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 2e37_1_H DATA FIRST_RESID 2 DATA SEQUENCE KVGIVGSGXV GSATAYALAL LGVAREVVLV DLDRKLAQAH AEDILHATPF DATA SEQUENCE AHPVWVRAGS YGDLEGARAV VLAAGVAQRP GETRLQLLDR NAQVFAQVVP DATA SEQUENCE RVLEAAPEAV LLVATNPVDV XTQVAYRLSG LPPGRVVGSG TILDTARFRA DATA SEQUENCE LLAEYLRVAP QSVHAYVLGE HGDSEVLVWS SAQVGGVPLL EFAEARXXAL DATA SEQUENCE SPEDRARIDE GVRRAAYRII EGKGATYYGI GAGLARLVRA ILTDEKGVYT DATA SEQUENCE VSAFTPEVEG VLEVSLSLPR ILGAGGVEGT VYPSLSPEER EALRRSAEIL DATA SEQUENCE KEAAFALGF 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.586 176.600 -0.023 0.000 0.988 2 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 2 K CB 0.000 32.496 32.500 -0.006 0.000 1.064 3 V N 2.502 122.392 119.914 -0.039 0.000 2.789 3 V HA 0.924 5.044 4.120 0.000 0.000 0.311 3 V C -0.501 175.554 176.094 -0.065 0.000 1.073 3 V CA 0.188 62.460 62.300 -0.046 0.000 0.921 3 V CB 1.725 33.523 31.823 -0.042 0.000 1.009 3 V HN 0.878 nan 8.190 nan 0.000 0.426 4 G N 5.092 113.854 108.800 -0.063 0.000 2.489 4 G HA2 0.782 4.742 3.960 0.000 0.000 0.327 4 G HA3 0.782 4.742 3.960 0.000 0.000 0.327 4 G C -1.306 173.548 174.900 -0.075 0.000 1.189 4 G CA -0.720 44.334 45.100 -0.077 0.000 0.962 4 G HN 0.809 nan 8.290 nan 0.000 0.486 5 I N 0.556 121.072 120.570 -0.089 0.000 2.548 5 I HA 0.262 4.432 4.170 0.000 0.000 0.287 5 I C -0.845 175.212 176.117 -0.100 0.000 1.103 5 I CA -0.804 60.446 61.300 -0.084 0.000 1.049 5 I CB 2.481 40.433 38.000 -0.081 0.000 1.232 5 I HN 0.103 nan 8.210 nan 0.000 0.429 6 V N 4.696 124.556 119.914 -0.090 0.000 2.417 6 V HA 0.864 4.984 4.120 0.000 0.000 0.291 6 V C 0.337 176.391 176.094 -0.068 0.000 1.024 6 V CA -0.348 61.891 62.300 -0.101 0.000 0.861 6 V CB 1.443 33.218 31.823 -0.081 0.000 0.985 6 V HN 1.031 nan 8.190 nan 0.000 0.436 7 G N 3.197 111.957 108.800 -0.066 0.000 2.768 7 G HA2 -0.123 3.837 3.960 0.000 0.000 0.666 7 G HA3 -0.123 3.837 3.960 0.000 0.000 0.666 7 G C -0.053 174.817 174.900 -0.050 0.000 1.162 7 G CA -0.078 45.002 45.100 -0.033 0.000 1.226 7 G HN 0.823 nan 8.290 nan 0.000 0.535 8 S N 0.959 116.635 115.700 -0.039 0.000 2.849 8 S HA 0.557 5.027 4.470 0.000 0.000 0.244 8 S C 1.355 175.960 174.600 0.007 0.000 1.297 8 S CA 0.745 58.928 58.200 -0.029 0.000 1.241 8 S CB -0.641 62.578 63.200 0.032 0.000 0.958 8 S HN 1.511 nan 8.310 nan 0.000 0.489 12 G N 1.119 109.863 108.800 -0.093 0.000 2.402 12 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 12 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 12 G C 1.759 176.564 174.900 -0.159 0.000 1.162 12 G CA 1.761 46.799 45.100 -0.104 0.000 0.777 12 G HN 0.733 nan 8.290 nan 0.000 0.539 13 S N 1.359 116.872 115.700 -0.312 0.000 2.368 13 S HA 0.139 4.609 4.470 0.000 0.000 0.224 13 S C 2.621 177.125 174.600 -0.160 0.000 1.029 13 S CA 1.479 59.418 58.200 -0.435 0.000 0.988 13 S CB -0.556 61.958 63.200 -1.143 0.000 0.838 13 S HN 0.569 nan 8.310 nan 0.000 0.462 14 A N 1.657 124.430 122.820 -0.078 0.000 1.972 14 A HA -0.025 4.295 4.320 0.000 0.000 0.219 14 A C 2.370 180.050 177.584 0.161 0.000 1.169 14 A CA 2.020 54.141 52.037 0.140 0.000 0.635 14 A CB -1.557 17.574 19.000 0.220 0.000 0.810 14 A HN 0.594 nan 8.150 nan 0.000 0.446 15 T N 0.092 114.685 114.554 0.064 0.000 2.777 15 T HA 0.053 4.403 4.350 0.000 0.000 0.266 15 T C 2.224 176.953 174.700 0.048 0.000 1.040 15 T CA 1.348 63.476 62.100 0.047 0.000 1.141 15 T CB -0.358 68.511 68.868 0.003 0.000 0.868 15 T HN 0.583 nan 8.240 nan 0.000 0.444 16 A N 0.498 123.338 122.820 0.034 0.000 1.930 16 A HA -0.074 4.246 4.320 0.000 0.000 0.217 16 A C 2.098 179.765 177.584 0.137 0.000 1.175 16 A CA 1.229 53.291 52.037 0.043 0.000 0.627 16 A CB -0.903 18.096 19.000 -0.001 0.000 0.815 16 A HN 0.509 nan 8.150 nan 0.000 0.443 17 Y N 0.638 120.948 120.300 0.016 0.000 2.145 17 Y HA -0.079 4.471 4.550 0.000 0.000 0.286 17 Y C 2.704 178.642 175.900 0.064 0.000 1.145 17 Y CA 0.906 59.042 58.100 0.059 0.000 1.148 17 Y CB -0.772 37.745 38.460 0.095 0.000 0.981 17 Y HN 0.304 nan 8.280 nan 0.000 0.507 18 A N -0.092 122.781 122.820 0.087 0.000 1.930 18 A HA -0.125 4.195 4.320 0.000 0.000 0.217 18 A C 2.384 179.947 177.584 -0.036 0.000 1.175 18 A CA 1.556 53.578 52.037 -0.025 0.000 0.627 18 A CB -1.095 17.921 19.000 0.028 0.000 0.815 18 A HN 0.512 nan 8.150 nan 0.000 0.443 19 L N -0.753 120.469 121.223 -0.002 0.000 2.012 19 L HA -0.242 4.098 4.340 0.000 0.000 0.210 19 L C 3.132 179.989 176.870 -0.023 0.000 1.073 19 L CA 1.239 56.068 54.840 -0.020 0.000 0.748 19 L CB -0.581 41.473 42.059 -0.008 0.000 0.891 19 L HN 0.458 nan 8.230 nan 0.000 0.431 20 A N 0.162 122.991 122.820 0.015 0.000 1.845 20 A HA -0.166 4.154 4.320 0.000 0.000 0.215 20 A C 2.201 179.806 177.584 0.035 0.000 1.195 20 A CA 1.419 53.484 52.037 0.047 0.000 0.616 20 A CB -0.861 18.207 19.000 0.113 0.000 0.832 20 A HN 0.350 nan 8.150 nan 0.000 0.443 21 L N -0.716 120.476 121.223 -0.051 0.000 2.187 21 L HA -0.154 4.186 4.340 0.000 0.000 0.213 21 L C 1.950 178.849 176.870 0.048 0.000 1.100 21 L CA 0.892 55.712 54.840 -0.034 0.000 0.765 21 L CB -0.400 41.513 42.059 -0.243 0.000 0.904 21 L HN 0.360 nan 8.230 nan 0.000 0.437 22 L N -0.717 120.460 121.223 -0.077 0.000 2.607 22 L HA 0.234 4.574 4.340 0.000 0.000 0.228 22 L C 1.228 177.828 176.870 -0.450 0.000 1.123 22 L CA 0.157 54.894 54.840 -0.171 0.000 0.890 22 L CB -0.272 41.723 42.059 -0.107 0.000 1.103 22 L HN 0.371 nan 8.230 nan 0.000 0.468 23 G N 0.735 109.242 108.800 -0.488 0.000 2.338 23 G HA2 -0.233 3.727 3.960 0.000 0.000 0.296 23 G HA3 -0.233 3.727 3.960 0.000 0.000 0.296 23 G C 0.655 175.405 174.900 -0.251 0.000 1.040 23 G CA 0.450 45.250 45.100 -0.500 0.000 1.004 23 G HN 0.149 nan 8.290 nan 0.000 0.509 24 V N -0.520 119.306 119.914 -0.145 0.000 2.346 24 V HA 0.403 4.523 4.120 0.000 0.000 0.244 24 V C 1.859 177.922 176.094 -0.052 0.000 1.037 24 V CA 2.399 64.645 62.300 -0.089 0.000 1.029 24 V CB -0.249 31.533 31.823 -0.068 0.000 0.663 24 V HN 1.350 nan 8.190 nan 0.000 0.454 25 A N -1.052 121.749 122.820 -0.033 0.000 2.423 25 A HA 0.595 4.915 4.320 0.000 0.000 0.304 25 A C 0.828 178.426 177.584 0.023 0.000 1.104 25 A CA -0.612 51.422 52.037 -0.006 0.000 0.757 25 A CB 1.213 20.208 19.000 -0.009 0.000 1.313 25 A HN 0.138 nan 8.150 nan 0.000 0.423 26 R N -0.158 120.368 120.500 0.045 0.000 2.119 26 R HA 0.045 4.385 4.340 0.000 0.000 0.222 26 R C 0.100 176.482 176.300 0.137 0.000 1.088 26 R CA 1.053 57.205 56.100 0.087 0.000 0.984 26 R CB 0.311 30.662 30.300 0.086 0.000 0.884 26 R HN 0.785 nan 8.270 nan 0.000 0.447 27 E N 0.448 120.702 120.200 0.091 0.000 2.292 27 E HA 0.323 4.673 4.350 0.000 0.000 0.272 27 E C -1.701 174.874 176.600 -0.041 0.000 0.881 27 E CA -0.485 55.951 56.400 0.060 0.000 0.754 27 E CB 2.367 32.118 29.700 0.084 0.000 1.201 27 E HN -0.219 nan 8.360 nan 0.000 0.425 28 V N 4.089 123.938 119.914 -0.109 0.000 2.531 28 V HA 0.395 4.515 4.120 0.000 0.000 0.301 28 V C -0.690 175.281 176.094 -0.205 0.000 1.034 28 V CA -0.775 61.454 62.300 -0.119 0.000 0.865 28 V CB 1.859 33.643 31.823 -0.065 0.000 0.995 28 V HN 0.484 nan 8.190 nan 0.000 0.424 29 V N 6.077 125.881 119.914 -0.183 0.000 2.448 29 V HA 0.493 4.613 4.120 0.000 0.000 0.295 29 V C -0.265 175.732 176.094 -0.162 0.000 1.025 29 V CA -0.568 61.604 62.300 -0.213 0.000 0.859 29 V CB 1.801 33.495 31.823 -0.214 0.000 0.988 29 V HN 0.641 nan 8.190 nan 0.000 0.431 30 L N 5.291 126.419 121.223 -0.158 0.000 2.264 30 L HA 0.585 4.925 4.340 0.000 0.000 0.289 30 L C -0.592 176.187 176.870 -0.153 0.000 1.044 30 L CA -0.466 54.295 54.840 -0.131 0.000 0.807 30 L CB 1.668 43.670 42.059 -0.095 0.000 1.192 30 L HN 0.397 nan 8.230 nan 0.000 0.425 31 V N 3.093 122.901 119.914 -0.177 0.000 2.495 31 V HA 0.551 4.671 4.120 0.000 0.000 0.298 31 V C -0.586 175.370 176.094 -0.229 0.000 1.031 31 V CA -0.499 61.647 62.300 -0.256 0.000 0.871 31 V CB 1.961 33.548 31.823 -0.394 0.000 0.988 31 V HN 0.704 nan 8.190 nan 0.000 0.432 32 D N 2.498 122.773 120.400 -0.209 0.000 2.769 32 D HA 0.212 4.852 4.640 0.000 0.000 0.219 32 D C 0.512 176.744 176.300 -0.114 0.000 1.245 32 D CA -0.548 53.369 54.000 -0.138 0.000 0.801 32 D CB 2.295 43.050 40.800 -0.075 0.000 1.598 32 D HN 0.348 nan 8.370 nan 0.000 0.485 33 L N 1.166 122.346 121.223 -0.071 0.000 2.081 33 L HA 0.087 4.427 4.340 0.000 0.000 0.212 33 L C 0.974 177.823 176.870 -0.034 0.000 1.080 33 L CA 1.484 56.302 54.840 -0.036 0.000 0.754 33 L CB -0.588 41.472 42.059 0.001 0.000 0.893 33 L HN 0.230 nan 8.230 nan 0.000 0.433 34 D N 0.218 120.597 120.400 -0.034 0.000 2.508 34 D HA 0.028 4.668 4.640 0.000 0.000 0.224 34 D C 1.389 177.663 176.300 -0.043 0.000 1.171 34 D CA -0.068 53.912 54.000 -0.033 0.000 1.006 34 D CB 0.653 41.435 40.800 -0.029 0.000 1.073 34 D HN 0.079 nan 8.370 nan 0.000 0.513 35 R N 2.552 123.025 120.500 -0.045 0.000 2.117 35 R HA -0.170 4.170 4.340 0.000 0.000 0.243 35 R C 1.737 178.008 176.300 -0.048 0.000 1.143 35 R CA 1.538 57.608 56.100 -0.051 0.000 0.968 35 R CB -0.011 30.263 30.300 -0.043 0.000 0.863 35 R HN 0.215 nan 8.270 nan 0.000 0.444 36 K N -0.552 119.821 120.400 -0.046 0.000 2.057 36 K HA -0.090 4.230 4.320 0.000 0.000 0.206 36 K C 1.787 178.345 176.600 -0.070 0.000 1.050 36 K CA 1.161 57.417 56.287 -0.052 0.000 0.935 36 K CB -0.341 32.130 32.500 -0.048 0.000 0.715 36 K HN 0.125 nan 8.250 nan 0.000 0.439 37 L N 0.321 121.501 121.223 -0.071 0.000 2.017 37 L HA -0.063 4.277 4.340 0.000 0.000 0.208 37 L C 2.037 178.867 176.870 -0.067 0.000 1.073 37 L CA 2.141 56.922 54.840 -0.099 0.000 0.745 37 L CB -0.804 41.217 42.059 -0.063 0.000 0.894 37 L HN 0.204 nan 8.230 nan 0.000 0.432 38 A N -1.333 121.477 122.820 -0.017 0.000 1.930 38 A HA -0.231 4.089 4.320 0.000 0.000 0.217 38 A C 2.229 179.811 177.584 -0.002 0.000 1.175 38 A CA 1.650 53.698 52.037 0.018 0.000 0.627 38 A CB -0.557 18.423 19.000 -0.035 0.000 0.815 38 A HN 0.630 nan 8.150 nan 0.000 0.443 39 Q N -0.733 119.045 119.800 -0.037 0.000 2.124 39 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 39 Q C 2.375 178.348 176.000 -0.046 0.000 0.977 39 Q CA 1.380 57.158 55.803 -0.040 0.000 0.850 39 Q CB -0.341 28.372 28.738 -0.043 0.000 0.901 39 Q HN 0.700 nan 8.270 nan 0.000 0.429 40 A N 0.215 122.987 122.820 -0.080 0.000 1.898 40 A HA -0.206 4.114 4.320 0.000 0.000 0.216 40 A C 1.727 179.247 177.584 -0.107 0.000 1.181 40 A CA 1.309 53.273 52.037 -0.121 0.000 0.620 40 A CB -0.598 18.289 19.000 -0.188 0.000 0.819 40 