0.070 0.000 2.824 40 T HA 0.520 4.854 4.350 -0.025 0.000 0.282 40 T C -0.362 174.345 174.700 0.011 0.000 0.993 40 T CA -0.504 61.635 62.100 0.064 0.000 0.967 40 T CB 2.247 71.193 68.868 0.130 0.000 0.960 40 T HN 0.332 nan 8.240 nan 0.000 0.441 41 E N 2.458 122.662 120.200 0.006 0.000 2.299 41 E HA 0.197 4.531 4.350 -0.025 0.000 0.272 41 E C 0.080 176.676 176.600 -0.006 0.000 1.043 41 E CA -0.072 56.330 56.400 0.003 0.000 0.895 41 E CB 0.196 29.900 29.700 0.007 0.000 1.011 41 E HN 0.588 nan 8.360 nan 0.000 0.432 42 L N 2.732 123.960 121.223 0.008 0.000 2.609 42 L HA 0.206 4.531 4.340 -0.025 0.000 0.230 42 L C 0.609 177.522 176.870 0.072 0.000 1.087 42 L CA -0.230 54.628 54.840 0.030 0.000 0.874 42 L CB 0.135 42.235 42.059 0.070 0.000 1.114 42 L HN 0.466 nan 8.230 nan 0.000 0.488 43 Q N 0.754 120.589 119.800 0.059 0.000 2.304 43 Q HA 0.026 4.351 4.340 -0.025 0.000 0.260 43 Q C -0.628 175.414 176.000 0.070 0.000 0.965 43 Q CA -0.275 55.562 55.803 0.057 0.000 0.898 43 Q CB 0.465 29.222 28.738 0.032 0.000 1.196 43 Q HN 0.106 nan 8.270 nan 0.000 0.402 44 Y N 3.031 123.287 120.300 -0.073 0.000 2.721 44 Y HA -0.032 4.503 4.550 -0.025 0.000 0.329 44 Y C 1.152 177.007 175.900 -0.074 0.000 1.211 44 Y CA 1.065 59.117 58.100 -0.080 0.000 1.512 44 Y CB 0.645 38.981 38.460 -0.207 0.000 1.249 44 Y HN 0.863 nan 8.280 nan 0.000 0.549 45 S N 1.257 116.673 115.700 -0.473 0.000 2.436 45 S HA -0.102 4.352 4.470 -0.025 0.000 0.228 45 S C 1.591 175.925 174.600 -0.445 0.000 1.014 45 S CA 1.138 59.121 58.200 -0.362 0.000 0.950 45 S CB -0.241 62.817 63.200 -0.237 0.000 0.784 45 S HN 0.596 nan 8.310 nan 0.000 0.504 46 S N 0.402 115.599 115.700 -0.839 0.000 2.503 46 S HA 0.287 4.742 4.470 -0.025 0.000 0.217 46 S C 0.434 174.899 174.600 -0.225 0.000 0.999 46 S CA -0.191 57.718 58.200 -0.485 0.000 0.914 46 S CB 0.071 63.005 63.200 -0.444 0.000 0.782 46 S HN 0.685 nan 8.310 nan 0.000 0.520 47 Q N -0.230 119.452 119.800 -0.197 0.000 2.320 47 Q HA 0.510 4.834 4.340 -0.025 0.000 0.272 47 Q C -0.562 175.401 176.000 -0.061 0.000 1.023 47 Q CA -0.551 55.261 55.803 0.017 0.000 0.855 47 Q CB 1.730 30.567 28.738 0.165 0.000 1.367 47 Q HN 0.338 nan 8.270 nan 0.000 0.406 48 G N 1.040 109.793 108.800 -0.078 0.000 2.599 48 G HA2 0.352 4.297 3.960 -0.025 0.000 0.264 48 G HA3 0.352 4.297 3.960 -0.025 0.000 0.264 48 G C -0.624 173.916 174.900 -0.600 0.000 1.200 48 G CA -0.323 44.665 45.100 -0.187 0.000 0.896 48 G HN 0.484 nan 8.290 nan 0.000 0.536 49 S N 0.476 115.920 115.700 -0.426 0.000 2.457 49 S HA 0.587 5.041 4.470 -0.025 0.000 0.289 49 S C -0.237 174.098 174.600 -0.442 0.000 1.163 49 S CA -0.508 57.360 58.200 -0.554 0.000 1.078 49 S CB 0.436 63.510 63.200 -0.210 0.000 0.987 49 S HN 0.833 nan 8.310 nan 0.000 0.482 50 H N -0.121 118.652 119.070 -0.494 0.000 2.917 50 H HA 0.348 4.889 4.556 -0.026 0.000 0.299 50 H C -1.341 173.793 175.328 -0.323 0.000 1.418 50 H CA -1.276 54.624 56.048 -0.248 0.000 1.138 50 H CB 0.185 29.894 29.762 -0.088 0.000 1.830 50 H HN 0.286 nan 8.280 nan 0.000 0.514 51 I N 2.044 122.733 120.570 0.200 0.000 2.618 51 I HA 0.052 4.207 4.170 -0.025 0.000 0.284 51 I C 1.709 177.823 176.117 -0.005 0.000 1.146 51 I CA 2.123 63.499 61.300 0.127 0.000 1.425 51 I CB 0.008 38.090 38.000 0.136 0.000 1.383 51 I HN 1.089 nan 8.210 nan 0.000 0.562 52 G N 6.203 114.984 108.800 -0.031 0.000 2.596 52 G HA2 -0.306 3.638 3.960 -0.025 0.000 0.304 52 G HA3 -0.306 3.638 3.960 -0.025 0.000 0.304 52 G C 0.565 175.442 174.900 -0.037 0.000 1.189 52 G CA 0.454 45.519 45.100 -0.058 0.000 0.986 52 G HN 0.538 nan 8.290 nan 0.000 0.548 53 S N 1.853 117.465 115.700 -0.146 0.000 2.575 53 S HA 0.553 5.007 4.470 -0.025 0.000 0.237 53 S C 0.612 174.776 174.600 -0.726 0.000 0.975 53 S CA 1.331 59.408 58.200 -0.206 0.000 0.960 53 S CB 0.117 63.288 63.200 -0.048 0.000 0.822 53 S HN 2.375 nan 8.310 nan 0.000 0.472 54 G N 0.618 108.810 108.800 -1.013 0.000 2.742 54 G HA2 -0.094 3.851 3.960 -0.025 0.000 0.686 54 G HA3 -0.094 3.851 3.960 -0.025 0.000 0.686 54 G C -0.019 174.701 174.900 -0.300 0.000 1.220 54 G CA -0.990 43.596 45.100 -0.857 0.000 0.783 54 G HN 0.215 nan 8.290 nan 0.000 0.646 55 L N 1.777 122.911 121.223 -0.148 0.000 2.291 55 L HA 0.216 4.541 4.340 -0.025 0.000 0.214 55 L C 2.711 179.550 176.870 -0.051 0.000 1.120 55 L CA 1.744 56.547 54.840 -0.062 0.000 0.799 55 L CB -0.666 41.390 42.059 -0.005 0.000 0.925 55 L HN 1.942 nan 8.230 nan 0.000 0.446 56 G N -0.495 108.270 108.800 -0.057 0.000 5.155 56 G HA2 -0.304 3.641 3.960 -0.025 0.000 0.239 56 G HA3 -0.304 3.641 3.960 -0.025 0.000 0.239 56 G C 0.320 175.213 174.900 -0.012 0.000 1.409 56 G CA 0.217 45.297 45.100 -0.035 0.000 0.927 56 G HN 0.341 nan 8.290 nan 0.000 0.710 57 S N 0.451 116.146 115.700 -0.007 0.000 2.538 57 S HA 0.860 5.315 4.470 -0.025 0.000 0.288 57 S C -0.124 174.481 174.600 0.008 0.000 1.108 57 S CA 0.400 58.601 58.200 0.002 0.000 0.971 57 S CB 1.931 65.132 63.200 0.001 0.000 1.041 57 S HN 1.954 nan 8.310 nan 0.000 0.483 58 A N 1.638 124.467 122.820 0.016 0.000 2.572 58 A HA 0.791 5.096 4.320 -0.025 0.000 0.295 58 A C -0.659 176.941 177.584 0.027 0.000 1.072 58 A CA -0.800 51.250 52.037 0.022 0.000 0.691 58 A CB 1.183 20.202 19.000 0.030 0.000 1.291 58 A HN 0.548 nan 8.150 nan 0.000 0.404 59 T N 1.706 116.277 114.554 0.028 0.000 2.723 59 T HA 0.482 4.817 4.350 -0.025 0.000 0.297 59 T C -0.281 174.451 174.700 0.054 0.000 0.925 59 T CA -0.051 62.071 62.100 0.036 0.000 1.030 59 T CB 0.221 69.107 68.868 0.031 0.000 0.905 59 T HN 0.536 nan 8.240 nan 0.000 0.502 60 V N 4.896 124.863 119.914 0.088 0.000 2.417 60 V HA 0.639 4.743 4.120 -0.025 0.000 0.291 60 V C 0.544 176.774 176.094 0.227 0.000 1.024 60 V CA -0.885 61.507 62.300 0.153 0.000 0.861 60 V CB 1.439 33.379 31.823 0.196 0.000 0.985 60 V HN 1.052 nan 8.190 nan 0.000 0.436 61 T N 1.449 116.081 114.554 0.129 0.000 2.916 61 T HA 0.913 5.248 4.350 -0.025 0.000 0.292 61 T C -0.532 174.052 174.700 -0.193 0.000 1.055 61 T CA -0.734 61.380 62.100 0.024 0.000 1.009 61 T CB 2.249 71.121 68.868 0.007 0.000 1.118 61 T HN 1.133 nan 8.240 nan 0.000 0.497 62 A N 1.176 123.720 122.820 -0.459 0.000 2.408 62 A HA 0.793 5.098 4.320 -0.025 0.000 0.295 62 A C -0.319 177.057 177.584 -0.348 0.000 1.040 62 A CA -0.759 50.956 52.037 -0.536 0.000 0.707 62 A CB 1.852 20.196 19.000 -1.094 0.000 1.235 62 A HN 1.063 nan 8.150 nan 0.000 0.418 63 T N 0.932 115.359 114.554 -0.213 0.000 2.916 63 T HA 0.503 4.837 4.350 -0.025 0.000 0.305 63 T C -1.088 173.546 174.700 -0.110 0.000 1.119 63 T CA -0.317 61.697 62.100 -0.143 0.000 1.008 63 T CB 1.530 70.347 68.868 -0.085 0.000 1.129 63 T HN 0.812 nan 8.240 nan 0.000 0.480 64 Q N 2.084 121.828 119.800 -0.093 0.000 2.257 64 Q HA 0.617 4.942 4.340 -0.025 0.000 0.255 64 Q C -1.162 174.849 176.000 0.019 0.000 0.920 64 Q CA -0.379 55.399 55.803 -0.041 0.000 0.927 64 Q CB 0.990 29.689 28.738 -0.066 0.000 1.229 64 Q HN 0.564 nan 8.270 nan 0.000 0.433 65 S N 3.024 118.774 115.700 0.084 0.000 2.542 65 S HA 0.526 4.980 4.470 -0.025 0.000 0.245 65 S C 0.091 174.795 174.600 0.173 0.000 1.325 65 S CA 0.065 58.323 58.200 0.096 0.000 1.176 65 S CB 0.966 64.203 63.200 0.061 0.000 1.045 65 S HN 1.077 nan 8.310 nan 0.000 0.481 66 G N 3.575 112.447 108.800 0.120 0.000 2.596 66 G HA2 -0.286 3.658 3.960 -0.025 0.000 0.304 66 G HA3 -0.286 3.658 3.960 -0.025 0.000 0.304 66 G C 0.099 175.038 174.900 0.065 0.000 1.189 66 G CA 0.506 45.664 45.100 0.096 0.000 0.986 66 G HN 0.572 nan 8.290 nan 0.000 0.548 67 D N 1.019 121.356 120.400 -0.106 0.000 2.325 67 D HA 0.322 4.946 4.640 -0.025 0.000 0.234 67 D C -0.062 175.869 176.300 -0.616 0.000 1.122 67 D CA 0.603 54.311 54.000 -0.488 0.000 0.850 67 D CB -0.045 40.377 40.800 -0.629 0.000 0.921 67 D HN 0.329 nan 8.370 nan 0.000 0.513 68 Y N -0.442 119.942 120.300 0.141 0.000 2.485 68 Y HA 0.509 5.043 4.550 -0.026 0.000 0.345 68 Y C 0.209 176.222 175.900 0.189 0.000 0.998 68 Y CA -0.947 57.243 58.100 0.151 0.000 1.059 68 Y CB 1.884 40.306 38.460 -0.063 0.000 1.234 68 Y HN -0.305 nan 8.280 nan 0.000 0.461 69 I N 2.709 123.451 120.570 0.288 0.000 2.465 69 I HA 0.381 4.536 4.170 -0.025 0.000 0.291 69 I C -0.789 175.358 176.117 0.050 0.000 1.014 69 I CA -0.892 60.436 61.300 0.046 0.000 1.093 69 I CB 1.990 39.889 38.000 -0.168 0.000 1.267 69 I HN 0.461 nan 8.210 nan 0.000 0.431 70 K N 6.245 126.640 120.400 -0.008 0.000 2.323 70 K HA 0.666 4.971 4.320 -0.025 0.000 0.259 70 K C -1.699 174.898 176.600 -0.005 0.000 0.947 70 K CA -0.501 55.787 56.287 0.002 0.000 0.819 70 K CB 1.808 34.290 32.500 -0.030 0.000 1.109 70 K HN 0.397 nan 8.250 nan 0.000 0.429 71 V N 3.560 123.508 119.914 0.057 0.000 2.417 71 V HA 0.355 4.460 4.120 -0.025 0.000 0.291 71 V C -0.485 175.670 176.094 0.101 0.000 1.024 71 V CA -0.588 61.738 62.300 0.042 0.000 0.861 71 V CB 1.728 33.602 31.823 0.085 0.000 0.985 71 V HN 0.865 nan 8.190 nan 0.000 0.436 72 T N 3.817 118.401 114.554 0.050 0.000 2.807 72 T HA 0.426 4.760 4.350 -0.025 0.000 0.279 72 T C -0.603 174.075 174.700 -0.037 0.000 0.993 72 T CA -0.293 61.792 62.100 -0.026 0.000 0.970 72 T CB 1.027 69.902 68.868 0.012 0.000 0.950 72 T HN 0.687 nan 8.240 nan 0.000 0.441 73 c N 3.688 122.229 118.600 -0.099 0.000 2.344 73 c HA 0.610 5.165 4.570 -0.025 0.000 0.326 73 c C 0.158 174.214 174.090 -0.057 0.000 1.201 73 c CA -0.944 55.368 56.329 -0.028 0.000 1.410 73 c CB -0.030 42.498 42.510 0.029 0.000 2.070 73 c HN 0.696 nan 8.230 nan 0.000 0.445 74 V N 4.308 124.208 119.914 -0.023 0.000 2.394 74 V HA 0.681 4.786 4.120 -0.025 0.000 0.282 74 V C 0.618 176.719 176.094 0.012 0.000 1.031 74 V CA 0.088 62.382 62.300 -0.010 0.000 0.881 74 V CB 1.668 33.494 31.823 0.004 0.000 0.982 74 V HN 1.008 nan 8.190 nan 0.000 0.451 75 T N -0.338 114.227 114.554 0.019 0.000 2.883 75 T HA 0.365 4.700 4.350 -0.025 0.000 0.284 75 T C 0.631 175.349 174.700 0.031 0.000 1.041 75 T CA -0.662 61.451 62.100 0.021 0.000 1.007 75 T CB 1.662 70.539 68.868 0.014 0.000 1.220 75 T HN 0.397 nan 8.240 nan 0.000 0.552 76 D N 1.147 121.562 120.400 0.025 0.000 2.116 76 D HA -0.080 4.544 4.640 -0.025 0.000 0.193 76 D C 1.927 178.250 176.300 0.037 0.000 0.998 76 D CA 2.427 56.445 54.000 0.030 0.000 0.836 76 D CB -0.343 40.470 40.800 0.021 0.000 0.951 76 D HN 0.863 nan 8.370 nan 0.000 0.449 77 T N -2.867 111.703 114.554 0.027 0.000 3.043 77 T HA 0.355 4.690 4.350 -0.025 0.000 0.272 77 T C 0.395 175.101 174.700 0.009 0.000 0.990 77 T CA -0.494 61.617 62.100 0.018 0.000 0.897 77 T CB 0.246 69.113 68.868 -0.001 0.000 1.111 77 T HN 0.016 nan 8.240 nan 0.000 0.529 78 L N 1.236 122.478 121.223 0.031 0.000 2.464 78 L HA 0.682 5.006 4.340 -0.025 0.000 0.266 78 L C -1.590 175.320 176.870 0.067 0.000 0.965 78 L CA -0.337 54.528 54.840 0.041 0.000 0.833 78 L CB 2.369 44.434 42.059 0.011 0.000 1.296 78 L HN 0.002 nan 8.230 nan 0.000 0.405 79 T N 2.949 117.573 114.554 0.116 0.000 2.786 79 T HA 0.371 4.705 4.350 -0.025 0.000 0.283 79 T C -0.800 173.854 174.700 -0.076 0.000 0.992 79 T CA -0.263 61.827 62.100 -0.017 0.000 0.954 79 T CB 1.434 70.271 68.868 -0.052 0.000 0.934 79 T HN 0.519 nan 8.240 nan 0.000 0.440 80 Q N 2.751 122.479 119.800 -0.120 0.000 2.257 80 Q HA 0.470 4.795 4.340 -0.025 0.000 0.255 80 Q C -1.821 174.083 176.000 -0.160 0.000 0.920 80 Q CA -0.383 55.411 55.803 -0.016 0.000 0.927 80 Q CB 0.563 29.364 28.738 0.105 0.000 1.229 80 Q HN 0.612 nan 8.270 nan 0.000 0.433 81 Y N 2.929 123.332 120.300 0.170 0.000 2.393 81 Y HA 0.568 5.103 4.550 -0.025 0.000 0.341 81 Y C -0.316 175.648 175.900 0.107 0.000 0.988 81 Y CA -0.721 57.459 58.100 0.133 0.000 1.078 81 Y CB 1.790 40.345 38.460 0.158 0.000 1.203 81 Y HN 0.520 nan 8.280 nan 0.000 0.453 82 M N 3.631 123.386 119.600 0.259 0.000 2.253 82 M HA 0.625 5.090 4.480 -0.025 0.000 0.314 82 M C -1.549 174.872 176.300 0.201 0.000 1.019 82 M CA -0.732 54.690 55.300 0.205 0.000 0.932 82 M CB 1.923 34.660 32.600 0.228 0.000 1.606 82 M HN 0.302 nan 8.290 nan 0.000 0.430 83 V N 3.899 123.939 119.914 0.210 0.000 2.588 83 V HA 0.736 4.841 4.120 -0.025 0.000 0.304 83 V C -0.587 175.722 176.094 0.359 0.000 1.042 83 V CA -0.864 61.544 62.300 0.180 0.000 0.877 83 V CB 2.044 33.809 31.823 -0.095 0.000 0.996 83 V HN 0.694 nan 8.190 nan 0.000 0.425 84 V N 0.826 120.942 119.914 0.336 0.000 2.864 84 V HA 0.665 4.770 4.120 -0.025 0.000 0.314 84 V C -0.661 175.644 176.094 0.352 0.000 1.073 84 V CA -0.582 61.951 62.300 0.388 0.000 0.956 84 V CB 2.003 34.044 31.823 0.362 0.000 1.023 84 V HN 1.002 nan 8.190 nan 0.000 0.435 85 H N 3.293 122.426 119.070 0.104 0.000 2.505 85 H HA 0.380 4.921 4.556 -0.025 0.000 0.338 85 H C -0.206 174.907 175.328 -0.358 0.000 1.057 85 H CA -0.723 55.150 56.048 -0.292 0.000 1.202 85 H CB 1.613 31.123 29.762 -0.420 0.000 1.466 85 H HN 0.945 nan 8.280 nan 0.000 0.499 86 N N 2.901 120.797 118.700 -1.341 0.000 2.236 86 N HA -0.116 4.609 4.740 -0.025 0.000 0.274 86 N C 1.136 176.091 175.510 -0.926 0.000 1.339 86 N CA 2.049 54.199 53.050 -1.499 0.000 0.845 86 N CB -0.049 37.316 38.487 -1.870 0.000 1.091 86 N HN 1.049 nan 8.380 nan 0.000 0.489 87 G N 2.570 111.098 108.800 -0.453 0.000 2.213 87 G HA2 -0.204 3.740 3.960 -0.025 0.000 0.226 87 G HA3 -0.204 3.740 3.960 -0.025 0.000 0.226 87 G C -0.665 174.162 174.900 -0.121 0.000 0.992 87 G CA 0.078 45.027 45.100 -0.252 0.000 0.632 87 G HN 0.643 nan 8.290 nan 0.000 0.511 88 D N 1.487 121.826 120.400 -0.103 0.000 2.256 88 D HA 0.493 5.117 4.640 -0.025 0.000 0.240 88 D C -2.198 174.066 176.300 -0.061 0.000 1.062 88 D CA -1.623 52.363 54.000 -0.023 0.000 0.832 88 D CB 2.132 42.994 40.800 0.103 0.000 1.135 88 D HN 0.076 nan 8.370 nan 0.000 0.484 89 P HA 0.222 nan 4.420 nan 0.000 0.225 89 P C -0.440 176.694 177.300 -0.276 0.000 1.768 89 P CA 0.032 63.046 63.100 -0.143 0.000 0.943 89 P CB -0.275 31.378 31.700 -0.078 0.000 1.936 90 I N 0.889 121.339 120.570 -0.200 0.000 2.533 90 I HA 0.402 4.557 4.170 -0.025 0.000 0.290 90 I C 0.296 176.306 176.117 -0.179 0.000 1.056 90 I CA -1.206 59.932 61.300 -0.270 0.000 1.057 90 I CB 2.717 40.439 38.000 -0.464 0.000 1.240 90 I HN -0.163 nan 8.210 nan 0.000 0.423 91 I N 5.207 125.677 120.570 -0.166 0.000 2.307 91 I HA 0.248 4.403 4.170 -0.025 0.000 0.287 91 I C -0.016 175.969 176.117 -0.221 0.000 1.054 91 I CA -0.492 60.689 61.300 -0.198 0.000 1.218 91 I CB 0.012 37.789 38.000 -0.372 0.000 1.398 91 I HN 0.459 nan 8.210 nan 0.000 0.475 92 H N 7.328 126.443 119.070 0.075 0.000 2.652 92 H HA 0.514 5.055 4.556 -0.026 0.000 0.349 92 H C -0.246 175.097 175.328 0.025 0.000 1.099 92 H CA 0.117 56.233 56.048 0.112 0.000 1.417 92 H CB 1.489 31.512 29.762 0.436 0.000 1.457 92 H HN 0.468 nan 8.280 nan 0.000 0.568 93 M N 0.954 120.482 119.600 -0.120 0.000 2.593 93 M HA 0.612 5.077 4.480 -0.025 0.000 0.290 93 M C -0.955 175.177 176.300 -0.280 0.000 1.244 93 M CA -0.802 54.292 55.300 -0.344 0.000 0.857 93 M CB 3.016 35.004 32.600 -1.019 0.000 1.738 93 M HN 0.665 nan 8.290 nan 0.000 0.461 94 A N 0.649 123.548 122.820 0.133 0.000 2.574 94 A HA 0.845 5.150 4.320 -0.025 0.000 0.297 94 A C -1.301 176.621 177.584 0.564 0.000 1.062 94 A CA -0.622 51.656 52.037 0.401 0.000 0.686 94 A CB 1.735 20.946 19.000 0.352 0.000 1.285 94 A HN 0.662 nan 8.150 nan 0.000 0.403 95 T N 1.697 116.604 114.554 0.589 0.000 2.864 95 T HA 0.432 4.767 4.350 -0.025 0.000 0.299 95 T C -1.236 173.732 174.700 0.447 0.000 1.011 95 T CA 0.004 62.378 62.100 0.458 0.000 0.975 95 T CB 0.441 69.513 68.868 0.339 0.000 0.962 95 T HN 0.513 nan 8.240 nan 0.000 0.448 96 Y N 5.576 126.057 120.300 0.301 0.000 2.367 96 Y HA 0.631 5.166 4.550 -0.026 0.000 0.342 96 Y C -0.186 175.818 175.900 0.174 0.000 0.979 96 Y CA -1.171 57.092 58.100 0.272 0.000 1.161 96 Y CB 0.306 38.958 38.460 0.320 0.000 1.155 96 Y HN 0.669 nan 8.280 nan 0.000 0.503 97 I N 2.747 123.124 120.570 -0.320 0.000 2.530 97 I HA 0.508 4.662 4.170 -0.025 0.000 0.297 97 I C 0.328 176.182 176.117 -0.439 0.000 1.011 97 I CA -0.556 60.574 61.300 -0.285 0.000 1.107 97 I CB 2.449 40.364 38.000 -0.141 0.000 1.285 97 I HN 0.640 nan 8.210 nan 0.000 0.436 98 T N 1.372 115.770 114.554 -0.260 0.000 3.001 98 T HA 0.660 4.995 4.350 -0.025 0.000 0.251 98 T C 0.488 175.152 174.700 -0.059 0.000 1.040 98 T CA 0.280 62.289 62.100 -0.152 0.000 0.985 98 T CB 0.209 69.048 68.868 -0.049 0.000 1.011 98 T HN 0.953 nan 8.240 nan 0.000 0.509 99 A N 0.792 123.580 122.820 -0.053 0.000 2.594 99 A HA 0.681 4.986 4.320 -0.025 0.000 0.295 99 A C -1.034 176.530 177.584 -0.034 0.000 1.071 99 A CA -0.865 51.161 52.037 -0.018 0.000 0.685 99 A CB 1.494 20.492 19.000 -0.003 0.000 1.285 99 A HN 0.186 nan 8.150 nan 0.000 0.405 100 E N 1.629 121.824 120.200 -0.009 0.000 2.384 100 E HA 0.429 4.764 4.350 -0.025 0.000 0.266 100 E C -2.219 174.349 176.600 -0.053 0.000 1.012 100 E CA -0.845 55.523 56.400 -0.054 0.000 0.901 100 E CB 0.185 29.899 29.700 0.024 0.000 0.967 100 E HN 0.397 nan 8.360 nan 0.000 0.435 101 P HA -0.029 nan 4.420 nan 0.000 0.267 101 P C 0.254 177.536 177.300 -0.029 0.000 1.201 101 P CA 0.118 63.179 63.100 -0.065 0.000 0.775 101 P CB 0.629 32.273 31.700 -0.093 0.000 0.854 102 S N 1.215 116.906 115.700 -0.014 0.000 2.387 102 S HA -0.209 4.246 4.470 -0.025 0.000 0.230 102 S C 1.722 176.331 174.600 0.015 0.000 1.035 102 S CA 1.155 59.358 58.200 0.004 0.000 1.014 102 S CB -0.737 62.464 63.200 0.002 0.000 0.836 102 S HN 0.503 nan 8.310 nan 0.000 0.466 103 I N 1.225 121.799 120.570 0.008 0.000 2.567 103 I HA 0.012 4.167 4.170 -0.025 0.000 0.257 103 I C 1.505 177.650 176.117 0.047 0.000 1.184 103 I CA 1.073 62.388 61.300 0.025 0.000 1.451 103 I CB -0.708 37.304 38.000 0.021 0.000 1.089 103 I HN 0.422 nan 8.210 nan 0.000 0.441 104 G N 0.649 109.471 108.800 0.037 0.000 2.132 104 G HA2 -0.234 3.711 3.960 -0.025 0.000 0.228 104 G HA3 -0.234 3.711 3.960 -0.025 0.000 0.228 104 G C 0.114 175.046 174.900 0.054 0.000 1.000 104 G CA 0.295 45.453 45.100 0.097 0.000 0.693 104 G HN 0.663 nan 8.290 nan 0.000 0.515 105 E N -1.495 118.667 120.200 -0.064 0.000 2.433 105 E HA 0.767 5.102 4.350 -0.025 0.000 0.278 105 E C -1.555 174.914 176.600 -0.217 0.000 0.976 105 E CA -1.454 54.871 56.400 -0.124 0.000 0.793 105 E CB 1.894 31.653 29.700 0.098 0.000 1.311 105 E HN 0.619 nan 8.360 nan 0.000 0.460 106 L N 1.783 122.836 121.223 -0.284 0.000 2.406 106 L HA 0.535 4.860 4.340 -0.025 0.000 0.270 106 L C -1.197 175.441 176.870 -0.388 0.000 0.982 106 L CA -0.159 54.474 54.840 -0.346 0.000 0.843 106 L CB 1.251 43.009 42.059 -0.502 0.000 1.225 106 L HN 0.741 nan 8.230 nan 0.000 0.412 107 R N 3.369 123.650 120.500 -0.365 0.000 2.771 107 R HA 0.636 4.961 4.340 -0.025 0.000 0.274 107 R C -1.816 174.413 176.300 -0.117 0.000 0.987 107 R CA -0.795 55.034 56.100 -0.452 0.000 0.908 107 R CB 1.608 31.350 30.300 -0.930 0.000 1.213 107 R HN 0.434 nan 8.270 nan 0.000 0.468 108 F N 2.993 122.872 119.950 -0.118 0.000 2.436 108 F HA 0.580 5.092 4.527 -0.026 0.000 0.340 108 F C -0.853 174.999 175.800 0.086 0.000 1.113 108 F CA -1.155 56.892 58.000 0.079 0.000 1.022 108 F CB 1.373 40.538 39.000 0.276 0.000 1.128 108 F HN 0.555 nan 8.300 nan 0.000 0.466 109 I N 6.011 126.196 120.570 -0.643 0.000 2.418 109 I HA 0.647 4.802 4.170 -0.025 0.000 0.287 109 I C -1.136 174.482 176.117 -0.830 0.000 1.008 109 I CA -0.644 60.303 61.300 -0.589 0.000 1.104 109 I CB 1.240 39.003 38.000 -0.396 0.000 1.264 109 I HN 0.782 nan 8.210 nan 0.000 0.438 110 A N 7.968 130.534 122.820 -0.423 0.000 2.252 110 A HA 0.566 4.870 4.320 -0.025 0.000 0.309 110 A C -0.301 177.131 177.584 -0.253 0.000 1.285 110 A CA -0.597 51.306 52.037 -0.223 0.000 0.900 110 A CB 0.214 19.279 19.000 0.109 0.000 1.157 110 A HN 0.784 nan 8.150 nan 0.000 0.536 111 R N 2.999 123.298 120.500 -0.335 0.000 2.230 111 R HA 0.507 4.832 4.340 -0.025 0.000 0.337 111 R C -0.993 175.207 176.300 -0.167 0.000 1.063 111 R CA -0.007 55.835 56.100 -0.429 0.000 0.935 111 R CB 0.481 30.249 30.300 -0.887 0.000 1.121 111 R HN 0.658 nan 8.270 nan 0.000 0.486 112 L N 1.221 122.436 121.223 -0.013 0.000 2.319 112 L HA 0.368 4.693 4.340 -0.025 0.000 0.267 112 L C 0.395 177.342 176.870 0.129 0.000 1.011 112 L CA -1.280 53.605 54.840 0.075 0.000 0.818 112 L CB 1.448 43.555 42.059 0.079 0.000 1.316 112 L HN 0.506 nan 8.230 nan 0.000 0.432 113 N N 0.866 119.644 118.700 0.131 0.000 2.414 113 N HA -0.073 4.651 4.740 -0.025 0.000 0.268 113 N C 0.849 176.425 175.510 0.110 0.000 1.286 113 N CA 0.296 53.428 53.050 0.138 0.000 0.896 113 N CB 1.034 39.583 38.487 0.103 0.000 1.093 113 N HN 0.735 nan 8.380 nan 0.000 0.480 114 S N 2.283 118.046 115.700 0.106 0.000 2.496 114 S HA -0.025 4.430 4.470 -0.025 0.000 0.224 114 S C 0.907 175.547 174.600 0.065 0.000 0.996 114 S CA 0.273 58.514 58.200 0.068 0.000 0.927 114 S CB 0.290 63.505 63.200 0.026 0.000 0.774 114 S HN 0.488 nan 8.310 nan 0.000 0.524 115 D N 2.075 122.521 120.400 0.077 0.000 2.149 115 D HA 0.078 4.702 4.640 -0.025 0.000 0.201 115 D C 1.817 178.170 176.300 0.088 0.000 0.972 115 D CA 0.890 54.934 54.000 0.074 0.000 0.835 115 D CB -0.207 40.638 40.800 0.074 0.000 0.966 115 D HN 0.396 nan 8.370 nan 0.000 0.476 116 L N -0.483 120.801 121.223 0.102 0.000 2.270 116 L HA 0.085 4.410 4.340 -0.025 0.000 0.210 116 L C 0.778 177.734 176.870 0.143 0.000 1.104 116 L CA 0.465 55.387 54.840 0.137 0.000 0.804 116 L CB 0.232 42.365 42.059 0.124 0.000 0.937 116 L HN -0.131 nan 8.230 nan 0.000 0.450 117 L N 0.883 122.172 121.223 0.108 0.000 2.637 117 L HA 0.249 4.574 4.340 -0.025 0.000 0.241 117 L C -1.716 175.199 176.870 0.075 0.000 1.398 117 L CA -0.875 54.024 54.840 0.099 0.000 0.895 117 L CB 0.956 43.071 42.059 0.093 0.000 1.183 117 L HN -0.158 nan 8.230 nan 0.000 0.497 118 P HA -0.014 nan 4.420 nan 0.000 0.227 118 P C 0.013 177.343 177.300 0.049 0.000 1.161 118 P CA 0.745 63.875 63.100 0.050 0.000 0.788 118 P CB 0.340 32.069 31.700 0.048 0.000 0.822 119 N N 0.747 119.482 118.700 0.057 0.000 2.489 119 N HA 0.253 4.978 4.740 -0.025 0.000 0.284 119 N C -0.086 175.465 175.510 0.068 0.000 1.158 119 N CA -0.263 52.822 53.050 0.058 0.000 0.965 119 N CB 1.125 39.643 38.487 0.052 0.000 1.195 119 N HN 0.097 nan 8.380 nan 0.000 0.506 120 E N 0.594 120.842 120.200 0.079 0.000 2.248 120 E HA 0.373 4.708 4.350 -0.025 0.000 0.267 120 E C -0.968 175.688 176.600 0.093 0.000 0.877 120 E CA -0.543 55.919 56.400 0.102 0.000 0.759 120 E CB 2.122 31.899 29.700 0.129 0.000 1.182 120 E HN 0.421 nan 8.360 nan 0.000 0.418 121 E N 2.560 122.811 120.200 0.084 0.000 2.266 121 E HA 0.229 4.564 4.350 -0.025 0.000 0.268 121 E C -2.090 174.502 176.600 -0.015 0.000 0.879 121 E CA -1.933 54.477 56.400 0.016 0.000 0.762 121 E CB 2.246 31.947 29.700 0.003 0.000 1.199 121 E HN 0.264 nan 8.360 nan 0.000 0.422 122 P HA 0.114 nan 4.420 nan 0.000 0.261 122 P C 0.089 177.162 177.300 -0.379 0.000 1.268 122 P CA 0.241 63.120 63.100 -0.368 0.000 0.833 122 P CB 0.190 31.578 31.700 -0.520 0.000 1.231 123 F N 0.361 120.365 119.950 0.089 0.000 2.776 123 F HA 0.377 4.888 4.527 -0.027 0.000 0.300 123 F C 1.872 177.717 175.800 0.075 0.000 1.116 123 F CA 0.797 58.847 58.000 0.083 0.000 1.375 123 F CB -0.667 38.391 39.000 0.098 0.000 1.109 123 F HN 0.066 nan 8.300 nan 0.000 0.585 124 G N 1.379 110.291 108.800 0.188 0.000 2.542 124 G HA2 -0.321 3.624 3.960 -0.025 0.000 0.235 124 G HA3 -0.321 3.624 3.960 -0.025 0.000 0.235 124 G C 0.293 175.280 174.900 0.145 0.000 1.286 124 G CA 0.094 45.276 45.100 0.136 0.000 0.904 124 G HN 0.325 nan 8.290 nan 0.000 0.577 125 D N 0.675 121.144 120.400 0.114 0.000 2.324 125 D HA 0.086 4.711 4.640 -0.025 0.000 0.235 125 D C 2.395 178.769 176.300 0.122 0.000 1.095 125 D CA 1.441 55.501 54.000 0.100 0.000 0.871 125 D CB -0.450 40.392 40.800 0.071 0.000 0.906 125 D HN 1.247 nan 8.370 nan 0.000 0.522 126 V N -1.135 118.874 119.914 0.159 0.000 2.720 126 V HA -0.135 3.970 4.120 -0.025 0.000 0.256 126 V C 1.803 178.054 176.094 0.261 0.000 1.082 126 V CA 1.677 64.099 62.300 0.203 0.000 1.101 126 V CB -1.176 30.762 31.823 0.191 0.000 0.693 126 V HN 0.307 nan 8.190 nan 0.000 0.479 127 S N -1.354 114.462 115.700 0.192 0.000 2.554 127 S HA 0.202 4.657 4.470 -0.025 0.000 0.226 127 S C 0.692 175.336 174.600 0.072 0.000 0.980 127 S CA -0.003 58.277 58.200 0.134 0.000 0.939 127 S CB -0.325 62.950 63.200 0.125 0.000 0.832 127 S HN 0.519 nan 8.310 nan 0.000 0.486 128 T N 3.674 118.268 114.554 0.067 0.000 2.738 128 T HA 0.314 4.649 4.350 -0.025 0.000 0.294 128 T C 1.157 175.838 174.700 -0.032 0.000 0.914 128 T CA 0.192 62.298 62.100 0.009 0.000 1.052 128 T CB 0.932 69.812 68.868 0.021 0.000 0.897 128 T HN 0.558 nan 8.240 nan 0.000 0.522 129 T N -0.165 114.309 114.554 -0.132 0.000 3.054 129 T HA 0.435 4.770 4.350 -0.025 0.000 0.255 129 T C 1.049 175.534 174.700 -0.358 0.000 1.035 129 T CA -0.297 61.633 62.100 -0.282 0.000 0.941 129 T CB 0.147 68.693 68.868 -0.537 0.000 1.026 129 T HN 0.616 nan 8.240 nan 0.000 0.533 130 A N 2.308 124.987 122.820 -0.234 0.000 2.584 130 A HA 0.294 4.598 4.320 -0.025 0.000 0.239 130 A C 0.853 178.352 177.584 -0.142 0.000 1.043 130 A CA 0.403 52.325 52.037 -0.192 0.000 0.756 130 A CB -0.625 18.300 19.000 -0.125 0.000 0.963 130 A HN 0.533 nan 8.150 nan 0.000 0.511 131 D N -0.017 120.305 120.400 -0.129 0.000 3.076 131 D HA -0.153 4.472 4.640 -0.025 0.000 0.218 131 D C 0.533 176.805 176.300 -0.047 0.000 1.156 131 D CA 1.840 55.799 54.000 -0.068 0.000 0.921 131 D CB -1.697 39.083 40.800 -0.035 0.000 1.113 131 D HN 1.090 nan 8.370 nan 0.000 0.418 132 G N -0.336 108.401 108.800 -0.106 0.000 2.420 132 G HA2 0.505 4.450 3.960 -0.025 0.000 0.284 132 G HA3 0.505 4.450 3.960 -0.025 0.000 0.284 132 G C -0.011 175.016 174.900 0.212 0.000 1.177 132 G CA -0.067 45.044 45.100 0.019 0.000 0.841 132 G HN 0.018 nan 8.290 nan 0.000 0.527 133 T N 1.040 115.754 114.554 0.267 0.000 2.771 133 T HA 0.556 4.890 4.350 -0.025 0.000 0.281 133 T C 0.623 175.449 174.700 0.210 0.000 0.982 133 T CA -0.081 62.163 62.100 0.240 0.000 0.978 133 T CB 1.506 70.436 68.868 0.104 0.000 0.930 133 T HN 0.856 nan 8.240 nan 0.000 0.447 134 A N 2.928 125.783 122.820 0.058 0.000 2.520 134 A HA 0.385 4.690 4.320 -0.025 0.000 0.245 134 A C 1.196 178.633 177.584 -0.245 0.000 1.072 134 A CA -0.203 51.592 52.037 -0.404 0.000 0.761 134 A CB -0.514 18.221 19.000 -0.441 0.000 1.004 134 A HN 1.021 nan 8.150 nan 0.000 0.499 135 I N -1.685 118.699 120.570 -0.310 0.000 4.323 135 I HA 0.451 4.606 4.170 -0.025 0.000 0.328 135 I C 0.404 176.373 176.117 -0.247 0.000 1.310 135 I CA 0.121 61.283 61.300 -0.230 0.000 1.186 135 I CB 0.378 38.242 38.000 -0.227 0.000 1.130 135 I HN 0.599 nan 8.210 nan 0.000 0.411 136 E N 1.410 121.432 120.200 -0.297 0.000 2.307 136 E HA 0.448 4.782 4.350 -0.025 0.000 0.280 136 E C 0.414 176.885 176.600 -0.216 0.000 0.900 136 E CA -0.001 56.270 56.400 -0.215 0.000 0.790 136 E CB 1.658 31.246 29.700 -0.187 0.000 1.261 136 E HN 0.361 nan 8.360 nan 0.000 0.405 137 G N 3.001 111.715 108.800 -0.142 0.000 2.627 137 G HA2 -0.374 3.571 3.960 -0.025 0.000 0.312 137 G HA3 -0.374 3.571 3.960 -0.025 0.000 0.312 137 G C 0.552 175.354 174.900 -0.164 0.000 1.299 137 G CA 0.650 45.683 45.100 -0.112 0.000 0.989 137 G HN 1.046 nan 8.290 nan 0.000 0.547 138 S N 0.047 115.672 115.700 -0.125 0.000 2.663 138 S HA 0.434 4.888 4.470 -0.025 0.000 0.243 138 S C 0.720 175.249 174.600 -0.118 0.000 1.009 138 S CA 0.889 59.014 58.200 -0.124 0.000 0.988 138 S CB 0.671 63.883 63.200 0.020 0.000 0.896 138 S HN 1.009 nan 8.310 nan 0.000 0.502 139 D N 0.099 120.381 120.400 -0.196 0.000 2.502 139 D HA 0.179 4.804 4.640 -0.025 0.000 0.232 139 D C -0.030 176.241 176.300 -0.047 0.000 1.137 139 D CA -0.058 53.959 54.000 0.027 0.000 0.827 139 D CB 0.155 41.064 40.800 0.183 0.000 1.141 139 D HN 0.287 nan 8.370 nan 0.000 0.517 140 V N 1.078 120.784 119.914 -0.347 0.000 2.495 140 V HA 0.574 4.678 4.120 -0.025 0.000 0.298 140 V C -0.950 174.854 176.094 -0.482 0.000 1.031 140 V CA -0.681 61.469 62.300 -0.249 0.000 0.871 140 V CB 1.317 33.023 31.823 -0.195 0.000 0.988 140 V HN -0.049 nan 8.190 nan 0.000 0.432 141 F N 3.127 123.049 119.950 -0.046 0.000 2.593 141 F HA 0.644 5.155 4.527 -0.026 0.000 0.320 141 F C -0.212 175.579 175.800 -0.016 0.000 1.060 141 F CA -0.856 57.125 58.000 -0.032 0.000 0.940 141 F CB 1.973 40.963 39.000 -0.016 0.000 1.268 141 F HN 0.195 nan 8.300 nan 0.000 0.475 142 L N 2.668 123.998 121.223 0.179 0.000 2.265 142 L HA 0.546 4.871 4.340 -0.025 0.000 0.289 142 L C -1.065 175.876 176.870 0.119 0.000 1.033 142 L CA -0.777 54.132 54.840 0.115 0.000 0.814 142 L CB 1.387 43.481 42.059 0.059 0.000 1.203 142 L HN 0.310 nan 8.230 nan 0.000 0.423 143 V N 4.534 124.505 119.914 0.096 0.000 2.311 143 V HA 0.559 4.664 4.120 -0.025 0.000 0.275 143 V C 0.901 177.024 176.094 0.048 0.000 1.022 143 V CA 0.353 62.689 62.300 0.060 0.000 0.830 143 V CB 0.389 32.239 31.823 0.044 0.000 1.012 143 V HN 1.084 nan 8.190 nan 0.000 0.452 144 G N 5.446 114.270 108.800 0.039 0.000 2.596 144 G HA2 -0.334 3.611 3.960 -0.025 0.000 0.304 144 G HA3 -0.334 3.611 3.960 -0.025 0.000 0.304 144 G C 1.005 175.926 174.900 0.036 0.000 1.189 144 G CA 0.801 45.921 45.100 0.033 0.000 0.986 144 G HN 1.454 nan 8.290 nan 0.000 0.548 145 S N 0.537 116.257 115.700 0.033 0.000 2.557 145 S HA 0.451 4.905 4.470 -0.025 0.000 0.223 145 S C 0.390 175.014 174.600 0.040 0.000 0.969 145 S CA 0.869 59.089 58.200 0.033 0.000 0.927 145 S CB 0.435 63.650 63.200 0.026 0.000 0.806 145 S HN 0.689 nan 8.310 nan 0.000 0.489 146 E N 2.779 123.008 120.200 0.049 0.000 2.166 146 E HA 0.345 4.680 4.350 -0.025 0.000 0.275 146 E C -0.449 176.204 176.600 0.088 0.000 0.941 146 E CA -0.555 55.881 56.400 0.059 0.000 0.784 146 E CB 1.540 31.273 29.700 0.056 0.000 1.115 146 E HN 0.449 nan 8.360 nan 0.000 0.399 147 T N 1.660 116.276 114.554 0.103 0.000 2.907 147 T HA 0.428 4.763 4.350 -0.025 0.000 0.298 147 T C 0.084 174.944 174.700 0.267 0.000 1.017 147 T CA -0.849 61.348 62.100 0.161 0.000 1.118 147 T CB 0.851 69.821 68.868 0.171 0.000 0.948 147 T HN 0.254 nan 8.240 nan 0.000 0.531 148 R N 1.364 122.061 120.500 0.330 0.000 2.698 148 R HA 0.765 5.090 4.340 -0.025 0.000 0.275 148 R C -1.204 175.240 176.300 0.239 0.000 1.001 148 R CA -0.809 55.503 56.100 0.352 0.000 0.896 148 R CB 2.025 32.452 30.300 0.212 0.000 1.218 148 R HN 0.783 nan 8.270 nan 0.000 0.462 149 S N 0.198 115.901 115.700 0.005 0.000 2.542 149 S HA 0.146 4.600 4.470 -0.025 0.000 0.276 149 S C 0.547 175.034 174.600 -0.188 0.000 1.148 149 S CA -0.693 57.363 58.200 -0.240 0.000 0.886 149 S CB 1.248 63.980 63.200 -0.780 0.000 1.109 149 S HN 0.674 nan 8.310 nan 0.000 0.458 150 K N 2.087 122.437 120.400 -0.083 0.000 2.218 150 K HA -0.122 4.183 4.320 -0.025 0.000 0.205 150 K C 0.991 177.440 176.600 -0.251 0.000 1.046 150 K CA 1.838 58.043 56.287 -0.137 0.000 0.933 150 K CB -0.541 31.850 32.500 -0.181 0.000 0.728 150 K HN 0.555 nan 8.250 nan 0.000 0.454 151 F N 0.656 120.437 119.950 -0.282 0.000 2.365 151 F HA -0.074 4.438 4.527 -0.026 0.000 0.300 151 F C 1.282 177.015 175.800 -0.112 0.000 1.090 151 F CA 0.652 58.499 58.000 -0.255 0.000 1.408 151 F CB -0.162 38.658 39.000 -0.300 0.000 1.060 151 F HN -0.037 nan 8.300 nan 0.000 0.534 152 Y N -0.775 119.587 120.300 0.103 0.000 2.529 152 Y HA -0.004 4.531 4.550 -0.025 0.000 0.290 152 Y C 2.317 178.176 175.900 -0.068 0.000 1.177 152 Y CA -0.031 58.072 58.100 0.005 0.000 1.305 152 Y CB -1.535 36.946 38.460 0.034 0.000 1.047 152 Y HN 0.057 nan 8.280 nan 0.000 0.522 153 S N -1.345 114.416 115.700 0.102 0.000 2.558 153 S HA 0.035 4.489 4.470 -0.025 0.000 0.217 153 S C 0.973 175.618 174.600 0.074 0.000 0.975 153 S CA -0.085 58.199 58.200 0.141 0.000 0.912 153 S CB -0.619 62.675 63.200 0.156 0.000 0.776 153 S HN 0.281 nan 8.310 nan 0.000 0.526 154 S N 0.975 116.657 115.700 -0.031 0.000 2.579 154 S HA 0.532 4.987 4.470 -0.025 0.000 0.275 154 S C -0.418 174.181 174.600 -0.002 0.000 1.345 154 S CA -0.448 57.757 58.200 0.008 0.000 1.031 154 S CB 0.911 64.109 63.200 -0.003 0.000 0.892 154 S HN 0.477 nan 8.310 nan 0.000 0.529 155 E N 0.303 120.605 120.200 0.170 0.000 2.366 155 E HA 0.323 4.658 4.350 -0.025 0.000 0.278 155 E C -1.123 175.615 176.600 0.230 0.000 0.923 155 E CA -0.670 55.882 56.400 0.253 0.000 0.761 155 E CB 1.291 31.283 29.700 0.486 0.000 1.231 155 E HN 0.684 nan 8.360 nan 0.000 0.443 156 R N 3.443 124.041 120.500 0.164 0.000 2.537 156 R HA 0.037 4.361 4.340 -0.025 0.000 0.281 156 R C 0.510 176.916 176.300 0.177 0.000 0.988 156 R CA 0.015 56.164 56.100 0.083 0.000 1.077 156 R CB 0.077 30.447 30.300 0.117 0.000 0.932 156 R HN 0.492 nan 8.270 nan 0.000 0.409 157 F N 1.917 121.745 119.950 -0.202 0.000 2.202 157 F HA -0.200 4.311 4.527 -0.027 0.000 0.301 157 F C 2.200 177.765 175.800 -0.391 0.000 1.082 157 F CA 0.650 58.403 58.000 -0.412 0.000 1.313 157 F CB -0.586 38.067 39.000 -0.578 0.000 1.024 157 F HN 0.579 nan 8.300 nan 0.000 0.495 158 I N -0.085 120.287 120.570 -0.330 0.000 2.423 158 I HA -0.275 3.880 4.170 -0.025 0.000 0.254 158 I C 1.103 177.320 176.117 0.168 0.000 1.151 158 I CA 1.695 62.858 61.300 -0.228 0.000 1.421 158 I CB -0.157 37.448 38.000 -0.659 0.000 1.079 158 I HN -0.048 nan 8.210 nan 0.000 0.431 159 D N -0.117 120.401 120.400 0.197 0.000 2.402 159 D HA 0.065 4.690 4.640 -0.025 0.000 0.216 159 D C -0.114 176.353 176.300 0.278 0.000 1.128 159 D CA 0.233 54.398 54.000 0.275 0.000 0.833 159 D CB 0.141 41.109 40.800 0.281 0.000 0.971 159 D HN 0.243 nan 8.370 nan 0.000 0.503 160 D N 0.796 121.375 120.400 0.298 0.000 2.930 160 D HA 0.120 4.745 4.640 -0.025 0.000 0.304 160 D C 0.930 177.446 176.300 0.359 0.000 1.298 160 D CA -0.174 54.049 54.000 0.372 0.000 0.949 160 D CB 0.572 41.668 40.800 0.494 0.000 1.013 160 D HN -0.236 nan 8.370 nan 0.000 0.510 161 Q N 0.253 120.202 119.800 0.249 0.000 2.354 161 Q HA 0.198 4.523 4.340 -0.025 0.000 0.203 161 Q C 0.487 176.501 176.000 0.023 0.000 0.933 161 Q CA 0.583 56.476 55.803 0.150 0.000 0.901 161 Q CB 0.617 29.434 28.738 0.132 0.000 1.007 161 Q HN 0.147 nan 8.270 nan 0.000 0.495 162 R N 0.867 121.392 120.500 0.042 0.000 2.522 162 R HA 0.239 4.564 4.340 -0.025 0.000 0.283 162 R C -1.706 174.613 176.300 0.031 0.000 1.074 162 R CA -0.475 55.592 56.100 -0.055 0.000 0.925 162 R CB 0.961 31.229 30.300 -0.053 0.000 1.205 162 R HN 0.283 nan 8.270 nan 0.000 0.436 163 H N 0.990 120.091 119.070 0.051 0.000 2.961 163 H HA 0.662 5.203 4.556 -0.026 0.000 0.371 163 H C -1.252 174.103 175.328 0.045 0.000 1.190 163 H CA -0.819 55.267 56.048 0.065 0.000 1.138 163 H CB 2.042 31.898 29.762 0.157 0.000 1.816 163 H HN 0.587 nan 8.280 nan 0.000 0.551 164 c N 1.803 120.509 118.600 0.177 0.000 3.171 164 c HA 0.671 5.226 4.570 -0.025 0.000 0.308 164 c C 0.130 174.283 174.090 0.105 0.000 1.334 164 c CA -0.891 55.487 56.329 0.081 0.000 1.473 164 c CB 1.497 44.011 42.510 0.007 0.000 1.866 164 c HN 0.900 nan 8.230 nan 0.000 0.465 165 I N -0.135 120.473 120.570 0.064 0.000 2.740 165 I HA 0.995 5.149 4.170 -0.025 0.000 0.303 165 I C -0.346 175.799 176.117 0.046 0.000 1.044 165 I CA -0.471 60.868 61.300 0.064 0.000 1.064 165 I CB 1.854 39.896 38.000 0.070 0.000 1.249 165 I HN 0.883 nan 8.210 nan 0.000 0.433 166 A N 2.785 125.641 122.820 0.059 0.000 2.612 166 A HA 0.948 5.253 4.320 -0.025 0.000 0.293 166 A C -0.666 176.966 177.584 0.080 0.000 1.075 166 A CA -0.106 51.971 52.037 0.066 0.000 0.680 166 A CB 1.334 20.361 19.000 0.045 0.000 1.279 166 A HN 1.224 nan 8.150 nan 0.000 0.411 167 G N -0.836 108.024 108.800 0.100 0.000 3.086 167 G HA2 0.522 4.467 3.960 -0.025 0.000 0.282 167 G HA3 0.522 4.467 3.960 -0.025 0.000 0.282 167 G C -0.211 174.734 174.900 0.075 0.000 1.343 167 G CA 0.395 45.553 45.100 0.097 0.000 0.895 167 G HN 0.861 nan 8.290 nan 0.000 0.557 168 D N -1.370 119.069 120.400 0.065 0.000 2.347 168 D HA 0.251 4.876 4.640 -0.025 0.000 0.215 168 D C 1.516 177.814 176.300 -0.003 0.000 0.976 168 D CA 1.290 55.309 54.000 0.032 0.000 0.884 168 D CB 0.369 41.188 40.800 0.032 0.000 0.915 168 D HN 0.486 nan 8.370 nan 0.000 0.526 169 A N -0.998 121.815 122.820 -0.012 0.000 2.427 169 A HA 0.206 4.510 4.320 -0.025 0.000 0.225 169 A C 0.117 177.430 177.584 -0.453 0.000 1.257 169 A CA -0.267 51.650 52.037 -0.200 0.000 0.985 169 A CB 0.255 19.145 19.000 -0.183 0.000 1.136 169 A HN 0.264 nan 8.150 nan 0.000 0.538 170 H N -0.751 118.391 119.070 0.121 0.000 2.961 170 H HA 0.596 5.136 4.556 -0.026 0.000 0.371 170 H C -1.065 174.310 175.328 0.078 0.000 1.190 170 H CA -0.573 55.568 56.048 0.154 0.000 1.138 170 H CB 1.664 31.555 29.762 0.215 0.000 1.816 170 H HN 0.312 nan 8.280 nan 0.000 0.551 171 R N 1.409 122.004 120.500 0.157 0.000 2.604 171 R HA 0.517 4.842 4.340 -0.025 0.000 0.281 171 R C -2.076 174.195 176.300 -0.048 0.000 1.020 171 R CA -0.627 55.504 56.100 0.051 0.000 0.899 171 R CB 1.785 32.099 30.300 0.023 0.000 1.205 171 R HN 0.331 nan 8.270 nan 0.000 0.450 172 V N 3.993 123.838 119.914 -0.115 0.000 2.483 172 V HA 0.485 4.590 4.120 -0.025 0.000 0.297 172 V C -0.594 175.375 176.094 -0.208 0.000 1.027 172 V CA -0.736 61.368 62.300 -0.327 0.000 0.855 172 V CB 1.484 33.047 31.823 -0.433 0.000 0.995 172 V HN 0.814 nan 8.190 nan 0.000 0.424 173 c N 5.889 124.361 118.600 -0.214 0.000 2.507 173 c HA 0.657 5.212 4.570 -0.025 0.000 0.319 173 c C 0.118 174.106 174.090 -0.169 0.000 1.208 173 c CA -0.871 55.370 56.329 -0.146 0.000 1.619 173 c CB 1.630 44.063 42.510 -0.128 0.000 2.230 173 c HN 0.733 nan 8.230 nan 0.000 0.492 174 M N 3.862 123.333 119.600 -0.215 0.000 2.180 174 M HA 0.444 4.908 4.480 -0.025 0.000 0.358 174 M C -0.413 175.709 176.300 -0.296 0.000 1.233 174 M CA -0.099 55.041 55.300 -0.267 0.000 1.114 174 M CB 0.724 33.097 32.600 -0.378 0.000 1.594 174 M HN 0.420 nan 8.290 nan 0.000 0.467 175 I N 6.046 126.485 120.570 -0.219 0.000 2.355 175 I HA 0.374 4.529 4.170 -0.025 0.000 0.288 175 I C -0.492 175.461 176.117 -0.274 0.000 0.999 175 I CA -0.422 60.767 61.300 -0.185 0.000 1.163 175 I CB 0.903 38.859 38.000 -0.074 0.000 1.316 175 I HN 0.589 nan 8.210 nan 0.000 0.454 176 L N 6.648 127.683 121.223 -0.313 0.000 2.433 176 L HA 0.429 4.754 4.340 -0.025 0.000 0.256 176 L C 0.500 177.206 176.870 -0.273 0.000 1.063 176 L CA -0.057 54.459 54.840 -0.540 0.000 0.922 176 L CB 0.303 41.857 42.059 -0.842 0.000 1.238 176 L HN 0.490 nan 8.230 nan 0.000 0.466 177 N N 1.005 119.571 118.700 -0.224 0.000 2.230 177 N HA 0.048 4.773 4.740 -0.025 0.000 0.202 177 N C -0.033 175.437 175.510 -0.068 0.000 1.119 177 N CA -0.075 52.934 53.050 -0.068 0.000 0.851 177 N CB 0.493 38.954 38.487 -0.044 0.000 0.990 177 N HN 0.348 nan 8.380 nan 0.000 0.497 178 Q N 0.089 119.782 119.800 -0.180 0.000 3.021 178 Q HA 0.212 4.536 4.340 -0.025 0.000 0.234 178 Q C -1.398 174.560 176.000 -0.069 0.000 0.930 178 Q CA -0.372 55.372 55.803 -0.098 0.000 0.714 178 Q CB 0.001 28.688 28.738 -0.085 0.000 1.325 178 Q HN 0.227 nan 8.270 nan 0.000 0.473 179 Y N 1.257 121.550 120.300 -0.011 0.000 2.532 179 Y HA 0.089 4.625 4.550 -0.024 0.000 0.283 179 Y C 1.518 177.363 175.900 -0.091 0.000 1.181 179 Y CA 0.332 58.494 58.100 0.104 0.000 1.256 179 Y CB 0.517 39.108 38.460 0.218 0.000 1.112 179 Y HN 0.668 nan 8.280 nan 0.000 0.521 180 E N -1.220 118.914 120.200 -0.110 0.000 2.160 180 E HA -0.174 4.160 4.350 -0.025 0.000 0.195 180 E C 1.292 177.757 176.600 -0.225 0.000 0.991 180 E CA 1.756 57.946 56.400 -0.349 0.000 0.810 180 E CB -0.260 29.215 29.700 -0.375 0.000 0.742 180 E HN 0.184 nan 8.360 nan 0.000 0.466 181 S N 0.118 115.715 115.700 -0.171 0.000 2.556 181 S HA 0.147 4.601 4.470 -0.025 0.000 0.216 181 S C 0.421 174.932 174.600 -0.149 0.000 0.970 181 S CA -0.385 57.622 58.200 -0.322 0.000 0.912 181 S CB 0.546 63.253 63.200 -0.822 0.000 0.790 181 S HN 0.139 nan 8.310 nan 0.000 0.504 182 S N 1.706 117.465 115.700 0.100 0.000 2.626 182 S HA 0.456 4.911 4.470 -0.025 0.000 0.257 182 S C 0.408 175.148 174.600 0.233 0.000 1.288 182 S CA -0.344 58.016 58.200 0.266 0.000 0.980 182 S CB 0.742 64.255 63.200 0.522 0.000 0.975 182 S HN 0.278 nan 8.310 nan 0.000 0.577 183 S N -0.807 115.006 115.700 0.188 0.000 2.568 183 S HA 0.694 5.148 4.470 -0.025 0.000 0.293 183 S C 0.636 175.178 174.600 -0.097 0.000 1.089 183 S CA -0.040 58.211 58.200 0.085 0.000 0.945 183 S CB 1.615 64.894 63.200 0.132 0.000 1.077 183 S HN 1.202 nan 8.310 nan 0.000 0.485 184 G N 0.704 109.471 108.800 -0.054 0.000 2.179 184 G HA2 0.245 4.190 3.960 -0.025 0.000 0.220 184 G HA3 0.245 4.190 3.960 -0.025 0.000 0.220 184 G C 0.742 175.585 174.900 -0.095 0.000 0.990 184 G CA 0.086 45.136 45.100 -0.084 0.000 0.646 184 G HN 1.916 nan 8.290 nan 0.000 0.517 185 G N -0.270 108.498 108.800 -0.053 0.000 2.741 185 G HA2 0.136 4.081 3.960 -0.025 0.000 0.222 185 G HA3 0.136 4.081 3.960 -0.025 0.000 0.222 185 G C -0.716 173.695 174.900 -0.814 0.000 1.364 185 G CA 0.341 45.246 45.100 -0.324 0.000 0.866 185 G HN 0.794 nan 8.290 nan 0.000 0.555 186 P HA 0.026 nan 4.420 nan 0.000 0.220 186 P C 1.211 177.642 177.300 -1.447 0.000 1.148 186 P CA 1.583 63.259 63.100 -2.374 0.000 0.803 186 P CB -0.086 30.171 31.700 -2.405 0.000 0.782 187 F N -2.208 117.333 119.950 -0.682 0.000 2.695 187 F HA 0.225 4.736 4.527 -0.027 0.000 0.303 187 F C 1.238 176.755 175.800 -0.470 0.000 1.091 187 F CA -1.112 56.593 58.000 -0.492 0.000 1.300 187 F CB -1.740 37.005 39.000 -0.426 0.000 1.071 187 F HN -0.036 nan 8.300 nan 0.000 0.578 188 H N 2.833 121.607 119.070 -0.494 0.000 2.928 188 H HA 0.288 4.828 4.556 -0.026 0.000 0.338 188 H C 0.607 175.429 175.328 -0.844 0.000 1.047 188 H CA -0.213 55.472 56.048 -0.606 0.000 1.435 188 H CB 0.556 29.947 29.762 -0.619 0.000 1.428 188 H HN 0.234 nan 8.280 nan 0.000 0.590 189 R N 3.834 123.714 120.500 -1.035 0.000 2.854 189 R HA 0.544 4.869 4.340 -0.025 0.000 0.271 189 R C -1.287 174.639 176.300 -0.623 0.000 0.996 189 R CA -1.035 54.669 56.100 -0.659 0.000 0.961 189 R CB 1.921 32.038 30.300 -0.304 0.000 1.182 189 R HN 0.575 nan 8.270 nan 0.000 0.479 190 D N 0.597 120.932 120.400 -0.109 0.000 2.677 190 D HA 0.332 4.957 4.640 -0.025 0.000 0.298 190 D C -0.559 175.711 176.300 -0.050 0.000 1.250 190 D CA -0.769 53.215 54.000 -0.026 0.000 0.888 190 D CB 2.016 42.965 40.800 0.249 0.000 1.397 190 D HN 0.509 nan 8.370 nan 0.000 0.461 191 I N 1.953 122.292 120.570 -0.385 0.000 2.668 191 I HA 0.037 4.192 4.170 -0.025 0.000 0.285 191 I C 1.493 177.583 176.117 -0.046 0.000 1.168 191 I CA 0.563 61.588 61.300 -0.459 0.000 1.424 191 I CB 0.158 37.556 38.000 -1.003 0.000 1.377 191 I HN 0.246 nan 8.210 nan 0.000 0.560 192 N N 2.809 121.506 118.700 -0.006 0.000 2.545 192 N HA 0.068 4.793 4.740 -0.025 0.000 0.190 192 N C -0.110 175.565 175.510 0.275 0.000 1.043 192 N CA 0.167 53.186 53.050 -0.051 0.000 0.879 192 N CB 0.500 38.704 38.487 -0.472 0.000 1.210 192 N HN 0.749 nan 8.380 nan 0.000 0.437 193 S N -0.601 115.270 115.700 0.285 0.000 2.588 193 S HA 0.357 4.812 4.470 -0.025 0.000 0.269 193 S C -1.535 173.218 174.600 0.255 0.000 1.157 193 S CA -0.988 57.407 58.200 0.325 0.000 0.824 193 S CB 2.444 65.780 63.200 0.226 0.000 1.126 193 S HN 0.220 nan 8.310 nan 0.000 0.464 194 N N 0.511 119.333 118.700 0.203 0.000 2.905 194 N HA 0.122 4.846 4.740 -0.025 0.000 0.255 194 N C -1.905 173.610 175.510 0.009 0.000 1.199 194 N CA -0.182 52.934 53.050 0.110 0.000 0.911 194 N CB 1.073 39.655 38.487 0.159 0.000 1.550 194 N HN 0.839 nan 8.380 nan 0.000 0.599 195 N N 2.424 121.113 118.700 -0.019 0.000 2.448 195 N HA 0.188 4.913 4.740 -0.025 0.000 0.250 195 N C 0.910 176.321 175.510 -0.165 0.000 1.136 195 N CA -0.096 52.905 53.050 -0.081 0.000 0.953 195 N CB 0.501 38.968 38.487 -0.032 0.000 1.251 195 N HN 0.638 nan 8.380 nan 0.000 0.502 196 G N 1.441 110.069 108.800 -0.287 0.000 3.126 196 G HA2 0.333 4.277 3.960 -0.025 0.000 0.224 196 G HA3 0.333 4.277 3.960 -0.025 0.000 0.224 196 G C 0.937 175.622 174.900 -0.359 0.000 1.142 196 G CA 0.319 45.205 45.100 -0.357 0.000 0.759 196 G HN 0.796 nan 8.290 nan 0.000 0.550 197 G N -0.302 108.319 108.800 -0.300 0.000 2.541 197 G HA2 -0.251 3.694 3.960 -0.025 0.000 0.201 197 G HA3 -0.251 3.694 3.960 -0.025 0.000 0.201 197 G C 1.390 176.180 174.900 -0.183 0.000 1.026 197 G CA 0.669 45.642 45.100 -0.213 0.000 0.687 197 G HN 0.360 nan 8.290 nan 0.000 0.492 198 S N -0.497 115.019 115.700 -0.308 0.000 2.499 198 S HA 0.515 4.970 4.470 -0.025 0.000 0.225 198 S C 0.322 174.812 174.600 -0.183 0.000 1.050 198 S CA 1.226 59.312 58.200 -0.190 0.000 0.928 198 S CB 0.200 63.306 63.200 -0.157 0.000 0.803 198 S HN 1.205 nan 8.310 nan 0.000 0.506 199 Y N -0.400 119.714 120.300 -0.310 0.000 2.725 199 Y HA 0.542 5.077 4.550 -0.026 0.000 0.333 199 Y C -1.193 174.602 175.900 -0.176 0.000 1.242 199 Y CA -1.509 56.420 58.100 -0.284 0.000 1.059 199 Y CB 0.650 38.766 38.460 -0.572 0.000 1.306 199 Y HN -0.106 nan 8.280 nan 0.000 0.454 200 N N 0.867 119.631 118.700 0.107 0.000 2.446 200 N HA 0.675 5.399 4.740 -0.025 0.000 0.265 200 N C -1.223 174.364 175.510 0.128 0.000 0.975 200 N CA -0.521 52.564 53.050 0.058 0.000 0.928 200 N CB 1.156 39.673 38.487 0.051 0.000 1.160 200 N HN 0.959 nan 8.380 nan 0.000 0.495 201 A N 3.373 126.246 122.820 0.089 0.000 2.328 201 A HA 0.419 4.724 4.320 -0.025 0.000 0.284 201 A C -0.756 176.753 177.584 -0.124 0.000 1.160 201 A CA -0.419 51.579 52.037 -0.066 0.000 0.818 201 A CB 0.552 19.449 19.000 -0.170 0.000 1.087 201 A HN 0.652 nan 8.150 nan 0.000 0.504 202 L N 3.255 124.381 121.223 -0.163 0.000 2.305 202 L HA 0.682 5.007 4.340 -0.025 0.000 0.284 202 L C -1.379 175.503 176.870 0.020 0.000 1.013 202 L CA -0.204 54.652 54.840 0.026 0.000 0.819 202 L CB 0.751 42.867 42.059 0.094 0.000 1.227 202 L HN 0.646 nan 8.230 nan 0.000 0.417 203 Y N 3.237 123.742 120.300 0.343 0.000 2.487 203 Y HA 0.506 5.041 4.550 -0.026 0.000 0.337 203 Y C -1.116 175.130 175.900 0.576 0.000 1.076 203 Y CA -0.117 58.209 58.100 0.378 0.000 1.115 203 Y CB 1.894 40.571 38.460 0.362 0.000 1.235 203 Y HN 0.642 nan 8.280 nan 0.000 0.468 204 W N 3.301 124.846 121.300 0.407 0.000 2.499 204 W HA 0.403 5.048 4.660 -0.026 0.000 0.320 204 W C -1.991 174.596 176.519 0.114 0.000 1.010 204 W CA -1.779 55.707 57.345 0.236 0.000 1.267 204 W CB 0.399 29.816 29.460 -0.073 0.000 1.316 204 W HN 0.409 nan 8.180 nan 0.000 0.431 205 Y N 7.095 127.424 120.300 0.049 0.000 2.627 205 Y HA 0.077 4.612 4.550 -0.026 0.000 0.347 205 Y C 1.734 177.340 175.900 -0.490 0.000 1.099 205 Y CA 0.230 58.249 58.100 -0.135 0.000 1.408 205 Y CB 0.629 39.134 38.460 0.075 0.000 1.247 205 Y HN 0.407 nan 8.280 nan 0.000 0.506 206 M N 1.738 120.826 119.600 -0.853 0.000 2.080 206 M HA -0.203 4.261 4.480 -0.025 0.000 0.260 206 M C 0.438 176.586 176.300 -0.254 0.000 1.068 206 M CA 1.786 56.519 55.300 -0.945 0.000 1.109 206 M CB -0.049 31.976 32.600 -0.959 0.000 1.342 206 M HN 0.653 nan 8.290 nan 0.000 0.405 207 N N -1.262 117.327 118.700 -0.185 0.000 2.708 207 N HA 0.520 5.245 4.740 -0.025 0.000 0.257 207 N C -1.324 174.212 175.510 0.044 0.000 1.373 207 N CA -0.641 52.387 53.050 -0.037 0.000 0.843 207 N CB 2.062 40.472 38.487 -0.128 0.000 1.503 207 N HN 0.086 nan 8.380 nan 0.000 0.504 208 S N -1.884 113.928 115.700 0.187 0.000 2.636 208 S HA 0.514 4.968 4.470 -0.025 0.000 0.268 208 S C 0.180 174.992 174.600 0.354 0.000 1.159 208 S CA -0.338 58.014 58.200 0.254 0.000 0.815 208 S CB 0.977 64.313 63.200 0.227 0.000 1.130 208 S HN 0.772 nan 8.310 nan 0.000 0.471 209 G N -0.174 108.796 108.800 0.283 0.000 3.141 209 G HA2 0.482 4.426 3.960 -0.025 0.000 0.218 209 G HA3 0.482 4.426 3.960 -0.025 0.000 0.218 209 G C 0.496 175.481 174.900 0.142 0.000 1.170 209 G CA 0.152 45.377 45.100 0.210 0.000 0.769 209 G HN 1.287 nan 8.290 nan 0.000 0.546 210 A N 0.603 123.519 122.820 0.159 0.000 2.410 210 A HA 0.494 4.798 4.320 -0.025 0.000 0.292 210 A C 1.064 178.685 177.584 0.062 0.000 1.232 210 A CA -0.205 51.890 52.037 0.096 0.000 0.893 210 A CB -0.132 18.959 19.000 0.153 0.000 1.131 210 A HN 1.032 nan 8.150 nan 0.000 0.530 211 V N 1.183 121.100 119.914 0.005 0.000 5.830 211 V HA -0.202 3.903 4.120 -0.025 0.000 0.274 211 V C 0.316 176.439 176.094 0.048 0.000 0.632 211 V CA 1.490 63.776 62.300 -0.023 0.000 0.594 211 V CB -2.303 29.445 31.823 -0.125 0.000 0.249 211 V HN 1.085 nan 8.190 nan 0.000 0.697 212 Q N 1.554 121.395 119.800 0.068 0.000 2.296 212 Q HA 0.556 4.881 4.340 -0.025 0.000 0.257 212 Q C 1.107 177.100 176.000 -0.012 0.000 0.942 212 Q CA 0.410 56.252 55.803 0.064 0.000 0.939 212 Q CB 1.700 30.464 28.738 0.042 0.000 1.198 212 Q HN 0.787 nan 8.270 nan 0.000 0.429 213 T N -0.155 114.387 114.554 -0.020 0.000 3.040 213 T HA 0.353 4.688 4.350 -0.025 0.000 0.250 213 T C 0.149 174.804 174.700 -0.074 0.000 1.058 213 T CA 0.028 62.099 62.100 -0.047 0.000 0.988 213 T CB 0.288 69.131 68.868 -0.041 0.000 0.993 213 T HN 0.521 nan 8.240 nan 0.000 0.519 214 E N 0.973 121.121 120.200 -0.087 0.000 2.336 214 E HA 0.570 4.904 4.350 -0.025 0.000 0.267 214 E C -0.836 175.678 176.600 -0.143 0.000 0.906 214 E CA -0.841 55.504 56.400 -0.092 0.000 0.781 214 E CB 2.239 31.902 29.700 -0.062 0.000 1.261 214 E HN 0.108 nan 8.360 nan 0.000 0.436 215 S N 0.873 116.503 115.700 -0.117 0.000 2.576 215 S HA 0.089 4.543 4.470 -0.025 0.000 0.272 215 S C -0.446 174.117 174.600 -0.062 0.000 1.352 215 S CA -0.263 57.842 58.200 -0.157 0.000 1.021 215 S CB 0.065 63.228 63.200 -0.062 0.000 0.887 215 S HN 0.229 nan 8.310 nan 0.000 0.542 216 Y N 1.408 121.722 