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_A 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 0.000 176.595 176.600 -0.008 0.000 0.988 2 K CA 0.000 56.295 56.287 0.013 0.000 0.838 2 K CB 0.000 32.510 32.500 0.016 0.000 1.064 3 V N 1.255 121.155 119.914 -0.023 0.000 2.680 3 V HA 0.778 4.897 4.120 -0.000 0.000 0.309 3 V C 0.217 176.281 176.094 -0.050 0.000 1.052 3 V CA -0.220 62.061 62.300 -0.031 0.000 0.908 3 V CB 1.956 33.761 31.823 -0.028 0.000 1.001 3 V HN 0.920 nan 8.190 nan 0.000 0.431 4 G N 3.259 112.030 108.800 -0.048 0.000 2.410 4 G HA2 0.774 4.734 3.960 -0.000 0.000 0.330 4 G HA3 0.774 4.734 3.960 -0.000 0.000 0.330 4 G C -0.968 173.894 174.900 -0.065 0.000 1.142 4 G CA -0.498 44.565 45.100 -0.062 0.000 0.902 4 G HN 0.608 nan 8.290 nan 0.000 0.491 5 I N 1.562 122.082 120.570 -0.083 0.000 2.540 5 I HA 0.131 4.301 4.170 -0.000 0.000 0.280 5 I C -0.632 175.423 176.117 -0.103 0.000 1.083 5 I CA -0.647 60.604 61.300 -0.082 0.000 1.080 5 I CB 2.201 40.154 38.000 -0.078 0.000 1.205 5 I HN 0.077 nan 8.210 nan 0.000 0.459 6 V N 4.886 124.741 119.914 -0.098 0.000 2.389 6 V HA 0.708 4.828 4.120 -0.000 0.000 0.264 6 V C 0.758 176.800 176.094 -0.087 0.000 1.049 6 V CA -0.221 62.012 62.300 -0.112 0.000 0.932 6 V CB 0.633 32.419 31.823 -0.062 0.000 1.011 6 V HN 1.033 nan 8.190 nan 0.000 0.475 7 G N 3.239 111.990 108.800 -0.082 0.000 2.551 7 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.604 7 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.604 7 G C -0.097 174.760 174.900 -0.071 0.000 1.116 7 G CA -0.143 44.926 45.100 -0.052 0.000 1.285 7 G HN 0.826 nan 8.290 nan 0.000 0.586 8 S N 0.989 116.648 115.700 -0.069 0.000 2.945 8 S HA 0.583 5.053 4.470 -0.000 0.000 0.227 8 S C 1.307 175.843 174.600 -0.106 0.000 1.353 8 S CA 0.732 58.874 58.200 -0.096 0.000 1.236 8 S CB -0.621 62.558 63.200 -0.034 0.000 1.069 8 S HN 1.542 nan 8.310 nan 0.000 0.509 12 G N 1.276 110.022 108.800 -0.090 0.000 2.421 12 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 12 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 12 G C 1.782 176.591 174.900 -0.152 0.000 1.171 12 G CA 1.983 47.020 45.100 -0.105 0.000 0.775 12 G HN 0.778 nan 8.290 nan 0.000 0.543 13 S N 1.198 116.718 115.700 -0.300 0.000 2.383 13 S HA 0.168 4.638 4.470 -0.000 0.000 0.227 13 S C 2.597 177.119 174.600 -0.130 0.000 1.026 13 S CA 1.493 59.458 58.200 -0.392 0.000 0.981 13 S CB -0.457 62.123 63.200 -1.034 0.000 0.818 13 S HN 0.606 nan 8.310 nan 0.000 0.472 14 A N 1.751 124.537 122.820 -0.056 0.000 1.930 14 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 14 A C 2.401 180.097 177.584 0.187 0.000 1.175 14 A CA 1.964 54.098 52.037 0.162 0.000 0.627 14 A CB -1.573 17.575 19.000 0.247 0.000 0.815 14 A HN 0.587 nan 8.150 nan 0.000 0.443 15 T N 0.354 114.962 114.554 0.089 0.000 2.777 15 T HA 0.004 4.354 4.350 -0.000 0.000 0.266 15 T C 2.235 176.977 174.700 0.069 0.000 1.040 15 T CA 1.470 63.611 62.100 0.069 0.000 1.141 15 T CB -0.441 68.440 68.868 0.022 0.000 0.868 15 T HN 0.584 nan 8.240 nan 0.000 0.444 16 A N 0.689 123.540 122.820 0.053 0.000 1.902 16 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 16 A C 2.123 179.798 177.584 0.151 0.000 1.181 16 A CA 1.494 53.567 52.037 0.061 0.000 0.623 16 A CB -1.027 17.984 19.000 0.018 0.000 0.818 16 A HN 0.532 nan 8.150 nan 0.000 0.443 17 Y N 0.636 120.958 120.300 0.037 0.000 2.181 17 Y HA -0.084 4.465 4.550 -0.000 0.000 0.288 17 Y C 2.673 178.620 175.900 0.078 0.000 1.146 17 Y CA 0.945 59.089 58.100 0.074 0.000 1.164 17 Y CB -0.694 37.828 38.460 0.104 0.000 0.982 17 Y HN 0.310 nan 8.280 nan 0.000 0.515 18 A N 0.034 122.926 122.820 0.118 0.000 1.898 18 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 18 A C 2.366 179.945 177.584 -0.009 0.000 1.181 18 A CA 1.619 53.657 52.037 0.002 0.000 0.620 18 A CB -1.141 17.893 19.000 0.056 0.000 0.819 18 A HN 0.509 nan 8.150 nan 0.000 0.442 19 L N -0.682 120.554 121.223 0.022 0.000 2.043 19 L HA -0.270 4.069 4.340 -0.000 0.000 0.212 19 L C 3.116 179.995 176.870 0.015 0.000 1.075 19 L CA 1.299 56.144 54.840 0.009 0.000 0.752 19 L CB -0.578 41.489 42.059 0.014 0.000 0.891 19 L HN 0.469 nan 8.230 nan 0.000 0.432 20 A N 0.063 122.908 122.820 0.041 0.000 1.841 20 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 20 A C 2.196 179.833 177.584 0.088 0.000 1.195 20 A CA 1.368 53.450 52.037 0.074 0.000 0.611 20 A CB -0.813 18.255 19.000 0.112 0.000 0.835 20 A HN 0.348 nan 8.150 nan 0.000 0.443 21 L N -0.769 120.441 121.223 -0.022 0.000 2.187 21 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 21 L C 2.073 179.019 176.870 0.127 0.000 1.100 21 L CA 0.828 55.655 54.840 -0.022 0.000 0.765 21 L CB -0.336 41.569 42.059 -0.257 0.000 0.904 21 L HN 0.354 nan 8.230 nan 0.000 0.437 22 L N -0.943 120.308 121.223 0.047 0.000 2.585 22 L HA 0.223 4.563 4.340 -0.000 0.000 0.226 22 L C 1.270 178.017 176.870 -0.205 0.000 1.113 22 L CA 0.276 55.111 54.840 -0.008 0.000 0.876 22 L CB -0.157 41.883 42.059 -0.031 0.000 1.072 22 L HN 0.373 nan 8.230 nan 0.000 0.468 23 G N 0.569 109.260 108.800 -0.182 0.000 2.295 23 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.287 23 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.287 23 G C 0.617 175.397 174.900 -0.200 0.000 1.055 23 G CA 0.393 45.295 45.100 -0.329 0.000 0.922 23 G HN 0.141 nan 8.290 nan 0.000 0.503 24 V N -0.924 118.930 119.914 -0.101 0.000 2.591 24 V HA 0.439 4.558 4.120 -0.000 0.000 0.249 24 V C 1.705 177.774 176.094 -0.042 0.000 1.053 24 V CA 2.275 64.534 62.300 -0.068 0.000 1.068 24 V CB -0.165 31.631 31.823 -0.046 0.000 0.689 24 V HN 1.511 nan 8.190 nan 0.000 0.462 25 A N -0.981 121.825 122.820 -0.023 0.000 2.515 25 A HA 0.635 4.955 4.320 -0.000 0.000 0.296 25 A C 0.636 178.236 177.584 0.026 0.000 1.094 25 A CA -0.626 51.411 52.037 -0.001 0.000 0.718 25 A CB 1.224 20.224 19.000 0.001 0.000 1.307 25 A HN 0.079 nan 8.150 nan 0.000 0.408 26 R N -0.087 120.440 120.500 0.045 0.000 2.153 26 R HA 0.077 4.417 4.340 -0.000 0.000 0.218 26 R C 0.188 176.572 176.300 0.141 0.000 1.072 26 R CA 1.030 57.181 56.100 0.084 0.000 0.990 26 R CB 0.381 30.728 30.300 0.077 0.000 0.889 26 R HN 0.770 nan 8.270 nan 0.000 0.452 27 E N 0.557 120.822 120.200 0.108 0.000 2.292 27 E HA 0.323 4.673 4.350 -0.000 0.000 0.272 27 E C -1.701 174.893 176.600 -0.010 0.000 0.881 27 E CA -0.520 55.940 56.400 0.100 0.000 0.754 27 E CB 2.306 32.094 29.700 0.147 0.000 1.201 27 E HN -0.212 nan 8.360 nan 0.000 0.425 28 V N 4.239 124.102 119.914 -0.085 0.000 2.525 28 V HA 0.352 4.472 4.120 -0.000 0.000 0.299 28 V C -0.686 175.294 176.094 -0.190 0.000 1.034 28 V CA -0.786 61.453 62.300 -0.103 0.000 0.863 28 V CB 1.830 33.622 31.823 -0.051 0.000 0.999 28 V HN 0.500 nan 8.190 nan 0.000 0.423 29 V N 6.437 126.249 119.914 -0.171 0.000 2.384 29 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 29 V C -0.200 175.800 176.094 -0.157 0.000 1.020 29 V CA -0.483 61.694 62.300 -0.205 0.000 0.850 29 V CB 1.728 33.430 31.823 -0.201 0.000 0.987 29 V HN 0.651 nan 8.190 nan 0.000 0.436 30 L N 5.747 126.877 121.223 -0.154 0.000 2.276 30 L HA 0.598 4.938 4.340 -0.000 0.000 0.286 30 L C -0.498 176.277 176.870 -0.158 0.000 1.061 30 L CA -0.503 54.257 54.840 -0.132 0.000 0.807 30 L CB 1.600 43.601 42.059 -0.097 0.000 1.177 30 L HN 0.348 nan 8.230 nan 0.000 0.429 31 V N 2.579 122.381 119.914 -0.186 0.000 2.495 31 V HA 0.515 4.635 4.120 -0.000 0.000 0.298 31 V C -0.520 175.444 176.094 -0.216 0.000 1.031 31 V CA -0.545 61.597 62.300 -0.262 0.000 0.871 31 V CB 1.957 33.517 31.823 -0.440 0.000 0.988 31 V HN 0.724 nan 8.190 nan 0.000 0.432 32 D N 2.308 122.601 120.400 -0.178 0.000 2.602 32 D HA 0.365 5.004 4.640 -0.000 0.000 0.236 32 D C 0.628 176.878 176.300 -0.083 0.000 1.209 32 D CA -0.611 53.324 54.000 -0.108 0.000 0.831 32 D CB 2.950 43.714 40.800 -0.060 0.000 1.478 32 D HN 0.332 nan 8.370 nan 0.000 0.438 33 L N 0.400 121.600 121.223 -0.039 0.000 2.083 33 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 33 L C 0.942 177.801 176.870 -0.018 0.000 1.083 33 L CA 1.107 55.940 54.840 -0.012 0.000 0.752 33 L CB 0.038 42.105 42.059 0.012 0.000 0.899 33 L HN 0.361 nan 8.230 nan 0.000 0.433 34 D N 0.027 120.415 120.400 -0.019 0.000 2.483 34 D HA 0.003 4.643 4.640 -0.000 0.000 0.220 34 D C 1.200 177.484 176.300 -0.028 0.000 1.173 34 D CA -0.108 53.880 54.000 -0.019 0.000 0.964 34 D CB 0.603 41.394 40.800 -0.015 0.000 1.046 34 D HN -0.013 nan 8.370 nan 0.000 0.517 35 R N 2.739 123.220 120.500 -0.032 0.000 2.113 35 R HA -0.186 4.154 4.340 -0.000 0.000 0.244 35 R C 1.497 177.776 176.300 -0.034 0.000 1.142 35 R CA 1.213 57.290 56.100 -0.038 0.000 0.953 35 R CB -0.324 29.956 30.300 -0.032 0.000 0.860 35 R HN 0.270 nan 8.270 nan 0.000 0.438 36 K N 0.785 121.166 120.400 -0.031 0.000 2.148 36 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 36 K C 1.947 178.517 176.600 -0.049 0.000 1.050 36 K CA 0.437 56.702 56.287 -0.037 0.000 0.942 36 K CB -0.528 31.950 32.500 -0.037 0.000 0.724 36 K HN 0.034 nan 8.250 nan 0.000 0.446 37 L N 0.573 121.771 121.223 -0.042 0.000 2.017 37 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 37 L C 1.996 178.867 176.870 0.001 0.000 1.073 37 L CA 2.063 56.876 54.840 -0.045 0.000 0.745 37 L CB -0.948 41.107 42.059 -0.006 0.000 0.894 37 L HN 0.167 nan 8.230 nan 0.000 0.432 38 A N -1.222 121.608 122.820 0.016 0.000 1.933 38 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 38 A C 2.173 179.763 177.584 0.011 0.000 1.175 38 A CA 1.823 53.876 52.037 0.027 0.000 0.628 38 A CB -0.547 18.433 19.000 -0.034 0.000 0.814 38 A HN 0.692 nan 8.150 nan 0.000 0.444 39 Q N -0.739 119.050 119.800 -0.017 0.000 2.083 39 Q HA -0.010 4.330 4.340 -0.000 0.000 0.198 39 Q C 2.413 178.402 176.000 -0.018 0.000 0.969 39 Q CA 1.195 56.988 55.803 -0.017 0.000 0.838 39 Q CB -0.352 28.374 28.738 -0.020 0.000 0.900 39 Q HN 0.668 nan 8.270 nan 0.000 0.436 40 A N 0.371 123.157 122.820 -0.057 0.000 1.933 40 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 40 A C 1.514 179.035 177.584 -0.106 0.000 1.175 40 A CA 1.539 53.512 52.037 -0.106 0.000 0.628 40 A CB -0.653 18.241 19.000 -0.177 0.000 0.814 40 A HN 0.385 nan 8.150 nan 0.000 0.444 41 H N -0.930 118.108 119.070 -0.053 0.000 2.363 41 H HA 0.086 4.642 4.556 -0.000 0.000 0.301 41 H C 2.496 177.808 175.328 -0.026 0.000 1.074 41 H CA 1.131 57.145 56.048 -0.055 0.000 1.354 41 H CB 0.033 29.756 29.762 -0.066 0.000 1.397 41 H HN 0.532 nan 8.280 nan 0.000 0.516 42 A N 0.695 123.579 122.820 0.107 0.000 1.902 42 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 42 A C 2.147 179.787 177.584 0.093 0.000 1.181 42 A CA 1.949 54.024 52.037 0.064 0.000 0.623 42 A CB -0.420 18.582 19.000 0.002 0.000 0.818 42 A HN 0.575 nan 8.150 nan 0.000 0.443 43 E N -0.462 119.787 120.200 0.081 0.000 2.107 43 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 43 E C 1.638 178.325 176.600 0.145 0.000 0.982 43 E CA 1.212 57.688 56.400 0.126 0.000 0.809 43 E CB -0.155 29.590 29.700 0.075 0.000 0.756 43 E HN 0.514 nan 8.360 nan 0.000 0.459 44 D N 0.316 120.744 120.400 0.048 0.000 2.097 44 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 44 D C 1.908 178.288 176.300 0.133 0.000 0.989 44 D CA 1.228 55.236 54.000 0.013 0.000 0.827 44 D CB -0.116 40.661 40.800 -0.039 0.000 0.966 44 D HN 0.293 nan 8.370 nan 0.000 0.456 45 I N 0.229 120.890 120.570 0.151 0.000 2.226 45 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 45 I C 2.539 178.814 176.117 0.262 0.000 1.100 45 I CA 0.481 61.918 61.300 0.229 0.000 1.374 45 I CB -0.180 37.946 38.000 0.210 0.000 1.057 45 I HN 0.133 nan 8.210 nan 0.000 0.413 46 L N 0.054 121.418 121.223 0.235 0.000 2.127 46 L HA -0.273 4.067 4.340 -0.000 0.000 0.211 46 L C 2.313 179.314 176.870 0.218 0.000 1.089 46 L CA 1.563 56.535 54.840 0.220 0.000 0.757 46 L CB -0.612 41.575 42.059 0.214 0.000 0.899 46 L HN 0.355 nan 8.230 nan 0.000 0.434 47 H N -1.375 117.786 119.070 0.152 0.000 2.559 47 H HA 0.026 4.582 4.556 -0.000 0.000 0.273 47 H C 1.872 177.379 175.328 0.299 0.000 1.000 47 H CA 0.875 57.033 56.048 0.183 0.000 1.195 47 H CB 0.211 30.066 29.762 0.155 0.000 1.368 47 H HN 0.339 nan 8.280 nan 0.000 0.592 48 A N -0.980 122.077 122.820 0.395 0.000 2.044 48 A HA -0.024 4.296 4.320 -0.000 0.000 0.213 48 A C 2.310 180.102 177.584 0.348 0.000 1.169 48 A CA 0.941 53.252 52.037 0.456 0.000 0.724 48 A CB -0.390 18.901 19.000 0.486 0.000 0.840 48 A HN 0.305 nan 8.150 nan 0.000 0.463 49 T N 1.413 116.092 114.554 0.208 0.000 2.685 49 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 49 T C -0.396 174.286 174.700 -0.030 0.000 1.034 49 T CA 2.168 64.328 62.100 0.100 0.000 1.149 49 T CB -0.999 67.929 68.868 0.100 0.000 0.860 49 T HN 0.373 nan 8.240 nan 0.000 0.449 50 P HA 0.009 nan 4.420 nan 0.000 0.222 50 P C 0.552 177.516 177.300 -0.559 0.000 1.147 50 P CA 0.849 63.686 63.100 -0.439 0.000 0.790 50 P CB -0.160 31.134 31.700 -0.675 0.000 0.780 51 F N -2.280 117.659 119.950 -0.018 0.000 2.693 51 F HA 0.406 4.933 4.527 -0.000 0.000 0.303 51 F C 1.593 177.336 175.800 -0.094 0.000 1.097 51 F CA -0.046 57.931 58.000 -0.038 0.000 1.330 51 F CB -0.258 38.739 39.000 -0.004 0.000 1.067 51 F HN -0.074 nan 8.300 nan 0.000 0.565 52 A N -1.140 121.659 122.820 -0.035 0.000 2.144 52 A HA 0.529 4.849 4.320 -0.000 0.000 0.191 52 A C -0.801 176.507 177.584 -0.459 0.000 1.705 52 A CA -0.156 51.742 52.037 -0.230 0.000 1.653 52 A CB 0.344 19.298 19.000 -0.077 0.000 1.624 52 A HN 0.223 nan 8.150 nan 0.000 0.691 53 H N -0.529 118.550 119.070 0.015 0.000 2.731 53 H HA 0.540 5.096 4.556 -0.000 0.000 0.368 53 H C -2.802 172.535 175.328 0.016 0.000 1.168 53 H CA -2.062 53.991 56.048 0.009 0.000 1.181 53 H CB 1.049 30.817 29.762 0.010 0.000 1.743 53 H HN 0.198 nan 8.280 nan 0.000 0.547 54 P HA 0.096 nan 4.420 nan 0.000 0.260 54 P C -0.991 176.379 177.300 0.116 0.000 1.651 54 P CA 0.004 63.156 63.100 0.087 0.000 1.139 54 P CB 0.076 31.805 31.700 0.050 0.000 1.756 55 V N 3.673 123.671 119.914 0.140 0.000 2.495 55 V HA 0.330 4.450 4.120 -0.000 0.000 0.298 55 V C -0.646 175.590 176.094 0.237 0.000 1.031 55 V CA -0.717 61.679 62.300 0.159 0.000 0.871 55 V CB 2.056 33.957 31.823 0.129 0.000 0.988 55 V HN 0.432 nan 8.190 nan 0.000 0.432 56 W N 6.256 127.571 121.300 0.025 0.000 2.367 56 W HA 0.590 5.250 4.660 -0.000 0.000 0.329 56 W C -0.706 175.830 176.519 0.029 0.000 1.066 56 W CA -0.908 56.451 57.345 0.023 0.000 1.435 56 W CB 0.820 30.288 29.460 0.013 0.000 1.296 56 W HN 0.334 nan 8.180 nan 0.000 0.401 57 V N 8.554 128.476 119.914 0.014 0.000 2.370 57 V HA 0.576 4.696 4.120 -0.000 0.000 0.283 57 V C -0.077 175.863 176.094 -0.256 0.000 1.023 57 V CA -0.712 61.512 62.300 -0.126 0.000 0.857 57 V CB 0.763 32.600 31.823 0.024 0.000 0.985 57 V HN 0.487 nan 8.190 nan 0.000 0.443 58 R N 3.883 124.134 120.500 -0.415 0.000 2.764 58 R HA 0.929 5.269 4.340 -0.000 0.000 0.270 58 R C -0.830 175.316 176.300 -0.257 0.000 1.014 58 R CA -0.745 55.135 56.100 -0.366 0.000 0.904 58 R CB 1.840 31.737 30.300 -0.673 0.000 1.236 58 R HN 0.628 nan 8.270 nan 0.000 0.466 59 A N 0.400 123.121 122.820 -0.164 0.000 2.293 59 A HA 0.872 5.191 4.320 -0.000 0.000 0.302 59 A C -0.049 177.446 177.584 -0.148 0.000 1.119 59 A CA -0.013 51.944 52.037 -0.132 0.000 0.823 59 A CB 1.029 19.982 19.000 -0.077 0.000 1.097 59 A HN 0.996 nan 8.150 nan 0.000 0.491 60 G N -0.603 108.106 108.800 -0.151 0.000 2.619 60 G HA2 0.606 4.566 3.960 -0.000 0.000 0.305 60 G HA3 0.606 4.566 3.960 -0.000 0.000 0.305 60 G C -0.418 174.388 174.900 -0.158 0.000 1.330 60 G CA 0.275 45.292 45.100 -0.138 0.000 0.789 60 G HN 1.546 nan 8.290 nan 0.000 0.487 61 S N -1.543 114.078 115.700 -0.131 0.000 2.767 61 S HA 0.496 4.966 4.470 -0.000 0.000 0.300 61 S C 0.783 175.290 174.600 -0.154 0.000 1.123 61 S CA -0.538 57.568 58.200 -0.158 0.000 0.992 61 S CB 1.105 64.275 63.200 -0.051 0.000 1.138 61 S HN 0.481 nan 8.310 nan 0.000 0.550 62 Y N 1.024 121.301 120.300 -0.038 0.000 2.193 62 Y HA -0.013 4.537 4.550 -0.000 0.000 0.285 62 Y C 2.708 178.588 175.900 -0.034 0.000 1.166 62 Y CA 1.760 59.836 58.100 -0.040 0.000 1.181 62 Y CB -1.121 37.316 38.460 -0.038 0.000 0.976 62 Y HN 0.888 nan 8.280 nan 0.000 0.520 63 G N -0.465 108.406 108.800 0.119 0.000 2.422 63 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 63 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 63 G C 1.183 176.101 174.900 0.030 0.000 1.146 63 G CA 1.170 46.308 45.100 0.064 0.000 0.769 63 G HN 0.298 nan 8.290 nan 0.000 0.547 64 D N 0.199 120.598 120.400 -0.000 0.000 2.378 64 D HA 0.037 4.677 4.640 -0.000 0.000 0.227 64 D C 2.081 178.359 176.300 -0.035 0.000 1.012 64 D CA 0.155 54.139 54.000 -0.027 0.000 0.905 64 D CB 0.225 40.983 40.800 -0.070 0.000 0.895 64 D HN 0.314 nan 8.370 nan 0.000 0.532 65 L N 0.313 121.530 121.223 -0.009 0.000 2.567 65 L HA 0.080 4.420 4.340 -0.000 0.000 0.225 65 L C 1.084 177.958 176.870 0.007 0.000 1.119 65 L CA -0.070 54.766 54.840 -0.007 0.000 0.871 65 L CB 0.050 42.123 42.059 0.023 0.000 1.036 65 L HN -0.066 nan 8.230 nan 0.000 0.459 66 E N 0.679 120.888 120.200 0.016 0.000 2.529 66 E HA 0.002 4.352 4.350 -0.000 0.000 0.259 66 E C 1.169 177.779 176.600 0.017 0.000 0.966 66 E CA 0.892 57.303 56.400 0.018 0.000 0.937 66 E CB 0.316 30.030 29.700 0.023 0.000 0.923 66 E HN 0.347 nan 8.360 nan 0.000 0.468 67 G N 2.522 111.331 108.800 0.015 0.000 2.199 67 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.254 67 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.254 67 G C 0.318 175.225 174.900 0.011 0.000 0.982 67 G CA 0.113 45.222 45.100 0.016 0.000 0.632 67 G HN 0.936 nan 8.290 nan 0.000 0.529 68 A N 0.300 123.123 122.820 0.005 0.000 2.511 68 A HA 0.598 4.918 4.320 -0.000 0.000 0.242 68 A C 1.551 179.134 177.584 -0.002 0.000 1.069 68 A CA 0.768 52.804 52.037 -0.002 0.000 0.763 68 A CB 0.284 19.277 19.000 -0.011 0.000 1.001 68 A HN 0.293 nan 8.150 nan 0.000 0.498 69 R N 1.106 121.604 120.500 -0.003 0.000 2.127 69 