A HN 0.340 nan 8.150 nan 0.000 0.442 41 H N -0.166 118.863 119.070 -0.068 0.000 2.321 41 H HA -0.034 4.522 4.556 0.000 0.000 0.300 41 H C 2.588 177.881 175.328 -0.057 0.000 1.087 41 H CA 1.466 57.472 56.048 -0.071 0.000 1.319 41 H CB -0.598 29.119 29.762 -0.076 0.000 1.379 41 H HN 0.478 nan 8.280 nan 0.000 0.501 42 A N 0.689 123.559 122.820 0.084 0.000 1.902 42 A HA -0.199 4.121 4.320 0.000 0.000 0.217 42 A C 2.383 179.975 177.584 0.013 0.000 1.181 42 A CA 1.889 53.942 52.037 0.027 0.000 0.623 42 A CB -0.468 18.521 19.000 -0.018 0.000 0.818 42 A HN 0.524 nan 8.150 nan 0.000 0.443 43 E N -0.721 119.465 120.200 -0.024 0.000 2.152 43 E HA -0.213 4.137 4.350 0.000 0.000 0.192 43 E C 1.596 178.116 176.600 -0.134 0.000 0.983 43 E CA 1.012 57.358 56.400 -0.089 0.000 0.818 43 E CB -0.086 29.541 29.700 -0.121 0.000 0.758 43 E HN 0.554 nan 8.360 nan 0.000 0.467 44 D N 0.402 120.771 120.400 -0.052 0.000 2.117 44 D HA -0.139 4.501 4.640 0.000 0.000 0.197 44 D C 1.865 178.216 176.300 0.085 0.000 0.987 44 D CA 1.014 55.020 54.000 0.010 0.000 0.829 44 D CB -0.090 40.724 40.800 0.023 0.000 0.961 44 D HN 0.251 nan 8.370 nan 0.000 0.460 45 I N 0.199 120.822 120.570 0.088 0.000 2.315 45 I HA -0.191 3.979 4.170 0.000 0.000 0.248 45 I C 2.450 178.688 176.117 0.202 0.000 1.117 45 I CA 0.377 61.782 61.300 0.175 0.000 1.404 45 I CB -0.080 38.023 38.000 0.172 0.000 1.071 45 I HN 0.097 nan 8.210 nan 0.000 0.419 46 L N -0.102 121.197 121.223 0.126 0.000 2.191 46 L HA -0.254 4.086 4.340 0.000 0.000 0.212 46 L C 2.375 179.359 176.870 0.190 0.000 1.103 46 L CA 1.552 56.469 54.840 0.129 0.000 0.769 46 L CB -0.723 41.378 42.059 0.070 0.000 0.908 46 L HN 0.404 nan 8.230 nan 0.000 0.438 47 H N -1.310 117.846 119.070 0.143 0.000 2.457 47 H HA -0.077 4.479 4.556 0.000 0.000 0.294 47 H C 2.136 177.625 175.328 0.269 0.000 1.064 47 H CA 0.680 56.829 56.048 0.170 0.000 1.330 47 H CB 0.382 30.237 29.762 0.154 0.000 1.395 47 H HN 0.388 nan 8.280 nan 0.000 0.541 48 A N -0.287 122.782 122.820 0.415 0.000 2.030 48 A HA -0.067 4.253 4.320 0.000 0.000 0.215 48 A C 2.279 180.063 177.584 0.334 0.000 1.164 48 A CA 0.964 53.278 52.037 0.461 0.000 0.697 48 A CB -0.419 18.879 19.000 0.497 0.000 0.827 48 A HN 0.255 nan 8.150 nan 0.000 0.457 49 T N 1.288 115.971 114.554 0.216 0.000 2.685 49 T HA -0.113 4.237 4.350 0.000 0.000 0.268 49 T C -0.360 174.338 174.700 -0.005 0.000 1.034 49 T CA 2.193 64.364 62.100 0.120 0.000 1.149 49 T CB -1.011 67.927 68.868 0.116 0.000 0.860 49 T HN 0.406 nan 8.240 nan 0.000 0.449 50 P HA 0.018 nan 4.420 nan 0.000 0.225 50 P C 0.419 177.402 177.300 -0.529 0.000 1.148 50 P CA 0.811 63.670 63.100 -0.402 0.000 0.779 50 P CB -0.153 31.185 31.700 -0.604 0.000 0.780 51 F N -2.005 117.961 119.950 0.026 0.000 2.668 51 F HA 0.518 5.045 4.527 0.000 0.000 0.297 51 F C 1.410 177.195 175.800 -0.025 0.000 1.124 51 F CA -0.246 57.756 58.000 0.003 0.000 1.353 51 F CB -0.256 38.758 39.000 0.023 0.000 0.992 51 F HN -0.069 nan 8.300 nan 0.000 0.524 52 A N -1.480 121.366 122.820 0.044 0.000 1.905 52 A HA 0.409 4.729 4.320 0.000 0.000 0.173 52 A C -0.621 176.830 177.584 -0.222 0.000 1.379 52 A CA -0.352 51.660 52.037 -0.041 0.000 2.322 52 A CB 0.742 19.803 19.000 0.103 0.000 2.641 52 A HN 0.131 nan 8.150 nan 0.000 1.109 53 H N 0.751 119.836 119.070 0.024 0.000 2.524 53 H HA 0.434 4.990 4.556 0.000 0.000 0.353 53 H C -2.654 172.689 175.328 0.026 0.000 1.136 53 H CA -1.710 54.349 56.048 0.018 0.000 1.193 53 H CB 1.745 31.517 29.762 0.016 0.000 1.558 53 H HN 0.325 nan 8.280 nan 0.000 0.515 54 P HA 0.058 nan 4.420 nan 0.000 0.271 54 P C -0.554 176.818 177.300 0.119 0.000 1.380 54 P CA -0.040 63.113 63.100 0.088 0.000 0.992 54 P CB 0.230 31.958 31.700 0.047 0.000 1.230 55 V N 4.916 124.914 119.914 0.140 0.000 2.531 55 V HA 0.235 4.355 4.120 0.000 0.000 0.301 55 V C -0.451 175.781 176.094 0.230 0.000 1.034 55 V CA -0.696 61.698 62.300 0.157 0.000 0.865 55 V CB 2.260 34.156 31.823 0.121 0.000 0.995 55 V HN 0.497 nan 8.190 nan 0.000 0.424 56 W N 6.427 127.739 121.300 0.021 0.000 2.507 56 W HA 0.567 5.227 4.660 0.000 0.000 0.334 56 W C -0.699 175.830 176.519 0.016 0.000 1.165 56 W CA -0.719 56.635 57.345 0.015 0.000 1.460 56 W CB 0.672 30.136 29.460 0.008 0.000 1.404 56 W HN 0.340 nan 8.180 nan 0.000 0.435 57 V N 8.529 128.494 119.914 0.086 0.000 2.394 57 V HA 0.616 4.736 4.120 0.000 0.000 0.282 57 V C -0.053 175.924 176.094 -0.196 0.000 1.031 57 V CA -0.698 61.551 62.300 -0.085 0.000 0.881 57 V CB 1.141 32.979 31.823 0.024 0.000 0.982 57 V HN 0.504 nan 8.190 nan 0.000 0.451 58 R N 3.738 124.040 120.500 -0.331 0.000 2.734 58 R HA 0.896 5.236 4.340 0.000 0.000 0.271 58 R C -1.013 175.151 176.300 -0.228 0.000 1.021 58 R CA -0.772 55.151 56.100 -0.296 0.000 0.893 58 R CB 1.769 31.756 30.300 -0.522 0.000 1.244 58 R HN 0.666 nan 8.270 nan 0.000 0.464 59 A N 0.453 123.181 122.820 -0.153 0.000 2.304 59 A HA 0.847 5.167 4.320 0.000 0.000 0.301 59 A C -0.051 177.444 177.584 -0.148 0.000 1.132 59 A CA 0.046 52.005 52.037 -0.129 0.000 0.819 59 A CB 1.013 19.964 19.000 -0.082 0.000 1.094 59 A HN 0.974 nan 8.150 nan 0.000 0.492 60 G N -0.388 108.319 108.800 -0.155 0.000 2.749 60 G HA2 0.632 4.592 3.960 0.000 0.000 0.300 60 G HA3 0.632 4.592 3.960 0.000 0.000 0.300 60 G C -0.414 174.391 174.900 -0.159 0.000 1.352 60 G CA 0.254 45.267 45.100 -0.146 0.000 0.789 60 G HN 1.489 nan 8.290 nan 0.000 0.509 61 S N -1.643 113.976 115.700 -0.134 0.000 2.739 61 S HA 0.492 4.962 4.470 0.000 0.000 0.306 61 S C 0.730 175.248 174.600 -0.137 0.000 1.115 61 S CA -0.591 57.515 58.200 -0.156 0.000 0.985 61 S CB 1.145 64.313 63.200 -0.053 0.000 1.133 61 S HN 0.466 nan 8.310 nan 0.000 0.541 62 Y N 1.156 121.428 120.300 -0.047 0.000 2.151 62 Y HA -0.040 4.510 4.550 0.000 0.000 0.284 62 Y C 2.769 178.641 175.900 -0.046 0.000 1.166 62 Y CA 1.906 59.976 58.100 -0.050 0.000 1.163 62 Y CB -1.185 37.248 38.460 -0.046 0.000 0.974 62 Y HN 0.896 nan 8.280 nan 0.000 0.511 63 G N -0.438 108.437 108.800 0.124 0.000 2.450 63 G HA2 -0.239 3.721 3.960 0.000 0.000 0.220 63 G HA3 -0.239 3.721 3.960 0.000 0.000 0.220 63 G C 1.224 176.137 174.900 0.022 0.000 1.130 63 G CA 1.287 46.422 45.100 0.059 0.000 0.760 63 G HN 0.322 nan 8.290 nan 0.000 0.557 64 D N 0.156 120.552 120.400 -0.007 0.000 2.378 64 D HA 0.028 4.668 4.640 0.000 0.000 0.227 64 D C 2.210 178.480 176.300 -0.050 0.000 1.012 64 D CA 0.151 54.127 54.000 -0.040 0.000 0.905 64 D CB 0.178 40.927 40.800 -0.085 0.000 0.895 64 D HN 0.320 nan 8.370 nan 0.000 0.532 65 L N 0.410 121.619 121.223 -0.023 0.000 2.554 65 L HA 0.043 4.383 4.340 0.000 0.000 0.226 65 L C 1.146 178.010 176.870 -0.011 0.000 1.137 65 L CA 0.022 54.848 54.840 -0.024 0.000 0.863 65 L CB -0.063 41.999 42.059 0.005 0.000 0.985 65 L HN -0.068 nan 8.230 nan 0.000 0.451 66 E N 0.937 121.137 120.200 -0.001 0.000 2.652 66 E HA -0.060 4.290 4.350 0.000 0.000 0.255 66 E C 1.085 177.686 176.600 0.002 0.000 0.952 66 E CA 0.888 57.291 56.400 0.004 0.000 0.947 66 E CB 0.246 29.952 29.700 0.010 0.000 0.912 66 E HN 0.398 nan 8.360 nan 0.000 0.489 67 G N 2.605 111.406 108.800 0.001 0.000 2.175 67 G HA2 -0.306 3.654 3.960 0.000 0.000 0.244 67 G HA3 -0.306 3.654 3.960 0.000 0.000 0.244 67 G C 0.269 175.168 174.900 -0.002 0.000 0.982 67 G CA 0.063 45.165 45.100 0.003 0.000 0.641 67 G HN 0.889 nan 8.290 nan 0.000 0.527 68 A N 0.128 122.942 122.820 -0.010 0.000 2.488 68 A HA 0.641 4.961 4.320 0.000 0.000 0.249 68 A C 1.313 178.888 177.584 -0.015 0.000 1.083 68 A CA 0.921 52.947 52.037 -0.017 0.000 0.768 68 A CB 0.156 19.140 19.000 -0.027 0.000 1.017 68 A HN 0.480 nan 8.150 nan 0.000 0.496 69 R N 1.248 121.739 120.500 -0.014 0.000 2.200 69 R HA 0.240 4.580 4.340 0.000 0.000 0.208 69 R C 0.512 176.801 176.300 -0.018 0.000 1.033 69 R CA 1.089 57.182 56.100 -0.012 0.000 1.000 69 R CB 0.166 30.460 30.300 -0.009 0.000 0.906 69 R HN 0.791 nan 8.270 nan 0.000 0.462 70 A N 0.230 123.035 122.820 -0.025 0.000 2.539 70 A HA 0.628 4.948 4.320 0.000 0.000 0.296 70 A C -1.299 176.262 177.584 -0.038 0.000 1.073 70 A CA -0.551 51.467 52.037 -0.031 0.000 0.700 70 A CB 2.165 21.143 19.000 -0.035 0.000 1.296 70 A HN -0.058 nan 8.150 nan 0.000 0.405 71 V N 1.608 121.496 119.914 -0.042 0.000 2.569 71 V HA 0.369 4.489 4.120 0.000 0.000 0.301 71 V C -0.482 175.579 176.094 -0.056 0.000 1.044 71 V CA -0.605 61.665 62.300 -0.050 0.000 0.874 71 V CB 1.696 33.491 31.823 -0.046 0.000 1.002 71 V HN 0.737 nan 8.190 nan 0.000 0.424 72 V N 6.227 126.106 119.914 -0.057 0.000 2.488 72 V HA 0.335 4.455 4.120 0.000 0.000 0.277 72 V C 0.098 176.154 176.094 -0.063 0.000 1.046 72 V CA -0.261 62.007 62.300 -0.052 0.000 0.986 72 V CB 1.337 33.133 31.823 -0.045 0.000 0.989 72 V HN 0.616 nan 8.190 nan 0.000 0.475 73 L N 5.188 126.372 121.223 -0.066 0.000 2.259 73 L HA 0.583 4.923 4.340 0.000 0.000 0.288 73 L C 0.624 177.506 176.870 0.019 0.000 1.051 73 L CA -0.147 54.628 54.840 -0.109 0.000 0.824 73 L CB 0.970 42.858 42.059 -0.284 0.000 1.206 73 L HN 0.749 nan 8.230 nan 0.000 0.429 74 A N 2.779 125.611 122.820 0.019 0.000 2.705 74 A HA 0.690 5.010 4.320 0.000 0.000 0.294 74 A C 0.457 178.087 177.584 0.077 0.000 1.039 74 A CA -0.186 51.889 52.037 0.062 0.000 1.005 74 A CB 0.349 19.357 19.000 0.012 0.000 1.192 74 A HN 0.637 nan 8.150 nan 0.000 0.513 75 A N -0.449 122.453 122.820 0.137 0.000 2.264 75 A HA 0.879 5.199 4.320 0.000 0.000 0.304 75 A C 0.885 178.579 177.584 0.184 0.000 1.100 75 A CA 0.264 52.383 52.037 0.137 0.000 0.839 75 A CB 0.246 19.321 19.000 0.125 0.000 1.121 75 A HN 2.250 nan 8.150 nan 0.000 0.496 76 G N -1.724 107.143 108.800 0.111 0.000 2.631 76 G HA2 0.210 4.170 3.960 0.000 0.000 0.504 76 G HA3 0.210 4.170 3.960 0.000 0.000 0.504 76 G C -0.800 174.118 174.900 0.030 0.000 1.306 76 G CA -0.393 44.748 45.100 0.069 0.000 0.897 76 G HN 1.586 nan 8.290 nan 0.000 0.520 77 V N 1.114 121.031 119.914 0.006 0.000 2.394 77 V HA 0.691 4.811 4.120 0.000 0.000 0.282 77 V C 1.150 177.234 176.094 -0.015 0.000 1.031 77 V CA 0.109 62.406 62.300 -0.004 0.000 0.881 77 V CB 0.989 32.807 31.823 -0.007 0.000 0.982 77 V HN 1.980 nan 8.190 nan 0.000 0.451 78 A N 4.272 127.085 122.820 -0.012 0.000 2.407 78 A HA 0.455 4.775 4.320 0.000 0.000 0.248 78 A C 0.035 177.601 177.584 -0.030 0.000 1.082 78 A CA -0.126 51.900 52.037 -0.018 0.000 0.785 78 A CB 0.357 19.354 19.000 -0.006 0.000 1.020 78 A HN 0.874 nan 8.150 nan 0.000 0.489 79 Q N 1.411 121.186 119.800 -0.042 0.000 2.230 79 Q HA 0.342 4.682 4.340 0.000 0.000 0.253 79 Q C -0.325 175.631 176.000 -0.074 0.000 0.919 79 Q CA -0.826 54.946 55.803 -0.052 0.000 0.908 79 Q CB 0.737 29.443 28.738 -0.054 0.000 1.245 79 Q HN 0.739 nan 8.270 nan 0.000 0.437 80 R N 3.284 123.736 120.500 -0.080 0.000 2.694 80 R HA 0.248 4.588 4.340 0.000 0.000 0.268 80 R C -2.297 173.890 176.300 -0.189 0.000 1.061 80 R CA -1.616 54.412 56.100 -0.121 0.000 1.133 80 R CB -0.478 29.766 30.300 -0.093 0.000 1.020 80 R HN 0.571 nan 8.270 nan 0.000 0.475 81 P HA -0.017 nan 4.420 nan 0.000 0.266 81 P C 0.658 177.728 177.300 -0.384 0.000 1.195 81 P CA 0.858 63.638 63.100 -0.533 0.000 0.768 81 P CB 0.446 31.483 31.700 -1.105 0.000 0.838 82 G N 1.007 109.723 108.800 -0.141 0.000 2.196 82 G HA2 -0.283 3.677 3.960 0.000 0.000 0.268 82 G HA3 -0.283 3.677 3.960 0.000 0.000 0.268 82 G C 0.131 175.050 174.900 0.030 0.000 0.975 82 G CA 0.151 45.302 45.100 0.084 0.000 0.648 82 G HN 0.564 nan 8.290 nan 0.000 0.538 83 E N -0.455 119.729 120.200 -0.028 0.000 2.232 83 E HA 0.662 5.012 4.350 0.000 0.000 0.265 83 E C -0.508 176.080 176.600 -0.019 0.000 1.001 83 E CA -0.311 56.078 56.400 -0.017 0.000 0.870 83 E CB 1.223 30.905 29.700 -0.031 0.000 1.175 83 E HN 0.086 nan 8.360 nan 0.000 0.407 84 T N 1.868 116.417 114.554 -0.009 0.000 3.103 84 T HA 0.269 4.619 4.350 0.000 0.000 0.352 84 T C -0.529 174.169 174.700 -0.004 0.000 1.048 84 T CA -0.625 61.471 62.100 -0.007 0.000 1.175 84 T CB 0.334 69.204 68.868 0.002 0.000 1.029 84 T HN 0.246 nan 8.240 nan 0.000 0.498 85 R N 2.853 123.347 120.500 -0.010 0.000 3.436 85 R HA 0.283 4.623 4.340 0.000 0.000 0.247 85 R C 1.263 177.561 176.300 -0.003 0.000 1.434 85 R CA -0.646 55.450 56.100 -0.006 0.000 1.543 85 R CB 0.171 30.464 30.300 -0.012 0.000 1.289 85 R HN 0.374 nan 8.270 nan 0.000 0.664 86 L N 1.554 122.781 121.223 0.006 0.000 2.137 86 L HA -0.306 4.034 4.340 0.000 0.000 0.213 86 L C 2.357 179.237 176.870 0.017 0.000 1.085 86 L CA 2.041 56.890 54.840 0.015 0.000 0.760 86 L CB -0.550 41.524 42.059 0.024 0.000 0.893 86 L HN 0.622 nan 8.230 nan 0.000 0.434 87 Q N -0.700 119.108 119.800 0.012 0.000 2.119 87 Q HA -0.229 4.111 4.340 0.000 0.000 0.201 87 Q C 2.289 178.294 176.000 0.009 0.000 0.972 87 Q CA 1.258 57.069 55.803 0.013 0.000 0.847 87 Q CB -0.013 28.732 28.738 0.010 0.000 0.903 87 Q HN 0.394 nan 8.270 nan 0.000 0.433 88 L N 0.360 121.582 121.223 -0.001 0.000 2.056 88 L HA -0.136 4.204 4.340 0.000 0.000 0.207 88 L C 1.937 178.793 176.870 -0.023 0.000 1.078 88 L CA 1.300 56.133 54.840 -0.011 0.000 0.749 88 L CB -0.534 41.515 42.059 -0.018 0.000 0.901 88 L HN 0.263 nan 8.230 nan 0.000 0.433 89 L N -0.069 121.139 121.223 -0.024 0.000 2.042 89 L HA -0.262 4.078 4.340 0.000 0.000 0.210 89 L C 2.305 179.164 176.870 -0.019 0.000 1.076 89 L CA 2.179 56.994 54.840 -0.042 0.000 0.749 89 L CB -1.156 40.890 42.059 -0.021 0.000 0.893 89 L HN 0.458 nan 8.230 nan 0.000 0.432 90 D N -0.944 119.471 120.400 0.024 0.000 2.117 90 D HA -0.174 4.466 4.640 0.000 0.000 0.197 90 D C 2.349 178.678 176.300 0.048 0.000 0.987 90 D CA 1.146 55.184 54.000 0.062 0.000 0.829 90 D CB 0.120 40.956 40.800 0.060 0.000 0.961 90 D HN 0.153 nan 8.370 nan 0.000 0.460 91 R N -0.281 120.232 120.500 0.022 0.000 2.066 91 R HA -0.050 4.290 4.340 0.000 0.000 0.232 91 R C 2.040 178.347 176.300 0.011 0.000 1.131 91 R CA 1.234 57.348 56.100 0.022 0.000 0.955 91 R CB -0.256 30.053 30.300 0.015 0.000 0.851 91 R HN 0.220 nan 8.270 nan 0.000 0.432 92 N N 0.720 119.398 118.700 -0.037 0.000 2.149 92 N HA -0.138 4.602 4.740 0.000 0.000 0.188 92 N C 1.536 176.958 175.510 -0.147 0.000 1.019 92 N CA 1.478 54.471 53.050 -0.096 0.000 0.857 92 N CB -0.256 38.115 38.487 -0.193 0.000 0.997 92 N HN 0.232 nan 8.380 nan 0.000 0.426 93 A N 0.899 123.640 122.820 -0.131 0.000 1.969 93 A HA -0.124 4.196 4.320 0.000 0.000 0.218 93 A C 2.083 179.723 177.584 0.093 0.000 1.169 93 A CA 1.027 53.000 52.037 -0.106 0.000 0.635 93 A CB -0.347 18.643 19.000 -0.016 0.000 0.810 93 A HN 0.349 nan 8.150 nan 0.000 0.445 94 Q N -0.528 119.335 119.800 0.105 0.000 2.172 94 Q HA -0.066 4.274 4.340 0.000 0.000 0.200 94 Q C 2.072 178.149 176.000 0.129 0.000 0.964 94 Q CA 1.340 57.215 55.803 0.121 0.000 0.855 94 Q CB -0.291 28.500 28.738 0.089 0.000 0.918 94 Q HN 0.488 nan 8.270 nan 0.000 0.444 95 V N 0.445 120.446 119.914 0.144 0.000 2.295 95 V HA -0.233 3.887 4.120 0.000 0.000 0.246 95 V C 1.892 178.136 176.094 0.251 0.000 1.049 95 V CA 1.622 64.030 62.300 0.180 0.000 1.024 95 V CB -0.554 31.390 31.823 0.202 0.000 0.648 95 V HN 0.251 nan 8.190 nan 0.000 0.447 96 F N 0.904 120.848 119.950 -0.010 0.000 2.202 96 F HA -0.136 4.391 4.527 0.000 0.000 0.301 96 F C 2.368 178.151 175.800 -0.028 0.000 1.082 96 F CA 0.974 58.954 58.000 -0.032 0.000 1.313 96 F CB -1.081 37.868 39.000 -0.085 0.000 1.024 96 F HN 0.122 nan 8.300 nan 0.000 0.495 97 A N -0.937 121.985 122.820 0.171 0.000 2.067 97 A HA -0.145 4.175 4.320 0.000 0.000 0.219 97 A C 2.149 179.750 177.584 0.029 0.000 1.158 97 A CA 1.147 53.243 52.037 0.099 0.000 0.661 97 A CB -0.313 18.763 19.000 0.126 0.000 0.801 97 A HN 0.293 nan 8.150 nan 0.000 0.452 98 Q N -0.668 119.149 119.800 0.029 0.000 2.165 98 Q HA 0.024 4.364 4.340 0.000 0.000 0.197 98 Q C 2.319 178.259 176.000 -0.100 0.000 0.952 98 Q CA 1.307 57.097 55.803 -0.022 0.000 0.848 98 Q CB -0.592 28.158 28.738 0.020 0.000 0.931 98 Q HN 0.473 nan 8.270 nan 0.000 0.470 99 V N 0.588 120.462 119.914 -0.068 0.000 2.255 99 V HA -0.190 3.930 4.120 0.000 0.000 0.243 99 V C 2.525 178.503 176.094 -0.194 0.000 1.038 99 V CA 1.375 63.610 62.300 -0.108 0.000 1.008 99 V CB -0.864 30.892 31.823 -0.111 0.000 0.645 99 V HN 0.037 nan 8.190 nan 0.000 0.449 100 V N 1.476 121.271 119.914 -0.199 0.000 2.220 100 V HA -0.229 3.891 4.120 0.000 0.000 0.250 100 V C 0.435 176.436 176.094 -0.155 0.000 1.056 100 V CA 2.950 65.143 62.300 -0.179 0.000 1.016 100 V CB -2.283 29.453 31.823 -0.145 0.000 0.639 100 V HN 0.531 nan 8.190 nan 0.000 0.446 101 P HA -0.201 nan 4.420 nan 0.000 0.218 101 P C 1.524 178.709 177.300 -0.191 0.000 1.148 101 P CA 1.582 64.599 63.100 -0.138 0.000 0.822 101 P CB -0.081 31.550 31.700 -0.114 0.000 0.784 102 R N 0.068 120.383 120.500 -0.309 0.000 2.092 102 R HA -0.031 4.309 4.340 0.000 0.000 0.231 102 R C 2.317 178.407 176.300 -0.349 0.000 1.119 102 R CA 0.985 56.776 56.100 -0.515 0.000 0.970 102 R CB -1.566 28.048 30.300 -1.143 0.000 0.864 102 R HN 0.041 nan 8.270 nan 0.000 0.440 103 V N 0.065 119.856 119.914 -0.205 0.000 2.323 103 V HA -0.165 3.955 4.120 0.000 0.000 0.244 103 V C 1.838 177.901 176.094 -0.053 0.000 1.041 103 V CA 1.186 63.464 62.300 -0.037 0.000 1.025 103 V CB -0.383 31.423 31.823 -0.029 0.000 0.656 103 V HN 0.178 nan 8.190 nan 0.000 0.451 104 L N 0.009 121.183 121.223 -0.081 0.000 2.275 104 L HA -0.102 4.238 4.340 0.000 0.000 0.215 104 L C 2.326 179.161 176.870 -0.058 0.000 1.119 104 L CA 1.671 56.473 54.840 -0.064 0.000 0.790 104 L CB -1.042 40.974 42.059 -0.071 0.000 0.919 104 L HN 0.443 nan 8.230 nan 0.000 0.443 105 E N -0.332 119.823 120.200 -0.075 0.000 2.047 105 E HA -0.155 4.195 4.350 0.000 0.000 0.191 105 E C 2.197 178.776 176.600 -0.036 0.000 0.987 105 E CA 1.430 57.792 56.400 -0.062 0.000 0.799 105 E CB -0.014 29.634 29.700 -0.086 0.000 0.752 105 E HN 0.373 nan 8.360 nan 0.000 0.449 106 A N -0.181 122.624 122.820 -0.024 0.000 1.975 106 A HA 0.414 4.734 4.320 0.000 0.000 0.215 106 A C 1.421 179.003 177.584 -0.002 0.000 1.170 106 A CA 0.882 52.920 52.037 0.000 0.000 0.656 106 A CB 0.110 19.130 19.000 0.033 0.000 0.821 106 A HN 0.269 nan 8.150 nan 0.000 0.449 107 A N -0.327 122.488 122.820 -0.009 0.000 3.258 107 A HA 0.611 4.931 4.320 0.000 0.000 0.318 107 A C -1.875 175.698 177.584 -0.019 0.000 0.990 107 A CA -0.951 51.080 52.037 -0.011 0.000 0.885 107 A CB 0.263 19.257 19.000 -0.010 0.000 1.090 107 A HN 0.117 nan 8.150 nan 0.000 0.479 108 P HA -0.152 nan 4.420 nan 0.000 0.221 108 P C 0.920 178.210 177.300 -0.018 0.000 1.145 108 P CA 1.261 64.348 63.100 -0.022 0.000 0.795 108 P CB 0.395 32.083 31.700 -0.020 0.000 0.775 109 E N -1.235 118.957 120.200 -0.013 0.000 2.472 109 E HA 0.196 4.546 4.350 0.000 0.000 0.196 109 E C 0.858 177.452 176.600 -0.010 0.000 1.033 109 E CA -0.108 56.286 56.400 -0.009 0.000 0.886 109 E CB 0.050 29.747 29.700 -0.006 0.000 0.944 109 E HN 0.137 nan 8.360 nan 0.000 0.492 110 A N 1.410 124.221 122.820 -0.015 0.000 2.425 110 A HA 0.229 4.549 4.320 0.000 0.000 0.242 110 A C 0.447 178.022 177.584 -0.016 0.000 1.077 110 A CA -0.188 51.839 52.037 -0.017 0.000 0.781 110 A CB 0.547 19.533 19.000 -0.023 0.000 1.020 110 A HN -0.015 nan 8.150 nan 0.000 0.494 111 V N 2.719 122.623 119.914 -0.016 0.000 2.509 111 V HA 0.251 4.371 4.120 0.000 0.000 0.284 111 V C 0.139 176.220 176.094 -0.022 0.000 1.047 111 V CA -0.181 62.111 62.300 -0.013 0.000 0.952 111 V CB 1.155 32.971 31.823 -0.013 0.000 0.988 111 V HN 0.663 nan 8.190 nan 0.000 0.469 112 L N 6.041 127.253 121.223 -0.018 0.000 2.264 112 L HA 0.487 4.827 4.340 0.000 0.000 0.289 112 L C -0.491 176.367 176.870 -0.020 0.000 1.044 112 L CA -0.304 54.518 54.840 -0.030 0.000 0.807 112 L CB 1.137 43.174 42.059 -0.036 0.000 1.192 112 L HN 0.436 nan 8.230 nan 0.000 0.425 113 L N 4.810 126.015 121.223 -0.031 0.000 2.283 113 L HA 0.359 4.699 4.340 0.000 0.000 0.281 113 L C -0.303 176.563 176.870 -0.007 0.000 1.033 113 L CA -0.564 54.261 54.840 -0.025 0.000 0.848 113 L CB 1.588 43.622 42.059 -0.042 0.000 1.226 113 L HN 0.317 nan 8.230 nan 0.000 0.429 114 V N 3.230 123.160 119.914 0.027 0.000 2.488 114 V HA 0.266 4.386 4.120 0.000 0.000 0.277 114 V C 0.862 176.995 176.094 0.065 0.000 1.046 114 V CA 0.399 62.751 62.300 0.088 0.000 0.986 114 V CB 1.206 33.116 31.823 0.146 0.000 0.989 114 V HN 0.937 nan 8.190 nan 0.000 0.475 115 A N 3.339 126.212 122.820 0.089 0.000 2.074 115 A HA 0.212 4.532 4.320 0.000 0.000 0.200 115 A C 1.191 178.819 177.584 0.073 0.000 1.335 115 A CA 0.122 52.192 52.037 0.055 0.000 0.922 115 A CB -0.044 18.977 19.000 0.035 0.000 0.972 115 A HN 0.635 nan 8.150 nan 0.000 0.475 116 T N 2.518 117.147 114.554 0.124 0.000 2.822 116 T HA 0.049 4.399 4.350 0.000 0.000 0.288 116 T C 0.110 174.818 174.700 0.014 0.000 0.991 116 T CA 0.386 62.533 62.100 0.078 0.000 1.176 116 T CB -0.402 68.537 68.868 0.117 0.000 0.951 116 T HN 0.434 nan 8.240 nan 0.000 0.526 117 N N 3.998 122.706 118.700 0.013 0.000 2.530 117 N