120.300 0.022 0.000 2.379 216 Y HA 0.286 4.820 4.550 -0.026 0.000 0.337 216 Y C 1.249 177.179 175.900 0.050 0.000 1.238 216 Y CA -0.303 57.821 58.100 0.039 0.000 1.405 216 Y CB 0.388 38.868 38.460 0.034 0.000 1.310 216 Y HN 0.427 nan 8.280 nan 0.000 0.569 217 R N 2.985 123.643 120.500 0.262 0.000 2.514 217 R HA 0.557 4.881 4.340 -0.025 0.000 0.301 217 R C -0.369 176.021 176.300 0.150 0.000 0.962 217 R CA -0.859 55.326 56.100 0.141 0.000 0.882 217 R CB 1.597 31.933 30.300 0.061 0.000 1.143 217 R HN 0.729 nan 8.270 nan 0.000 0.452 218 M N 0.125 119.776 119.600 0.085 0.000 2.513 218 M HA 0.779 5.243 4.480 -0.025 0.000 0.291 218 M C 0.462 176.755 176.300 -0.012 0.000 1.190 218 M CA 0.075 55.404 55.300 0.048 0.000 0.960 218 M CB 1.452 34.050 32.600 -0.004 0.000 1.517 218 M HN 0.682 nan 8.290 nan 0.000 0.499 219 G N 0.366 109.104 108.800 -0.104 0.000 2.416 219 G HA2 -0.056 3.888 3.960 -0.025 0.000 0.203 219 G HA3 -0.056 3.888 3.960 -0.025 0.000 0.203 219 G C -1.806 173.170 174.900 0.126 0.000 1.227 219 G CA -0.409 44.681 45.100 -0.017 0.000 1.041 219 G HN 0.944 nan 8.290 nan 0.000 0.546 220 L N 2.058 123.473 121.223 0.320 0.000 2.281 220 L HA 0.555 4.880 4.340 -0.025 0.000 0.285 220 L C 0.486 177.468 176.870 0.187 0.000 1.074 220 L CA -0.498 54.577 54.840 0.392 0.000 0.817 220 L CB 0.326 42.626 42.059 0.403 0.000 1.168 220 L HN 0.595 nan 8.230 nan 0.000 0.434 221 H N 4.829 124.023 119.070 0.207 0.000 2.517 221 H HA 0.581 5.122 4.556 -0.025 0.000 0.317 221 H C 0.604 176.139 175.328 0.345 0.000 1.080 221 H CA 0.300 56.449 56.048 0.168 0.000 1.301 221 H CB 1.261 31.020 29.762 -0.004 0.000 1.425 221 H HN 0.923 nan 8.280 nan 0.000 0.471 222 G N 4.050 113.126 108.800 0.460 0.000 2.512 222 G HA2 -0.203 3.742 3.960 -0.025 0.000 0.210 222 G HA3 -0.203 3.742 3.960 -0.025 0.000 0.210 222 G C -2.730 172.226 174.900 0.093 0.000 1.295 222 G CA -1.228 44.110 45.100 0.396 0.000 0.934 222 G HN 0.465 nan 8.290 nan 0.000 0.554 223 P HA 0.488 nan 4.420 nan 0.000 0.269 223 P C -0.773 176.496 177.300 -0.052 0.000 1.217 223 P CA 0.382 63.335 63.100 -0.246 0.000 0.783 223 P CB 0.125 31.311 31.700 -0.857 0.000 0.898 224 Y N -2.452 117.724 120.300 -0.208 0.000 2.553 224 Y HA 0.781 5.315 4.550 -0.026 0.000 0.347 224 Y C -0.842 174.969 175.900 -0.148 0.000 1.019 224 Y CA -1.417 56.492 58.100 -0.318 0.000 1.032 224 Y CB 0.790 38.964 38.460 -0.478 0.000 1.284 224 Y HN 0.121 nan 8.280 nan 0.000 0.466 225 S N 3.709 119.354 115.700 -0.092 0.000 2.532 225 S HA 0.539 4.993 4.470 -0.025 0.000 0.299 225 S C -1.028 173.492 174.600 -0.133 0.000 1.105 225 S CA -0.757 57.376 58.200 -0.112 0.000 1.018 225 S CB 1.348 64.550 63.200 0.003 0.000 1.021 225 S HN 0.828 nan 8.310 nan 0.000 0.483 226 M N 4.363 123.855 119.600 -0.180 0.000 2.047 226 M HA 0.427 4.892 4.480 -0.025 0.000 0.342 226 M C -1.861 174.331 176.300 -0.181 0.000 1.058 226 M CA -0.610 54.580 55.300 -0.182 0.000 0.991 226 M CB 0.420 32.917 32.600 -0.171 0.000 1.474 226 M HN 0.760 nan 8.290 nan 0.000 0.419 227 Y N 4.634 124.745 120.300 -0.314 0.000 2.320 227 Y HA 0.497 5.032 4.550 -0.024 0.000 0.334 227 Y C -1.682 173.991 175.900 -0.378 0.000 1.055 227 Y CA -0.363 57.615 58.100 -0.204 0.000 1.143 227 Y CB 0.825 39.205 38.460 -0.133 0.000 1.193 227 Y HN 0.573 nan 8.280 nan 0.000 0.477 228 F N 3.711 123.592 119.950 -0.114 0.000 2.402 228 F HA 0.514 5.026 4.527 -0.025 0.000 0.355 228 F C 0.082 175.805 175.800 -0.128 0.000 1.123 228 F CA -0.335 57.543 58.000 -0.204 0.000 1.021 228 F CB 1.455 40.229 39.000 -0.377 0.000 1.160 228 F HN 0.334 nan 8.300 nan 0.000 0.451 229 S N 2.884 118.617 115.700 0.056 0.000 2.599 229 S HA 0.540 4.995 4.470 -0.025 0.000 0.294 229 S C 0.700 175.437 174.600 0.229 0.000 1.094 229 S CA -1.028 57.292 58.200 0.200 0.000 0.931 229 S CB 2.518 65.822 63.200 0.173 0.000 1.093 229 S HN 0.618 nan 8.310 nan 0.000 0.488 230 R N 1.086 121.736 120.500 0.251 0.000 2.056 230 R HA 0.146 4.471 4.340 -0.025 0.000 0.220 230 R C 1.000 177.299 176.300 -0.002 0.000 1.187 230 R CA 0.974 57.119 56.100 0.074 0.000 0.932 230 R CB -0.431 29.775 30.300 -0.156 0.000 0.821 230 R HN 0.514 nan 8.270 nan 0.000 0.449 231 S N -0.611 115.077 115.700 -0.020 0.000 2.666 231 S HA 0.206 4.660 4.470 -0.025 0.000 0.239 231 S C 0.317 174.912 174.600 -0.009 0.000 1.031 231 S CA -0.278 57.911 58.200 -0.019 0.000 1.015 231 S CB 1.523 64.700 63.200 -0.038 0.000 0.981 231 S HN 0.458 nan 8.310 nan 0.000 0.547 232 G N 1.255 110.057 108.800 0.003 0.000 2.569 232 G HA2 0.431 4.376 3.960 -0.025 0.000 0.249 232 G HA3 0.431 4.376 3.960 -0.025 0.000 0.249 232 G C -0.637 174.237 174.900 -0.042 0.000 1.216 232 G CA 0.084 45.178 45.100 -0.011 0.000 0.845 232 G HN 0.203 nan 8.290 nan 0.000 0.568 233 T N 3.070 117.578 114.554 -0.077 0.000 2.791 233 T HA 0.486 4.821 4.350 -0.025 0.000 0.288 233 T C -2.069 172.509 174.700 -0.204 0.000 0.999 233 T CA -0.637 61.389 62.100 -0.122 0.000 0.952 233 T CB 1.727 70.544 68.868 -0.084 0.000 0.938 233 T HN 0.489 nan 8.240 nan 0.000 0.444 234 P HA 0.225 nan 4.420 nan 0.000 0.271 234 P C -0.026 177.095 177.300 -0.298 0.000 1.216 234 P CA -0.380 62.383 63.100 -0.562 0.000 0.776 234 P CB 0.773 31.752 31.700 -1.202 0.000 0.881 235 S N 0.906 116.483 115.700 -0.206 0.000 2.579 235 S HA 0.089 4.544 4.470 -0.025 0.000 0.275 235 S C 1.451 176.003 174.600 -0.081 0.000 1.345 235 S CA 0.209 58.349 58.200 -0.099 0.000 1.031 235 S CB -0.068 63.105 63.200 -0.044 0.000 0.892 235 S HN 0.624 nan 8.310 nan 0.000 0.529 236 T N 0.864 115.394 114.554 -0.039 0.000 3.160 236 T HA 0.079 4.413 4.350 -0.025 0.000 0.257 236 T C 0.880 175.589 174.700 0.014 0.000 1.147 236 T CA 0.497 62.587 62.100 -0.015 0.000 1.064 236 T CB -0.222 68.648 68.868 0.004 0.000 0.949 236 T HN 0.422 nan 8.240 nan 0.000 0.526 237 S N 1.400 117.114 115.700 0.022 0.000 3.530 237 S HA 0.451 4.906 4.470 -0.025 0.000 0.279 237 S C -0.308 174.333 174.600 0.068 0.000 1.280 237 S CA -0.831 57.393 58.200 0.041 0.000 0.946 237 S CB -1.175 62.048 63.200 0.038 0.000 1.501 237 S HN 0.487 nan 8.310 nan 0.000 0.498 238 I N 3.375 123.993 120.570 0.080 0.000 2.439 238 I HA 0.246 4.400 4.170 -0.025 0.000 0.283 238 I C -0.380 175.799 176.117 0.103 0.000 1.023 238 I CA -0.904 60.482 61.300 0.142 0.000 1.100 238 I CB 1.652 39.779 38.000 0.211 0.000 1.238 238 I HN 0.362 nan 8.210 nan 0.000 0.445 239 D N 4.476 124.944 120.400 0.113 0.000 2.417 239 D HA 0.050 4.675 4.640 -0.025 0.000 0.250 239 D C 0.927 177.182 176.300 -0.074 0.000 1.166 239 D CA 0.358 54.385 54.000 0.044 0.000 0.881 239 D CB 1.021 41.880 40.800 0.099 0.000 1.164 239 D HN 0.659 nan 8.370 nan 0.000 0.467 240 T N -0.769 113.593 114.554 -0.320 0.000 3.200 240 T HA 0.066 4.401 4.350 -0.025 0.000 0.284 240 T C 1.449 175.663 174.700 -0.809 0.000 1.009 240 T CA 0.184 61.791 62.100 -0.823 0.000 0.907 240 T CB -0.328 68.179 68.868 -0.603 0.000 1.120 240 T HN 0.221 nan 8.240 nan 0.000 0.534 241 S N 1.725 117.159 115.700 -0.445 0.000 2.447 241 S HA -0.083 4.372 4.470 -0.025 0.000 0.233 241 S C 1.680 176.149 174.600 -0.219 0.000 1.006 241 S CA 0.480 58.565 58.200 -0.192 0.000 0.957 241 S CB -1.287 61.879 63.200 -0.056 0.000 0.773 241 S HN 0.735 nan 8.310 nan 0.000 0.507 242 F N -0.264 119.594 119.950 -0.153 0.000 2.408 242 F HA 0.219 4.731 4.527 -0.025 0.000 0.300 242 F C 1.638 177.161 175.800 -0.463 0.000 1.090 242 F CA -0.118 57.650 58.000 -0.386 0.000 1.427 242 F CB -1.208 37.351 39.000 -0.734 0.000 1.070 242 F HN 0.080 nan 8.300 nan 0.000 0.549 243 F N 1.508 121.008 119.950 -0.750 0.000 2.250 243 F HA -0.151 4.361 4.527 -0.025 0.000 0.301 243 F C 2.595 177.862 175.800 -0.888 0.000 1.077 243 F CA 0.881 58.354 58.000 -0.877 0.000 1.348 243 F CB -0.525 37.695 39.000 -1.301 0.000 1.040 243 F HN 0.169 nan 8.300 nan 0.000 0.509 244 A N -0.733 121.849 122.820 -0.397 0.000 2.070 244 A HA -0.170 4.135 4.320 -0.025 0.000 0.220 244 A C 1.463 178.995 177.584 -0.086 0.000 1.159 244 A CA 1.834 53.843 52.037 -0.047 0.000 0.656 244 A CB -0.448 18.634 19.000 0.137 0.000 0.800 244 A HN 0.289 nan 8.150 nan 0.000 0.453 245 D N -1.043 119.258 120.400 -0.164 0.000 2.402 245 D HA 0.242 4.867 4.640 -0.025 0.000 0.216 245 D C 0.535 176.737 176.300 -0.165 0.000 1.128 245 D CA 0.159 54.080 54.000 -0.132 0.000 0.833 245 D CB 0.476 41.203 40.800 -0.123 0.000 0.971 245 D HN 0.418 nan 8.370 nan 0.000 0.503 246 L N 0.491 121.576 121.223 -0.231 0.000 3.122 246 L HA 0.117 4.442 4.340 -0.025 0.000 0.274 246 L C -0.301 176.447 176.870 -0.205 0.000 1.222 246 L CA -0.159 54.535 54.840 -0.243 0.000 1.028 246 L CB 0.390 42.224 42.059 -0.375 0.000 1.386 246 L HN -0.214 nan 8.230 nan 0.000 0.578 247 D N 1.696 122.006 120.400 -0.149 0.000 2.697 247 D HA -0.180 4.445 4.640 -0.025 0.000 0.235 247 D C 0.014 176.224 176.300 -0.149 0.000 1.167 247 D CA 0.703 54.644 54.000 -0.099 0.000 0.656 247 D CB -0.525 40.244 40.800 -0.051 0.000 1.025 247 D HN 0.133 nan 8.370 nan 0.000 0.419 248 I N 0.878 121.301 120.570 -0.246 0.000 2.396 248 I HA 0.042 4.197 4.170 -0.025 0.000 0.289 248 I C 1.385 177.396 176.117 -0.177 0.000 1.056 248 I CA -0.167 60.873 61.300 -0.433 0.000 1.365 248 I CB 0.616 38.327 38.000 -0.481 0.000 1.407 248 I HN -0.218 nan 8.210 nan 0.000 0.509 249 K N 4.456 124.770 120.400 -0.143 0.000 2.484 249 K HA 0.149 4.454 4.320 -0.025 0.000 0.280 249 K C 1.148 177.530 176.600 -0.363 0.000 1.013 249 K CA 0.797 56.867 56.287 -0.363 0.000 1.029 249 K CB 0.235 32.310 32.500 -0.708 0.000 0.902 249 K HN 0.965 nan 8.250 nan 0.000 0.481 250 G N 2.583 111.266 108.800 -0.195 0.000 2.184 250 G HA2 -0.338 3.606 3.960 -0.025 0.000 0.264 250 G HA3 -0.338 3.606 3.960 -0.025 0.000 0.264 250 G C -0.203 174.796 174.900 0.166 0.000 0.975 250 G CA 0.193 45.382 45.100 0.149 0.000 0.642 250 G HN 0.702 nan 8.290 nan 0.000 0.536 251 Y N 1.006 121.310 120.300 0.007 0.000 2.402 251 Y HA 0.465 5.000 4.550 -0.025 0.000 0.333 251 Y C 0.291 176.189 175.900 -0.003 0.000 1.076 251 Y CA -0.320 57.781 58.100 0.002 0.000 1.299 251 Y CB 0.987 39.436 38.460 -0.018 0.000 1.197 251 Y HN 0.115 nan 8.280 nan 0.000 0.517 252 V N 7.359 126.941 119.914 -0.554 0.000 2.357 252 V HA 0.599 4.704 4.120 -0.025 0.000 0.284 252 V C 0.274 175.954 176.094 -0.690 0.000 1.018 252 V CA -0.763 61.288 62.300 -0.415 0.000 0.841 252 V CB 0.705 32.402 31.823 -0.209 0.000 0.991 252 V HN 0.983 nan 8.190 nan 0.000 0.437 253 A N 4.006 126.603 122.820 -0.371 0.000 2.296 253 A HA 0.717 5.022 4.320 -0.025 0.000 0.264 253 A C 1.681 179.171 177.584 -0.157 0.000 1.097 253 A CA 0.348 52.267 52.037 -0.198 0.000 0.811 253 A CB 0.356 19.390 19.000 0.056 0.000 1.072 253 A HN 1.290 nan 8.150 nan 0.000 0.495 254 A N 0.335 123.099 122.820 -0.094 0.000 1.948 254 A HA -0.160 4.145 4.320 -0.025 0.000 0.220 254 A C 2.354 179.891 177.584 -0.078 0.000 1.177 254 A CA 2.813 54.798 52.037 -0.088 0.000 0.636 254 A CB -1.276 17.691 19.000 -0.056 0.000 0.815 254 A HN 1.719 nan 8.150 nan 0.000 0.449 255 S N -0.984 114.684 115.700 -0.054 0.000 2.447 255 S HA 0.101 4.556 4.470 -0.025 0.000 0.233 255 S C 1.636 176.205 174.600 -0.053 0.000 1.006 255 S CA 1.055 59.228 58.200 -0.045 0.000 0.957 255 S CB -0.630 62.555 63.200 -0.025 0.000 0.773 255 S HN 0.740 nan 8.310 nan 0.000 0.507 256 G N 0.766 109.526 108.800 -0.067 0.000 3.233 256 G HA2 0.348 4.293 3.960 -0.025 0.000 0.227 256 G HA3 0.348 4.293 3.960 -0.025 0.000 0.227 256 G C 0.349 175.200 174.900 -0.081 0.000 1.175 256 G CA -0.695 44.365 45.100 -0.066 0.000 0.781 256 G HN 0.391 nan 8.290 nan 0.000 0.542 257 R N -1.105 119.334 120.500 -0.102 0.000 2.854 257 R HA 0.653 4.977 4.340 -0.025 0.000 0.271 257 R C 0.025 176.241 176.300 -0.139 0.000 0.996 257 R CA -0.430 55.590 56.100 -0.134 0.000 0.961 257 R CB 2.064 32.260 30.300 -0.172 0.000 1.182 257 R HN 0.131 nan 8.270 nan 0.000 0.479 258 G N 0.641 109.334 108.800 -0.178 0.000 3.140 258 G HA2 0.621 4.566 3.960 -0.025 0.000 0.271 258 G HA3 0.621 4.566 3.960 -0.025 0.000 0.271 258 G C -1.211 173.526 174.900 -0.271 0.000 1.370 258 G CA -0.509 44.482 45.100 -0.181 0.000 1.014 258 G HN 0.313 nan 8.290 nan 0.000 0.541 259 K N -1.348 118.898 120.400 -0.256 0.000 2.480 259 K HA 0.638 4.943 4.320 -0.025 0.000 0.258 259 K C -1.535 174.880 176.600 -0.309 0.000 0.990 259 K CA -0.746 55.343 56.287 -0.330 0.000 0.857 259 K CB 2.926 35.280 32.500 -0.242 0.000 1.384 259 K HN 0.246 nan 8.250 nan 0.000 0.446 260 V N 1.233 120.910 119.914 -0.395 0.000 2.448 260 V HA 0.708 4.813 4.120 -0.025 0.000 0.295 260 V C -0.825 175.274 176.094 0.009 0.000 1.025 260 V CA -0.724 61.461 62.300 -0.192 0.000 0.859 260 V CB 1.301 32.984 31.823 -0.233 0.000 0.988 260 V HN 0.895 nan 8.190 nan 0.000 0.431 261 A N 3.182 125.995 122.820 -0.012 0.000 2.435 261 A HA 1.071 5.375 4.320 -0.025 0.000 0.304 261 A C 0.085 177.424 177.584 -0.407 0.000 1.064 261 A CA 0.070 51.990 52.037 -0.195 0.000 0.727 261 A CB 2.143 21.045 19.000 -0.164 0.000 1.284 261 A HN 1.523 nan 8.150 nan 0.000 0.415 262 G N -0.624 107.565 108.800 -1.018 0.000 2.392 262 G HA2 0.554 4.499 3.960 -0.025 0.000 0.260 262 G HA3 0.554 4.499 3.960 -0.025 0.000 0.260 262 G C -1.130 173.240 174.900 -0.884 0.000 1.226 262 G CA 0.222 44.869 45.100 -0.756 0.000 0.913 262 G HN 1.128 nan 8.290 nan 0.000 0.483 263 T N 0.472 114.847 114.554 -0.298 0.000 2.928 263 T HA 0.726 5.061 4.350 -0.025 0.000 0.296 263 T C -0.079 174.730 174.700 0.182 0.000 1.000 263 T CA 0.358 62.459 62.100 0.000 0.000 0.989 263 T CB 1.524 70.399 68.868 0.011 0.000 1.005 263 T HN 1.401 nan 8.240 nan 0.000 0.442 264 A N 2.693 125.645 122.820 0.221 0.000 2.306 264 A HA 0.877 5.182 4.320 -0.025 0.000 0.314 264 A C 0.258 177.753 177.584 -0.147 0.000 1.164 264 A CA -0.601 51.271 52.037 -0.275 0.000 0.822 264 A CB 0.460 18.953 19.000 -0.845 0.000 1.130 264 A HN 1.052 nan 8.150 nan 0.000 0.496 265 S N 0.227 115.790 115.700 -0.229 0.000 2.579 265 S HA 0.785 5.240 4.470 -0.025 0.000 0.272 265 S C 0.376 174.992 174.600 0.027 0.000 1.141 265 S CA 0.163 58.367 58.200 0.008 0.000 0.843 265 S CB 1.306 64.560 63.200 0.091 0.000 1.122 265 S HN 2.573 nan 8.310 nan 0.000 0.468 266 G N 0.159 108.989 108.800 0.050 0.000 2.259 266 G HA2 0.094 4.039 3.960 -0.025 0.000 0.217 266 G HA3 0.094 4.039 3.960 -0.025 0.000 0.217 266 G C 0.508 175.389 174.900 -0.032 0.000 1.001 266 G CA 0.075 45.195 45.100 0.035 0.000 0.627 266 G HN 1.722 nan 8.290 nan 0.000 0.501 267 A N 0.193 122.871 122.820 -0.236 0.000 2.251 267 A HA 0.538 4.843 4.320 -0.025 0.000 0.278 267 A C 0.339 178.045 177.584 0.204 0.000 1.206 267 A CA 0.583 52.457 52.037 -0.272 0.000 0.822 267 A CB 0.076 18.549 19.000 -0.878 0.000 1.187 267 A HN 0.386 nan 8.150 nan 0.000 0.504 268 D N 0.147 120.698 120.400 0.252 0.000 2.363 268 D HA 0.101 4.726 4.640 -0.025 0.000 0.263 268 D C 1.477 178.098 176.300 0.535 0.000 1.258 268 D CA 0.832 55.028 54.000 0.327 0.000 0.907 268 D CB 0.685 41.603 40.800 0.196 0.000 1.107 268 D HN 0.462 nan 8.370 nan 0.000 0.495 269 S N 1.625 117.552 115.700 0.378 0.000 2.507 269 S HA -0.162 4.293 4.470 -0.025 0.000 0.235 269 S C 1.683 176.286 174.600 0.005 0.000 0.988 269 S CA 0.834 59.122 58.200 0.146 0.000 0.944 269 S CB -0.197 63.060 63.200 0.096 0.000 0.762 269 S HN 0.388 nan 8.310 nan 0.000 0.526 270 S N 0.373 116.117 115.700 0.073 0.000 2.562 270 S HA 0.324 4.779 4.470 -0.025 0.000 0.221 270 S C 0.505 175.126 174.600 0.035 0.000 0.975 270 S CA -0.396 57.822 58.200 0.030 0.000 0.918 270 S CB -0.539 62.684 63.200 0.037 0.000 0.772 270 S HN 0.532 nan 8.310 nan 0.000 0.531 271 M N 1.812 121.465 119.600 0.089 0.000 2.644 271 M HA 0.443 4.908 4.480 -0.025 0.000 0.316 271 M C -1.010 175.335 176.300 0.075 0.000 1.200 271 M CA -0.859 54.517 55.300 0.127 0.000 0.944 271 M CB 1.204 33.947 32.600 0.238 0.000 1.691 271 M HN -0.054 nan 8.290 nan 0.000 0.471 272 D N 1.064 121.546 120.400 0.135 0.000 2.414 272 D HA 0.102 4.727 4.640 -0.025 0.000 0.242 272 D C -1.136 175.456 176.300 0.487 0.000 1.129 272 D CA 0.626 54.744 54.000 0.197 0.000 0.885 272 D CB 0.685 41.647 40.800 0.270 0.000 1.198 272 D HN 0.264 nan 8.370 nan 0.000 0.437 273 W N 1.297 122.806 121.300 0.347 0.000 2.520 273 W HA 0.457 5.132 4.660 0.026 0.000 0.323 273 W C -0.383 176.381 176.519 0.408 0.000 1.062 273 W CA -0.840 56.740 57.345 0.393 0.000 1.215 273 W CB 0.758 30.487 29.460 0.448 0.000 1.340 273 W HN -0.092 nan 8.180 nan 0.000 0.516 274 V N 3.399 123.677 119.914 0.608 0.000 2.656 274 V HA 0.538 4.642 4.120 -0.025 0.000 0.307 274 V