R HA 0.190 4.530 4.340 -0.000 0.000 0.217 69 R C 0.570 176.865 176.300 -0.008 0.000 1.074 69 R CA 1.346 57.444 56.100 -0.003 0.000 0.991 69 R CB -0.612 29.686 30.300 -0.003 0.000 0.895 69 R HN 0.850 nan 8.270 nan 0.000 0.450 70 A N 0.147 122.958 122.820 -0.014 0.000 2.515 70 A HA 0.625 4.945 4.320 -0.000 0.000 0.298 70 A C -1.241 176.328 177.584 -0.024 0.000 1.059 70 A CA -0.548 51.477 52.037 -0.019 0.000 0.698 70 A CB 2.199 21.184 19.000 -0.025 0.000 1.289 70 A HN -0.085 nan 8.150 nan 0.000 0.404 71 V N 1.829 121.727 119.914 -0.027 0.000 2.525 71 V HA 0.389 4.509 4.120 -0.000 0.000 0.299 71 V C -0.362 175.707 176.094 -0.042 0.000 1.034 71 V CA -0.627 61.652 62.300 -0.034 0.000 0.863 71 V CB 1.605 33.412 31.823 -0.028 0.000 0.999 71 V HN 0.717 nan 8.190 nan 0.000 0.423 72 V N 6.377 126.263 119.914 -0.046 0.000 2.461 72 V HA 0.337 4.457 4.120 -0.000 0.000 0.275 72 V C 0.076 176.133 176.094 -0.060 0.000 1.047 72 V CA -0.253 62.020 62.300 -0.044 0.000 0.955 72 V CB 1.333 33.133 31.823 -0.038 0.000 0.988 72 V HN 0.622 nan 8.190 nan 0.000 0.471 73 L N 5.143 126.328 121.223 -0.063 0.000 2.272 73 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 73 L C 0.626 177.488 176.870 -0.014 0.000 1.045 73 L CA -0.181 54.589 54.840 -0.117 0.000 0.842 73 L CB 1.038 42.936 42.059 -0.268 0.000 1.224 73 L HN 0.744 nan 8.230 nan 0.000 0.430 74 A N 2.647 125.460 122.820 -0.012 0.000 2.643 74 A HA 0.672 4.992 4.320 -0.000 0.000 0.295 74 A C 0.540 178.151 177.584 0.045 0.000 1.065 74 A CA -0.187 51.871 52.037 0.036 0.000 0.986 74 A CB 0.361 19.362 19.000 0.002 0.000 1.212 74 A HN 0.617 nan 8.150 nan 0.000 0.516 75 A N -0.182 122.673 122.820 0.058 0.000 2.304 75 A HA 0.836 5.156 4.320 -0.000 0.000 0.301 75 A C 0.497 178.190 177.584 0.182 0.000 1.132 75 A CA 0.220 52.304 52.037 0.077 0.000 0.819 75 A CB 0.644 19.661 19.000 0.029 0.000 1.094 75 A HN 1.681 nan 8.150 nan 0.000 0.492 76 G N -0.939 107.937 108.800 0.127 0.000 2.328 76 G HA2 0.606 4.566 3.960 -0.000 0.000 0.295 76 G HA3 0.606 4.566 3.960 -0.000 0.000 0.295 76 G C -0.909 174.034 174.900 0.071 0.000 1.413 76 G CA 0.125 45.299 45.100 0.123 0.000 0.817 76 G HN 1.932 nan 8.290 nan 0.000 0.546 77 V N -2.065 117.882 119.914 0.055 0.000 2.994 77 V HA 0.974 5.094 4.120 -0.000 0.000 0.318 77 V C 0.548 176.657 176.094 0.026 0.000 1.085 77 V CA -0.467 61.855 62.300 0.037 0.000 0.998 77 V CB 1.373 33.217 31.823 0.036 0.000 1.063 77 V HN 2.174 nan 8.190 nan 0.000 0.447 78 A N 1.629 124.461 122.820 0.020 0.000 2.301 78 A HA 0.566 4.886 4.320 -0.000 0.000 0.312 78 A C 0.031 177.624 177.584 0.014 0.000 1.182 78 A CA -0.606 51.440 52.037 0.015 0.000 0.826 78 A CB 0.823 19.830 19.000 0.011 0.000 1.134 78 A HN 1.032 nan 8.150 nan 0.000 0.501 79 Q N 0.995 120.803 119.800 0.012 0.000 2.349 79 Q HA 0.117 4.457 4.340 -0.000 0.000 0.287 79 Q C -0.264 175.742 176.000 0.011 0.000 1.044 79 Q CA 0.466 56.276 55.803 0.011 0.000 0.918 79 Q CB 0.404 29.148 28.738 0.010 0.000 1.242 79 Q HN 0.671 nan 8.270 nan 0.000 0.405 80 R N 4.412 124.919 120.500 0.011 0.000 2.297 80 R HA 0.278 4.618 4.340 -0.000 0.000 0.308 80 R C -2.267 174.038 176.300 0.009 0.000 1.029 80 R CA -1.896 54.210 56.100 0.010 0.000 0.929 80 R CB 0.563 30.869 30.300 0.010 0.000 1.046 80 R HN 0.487 nan 8.270 nan 0.000 0.461 81 P HA -0.020 nan 4.420 nan 0.000 0.254 81 P C 0.495 177.800 177.300 0.008 0.000 1.186 81 P CA 0.924 64.029 63.100 0.008 0.000 0.868 81 P CB 0.465 32.169 31.700 0.007 0.000 0.856 82 G N 2.357 111.162 108.800 0.009 0.000 2.428 82 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.199 82 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.199 82 G C 0.172 175.078 174.900 0.009 0.000 1.005 82 G CA -0.088 45.017 45.100 0.008 0.000 0.671 82 G HN 0.616 nan 8.290 nan 0.000 0.485 83 E N 1.672 121.878 120.200 0.010 0.000 2.392 83 E HA 0.505 4.855 4.350 -0.000 0.000 0.256 83 E C 0.664 177.271 176.600 0.011 0.000 1.145 83 E CA 0.209 56.616 56.400 0.011 0.000 0.929 83 E CB 0.435 30.142 29.700 0.012 0.000 0.998 83 E HN 0.411 nan 8.360 nan 0.000 0.442 84 T N -0.957 113.604 114.554 0.012 0.000 2.849 84 T HA 0.134 4.484 4.350 -0.000 0.000 0.284 84 T C 1.015 175.722 174.700 0.012 0.000 1.004 84 T CA -0.592 61.516 62.100 0.012 0.000 1.021 84 T CB 1.507 70.383 68.868 0.013 0.000 1.013 84 T HN 0.701 nan 8.240 nan 0.000 0.527 85 R N -0.259 120.248 120.500 0.012 0.000 2.092 85 R HA -0.015 4.325 4.340 -0.000 0.000 0.231 85 R C 2.173 178.481 176.300 0.013 0.000 1.119 85 R CA 0.990 57.096 56.100 0.010 0.000 0.970 85 R CB -0.473 29.831 30.300 0.008 0.000 0.864 85 R HN 0.668 nan 8.270 nan 0.000 0.440 86 L N 0.925 122.159 121.223 0.018 0.000 2.291 86 L HA -0.073 4.267 4.340 -0.000 0.000 0.214 86 L C 1.993 178.879 176.870 0.026 0.000 1.120 86 L CA 1.480 56.335 54.840 0.026 0.000 0.799 86 L CB -0.082 41.996 42.059 0.031 0.000 0.925 86 L HN 0.187 nan 8.230 nan 0.000 0.446 87 Q N -1.029 118.784 119.800 0.021 0.000 2.079 87 Q HA -0.188 4.152 4.340 -0.000 0.000 0.200 87 Q C 2.103 178.115 176.000 0.020 0.000 0.974 87 Q CA 1.844 57.660 55.803 0.021 0.000 0.840 87 Q CB -0.231 28.517 28.738 0.018 0.000 0.898 87 Q HN 0.549 nan 8.270 nan 0.000 0.430 88 L N -0.051 121.180 121.223 0.014 0.000 2.005 88 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 88 L C 1.811 178.682 176.870 0.002 0.000 1.072 88 L CA 1.514 56.360 54.840 0.009 0.000 0.744 88 L CB -0.587 41.476 42.059 0.006 0.000 0.895 88 L HN 0.175 nan 8.230 nan 0.000 0.433 89 L N 0.195 121.417 121.223 -0.002 0.000 2.043 89 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 89 L C 2.338 179.206 176.870 -0.003 0.000 1.075 89 L CA 2.268 57.098 54.840 -0.018 0.000 0.752 89 L CB -1.166 40.890 42.059 -0.005 0.000 0.891 89 L HN 0.525 nan 8.230 nan 0.000 0.432 90 D N -1.160 119.259 120.400 0.031 0.000 2.144 90 D HA -0.180 4.460 4.640 -0.000 0.000 0.199 90 D C 2.316 178.646 176.300 0.050 0.000 0.984 90 D CA 1.048 55.083 54.000 0.060 0.000 0.834 90 D CB 0.100 40.934 40.800 0.057 0.000 0.955 90 D HN 0.168 nan 8.370 nan 0.000 0.465 91 R N -0.248 120.272 120.500 0.032 0.000 2.092 91 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 91 R C 1.872 178.193 176.300 0.036 0.000 1.119 91 R CA 0.975 57.096 56.100 0.036 0.000 0.970 91 R CB -0.214 30.104 30.300 0.030 0.000 0.864 91 R HN 0.253 nan 8.270 nan 0.000 0.440 92 N N 0.820 119.521 118.700 0.002 0.000 2.188 92 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 92 N C 1.604 177.082 175.510 -0.054 0.000 1.018 92 N CA 1.299 54.333 53.050 -0.026 0.000 0.858 92 N CB -0.211 38.206 38.487 -0.118 0.000 0.989 92 N HN 0.178 nan 8.380 nan 0.000 0.426 93 A N 1.055 123.831 122.820 -0.073 0.000 1.972 93 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 93 A C 2.094 179.747 177.584 0.115 0.000 1.169 93 A CA 1.243 53.256 52.037 -0.039 0.000 0.635 93 A CB -0.448 18.601 19.000 0.083 0.000 0.810 93 A HN 0.373 nan 8.150 nan 0.000 0.446 94 Q N -0.707 119.160 119.800 0.111 0.000 2.123 94 Q HA -0.066 4.274 4.340 -0.000 0.000 0.199 94 Q C 2.076 178.159 176.000 0.137 0.000 0.966 94 Q CA 1.332 57.205 55.803 0.117 0.000 0.845 94 Q CB -0.268 28.521 28.738 0.084 0.000 0.907 94 Q HN 0.492 nan 8.270 nan 0.000 0.439 95 V N 0.237 120.250 119.914 0.164 0.000 2.343 95 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 95 V C 1.788 178.045 176.094 0.272 0.000 1.051 95 V CA 1.612 64.033 62.300 0.202 0.000 1.036 95 V CB -0.466 31.496 31.823 0.231 0.000 0.654 95 V HN 0.261 nan 8.190 nan 0.000 0.451 96 F N 0.673 120.629 119.950 0.009 0.000 2.206 96 F HA -0.008 4.519 4.527 -0.000 0.000 0.298 96 F C 2.364 178.162 175.800 -0.003 0.000 1.090 96 F CA 0.941 58.937 58.000 -0.007 0.000 1.323 96 F CB -0.920 38.054 39.000 -0.044 0.000 1.028 96 F HN 0.100 nan 8.300 nan 0.000 0.492 97 A N -0.784 122.163 122.820 0.211 0.000 2.070 97 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 97 A C 2.113 179.725 177.584 0.046 0.000 1.159 97 A CA 1.209 53.319 52.037 0.122 0.000 0.656 97 A CB -0.348 18.730 19.000 0.131 0.000 0.800 97 A HN 0.305 nan 8.150 nan 0.000 0.453 98 Q N -0.747 119.079 119.800 0.043 0.000 2.165 98 Q HA 0.024 4.364 4.340 -0.000 0.000 0.197 98 Q C 2.294 178.238 176.000 -0.093 0.000 0.952 98 Q CA 1.327 57.122 55.803 -0.013 0.000 0.848 98 Q CB -0.590 28.163 28.738 0.025 0.000 0.931 98 Q HN 0.477 nan 8.270 nan 0.000 0.470 99 V N 0.527 120.396 119.914 -0.075 0.000 2.302 99 V HA -0.162 3.958 4.120 -0.000 0.000 0.243 99 V C 2.508 178.482 176.094 -0.201 0.000 1.036 99 V CA 1.155 63.373 62.300 -0.136 0.000 1.020 99 V CB -0.675 31.062 31.823 -0.143 0.000 0.657 99 V HN 0.036 nan 8.190 nan 0.000 0.453 100 V N 1.473 121.283 119.914 -0.174 0.000 2.252 100 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 100 V C 0.404 176.417 176.094 -0.135 0.000 1.056 100 V CA 2.863 65.078 62.300 -0.141 0.000 1.022 100 V CB -2.153 29.624 31.823 -0.077 0.000 0.641 100 V HN 0.532 nan 8.190 nan 0.000 0.445 101 P HA -0.181 nan 4.420 nan 0.000 0.216 101 P C 1.449 178.630 177.300 -0.198 0.000 1.150 