HA 0.243 4.983 4.740 0.000 0.000 0.277 117 N C -2.266 173.218 175.510 -0.043 0.000 1.168 117 N CA -1.823 51.231 53.050 0.006 0.000 0.979 117 N CB 0.677 39.178 38.487 0.024 0.000 1.141 117 N HN 0.271 nan 8.380 nan 0.000 0.459 118 P HA -0.001 nan 4.420 nan 0.000 0.271 118 P C 0.964 178.256 177.300 -0.012 0.000 1.380 118 P CA -0.055 63.032 63.100 -0.023 0.000 0.992 118 P CB 0.807 32.484 31.700 -0.038 0.000 1.230 119 V N 3.895 123.832 119.914 0.039 0.000 2.311 119 V HA -0.310 3.810 4.120 0.000 0.000 0.256 119 V C 1.860 177.964 176.094 0.016 0.000 1.077 119 V CA 2.411 64.731 62.300 0.034 0.000 1.067 119 V CB -0.593 31.262 31.823 0.054 0.000 0.659 119 V HN 0.451 nan 8.190 nan 0.000 0.451 120 D N -0.455 119.960 120.400 0.024 0.000 2.104 120 D HA -0.081 4.559 4.640 0.000 0.000 0.194 120 D C 1.217 177.511 176.300 -0.009 0.000 0.994 120 D CA 1.325 55.330 54.000 0.008 0.000 0.830 120 D CB -0.319 40.486 40.800 0.008 0.000 0.959 120 D HN 0.428 nan 8.370 nan 0.000 0.452 124 Q N 1.859 121.714 119.800 0.091 0.000 2.096 124 Q HA -0.063 4.277 4.340 0.000 0.000 0.204 124 Q C 2.005 178.072 176.000 0.111 0.000 0.982 124 Q CA 2.396 58.302 55.803 0.172 0.000 0.850 124 Q CB -0.581 28.231 28.738 0.123 0.000 0.901 124 Q HN 0.436 nan 8.270 nan 0.000 0.422 125 V N 0.622 120.459 119.914 -0.129 0.000 2.307 125 V HA -0.255 3.865 4.120 0.000 0.000 0.245 125 V C 2.318 178.318 176.094 -0.158 0.000 1.045 125 V CA 1.762 63.776 62.300 -0.478 0.000 1.024 125 V CB -1.280 30.100 31.823 -0.738 0.000 0.651 125 V HN 0.565 nan 8.190 nan 0.000 0.449 126 A N -0.683 122.194 122.820 0.096 0.000 1.908 126 A HA -0.292 4.028 4.320 0.000 0.000 0.218 126 A C 2.163 179.783 177.584 0.059 0.000 1.181 126 A CA 2.292 54.418 52.037 0.148 0.000 0.627 126 A CB -0.833 18.284 19.000 0.195 0.000 0.818 126 A HN 0.663 nan 8.150 nan 0.000 0.445 127 Y N 0.936 121.231 120.300 -0.009 0.000 2.030 127 Y HA -0.272 4.278 4.550 0.000 0.000 0.274 127 Y C 2.526 178.380 175.900 -0.076 0.000 1.153 127 Y CA 2.302 60.370 58.100 -0.052 0.000 1.115 127 Y CB -0.456 37.970 38.460 -0.056 0.000 0.969 127 Y HN 0.241 nan 8.280 nan 0.000 0.488 128 R N 0.257 120.565 120.500 -0.320 0.000 2.117 128 R HA -0.193 4.147 4.340 0.000 0.000 0.243 128 R C 2.372 178.552 176.300 -0.200 0.000 1.143 128 R CA 1.862 57.761 56.100 -0.335 0.000 0.968 128 R CB -1.026 29.362 30.300 0.148 0.000 0.863 128 R HN 0.448 nan 8.270 nan 0.000 0.444 129 L N 1.105 122.284 121.223 -0.073 0.000 2.141 129 L HA -0.145 4.195 4.340 0.000 0.000 0.209 129 L C 2.755 179.565 176.870 -0.099 0.000 1.094 129 L CA 1.471 56.296 54.840 -0.024 0.000 0.763 129 L CB -0.515 41.552 42.059 0.014 0.000 0.908 129 L HN 0.293 nan 8.230 nan 0.000 0.437 130 S N -0.397 115.209 115.700 -0.157 0.000 2.402 130 S HA -0.062 4.408 4.470 0.000 0.000 0.229 130 S C 1.755 176.263 174.600 -0.154 0.000 1.021 130 S CA 0.755 58.871 58.200 -0.139 0.000 0.974 130 S CB -0.341 62.788 63.200 -0.118 0.000 0.800 130 S HN 0.532 nan 8.310 nan 0.000 0.484 131 G N 0.859 109.518 108.800 -0.235 0.000 2.155 131 G HA2 -0.232 3.728 3.960 0.000 0.000 0.257 131 G HA3 -0.232 3.728 3.960 0.000 0.000 0.257 131 G C -0.047 174.761 174.900 -0.153 0.000 0.983 131 G CA 0.611 45.595 45.100 -0.194 0.000 0.676 131 G HN 0.574 nan 8.290 nan 0.000 0.528 132 L N 1.166 122.296 121.223 -0.156 0.000 2.387 132 L HA 0.543 4.883 4.340 0.000 0.000 0.266 132 L C -1.278 175.597 176.870 0.008 0.000 1.059 132 L CA -2.392 52.413 54.840 -0.057 0.000 0.801 132 L CB 0.877 42.924 42.059 -0.019 0.000 1.223 132 L HN -0.061 nan 8.230 nan 0.000 0.456 133 P HA 0.126 nan 4.420 nan 0.000 0.272 133 P C -2.334 175.087 177.300 0.202 0.000 1.223 133 P CA -1.273 61.903 63.100 0.126 0.000 0.784 133 P CB 0.186 31.930 31.700 0.074 0.000 0.923 134 P HA -0.227 nan 4.420 nan 0.000 0.219 134 P C 1.622 178.958 177.300 0.060 0.000 1.158 134 P CA 2.410 65.538 63.100 0.047 0.000 0.895 134 P CB -0.510 31.217 31.700 0.046 0.000 0.792 135 G N -1.063 107.774 108.800 0.062 0.000 2.509 135 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 135 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 135 G C 1.506 176.432 174.900 0.043 0.000 1.124 135 G CA 0.175 45.300 45.100 0.042 0.000 0.776 135 G HN 0.276 nan 8.290 nan 0.000 0.547 136 R N -0.643 119.893 120.500 0.060 0.000 2.310 136 R HA 0.192 4.532 4.340 0.000 0.000 0.202 136 R C -0.432 175.897 176.300 0.048 0.000 0.933 136 R CA -0.037 56.090 56.100 0.045 0.000 1.054 136 R CB 0.516 30.838 30.300 0.036 0.000 0.985 136 R HN 0.196 nan 8.270 nan 0.000 0.489 137 V N 1.612 121.572 119.914 0.077 0.000 2.376 137 V HA 0.306 4.426 4.120 0.000 0.000 0.287 137 V C -0.454 175.674 176.094 0.058 0.000 1.015 137 V CA -0.718 61.630 62.300 0.079 0.000 0.834 137 V CB 1.934 33.849 31.823 0.154 0.000 1.001 137 V HN -0.226 nan 8.190 nan 0.000 0.428 138 V N 3.538 123.470 119.914 0.030 0.000 2.588 138 V HA 0.811 4.931 4.120 0.000 0.000 0.304 138 V C 0.593 176.690 176.094 0.005 0.000 1.042 138 V CA -0.431 61.875 62.300 0.010 0.000 0.877 138 V CB 2.016 33.832 31.823 -0.011 0.000 0.996 138 V HN 0.887 nan 8.190 nan 0.000 0.425 139 G N 1.489 110.290 108.800 0.002 0.000 2.389 139 G HA2 0.465 4.425 3.960 0.000 0.000 0.328 139 G HA3 0.465 4.425 3.960 0.000 0.000 0.328 139 G C 0.959 175.835 174.900 -0.040 0.000 1.133 139 G CA 0.245 45.344 45.100 -0.002 0.000 0.891 139 G HN 0.908 nan 8.290 nan 0.000 0.485 140 S N 1.225 116.891 115.700 -0.057 0.000 2.420 140 S HA 0.045 4.516 4.470 0.000 0.000 0.237 140 S C 2.043 176.563 174.600 -0.134 0.000 1.023 140 S CA 1.159 59.299 58.200 -0.100 0.000 0.991 140 S CB -0.868 62.268 63.200 -0.107 0.000 0.792 140 S HN 2.290 nan 8.310 nan 0.000 0.488 141 G N 1.605 110.325 108.800 -0.134 0.000 2.614 141 G HA2 -0.398 3.562 3.960 0.000 0.000 0.303 141 G HA3 -0.398 3.562 3.960 0.000 0.000 0.303 141 G C 0.673 175.401 174.900 -0.286 0.000 1.270 141 G CA 1.623 46.639 45.100 -0.140 0.000 0.988 141 G HN 1.369 nan 8.290 nan 0.000 0.551 142 T N -0.166 114.309 114.554 -0.133 0.000 3.206 142 T HA 0.460 4.810 4.350 0.000 0.000 0.253 142 T C 2.309 176.986 174.700 -0.039 0.000 1.042 142 T CA 0.996 63.047 62.100 -0.082 0.000 0.931 142 T CB -0.417 68.470 68.868 0.032 0.000 1.029 142 T HN 1.233 nan 8.240 nan 0.000 0.564 143 I N -1.397 119.139 120.570 -0.056 0.000 2.194 143 I HA -0.120 4.050 4.170 0.000 0.000 0.246 143 I C 1.912 178.044 176.117 0.027 0.000 1.093 143 I CA 1.254 62.565 61.300 0.018 0.000 1.355 143 I CB -0.677 37.327 38.000 0.007 0.000 1.046 143 I HN 0.124 nan 8.210 nan 0.000 0.413 144 L N 1.531 122.744 121.223 -0.016 0.000 2.093 144 L HA -0.156 4.184 4.340 0.000 0.000 0.208 144 L C 2.222 179.128 176.870 0.059 0.000 1.085 144 L CA 1.816 56.669 54.840 0.022 0.000 0.755 144 L CB -1.078 40.989 42.059 0.014 0.000 0.904 144 L HN 0.326 nan 8.230 nan 0.000 0.435 145 D N -1.634 118.807 120.400 0.068 0.000 2.149 145 D HA -0.117 4.523 4.640 0.000 0.000 0.201 145 D C 2.046 178.409 176.300 0.105 0.000 0.972 145 D CA 1.462 55.513 54.000 0.086 0.000 0.835 145 D CB -0.157 40.699 40.800 0.093 0.000 0.966 145 D HN 0.263 nan 8.370 nan 0.000 0.476 146 T N 1.045 115.669 114.554 0.117 0.000 2.746 146 T HA -0.115 4.235 4.350 0.000 0.000 0.267 146 T C 2.050 176.836 174.700 0.144 0.000 1.039 146 T CA 1.505 63.710 62.100 0.175 0.000 1.142 146 T CB -0.212 68.762 68.868 0.178 0.000 0.866 146 T HN 0.193 nan 8.240 nan 0.000 0.444 147 A N 1.533 124.413 122.820 0.100 0.000 1.933 147 A HA -0.089 4.231 4.320 0.000 0.000 0.218 147 A C 2.248 179.875 177.584 0.071 0.000 1.175 147 A CA 1.828 53.906 52.037 0.069 0.000 0.628 147 A CB -0.471 18.567 19.000 0.064 0.000 0.814 147 A HN 0.299 nan 8.150 nan 0.000 0.444 148 R N -1.062 119.495 120.500 0.095 0.000 2.092 148 R HA -0.062 4.278 4.340 0.000 0.000 0.231 148 R C 1.715 178.104 176.300 0.148 0.000 1.119 148 R CA 1.477 57.637 56.100 0.099 0.000 0.970 148 R CB -0.986 29.369 30.300 0.092 0.000 0.864 148 R HN 0.437 nan 8.270 nan 0.000 0.440 149 F N 1.246 121.166 119.950 -0.050 0.000 2.134 149 F HA -0.089 4.438 4.527 0.000 0.000 0.299 149 F C 1.679 177.407 175.800 -0.119 0.000 1.097 149 F CA 1.631 59.564 58.000 -0.112 0.000 1.264 149 F CB -0.293 38.610 39.000 -0.163 0.000 1.001 149 F HN -0.006 nan 8.300 nan 0.000 0.479 150 R N -0.126 120.321 120.500 -0.087 0.000 2.090 150 R HA -0.002 4.338 4.340 0.000 0.000 0.228 150 R C 2.456 178.695 176.300 -0.102 0.000 1.110 150 R CA 1.058 57.032 56.100 -0.211 0.000 0.973 150 R CB -0.783 29.423 30.300 -0.157 0.000 0.869 150 R HN 0.323 nan 8.270 nan 0.000 0.440 151 A N 1.445 124.252 122.820 -0.021 0.000 1.858 151 A HA -0.162 4.158 4.320 0.000 0.000 0.216 151 A C 2.023 179.624 177.584 0.028 0.000 1.190 151 A CA 1.154 53.195 52.037 0.007 0.000 0.617 151 A CB -0.511 18.507 19.000 0.030 0.000 0.827 151 A HN 0.091 nan 8.150 nan 0.000 0.443 152 L N -0.342 120.917 121.223 0.059 0.000 2.043 152 L HA -0.163 4.177 4.340 0.000 0.000 0.212 152 L C 2.520 179.449 176.870 0.099 0.000 1.075 152 L CA 1.540 56.440 54.840 0.099 0.000 0.752 152 L CB -1.013 41.131 42.059 0.142 0.000 0.891 152 L HN 0.395 nan 8.230 nan 0.000 0.432 153 L N -1.553 119.675 121.223 0.009 0.000 2.093 153 L HA -0.171 4.169 4.340 0.000 0.000 0.208 153 L C 2.550 179.444 176.870 0.040 0.000 1.085 153 L CA 1.029 55.861 54.840 -0.014 0.000 0.755 153 L CB -0.607 41.302 42.059 -0.249 0.000 0.904 153 L HN 0.268 nan 8.230 nan 0.000 0.435 154 A N -0.331 122.484 122.820 -0.008 0.000 1.898 154 A HA -0.236 4.084 4.320 0.000 0.000 0.216 154 A C 2.264 179.881 177.584 0.055 0.000 1.181 154 A CA 1.633 53.670 52.037 -0.000 0.000 0.620 154 A CB -0.451 18.529 19.000 -0.032 0.000 0.819 154 A HN 0.457 nan 8.150 nan 0.000 0.442 155 E N -1.414 118.830 120.200 0.073 0.000 2.058 155 E HA -0.262 4.088 4.350 0.000 0.000 0.194 155 E C 1.878 178.543 176.600 0.108 0.000 0.997 155 E CA 1.648 58.096 56.400 0.080 0.000 0.801 155 E CB -0.361 29.392 29.700 0.089 0.000 0.746 155 E HN 0.698 nan 8.360 nan 0.000 0.450 156 Y N 0.797 121.125 120.300 0.048 0.000 2.293 156 Y HA -0.085 4.465 4.550 0.000 0.000 0.291 156 Y C 1.883 177.827 175.900 0.073 0.000 1.137 156 Y CA 1.327 59.465 58.100 0.064 0.000 1.202 156 Y CB 0.086 38.597 38.460 0.087 0.000 0.990 156 Y HN 0.040 nan 8.280 nan 0.000 0.537 157 L N 0.037 121.394 121.223 0.223 0.000 2.492 157 L HA 0.044 4.384 4.340 0.000 0.000 0.223 157 L C 0.412 177.348 176.870 0.110 0.000 1.132 157 L CA 0.438 55.398 54.840 0.200 0.000 0.850 157 L CB -0.201 42.039 42.059 0.302 0.000 0.966 157 L HN 