C -0.454 175.822 176.094 0.304 0.000 1.051 274 V CA -1.089 61.441 62.300 0.385 0.000 0.893 274 V CB 2.021 34.041 31.823 0.329 0.000 0.999 274 V HN 0.212 nan 8.190 nan 0.000 0.426 275 V N 3.865 123.782 119.914 0.006 0.000 2.459 275 V HA 0.514 4.619 4.120 -0.025 0.000 0.295 275 V C -0.460 175.369 176.094 -0.441 0.000 1.029 275 V CA -0.540 61.506 62.300 -0.423 0.000 0.874 275 V CB 1.566 32.762 31.823 -1.045 0.000 0.985 275 V HN 0.977 nan 8.190 nan 0.000 0.438 276 H N 4.534 123.246 119.070 -0.597 0.000 2.689 276 H HA 0.415 4.956 4.556 -0.026 0.000 0.346 276 H C -1.828 173.346 175.328 -0.256 0.000 1.037 276 H CA -0.820 55.141 56.048 -0.145 0.000 1.234 276 H CB 1.419 31.343 29.762 0.269 0.000 1.572 276 H HN 0.609 nan 8.280 nan 0.000 0.524 277 W N 6.470 127.956 121.300 0.309 0.000 2.587 277 W HA 0.253 4.897 4.660 -0.026 0.000 0.324 277 W C -1.310 175.399 176.519 0.316 0.000 1.040 277 W CA -0.824 56.595 57.345 0.124 0.000 1.222 277 W CB 1.551 30.993 29.460 -0.030 0.000 1.381 277 W HN 0.556 nan 8.180 nan 0.000 0.483 278 Y N 0.880 121.412 120.300 0.386 0.000 2.581 278 Y HA 0.604 5.138 4.550 -0.027 0.000 0.337 278 Y C -0.905 175.180 175.900 0.307 0.000 1.108 278 Y CA -1.268 57.058 58.100 0.376 0.000 1.033 278 Y CB 1.114 39.668 38.460 0.156 0.000 1.318 278 Y HN 0.457 nan 8.280 nan 0.000 0.459 279 N N -0.621 118.263 118.700 0.308 0.000 3.344 279 N HA 0.273 4.998 4.740 -0.025 0.000 0.296 279 N C -0.609 174.979 175.510 0.129 0.000 1.571 279 N CA -0.652 52.437 53.050 0.065 0.000 0.844 279 N CB 0.361 38.687 38.487 -0.269 0.000 1.718 279 N HN 0.552 nan 8.380 nan 0.000 0.589 280 D N -0.641 119.791 120.400 0.053 0.000 2.309 280 D HA 0.045 4.670 4.640 -0.025 0.000 0.212 280 D C 1.307 177.638 176.300 0.052 0.000 0.968 280 D CA 1.485 55.521 54.000 0.060 0.000 0.882 280 D CB -0.235 40.584 40.800 0.031 0.000 0.918 280 D HN 0.627 nan 8.370 nan 0.000 0.503 281 A N -0.332 122.508 122.820 0.033 0.000 1.956 281 A HA 0.560 4.865 4.320 -0.025 0.000 0.212 281 A C 1.031 178.648 177.584 0.055 0.000 1.188 281 A CA 0.976 53.036 52.037 0.038 0.000 0.675 281 A CB 0.418 19.433 19.000 0.024 0.000 0.845 281 A HN 0.196 nan 8.150 nan 0.000 0.455 282 A N -0.651 122.234 122.820 0.109 0.000 2.612 282 A HA 0.617 4.922 4.320 -0.025 0.000 0.293 282 A C -1.353 176.276 177.584 0.074 0.000 1.075 282 A CA -0.485 51.572 52.037 0.033 0.000 0.680 282 A CB 0.713 19.748 19.000 0.059 0.000 1.279 282 A HN 0.528 nan 8.150 nan 0.000 0.411 283 Q N 0.203 119.856 119.800 -0.244 0.000 2.372 283 Q HA 0.829 5.154 4.340 -0.025 0.000 0.273 283 Q C -1.877 173.777 176.000 -0.577 0.000 1.078 283 Q CA -0.677 55.100 55.803 -0.044 0.000 0.806 283 Q CB 1.947 30.849 28.738 0.273 0.000 1.332 283 Q HN 0.638 nan 8.270 nan 0.000 0.435 284 Y N 0.385 120.825 120.300 0.234 0.000 2.588 284 Y HA 0.768 5.302 4.550 -0.026 0.000 0.343 284 Y C -1.172 174.965 175.900 0.396 0.000 1.065 284 Y CA -0.721 57.380 58.100 0.000 0.000 1.038 284 Y CB 1.780 40.235 38.460 -0.009 0.000 1.297 284 Y HN 0.885 nan 8.280 nan 0.000 0.467 285 W N -0.790 120.817 121.300 0.511 0.000 3.066 285 W HA 0.779 5.423 4.660 -0.027 0.000 0.330 285 W C -1.684 175.014 176.519 0.300 0.000 1.253 285 W CA -1.267 56.273 57.345 0.326 0.000 1.187 285 W CB 1.289 30.734 29.460 -0.025 0.000 1.434 285 W HN 0.581 nan 8.180 nan 0.000 0.572 286 T N 0.648 115.505 114.554 0.505 0.000 2.942 286 T HA 0.437 4.772 4.350 -0.025 0.000 0.327 286 T C -1.682 173.165 174.700 0.245 0.000 1.360 286 T CA -0.625 61.712 62.100 0.396 0.000 1.055 286 T CB 0.660 69.803 68.868 0.458 0.000 1.261 286 T HN 0.418 nan 8.240 nan 0.000 0.485 287 Y N 2.263 122.758 120.300 0.325 0.000 2.397 287 Y HA 0.376 4.913 4.550 -0.022 0.000 0.335 287 Y C 1.792 177.874 175.900 0.305 0.000 1.213 287 Y CA 0.155 58.429 58.100 0.290 0.000 1.391 287 Y CB 0.856 39.458 38.460 0.236 0.000 1.293 287 Y HN 0.703 nan 8.280 nan 0.000 0.557 288 T N -0.950 113.907 114.554 0.504 0.000 2.881 288 T HA 0.453 4.788 4.350 -0.025 0.000 0.278 288 T C 0.295 175.187 174.700 0.320 0.000 0.982 288 T CA -0.795 61.576 62.100 0.451 0.000 0.989 288 T CB 1.092 70.280 68.868 0.533 0.000 1.058 288 T HN 0.685 nan 8.240 nan 0.000 0.529 289 S N 0.809 116.656 115.700 0.244 0.000 2.634 289 S HA 0.203 4.658 4.470 -0.025 0.000 0.261 289 S C 1.794 176.415 174.600 0.035 0.000 1.271 289 S CA -0.140 58.134 58.200 0.123 0.000 0.985 289 S CB 0.355 63.617 63.200 0.103 0.000 0.968 289 S HN 1.175 nan 8.310 nan 0.000 0.568 290 S N 0.640 116.313 115.700 -0.044 0.000 2.400 290 S HA -0.164 4.290 4.470 -0.025 0.000 0.232 290 S C 1.855 176.377 174.600 -0.129 0.000 1.025 290 S CA 1.255 59.362 58.200 -0.155 0.000 0.993 290 S CB -1.364 61.769 63.200 -0.111 0.000 0.808 290 S HN 1.165 nan 8.310 nan 0.000 0.478 291 S N 0.446 116.146 115.700 -0.000 0.000 2.561 291 S HA 0.404 4.859 4.470 -0.025 0.000 0.225 291 S C 1.661 176.372 174.600 0.186 0.000 0.977 291 S CA 0.611 58.852 58.200 0.070 0.000 0.926 291 S CB -0.646 62.592 63.200 0.064 0.000 0.769 291 S HN 1.529 nan 8.310 nan 0.000 0.533 292 G N 0.403 109.354 108.800 0.250 0.000 2.175 292 G HA2 -0.248 3.697 3.960 -0.025 0.000 0.244 292 G HA3 -0.248 3.697 3.960 -0.025 0.000 0.244 292 G C 0.164 175.289 174.900 0.375 0.000 0.982 292 G CA 0.088 45.476 45.100 0.481 0.000 0.641 292 G HN 0.640 nan 8.290 nan 0.000 0.527 293 S N 0.474 116.312 115.700 0.230 0.000 2.562 293 S HA 0.612 5.066 4.470 -0.025 0.000 0.281 293 S C -0.136 174.621 174.600 0.262 0.000 1.333 293 S CA 0.733 59.011 58.200 0.131 0.000 1.052 293 S CB 0.243 63.480 63.200 0.063 0.000 0.884 293 S HN 1.276 nan 8.310 nan 0.000 0.506 294 F N -0.667 119.370 119.950 0.145 0.000 2.654 294 F HA 0.754 5.262 4.527 -0.031 0.000 0.308 294 F C -0.780 175.118 175.800 0.163 0.000 1.108 294 F CA -0.849 57.265 58.000 0.189 0.000 0.957 294 F CB 1.374 40.525 39.000 0.251 0.000 1.309 294 F HN 0.293 nan 8.300 nan 0.000 0.446 295 T N 1.472 116.249 114.554 0.372 0.000 2.928 295 T HA 0.476 4.811 4.350 -0.025 0.000 0.296 295 T C -0.541 174.313 174.700 0.256 0.000 1.000 295 T CA -0.774 61.460 62.100 0.222 0.000 0.989 295 T CB 1.373 70.279 68.868 0.064 0.000 1.005 295 T HN 0.965 nan 8.240 nan 0.000 0.442 296 S N 3.881 119.629 115.700 0.079 0.000 2.576 296 S HA 0.382 4.837 4.470 -0.025 0.000 0.272 296 S C -2.418 172.067 174.600 -0.191 0.000 1.352 296 S CA -0.892 57.160 58.200 -0.248 0.000 1.021 296 S CB -0.206 62.328 63.200 -1.110 0.000 0.887 296 S HN 0.344 nan 8.310 nan 0.000 0.542 297 P HA 0.257 nan 4.420 nan 0.000 0.271 297 P C -0.713 176.374 177.300 -0.356 0.000 1.244 297 P CA -0.314 62.679 63.100 -0.178 0.000 0.793 297 P CB 0.060 31.706 31.700 -0.090 0.000 0.984 298 A N 1.732 124.388 122.820 -0.274 0.000 2.491 298 A HA 0.283 4.588 4.320 -0.025 0.000 0.261 298 A C 0.115 177.404 177.584 -0.492 0.000 1.101 298 A CA 0.339 52.185 52.037 -0.318 0.000 0.772 298 A CB -0.995 17.886 19.000 -0.199 0.000 1.043 298 A HN 0.409 nan 8.150 nan 0.000 0.501 299 M N 2.723 121.942 119.600 -0.636 0.000 2.364 299 M HA 0.278 4.743 4.480 -0.025 0.000 0.334 299 M C 0.048 176.135 176.300 -0.356 0.000 1.107 299 M CA -0.363 54.385 55.300 -0.920 0.000 0.988 299 M CB 1.934 33.809 32.600 -1.208 0.000 1.673 299 M HN 0.605 nan 8.290 nan 0.000 0.441 300 K N 2.560 122.918 120.400 -0.069 0.000 2.489 300 K HA 0.113 4.418 4.320 -0.025 0.000 0.278 300 K C -2.384 174.295 176.600 0.131 0.000 1.000 300 K CA -1.083 55.253 56.287 0.082 0.000 1.012 300 K CB -0.302 32.322 32.500 0.207 0.000 0.903 300 K HN 0.242 nan 8.250 nan 0.000 0.485 301 P HA 0.048 nan 4.420 nan 0.000 0.268 301 P C -0.058 177.305 177.300 0.105 0.000 1.208 301 P CA 0.178 63.321 63.100 0.073 0.000 0.777 301 P CB 0.868 32.579 31.700 0.018 0.000 0.875 302 G N 0.280 109.137 108.800 0.096 0.000 2.357 302 G HA2 0.188 4.132 3.960 -0.025 0.000 0.289 302 G HA3 0.188 4.132 3.960 -0.025 0.000 0.289 302 G C -1.459 173.419 174.900 -0.037 0.000 1.302 302 G CA -0.685 44.393 45.100 -0.036 0.000 0.936 302 G HN 0.451 nan 8.290 nan 0.000 0.513 303 T N 0.582 115.019 114.554 -0.195 0.000 2.824 303 T HA 0.695 5.030 4.350 -0.025 0.000 0.280 303 T C -1.255 173.271 174.700 -0.290 0.000 0.995 303 T CA 0.092 62.127 62.100 -0.108 0.000 1.009 303 T CB 1.055 69.879 68.868 -0.073 0.000 0.955 303 T HN 0.432 nan 8.240 nan 0.000 0.452 304 Y N 0.455 120.755 120.300 0.000 0.000 2.499 304 Y HA 0.404 4.940 4.550 -0.024 0.000 0.347 304 Y C 0.812 176.646 175.900 -0.111 0.000 0.987 304 Y CA -1.032 57.058 58.100 -0.017 0.000 1.044 304 Y CB 1.656 40.194 38.460 0.131 0.000 1.245 304 Y HN 0.478 nan 8.280 nan 0.000 0.461 305 T N 4.244 118.671 114.554 -0.211 0.000 2.851 305 T HA 0.315 4.650 4.350 -0.025 0.000 0.298 305 T C -0.389 174.120 174.700 -0.319 0.000 0.977 305 T CA -0.196 61.663 62.100 -0.403 0.000 1.126 305 T CB 0.139 68.480 68.868 -0.879 0.000 0.916 305 T HN 0.519 nan 8.240 nan 0.000 0.529 306 M N 4.470 123.942 119.600 -0.214 0.000 2.181 306 M HA 0.569 5.034 4.480 -0.025 0.000 0.323 306 M C -1.702 174.402 176.300 -0.326 0.000 1.004 306 M CA -0.665 54.452 55.300 -0.304 0.000 0.941 306 M CB 0.893 33.400 32.600 -0.155 0.000 1.579 306 M HN 0.325 nan 8.290 nan 0.000 0.427 307 V N 5.262 124.928 119.914 -0.413 0.000 2.604 307 V HA 0.394 4.499 4.120 -0.025 0.000 0.305 307 V C -1.342 174.483 176.094 -0.448 0.000 1.043 307 V CA -0.688 61.367 62.300 -0.407 0.000 0.888 307 V CB 1.812 33.374 31.823 -0.436 0.000 0.995 307 V HN 0.814 nan 8.190 nan 0.000 0.429 308 Y N 4.623 124.595 120.300 -0.546 0.000 2.334 308 Y HA 0.653 5.183 4.550 -0.033 0.000 0.336 308 Y C -1.297 174.373 175.900 -0.383 0.000 0.960 308 Y CA -0.853 56.998 58.100 -0.416 0.000 1.164 308 Y CB 1.030 39.294 38.460 -0.326 0.000 1.155 308 Y HN 0.622 nan 8.280 nan 0.000 0.478 309 Y N 3.826 124.174 120.300 0.080 0.000 2.420 309 Y HA 0.256 4.789 4.550 -0.029 0.000 0.334 309 Y C -0.477 175.402 175.900 -0.036 0.000 1.094 309 Y CA -0.989 57.120 58.100 0.015 0.000 1.126 309 Y CB 1.675 40.272 38.460 0.229 0.000 1.217 309 Y HN 0.513 nan 8.280 nan 0.000 0.462 310 Q N 1.565 121.437 119.800 0.120 0.000 2.340 310 Q HA 0.592 4.916 4.340 -0.025 0.000 0.259 310 Q C 0.574 176.735 176.000 0.267 0.000 0.964 310 Q CA -0.292 55.657 55.803 0.243 0.000 0.900 310 Q CB 1.668 30.480 28.738 0.124 0.000 1.228 310 Q HN 0.928 nan 8.270 nan 0.000 0.449 311 G N 3.809 112.769 108.800 0.268 0.000 2.620 311 G HA2 -0.403 3.541 3.960 -0.025 0.000 0.315 311 G HA3 -0.403 3.541 3.960 -0.025 0.000 0.315 311 G C 0.320 175.123 174.900 -0.161 0.000 1.179 311 G CA 0.596 45.744 45.100 0.080 0.000 0.971 311 G HN 0.742 nan 8.290 nan 0.000 0.544 312 E N -0.532 119.490 120.200 -0.296 0.000 2.603 312 E HA 0.292 4.626 4.350 -0.025 0.000 0.211 312 E C -0.497 176.091 176.600 -0.021 0.000 0.995 312 E CA -0.313 55.688 56.400 -0.665 0.000 0.990 312 E CB 0.864 30.009 29.700 -0.925 0.000 1.036 312 E HN 0.399 nan 8.360 nan 0.000 0.475 313 Y N 1.737 122.097 120.300 0.100 0.000 2.341 313 Y HA 0.423 4.958 4.550 -0.025 0.000 0.340 313 Y C -0.199 175.834 175.900 0.222 0.000 0.997 313 Y CA -1.056 57.151 58.100 0.177 0.000 1.149 313 Y CB 0.729 39.273 38.460 0.139 0.000 1.171 313 Y HN -0.055 nan 8.280 nan 0.000 0.494 314 A N 5.598 128.352 122.820 -0.110 0.000 2.404 314 A HA 0.403 4.708 4.320 -0.025 0.000 0.273 314 A C 0.733 178.146 177.584 -0.285 0.000 1.144 314 A CA 0.130 52.018 52.037 -0.248 0.000 0.806 314 A CB -0.170 18.651 19.000 -0.300 0.000 1.080 314 A HN 1.119 nan 8.150 nan 0.000 0.509 315 V N -0.209 119.547 119.914 -0.263 0.000 3.431 315 V HA 0.622 4.727 4.120 -0.025 0.000 0.253 315 V C 0.670 176.638 176.094 -0.211 0.000 1.184 315 V CA 0.824 62.988 62.300 -0.226 0.000 1.104 315 V CB -0.919 30.674 31.823 -0.382 0.000 0.799 315 V HN 1.577 nan 8.190 nan 0.000 0.462 316 A N -0.507 122.187 122.820 -0.210 0.000 2.589 316 A HA 0.767 5.072 4.320 -0.025 0.000 0.296 316 A C -0.516 176.985 177.584 -0.139 0.000 1.062 316 A CA -0.177 51.791 52.037 -0.114 0.000 0.686 316 A CB 1.603 20.603 19.000 0.001 0.000 1.282 316 A HN 0.207 nan 8.150 nan 0.000 0.404 317 T N 0.856 115.341 114.554 -0.115 0.000 2.893 317 T HA 0.800 5.134 4.350 -0.025 0.000 0.293 317 T C -0.184 174.463 174.700 -0.088 0.000 1.027 317 T CA -0.335 61.691 62.100 -0.123 0.000 0.988 317 T CB 1.685 70.486 68.868 -0.112 0.000 1.043 317 T HN 1.012 nan 8.240 nan 0.000 0.461 318 S N 0.766 116.411 115.700 -0.092 0.000 2.840 318 S HA 0.849 5.304 4.470 -0.025 0.000 0.307 318 S C -1.321 173.251 174.600 -0.047 0.000 1.180 318 S CA -0.586 57.583 58.200 -0.052 0.000 0.846 318 S CB 1.752 64.938 63.200 -0.023 0.000 1.233 318 S HN 0.664 nan 8.310 nan 0.000 0.548 319 S N 0.138 115.834 115.700 -0.007 0.000 2.542 319 S HA 0.853 5.308 4.470 -0.025 0.000 0.293 319 S C -1.590 173.053 174.600 0.073 0.000 1.089 319 S CA -0.442 57.768 58.200 0.016 0.000 0.961 319 S CB 1.451 64.647 63.200 -0.006 0.000 1.062 319 S HN 0.860 nan 8.310 nan 0.000 0.483 320 V N 3.031 123.022 119.914 0.128 0.000 3.048 320 V HA 0.707 4.812 4.120 -0.025 0.000 0.303 320 V C -1.060 175.130 176.094 0.159 0.000 1.214 320 V CA -0.257 62.133 62.300 0.151 0.000 0.984 320 V CB 2.494 34.449 31.823 0.220 0.000 1.054 320 V HN 0.968 nan 8.190 nan 0.000 0.430 321 T N 4.563 119.179 114.554 0.103 0.000 2.829 321 T HA 0.688 5.022 4.350 -0.025 0.000 0.280 321 T C -0.843 173.893 174.700 0.060 0.000 0.999 321 T CA -0.352 61.804 62.100 0.092 0.000 0.983 321 T CB 1.591 70.485 68.868 0.044 0.000 0.968 321 T HN 0.541 nan 8.240 nan 0.000 0.446 322 V N 2.781 122.742 119.914 0.078 0.000 2.495 322 V HA 0.602 4.706 4.120 -0.025 0.000 0.298 322 V C -0.125 175.968 176.094 -0.002 0.000 1.031 322 V CA -0.632 61.666 62.300 -0.002 0.000 0.871 322 V CB 2.042 33.828 31.823 -0.062 0.000 0.988 322 V HN 0.958 nan 8.190 nan 0.000 0.432 323 S N 2.601 118.280 115.700 -0.035 0.000 2.503 323 S HA 0.747 5.202 4.470 -0.025 0.000 0.301 323 S C 0.156 174.725 174.600 -0.052 0.000 1.087 323 S CA -0.457 57.724 58.200 -0.032 0.000 1.042 323 S CB 1.812 64.997 63.200 -0.026 0.000 1.043 323 S HN 1.089 nan 8.310 nan 0.000 0.489 324 A N 1.245 124.038 122.820 -0.046 0.000 2.546 324 A HA 0.485 4.790 4.320 -0.025 0.000 0.243 324 A C 1.491 179.043 177.584 -0.054 0.000 1.063 324 A CA 0.540 52.544 52.037 -0.056 0.000 0.757 324 A CB -1.088 17.886 19.000 -0.044 0.000 0.991 324 A HN 1.928 nan 8.150 nan 0.000 0.503 325 G N 1.715 110.476 108.800 -0.065 0.000 2.184 325 G HA2 -0.187 3.758 3.960 -0.025 0.000 0.264 325 G HA3 -0.187 3.758 3.960 -0.025 0.000 0.264 325 G C 0.332 175.197 174.900 -0.058 0.000 0.975 325 G CA 0.550 45.616 45.100 -0.057 0.000 0.642 325 G HN 1.387 nan 8.290 nan 0.000 0.536 326 S N -0.363 115.297 115.700 -0.066 0.000 2.536 326 S HA 0.725 5.180 4.470 -0.025 0.000 0.298 326 S C -0.162 174.389 174.600 -0.083 0.000 1.083 326 S CA -0.299 57.863 58.200 -0.063 0.000 0.995 326 S CB 2.132 65.302 63.200 -0.050 0.000 1.058 326 S HN 0.356 nan 8.310 nan 0.000 0.488 327 T N 2.731 117.239 114.554 -0.076 0.000 2.749 327 T HA 0.384 4.719 4.350 -0.025 0.000 0.287 327 T C -0.223 174.435 174.700 -0.070 0.000 0.970 327 T CA -0.374 61.673 62.100 -0.089 0.000 0.980 327 T CB 0.781 69.599 68.868 -0.083 0.000 0.924 327 T HN 0.500 nan 8.240 nan 0.000 0.456 328 T N 3.937 118.447 114.554 -0.074 0.000 2.749 328 T HA 0.256 4.590 4.350 -0.025 0.000 0.295 328 T C 0.534 175.221 174.700 -0.022 0.000 0.936 328 T CA -0.414 61.663 62.100 -0.039 0.000 1.060 328 T CB 0.370 69.223 68.868 -0.026 0.000 0.904 328 T HN 0.478 nan 8.240 nan 0.000 0.500 329 T N 4.668 119.211 114.554 -0.018 0.000 2.761 329 T HA 0.413 4.748 4.350 -0.025 0.000 0.296 329 T C 0.187 174.900 174.700 0.022 0.000 0.934 329 T CA -0.487 61.601 62.100 -0.020 0.000 1.091 329 T CB 0.265 69.113 68.868 -0.034 0.000 0.896 329 T HN 0.418 nan 8.240 nan 0.000 0.515 330 K N 3.685 124.122 120.400 0.060 0.000 2.656 330 K HA 0.279 4.584 4.320 -0.025 0.000 0.253 330 K C -0.799 175.911 176.600 0.183 0.000 1.002 330 K CA -0.388 55.976 56.287 0.128 0.000 0.880 330 K CB 0.786 33.404 32.500 0.197 0.000 1.232 330 K HN 0.550 nan 8.250 nan 0.000 0.456 331 N N 2.994 121.760 118.700 0.109 0.000 2.434 331 N HA 0.558 5.283 4.740 -0.025 0.000 0.266 331 N C -0.867 174.706 175.510 0.104 0.000 1.223 331 N CA -0.718 52.400 53.050 0.114 0.000 0.972 331 N CB 1.107 39.620 38.487 0.043 0.000 1.207 331 N HN 0.481 nan 8.380 nan 0.000 0.525 332 I N -0.057 120.539 120.570 0.044 0.000 2.752 332 I HA 0.358 4.513 4.170 -0.025 0.000 0.295 332 I C -1.419 174.636 176.117 -0.104 0.000 1.219 332 I CA -0.219 61.054 61.300 -0.046 0.000 1.030 