101 P CA 1.507 64.529 63.100 -0.131 0.000 0.837 101 P CB -0.081 31.556 31.700 -0.105 0.000 0.786 102 R N -0.089 120.206 120.500 -0.341 0.000 2.075 102 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 102 R C 2.463 178.533 176.300 -0.383 0.000 1.126 102 R CA 0.970 56.729 56.100 -0.569 0.000 0.963 102 R CB -1.794 27.671 30.300 -1.392 0.000 0.858 102 R HN 0.081 nan 8.270 nan 0.000 0.435 103 V N 0.729 120.496 119.914 -0.245 0.000 2.261 103 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 103 V C 2.165 178.236 176.094 -0.038 0.000 1.047 103 V CA 1.685 63.967 62.300 -0.030 0.000 1.015 103 V CB -0.460 31.360 31.823 -0.006 0.000 0.642 103 V HN 0.255 nan 8.190 nan 0.000 0.446 104 L N 0.072 121.255 121.223 -0.066 0.000 2.362 104 L HA -0.163 4.177 4.340 -0.000 0.000 0.219 104 L C 2.511 179.355 176.870 -0.044 0.000 1.134 104 L CA 1.374 56.186 54.840 -0.047 0.000 0.807 104 L CB -0.502 41.526 42.059 -0.052 0.000 0.927 104 L HN 0.456 nan 8.230 nan 0.000 0.447 105 E N 1.049 121.211 120.200 -0.063 0.000 2.028 105 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 105 E C 2.129 178.715 176.600 -0.024 0.000 0.988 105 E CA 1.678 58.047 56.400 -0.053 0.000 0.799 105 E CB -0.062 29.589 29.700 -0.082 0.000 0.755 105 E HN 0.315 nan 8.360 nan 0.000 0.447 106 A N -0.249 122.566 122.820 -0.008 0.000 2.072 106 A HA 0.436 4.756 4.320 -0.000 0.000 0.216 106 A C 1.396 178.989 177.584 0.015 0.000 1.156 106 A CA 0.921 52.969 52.037 0.018 0.000 0.701 106 A CB 0.002 19.036 19.000 0.057 0.000 0.816 106 A HN 0.338 nan 8.150 nan 0.000 0.458 107 A N -0.565 122.260 122.820 0.008 0.000 3.370 107 A HA 0.601 4.921 4.320 -0.000 0.000 0.295 107 A C -1.789 175.793 177.584 -0.003 0.000 1.030 107 A CA -0.796 51.244 52.037 0.005 0.000 0.883 107 A CB 0.241 19.246 19.000 0.008 0.000 1.191 107 A HN 0.085 nan 8.150 nan 0.000 0.507 108 P HA -0.189 nan 4.420 nan 0.000 0.218 108 P C 0.986 178.282 177.300 -0.006 0.000 1.146 108 P CA 1.395 64.489 63.100 -0.010 0.000 0.820 108 P CB 0.408 32.102 31.700 -0.009 0.000 0.778 109 E N -1.492 118.707 120.200 -0.001 0.000 2.474 109 E HA 0.199 4.549 4.350 -0.000 0.000 0.195 109 E C 0.801 177.402 176.600 0.002 0.000 1.039 109 E CA -0.122 56.279 56.400 0.002 0.000 0.881 109 E CB -0.065 29.637 29.700 0.004 0.000 0.970 109 E HN 0.124 nan 8.360 nan 0.000 0.486 110 A N 1.254 124.074 122.820 -0.001 0.000 2.483 110 A HA 0.196 4.516 4.320 -0.000 0.000 0.238 110 A C 0.473 178.056 177.584 -0.002 0.000 1.070 110 A CA -0.137 51.898 52.037 -0.003 0.000 0.770 110 A CB 0.466 19.462 19.000 -0.006 0.000 1.008 110 A HN -0.030 nan 8.150 nan 0.000 0.497 111 V N 3.421 123.333 119.914 -0.003 0.000 2.498 111 V HA 0.202 4.322 4.120 -0.000 0.000 0.279 111 V C 0.276 176.367 176.094 -0.005 0.000 1.048 111 V CA -0.179 62.121 62.300 0.001 0.000 0.967 111 V CB 1.095 32.917 31.823 -0.002 0.000 0.988 111 V HN 0.670 nan 8.190 nan 0.000 0.473 112 L N 6.135 127.359 121.223 0.003 0.000 2.265 112 L HA 0.446 4.785 4.340 -0.000 0.000 0.288 112 L C -0.382 176.489 176.870 0.002 0.000 1.058 112 L CA -0.214 54.623 54.840 -0.004 0.000 0.809 112 L CB 0.868 42.929 42.059 0.002 0.000 1.179 112 L HN 0.431 nan 8.230 nan 0.000 0.429 113 L N 4.978 126.194 121.223 -0.012 0.000 2.277 113 L HA 0.376 4.716 4.340 -0.000 0.000 0.284 113 L C -0.324 176.551 176.870 0.008 0.000 1.028 113 L CA -0.623 54.211 54.840 -0.009 0.000 0.835 113 L CB 1.711 43.754 42.059 -0.028 0.000 1.215 113 L HN 0.320 nan 8.230 nan 0.000 0.425 114 V N 3.097 123.037 119.914 0.044 0.000 2.498 114 V HA 0.308 4.428 4.120 -0.000 0.000 0.279 114 V C 0.839 176.979 176.094 0.078 0.000 1.048 114 V CA 0.181 62.543 62.300 0.104 0.000 0.967 114 V CB 1.271 33.195 31.823 0.168 0.000 0.988 114 V HN 0.935 nan 8.190 nan 0.000 0.473 115 A N 3.104 125.984 122.820 0.100 0.000 2.226 115 A HA 0.254 4.574 4.320 -0.000 0.000 0.207 115 A C 1.068 178.709 177.584 0.095 0.000 1.293 115 A CA 0.058 52.135 52.037 0.068 0.000 0.968 115 A CB 0.115 19.140 19.000 0.042 0.000 1.044 115 A HN 0.655 nan 8.150 nan 0.000 0.493 116 T N 2.523 117.170 114.554 0.156 0.000 2.867 116 T HA 0.169 4.519 4.350 -0.000 0.000 0.297 116 T C -0.024 174.714 174.700 0.064 0.000 0.989 116 T CA 0.197 62.377 62.100 0.134 0.000 1.159 116 T CB -0.096 68.918 68.868 0.244 0.000 0.928 116 T HN 0.464 nan 8.240 nan 0.000 0.538 117 N N 3.878 122.611 118.700 0.054 0.000 2.529 117 N HA 0.313 5.053 4.740 -0.000 0.000 0.278 117 N C -2.273 173.232 175.510 -0.008 0.000 1.146 117 N CA -1.352 51.724 53.050 0.042 0.000 0.980 117 N CB 0.521 39.044 38.487 0.060 0.000 1.124 117 N HN 0.444 nan 8.380 nan 0.000 0.458 118 P HA -0.003 nan 4.420 nan 0.000 0.276 118 P C 0.686 177.987 177.300 0.000 0.000 1.253 118 P CA -0.165 62.935 63.100 -0.000 0.000 0.766 118 P CB 1.456 33.143 31.700 -0.023 0.000 0.845 119 V N 3.526 123.480 119.914 0.067 0.000 2.332 119 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 119 V C 1.707 177.810 176.094 0.015 0.000 1.055 119 V CA 2.241 64.571 62.300 0.050 0.000 1.038 119 V CB -0.563 31.302 31.823 0.070 0.000 0.651 119 V HN 0.492 nan 8.190 nan 0.000 0.450 120 D N -0.250 120.163 120.400 0.022 0.000 2.117 120 D HA -0.051 4.589 4.640 -0.000 0.000 0.198 120 D C 1.255 177.535 176.300 -0.034 0.000 0.982 120 D CA 0.988 54.986 54.000 -0.004 0.000 0.828 120 D CB -0.263 40.536 40.800 -0.001 0.000 0.967 120 D HN 0.411 nan 8.370 nan 0.000 0.464 124 Q N 1.781 121.598 119.800 0.029 0.000 2.079 124 Q HA 0.014 4.354 4.340 -0.000 0.000 0.200 124 Q C 2.028 178.026 176.000 -0.004 0.000 0.974 124 Q CA 2.032 57.902 55.803 0.112 0.000 0.840 124 Q CB -0.384 28.399 28.738 0.076 0.000 0.898 124 Q HN 0.394 nan 8.270 nan 0.000 0.430 125 V N 0.925 120.647 119.914 -0.321 0.000 2.343 125 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 125 V C 2.334 178.310 176.094 -0.196 0.000 1.051 125 V CA 1.745 63.617 62.300 -0.713 0.000 1.036 125 V CB -1.181 30.073 31.823 -0.947 0.000 0.654 125 V HN 0.558 nan 8.190 nan 0.000 0.451 126 A N -0.867 121.981 122.820 0.045 0.000 1.933 126 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 126 A C 2.160 179.812 177.584 0.113 0.000 1.175 126 A CA 2.027 54.184 52.037 0.201 0.000 0.628 126 A CB -0.693 18.479 19.000 0.286 0.000 0.814 126 A HN 0.659 nan 8.150 nan 0.000 0.444 127 Y N 0.295 120.601 120.300 0.010 0.000 2.133 127 Y HA -0.140 4.410 4.550 -0.000 0.000 0.287 127 Y C 2.402 178.267 175.900 -0.058 0.000 1.134 127 Y CA 2.076 60.158 58.100 -0.031 0.000 1.133 127 Y CB -0.389 38.047 38.460 -0.040 0.000 0.987 127 Y HN 0.207 nan 8.280 nan 0.000 0.502 128 R N -0.125 120.240 120.500 -0.225 0.000 2.105 128 R HA -0.127 4.213 4.340 -0.000 0.000 0.239 128 R C 2.005 178.220 176.300 -0.142 0.000 1.135 128 R CA 1.461 57.427 56.100 -0.223 0.000 0.967 128 R CB -0.816 29.625 30.300 0.236 0.000 0.861 128 R HN 0.362 nan 8.270 nan 0.000 0.442 129 L N -0.043 121.162 121.223 -0.030 0.000 2.240 129 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 129 L C 2.131 178.961 176.870 -0.066 0.000 1.106 129 L CA 1.627 56.472 54.840 0.008 0.000 0.793 129 L CB -0.691 41.414 42.059 0.076 0.000 0.927 129 L HN 0.264 nan 8.230 nan 0.000 0.446 130 S N -0.798 114.834 115.700 -0.113 0.000 2.355 130 S HA 0.026 4.496 4.470 -0.000 0.000 0.222 130 S C 1.758 176.283 174.600 -0.124 0.000 1.031 130 S CA 0.825 58.965 58.200 -0.100 0.000 0.993 130 S CB -0.644 62.511 63.200 -0.075 0.000 0.859 130 S HN 0.497 nan 8.310 nan 0.000 0.453 131 G N 0.880 109.555 108.800 -0.208 0.000 2.143 131 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.249 131 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.249 131 G C -0.071 174.756 174.900 -0.123 0.000 0.981 131 G CA 0.406 45.402 45.100 -0.173 0.000 0.665 131 G HN 0.580 nan 8.290 nan 0.000 0.528 132 L N 0.772 121.929 121.223 -0.111 0.000 2.400 132 L HA 0.596 4.936 4.340 -0.000 0.000 0.264 132 L C -1.366 175.539 176.870 0.059 0.000 1.061 132 L CA -2.495 52.335 54.840 -0.016 0.000 0.799 132 L CB 0.551 42.622 42.059 0.020 0.000 1.240 132 L HN -0.081 nan 8.230 nan 0.000 0.461 133 P HA 0.127 nan 4.420 nan 0.000 0.269 133 P C -2.318 175.116 177.300 0.223 0.000 1.209 133 P CA -1.251 61.939 63.100 0.149 0.000 0.776 133 P CB 0.134 31.886 31.700 0.087 0.000 0.876 134 P HA -0.226 nan 4.420 nan 0.000 0.217 134 P C 1.644 178.973 177.300 0.048 0.000 1.158 134 P CA 2.369 65.474 63.100 0.007 0.000 0.887 134 P CB -0.532 31.142 31.700 -0.043 0.000 0.792 135 G N -0.813 108.019 108.800 0.053 0.000 2.501 135 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 135 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 135 G C 1.468 176.396 174.900 0.045 0.000 1.114 135 G CA 0.356 45.480 45.100 0.040 0.000 0.757 135 G HN 0.300 nan 8.290 nan 0.000 0.559 136 R N -0.775 119.765 120.500 0.066 0.000 2.317 136 R HA 0.198 4.538 4.340 -0.000 0.000 0.208 136 R C -0.411 175.926 176.300 0.061 0.000 0.914 136 R CA -0.082 56.051 56.100 0.055 0.000 1.060 136 R CB 0.631 30.961 30.300 0.049 0.000 1.015 136 R HN 0.200 nan 8.270 nan 0.000 0.498 137 V N 1.793 