0.098 nan 8.230 nan 0.000 0.454 158 R N -0.538 119.993 120.500 0.052 0.000 3.267 158 R HA -0.133 4.207 4.340 0.000 0.000 0.254 158 R C -0.678 175.659 176.300 0.063 0.000 0.993 158 R CA 0.237 56.355 56.100 0.029 0.000 0.670 158 R CB -2.008 28.286 30.300 -0.010 0.000 1.125 158 R HN 0.185 nan 8.270 nan 0.000 0.434 159 V N -0.590 119.362 119.914 0.064 0.000 3.078 159 V HA 0.822 4.942 4.120 0.000 0.000 0.311 159 V C -0.526 175.566 176.094 -0.002 0.000 1.138 159 V CA -0.223 62.110 62.300 0.054 0.000 1.007 159 V CB 2.233 34.103 31.823 0.079 0.000 1.045 159 V HN 0.401 nan 8.190 nan 0.000 0.432 160 A N 5.181 127.989 122.820 -0.020 0.000 2.440 160 A HA 0.544 4.864 4.320 0.000 0.000 0.251 160 A C -1.734 175.810 177.584 -0.067 0.000 1.089 160 A CA -0.736 51.280 52.037 -0.035 0.000 0.779 160 A CB 0.093 19.073 19.000 -0.032 0.000 1.022 160 A HN 0.778 nan 8.150 nan 0.000 0.492 161 P HA -0.209 nan 4.420 nan 0.000 0.216 161 P C 1.010 178.259 177.300 -0.084 0.000 1.154 161 P CA 1.472 64.531 63.100 -0.068 0.000 0.865 161 P CB 0.130 31.808 31.700 -0.036 0.000 0.789 162 Q N -1.115 118.645 119.800 -0.067 0.000 2.297 162 Q HA -0.082 4.258 4.340 0.000 0.000 0.208 162 Q C 2.098 178.009 176.000 -0.148 0.000 0.981 162 Q CA 1.429 57.192 55.803 -0.067 0.000 0.876 162 Q CB -1.123 27.588 28.738 -0.046 0.000 0.921 162 Q HN 0.203 nan 8.270 nan 0.000 0.446 163 S N -0.718 114.869 115.700 -0.187 0.000 2.496 163 S HA 0.061 4.531 4.470 0.000 0.000 0.224 163 S C 0.380 174.742 174.600 -0.397 0.000 0.996 163 S CA -0.049 57.976 58.200 -0.290 0.000 0.927 163 S CB 0.379 63.435 63.200 -0.240 0.000 0.774 163 S HN 0.075 nan 8.310 nan 0.000 0.524 164 V N 2.794 122.526 119.914 -0.304 0.000 2.385 164 V HA 0.225 4.345 4.120 0.000 0.000 0.269 164 V C -0.329 175.643 176.094 -0.204 0.000 1.043 164 V CA -0.299 61.814 62.300 -0.311 0.000 0.906 164 V CB 0.240 31.889 31.823 -0.289 0.000 0.995 164 V HN 0.402 nan 8.190 nan 0.000 0.467 165 H N 3.824 122.678 119.070 -0.361 0.000 2.683 165 H HA 0.681 5.237 4.556 0.000 0.000 0.270 165 H C 0.106 175.086 175.328 -0.580 0.000 1.201 165 H CA -0.273 55.505 56.048 -0.451 0.000 1.277 165 H CB 1.208 30.759 29.762 -0.353 0.000 1.400 165 H HN 0.804 nan 8.280 nan 0.000 0.504 166 A N 3.090 125.574 122.820 -0.560 0.000 2.413 166 A HA 0.659 4.979 4.320 0.000 0.000 0.307 166 A C -1.742 175.561 177.584 -0.468 0.000 1.087 166 A CA -0.598 51.095 52.037 -0.574 0.000 0.750 166 A CB 1.383 19.856 19.000 -0.878 0.000 1.296 166 A HN 0.486 nan 8.150 nan 0.000 0.423 167 Y N -0.567 119.778 120.300 0.074 0.000 2.545 167 Y HA 0.601 5.151 4.550 0.000 0.000 0.348 167 Y C -0.260 175.732 175.900 0.154 0.000 1.002 167 Y CA -1.077 57.089 58.100 0.110 0.000 1.039 167 Y CB 2.402 40.874 38.460 0.019 0.000 1.271 167 Y HN 0.388 nan 8.280 nan 0.000 0.467 168 V N 4.420 124.489 119.914 0.258 0.000 2.443 168 V HA 0.481 4.601 4.120 0.000 0.000 0.293 168 V C -0.460 175.662 176.094 0.046 0.000 1.021 168 V CA -0.694 61.638 62.300 0.053 0.000 0.848 168 V CB 1.059 32.880 31.823 -0.003 0.000 0.998 168 V HN 0.571 nan 8.190 nan 0.000 0.424 169 L N 3.536 124.765 121.223 0.010 0.000 2.271 169 L HA 0.992 5.332 4.340 0.000 0.000 0.265 169 L C 1.081 177.942 176.870 -0.014 0.000 1.013 169 L CA -0.092 54.737 54.840 -0.019 0.000 0.820 169 L CB 1.716 43.752 42.059 -0.038 0.000 1.352 169 L HN 0.823 nan 8.230 nan 0.000 0.443 170 G N 0.683 109.468 108.800 -0.026 0.000 2.496 170 G HA2 -0.225 3.735 3.960 0.000 0.000 0.243 170 G HA3 -0.225 3.735 3.960 0.000 0.000 0.243 170 G C -0.381 174.519 174.900 -0.000 0.000 1.176 170 G CA -0.083 45.006 45.100 -0.018 0.000 0.940 170 G HN 0.744 nan 8.290 nan 0.000 0.573 171 E N 0.874 121.079 120.200 0.009 0.000 2.313 171 E HA 0.236 4.586 4.350 0.000 0.000 0.276 171 E C 0.036 176.680 176.600 0.072 0.000 1.031 171 E CA -0.443 55.973 56.400 0.028 0.000 0.857 171 E CB 0.233 29.938 29.700 0.007 0.000 1.040 171 E HN 0.586 nan 8.360 nan 0.000 0.408 172 H N 3.933 122.993 119.070 -0.016 0.000 3.205 172 H HA 0.324 4.880 4.556 0.000 0.000 0.262 172 H C -0.251 175.076 175.328 -0.002 0.000 1.333 172 H CA 0.290 56.332 56.048 -0.009 0.000 1.499 172 H CB -0.205 29.551 29.762 -0.012 0.000 1.609 172 H HN 0.685 nan 8.280 nan 0.000 0.498 173 G N 3.434 112.156 108.800 -0.130 0.000 2.335 173 G HA2 -0.166 3.794 3.960 0.000 0.000 0.291 173 G HA3 -0.166 3.794 3.960 0.000 0.000 0.291 173 G C -0.151 174.739 174.900 -0.017 0.000 1.261 173 G CA -0.273 44.745 45.100 -0.136 0.000 0.871 173 G HN 0.444 nan 8.290 nan 0.000 0.491 174 D N -0.495 119.932 120.400 0.044 0.000 2.309 174 D HA -0.035 4.605 4.640 0.000 0.000 0.212 174 D C 2.153 178.461 176.300 0.013 0.000 0.968 174 D CA 1.871 55.903 54.000 0.054 0.000 0.882 174 D CB 0.301 41.149 40.800 0.079 0.000 0.918 174 D HN 0.252 nan 8.370 nan 0.000 0.503 175 S N -0.506 115.198 115.700 0.007 0.000 2.593 175 S HA -0.031 4.439 4.470 0.000 0.000 0.217 175 S C 0.258 174.858 174.600 -0.000 0.000 0.966 175 S CA -0.405 57.796 58.200 0.002 0.000 0.914 175 S CB -0.291 62.910 63.200 0.002 0.000 0.776 175 S HN 0.351 nan 8.310 nan 0.000 0.523 176 E N 0.731 120.931 120.200 -0.000 0.000 2.436 176 E HA 0.137 4.487 4.350 0.000 0.000 0.262 176 E C -0.825 175.762 176.600 -0.022 0.000 1.063 176 E CA -0.265 56.133 56.400 -0.003 0.000 0.944 176 E CB 0.517 30.222 29.700 0.009 0.000 0.950 176 E HN 0.065 nan 8.360 nan 0.000 0.444 177 V N 3.667 123.565 119.914 -0.026 0.000 2.357 177 V HA 0.172 4.292 4.120 0.000 0.000 0.284 177 V C 0.092 176.136 176.094 -0.084 0.000 1.018 177 V CA -0.732 61.552 62.300 -0.028 0.000 0.841 177 V CB 0.944 32.770 31.823 0.005 0.000 0.991 177 V HN 0.553 nan 8.190 nan 0.000 0.437 178 L N 5.366 126.492 121.223 -0.163 0.000 2.278 178 L HA 0.354 4.694 4.340 0.000 0.000 0.287 178 L C -0.028 176.742 176.870 -0.166 0.000 1.072 178 L CA -0.458 54.111 54.840 -0.451 0.000 0.819 178 L CB 1.366 42.886 42.059 -0.898 0.000 1.176 178 L HN 0.391 nan 8.230 nan 0.000 0.435 179 V N 3.827 123.747 119.914 0.011 0.000 2.287 179 V HA -0.006 4.114 4.120 0.000 0.000 0.246 179 V C 0.530 176.736 176.094 0.187 0.000 1.165 179 V CA -0.010 62.379 62.300 0.148 0.000 1.088 179 V CB -0.189 31.751 31.823 0.196 0.000 1.242 179 V HN 0.787 nan 8.190 nan 0.000 0.497 180 W N 2.087 123.516 121.300 0.216 0.000 2.443 180 W HA -0.136 4.524 4.660 0.000 0.000 0.296 180 W C 2.754 179.339 176.519 0.111 0.000 1.202 180 W CA 1.310 58.773 57.345 0.196 0.000 1.312 180 W CB -0.467 29.081 29.460 0.146 0.000 1.120 180 W HN 0.659 nan 8.180 nan 0.000 0.536 181 S N 0.357 116.256 115.700 0.331 0.000 2.372 181 S HA -0.264 4.206 4.470 0.000 0.000 0.227 181 S C 1.705 176.396 174.600 0.152 0.000 1.044 181 S CA 2.021 60.343 58.200 0.203 0.000 1.050 181 S CB -1.164 62.129 63.200 0.156 0.000 0.901 181 S HN 0.208 nan 8.310 nan 0.000 0.447 182 S N 1.033 116.817 115.700 0.141 0.000 2.539 182 S HA 0.682 5.152 4.470 0.000 0.000 0.221 182 S C 0.650 175.288 174.600 0.063 0.000 0.987 182 S CA -0.076 58.186 58.200 0.104 0.000 0.929 182 S CB -0.285 62.984 63.200 0.115 0.000 0.832 182 S HN 0.851 nan 8.310 nan 0.000 0.492 183 A N 1.213 124.061 122.820 0.045 0.000 2.561 183 A HA 0.418 4.738 4.320 0.000 0.000 0.234 183 A C 0.209 177.744 177.584 -0.082 0.000 1.055 183 A CA 0.318 52.309 52.037 -0.076 0.000 0.756 183 A CB 0.051 18.966 19.000 -0.142 0.000 0.986 183 A HN 0.600 nan 8.150 nan 0.000 0.505 184 Q N -0.169 119.538 119.800 -0.154 0.000 2.421 184 Q HA 0.650 4.990 4.340 0.000 0.000 0.280 184 Q C -1.640 174.191 176.000 -0.281 0.000 1.085 184 Q CA -0.574 55.134 55.803 -0.158 0.000 0.807 184 Q CB 2.756 31.433 28.738 -0.100 0.000 1.405 184 Q HN 0.575 nan 8.270 nan 0.000 0.419 185 V N 1.445 121.149 119.914 -0.350 0.000 2.482 185 V HA 0.548 4.668 4.120 0.000 0.000 0.295 185 V C 0.493 176.292 176.094 -0.492 0.000 1.026 185 V CA -0.063 61.880 62.300 -0.595 0.000 0.856 185 V CB 1.418 32.551 31.823 -1.150 0.000 1.001 185 V HN 0.998 nan 8.190 nan 0.000 0.424 186 G N 3.391 111.951 108.800 -0.400 0.000 2.283 186 G HA2 0.038 3.998 3.960 0.000 0.000 0.280 186 G HA3 0.038 3.998 3.960 0.000 0.000 0.280 186 G C 1.212 176.021 174.900 -0.151 0.000 1.029 186 G CA 0.827 45.788 45.100 -0.231 0.000 0.840 186 G HN 2.431 nan 8.290 nan 0.000 0.505 187 G N -3.259 105.430 108.800 -0.186 0.000 2.168 187 G HA2 -0.030 3.930 3.960 0.000 0.000 0.263 187 G HA3 -0.030 3.930 3.960 0.000 0.000 0.263 187 G C 0.391 175.266 174.900 -0.042 0.000 0.977 187 G CA 0.726 45.770 45.100 -0.094 0.000 0.659 187 G HN 1.652 nan 8.290 nan 0.000 0.533 188 V N 1.092 120.980 119.914 -0.043 0.000 2.581 188 V HA 0.529 4.649 4.120 0.000 0.000 0.303 188 V C -1.928 174.181 176.094 0.024 0.000 1.041 188 V CA -1.916 60.402 62.300 0.029 0.000 0.907 188 V CB 2.095 33.995 31.823 0.128 0.000 0.994 188 V HN 0.026 nan 8.190 nan 0.000 0.442 189 P HA -0.034 nan 4.420 nan 0.000 0.260 189 P C 0.703 178.055 177.300 0.088 0.000 1.172 189 P CA 0.190 63.325 63.100 0.057 0.000 0.760 189 P CB 0.442 32.182 31.700 0.067 0.000 0.773 190 L N 5.646 126.903 121.223 0.057 0.000 2.021 190 L HA -0.233 4.107 4.340 0.000 0.000 0.215 190 L C 1.744 178.717 176.870 0.171 0.000 1.074 190 L CA 2.026 56.915 54.840 0.082 0.000 0.760 190 L CB -0.955 41.134 42.059 0.050 0.000 0.889 190 L HN 0.378 nan 8.230 nan 0.000 0.433 191 L N -1.040 120.270 121.223 0.145 0.000 2.093 191 L HA -0.175 4.165 4.340 0.000 0.000 0.208 191 L C 2.539 179.484 176.870 0.126 0.000 1.085 191 L CA 1.409 56.328 54.840 0.133 0.000 0.755 191 L CB -0.665 41.453 42.059 0.097 0.000 0.904 191 L HN 0.400 nan 8.230 nan 0.000 0.435 192 E N -0.086 120.188 120.200 0.123 0.000 2.028 192 E HA -0.249 4.101 4.350 0.000 0.000 0.191 192 E C 2.052 178.725 176.600 0.123 0.000 0.988 192 E CA 1.322 57.782 56.400 0.100 0.000 0.799 192 E CB -0.228 29.527 29.700 0.091 0.000 0.755 192 E HN 0.324 nan 8.360 nan 0.000 0.447 193 F N 1.793 121.755 119.950 0.021 0.000 2.202 193 F HA -0.219 4.308 4.527 0.000 0.000 0.301 193 F C 2.139 177.957 175.800 0.030 0.000 1.082 193 F CA 1.297 59.306 58.000 0.015 0.000 1.313 193 F CB -0.233 38.768 39.000 0.002 0.000 1.024 193 F HN -0.057 nan 8.300 nan 0.000 0.495 194 A N 0.317 123.324 122.820 0.312 0.000 1.877 194 A HA -0.219 4.101 4.320 0.000 0.000 0.216 194 A C 2.011 179.635 177.584 0.066 0.000 1.186 194 A CA 1.845 54.024 52.037 0.237 0.000 0.620 194 A CB -0.882 18.262 19.000 0.240 0.000 0.822 194 A HN 0.577 nan 8.150 nan 0.000 0.443 195 E N -0.081 120.143 120.200 0.040 0.000 2.511 195 E HA 0.146 4.496 4.350 0.000 