332 I CB 1.520 39.448 38.000 -0.119 0.000 1.259 332 I HN 0.714 nan 8.210 nan 0.000 0.423 333 S N 4.432 120.138 115.700 0.011 0.000 2.541 333 S HA 1.023 5.478 4.470 -0.025 0.000 0.271 333 S C -0.700 173.966 174.600 0.110 0.000 1.133 333 S CA -0.251 57.996 58.200 0.079 0.000 0.876 333 S CB 1.940 65.160 63.200 0.032 0.000 1.105 333 S HN 1.261 nan 8.310 nan 0.000 0.470 334 G N 0.386 109.248 108.800 0.103 0.000 2.368 334 G HA2 0.644 4.589 3.960 -0.025 0.000 0.293 334 G HA3 0.644 4.589 3.960 -0.025 0.000 0.293 334 G C -1.149 173.676 174.900 -0.125 0.000 1.467 334 G CA -0.086 44.994 45.100 -0.034 0.000 0.804 334 G HN 1.869 nan 8.290 nan 0.000 0.535 335 S N -1.645 113.976 115.700 -0.132 0.000 2.596 335 S HA 0.718 5.173 4.470 -0.025 0.000 0.270 335 S C -0.882 173.628 174.600 -0.151 0.000 1.155 335 S CA -0.781 57.331 58.200 -0.146 0.000 0.827 335 S CB 1.619 64.762 63.200 -0.095 0.000 1.130 335 S HN 1.292 nan 8.310 nan 0.000 0.467 336 V N 2.620 122.426 119.914 -0.180 0.000 2.470 336 V HA 0.361 4.466 4.120 -0.025 0.000 0.276 336 V C -0.106 175.821 176.094 -0.279 0.000 1.040 336 V CA -0.141 61.996 62.300 -0.271 0.000 1.008 336 V CB 0.361 31.921 31.823 -0.439 0.000 0.990 336 V HN 0.703 nan 8.190 nan 0.000 0.477 337 K N 4.104 124.324 120.400 -0.299 0.000 2.235 337 K HA 0.550 4.855 4.320 -0.025 0.000 0.266 337 K C 0.511 176.839 176.600 -0.454 0.000 0.980 337 K CA -0.273 55.837 56.287 -0.295 0.000 0.849 337 K CB 2.121 34.499 32.500 -0.204 0.000 1.098 337 K HN 0.886 nan 8.250 nan 0.000 0.445 338 T N -1.068 113.153 114.554 -0.555 0.000 3.216 338 T HA 0.582 4.916 4.350 -0.025 0.000 0.167 338 T C 0.793 174.961 174.700 -0.888 0.000 0.905 338 T CA 0.368 61.804 62.100 -1.106 0.000 1.042 338 T CB 0.601 68.747 68.868 -1.203 0.000 1.787 338 T HN 0.585 nan 8.240 nan 0.000 0.355 339 G N 0.474 108.947 108.800 -0.545 0.000 2.392 339 G HA2 0.426 4.371 3.960 -0.025 0.000 0.260 339 G HA3 0.426 4.371 3.960 -0.025 0.000 0.260 339 G C -1.360 173.535 174.900 -0.009 0.000 1.226 339 G CA -0.260 44.775 45.100 -0.108 0.000 0.913 339 G HN 0.526 nan 8.290 nan 0.000 0.483 340 T N 2.045 116.648 114.554 0.080 0.000 2.738 340 T HA 0.488 4.823 4.350 -0.025 0.000 0.293 340 T C 0.155 174.915 174.700 0.099 0.000 0.913 340 T CA 0.382 62.522 62.100 0.067 0.000 1.103 340 T CB 0.602 69.504 68.868 0.058 0.000 0.880 340 T HN 0.503 nan 8.240 nan 0.000 0.526 341 T N 4.719 119.313 114.554 0.067 0.000 2.794 341 T HA 0.298 4.633 4.350 -0.025 0.000 0.296 341 T C 1.610 176.333 174.700 0.038 0.000 0.949 341 T CA -0.503 61.635 62.100 0.063 0.000 1.101 341 T CB 0.604 69.496 68.868 0.039 0.000 0.905 341 T HN 0.442 nan 8.240 nan 0.000 0.516 342 I N 2.167 122.729 120.570 -0.013 0.000 2.296 342 I HA 0.173 4.328 4.170 -0.025 0.000 0.242 342 I C 0.473 176.648 176.117 0.096 0.000 1.087 342 I CA 0.827 62.140 61.300 0.021 0.000 1.393 342 I CB 0.121 38.106 38.000 -0.025 0.000 1.093 342 I HN 0.631 nan 8.210 nan 0.000 0.421 343 F N -0.300 119.612 119.950 -0.063 0.000 2.645 343 F HA 0.668 5.179 4.527 -0.027 0.000 0.310 343 F C -0.877 174.892 175.800 -0.051 0.000 1.102 343 F CA -1.186 56.780 58.000 -0.057 0.000 0.952 343 F CB 1.444 40.393 39.000 -0.084 0.000 1.326 343 F HN -0.342 nan 8.300 nan 0.000 0.456 344 K N 3.367 123.896 120.400 0.214 0.000 2.535 344 K HA 0.629 4.934 4.320 -0.025 0.000 0.250 344 K C -2.062 174.546 176.600 0.012 0.000 0.948 344 K CA -0.611 55.706 56.287 0.050 0.000 0.796 344 K CB 1.893 34.384 32.500 -0.015 0.000 1.216 344 K HN 0.849 nan 8.250 nan 0.000 0.432 345 I N 4.352 124.842 120.570 -0.132 0.000 2.354 345 I HA 0.453 4.608 4.170 -0.025 0.000 0.286 345 I C 0.531 176.350 176.117 -0.496 0.000 1.007 345 I CA -0.248 60.801 61.300 -0.418 0.000 1.167 345 I CB 1.278 38.810 38.000 -0.779 0.000 1.320 345 I HN 0.981 nan 8.210 nan 0.000 0.458 346 G N 5.429 113.925 108.800 -0.508 0.000 2.660 346 G HA2 -0.108 3.836 3.960 -0.025 0.000 0.215 346 G HA3 -0.108 3.836 3.960 -0.025 0.000 0.215 346 G C -0.916 173.799 174.900 -0.308 0.000 1.345 346 G CA -0.779 44.083 45.100 -0.396 0.000 0.877 346 G HN 0.529 nan 8.290 nan 0.000 0.549 347 E N -1.241 118.807 120.200 -0.253 0.000 2.369 347 E HA 0.408 4.743 4.350 -0.025 0.000 0.270 347 E C -0.941 175.457 176.600 -0.336 0.000 0.909 347 E CA -0.757 55.485 56.400 -0.264 0.000 0.775 347 E CB 1.329 30.966 29.700 -0.104 0.000 1.270 347 E HN 0.518 nan 8.360 nan 0.000 0.445 348 W N 2.616 123.827 121.300 -0.149 0.000 1.606 348 W HA 0.104 4.745 4.660 -0.031 0.000 0.455 348 W C 0.339 176.729 176.519 -0.215 0.000 0.711 348 W CA -0.092 57.066 57.345 -0.312 0.000 1.876 348 W CB 0.121 29.203 29.460 -0.630 0.000 1.776 348 W HN 0.395 nan 8.180 nan 0.000 0.229 349 D N -0.798 119.666 120.400 0.107 0.000 2.503 349 D HA 0.135 4.759 4.640 -0.025 0.000 0.218 349 D C 1.607 177.983 176.300 0.127 0.000 1.183 349 D CA -0.045 54.027 54.000 0.120 0.000 0.827 349 D CB 0.031 40.859 40.800 0.046 0.000 1.034 349 D HN 0.291 nan 8.370 nan 0.000 0.510 350 G N 0.310 109.249 108.800 0.233 0.000 2.179 350 G HA2 -0.306 3.639 3.960 -0.025 0.000 0.257 350 G HA3 -0.306 3.639 3.960 -0.025 0.000 0.257 350 G C -0.083 174.860 174.900 0.071 0.000 1.010 350 G CA 0.537 45.748 45.100 0.184 0.000 0.736 350 G HN 0.505 nan 8.290 nan 0.000 0.513 351 Q N -1.049 118.748 119.800 -0.006 0.000 2.456 351 Q HA 0.486 4.811 4.340 -0.025 0.000 0.283 351 Q C -2.397 173.502 176.000 -0.168 0.000 1.084 351 Q CA -1.946 53.761 55.803 -0.160 0.000 0.801 351 Q CB 2.889 31.480 28.738 -0.246 0.000 1.434 351 Q HN 0.075 nan 8.270 nan 0.000 0.419 352 P HA 0.023 nan 4.420 nan 0.000 0.249 352 P C -0.521 176.818 177.300 0.064 0.000 1.544 352 P CA -0.016 62.934 63.100 -0.250 0.000 0.932 352 P CB -0.198 31.352 31.700 -0.252 0.000 1.524 353 T N 0.757 115.321 114.554 0.016 0.000 2.871 353 T HA 0.285 4.620 4.350 -0.025 0.000 0.296 353 T C 1.562 176.339 174.700 0.128 0.000 0.998 353 T CA 1.614 63.732 62.100 0.030 0.000 1.162 353 T CB -0.103 68.743 68.868 -0.035 0.000 0.947 353 T HN 0.407 nan 8.240 nan 0.000 0.536 354 G N 2.911 111.749 108.800 0.064 0.000 2.234 354 G HA2 -0.224 3.720 3.960 -0.025 0.000 0.235 354 G HA3 -0.224 3.720 3.960 -0.025 0.000 0.235 354 G C 0.152 175.022 174.900 -0.049 0.000 0.997 354 G CA -0.536 44.548 45.100 -0.026 0.000 0.623 354 G HN 0.626 nan 8.290 nan 0.000 0.514 355 F N 1.394 121.311 119.950 -0.055 0.000 2.444 355 F HA 0.507 5.018 4.527 -0.027 0.000 0.331 355 F C 1.383 177.170 175.800 -0.022 0.000 1.167 355 F CA -0.272 57.722 58.000 -0.010 0.000 1.262 355 F CB 0.473 39.498 39.000 0.041 0.000 1.196 355 F HN 0.117 nan 8.300 nan 0.000 0.583 356 R N 2.326 122.923 120.500 0.162 0.000 2.504 356 R HA -0.087 4.237 4.340 -0.025 0.000 0.291 356 R C 0.220 176.465 176.300 -0.091 0.000 0.974 356 R CA 0.475 56.571 56.100 -0.007 0.000 1.077 356 R CB -0.167 30.100 30.300 -0.054 0.000 0.926 356 R HN 0.827 nan 8.270 nan 0.000 0.407 357 N N 1.330 119.929 118.700 -0.168 0.000 2.936 357 N HA -0.270 4.455 4.740 -0.025 0.000 0.236 357 N C 0.571 176.038 175.510 -0.072 0.000 0.930 357 N CA 1.354 54.270 53.050 -0.223 0.000 0.966 357 N CB -1.356 36.787 38.487 -0.575 0.000 1.090 357 N HN 0.687 nan 8.380 nan 0.000 0.592 358 A N 0.412 123.228 122.820 -0.008 0.000 1.883 358 A HA 0.151 4.456 4.320 -0.025 0.000 0.217 358 A C 2.411 179.967 177.584 -0.046 0.000 1.186 358 A CA 2.752 54.788 52.037 -0.001 0.000 0.624 358 A CB -0.769 18.248 19.000 0.028 0.000 0.822 358 A HN 0.573 nan 8.150 nan 0.000 0.444 359 A N -0.165 122.626 122.820 -0.048 0.000 1.898 359 A HA -0.185 4.119 4.320 -0.025 0.000 0.216 359 A C 1.919 179.464 177.584 -0.066 0.000 1.181 359 A CA 1.673 53.679 52.037 -0.053 0.000 0.620 359 A CB -0.808 18.169 19.000 -0.039 0.000 0.819 359 A HN 0.712 nan 8.150 nan 0.000 0.442 360 N N -0.793 117.860 118.700 -0.078 0.000 2.188 360 N HA -0.172 4.553 4.740 -0.025 0.000 0.184 360 N C 2.004 177.435 175.510 -0.132 0.000 1.018 360 N CA 0.930 53.918 53.050 -0.103 0.000 0.858 360 N CB -0.107 38.313 38.487 -0.111 0.000 0.989 360 N HN 0.504 nan 8.380 nan 0.000 0.426 361 Q N 1.262 121.011 119.800 -0.084 0.000 2.226 361 Q HA -0.132 4.193 4.340 -0.025 0.000 0.204 361 Q C 1.817 177.749 176.000 -0.114 0.000 0.975 361 Q CA 1.003 56.765 55.803 -0.067 0.000 0.866 361 Q CB -0.062 28.703 28.738 0.045 0.000 0.915 361 Q HN 0.501 nan 8.270 nan 0.000 0.440 362 L N 0.008 121.171 121.223 -0.100 0.000 2.275 362 L HA -0.099 4.226 4.340 -0.025 0.000 0.215 362 L C 1.609 178.369 176.870 -0.184 0.000 1.119 362 L CA 0.840 55.627 54.840 -0.088 0.000 0.790 362 L CB -0.061 41.952 42.059 -0.077 0.000 0.919 362 L HN 0.045 nan 8.230 nan 0.000 0.443 363 R N -0.512 119.802 120.500 -0.311 0.000 2.549 363 R HA 0.364 4.689 4.340 -0.025 0.000 0.344 363 R C -0.142 175.749 176.300 -0.683 0.000 0.979 363 R CA 0.136 56.014 56.100 -0.369 0.000 1.140 363 R CB 0.708 30.915 30.300 -0.156 0.000 1.377 363 R HN 0.323 nan 8.270 nan 0.000 0.541 364 M N -2.585 116.448 119.600 -0.944 0.000 2.833 364 M HA 0.410 4.874 4.480 -0.025 0.000 0.270 364 M C -1.155 174.816 176.300 -0.549 0.000 1.209 364 M CA -0.908 53.906 55.300 -0.809 0.000 0.826 364 M CB 2.450 34.884 32.600 -0.276 0.000 1.657 364 M HN -0.155 nan 8.290 nan 0.000 0.492 365 H N 1.147 120.090 119.070 -0.212 0.000 2.562 365 H HA 0.304 4.845 4.556 -0.025 0.000 0.352 365 H C -2.134 173.105 175.328 -0.149 0.000 1.125 365 H CA -0.824 55.191 56.048 -0.056 0.000 1.379 365 H CB 1.769 31.554 29.762 0.038 0.000 1.464 365 H HN 0.441 nan 8.280 nan 0.000 0.563 366 P HA -0.157 nan 4.420 nan 0.000 0.221 366 P C 1.240 178.274 177.300 -0.443 0.000 1.145 366 P CA 1.569 64.343 63.100 -0.543 0.000 0.795 366 P CB 0.146 30.975 31.700 -1.452 0.000 0.775 367 S N -2.686 112.862 115.700 -0.253 0.000 2.562 367 S HA -0.026 4.429 4.470 -0.025 0.000 0.221 367 S C 0.895 175.572 174.600 0.129 0.000 0.975 367 S CA -0.200 58.064 58.200 0.107 0.000 0.918 367 S CB -0.869 62.507 63.200 0.293 0.000 0.772 367 S HN 0.052 nan 8.310 nan 0.000 0.531 368 D N 2.696 123.153 120.400 0.095 0.000 2.455 368 D HA 0.028 4.653 4.640 -0.025 0.000 0.241 368 D C 1.362 177.688 176.300 0.043 0.000 1.138 368 D CA 0.693 54.730 54.000 0.061 0.000 0.877 368 D CB 1.453 42.271 40.800 0.029 0.000 1.187 368 D HN 0.412 nan 8.370 nan 0.000 0.451 369 S N 3.982 119.703 115.700 0.035 0.000 2.442 369 S HA -0.163 4.292 4.470 -0.025 0.000 0.236 369 S C 1.554 176.151 174.600 -0.005 0.000 1.007 369 S CA 0.694 58.908 58.200 0.022 0.000 0.965 369 S CB 0.004 63.217 63.200 0.021 0.000 0.773 369 S HN 0.523 nan 8.310 nan 0.000 0.504 370 R N -0.085 120.406 120.500 -0.015 0.000 2.276 370 R HA 0.252 4.577 4.340 -0.025 0.000 0.203 370 R C 0.368 176.624 176.300 -0.073 0.000 1.017 370 R CA 0.214 56.292 56.100 -0.037 0.000 1.010 370 R CB -0.153 30.128 30.300 -0.033 0.000 0.900 370 R HN 0.409 nan 8.270 nan 0.000 0.469 371 M N 0.974 120.524 119.600 -0.084 0.000 2.245 371 M HA 0.048 4.513 4.480 -0.025 0.000 0.344 371 M C 0.410 176.585 176.300 -0.209 0.000 1.170 371 M CA 0.616 55.811 55.300 -0.175 0.000 1.135 371 M CB 1.142 33.645 32.600 -0.162 0.000 1.574 371 M HN -0.051 nan 8.290 nan 0.000 0.452 372 S N 1.438 116.962 115.700 -0.292 0.000 2.600 372 S HA 0.103 4.558 4.470 -0.025 0.000 0.265 372 S C 0.319 174.709 174.600 -0.350 0.000 1.325 372 S CA -0.585 57.459 58.200 -0.259 0.000 1.002 372 S CB 0.833 63.896 63.200 -0.229 0.000 0.921 372 S HN 0.727 nan 8.310 nan 0.000 0.554 373 S N 0.154 115.734 115.700 -0.199 0.000 2.546 373 S HA -0.007 4.448 4.470 -0.025 0.000 0.290 373 S C 0.550 175.061 174.600 -0.149 0.000 1.290 373 S CA -0.137 57.993 58.200 -0.116 0.000 1.069 373 S CB -0.109 63.071 63.200 -0.034 0.000 0.846 373 S HN 0.670 nan 8.310 nan 0.000 0.495 374 W N 4.381 125.708 121.300 0.044 0.000 2.467 374 W HA 0.281 4.926 4.660 -0.026 0.000 0.275 374 W C 1.626 178.169 176.519 0.039 0.000 1.239 374 W CA 0.812 58.202 57.345 0.074 0.000 1.266 374 W CB -0.291 29.251 29.460 0.137 0.000 1.112 374 W HN 1.158 nan 8.180 nan 0.000 0.576 375 G N -1.298 107.631 108.800 0.214 0.000 2.306 375 G HA2 -0.117 3.828 3.960 -0.025 0.000 0.262 375 G HA3 -0.117 3.828 3.960 -0.025 0.000 0.262 375 G C -2.780 172.174 174.900 0.091 0.000 1.263 375 G CA -1.321 43.846 45.100 0.111 0.000 1.088 375 G HN -0.285 nan 8.290 nan 0.000 0.489 376 P HA 0.472 nan 4.420 nan 0.000 0.264 376 P C -0.235 177.073 177.300 0.012 0.000 1.193 376 P CA 0.191 63.310 63.100 0.032 0.000 0.763 376 P CB 0.365 32.076 31.700 0.019 0.000 0.810 377 L N 2.314 123.528 121.223 -0.014 0.000 2.334 377 L HA 0.466 4.791 4.340 -0.025 0.000 0.273 377 L C 0.365 177.214 176.870 -0.034 0.000 1.013 377 L CA -0.517 54.305 54.840 -0.030 0.000 0.816 377 L CB 1.882 43.910 42.059 -0.052 0.000 1.278 377 L HN 0.204 nan 8.230 nan 0.000 0.431 378 T N 1.028 115.576 114.554 -0.010 0.000 2.743 378 T HA 0.283 4.617 4.350 -0.025 0.000 0.292 378 T C -0.948 173.777 174.700 0.043 0.000 0.972 378 T CA -0.176 61.932 62.100 0.014 0.000 0.967 378 T CB 0.331 69.201 68.868 0.003 0.000 0.926 378 T HN 0.270 nan 8.240 nan 0.000 0.459 379 Y N 3.106 123.378 120.300 -0.047 0.000 2.341 379 Y HA 0.428 4.962 4.550 -0.027 0.000 0.340 379 Y C -0.011 175.878 175.900 -0.019 0.000 0.997 379 Y CA -0.513 57.583 58.100 -0.007 0.000 1.149 379 Y CB 0.900 39.429 38.460 0.116 0.000 1.171 379 Y HN 0.503 nan 8.280 nan 0.000 0.494 380 T N 6.520 120.830 114.554 -0.406 0.000 2.788 380 T HA 0.279 4.614 4.350 -0.025 0.000 0.296 380 T C -0.648 173.785 174.700 -0.446 0.000 1.009 380 T CA -0.614 61.313 62.100 -0.288 0.000 0.949 380 T CB 0.592 69.348 68.868 -0.188 0.000 0.946 380 T HN 0.459 nan 8.240 nan 0.000 0.453 381 V N 3.711 123.484 119.914 -0.235 0.000 2.509 381 V HA 0.351 4.455 4.120 -0.025 0.000 0.297 381 V C 1.576 177.601 176.094 -0.114 0.000 1.014 381 V CA 1.547 63.755 62.300 -0.154 0.000 1.127 381 V CB 0.059 31.802 31.823 -0.133 0.000 0.925 381 V HN 1.266 nan 8.190 nan 0.000 0.480 382 G N 4.021 112.752 108.800 -0.115 0.000 2.213 382 G HA2 -0.256 3.688 3.960 -0.025 0.000 0.236 382 G HA3 -0.256 3.688 3.960 -0.025 0.000 0.236 382 G C 0.820 175.654 174.900 -0.110 0.000 0.991 382 G CA 0.521 45.576 45.100 -0.076 0.000 0.629 382 G HN 0.702 nan 8.290 nan 0.000 0.517 383 S N -0.511 115.081 115.700 -0.181 0.000 2.931 383 S HA 0.381 4.836 4.470 -0.025 0.000 0.251 383 S C 1.093 175.558 174.600 -0.225 0.000 1.078 383 S CA 0.750 58.846 58.200 -0.172 0.000 0.835 383 S CB 0.411 63.518 63.200 -0.154 0.000 0.798 383 S HN 0.498 nan 8.310 nan 0.000 0.495 384 S N 2.119 117.584 115.700 -0.391 0.000 2.576 384 S HA 0.653 5.107 4.470 -0.025 0.000 0.276 384 S C 0.187 174.608 174.600 -0.298 0.000 1.339 384 S CA -0.491 57.449 58.200 -0.434 0.000 1.039 384 S CB 1.044 63.759 63.200 -0.809 0.000 0.902 384 S HN 0.571 nan 8.310 nan 0.000 0.516 385 A N 1.637 124.382 122.820 -0.125 0.000 2.286 385 A HA 0.479 4.784 4.320 -0.025 0.000 0.286 385 A C 1.122 178.761 177.584 0.091 0.000 1.097 385 A CA -0.589 51.428 52.037 -0.033 0.000 0.821 385 A CB 0.001 18.976 19.000 -0.043 0.000 1.076 385 A HN 0.788 nan 8.150 nan 0.000 0.490 386 L N 1.491 122.728 121.223 0.022 0.000 2.127 386 L HA -0.129 4.196 4.340 -0.025 0.000 0.211 386 L C 2.423 179.241 176.870 -0.085 0.000 1.089 386 L CA 2.970 57.749 54.840 -0.100 0.000 0.757 386 L CB -0.827 41.055 42.059 -0.294 0.000 0.899 386 L HN 0.856 nan 8.230 nan 0.000 0.434 387 T N -4.525 110.003 114.554 -0.042 0.000 3.227 387 T HA -0.032 4.303 4.350 -0.025 0.000 0.257 387 T C 1.001 175.708 174.700 0.011 0.000 1.162 387 T CA 0.755 62.841 62.100 -0.023 0.000 1.051 387 T CB -0.495 68.348 68.868 -0.042 0.000 0.953 387 T HN 0.307 nan 8.240 nan 0.000 0.535 388 D N -0.149 120.298 120.400 0.078 0.000 2.369 388 D HA 0.238 4.863 4.640 -0.025 0.000 0.211 388 D C -0.449 175.965 176.300 0.190 0.000 1.077 388 D CA -0.237 53.822 54.000 0.099 0.000 0.842 388 D CB 0.147 40.989 40.800 0.071 0.000 0.947 388 D HN 0.450 nan 8.370 nan 0.000 0.509 389 F N 3.171 123.151 119.950 0.049 0.000 2.405 389 F HA 0.311 4.824 4.527 -0.023 0.000 0.355 389 F C -2.143 173.705 175.800 0.080 0.000 1.121 389 F CA -2.529 55.449 58.000 -0.037 0.000 1.112 389 F CB 1.452 40.219 39.000 -0.388 0.000 1.126 389 F HN -0.272 nan 8.300 nan 0.000 0.481 390 P HA -0.033 nan 4.420 nan 0.000 0.271 390 P C 0.399 177.959 177.300 0.434 0.000 1.220 390 P CA -0.083 63.128 63.100 0.185 0.000 0.768 390 P CB 0.838 32.630 31.700 0.153 0.000 0.848 391 M N 2.124 121.989 119.600 0.442 0.000 2.358 391 M HA 0.106 4.571 4.480 -0.025 0.000 0.264 391 M C 0.434 176.917 176.300 0.305 0.000 1.064 