121.760 119.914 0.088 0.000 2.350 137 V HA 0.282 4.402 4.120 -0.000 0.000 0.285 137 V C -0.457 175.676 176.094 0.066 0.000 1.014 137 V CA -0.661 61.696 62.300 0.094 0.000 0.831 137 V CB 1.850 33.776 31.823 0.171 0.000 1.000 137 V HN -0.203 nan 8.190 nan 0.000 0.433 138 V N 3.733 123.670 119.914 0.039 0.000 2.487 138 V HA 0.782 4.902 4.120 -0.000 0.000 0.298 138 V C 0.624 176.724 176.094 0.010 0.000 1.028 138 V CA -0.450 61.859 62.300 0.015 0.000 0.860 138 V CB 1.981 33.799 31.823 -0.007 0.000 0.991 138 V HN 0.857 nan 8.190 nan 0.000 0.427 139 G N 1.728 110.530 108.800 0.004 0.000 2.371 139 G HA2 0.458 4.418 3.960 -0.000 0.000 0.326 139 G HA3 0.458 4.418 3.960 -0.000 0.000 0.326 139 G C 0.947 175.823 174.900 -0.039 0.000 1.127 139 G CA 0.246 45.345 45.100 -0.002 0.000 0.885 139 G HN 0.875 nan 8.290 nan 0.000 0.477 140 S N 1.390 117.056 115.700 -0.057 0.000 2.402 140 S HA 0.029 4.499 4.470 -0.000 0.000 0.233 140 S C 2.088 176.607 174.600 -0.135 0.000 1.030 140 S CA 1.145 59.287 58.200 -0.097 0.000 1.003 140 S CB -0.867 62.271 63.200 -0.105 0.000 0.813 140 S HN 2.247 nan 8.310 nan 0.000 0.477 141 G N 1.640 110.345 108.800 -0.158 0.000 2.611 141 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.301 141 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.301 141 G C 0.683 175.386 174.900 -0.328 0.000 1.233 141 G CA 1.567 46.565 45.100 -0.171 0.000 0.993 141 G HN 1.334 nan 8.290 nan 0.000 0.553 142 T N -0.019 114.451 114.554 -0.139 0.000 3.206 142 T HA 0.479 4.828 4.350 -0.000 0.000 0.253 142 T C 2.296 176.978 174.700 -0.029 0.000 1.042 142 T CA 0.976 63.035 62.100 -0.069 0.000 0.931 142 T CB -0.410 68.474 68.868 0.026 0.000 1.029 142 T HN 1.223 nan 8.240 nan 0.000 0.564 143 I N -0.800 119.743 120.570 -0.044 0.000 2.264 143 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 143 I C 2.107 178.246 176.117 0.036 0.000 1.111 143 I CA 1.344 62.662 61.300 0.030 0.000 1.382 143 I CB -0.762 37.257 38.000 0.032 0.000 1.060 143 I HN 0.191 nan 8.210 nan 0.000 0.418 144 L N 0.943 122.166 121.223 0.001 0.000 2.056 144 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 144 L C 2.321 179.227 176.870 0.061 0.000 1.078 144 L CA 1.331 56.190 54.840 0.033 0.000 0.749 144 L CB -0.851 41.226 42.059 0.030 0.000 0.901 144 L HN 0.302 nan 8.230 nan 0.000 0.433 145 D N -0.752 119.689 120.400 0.069 0.000 2.149 145 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 145 D C 2.171 178.525 176.300 0.090 0.000 0.972 145 D CA 1.316 55.363 54.000 0.077 0.000 0.835 145 D CB -0.253 40.594 40.800 0.079 0.000 0.966 145 D HN 0.187 nan 8.370 nan 0.000 0.476 146 T N 0.971 115.581 114.554 0.094 0.000 2.746 146 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 146 T C 2.034 176.799 174.700 0.109 0.000 1.039 146 T CA 1.580 63.760 62.100 0.134 0.000 1.142 146 T CB -0.237 68.711 68.868 0.132 0.000 0.866 146 T HN 0.202 nan 8.240 nan 0.000 0.444 147 A N 1.527 124.393 122.820 0.078 0.000 1.933 147 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 147 A C 2.233 179.850 177.584 0.054 0.000 1.175 147 A CA 1.865 53.932 52.037 0.050 0.000 0.628 147 A CB -0.476 18.557 19.000 0.054 0.000 0.814 147 A HN 0.322 nan 8.150 nan 0.000 0.444 148 R N -1.079 119.469 120.500 0.081 0.000 2.115 148 R HA -0.063 4.277 4.340 -0.000 0.000 0.230 148 R C 1.671 178.050 176.300 0.132 0.000 1.111 148 R CA 1.467 57.620 56.100 0.088 0.000 0.976 148 R CB -0.941 29.411 30.300 0.086 0.000 0.870 148 R HN 0.435 nan 8.270 nan 0.000 0.445 149 F N 1.110 121.022 119.950 -0.064 0.000 2.146 149 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 149 F C 1.681 177.404 175.800 -0.128 0.000 1.096 149 F CA 1.510 59.434 58.000 -0.127 0.000 1.275 149 F CB -0.257 38.630 39.000 -0.190 0.000 1.008 149 F HN -0.016 nan 8.300 nan 0.000 0.480 150 R N -0.051 120.356 120.500 -0.155 0.000 2.073 150 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 150 R C 2.465 178.693 176.300 -0.120 0.000 1.120 150 R CA 1.144 57.094 56.100 -0.250 0.000 0.967 150 R CB -0.863 29.326 30.300 -0.184 0.000 0.862 150 R HN 0.321 nan 8.270 nan 0.000 0.436 151 A N 1.517 124.315 122.820 -0.037 0.000 1.883 151 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 151 A C 2.199 179.799 177.584 0.026 0.000 1.186 151 A CA 1.254 53.292 52.037 0.002 0.000 0.624 151 A CB -0.609 18.406 19.000 0.025 0.000 0.822 151 A HN 0.168 nan 8.150 nan 0.000 0.444 152 L N -0.842 120.408 121.223 0.045 0.000 2.046 152 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 152 L C 2.600 179.524 176.870 0.090 0.000 1.077 152 L CA 1.117 56.012 54.840 0.091 0.000 0.747 152 L CB -0.530 41.612 42.059 0.138 0.000 0.896 152 L HN 0.373 nan 8.230 nan 0.000 0.432 153 L N -0.524 120.690 121.223 -0.015 0.000 2.083 153 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 153 L C 2.818 179.737 176.870 0.082 0.000 1.083 153 L CA 1.124 55.954 54.840 -0.017 0.000 0.752 153 L CB -0.621 41.290 42.059 -0.246 0.000 0.899 153 L HN 0.245 nan 8.230 nan 0.000 0.433 154 A N -0.447 122.392 122.820 0.033 0.000 1.930 154 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 154 A C 2.270 179.906 177.584 0.086 0.000 1.175 154 A CA 1.585 53.655 52.037 0.056 0.000 0.627 154 A CB -0.423 18.585 19.000 0.013 0.000 0.815 154 A HN 0.475 nan 8.150 nan 0.000 0.443 155 E N -1.700 118.556 120.200 0.092 0.000 2.106 155 E HA -0.224 4.125 4.350 -0.000 0.000 0.192 155 E C 1.749 178.417 176.600 0.114 0.000 0.984 155 E CA 1.264 57.717 56.400 0.089 0.000 0.806 155 E CB -0.274 29.481 29.700 0.091 0.000 0.750 155 E HN 0.729 nan 8.360 nan 0.000 0.458 156 Y N 0.704 121.028 120.300 0.040 0.000 2.220 156 Y HA -0.038 4.512 4.550 -0.000 0.000 0.291 156 Y C 1.865 177.784 175.900 0.031 0.000 1.129 156 Y CA 1.296 59.421 58.100 0.042 0.000 1.161 156 Y CB 0.114 38.612 38.460 0.064 0.000 0.997 156 Y HN 0.006 nan 8.280 nan 0.000 0.522 157 L N -0.153 121.200 121.223 0.217 0.000 2.492 157 L HA 0.018 4.358 4.340 -0.000 0.000 0.223 157 L C 0.393 177.311 176.870 0.081 0.000 1.132 157 L CA 0.586 55.515 54.840 0.148 0.000 0.850 157 L CB -0.209 42.023 42.059 0.289 0.000 0.966 157 L HN 0.120 nan 8.230 nan 0.000 0.454 158 R N -0.841 119.691 120.500 0.053 0.000 3.261 158 R HA -0.121 4.219 4.340 -0.000 0.000 0.257 158 R C -0.704 175.634 176.300 0.064 0.000 1.014 158 R CA 0.296 56.416 56.100 0.033 0.000 0.681 158 R CB -1.793 28.506 30.300 -0.002 0.000 1.155 158 R HN 0.171 nan 8.270 nan 0.000 0.424 159 V N -0.782 119.177 119.914 0.074 0.000 3.167 159 V HA 0.885 5.005 4.120 -0.000 0.000 0.310 159 V C -0.654 175.458 176.094 0.029 0.000 1.207 159 V CA -0.270 62.065 62.300 0.059 0.000 1.059 159 V CB 2.303 34.178 31.823 0.087 0.000 1.079 159 V HN 0.336 nan 8.190 nan 0.000 0.446 160 A N 3.568 126.392 122.820 0.006 0.000 2.354 160 A HA 0.637 4.957 4.320 -0.000 0.000 0.269 160 A C -1.878 175.696 177.584 -0.016 0.000 1.109 160 A CA -1.165 50.870 52.037 -0.004 0.000 0.800 160 A CB 0.485 19.478 19.000 -0.011 0.000 1.045 160 A HN 0.731 nan 8.150 nan 0.000 0.489 161 P HA -0.193 nan 4.420 nan 0.000 0.218 161 P C 0.937 178.209 177.300 -0.047 0.000 1.146 161 P CA 1.335 64.415 63.100 -0.033 0.000 0.813 161 P CB 0.215 31.902 31.700 -0.021 0.000 0.778 162 Q N -1.364 118.414 119.800 -0.037 0.000 2.224 162 Q HA -0.029 4.311 4.340 -0.000 0.000 0.203 162 Q C 2.050 178.018 176.000 -0.053 0.000 0.970 162 Q CA 1.371 57.149 55.803 -0.042 0.000 0.865 162 Q CB -0.966 27.753 28.738 -0.031 0.000 0.922 162 Q HN 0.203 nan 8.270 nan 0.000 0.445 163 S N -0.725 114.941 115.700 -0.057 0.000 2.478 163 S HA 0.085 4.555 4.470 -0.000 0.000 0.222 163 S C 0.496 175.048 174.600 -0.081 0.000 1.008 163 S CA -0.121 58.035 58.200 -0.073 0.000 0.928 163 S CB 0.409 63.560 63.200 -0.082 0.000 0.781 163 S HN 0.059 nan 8.310 nan 0.000 0.518 164 V N 3.426 123.292 119.914 -0.079 0.000 2.461 164 V HA 0.185 4.305 4.120 -0.000 0.000 0.275 164 V C 0.044 176.064 176.094 -0.122 0.000 1.047 164 V CA -0.416 61.822 62.300 -0.102 0.000 0.955 164 V CB 0.667 32.411 31.823 -0.131 0.000 0.988 164 V HN 0.425 nan 8.190 nan 0.000 0.471 165 H N 4.883 123.806 119.070 -0.244 0.000 2.638 165 H HA 0.725 5.281 4.556 -0.000 0.000 0.303 165 H C -0.579 174.495 175.328 -0.423 0.000 1.034 165 H CA -0.147 55.702 56.048 -0.331 0.000 1.225 165 H CB 1.310 30.905 29.762 -0.279 0.000 1.394 165 H HN 0.780 nan 8.280 nan 0.000 0.477 166 A N 5.149 127.466 122.820 -0.839 0.000 2.549 166 A HA 0.569 4.888 4.320 -0.000 0.000 0.297 166 A C -2.146 175.099 177.584 -0.564 0.000 1.061 166 A CA -0.619 50.986 52.037 -0.720 0.000 0.690 166 A CB 1.456 19.927 19.000 -0.882 0.000 1.287 166 A HN 0.564 nan 8.150 nan 0.000 0.402 167 Y N -0.096 120.147 120.300 -0.096 0.000 2.499 167 Y HA 0.602 5.152 4.550 -0.000 0.000 0.347 167 Y C -0.176 175.746 175.900 0.037 0.000 0.987 167 Y CA -1.160 56.919 58.100 -0.035 0.000 1.044 167 Y CB 2.407 40.812 38.460 -0.092 0.000 1.245 167 Y HN 0.414 nan 8.280 nan 0.000 0.461 168 V N 5.062 125.081 119.914 0.175 0.000 2.407 168 V HA 0.491 4.611 4.120 -0.000 0.000 0.291 168 V C -0.333 175.767 176.094 0.010 0.000 1.018 168 V CA -0.694 61.609 62.300 0.004 0.000 0.842 168 V CB 1.047 32.847 31.823 -0.038 0.000 0.996 168 V HN 0.592 nan 8.190 nan 0.000 0.426 169 L N 3.598 124.809 121.223 -0.019 0.000 2.271 169 L HA 0.999 5.339 4.340 -0.000 0.000 0.265 169 L C 1.021 177.872 176.870 -0.031 0.000 1.013 169 L CA -0.176 54.640 54.840 -0.040 0.000 0.820 169 L CB 1.650 43.676 42.059 -0.056 0.000 1.352 169 L HN 0.829 nan 8.230 nan 0.000 0.443 170 G N 0.565 109.342 108.800 -0.038 0.000 2.512 170 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.240 170 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.240 170 G C -0.369 174.525 174.900 -0.010 0.000 1.246 170 G CA -0.053 45.030 45.100 -0.028 0.000 0.919 170 G HN 0.801 nan 8.290 nan 0.000 0.577 171 E N 0.706 120.903 120.200 -0.005 0.000 2.392 171 E HA 0.117 4.467 4.350 -0.000 0.000 0.264 171 E C 0.247 176.884 176.600 0.062 0.000 1.024 171 E CA -0.229 56.180 56.400 0.014 0.000 0.903 171 E CB 0.114 29.808 29.700 -0.010 0.000 0.963 171 E HN 0.606 nan 8.360 nan 0.000 0.432 172 H N 4.025 123.078 119.070 -0.028 0.000 3.014 172 H HA 0.347 4.903 4.556 -0.000 0.000 0.266 172 H C -0.200 175.118 175.328 -0.016 0.000 1.455 172 H CA 0.263 56.299 56.048 -0.020 0.000 1.402 172 H CB -0.243 29.511 29.762 -0.013 0.000 1.626 172 H HN 0.671 nan 8.280 nan 0.000 0.520 173 G N 3.453 112.148 108.800 -0.175 0.000 2.392 173 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.260 173 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.260 173 G C -0.036 174.795 174.900 -0.114 0.000 1.226 173 G CA -0.001 44.971 45.100 -0.213 0.000 0.913 173 G HN 0.441 nan 8.290 nan 0.000 0.483 174 D N -0.022 120.321 120.400 -0.095 0.000 2.178 174 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 174 D C 2.323 178.589 176.300 -0.058 0.000 0.980 174 D CA 2.294 56.248 54.000 -0.076 0.000 0.842 174 D CB 0.046 40.800 40.800 -0.076 0.000 0.948 174 D HN 0.466 nan 8.370 nan 0.000 0.472 175 S N -0.485 115.186 115.700 -0.049 0.000 2.660 175 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 175 S C 0.402 174.983 174.600 -0.032 0.000 0.948 175 S CA -0.664 57.514 58.200 -0.035 0.000 0.948 175 S CB -0.672 62.511 63.200 -0.028 0.000 0.779 175 S HN 0.398 nan 8.310 nan 0.000 0.487 176 E N 0.823 121.001 120.200 -0.037 0.000 2.408 176 E HA 0.330 4.680 4.350 -0.000 0.000 0.259 176 E C -0.936 175.634 176.600 -0.049 0.000 1.110 176 E CA -0.757 55.622 56.400 -0.034 0.000 0.929 176 E CB 0.696 30.381 29.700 -0.026 0.000 0.971 176 E HN 0.110 nan 8.360 nan 0.000 0.438 177 V N 3.294 123.177 119.914 -0.052 0.000 2.384 177 V HA 0.198 4.318 4.120 -0.000 0.000 0.287 177 V C 0.060 176.083 176.094 -0.119 0.000 1.020 177 V CA -0.817 61.451 62.300 -0.053 0.000 0.850 177 V CB 1.037 32.852 31.823 -0.013 0.000 0.987 177 V HN 0.568 nan 8.190 nan 0.000 0.436 178 L N 5.012 126.113 121.223 -0.203 0.000 2.278 178 L HA 0.356 4.696 4.340 -0.000 0.000 0.287 178 L C 0.040 176.785 176.870 -0.208 0.000 1.072 178 L CA -0.500 54.037 54.840 -0.506 0.000 0.819 178 L CB 1.382 42.821 42.059 -1.034 0.000 1.176 178 L HN 0.412 nan 8.230 nan 0.000 0.435 179 V N 3.813 123.705 119.914 -0.037 0.000 2.242 179 V HA -0.031 4.089 4.120 -0.000 0.000 0.242 179 V C 0.655 176.855 176.094 0.176 0.000 1.240 179 V CA 0.102 62.474 62.300 0.120 0.000 1.211 179 V CB -0.485 31.443 31.823 0.175 0.000 1.338 179 V HN 0.787 nan 8.190 nan 0.000 0.499 180 W N 1.967 123.384 121.300 0.195 0.000 2.418 180 W HA -0.152 4.508 4.660 -0.000 0.000 0.292 180 W C 2.724 179.318 176.519 0.124 0.000 1.213 180 W CA 1.282 58.744 57.345 0.196 0.000 1.283 180 W CB -0.334 29.209 29.460 0.137 0.000 1.119 180 W HN 0.660 nan 8.180 nan 0.000 0.542 181 S N 0.102 116.002 115.700 0.333 0.000 2.359 181 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 181 S C 1.678 176.383 174.600 0.175 0.000 1.035 181 S CA 1.720 60.049 58.200 0.216 0.000 1.018 181 S CB -1.166 62.132 63.200 0.164 0.000 0.876 181 S HN 0.178 nan 8.310 nan 0.000 0.448 182 S N 1.238 117.042 115.700 0.172 0.000 2.572 182 S HA 0.675 5.145 4.470 -0.000 0.000 0.228 182 S C 0.563 175.256 174.600 0.155 0.000 0.963 182 S CA -0.155 58.138 58.200 0.156 0.000 0.939 182 S CB -0.280 63.023 63.200 0.172 0.000 0.804 182 S HN 0.793 nan 8.310 nan 0.000 0.480 183 A N 1.669 124.564 122.820 0.124 0.000 2.511 183 A HA 0.437 4.757 4.320 -0.000 0.000 0.242 183 A C 0.270 177.897 177.584 0.072 0.000 1.069 183 A CA 0.051 52.109 52.037 0.035 0.000 0.763 183 A CB 0.153 19.123 19.000 -0.050 0.000 1.001 183 A HN 0.619 nan 8.150 nan 0.000 0.498 184 Q N 0.365 120.206 119.800 0.068 0.000 2.451 184 Q HA 0.653 4.993 4.340 -0.000 0.000 0.281 184 Q C -1.584 174.407 176.000 -0.014 0.000 1.099 184 Q CA -0.930 54.895 55.803 0.036 0.000 0.806 184 Q CB 2.663 31.399 28.738 -0.004 0.000 1.419 184 Q HN 0.483 nan 8.270 nan 0.000 0.427 185 V N 0.609 120.487 119.914 -0.060 0.000 2.525 185 V HA 0.482 4.602 4.120 -0.000 0.000 0.299 185 V C 0.605 176.557 176.094 -0.237 0.000 1.034 185 V CA 0.022 62.230 62.300 -0.152 0.000 0.863 185 V CB 1.291 32.987 31.823 -0.211 0.000 0.999 185 V HN 1.056 nan 8.190 nan 0.000 0.423 186 G N 3.500 112.184 108.800 -0.193 0.000 2.258 186 G HA2 0.022 3.982 3.960 -0.000 0.000 0.274 186 G HA3 0.022 3.982 3.960 -0.000 0.000 0.274 186 G C 1.262 176.072 174.900 -0.151 0.000 1.021 186 G CA 1.035 46.026 45.100 -0.182 0.000 0.798 186 G HN 2.339 nan 8.290 nan 0.000 0.507 187 G N -3.160 105.558 108.800 -0.137 0.000 2.253 187 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.251 187 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.251 187 G C 0.599 175.446 174.900 -0.089 0.000 0.998 187 G CA 0.635 45.662 45.100 -0.122 0.000 0.621 187 G HN 1.656 nan 8.290 nan 0.000 0.524 188 V N 2.121 121.978 119.914 -0.094 0.000 2.785 188 V HA 0.479 4.599 4.120 -0.000 0.000 0.300 188 V C -1.739 174.360 176.094 0.009 0.000 1.062 188 V CA -1.507 60.766 62.300 -0.045 0.000 1.029 188 V CB 1.505 33.286 31.823 -0.071 0.000 1.024 188 V HN 0.080 nan 8.190 nan 0.000 0.477 189 P HA 0.058 nan 4.420 nan 0.000 0.266 189 P C 0.536 177.933 177.300 0.162 0.000 1.215 189 P CA -0.068 63.089 63.100 0.095 0.000 0.763 189 P CB 0.634 32.388 31.700 0.089 0.000 0.806 190 L N 6.202 127.524 121.223 0.164 0.000 1.963 190 L HA -0.252 4.088 4.340 -0.000 0.000 0.220 190 L C 1.837 178.837 176.870 0.218 0.000 1.076 190 L CA 2.077 57.054 54.840 0.227 0.000 0.772 190 L CB -1.354 40.802 42.059 0.162 0.000 0.892 190 L HN 0.316 nan 8.230 nan 0.000 0.435 191 L N -0.530 120.794 121.223 0.169 0.000 2.021 191 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 191 L C 2.644 179.564 176.870 0.084 0.000 1.074 191 L CA 2.049 56.958 54.840 0.114 0.000 0.760 191 L CB -0.958 41.161 42.059 0.101 0.000 0.889 191 L HN 0.550 nan 8.230 nan 0.000 0.433 192 E N 0.392 120.656 120.200 0.107 0.000 2.023 192 E HA -0.304 4.046 4.350 -0.000 0.000 0.196 192 E C 2.204 178.874 176.600 0.116 0.000 1.003 192 E CA 1.762 58.219 56.400 0.096 0.000 0.809 192 E CB -0.303 29.459 29.700 0.103 0.000 0.755 192 E HN 0.339 nan 8.360 nan 0.000 0.449 193 F N 1.404 121.377 119.950 0.038 0.000 2.120 193 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 193 F C 1.942 177.771 175.800 0.048 0.000 1.095 193 F CA 1.873 59.894 58.000 0.035 0.000 1.249 193 F CB -0.770 38.248 39.000 0.030 0.000 0.995 193 F HN 0.127 nan 8.300 nan 0.000 0.480 194 A N -0.047 122.546 122.820 -0.378 0.000 1.929 194 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 194 A C 2.190 179.644 177.584 -0.218 0.000 1.176 194 A CA 1.278 53.056 52.037 -0.432 0.000 0.628 194 A CB -1.043 17.886 19.000 -0.118 0.000 0.816 194 A HN 0.578 nan 8.150 nan 0.000 0.444 195 E N -0.590 119.549 120.200 -0.100 0.000 2.455 195 E HA -0.046 4.304 4.350 -0.000 0.000 0.202 195 E C 1.349 177.912 176.600 -0.061 0.000 1.045 195 E CA 0.725 57.093 56.400 -0.053 0.000 0.872 195 E CB -0.114 29.576 29.700 -0.017 0.000 0.792 195 E HN 0.614 nan 8.360 nan 0.000 0.542 196 A N 0.267 123.027 122.820 -0.101 0.000 1.949 196 A HA 0.294 4.614 4.320 -0.000 0.000 0.200 196 A C 0.810 178.332 177.584 -0.104 0.000 2.254 196 A CA -0.306 51.690 52.037 -0.067 0.000 1.206 196 A CB 0.055 19.048 19.000 -0.012 0.000 1.110 196 A HN 0.024 nan 8.150 nan 0.000 0.628 201 L N 2.195 123.412 121.223 -0.010 0.000 2.442 201 L HA 0.427 4.767 4.340 -0.000 0.000 0.261 201 L C 0.425 177.212 176.870 -0.139 0.000 1.000 201 L CA -0.436 54.335 54.840 -0.116 0.000 0.882 201 L CB 1.598 43.568 42.059 -0.149 0.000 1.207 201 L HN 0.871 nan 8.230 nan 0.000 0.443 202 S N 1.443 117.083 115.700 -0.101 0.000 2.603 202 S HA 0.360 4.830 4.470 -0.000 0.000 0.268 202 S C -1.911 172.595 174.600 -0.157 0.000 1.317 202 S CA -1.118 57.022 58.200 -0.100 0.000 1.012 202 S CB 1.189 64.363 63.200 -0.045 0.000 0.926 202 S HN 0.286 nan 8.310 nan 0.000 0.539 203 P HA -0.147 nan 4.420 nan 0.000 0.217 203 P C 1.315 178.532 177.300 -0.138 0.000 1.148 203 P CA 1.297 64.293 63.100 -0.173 0.000 0.828 203 P CB 0.076 31.702 31.700 -0.124 0.000 0.783 