0.000 0.196 195 E C 1.686 178.244 176.600 -0.071 0.000 1.066 195 E CA 0.328 56.726 56.400 -0.003 0.000 0.871 195 E CB -0.158 29.550 29.700 0.013 0.000 0.863 195 E HN 0.624 nan 8.360 nan 0.000 0.520 196 A N 1.857 124.581 122.820 -0.161 0.000 2.119 196 A HA -0.046 4.274 4.320 0.000 0.000 0.216 196 A C 1.152 178.586 177.584 -0.249 0.000 1.152 196 A CA 0.438 52.327 52.037 -0.245 0.000 0.708 196 A CB -0.110 18.625 19.000 -0.440 0.000 0.805 196 A HN 0.206 nan 8.150 nan 0.000 0.460 201 L N 2.265 123.535 121.223 0.078 0.000 2.276 201 L HA 0.483 4.823 4.340 0.000 0.000 0.286 201 L C 0.803 177.628 176.870 -0.075 0.000 1.024 201 L CA -0.422 54.394 54.840 -0.040 0.000 0.826 201 L CB 1.593 43.593 42.059 -0.098 0.000 1.211 201 L HN 0.899 nan 8.230 nan 0.000 0.422 202 S N 3.017 118.683 115.700 -0.057 0.000 2.603 202 S HA 0.317 4.787 4.470 0.000 0.000 0.268 202 S C -1.868 172.657 174.600 -0.125 0.000 1.317 202 S CA -1.154 57.008 58.200 -0.063 0.000 1.012 202 S CB 1.063 64.253 63.200 -0.016 0.000 0.926 202 S HN 0.383 nan 8.310 nan 0.000 0.539 203 P HA -0.111 nan 4.420 nan 0.000 0.218 203 P C 1.223 178.449 177.300 -0.125 0.000 1.146 203 P CA 1.198 64.209 63.100 -0.149 0.000 0.813 203 P CB 0.082 31.715 31.700 -0.111 0.000 0.778 204 E N -0.632 119.520 120.200 -0.080 0.000 2.072 204 E HA -0.159 4.191 4.350 0.000 0.000 0.190 204 E C 1.525 178.094 176.600 -0.052 0.000 0.982 204 E CA 0.835 57.205 56.400 -0.049 0.000 0.803 204 E CB -0.204 29.484 29.700 -0.019 0.000 0.755 204 E HN 0.166 nan 8.360 nan 0.000 0.453 205 D N 0.371 120.723 120.400 -0.079 0.000 2.092 205 D HA -0.167 4.473 4.640 0.000 0.000 0.193 205 D C 2.075 178.316 176.300 -0.098 0.000 0.994 205 D CA 1.017 54.946 54.000 -0.118 0.000 0.828 205 D CB -0.188 40.436 40.800 -0.292 0.000 0.963 205 D HN 0.140 nan 8.370 nan 0.000 0.450 206 R N 0.733 121.125 120.500 -0.181 0.000 2.083 206 R HA -0.094 4.246 4.340 0.000 0.000 0.237 206 R C 2.387 178.672 176.300 -0.026 0.000 1.137 206 R CA 1.300 57.264 56.100 -0.227 0.000 0.951 206 R CB -0.321 29.543 30.300 -0.727 0.000 0.851 206 R HN 0.101 nan 8.270 nan 0.000 0.434 207 A N 1.138 123.916 122.820 -0.071 0.000 1.902 207 A HA -0.210 4.110 4.320 0.000 0.000 0.217 207 A C 2.144 179.746 177.584 0.029 0.000 1.181 207 A CA 1.489 53.515 52.037 -0.019 0.000 0.623 207 A CB -0.511 18.465 19.000 -0.040 0.000 0.818 207 A HN 0.257 nan 8.150 nan 0.000 0.443 208 R N -0.381 120.137 120.500 0.030 0.000 2.096 208 R HA -0.061 4.279 4.340 0.000 0.000 0.235 208 R C 1.872 178.225 176.300 0.089 0.000 1.127 208 R CA 1.683 57.813 56.100 0.050 0.000 0.968 208 R CB -0.339 29.989 30.300 0.047 0.000 0.861 208 R HN 0.569 nan 8.270 nan 0.000 0.440 209 I N 0.592 121.248 120.570 0.143 0.000 2.353 209 I HA -0.231 3.939 4.170 0.000 0.000 0.248 209 I C 2.271 178.495 176.117 0.178 0.000 1.119 209 I CA 1.120 62.545 61.300 0.208 0.000 1.417 209 I CB -0.424 37.800 38.000 0.372 0.000 1.078 209 I HN 0.319 nan 8.210 nan 0.000 0.421 210 D N 1.082 121.601 120.400 0.198 0.000 2.123 210 D HA -0.276 4.364 4.640 0.000 0.000 0.196 210 D C 1.999 178.321 176.300 0.037 0.000 0.992 210 D CA 1.457 55.524 54.000 0.112 0.000 0.833 210 D CB 0.095 40.971 40.800 0.127 0.000 0.954 210 D HN 0.407 nan 8.370 nan 0.000 0.455 211 E N -0.326 119.897 120.200 0.038 0.000 2.152 211 E HA -0.098 4.252 4.350 0.000 0.000 0.192 211 E C 2.056 178.672 176.600 0.026 0.000 0.983 211 E CA 0.928 57.335 56.400 0.012 0.000 0.818 211 E CB -0.196 29.507 29.700 0.004 0.000 0.758 211 E HN 0.307 nan 8.360 nan 0.000 0.467 212 G N 0.645 109.475 108.800 0.049 0.000 2.418 212 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 212 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 212 G C 1.602 176.534 174.900 0.055 0.000 1.158 212 G CA 0.915 46.050 45.100 0.059 0.000 0.771 212 G HN 0.203 nan 8.290 nan 0.000 0.545 213 V N 0.312 120.249 119.914 0.038 0.000 2.255 213 V HA -0.043 4.077 4.120 0.000 0.000 0.243 213 V C 2.741 178.847 176.094 0.021 0.000 1.038 213 V CA 1.911 64.222 62.300 0.018 0.000 1.008 213 V CB -0.474 31.305 31.823 -0.074 0.000 0.645 213 V HN 0.325 nan 8.190 nan 0.000 0.449 214 R N -0.079 120.420 120.500 -0.002 0.000 2.096 214 R HA -0.103 4.237 4.340 0.000 0.000 0.235 214 R C 1.983 178.316 176.300 0.055 0.000 1.127 214 R CA 1.149 57.256 56.100 0.011 0.000 0.968 214 R CB 0.029 30.315 30.300 -0.025 0.000 0.861 214 R HN 0.289 nan 8.270 nan 0.000 0.440 215 R N -0.346 120.176 120.500 0.037 0.000 2.388 215 R HA 0.182 4.522 4.340 0.000 0.000 0.247 215 R C 1.366 177.756 176.300 0.149 0.000 0.931 215 R CA 0.499 56.638 56.100 0.065 0.000 1.082 215 R CB 0.394 30.666 30.300 -0.046 0.000 1.135 215 R HN 0.222 nan 8.270 nan 0.000 0.525 216 A N 1.354 124.246 122.820 0.121 0.000 1.877 216 A HA -0.097 4.223 4.320 0.000 0.000 0.216 216 A C 2.317 179.963 177.584 0.104 0.000 1.186 216 A CA 1.773 53.870 52.037 0.099 0.000 0.620 216 A CB -0.450 18.599 19.000 0.080 0.000 0.822 216 A HN 0.291 nan 8.150 nan 0.000 0.443 217 A N -1.313 121.569 122.820 0.103 0.000 1.908 217 A HA -0.124 4.196 4.320 0.000 0.000 0.218 217 A C 2.086 179.660 177.584 -0.018 0.000 1.181 217 A CA 1.753 53.797 52.037 0.011 0.000 0.627 217 A CB -0.851 18.098 19.000 -0.084 0.000 0.818 217 A HN 0.604 nan 8.150 nan 0.000 0.445 218 Y N -0.225 120.064 120.300 -0.017 0.000 2.145 218 Y HA -0.169 4.381 4.550 0.000 0.000 0.286 218 Y C 2.686 178.584 175.900 -0.004 0.000 1.145 218 Y CA 1.830 59.922 58.100 -0.013 0.000 1.148 218 Y CB -0.375 38.076 38.460 -0.014 0.000 0.981 218 Y HN 0.222 nan 8.280 nan 0.000 0.507 219 R N -0.097 120.505 120.500 0.170 0.000 2.096 219 R HA -0.137 4.203 4.340 0.000 0.000 0.235 219 R C 2.145 178.480 176.300 0.058 0.000 1.127 219 R CA 1.788 57.945 56.100 0.095 0.000 0.968 219 R CB -0.574 29.772 30.300 0.076 0.000 0.861 219 R HN 0.378 nan 8.270 nan 0.000 0.440 220 I N 0.553 121.149 120.570 0.043 0.000 2.252 220 I HA -0.242 3.928 4.170 0.000 0.000 0.245 220 I C 2.129 178.248 176.117 0.003 0.000 1.102 220 I CA 0.908 62.216 61.300 0.013 0.000 1.385 220 I CB -0.216 37.781 38.000 -0.007 0.000 1.064 220 I HN 0.081 nan 8.210 nan 0.000 0.414 221 I N 0.700 121.265 120.570 -0.009 0.000 2.252 221 I HA -0.237 3.933 4.170 0.000 0.000 0.245 221 I C 2.580 178.701 176.117 0.006 0.000 1.102 221 I CA 1.451 62.740 61.300 -0.018 0.000 1.385 221 I CB -1.239 36.721 38.000 -0.066 0.000 1.064 221 I HN 0.261 nan 8.210 nan 0.000 0.414 222 E N 1.388 121.602 120.200 0.024 0.000 2.058 222 E HA -0.171 4.179 4.350 0.000 0.000 0.194 222 E C 2.137 178.755 176.600 0.031 0.000 0.997 222 E CA 1.845 58.267 56.400 0.036 0.000 0.801 222 E CB -0.576 29.159 29.700 0.058 0.000 0.746 222 E HN 0.400 nan 8.360 nan 0.000 0.450 223 G N -0.813 108.006 108.800 0.032 0.000 2.838 223 G HA2 -0.055 3.905 3.960 0.000 0.000 0.210 223 G HA3 -0.055 3.905 3.960 0.000 0.000 0.210 223 G C 1.415 176.334 174.900 0.032 0.000 1.153 223 G CA 0.449 45.568 45.100 0.031 0.000 0.778 223 G HN 0.259 nan 8.290 nan 0.000 0.539 224 K N -0.981 119.437 120.400 0.030 0.000 2.538 224 K HA 0.287 4.607 4.320 0.000 0.000 0.215 224 K C 1.448 178.075 176.600 0.046 0.000 1.345 224 K CA 0.818 57.129 56.287 0.039 0.000 0.985 224 K CB 0.397 32.913 32.500 0.026 0.000 1.116 224 K HN 0.265 nan 8.250 nan 0.000 0.582 225 G N 0.908 109.726 108.800 0.030 0.000 2.148 225 G HA2 -0.183 3.777 3.960 0.000 0.000 0.254 225 G HA3 -0.183 3.777 3.960 0.000 0.000 0.254 225 G C -0.018 174.904 174.900 0.037 0.000 0.981 225 G CA 0.375 45.491 45.100 0.027 0.000 0.670 225 G HN 0.827 nan 8.290 nan 0.000 0.528 226 A N -1.954 120.896 122.820 0.050 0.000 2.592 226 A HA 0.835 5.155 4.320 0.000 0.000 0.300 226 A C -0.247 177.368 177.584 0.052 0.000 0.994 226 A CA 0.678 52.766 52.037 0.085 0.000 0.707 226 A CB 0.169 19.263 19.000 0.157 0.000 1.273 226 A HN 2.047 nan 8.150 nan 0.000 0.413 227 T N -0.906 113.668 114.554 0.033 0.000 2.885 227 T HA 0.781 5.131 4.350 0.000 0.000 0.285 227 T C -0.039 174.650 174.700 -0.019 0.000 1.019 227 T CA 0.315 62.341 62.100 -0.123 0.000 1.010 227 T CB 1.261 70.095 68.868 -0.056 0.000 1.022 227 T HN 1.868 nan 8.240 nan 0.000 0.466 228 Y N -1.571 118.663 120.300 -0.110 0.000 2.592 228 Y HA 0.258 4.808 4.550 0.000 0.000 0.309 228 Y C 1.211 177.082 175.900 -0.049 0.000 0.928 228 Y CA -0.799 57.230 58.100 -0.119 0.000 0.941 228 Y CB -0.522 37.816 38.460 -0.204 0.000 1.422 228 Y HN 0.488 nan 8.280 nan 0.000 0.579 229 Y N 2.344 122.515 120.300 -0.215 0.000 2.114 229 Y HA 0.087 4.637 4.550 0.000 0.000 0.284 229 Y C 2.677 178.568 175.900 -0.014 0.000 1.143 229 Y CA 1.728 59.798 58.100 -0.049 0.000 1.135 229 Y CB -0.990 37.400 38.460 -0.116 0.000 0.980 229 Y HN 0.331 nan 8.280 nan 0.000 0.499 230 G N -0.189 108.685 108.800 0.122 0.000 2.433 230 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 230 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 230 G C 1.718 176.652 174.900 0.057 0.000 1.186 230 G CA 1.132 46.277 45.100 0.075 0.000 0.779 230 G HN 0.356 nan 8.290 nan 0.000 0.543 231 I N 1.998 122.597 120.570 0.048 0.000 2.361 231 I HA 0.041 4.211 4.170 0.000 0.000 0.251 231 I C 2.687 178.827 176.117 0.040 0.000 1.133 231 I CA 1.255 62.573 61.300 0.029 0.000 1.413 231 I CB -0.720 37.299 38.000 0.031 0.000 1.073 231 I HN 0.097 nan 8.210 nan 0.000 0.424 232 G N -0.022 108.829 108.800 0.085 0.000 2.421 232 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 232 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 232 G C 1.712 176.648 174.900 0.061 0.000 1.171 232 G CA 0.766 45.923 45.100 0.095 0.000 0.775 232 G HN 0.573 nan 8.290 nan 0.000 0.543 233 A N 0.639 123.496 122.820 0.062 0.000 1.970 233 A HA 0.284 4.604 4.320 0.000 0.000 0.216 233 A C 2.656 180.236 177.584 -0.005 0.000 1.170 233 A CA 1.779 53.832 52.037 0.026 0.000 0.645 233 A CB -0.851 18.166 19.000 0.028 0.000 0.816 233 A HN 0.484 nan 8.150 nan 0.000 0.447 234 G N 0.223 109.019 108.800 -0.008 0.000 2.433 234 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 234 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 234 G C 1.548 176.398 174.900 -0.084 0.000 1.186 234 G CA 1.096 46.170 45.100 -0.043 0.000 0.779 234 G HN 0.415 nan 8.290 nan 0.000 0.543 235 L N 0.798 121.984 121.223 -0.061 0.000 2.042 235 L HA -0.106 4.234 4.340 0.000 0.000 0.210 235 L C 3.449 180.271 176.870 -0.080 0.000 1.076 235 L CA 1.058 55.853 54.840 -0.075 0.000 0.749 235 L CB -0.462 41.571 42.059 -0.043 0.000 0.893 235 L HN 0.314 nan 8.230 nan 0.000 0.432 236 A N 0.083 122.872 