391 M CA 1.444 56.928 55.300 0.306 0.000 1.093 391 M CB -0.175 32.566 32.600 0.236 0.000 1.401 391 M HN 0.228 nan 8.290 nan 0.000 0.440 392 A N 0.210 123.251 122.820 0.368 0.000 2.572 392 A HA 0.734 5.039 4.320 -0.025 0.000 0.295 392 A C -1.280 176.211 177.584 -0.156 0.000 1.072 392 A CA -0.737 51.255 52.037 -0.075 0.000 0.691 392 A CB 2.009 20.749 19.000 -0.434 0.000 1.291 392 A HN 0.159 nan 8.150 nan 0.000 0.404 393 V N 2.184 121.745 119.914 -0.589 0.000 2.448 393 V HA 0.772 4.877 4.120 -0.025 0.000 0.295 393 V C -1.609 174.072 176.094 -0.689 0.000 1.025 393 V CA -0.666 61.367 62.300 -0.446 0.000 0.859 393 V CB 0.810 32.457 31.823 -0.293 0.000 0.988 393 V HN 0.664 nan 8.190 nan 0.000 0.431 394 F N 5.147 124.940 119.950 -0.262 0.000 2.443 394 F HA 0.494 5.006 4.527 -0.025 0.000 0.335 394 F C 1.258 176.952 175.800 -0.176 0.000 1.104 394 F CA -0.587 57.270 58.000 -0.239 0.000 1.013 394 F CB 1.832 40.662 39.000 -0.284 0.000 1.136 394 F HN 0.499 nan 8.300 nan 0.000 0.470 395 K N 0.610 121.023 120.400 0.020 0.000 2.160 395 K HA -0.135 4.170 4.320 -0.025 0.000 0.206 395 K C 0.704 177.299 176.600 -0.008 0.000 1.047 395 K CA 1.673 57.959 56.287 -0.002 0.000 0.930 395 K CB 0.036 32.538 32.500 0.002 0.000 0.720 395 K HN 0.626 nan 8.250 nan 0.000 0.450 396 S N -0.614 115.074 115.700 -0.020 0.000 2.749 396 S HA 0.142 4.597 4.470 -0.025 0.000 0.246 396 S C 0.532 175.043 174.600 -0.149 0.000 1.023 396 S CA -0.580 57.575 58.200 -0.074 0.000 1.012 396 S CB 1.281 64.432 63.200 -0.083 0.000 0.942 396 S HN 0.041 nan 8.310 nan 0.000 0.531 397 V N 1.799 121.632 119.914 -0.136 0.000 3.134 397 V HA 0.190 4.294 4.120 -0.025 0.000 0.222 397 V C 0.879 176.947 176.094 -0.043 0.000 1.247 397 V CA 0.501 62.674 62.300 -0.212 0.000 1.281 397 V CB -0.023 31.487 31.823 -0.522 0.000 1.169 397 V HN 0.597 nan 8.190 nan 0.000 0.512 398 N N 0.213 118.943 118.700 0.051 0.000 2.451 398 N HA 0.150 4.875 4.740 -0.025 0.000 0.271 398 N C -0.484 175.060 175.510 0.058 0.000 1.410 398 N CA -0.202 52.906 53.050 0.096 0.000 0.884 398 N CB -0.402 38.217 38.487 0.220 0.000 1.332 398 N HN 0.378 nan 8.380 nan 0.000 0.498 399 N N 2.358 121.074 118.700 0.027 0.000 2.472 399 N HA 0.398 5.123 4.740 -0.025 0.000 0.277 399 N C -2.370 173.150 175.510 0.015 0.000 1.081 399 N CA -0.983 52.075 53.050 0.013 0.000 0.973 399 N CB 1.333 39.821 38.487 0.000 0.000 1.105 399 N HN 0.164 nan 8.380 nan 0.000 0.470 400 P HA 0.296 nan 4.420 nan 0.000 0.286 400 P C -1.121 176.194 177.300 0.025 0.000 1.292 400 P CA -0.623 62.497 63.100 0.034 0.000 0.842 400 P CB 0.927 32.656 31.700 0.048 0.000 1.207 401 V N 0.361 120.297 119.914 0.036 0.000 2.432 401 V HA 0.302 4.407 4.120 -0.025 0.000 0.275 401 V C 0.446 176.556 176.094 0.026 0.000 1.043 401 V CA 0.059 62.338 62.300 -0.034 0.000 0.925 401 V CB 0.707 32.451 31.823 -0.131 0.000 0.985 401 V HN 0.553 nan 8.190 nan 0.000 0.466 402 T N 6.496 121.057 114.554 0.012 0.000 2.794 402 T HA 0.673 5.007 4.350 -0.025 0.000 0.280 402 T C -0.269 174.495 174.700 0.108 0.000 0.987 402 T CA -0.150 61.991 62.100 0.068 0.000 0.993 402 T CB 0.955 69.854 68.868 0.050 0.000 0.939 402 T HN 0.402 nan 8.240 nan 0.000 0.449 403 I N 3.422 124.092 120.570 0.167 0.000 2.406 403 I HA 0.404 4.559 4.170 -0.025 0.000 0.290 403 I C -0.016 176.211 176.117 0.183 0.000 0.999 403 I CA -1.028 60.397 61.300 0.208 0.000 1.124 403 I CB 1.392 39.525 38.000 0.221 0.000 1.289 403 I HN 0.191 nan 8.210 nan 0.000 0.441 404 K N 6.999 127.474 120.400 0.125 0.000 2.206 404 K HA 0.616 4.921 4.320 -0.025 0.000 0.264 404 K C -0.917 175.745 176.600 0.102 0.000 0.967 404 K CA -0.498 55.833 56.287 0.073 0.000 0.844 404 K CB 2.237 34.737 32.500 -0.000 0.000 1.099 404 K HN 0.536 nan 8.250 nan 0.000 0.441 405 F N -1.917 117.991 119.950 -0.070 0.000 2.631 405 F HA 0.500 5.012 4.527 -0.024 0.000 0.308 405 F C -0.653 175.150 175.800 0.004 0.000 1.097 405 F CA -0.887 57.069 58.000 -0.075 0.000 0.952 405 F CB 1.445 40.364 39.000 -0.134 0.000 1.307 405 F HN 0.149 nan 8.300 nan 0.000 0.450 406 T N 2.421 117.020 114.554 0.076 0.000 2.795 406 T HA 0.778 5.113 4.350 -0.025 0.000 0.282 406 T C -0.420 174.365 174.700 0.142 0.000 0.980 406 T CA -0.266 61.831 62.100 -0.005 0.000 1.012 406 T CB 1.215 70.095 68.868 0.019 0.000 0.936 406 T HN 0.945 nan 8.240 nan 0.000 0.457 407 A N 2.599 125.445 122.820 0.043 0.000 2.374 407 A HA 0.816 5.121 4.320 -0.025 0.000 0.317 407 A C 0.521 178.147 177.584 0.071 0.000 1.094 407 A CA -0.892 51.230 52.037 0.141 0.000 0.765 407 A CB 0.948 20.056 19.000 0.179 0.000 1.268 407 A HN 0.827 nan 8.150 nan 0.000 0.438 408 T N -0.918 113.686 114.554 0.083 0.000 2.847 408 T HA 0.391 4.726 4.350 -0.025 0.000 0.279 408 T C 1.415 176.141 174.700 0.044 0.000 0.984 408 T CA 0.190 62.321 62.100 0.052 0.000 0.988 408 T CB 0.854 69.753 68.868 0.051 0.000 1.040 408 T HN 1.266 nan 8.240 nan 0.000 0.528 409 S N 0.310 116.028 115.700 0.029 0.000 2.419 409 S HA -0.066 4.389 4.470 -0.025 0.000 0.233 409 S C 2.198 176.815 174.600 0.028 0.000 1.016 409 S CA 0.537 58.751 58.200 0.024 0.000 0.974 409 S CB -1.050 62.160 63.200 0.016 0.000 0.786 409 S HN 1.018 nan 8.310 nan 0.000 0.492 410 A N 0.852 123.692 122.820 0.033 0.000 2.167 410 A HA 0.124 4.429 4.320 -0.025 0.000 0.214 410 A C 1.902 179.510 177.584 0.041 0.000 1.151 410 A CA 0.550 52.607 52.037 0.033 0.000 0.735 410 A CB -0.337 18.682 19.000 0.032 0.000 0.802 410 A HN 0.651 nan 8.150 nan 0.000 0.467 411 Q N -0.635 119.199 119.800 0.056 0.000 2.188 411 Q HA 0.043 4.367 4.340 -0.025 0.000 0.212 411 Q C 1.030 177.073 176.000 0.073 0.000 0.846 411 Q CA 0.562 56.409 55.803 0.073 0.000 0.989 411 Q CB 0.269 29.075 28.738 0.112 0.000 1.114 411 Q HN 0.705 nan 8.270 nan 0.000 0.488 412 T N -3.540 111.043 114.554 0.048 0.000 3.129 412 T HA 0.167 4.502 4.350 -0.025 0.000 0.251 412 T C 1.023 175.733 174.700 0.016 0.000 1.117 412 T CA 0.076 62.198 62.100 0.037 0.000 1.034 412 T CB 0.267 69.149 68.868 0.023 0.000 0.968 412 T HN 0.188 nan 8.240 nan 0.000 0.526 413 G N 1.197 110.005 108.800 0.013 0.000 2.570 413 G HA2 0.520 4.465 3.960 -0.025 0.000 0.276 413 G HA3 0.520 4.465 3.960 -0.025 0.000 0.276 413 G C 0.244 175.131 174.900 -0.022 0.000 1.346 413 G CA -0.508 44.589 45.100 -0.004 0.000 1.034 413 G HN 0.671 nan 8.290 nan 0.000 0.512 414 A N -1.282 121.517 122.820 -0.035 0.000 2.483 414 A HA 0.596 4.901 4.320 -0.025 0.000 0.238 414 A C 0.588 178.129 177.584 -0.072 0.000 1.070 414 A CA 0.848 52.849 52.037 -0.060 0.000 0.770 414 A CB 0.006 18.973 19.000 -0.056 0.000 1.008 414 A HN 2.035 nan 8.150 nan 0.000 0.497 415 A N 1.081 123.832 122.820 -0.114 0.000 2.593 415 A HA 0.816 5.121 4.320 -0.025 0.000 0.290 415 A C -0.347 177.070 177.584 -0.278 0.000 1.126 415 A CA -0.450 51.475 52.037 -0.186 0.000 0.695 415 A CB 1.125 20.032 19.000 -0.154 0.000 1.290 415 A HN 0.925 nan 8.150 nan 0.000 0.414 416 T N 1.329 115.562 114.554 -0.536 0.000 2.809 416 T HA 0.492 4.827 4.350 -0.025 0.000 0.284 416 T C -0.905 173.428 174.700 -0.612 0.000 0.992 416 T CA -0.185 61.547 62.100 -0.613 0.000 0.957 416 T CB 0.945 69.269 68.868 -0.906 0.000 0.942 416 T HN 0.667 nan 8.240 nan 0.000 0.439 417 L N 4.119 125.177 121.223 -0.275 0.000 2.260 417 L HA 0.548 4.872 4.340 -0.025 0.000 0.289 417 L C 0.199 177.057 176.870 -0.020 0.000 1.057 417 L CA -0.301 54.449 54.840 -0.150 0.000 0.811 417 L CB 0.408 42.456 42.059 -0.017 0.000 1.184 417 L HN 0.536 nan 8.230 nan 0.000 0.429 418 R N 5.825 126.373 120.500 0.079 0.000 2.265 418 R HA 0.557 4.881 4.340 -0.025 0.000 0.328 418 R C -1.234 175.258 176.300 0.320 0.000 0.969 418 R CA -0.466 55.793 56.100 0.264 0.000 0.832 418 R CB 0.647 31.233 30.300 0.476 0.000 1.139 418 R HN 0.767 nan 8.270 nan 0.000 0.457 419 I N 4.558 125.315 120.570 0.312 0.000 2.347 419 I HA 0.292 4.447 4.170 -0.025 0.000 0.283 419 I C 0.593 176.920 176.117 0.351 0.000 1.058 419 I CA -0.613 60.885 61.300 0.330 0.000 1.202 419 I CB 1.745 39.912 38.000 0.279 0.000 1.386 419 I HN 0.705 nan 8.210 nan 0.000 0.475 420 G N 3.843 112.888 108.800 0.408 0.000 2.353 420 G HA2 0.529 4.474 3.960 -0.025 0.000 0.284 420 G HA3 0.529 4.474 3.960 -0.025 0.000 0.284 420 G C 0.027 175.066 174.900 0.231 0.000 1.172 420 G CA -0.122 45.240 45.100 0.436 0.000 0.854 420 G HN 0.518 nan 8.290 nan 0.000 0.485 421 T N -1.635 113.013 114.554 0.158 0.000 2.910 421 T HA 0.685 5.020 4.350 -0.025 0.000 0.287 421 T C 1.127 175.880 174.700 0.089 0.000 1.050 421 T CA 0.279 62.416 62.100 0.061 0.000 1.011 421 T CB 1.901 70.732 68.868 -0.061 0.000 1.195 421 T HN 0.659 nan 8.240 nan 0.000 0.540 422 T N -1.477 113.118 114.554 0.068 0.000 3.058 422 T HA 0.411 4.746 4.350 -0.025 0.000 0.247 422 T C 0.044 174.777 174.700 0.054 0.000 0.987 422 T CA -0.047 62.102 62.100 0.082 0.000 1.062 422 T CB -0.072 68.874 68.868 0.130 0.000 1.048 422 T HN 0.653 nan 8.240 nan 0.000 0.468 423 L N 2.098 123.353 121.223 0.054 0.000 2.513 423 L HA 0.725 5.049 4.340 -0.025 0.000 0.261 423 L C -0.836 176.074 176.870 0.067 0.000 0.945 423 L CA -0.497 54.368 54.840 0.041 0.000 0.848 423 L CB 2.234 44.305 42.059 0.021 0.000 1.334 423 L HN 0.422 nan 8.230 nan 0.000 0.407 424 S N 3.228 118.971 115.700 0.072 0.000 2.681 424 S HA 0.847 5.302 4.470 -0.025 0.000 0.299 424 S C -0.812 173.875 174.600 0.145 0.000 1.113 424 S CA -0.492 57.770 58.200 0.103 0.000 1.013 424 S CB 1.607 64.850 63.200 0.070 0.000 1.076 424 S HN 0.624 nan 8.310 nan 0.000 0.534 425 F N 1.001 120.933 119.950 -0.031 0.000 2.581 425 F HA 0.612 5.123 4.527 -0.026 0.000 0.311 425 F C 0.255 176.039 175.800 -0.026 0.000 1.113 425 F CA 0.258 58.237 58.000 -0.036 0.000 0.935 425 F CB 1.631 40.605 39.000 -0.043 0.000 1.232 425 F HN 1.291 nan 8.300 nan 0.000 0.445 426 A N 3.629 126.022 122.820 -0.712 0.000 2.745 426 A HA 0.144 4.449 4.320 -0.025 0.000 0.296 426 A C 1.523 178.996 177.584 -0.184 0.000 1.500 426 A CA 1.535 53.280 52.037 -0.487 0.000 0.766 426 A CB -2.240 16.511 19.000 -0.415 0.000 1.030 426 A HN 2.738 nan 8.150 nan 0.000 0.489 427 G N -2.472 106.245 108.800 -0.137 0.000 2.162 427 G HA2 0.117 4.062 3.960 -0.025 0.000 0.260 427 G HA3 0.117 4.062 3.960 -0.025 0.000 0.260 427 G C 1.520 176.404 174.900 -0.027 0.000 0.976 427 G CA 0.911 45.969 45.100 -0.069 0.000 0.655 427 G HN 2.599 nan 8.290 nan 0.000 0.533 428 G N 0.432 109.238 108.800 0.008 0.000 2.313 428 G HA2 0.548 4.492 3.960 -0.025 0.000 0.250 428 G HA3 0.548 4.492 3.960 -0.025 0.000 0.250 428 G C 0.350 175.288 174.900 0.064 0.000 1.281 428 G CA 0.711 45.853 45.100 0.069 0.000 0.917 428 G HN 1.178 nan 8.290 nan 0.000 0.501 429 R N 2.316 122.806 120.500 -0.017 0.000 2.710 429 R HA 0.484 4.809 4.340 -0.025 0.000 0.270 429 R C -3.514 172.575 176.300 -0.351 0.000 1.021 429 R CA -2.150 53.704 56.100 -0.411 0.000 0.889 429 R CB 1.223 31.214 30.300 -0.515 0.000 1.243 429 R HN 0.314 nan 8.270 nan 0.000 0.464 430 P HA 0.211 nan 4.420 nan 0.000 0.284 430 P C -1.153 176.024 177.300 -0.205 0.000 1.253 430 P CA -0.293 62.653 63.100 -0.258 0.000 0.800 430 P CB 1.227 32.733 31.700 -0.323 0.000 0.961 431 Q N 1.689 121.463 119.800 -0.043 0.000 2.330 431 Q HA 0.637 4.961 4.340 -0.025 0.000 0.269 431 Q C -1.387 174.637 176.000 0.041 0.000 1.022 431 Q CA -0.858 54.934 55.803 -0.020 0.000 0.796 431 Q CB 1.675 30.399 28.738 -0.023 0.000 1.271 431 Q HN 0.543 nan 8.270 nan 0.000 0.450 432 A N 2.813 125.665 122.820 0.055 0.000 2.317 432 A HA 0.722 5.027 4.320 -0.025 0.000 0.327 432 A C -0.724 176.910 177.584 0.083 0.000 1.178 432 A CA -0.413 51.685 52.037 0.102 0.000 0.817 432 A CB 1.562 20.646 19.000 0.140 0.000 1.189 432 A HN 0.674 nan 8.150 nan 0.000 0.489 433 T N 2.262 116.879 114.554 0.105 0.000 2.792 433 T HA 0.565 4.900 4.350 -0.025 0.000 0.280 433 T C -0.669 174.130 174.700 0.164 0.000 0.990 433 T CA 0.063 62.223 62.100 0.100 0.000 0.960 433 T CB 0.601 69.509 68.868 0.066 0.000 0.939 433 T HN 0.381 nan 8.240 nan 0.000 0.439 434 I N 4.586 125.283 120.570 0.211 0.000 2.382 434 I HA 0.345 4.499 4.170 -0.025 0.000 0.285 434 I C 0.718 176.958 176.117 0.206 0.000 1.007 434 I CA -0.383 61.062 61.300 0.242 0.000 1.142 434 I CB 0.874 39.042 38.000 0.280 0.000 1.289 434 I HN 0.558 nan 8.210 nan 0.000 0.453 435 N N 3.445 122.235 118.700 0.151 0.000 1.518 435 N HA -0.310 4.415 4.740 -0.025 0.000 0.146 435 N C 1.040 176.611 175.510 0.102 0.000 0.621 435 N CA 2.083 55.193 53.050 0.101 0.000 1.108 435 N CB -1.051 37.484 38.487 0.079 0.000 1.310 435 N HN 0.733 nan 8.380 nan 0.000 0.457 436 S N -0.231 115.536 115.700 0.111 0.000 2.561 436 S HA 0.292 4.747 4.470 -0.025 0.000 0.245 436 S C -0.384 174.306 174.600 0.151 0.000 1.001 436 S CA -0.399 57.861 58.200 0.101 0.000 1.002 436 S CB -0.269 62.974 63.200 0.073 0.000 0.805 436 S HN 0.502 nan 8.310 nan 0.000 0.458 437 Y N 1.875 122.199 120.300 0.040 0.000 2.328 437 Y HA 0.548 5.082 4.550 -0.026 0.000 0.336 437 Y C -0.691 175.235 175.900 0.043 0.000 0.960 437 Y CA -0.424 57.699 58.100 0.038 0.000 1.134 437 Y CB 1.713 40.197 38.460 0.040 0.000 1.166 437 Y HN 0.116 nan 8.280 nan 0.000 0.464 438 T N 5.794 120.030 114.554 -0.530 0.000 2.756 438 T HA 0.459 4.794 4.350 -0.025 0.000 0.290 438 T C 0.402 174.774 174.700 -0.546 0.000 0.985 438 T CA -0.395 61.481 62.100 -0.372 0.000 0.955 438 T CB 0.863 69.609 68.868 -0.202 0.000 0.930 438 T HN 0.957 nan 8.240 nan 0.000 0.451 439 G N 2.346 110.982 108.800 -0.274 0.000 2.636 439 G HA2 0.361 4.306 3.960 -0.025 0.000 0.246 439 G HA3 0.361 4.306 3.960 -0.025 0.000 0.246 439 G C 0.150 174.988 174.900 -0.102 0.000 1.216 439 G CA -0.571 44.446 45.100 -0.138 0.000 0.854 439 G HN 0.667 nan 8.290 nan 0.000 0.572 440 S N -0.558 115.113 115.700 -0.048 0.000 2.584 440 S HA 0.410 4.864 4.470 -0.025 0.000 0.270 440 S C 0.732 175.320 174.600 -0.021 0.000 1.346 440 S CA 0.074 58.255 58.200 -0.032 0.000 1.018 440 S CB 1.202 64.400 63.200 -0.003 0.000 0.899 440 S HN 1.015 nan 8.310 nan 0.000 0.542 441 A N 3.467 126.273 122.820 -0.024 0.000 2.310 441 A HA 0.523 4.827 4.320 -0.025 0.000 0.300 441 A C -2.218 175.359 177.584 -0.011 0.000 1.269 441 A CA -1.377 50.645 52.037 -0.026 0.000 0.909 441 A CB -0.640 18.343 19.000 -0.028 0.000 1.144 441 A HN 0.500 nan 8.150 nan 0.000 0.540 442 P HA 0.379 nan 4.420 nan 0.000 0.272 442 P C 0.271 177.584 177.300 0.022 0.000 1.223 442 P CA -0.145 62.980 63.100 0.041 0.000 0.784 442 P CB 0.738 32.504 31.700 0.109 0.000 0.923 443 A N 2.002 124.846 122.820 0.041 0.000 2.386 443 A HA 0.471 4.775 4.320 -0.025 0.000 0.246 443 A C 0.493 178.094 177.584 0.028 0.000 1.089 443 A CA 0.020 52.070 52.037 0.022 0.000 0.790 443 A CB -0.524 18.486 19.000 0.017 0.000 1.042 443 A HN 0.650 nan 8.150 nan 0.000 0.497 444 A N 2.125 124.948 122.820 0.004 0.000 2.511 444 A HA 0.503 4.808 4.320 -0.025 0.000 0.242 444 A C -1.467 176.126 177.584 0.015 0.000 1.069 444 A CA -0.683 51.353 52.037 -0.002 0.000 0.763 444 A CB -0.728 18.258 19.000 -0.022 0.000 1.001 444 A HN 0.741 nan 8.150 nan 0.000 0.498 445 P HA 0.216 nan 4.420 nan 0.000 0.275 445 P C -0.192 177.101 177.300 -0.011 0.000 1.266 445 P CA -0.323 62.793 63.100 0.026 0.000 0.793 445 P CB 0.092 31.824 31.700 0.055 0.000 1.074 446 T N 1.874 116.416 114.554 -0.020 0.000 2.902 446 T HA 0.021 4.356 4.350 -0.025 0.000 0.301 446 T C 0.619 175.294 174.700 -0.041 0.000 1.012 446 T CA 0.185 62.266 62.100 -0.033 0.000 1.151 446 T CB -0.641 68.206 68.868 -0.035 0.000 0.946 446 T HN 0.324 nan 8.240 nan 0.000 0.542 447 N N 2.961 121.628 118.700 -0.055 0.000 2.411 447 N HA 0.120 4.845 4.740 -0.025 0.000 0.259 447 N C 0.750 176.221 175.510 -0.065 0.000 1.103 447 N CA -0.293 52.711 53.050 -0.076 0.000 0.954 447 N CB 0.453 38.882 38.487 -0.096 0.000 1.085 447 N HN 0.550 nan 8.380 nan 0.000 0.485 448 L N 1.837 123.027 121.223 -0.056 0.000 2.599 448 L HA 0.061 4.386 4.340 -0.025 0.000 0.230 448 L C -0.041 176.810 176.870 -0.033 0.000 1.141 448 L CA 0.108 54.925 54.840 -0.037 0.000 0.877 448 L CB -0.217 41.832 42.059 -0.018 0.000 1.009 448 L HN 0.515 nan 8.230 nan 0.000 0.447 449 D N 1.208 121.573 120.400 -0.058 0.000 2.772 449 D HA -0.159 4.466 4.640 -0.025 0.000 0.233 449 D C 0.278 176.579 176.300 0.002 0.000 1.143 449 D CA 1.236 55.206 54.000 -0.050 0.000 0.700 449 D CB -1.070 39.707 40.800 -0.038 0.000 1.076 449 D HN 0.545 nan 8.370 nan 0.000 0.430 450 S N -1.771 113.957 115.700 0.046 0.000 2.565 450 S HA 0.607 5.062 4.470 -0.025 0.000 0.269 450 S C -0.218 174.518 174.600 0.226 0.000 1.153 450 S CA -1.098 57.158 58.200 