204 E N -0.631 119.515 120.200 -0.089 0.000 2.152 204 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 204 E C 1.298 177.868 176.600 -0.049 0.000 0.983 204 E CA 0.896 57.265 56.400 -0.052 0.000 0.818 204 E CB -0.233 29.453 29.700 -0.023 0.000 0.758 204 E HN 0.172 nan 8.360 nan 0.000 0.467 205 D N 0.224 120.575 120.400 -0.082 0.000 2.149 205 D HA -0.081 4.559 4.640 -0.000 0.000 0.201 205 D C 2.012 178.241 176.300 -0.119 0.000 0.972 205 D CA 0.687 54.625 54.000 -0.102 0.000 0.835 205 D CB -0.022 40.657 40.800 -0.202 0.000 0.966 205 D HN 0.182 nan 8.370 nan 0.000 0.476 206 R N 0.778 121.135 120.500 -0.238 0.000 2.092 206 R HA 0.023 4.363 4.340 -0.000 0.000 0.231 206 R C 2.289 178.571 176.300 -0.029 0.000 1.119 206 R CA 1.015 56.912 56.100 -0.337 0.000 0.970 206 R CB -0.200 29.549 30.300 -0.918 0.000 0.864 206 R HN 0.050 nan 8.270 nan 0.000 0.440 207 A N 1.535 124.316 122.820 -0.066 0.000 1.902 207 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 207 A C 2.171 179.784 177.584 0.048 0.000 1.181 207 A CA 1.064 53.099 52.037 -0.003 0.000 0.623 207 A CB -0.445 18.538 19.000 -0.029 0.000 0.818 207 A HN 0.100 nan 8.150 nan 0.000 0.443 208 R N 0.022 120.550 120.500 0.046 0.000 2.115 208 R HA -0.033 4.307 4.340 -0.000 0.000 0.230 208 R C 1.801 178.167 176.300 0.109 0.000 1.111 208 R CA 1.511 57.652 56.100 0.068 0.000 0.976 208 R CB -0.445 29.893 30.300 0.063 0.000 0.870 208 R HN 0.599 nan 8.270 nan 0.000 0.445 209 I N 0.583 121.253 120.570 0.167 0.000 2.277 209 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 209 I C 2.391 178.626 176.117 0.197 0.000 1.094 209 I CA 1.227 62.667 61.300 0.234 0.000 1.393 209 I CB -0.476 37.771 38.000 0.412 0.000 1.078 209 I HN 0.235 nan 8.210 nan 0.000 0.417 210 D N 1.035 121.572 120.400 0.229 0.000 2.116 210 D HA -0.300 4.340 4.640 -0.000 0.000 0.193 210 D C 1.974 178.303 176.300 0.049 0.000 0.998 210 D CA 1.662 55.734 54.000 0.120 0.000 0.836 210 D CB 0.047 40.933 40.800 0.143 0.000 0.951 210 D HN 0.397 nan 8.370 nan 0.000 0.449 211 E N -0.444 119.793 120.200 0.061 0.000 2.150 211 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 211 E C 2.067 178.699 176.600 0.054 0.000 0.985 211 E CA 0.930 57.355 56.400 0.043 0.000 0.814 211 E CB -0.228 29.497 29.700 0.042 0.000 0.752 211 E HN 0.329 nan 8.360 nan 0.000 0.466 212 G N 0.220 109.063 108.800 0.071 0.000 2.471 212 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 212 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 212 G C 1.469 176.409 174.900 0.066 0.000 1.125 212 G CA 0.756 45.902 45.100 0.076 0.000 0.775 212 G HN 0.188 nan 8.290 nan 0.000 0.548 213 V N -0.098 119.843 119.914 0.046 0.000 2.403 213 V HA 0.097 4.217 4.120 -0.000 0.000 0.239 213 V C 2.582 178.681 176.094 0.009 0.000 1.041 213 V CA 1.252 63.565 62.300 0.020 0.000 1.051 213 V CB -0.351 31.441 31.823 -0.052 0.000 0.704 213 V HN 0.290 nan 8.190 nan 0.000 0.472 214 R N 0.147 120.637 120.500 -0.016 0.000 2.120 214 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 214 R C 1.937 178.240 176.300 0.004 0.000 1.123 214 R CA 1.126 57.213 56.100 -0.021 0.000 0.975 214 R CB 0.089 30.365 30.300 -0.040 0.000 0.866 214 R HN 0.278 nan 8.270 nan 0.000 0.446 215 R N -0.619 119.902 120.500 0.035 0.000 2.393 215 R HA 0.202 4.542 4.340 -0.000 0.000 0.244 215 R C 1.462 177.843 176.300 0.137 0.000 0.920 215 R CA 0.548 56.702 56.100 0.091 0.000 1.076 215 R CB 0.369 30.723 30.300 0.090 0.000 1.119 215 R HN 0.192 nan 8.270 nan 0.000 0.524 216 A N 1.472 124.343 122.820 0.086 0.000 1.883 216 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 216 A C 2.310 179.933 177.584 0.065 0.000 1.186 216 A CA 1.959 54.040 52.037 0.072 0.000 0.624 216 A CB -0.482 18.555 19.000 0.061 0.000 0.822 216 A HN 0.288 nan 8.150 nan 0.000 0.444 217 A N -1.471 121.390 122.820 0.069 0.000 1.908 217 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 217 A C 2.162 179.777 177.584 0.053 0.000 1.181 217 A CA 1.806 53.873 52.037 0.050 0.000 0.627 217 A CB -0.895 18.124 19.000 0.032 0.000 0.818 217 A HN 0.809 nan 8.150 nan 0.000 0.445 218 Y N 0.720 121.005 120.300 -0.024 0.000 2.097 218 Y HA -0.238 4.312 4.550 -0.000 0.000 0.282 218 Y C 2.484 178.378 175.900 -0.011 0.000 1.152 218 Y CA 2.174 60.261 58.100 -0.021 0.000 1.136 218 Y CB -0.376 38.070 38.460 -0.022 0.000 0.975 218 Y HN 0.259 nan 8.280 nan 0.000 0.498 219 R N 0.031 120.483 120.500 -0.080 0.000 2.091 219 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 219 R C 2.286 178.491 176.300 -0.158 0.000 1.136 219 R CA 2.051 58.054 56.100 -0.162 0.000 0.959 219 R CB -0.561 29.738 30.300 -0.003 0.000 0.856 219 R HN 0.432 nan 8.270 nan 0.000 0.437 220 I N 0.636 121.151 120.570 -0.092 0.000 2.202 220 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 220 I C 2.226 178.280 176.117 -0.106 0.000 1.091 220 I CA 0.984 62.234 61.300 -0.084 0.000 1.368 220 I CB -0.259 37.704 38.000 -0.062 0.000 1.058 220 I HN 0.091 nan 8.210 nan 0.000 0.410 221 I N 0.754 121.257 120.570 -0.112 0.000 2.286 221 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 221 I C 2.537 178.569 176.117 -0.141 0.000 1.115 221 I CA 1.588 62.828 61.300 -0.099 0.000 1.392 221 I CB -1.132 36.823 38.000 -0.076 0.000 1.065 221 I HN 0.309 nan 8.210 nan 0.000 0.418 222 E N 1.061 121.109 120.200 -0.254 0.000 2.118 222 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 222 E C 1.994 178.506 176.600 -0.147 0.000 0.992 222 E CA 1.619 57.858 56.400 -0.268 0.000 0.804 222 E CB -0.321 29.104 29.700 -0.460 0.000 0.741 222 E HN 0.421 nan 8.360 nan 0.000 0.458 223 G N -0.981 107.748 108.800 -0.118 0.000 3.159 223 G HA2 0.039 3.999 3.960 -0.000 0.000 0.232 223 G HA3 0.039 3.999 3.960 -0.000 0.000 0.232 223 G C 1.132 176.007 174.900 -0.042 0.000 1.116 223 G CA 0.121 45.180 45.100 -0.068 0.000 0.767 223 G HN 0.153 nan 8.290 nan 0.000 0.547 224 K N -1.101 119.271 120.400 -0.045 0.000 2.544 224 K HA 0.313 4.633 4.320 -0.000 0.000 0.213 224 K C 1.560 178.162 176.600 0.003 0.000 1.392 224 K CA 0.981 57.257 56.287 -0.018 0.000 0.980 224 K CB 0.450 32.924 32.500 -0.044 0.000 1.177 224 K HN 0.285 nan 8.250 nan 0.000 0.570 225 G N 0.696 109.487 108.800 -0.015 0.000 2.284 225 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.230 225 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.230 225 G C 0.090 175.003 174.900 0.020 0.000 1.021 225 G CA 0.171 45.272 45.100 0.002 0.000 0.619 225 G HN 0.783 nan 8.290 nan 0.000 0.510 226 A N -1.521 121.322 122.820 0.038 0.000 2.566 226 A HA 0.935 5.255 4.320 -0.000 0.000 0.290 226 A C -0.248 177.343 177.584 0.012 0.000 1.071 226 A CA 0.832 52.910 52.037 0.067 0.000 0.658 226 A CB 0.620 19.702 19.000 0.137 0.000 1.285 226 A HN 1.957 nan 8.150 nan 0.000 0.427 227 T N -1.680 112.882 114.554 0.013 0.000 2.885 227 T HA 0.746 5.096 4.350 -0.000 0.000 0.285 227 T C -0.064 174.625 174.700 -0.018 0.000 1.019 227 T CA 0.372 62.390 62.100 -0.136 0.000 1.010 227 T CB 1.168 70.009 68.868 -0.044 0.000 1.022 227 T HN 1.759 nan 8.240 nan 0.000 0.466 228 Y N -1.001 119.242 120.300 -0.095 0.000 2.623 228 Y HA 0.251 4.801 4.550 -0.000 0.000 0.274 228 Y C 1.515 177.413 175.900 -0.003 0.000 1.126 228 Y CA -0.745 57.297 58.100 -0.096 0.000 1.061 228 Y CB -0.387 37.958 38.460 -0.192 0.000 1.370 228 Y HN 0.483 nan 8.280 nan 0.000 0.537 229 Y N 2.471 122.725 120.300 -0.076 0.000 2.165 229 Y HA -0.015 4.535 4.550 -0.000 0.000 0.286 229 Y C 2.663 178.577 175.900 0.024 0.000 1.155 229 Y CA 1.608 59.729 58.100 0.035 0.000 1.164 229 Y CB -1.087 37.344 38.460 -0.048 0.000 0.978 229 Y HN 0.391 nan 8.280 nan 0.000 0.513 230 G N -0.426 108.458 108.800 0.141 0.000 2.421 230 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 230 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 230 G C 1.688 176.635 174.900 0.078 0.000 1.171 230 G CA 1.022 46.177 45.100 0.091 0.000 0.775 230 G HN 0.378 nan 8.290 nan 0.000 0.543 231 I N 1.806 122.421 120.570 0.074 0.000 2.546 231 I HA 0.115 4.285 4.170 -0.000 0.000 0.255 231 I C 2.637 178.792 176.117 0.063 0.000 1.163 231 I CA 1.116 62.448 61.300 0.052 0.000 1.457 231 I CB -0.522 37.509 38.000 0.052 0.000 1.092 231 I HN 0.085 nan 8.210 nan 0.000 0.434 232 G N 0.094 108.961 108.800 0.112 0.000 2.421 232 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 232 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 232 G C 1.717 176.666 174.900 0.082 0.000 1.171 232 G CA 0.727 45.898 45.100 0.119 0.000 0.775 232 G HN 0.550 nan 8.290 nan 0.000 0.543 233 A N 0.658 123.527 122.820 0.082 0.000 1.929 233 A HA 0.269 4.589 4.320 -0.000 0.000 0.216 233 A C 2.672 180.266 177.584 0.017 0.000 1.176 233 A CA 1.826 53.890 52.037 0.045 0.000 0.628 233 A CB -0.876 18.151 19.000 0.045 0.000 0.816 233 A HN 0.491 nan 8.150 nan 0.000 0.444 234 G N -0.034 108.776 108.800 0.016 0.000 2.418 234 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 234 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 234 G C 1.554 176.425 174.900 -0.049 0.000 1.158 234 G