122.820 -0.053 0.000 1.917 236 A HA -0.289 4.031 4.320 0.000 0.000 0.219 236 A C 2.346 179.885 177.584 -0.076 0.000 1.182 236 A CA 2.115 54.121 52.037 -0.053 0.000 0.633 236 A CB -0.516 18.465 19.000 -0.033 0.000 0.819 236 A HN 0.292 nan 8.150 nan 0.000 0.448 237 R N -0.082 120.364 120.500 -0.090 0.000 2.075 237 R HA 0.028 4.368 4.340 0.000 0.000 0.232 237 R C 1.937 178.110 176.300 -0.212 0.000 1.126 237 R CA 1.537 57.570 56.100 -0.112 0.000 0.963 237 R CB -0.766 29.478 30.300 -0.092 0.000 0.858 237 R HN 0.531 nan 8.270 nan 0.000 0.435 238 L N -0.471 120.580 121.223 -0.286 0.000 2.083 238 L HA -0.143 4.197 4.340 0.000 0.000 0.209 238 L C 2.207 178.963 176.870 -0.190 0.000 1.083 238 L CA 0.948 55.576 54.840 -0.353 0.000 0.752 238 L CB -0.414 41.465 42.059 -0.299 0.000 0.899 238 L HN 0.053 nan 8.230 nan 0.000 0.433 239 V N -0.064 119.773 119.914 -0.128 0.000 2.515 239 V HA -0.271 3.849 4.120 0.000 0.000 0.250 239 V C 2.639 178.694 176.094 -0.066 0.000 1.058 239 V CA 1.806 64.056 62.300 -0.083 0.000 1.064 239 V CB -0.615 31.169 31.823 -0.065 0.000 0.675 239 V HN 0.452 nan 8.190 nan 0.000 0.461 240 R N 0.417 120.876 120.500 -0.069 0.000 2.092 240 R HA -0.084 4.256 4.340 0.000 0.000 0.231 240 R C 2.228 178.517 176.300 -0.019 0.000 1.119 240 R CA 1.486 57.562 56.100 -0.040 0.000 0.970 240 R CB -0.425 29.855 30.300 -0.033 0.000 0.864 240 R HN 0.455 nan 8.270 nan 0.000 0.440 241 A N 0.883 123.686 122.820 -0.028 0.000 1.902 241 A HA -0.108 4.212 4.320 0.000 0.000 0.217 241 A C 2.115 179.707 177.584 0.015 0.000 1.181 241 A CA 1.383 53.438 52.037 0.030 0.000 0.623 241 A CB -0.452 18.583 19.000 0.058 0.000 0.818 241 A HN 0.364 nan 8.150 nan 0.000 0.443 242 I N -0.955 119.605 120.570 -0.017 0.000 2.163 242 I HA -0.203 3.967 4.170 0.000 0.000 0.240 242 I C 2.231 178.344 176.117 -0.006 0.000 1.081 242 I CA 0.792 62.085 61.300 -0.011 0.000 1.353 242 I CB -0.320 37.664 38.000 -0.027 0.000 1.054 242 I HN 0.203 nan 8.210 nan 0.000 0.407 243 L N 0.585 121.801 121.223 -0.012 0.000 2.079 243 L HA -0.185 4.155 4.340 0.000 0.000 0.210 243 L C 2.521 179.391 176.870 -0.000 0.000 1.081 243 L CA 2.323 57.158 54.840 -0.008 0.000 0.752 243 L CB -1.222 40.828 42.059 -0.014 0.000 0.896 243 L HN 0.440 nan 8.230 nan 0.000 0.433 244 T N -5.337 109.219 114.554 0.004 0.000 3.105 244 T HA 0.107 4.457 4.350 0.000 0.000 0.253 244 T C 0.688 175.398 174.700 0.016 0.000 1.047 244 T CA 0.198 62.304 62.100 0.010 0.000 0.944 244 T CB -0.260 68.616 68.868 0.012 0.000 1.016 244 T HN 0.218 nan 8.240 nan 0.000 0.544 245 D N 1.641 122.051 120.400 0.017 0.000 2.697 245 D HA -0.200 4.440 4.640 0.000 0.000 0.235 245 D C 0.741 177.058 176.300 0.028 0.000 1.167 245 D CA 0.900 54.912 54.000 0.021 0.000 0.656 245 D CB -1.301 39.508 40.800 0.015 0.000 1.025 245 D HN 0.747 nan 8.370 nan 0.000 0.419 246 E N 0.820 121.045 120.200 0.042 0.000 2.110 246 E HA -0.244 4.106 4.350 0.000 0.000 0.193 246 E C 0.623 177.249 176.600 0.043 0.000 0.988 246 E CA 1.313 57.744 56.400 0.052 0.000 0.804 246 E CB 0.142 29.896 29.700 0.091 0.000 0.745 246 E HN 0.300 nan 8.360 nan 0.000 0.458 247 K N -0.898 119.533 120.400 0.051 0.000 3.160 247 K HA -0.144 4.176 4.320 0.000 0.000 0.280 247 K C -0.028 176.577 176.600 0.008 0.000 1.154 247 K CA 0.856 57.161 56.287 0.030 0.000 0.822 247 K CB -2.507 30.000 32.500 0.012 0.000 1.239 247 K HN 0.333 nan 8.250 nan 0.000 0.489 248 G N 0.182 109.005 108.800 0.038 0.000 2.476 248 G HA2 0.435 4.395 3.960 0.000 0.000 0.269 248 G HA3 0.435 4.395 3.960 0.000 0.000 0.269 248 G C 0.086 174.826 174.900 -0.266 0.000 1.195 248 G CA -0.557 44.471 45.100 -0.120 0.000 0.843 248 G HN 0.028 nan 8.290 nan 0.000 0.545 249 V N 1.674 121.323 119.914 -0.441 0.000 2.461 249 V HA 0.354 4.474 4.120 0.000 0.000 0.275 249 V C -0.757 174.959 176.094 -0.629 0.000 1.047 249 V CA -0.077 61.998 62.300 -0.375 0.000 0.955 249 V CB -0.190 31.487 31.823 -0.244 0.000 0.988 249 V HN 0.562 nan 8.190 nan 0.000 0.471 250 Y N 1.236 121.508 120.300 -0.047 0.000 2.524 250 Y HA 0.430 4.980 4.550 0.000 0.000 0.347 250 Y C 0.631 176.488 175.900 -0.072 0.000 1.005 250 Y CA -1.172 56.906 58.100 -0.035 0.000 1.025 250 Y CB 2.087 40.525 38.460 -0.037 0.000 1.275 250 Y HN 0.608 nan 8.280 nan 0.000 0.460 251 T N 0.415 115.037 114.554 0.113 0.000 3.414 251 T HA 0.511 4.861 4.350 0.000 0.000 0.304 251 T C -0.250 174.453 174.700 0.006 0.000 1.241 251 T CA -0.514 61.584 62.100 -0.002 0.000 1.076 251 T CB -1.478 67.400 68.868 0.017 0.000 1.134 251 T HN 0.485 nan 8.240 nan 0.000 0.759 252 V N -0.175 119.736 119.914 -0.005 0.000 2.881 252 V HA 0.795 4.915 4.120 0.000 0.000 0.316 252 V C 0.316 176.384 176.094 -0.043 0.000 1.070 252 V CA -1.174 61.111 62.300 -0.025 0.000 0.976 252 V CB 1.662 33.476 31.823 -0.016 0.000 1.038 252 V HN 0.576 nan 8.190 nan 0.000 0.446 253 S N 1.353 117.030 115.700 -0.039 0.000 2.537 253 S HA 0.819 5.289 4.470 0.000 0.000 0.275 253 S C -0.153 174.433 174.600 -0.024 0.000 1.272 253 S CA 0.344 58.523 58.200 -0.034 0.000 1.050 253 S CB 0.401 63.589 63.200 -0.020 0.000 0.961 253 S HN 1.908 nan 8.310 nan 0.000 0.496 254 A N 3.698 126.497 122.820 -0.035 0.000 2.612 254 A HA 0.616 4.936 4.320 0.000 0.000 0.293 254 A C -1.052 176.506 177.584 -0.044 0.000 1.075 254 A CA -0.820 51.205 52.037 -0.021 0.000 0.680 254 A CB 0.540 19.525 19.000 -0.025 0.000 1.279 254 A HN 0.889 nan 8.150 nan 0.000 0.411 255 F N 1.927 121.730 119.950 -0.246 0.000 2.578 255 F HA 0.450 4.977 4.527 0.000 0.000 0.381 255 F C 0.305 175.952 175.800 -0.254 0.000 1.069 255 F CA 1.220 59.008 58.000 -0.354 0.000 1.231 255 F CB 0.623 39.101 39.000 -0.869 0.000 1.086 255 F HN 0.462 nan 8.300 nan 0.000 0.564 256 T N 8.349 122.485 114.554 -0.697 0.000 2.824 256 T HA 0.268 4.618 4.350 0.000 0.000 0.282 256 T C -1.947 172.393 174.700 -0.599 0.000 0.993 256 T CA -1.126 60.703 62.100 -0.453 0.000 0.967 256 T CB 1.896 70.601 68.868 -0.271 0.000 0.960 256 T HN 0.327 nan 8.240 nan 0.000 0.441 257 P HA -0.034 nan 4.420 nan 0.000 0.215 257 P C 0.274 177.476 177.300 -0.163 0.000 1.157 257 P CA 1.094 64.087 63.100 -0.178 0.000 0.868 257 P CB 0.399 32.085 31.700 -0.022 0.000 0.788 258 E N -0.774 119.354 120.200 -0.120 0.000 2.347 258 E HA 0.356 4.706 4.350 0.000 0.000 0.285 258 E C -2.047 174.517 176.600 -0.061 0.000 0.925 258 E CA -0.789 55.560 56.400 -0.085 0.000 0.779 258 E CB 2.196 31.869 29.700 -0.044 0.000 1.233 258 E HN -0.195 nan 8.360 nan 0.000 0.414 259 V N 4.141 124.017 119.914 -0.063 0.000 2.488 259 V HA 0.396 4.516 4.120 0.000 0.000 0.293 259 V C -0.516 175.562 176.094 -0.027 0.000 1.027 259 V CA -0.150 62.129 62.300 -0.035 0.000 0.862 259 V CB 1.203 32.994 31.823 -0.055 0.000 1.008 259 V HN 0.875 nan 8.190 nan 0.000 0.428 260 E N 4.730 124.924 120.200 -0.011 0.000 2.360 260 E HA -0.166 4.184 4.350 0.000 0.000 0.238 260 E C 1.134 177.728 176.600 -0.010 0.000 1.186 260 E CA 1.866 58.262 56.400 -0.007 0.000 0.719 260 E CB -1.279 28.419 29.700 -0.003 0.000 1.236 260 E HN 2.176 nan 8.360 nan 0.000 0.386 261 G N -2.125 106.667 108.800 -0.013 0.000 2.299 261 G HA2 -0.328 3.632 3.960 0.000 0.000 0.237 261 G HA3 -0.328 3.632 3.960 0.000 0.000 0.237 261 G C 0.379 175.274 174.900 -0.009 0.000 1.027 261 G CA 0.280 45.375 45.100 -0.007 0.000 0.619 261 G HN 1.181 nan 8.290 nan 0.000 0.513 262 V N 3.033 122.933 119.914 -0.023 0.000 2.498 262 V HA 0.703 4.823 4.120 0.000 0.000 0.279 262 V C 0.632 176.687 176.094 -0.065 0.000 1.048 262 V CA -0.787 61.493 62.300 -0.034 0.000 0.967 262 V CB 0.939 32.732 31.823 -0.050 0.000 0.988 262 V HN 0.400 nan 8.190 nan 0.000 0.473 263 L N 5.496 126.688 121.223 -0.052 0.000 2.379 263 L HA 0.541 4.881 4.340 0.000 0.000 0.269 263 L C 0.689 177.470 176.870 -0.148 0.000 1.084 263 L CA -0.792 54.003 54.840 -0.075 0.000 0.802 263 L CB 0.899 42.957 42.059 -0.001 0.000 1.175 263 L HN 0.759 nan 8.230 nan 0.000 0.448 264 E N 0.196 120.243 120.200 -0.255 0.000 2.246 264 E HA -0.201 4.149 4.350 0.000 0.000 0.173 264 E C -0.837 175.477 176.600 -0.477 0.000 1.532 264 E CA 0.097 56.200 56.400 -0.497 0.000 0.672 264 E CB -0.736 28.983 29.700 0.032 0.000 1.078 264 E HN 0.306 nan 8.360 nan 0.000 0.338 265 V N 0.564 120.145 119.914 -0.554 0.000 2.876 265 V HA 0.489 4.609 4.120 0.000 0.000 0.312 265 V C -0.591 175.308 176.094 -0.326 0.000 1.085 265 V CA -0.505 61.597 62.300 -0.330 0.000 0.945 265 V CB 2.665 34.353 31.823 -0.224 0.000 1.017 265 V HN 0.258 nan 8.190 nan 0.000 0.428 266 S N 6.551 122.156 115.700 -0.157 0.000 2.442 266 S HA 0.841 5.311 4.470 0.000 0.000 0.297 266 S C -0.531 174.022 174.600 -0.078 0.000 1.131 266 S CA -0.441 57.699 58.200 -0.100 0.000 1.092 266 S CB 0.835 64.035 63.200 0.001 0.000 0.998 266 S HN 0.981 nan 8.310 nan 0.000 0.478 267 L N -0.061 121.112 121.223 -0.082 0.000 2.933 267 L HA 0.692 5.032 4.340 0.000 0.000 0.271 267 L C -1.129 175.702 176.870 -0.065 0.000 1.071 267 L CA -0.990 53.814 54.840 -0.059 0.000 0.938 267 L CB 1.409 43.430 42.059 -0.063 0.000 1.534 267 L HN 0.383 nan 8.230 nan 0.000 0.396 268 S N 1.266 116.933 115.700 -0.053 0.000 2.513 268 S HA 0.819 5.289 4.470 0.000 0.000 0.276 268 S C -0.408 174.128 174.600 -0.107 0.000 1.254 268 S CA -0.422 57.737 58.200 -0.069 0.000 1.053 268 S CB 0.640 63.813 63.200 -0.044 0.000 0.958 268 S HN 0.424 nan 8.310 nan 0.000 0.491 269 L N 3.088 124.220 121.223 -0.152 0.000 2.479 269 L HA 0.488 4.828 4.340 0.000 0.000 0.255 269 L C -2.797 173.895 176.870 -0.297 0.000 1.026 269 L CA -2.783 51.913 54.840 -0.239 0.000 0.842 269 L CB 2.250 44.157 42.059 -0.254 0.000 1.444 269 L HN 0.314 nan 8.230 nan 0.000 0.409 270 P HA 0.227 nan 4.420 nan 0.000 0.270 270 P C -1.318 175.800 177.300 -0.304 0.000 1.242 270 P CA 0.071 62.892 63.100 -0.465 0.000 0.768 270 P CB 0.388 31.624 31.700 -0.774 0.000 0.820 271 R N 3.138 123.533 120.500 -0.174 0.000 2.750 271 R HA 0.557 4.897 4.340 0.000 0.000 0.281 271 R C -0.295 175.973 176.300 -0.052 0.000 0.972 271 R CA -1.065 54.963 56.100 -0.120 0.000 0.912 271 R CB 1.902 32.151 30.300 -0.084 0.000 1.187 271 R HN 0.385 nan 8.270 nan 0.000 0.464 272 I N 3.059 123.600 120.570 -0.048 0.000 2.396 272 I HA 0.110 4.280 4.170 0.000 0.000 0.289 272 I C -0.485 175.654 176.117 0.036 0.000 1.056 272 I CA -0.487 60.805 61.300 -0.014 0.000 1.365 272 I CB 0.792 38.777 38.000 -0.024 0.000 1.407 272 I HN 0.222 nan 8.210 nan 0.000 0.509 273 L N 7.278 128.562 121.223 0.102 0.000 2.296 273 L HA 0.838 5.178 4.340 0.000 0.000 0.286 