0.095 0.000 0.835 450 S CB 2.421 65.641 63.200 0.034 0.000 1.122 450 S HN 0.137 nan 8.310 nan 0.000 0.462 451 R N 0.123 120.709 120.500 0.143 0.000 2.679 451 R HA 0.554 4.879 4.340 -0.025 0.000 0.269 451 R C 1.221 177.423 176.300 -0.162 0.000 1.076 451 R CA 0.613 56.688 56.100 -0.041 0.000 1.160 451 R CB 0.450 30.622 30.300 -0.213 0.000 1.054 451 R HN 0.921 nan 8.270 nan 0.000 0.507 452 G N -0.431 108.236 108.800 -0.222 0.000 3.361 452 G HA2 -0.117 3.827 3.960 -0.025 0.000 0.200 452 G HA3 -0.117 3.827 3.960 -0.025 0.000 0.200 452 G C 0.681 175.479 174.900 -0.169 0.000 1.355 452 G CA 0.055 45.044 45.100 -0.185 0.000 0.798 452 G HN 0.402 nan 8.290 nan 0.000 0.803 453 V N 2.700 122.517 119.914 -0.161 0.000 2.594 453 V HA -0.066 4.039 4.120 -0.025 0.000 0.253 453 V C 2.849 178.854 176.094 -0.148 0.000 1.069 453 V CA 3.284 65.517 62.300 -0.112 0.000 1.082 453 V CB -0.386 31.374 31.823 -0.105 0.000 0.680 453 V HN 0.609 nan 8.190 nan 0.000 0.469 454 T N -2.937 111.480 114.554 -0.228 0.000 3.107 454 T HA 0.113 4.448 4.350 -0.025 0.000 0.249 454 T C 1.254 175.939 174.700 -0.026 0.000 1.096 454 T CA 0.117 62.065 62.100 -0.253 0.000 1.012 454 T CB -0.182 68.547 68.868 -0.231 0.000 0.977 454 T HN 0.550 nan 8.240 nan 0.000 0.527 455 R N 0.545 120.993 120.500 -0.086 0.000 2.690 455 R HA 0.439 4.764 4.340 -0.025 0.000 0.419 455 R C 1.100 177.458 176.300 0.097 0.000 1.090 455 R CA -0.034 55.998 56.100 -0.113 0.000 1.064 455 R CB 0.518 30.371 30.300 -0.746 0.000 1.391 455 R HN 0.391 nan 8.270 nan 0.000 0.586 456 G N 0.796 109.729 108.800 0.222 0.000 2.153 456 G HA2 -0.320 3.625 3.960 -0.025 0.000 0.252 456 G HA3 -0.320 3.625 3.960 -0.025 0.000 0.252 456 G C 0.074 175.026 174.900 0.087 0.000 0.994 456 G CA 0.380 45.588 45.100 0.180 0.000 0.698 456 G HN 0.555 nan 8.290 nan 0.000 0.521 457 A N -0.963 121.865 122.820 0.012 0.000 2.350 457 A HA 0.985 5.290 4.320 -0.025 0.000 0.318 457 A C 0.023 177.611 177.584 0.005 0.000 1.132 457 A CA 0.045 52.035 52.037 -0.077 0.000 0.811 457 A CB 1.040 19.919 19.000 -0.201 0.000 1.313 457 A HN 1.561 nan 8.150 nan 0.000 0.454 458 Y N -1.469 118.774 120.300 -0.095 0.000 2.673 458 Y HA 0.405 4.939 4.550 -0.025 0.000 0.289 458 Y C 0.498 176.352 175.900 -0.076 0.000 0.975 458 Y CA -0.361 57.691 58.100 -0.080 0.000 1.163 458 Y CB -0.013 38.402 38.460 -0.074 0.000 1.425 458 Y HN 0.472 nan 8.280 nan 0.000 0.588 459 R N 3.054 123.141 120.500 -0.687 0.000 2.429 459 R HA 0.548 4.873 4.340 -0.025 0.000 0.302 459 R C 0.261 176.448 176.300 -0.189 0.000 1.268 459 R CA 0.500 56.349 56.100 -0.417 0.000 1.090 459 R CB -0.091 29.895 30.300 -0.524 0.000 1.102 459 R HN 0.552 nan 8.270 nan 0.000 0.522 460 G N 1.744 110.496 108.800 -0.079 0.000 2.940 460 G HA2 0.206 4.151 3.960 -0.025 0.000 0.164 460 G HA3 0.206 4.151 3.960 -0.025 0.000 0.164 460 G C 0.278 175.163 174.900 -0.026 0.000 1.326 460 G CA -0.700 44.374 45.100 -0.043 0.000 1.020 460 G HN 0.475 nan 8.290 nan 0.000 0.586 461 L N 0.939 122.150 121.223 -0.020 0.000 2.554 461 L HA 0.208 4.533 4.340 -0.025 0.000 0.226 461 L C 1.837 178.689 176.870 -0.030 0.000 1.137 461 L CA 0.627 55.451 54.840 -0.027 0.000 0.863 461 L CB -0.416 41.621 42.059 -0.036 0.000 0.985 461 L HN 0.817 nan 8.230 nan 0.000 0.451 462 G N 1.217 110.011 108.800 -0.009 0.000 2.338 462 G HA2 -0.276 3.669 3.960 -0.025 0.000 0.296 462 G HA3 -0.276 3.669 3.960 -0.025 0.000 0.296 462 G C -0.080 174.800 174.900 -0.034 0.000 1.040 462 G CA -0.046 45.059 45.100 0.008 0.000 1.004 462 G HN 0.385 nan 8.290 nan 0.000 0.509 463 E N -1.112 119.045 120.200 -0.073 0.000 2.414 463 E HA 0.406 4.740 4.350 -0.025 0.000 0.263 463 E C 0.576 177.011 176.600 -0.275 0.000 1.000 463 E CA 0.091 56.351 56.400 -0.234 0.000 0.914 463 E CB 1.162 30.707 29.700 -0.258 0.000 0.948 463 E HN 0.281 nan 8.360 nan 0.000 0.444 464 V N 4.115 123.784 119.914 -0.408 0.000 2.495 464 V HA 0.323 4.427 4.120 -0.025 0.000 0.298 464 V C -1.093 174.735 176.094 -0.443 0.000 1.031 464 V CA -0.830 61.339 62.300 -0.218 0.000 0.871 464 V CB 0.744 32.546 31.823 -0.034 0.000 0.988 464 V HN 0.555 nan 8.190 nan 0.000 0.432 465 Y N 1.748 122.055 120.300 0.011 0.000 2.345 465 Y HA 0.539 5.074 4.550 -0.026 0.000 0.331 465 Y C -0.104 175.820 175.900 0.039 0.000 0.959 465 Y CA -0.946 57.149 58.100 -0.008 0.000 1.204 465 Y CB 1.316 39.733 38.460 -0.071 0.000 1.135 465 Y HN 0.550 nan 8.280 nan 0.000 0.477 466 D N 2.566 123.047 120.400 0.135 0.000 2.177 466 D HA 0.488 5.112 4.640 -0.025 0.000 0.247 466 D C -0.886 175.466 176.300 0.087 0.000 1.063 466 D CA -0.226 53.833 54.000 0.099 0.000 0.867 466 D CB 2.171 43.008 40.800 0.062 0.000 1.168 466 D HN 0.179 nan 8.370 nan 0.000 0.445 467 V N 1.980 121.932 119.914 0.064 0.000 2.378 467 V HA 0.255 4.360 4.120 -0.025 0.000 0.288 467 V C 0.129 176.243 176.094 0.034 0.000 1.016 467 V CA -0.786 61.560 62.300 0.077 0.000 0.840 467 V CB 1.700 33.591 31.823 0.113 0.000 0.994 467 V HN 0.442 nan 8.190 nan 0.000 0.431 468 S N 6.018 121.748 115.700 0.050 0.000 2.481 468 S HA 0.510 4.964 4.470 -0.025 0.000 0.276 468 S C -0.102 174.498 174.600 -0.000 0.000 1.247 468 S CA -0.140 58.060 58.200 0.001 0.000 1.053 468 S CB 0.095 63.303 63.200 0.012 0.000 0.925 468 S HN 0.522 nan 8.310 nan 0.000 0.491 469 I N 5.970 126.485 120.570 -0.091 0.000 2.330 469 I HA 0.308 4.463 4.170 -0.025 0.000 0.289 469 I C -2.278 173.704 176.117 -0.224 0.000 1.001 469 I CA -2.535 58.656 61.300 -0.182 0.000 1.193 469 I CB 1.418 39.360 38.000 -0.097 0.000 1.345 469 I HN 0.320 nan 8.210 nan 0.000 0.461 470 P HA 0.039 nan 4.420 nan 0.000 0.272 470 P C -0.162 177.041 177.300 -0.162 0.000 1.223 470 P CA -0.311 62.647 63.100 -0.237 0.000 0.784 470 P CB 0.688 32.211 31.700 -0.294 0.000 0.923 471 S N 1.445 117.087 115.700 -0.098 0.000 2.558 471 S HA 0.291 4.746 4.470 -0.025 0.000 0.293 471 S C 1.481 176.047 174.600 -0.057 0.000 1.292 471 S CA 1.152 59.316 58.200 -0.061 0.000 1.063 471 S CB -1.276 61.900 63.200 -0.039 0.000 0.831 471 S HN 0.899 nan 8.310 nan 0.000 0.499 472 G N 3.527 112.306 108.800 -0.036 0.000 2.179 472 G HA2 -0.254 3.691 3.960 -0.025 0.000 0.260 472 G HA3 -0.254 3.691 3.960 -0.025 0.000 0.260 472 G C 0.782 175.665 174.900 -0.028 0.000 0.977 472 G CA 0.702 45.786 45.100 -0.025 0.000 0.641 472 G HN 0.747 nan 8.290 nan 0.000 0.533 473 T N 0.433 114.956 114.554 -0.051 0.000 2.939 473 T HA 0.302 4.636 4.350 -0.025 0.000 0.254 473 T C 1.417 176.125 174.700 0.014 0.000 1.041 473 T CA 0.733 62.808 62.100 -0.041 0.000 1.142 473 T CB 0.119 68.902 68.868 -0.142 0.000 0.874 473 T HN 0.407 nan 8.240 nan 0.000 0.452 474 I N 3.175 123.765 120.570 0.033 0.000 2.588 474 I HA 0.199 4.354 4.170 -0.025 0.000 0.283 474 I C 0.064 176.199 176.117 0.029 0.000 1.119 474 I CA -0.497 60.848 61.300 0.076 0.000 1.419 474 I CB 0.774 38.865 38.000 0.152 0.000 1.394 474 I HN 0.002 nan 8.210 nan 0.000 0.562 475 V N 3.267 123.179 119.914 -0.004 0.000 2.919 475 V HA 0.805 4.910 4.120 -0.025 0.000 0.316 475 V C 0.212 176.289 176.094 -0.029 0.000 1.077 475 V CA -1.088 61.201 62.300 -0.018 0.000 0.977 475 V CB 1.579 33.385 31.823 -0.029 0.000 1.039 475 V HN 0.794 nan 8.190 nan 0.000 0.441 476 A N 2.012 124.823 122.820 -0.016 0.000 2.492 476 A HA 0.703 5.008 4.320 -0.025 0.000 0.254 476 A C 1.131 178.692 177.584 -0.037 0.000 1.091 476 A CA 0.886 52.915 52.037 -0.014 0.000 0.768 476 A CB -0.781 18.217 19.000 -0.004 0.000 1.028 476 A HN 2.884 nan 8.150 nan 0.000 0.498 477 G N 1.486 110.258 108.800 -0.047 0.000 2.445 477 G HA2 -0.005 3.939 3.960 -0.025 0.000 0.212 477 G HA3 -0.005 3.939 3.960 -0.025 0.000 0.212 477 G C -0.007 174.815 174.900 -0.128 0.000 1.217 477 G CA -0.214 44.846 45.100 -0.066 0.000 1.002 477 G HN 1.269 nan 8.290 nan 0.000 0.574 478 T N 1.899 116.373 114.554 -0.133 0.000 2.884 478 T HA 0.559 4.894 4.350 -0.025 0.000 0.298 478 T C 0.242 174.780 174.700 -0.270 0.000 0.998 478 T CA 0.443 62.428 62.100 -0.193 0.000 1.124 478 T CB 0.706 69.501 68.868 -0.122 0.000 0.931 478 T HN 0.666 nan 8.240 nan 0.000 0.531 479 N N 0.746 119.159 118.700 -0.480 0.000 2.312 479 N HA 0.623 5.348 4.740 -0.025 0.000 0.296 479 N C -1.080 174.270 175.510 -0.267 0.000 1.193 479 N CA -0.787 51.973 53.050 -0.485 0.000 0.773 479 N CB 1.813 39.726 38.487 -0.957 0.000 1.435 479 N HN 0.403 nan 8.380 nan 0.000 0.484 480 T N 0.787 115.314 114.554 -0.045 0.000 2.841 480 T HA 0.538 4.873 4.350 -0.025 0.000 0.285 480 T C -0.526 174.292 174.700 0.197 0.000 0.991 480 T CA -0.366 61.783 62.100 0.082 0.000 0.966 480 T CB 0.430 69.327 68.868 0.048 0.000 0.962 480 T HN 0.247 nan 8.240 nan 0.000 0.438 481 I N 2.777 123.507 120.570 0.266 0.000 2.378 481 I HA 0.383 4.538 4.170 -0.025 0.000 0.291 481 I C 0.043 176.283 176.117 0.204 0.000 0.992 481 I CA -0.623 60.842 61.300 0.275 0.000 1.154 481 I CB 1.887 40.107 38.000 0.366 0.000 1.315 481 I HN 0.500 nan 8.210 nan 0.000 0.448 482 T N 7.094 121.751 114.554 0.172 0.000 2.770 482 T HA 0.560 4.895 4.350 -0.025 0.000 0.283 482 T C -0.119 174.675 174.700 0.158 0.000 0.988 482 T CA -0.305 61.879 62.100 0.140 0.000 0.957 482 T CB 0.911 69.838 68.868 0.098 0.000 0.930 482 T HN 0.270 nan 8.240 nan 0.000 0.443 483 I N 3.981 124.660 120.570 0.182 0.000 2.330 483 I HA 0.314 4.469 4.170 -0.025 0.000 0.286 483 I C -0.002 176.223 176.117 0.179 0.000 1.025 483 I CA -0.686 60.752 61.300 0.229 0.000 1.197 483 I CB 0.746 38.978 38.000 0.387 0.000 1.358 483 I HN 0.511 nan 8.210 nan 0.000 0.467 484 N N 4.563 123.341 118.700 0.131 0.000 2.456 484 N HA 0.332 5.057 4.740 -0.025 0.000 0.288 484 N C -0.665 174.907 175.510 0.103 0.000 1.059 484 N CA -0.410 52.691 53.050 0.086 0.000 0.946 484 N CB 2.402 40.919 38.487 0.050 0.000 1.150 484 N HN 0.307 nan 8.380 nan 0.000 0.479 485 V N 4.864 124.820 119.914 0.069 0.000 2.461 485 V HA 0.451 4.556 4.120 -0.025 0.000 0.275 485 V C -0.204 175.910 176.094 0.033 0.000 1.047 485 V CA -0.339 62.013 62.300 0.087 0.000 0.955 485 V CB -0.257 31.547 31.823 -0.032 0.000 0.988 485 V HN 0.569 nan 8.190 nan 0.000 0.471 486 I N 4.405 124.987 120.570 0.020 0.000 2.648 486 I HA 0.958 5.112 4.170 -0.025 0.000 0.304 486 I C -0.353 175.755 176.117 -0.014 0.000 1.009 486 I CA -0.332 60.963 61.300 -0.007 0.000 1.114 486 I CB 2.138 40.124 38.000 -0.023 0.000 1.293 486 I HN 0.722 nan 8.210 nan 0.000 0.449 487 S N 2.126 117.816 115.700 -0.017 0.000 2.678 487 S HA 0.404 4.859 4.470 -0.025 0.000 0.290 487 S C 0.273 174.859 174.600 -0.023 0.000 1.047 487 S CA -0.129 58.057 58.200 -0.023 0.000 0.851 487 S CB 0.831 64.018 63.200 -0.022 0.000 1.058 487 S HN 1.172 nan 8.310 nan 0.000 0.451 488 G N 1.522 110.305 108.800 -0.028 0.000 2.650 488 G HA2 0.193 4.138 3.960 -0.025 0.000 0.214 488 G HA3 0.193 4.138 3.960 -0.025 0.000 0.214 488 G C 0.454 175.336 174.900 -0.029 0.000 1.136 488 G CA 0.480 45.564 45.100 -0.027 0.000 0.789 488 G HN 0.712 nan 8.290 nan 0.000 0.536 489 S N -0.516 115.163 115.700 -0.036 0.000 2.652 489 S HA 0.655 5.110 4.470 -0.025 0.000 0.270 489 S C 0.008 174.596 174.600 -0.021 0.000 1.243 489 S CA -0.391 57.785 58.200 -0.039 0.000 0.999 489 S CB 1.629 64.789 63.200 -0.067 0.000 0.973 489 S HN 0.176 nan 8.310 nan 0.000 0.544 490 S N -0.597 115.094 115.700 -0.015 0.000 2.595 490 S HA 0.921 5.375 4.470 -0.025 0.000 0.281 490 S C -0.175 174.435 174.600 0.017 0.000 1.117 490 S CA -0.722 57.477 58.200 -0.001 0.000 0.873 490 S CB 2.020 65.215 63.200 -0.009 0.000 1.108 490 S HN 1.019 nan 8.310 nan 0.000 0.477 491 G N 0.525 109.338 108.800 0.022 0.000 2.601 491 G HA2 0.492 4.436 3.960 -0.025 0.000 0.291 491 G HA3 0.492 4.436 3.960 -0.025 0.000 0.291 491 G C -2.329 172.565 174.900 -0.009 0.000 1.456 491 G CA -0.746 44.375 45.100 0.035 0.000 0.804 491 G HN 0.504 nan 8.290 nan 0.000 0.499 492 D N 1.615 122.002 120.400 -0.022 0.000 2.351 492 D HA 0.427 5.052 4.640 -0.025 0.000 0.251 492 D C 1.744 177.960 176.300 -0.139 0.000 1.137 492 D CA 0.986 54.943 54.000 -0.071 0.000 0.879 492 D CB 1.485 42.252 40.800 -0.055 0.000 1.181 492 D HN 0.906 nan 8.370 nan 0.000 0.448 493 T N 1.059 115.465 114.554 -0.247 0.000 12.544 493 T HA -0.411 3.924 4.350 -0.025 0.000 0.384 493 T C 1.435 175.751 174.700 -0.639 0.000 1.479 493 T CA 1.455 63.233 62.100 -0.536 0.000 2.168 493 T CB -1.383 67.097 68.868 -0.647 0.000 2.571 493 T HN 0.450 nan 8.240 nan 0.000 0.480 494 Y N 2.184 122.236 120.300 -0.414 0.000 2.583 494 Y HA 0.458 4.993 4.550 -0.025 0.000 0.293 494 Y C 2.348 178.099 175.900 -0.247 0.000 1.157 494 Y CA 0.346 58.071 58.100 -0.626 0.000 1.315 494 Y CB -0.265 37.741 38.460 -0.758 0.000 1.021 494 Y HN 0.339 nan 8.280 nan 0.000 0.536 495 L N -0.394 120.796 121.223 -0.055 0.000 2.607 495 L HA 0.117 4.442 4.340 -0.025 0.000 0.228 495 L C 1.004 178.004 176.870 0.216 0.000 1.123 495 L CA -0.217 54.641 54.840 0.029 0.000 0.890 495 L CB -0.275 41.819 42.059 0.058 0.000 1.103 495 L HN 0.092 nan 8.230 nan 0.000 0.468 496 S N -0.288 115.482 115.700 0.116 0.000 2.584 496 S HA 0.261 4.716 4.470 -0.025 0.000 0.270 496 S C -2.413 172.326 174.600 0.232 0.000 1.346 496 S CA -1.241 57.037 58.200 0.130 0.000 1.018 496 S CB 0.251 63.472 63.200 0.035 0.000 0.899 496 S HN -0.118 nan 8.310 nan 0.000 0.542 497 P HA 0.127 nan 4.420 nan 0.000 0.264 497 P C -0.360 176.978 177.300 0.064 0.000 1.183 497 P CA 0.209 63.387 63.100 0.129 0.000 0.763 497 P CB 0.144 31.867 31.700 0.039 0.000 0.807 498 N N 1.560 120.278 118.700 0.031 0.000 2.927 498 N HA 0.532 5.256 4.740 -0.025 0.000 0.248 498 N C -1.550 173.862 175.510 -0.163 0.000 1.443 498 N CA -0.722 52.172 53.050 -0.261 0.000 0.870 498 N CB 1.777 39.891 38.487 -0.622 0.000 1.444 498 N HN 0.252 nan 8.380 nan 0.000 0.519 499 F N -1.538 118.183 119.950 -0.382 0.000 2.645 499 F HA 0.708 5.219 4.527 -0.026 0.000 0.310 499 F C -1.451 174.083 175.800 -0.443 0.000 1.102 499 F CA -1.184 56.609 58.000 -0.345 0.000 0.952 499 F CB 1.004 39.819 39.000 -0.308 0.000 1.326 499 F HN 0.321 nan 8.300 nan 0.000 0.456 500 I N 2.689 123.213 120.570 -0.078 0.000 2.353 500 I HA 0.313 4.468 4.170 -0.025 0.000 0.293 500 I C -0.734 175.355 176.117 -0.046 0.000 0.992 500 I CA -0.574 60.661 61.300 -0.109 0.000 1.268 500 I CB 1.070 39.049 38.000 -0.036 0.000 1.387 500 I HN 0.470 nan 8.210 nan 0.000 0.478 501 F N 4.180 124.080 119.950 -0.083 0.000 2.429 501 F HA 0.045 4.556 4.527 -0.026 0.000 0.348 501 F C 1.212 176.759 175.800 -0.422 0.000 1.109 501 F CA 0.268 58.156 58.000 -0.187 0.000 1.232 501 F CB 0.615 39.407 39.000 -0.347 0.000 1.157 501 F HN 0.530 nan 8.300 nan 0.000 0.564 502 D N 0.600 120.968 120.400 -0.053 0.000 2.652 502 D HA 0.052 4.677 4.640 -0.025 0.000 0.261 502 D C -0.654 175.531 176.300 -0.192 0.000 1.024 502 D CA 0.709 54.645 54.000 -0.106 0.000 0.958 502 D CB 0.642 41.490 40.800 0.080 0.000 1.113 502 D HN 0.419 nan 8.370 nan 0.000 0.471 503 C N 0.305 119.433 119.300 -0.287 0.000 3.181 503 C HA 0.634 5.079 4.460 -0.025 0.000 0.362 503 C C -1.670 173.102 174.990 -0.363 0.000 1.125 503 C CA -0.642 58.026 59.018 -0.583 0.000 1.265 503 C CB 0.793 27.501 27.740 -1.721 0.000 1.632 503 C HN 0.019 nan 8.230 nan 0.000 0.525 504 V N 4.762 124.525 119.914 -0.251 0.000 2.407 504 V HA 0.604 4.709 4.120 -0.025 0.000 0.291 504 V C -0.265 175.791 176.094 -0.064 0.000 1.018 504 V CA -0.186 62.084 62.300 -0.050 0.000 0.842 504 V CB 1.446 33.254 31.823 -0.026 0.000 0.996 504 V HN 0.849 nan 8.190 nan 0.000 0.426 505 E N 3.751 123.967 120.200 0.028 0.000 2.256 505 E HA 0.584 4.919 4.350 -0.025 0.000 0.268 505 E C -1.846 174.641 176.600 -0.189 0.000 0.877 505 E CA -0.886 55.489 56.400 -0.041 0.000 0.757 505 E CB 2.308 32.177 29.700 0.282 0.000 1.183 505 E HN 0.553 nan 8.360 nan 0.000 0.418 506 L N 6.453 127.270 121.223 -0.676 0.000 2.280 506 L HA 0.546 4.871 4.340 -0.025 0.000 0.287 506 L C -1.496 175.196 176.870 -0.297 0.000 1.023 506 L CA -0.293 54.151 54.840 -0.660 0.000 0.819 506 L CB 0.402 41.756 42.059 -1.174 0.000 1.212 506 L HN 0.484 nan 8.230 nan 0.000 0.420 507 F N 2.161 121.982 119.950 -0.215 0.000 2.629 507 F HA 0.819 5.333 4.527 -0.023 0.000 0.316 507 F C -0.681 175.071 175.800 -0.079 0.000 1.081 507 F CA -0.771 57.154 58.000 -0.126 0.000 0.954 507 F CB 1.327 40.276 39.000 -0.085 0.000 1.337 507 F HN 0.482 nan 8.300 nan 0.000 0.474 508 Q N 0.000 119.896 119.800 0.161 0.000 2.315 508 Q HA 0.000 4.325 4.340 -0.025 0.000 0.214 508 Q CA 0.000 55.847 55.803 0.074 0.000 1.022 508 Q CB 0.000 28.755 28.738 0.028 0.000 1.108 508 Q HN 0.000 nan 8.270 nan 0.000 0.481