273 L C 0.039 176.957 176.870 0.080 0.000 1.023 273 L CA 0.322 55.226 54.840 0.107 0.000 0.812 273 L CB 1.228 43.390 42.059 0.172 0.000 1.223 273 L HN 0.632 nan 8.230 nan 0.000 0.421 274 G N 2.310 111.136 108.800 0.043 0.000 3.086 274 G HA2 0.544 4.504 3.960 0.000 0.000 0.282 274 G HA3 0.544 4.504 3.960 0.000 0.000 0.282 274 G C 0.222 175.133 174.900 0.018 0.000 1.343 274 G CA -0.135 44.984 45.100 0.032 0.000 0.895 274 G HN 0.817 nan 8.290 nan 0.000 0.557 275 A N -1.088 121.741 122.820 0.014 0.000 2.024 275 A HA 0.186 4.506 4.320 0.000 0.000 0.220 275 A C 2.096 179.684 177.584 0.006 0.000 1.164 275 A CA 2.360 54.401 52.037 0.008 0.000 0.643 275 A CB -0.533 18.471 19.000 0.008 0.000 0.806 275 A HN 1.418 nan 8.150 nan 0.000 0.451 276 G N -2.091 106.715 108.800 0.010 0.000 3.337 276 G HA2 0.495 4.455 3.960 0.000 0.000 0.246 276 G HA3 0.495 4.455 3.960 0.000 0.000 0.246 276 G C 0.765 175.672 174.900 0.012 0.000 1.131 276 G CA 0.555 45.661 45.100 0.010 0.000 0.773 276 G HN 1.560 nan 8.290 nan 0.000 0.544 277 G N -0.849 107.957 108.800 0.011 0.000 2.500 277 G HA2 -0.053 3.907 3.960 0.000 0.000 0.209 277 G HA3 -0.053 3.907 3.960 0.000 0.000 0.209 277 G C -0.364 174.546 174.900 0.015 0.000 1.283 277 G CA -0.449 44.658 45.100 0.011 0.000 0.960 277 G HN 0.667 nan 8.290 nan 0.000 0.528 278 V N 1.159 121.082 119.914 0.014 0.000 2.585 278 V HA 0.351 4.471 4.120 0.000 0.000 0.296 278 V C 1.454 177.554 176.094 0.010 0.000 1.035 278 V CA 1.776 64.082 62.300 0.010 0.000 1.084 278 V CB 1.469 33.291 31.823 -0.002 0.000 0.953 278 V HN 0.850 nan 8.190 nan 0.000 0.483 279 E N 2.541 122.745 120.200 0.007 0.000 2.562 279 E HA 0.396 4.746 4.350 0.000 0.000 0.214 279 E C 0.449 177.050 176.600 0.002 0.000 0.979 279 E CA 0.525 56.930 56.400 0.009 0.000 1.002 279 E CB 0.807 30.514 29.700 0.012 0.000 1.048 279 E HN 0.915 nan 8.360 nan 0.000 0.488 280 G N -0.470 108.321 108.800 -0.016 0.000 2.355 280 G HA2 0.237 4.197 3.960 0.000 0.000 0.296 280 G HA3 0.237 4.197 3.960 0.000 0.000 0.296 280 G C -1.144 173.704 174.900 -0.087 0.000 1.507 280 G CA -0.679 44.405 45.100 -0.027 0.000 0.823 280 G HN -0.055 nan 8.290 nan 0.000 0.569 281 T N 0.238 114.713 114.554 -0.130 0.000 2.848 281 T HA 0.620 4.970 4.350 0.000 0.000 0.285 281 T C -0.091 174.323 174.700 -0.476 0.000 0.995 281 T CA -0.440 61.452 62.100 -0.346 0.000 0.970 281 T CB 1.794 70.372 68.868 -0.484 0.000 0.976 281 T HN 0.632 nan 8.240 nan 0.000 0.441 282 V N 3.252 122.870 119.914 -0.493 0.000 2.539 282 V HA 0.422 4.542 4.120 0.000 0.000 0.292 282 V C -1.105 174.671 176.094 -0.529 0.000 1.045 282 V CA -0.756 61.336 62.300 -0.348 0.000 0.945 282 V CB 0.775 32.467 31.823 -0.218 0.000 0.993 282 V HN 0.855 nan 8.190 nan 0.000 0.464 283 Y N 4.501 124.764 120.300 -0.062 0.000 2.805 283 Y HA 0.425 4.975 4.550 0.000 0.000 0.339 283 Y C -1.698 174.191 175.900 -0.020 0.000 1.012 283 Y CA -2.254 55.813 58.100 -0.054 0.000 1.262 283 Y CB 0.504 38.942 38.460 -0.037 0.000 1.100 283 Y HN 0.535 nan 8.280 nan 0.000 0.559 284 P HA 0.110 nan 4.420 nan 0.000 0.271 284 P C -0.101 177.269 177.300 0.117 0.000 1.218 284 P CA -0.276 62.897 63.100 0.121 0.000 0.780 284 P CB 1.350 33.154 31.700 0.174 0.000 0.901 285 S N 2.296 118.060 115.700 0.108 0.000 2.562 285 S HA 0.348 4.818 4.470 0.000 0.000 0.281 285 S C 0.071 174.727 174.600 0.095 0.000 1.333 285 S CA -0.567 57.686 58.200 0.089 0.000 1.052 285 S CB -0.041 63.204 63.200 0.075 0.000 0.884 285 S HN 0.373 nan 8.310 nan 0.000 0.506 286 L N 2.607 123.880 121.223 0.082 0.000 2.354 286 L HA 0.533 4.873 4.340 0.000 0.000 0.269 286 L C 0.567 177.480 176.870 0.073 0.000 1.005 286 L CA -0.937 53.954 54.840 0.085 0.000 0.819 286 L CB 2.298 44.401 42.059 0.074 0.000 1.311 286 L HN 0.945 nan 8.230 nan 0.000 0.423 287 S N 0.771 116.520 115.700 0.082 0.000 2.614 287 S HA 0.303 4.773 4.470 0.000 0.000 0.265 287 S C -2.047 172.585 174.600 0.053 0.000 1.303 287 S CA -0.982 57.259 58.200 0.068 0.000 1.000 287 S CB 1.138 64.384 63.200 0.078 0.000 0.935 287 S HN 0.405 nan 8.310 nan 0.000 0.551 288 P HA -0.102 nan 4.420 nan 0.000 0.216 288 P C 1.044 178.364 177.300 0.032 0.000 1.150 288 P CA 1.363 64.482 63.100 0.032 0.000 0.843 288 P CB 0.011 31.726 31.700 0.025 0.000 0.787 289 E N -0.302 119.921 120.200 0.037 0.000 2.028 289 E HA -0.182 4.168 4.350 0.000 0.000 0.191 289 E C 1.969 178.596 176.600 0.045 0.000 0.988 289 E CA 1.224 57.646 56.400 0.036 0.000 0.799 289 E CB -0.709 29.013 29.700 0.036 0.000 0.755 289 E HN 0.388 nan 8.360 nan 0.000 0.447 290 E N 0.484 120.722 120.200 0.063 0.000 2.085 290 E HA -0.178 4.172 4.350 0.000 0.000 0.194 290 E C 2.144 178.773 176.600 0.049 0.000 0.994 290 E CA 0.924 57.365 56.400 0.070 0.000 0.801 290 E CB -0.087 29.671 29.700 0.096 0.000 0.743 290 E HN 0.154 nan 8.360 nan 0.000 0.453 291 R N 0.893 121.419 120.500 0.044 0.000 2.081 291 R HA -0.122 4.218 4.340 0.000 0.000 0.235 291 R C 2.189 178.503 176.300 0.023 0.000 1.131 291 R CA 1.104 57.223 56.100 0.032 0.000 0.960 291 R CB -0.287 30.031 30.300 0.030 0.000 0.856 291 R HN 0.307 nan 8.270 nan 0.000 0.436 292 E N 0.758 120.971 120.200 0.023 0.000 2.077 292 E HA -0.151 4.199 4.350 0.000 0.000 0.193 292 E C 2.073 178.682 176.600 0.015 0.000 0.989 292 E CA 1.124 57.534 56.400 0.017 0.000 0.800 292 E CB -0.090 29.620 29.700 0.016 0.000 0.746 292 E HN 0.335 nan 8.360 nan 0.000 0.452 293 A N 1.261 124.093 122.820 0.020 0.000 1.933 293 A HA -0.169 4.151 4.320 0.000 0.000 0.218 293 A C 2.158 179.749 177.584 0.011 0.000 1.175 293 A CA 1.021 53.068 52.037 0.017 0.000 0.628 293 A CB -0.459 18.556 19.000 0.025 0.000 0.814 293 A HN 0.222 nan 8.150 nan 0.000 0.444 294 L N -0.275 120.955 121.223 0.013 0.000 2.093 294 L HA -0.058 4.282 4.340 0.000 0.000 0.208 294 L C 2.396 179.264 176.870 -0.003 0.000 1.085 294 L CA 2.216 57.059 54.840 0.004 0.000 0.755 294 L CB -0.565 41.498 42.059 0.007 0.000 0.904 294 L HN 0.451 nan 8.230 nan 0.000 0.435 295 R N -1.016 119.485 120.500 0.001 0.000 2.081 295 R HA -0.150 4.190 4.340 0.000 0.000 0.235 295 R C 2.412 178.711 176.300 -0.003 0.000 1.131 295 R CA 0.934 57.032 56.100 -0.002 0.000 0.960 295 R CB -0.206 30.096 30.300 0.003 0.000 0.856 295 R HN 0.201 nan 8.270 nan 0.000 0.436 296 R N 0.134 120.635 120.500 0.002 0.000 2.096 296 R HA -0.039 4.301 4.340 0.000 0.000 0.235 296 R C 2.223 178.522 176.300 -0.001 0.000 1.127 296 R CA 1.405 57.507 56.100 0.003 0.000 0.968 296 R CB -0.750 29.553 30.300 0.006 0.000 0.861 296 R HN 0.172 nan 8.270 nan 0.000 0.440 297 S N -0.096 115.601 115.700 -0.005 0.000 2.383 297 S HA -0.048 4.422 4.470 0.000 0.000 0.227 297 S C 1.831 176.419 174.600 -0.020 0.000 1.026 297 S CA 1.148 59.343 58.200 -0.009 0.000 0.981 297 S CB -0.059 63.136 63.200 -0.008 0.000 0.818 297 S HN 0.465 nan 8.310 nan 0.000 0.472 298 A N 0.950 123.753 122.820 -0.028 0.000 1.897 298 A HA -0.033 4.287 4.320 0.000 0.000 0.215 298 A C 1.920 179.475 177.584 -0.049 0.000 1.181 298 A CA 1.421 53.429 52.037 -0.048 0.000 0.620 298 A CB -0.606 18.362 19.000 -0.054 0.000 0.821 298 A HN 0.612 nan 8.150 nan 0.000 0.443 299 E N -0.256 119.928 120.200 -0.026 0.000 2.110 299 E HA -0.156 4.194 4.350 0.000 0.000 0.193 299 E C 1.821 178.417 176.600 -0.006 0.000 0.988 299 E CA 1.164 57.558 56.400 -0.010 0.000 0.804 299 E CB -0.268 29.439 29.700 0.012 0.000 0.745 299 E HN 0.701 nan 8.360 nan 0.000 0.458 300 I N 0.743 121.309 120.570 -0.007 0.000 2.179 300 I HA -0.291 3.879 4.170 0.000 0.000 0.242 300 I C 2.259 178.367 176.117 -0.014 0.000 1.088 300 I CA 1.047 62.347 61.300 -0.001 0.000 1.357 300 I CB -0.184 37.816 38.000 -0.001 0.000 1.051 300 I HN 0.132 nan 8.210 nan 0.000 0.409 301 L N 0.297 121.500 121.223 -0.033 0.000 2.056 301 L HA -0.194 4.146 4.340 0.000 0.000 0.207 301 L C 2.569 179.387 176.870 -0.088 0.000 1.078 301 L CA 1.029 55.840 54.840 -0.048 0.000 0.749 301 L CB -0.533 41.494 42.059 -0.053 0.000 0.901 301 L HN 0.141 nan 8.230 nan 0.000 0.433 302 K N 0.599 120.919 120.400 -0.133 0.000 2.097 302 K HA -0.224 4.096 4.320 0.000 0.000 0.206 302 K C 1.964 178.385 176.600 -0.299 0.000 1.049 302 K CA 1.382 57.497 56.287 -0.288 0.000 0.933 302 K CB -0.107 32.213 32.500 -0.300 0.000 0.717 302 K HN 0.061 nan 8.250 nan 0.000 0.442 303 E N 0.206 120.370 120.200 -0.060 0.000 2.051 303 E HA -0.072 4.278 4.350 0.000 0.000 0.192 303 E C 1.704 178.356 176.600 0.087 0.000 0.991 303 E CA 1.706 58.167 56.400 0.102 0.000 0.799 303 E CB -0.571 29.192 29.700 0.105 0.000 0.748 303 E HN 0.294 nan 8.360 nan 0.000 0.449 304 A N 0.735 123.573 122.820 0.030 0.000 1.933 304 A HA -0.055 4.265 4.320 0.000 0.000 0.218 304 A C 2.420 180.040 177.584 0.060 0.000 1.175 304 A CA 2.149 54.213 52.037 0.044 0.000 0.628 304 A CB -0.959 18.052 19.000 0.018 0.000 0.814 304 A HN 0.377 nan 8.150 nan 0.000 0.444 305 A N -0.720 122.099 122.820 -0.002 0.000 1.858 305 A HA -0.001 4.319 4.320 0.000 0.000 0.216 305 A C 1.907 179.557 177.584 0.110 0.000 1.190 305 A CA 1.637 53.691 52.037 0.028 0.000 0.617 305 A CB -0.799 18.138 19.000 -0.105 0.000 0.827 305 A HN 0.421 nan 8.150 nan 0.000 0.443 306 F N 0.302 120.299 119.950 0.077 0.000 2.091 306 F HA -0.174 4.353 4.527 0.000 0.000 0.299 306 F C 2.894 178.714 175.800 0.034 0.000 1.103 306 F CA 0.675 58.704 58.000 0.049 0.000 1.228 306 F CB -1.166 37.854 39.000 0.034 0.000 0.984 306 F HN 0.270 nan 8.300 nan 0.000 0.477 307 A N -0.165 122.802 122.820 0.245 0.000 1.940 307 A HA -0.161 4.159 4.320 0.000 0.000 0.219 307 A C 2.247 179.897 177.584 0.109 0.000 1.176 307 A CA 1.587 53.708 52.037 0.140 0.000 0.631 307 A CB -1.069 17.996 19.000 0.108 0.000 0.814 307 A HN 0.425 nan 8.150 nan 0.000 0.446 308 L N -1.686 119.621 121.223 0.139 0.000 2.509 308 L HA 0.187 4.527 4.340 0.000 0.000 0.222 308 L C 1.584 178.468 176.870 0.024 0.000 1.123 308 L CA 0.524 55.457 54.840 0.155 0.000 0.856 308 L CB -0.189 42.051 42.059 0.302 0.000 0.985 308 L HN 0.601 nan 8.230 nan 0.000 0.456 309 G N -0.176 108.622 108.800 -0.004 0.000 2.149 309 G HA2 -0.275 3.685 3.960 0.000 0.000 0.235 309 G HA3 -0.275 3.685 3.960 0.000 0.000 0.235 309 G C -0.174 174.482 174.900 -0.406 0.000 1.018 309 G CA -0.200 44.790 45.100 -0.185 0.000 0.728 309 G HN 0.160 nan 8.290 nan 0.000 0.508 310 F N 0.000 120.008 119.950 0.097 0.000 2.286 310 F HA 0.000 4.527 4.527 0.000 0.000 0.279 310 F CA 0.000 58.054 58.000 0.091 0.000 1.383 310 F CB 0.000 39.042 39.000 0.071 0.000 1.145 310 F HN 0.000 nan 8.300 nan 0.000 0.574