CA 1.026 46.118 45.100 -0.012 0.000 0.771 234 G HN 0.411 nan 8.290 nan 0.000 0.545 235 L N 0.599 121.802 121.223 -0.032 0.000 2.056 235 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 235 L C 3.444 180.281 176.870 -0.055 0.000 1.078 235 L CA 0.908 55.719 54.840 -0.048 0.000 0.749 235 L CB -0.425 41.621 42.059 -0.021 0.000 0.901 235 L HN 0.316 nan 8.230 nan 0.000 0.433 236 A N 0.213 123.016 122.820 -0.028 0.000 1.892 236 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 236 A C 2.328 179.879 177.584 -0.055 0.000 1.188 236 A CA 2.164 54.184 52.037 -0.030 0.000 0.631 236 A CB -0.534 18.461 19.000 -0.009 0.000 0.822 236 A HN 0.286 nan 8.150 nan 0.000 0.447 237 R N -0.053 120.408 120.500 -0.065 0.000 2.096 237 R HA 0.023 4.363 4.340 -0.000 0.000 0.235 237 R C 1.919 178.098 176.300 -0.201 0.000 1.127 237 R CA 1.485 57.530 56.100 -0.091 0.000 0.968 237 R CB -0.769 29.497 30.300 -0.057 0.000 0.861 237 R HN 0.552 nan 8.270 nan 0.000 0.440 238 L N -0.587 120.485 121.223 -0.252 0.000 2.093 238 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 238 L C 2.199 178.954 176.870 -0.190 0.000 1.085 238 L CA 0.978 55.621 54.840 -0.329 0.000 0.755 238 L CB -0.430 41.471 42.059 -0.264 0.000 0.904 238 L HN 0.046 nan 8.230 nan 0.000 0.435 239 V N -0.040 119.802 119.914 -0.120 0.000 2.343 239 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 239 V C 2.653 178.709 176.094 -0.064 0.000 1.051 239 V CA 1.849 64.103 62.300 -0.076 0.000 1.036 239 V CB -0.653 31.137 31.823 -0.054 0.000 0.654 239 V HN 0.459 nan 8.190 nan 0.000 0.451 240 R N 0.431 120.893 120.500 -0.065 0.000 2.096 240 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 240 R C 2.264 178.547 176.300 -0.029 0.000 1.127 240 R CA 1.656 57.731 56.100 -0.041 0.000 0.968 240 R CB -0.465 29.816 30.300 -0.032 0.000 0.861 240 R HN 0.469 nan 8.270 nan 0.000 0.440 241 A N 0.902 123.691 122.820 -0.050 0.000 1.902 241 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 241 A C 2.138 179.719 177.584 -0.006 0.000 1.181 241 A CA 1.470 53.501 52.037 -0.009 0.000 0.623 241 A CB -0.457 18.508 19.000 -0.058 0.000 0.818 241 A HN 0.385 nan 8.150 nan 0.000 0.443 242 I N -1.086 119.464 120.570 -0.034 0.000 2.286 242 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 242 I C 2.209 178.321 176.117 -0.008 0.000 1.104 242 I CA 0.680 61.969 61.300 -0.018 0.000 1.397 242 I CB -0.274 37.709 38.000 -0.030 0.000 1.072 242 I HN 0.208 nan 8.210 nan 0.000 0.417 243 L N 0.578 121.793 121.223 -0.014 0.000 2.083 243 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 243 L C 2.589 179.458 176.870 -0.001 0.000 1.083 243 L CA 2.293 57.128 54.840 -0.008 0.000 0.752 243 L CB -1.084 40.967 42.059 -0.014 0.000 0.899 243 L HN 0.412 nan 8.230 nan 0.000 0.433 244 T N -5.393 109.162 114.554 0.002 0.000 3.086 244 T HA 0.092 4.442 4.350 -0.000 0.000 0.250 244 T C 0.809 175.518 174.700 0.016 0.000 1.074 244 T CA 0.331 62.436 62.100 0.008 0.000 0.988 244 T CB -0.251 68.624 68.868 0.010 0.000 0.988 244 T HN 0.247 nan 8.240 nan 0.000 0.530 245 D N 1.485 121.896 120.400 0.017 0.000 2.708 245 D HA -0.212 4.428 4.640 -0.000 0.000 0.236 245 D C 0.795 177.115 176.300 0.033 0.000 1.146 245 D CA 0.982 54.996 54.000 0.023 0.000 0.662 245 D CB -1.334 39.477 40.800 0.018 0.000 1.059 245 D HN 0.734 nan 8.370 nan 0.000 0.428 246 E N 0.911 121.139 120.200 0.046 0.000 2.097 246 E HA -0.289 4.061 4.350 -0.000 0.000 0.196 246 E C 0.444 177.082 176.600 0.064 0.000 1.000 246 E CA 1.598 58.035 56.400 0.061 0.000 0.804 246 E CB 0.111 29.870 29.700 0.097 0.000 0.740 246 E HN 0.325 nan 8.360 nan 0.000 0.454 247 K N -0.755 119.690 120.400 0.076 0.000 3.167 247 K HA -0.127 4.193 4.320 -0.000 0.000 0.272 247 K C -0.112 176.527 176.600 0.065 0.000 1.137 247 K CA 0.851 57.176 56.287 0.064 0.000 0.800 247 K CB -2.449 30.073 32.500 0.037 0.000 1.253 247 K HN 0.345 nan 8.250 nan 0.000 0.497 248 G N -0.110 108.765 108.800 0.124 0.000 2.476 248 G HA2 0.471 4.431 3.960 -0.000 0.000 0.286 248 G HA3 0.471 4.431 3.960 -0.000 0.000 0.286 248 G C -0.048 174.801 174.900 -0.086 0.000 1.177 248 G CA -0.588 44.521 45.100 0.014 0.000 0.870 248 G HN 0.029 nan 8.290 nan 0.000 0.528 249 V N 1.804 121.544 119.914 -0.290 0.000 2.385 249 V HA 0.332 4.452 4.120 -0.000 0.000 0.269 249 V C -0.834 174.993 176.094 -0.445 0.000 1.043 249 V CA -0.076 62.095 62.300 -0.216 0.000 0.906 249 V CB -0.426 31.357 31.823 -0.066 0.000 0.995 249 V HN 0.562 nan 8.190 nan 0.000 0.467 250 Y N 1.485 121.794 120.300 0.015 0.000 2.512 250 Y HA 0.453 5.002 4.550 -0.000 0.000 0.348 250 Y C 0.730 176.606 175.900 -0.041 0.000 0.990 250 Y CA -1.165 56.942 58.100 0.010 0.000 1.033 250 Y CB 2.003 40.459 38.460 -0.005 0.000 1.259 250 Y HN 0.580 nan 8.280 nan 0.000 0.461 251 T N 0.609 115.232 114.554 0.115 0.000 3.176 251 T HA 0.534 4.884 4.350 -0.000 0.000 0.301 251 T C -0.324 174.379 174.700 0.005 0.000 1.115 251 T CA -0.525 61.570 62.100 -0.009 0.000 1.027 251 T CB -1.293 67.574 68.868 -0.002 0.000 1.063 251 T HN 0.517 nan 8.240 nan 0.000 0.669 252 V N -0.066 119.840 119.914 -0.012 0.000 3.046 252 V HA 0.808 4.928 4.120 -0.000 0.000 0.316 252 V C 0.199 176.264 176.094 -0.047 0.000 1.104 252 V CA -1.217 61.068 62.300 -0.026 0.000 1.006 252 V CB 1.727 33.542 31.823 -0.014 0.000 1.058 252 V HN 0.622 nan 8.190 nan 0.000 0.440 253 S N 1.141 116.815 115.700 -0.043 0.000 2.513 253 S HA 0.816 5.286 4.470 -0.000 0.000 0.276 253 S C -0.133 174.449 174.600 -0.030 0.000 1.254 253 S CA 0.374 58.550 58.200 -0.040 0.000 1.053 253 S CB 0.303 63.488 63.200 -0.026 0.000 0.958 253 S HN 1.922 nan 8.310 nan 0.000 0.491 254 A N 3.804 126.597 122.820 -0.045 0.000 2.604 254 A HA 0.592 4.912 4.320 -0.000 0.000 0.295 254 A C -1.018 176.528 177.584 -0.063 0.000 1.067 254 A CA -0.813 51.205 52.037 -0.032 0.000 0.683 254 A CB 0.527 19.505 19.000 -0.037 0.000 1.281 254 A HN 0.863 nan 8.150 nan 0.000 0.407 255 F N 2.207 122.013 119.950 -0.241 0.000 2.590 255 F HA 0.382 4.908 4.527 -0.000 0.000 0.389 255 F C 0.359 176.007 175.800 -0.253 0.000 1.049 255 F CA 1.228 59.023 58.000 -0.342 0.000 1.199 255 F CB 0.488 38.984 39.000 -0.840 0.000 1.058 255 F HN 0.429 nan 8.300 nan 0.000 0.556 256 T N 8.836 122.989 114.554 -0.668 0.000 2.770 256 T HA 0.236 4.586 4.350 -0.000 0.000 0.283 256 T C -1.767 172.595 174.700 -0.563 0.000 0.988 256 T CA -1.122 60.720 62.100 -0.430 0.000 0.957 256 T CB 1.706 70.415 68.868 -0.265 0.000 0.930 256 T HN 0.339 nan 8.240 nan 0.000 0.443 257 P HA -0.117 nan 4.420 nan 0.000 0.216 257 P C 0.345 177.559 177.300 -0.143 0.000 1.157 257 P CA 1.255 64.263 63.100 -0.153 0.000 0.880 257 P CB 0.369 32.068 31.700 -0.001 0.000 0.791 258 E N -1.047 119.091 120.200 -0.102 0.000 2.335 258 E HA 0.373 4.723 4.350 -0.000 0.000 0.280 258 E C -2.066 174.507 176.600 -0.045 0.000 0.918 258 E CA -0.804 55.554 56.400 -0.070 0.000 0.765 258 E CB 2.217 31.899 29.700 -0.031 0.000 1.218 258 E HN -0.189 nan 8.360 nan 0.000 0.425 259 V N 4.282 124.167 119.914 -0.048 0.000 2.509 259 V HA 0.338 4.458 4.120 -0.000 0.000 0.289 259 V C -0.285 175.801 176.094 -0.014 0.000 1.026 259 V CA 0.101 62.391 62.300 -0.018 0.000 0.872 259 V CB 1.124 32.923 31.823 -0.040 0.000 1.017 259 V HN 0.927 nan 8.190 nan 0.000 0.436 260 E N 4.684 124.883 120.200 -0.000 0.000 2.722 260 E HA -0.180 4.170 4.350 -0.000 0.000 0.265 260 E C 1.027 177.624 176.600 -0.005 0.000 1.081 260 E CA 1.900 58.300 56.400 -0.001 0.000 0.781 260 E CB -1.250 28.452 29.700 0.004 0.000 1.372 260 E HN 2.159 nan 8.360 nan 0.000 0.423 261 G N -2.858 105.936 108.800 -0.009 0.000 2.424 261 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.207 261 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.207 261 G C 0.282 175.180 174.900 -0.004 0.000 1.061 261 G CA -0.230 44.868 45.100 -0.004 0.000 0.657 261 G HN 0.637 nan 8.290 nan 0.000 0.508 262 V N 2.693 122.598 119.914 -0.014 0.000 2.775 262 V HA 0.571 4.691 4.120 -0.000 0.000 0.299 262 V C 0.842 176.908 176.094 -0.047 0.000 1.062 262 V CA 0.043 62.331 62.300 -0.020 0.000 1.063 262 V CB 1.428 33.230 31.823 -0.036 0.000 0.994 262 V HN 0.415 nan 8.190 nan 0.000 0.483 263 L N 3.109 124.310 121.223 -0.038 0.000 2.334 263 L HA 0.501 4.841 4.340 -0.000 0.000 0.273 263 L C 0.462 177.257 176.870 -0.124 0.000 1.013 263 L CA -0.714 54.092 54.840 -0.057 0.000 0.816 263 L CB 1.221 43.290 42.059 0.016 0.000 1.278 263 L HN 0.691 nan 8.230 nan 0.000 0.431 264 E N 0.407 120.477 120.200 -0.217 0.000 2.246 264 E HA -0.203 4.147 4.350 -0.000 0.000 0.173 264 E C -0.862 175.472 176.600 -0.443 0.000 1.532 264 E CA 0.165 56.320 56.400 -0.408 0.000 0.672 264 E CB -0.637 29.158 29.700 0.159 0.000 1.078 264 E HN 0.282 nan 8.360 nan 0.000 0.338 265 V N 0.427 120.001 119.914 -0.567 0.000 3.007 265 V HA 0.509 4.629 4.120 -0.000 0.000 0.311 265 V C -0.676 175.203 176.094 -0.358 0.000 1.120 265 V CA -0.479 61.617 62.300 -0.341 0.000 0.980 265 V CB 2.688 34.378 31.823 -0.221 0.000 1.033 265 V HN 0.224 nan 8.190 nan 0.000 0.429 266 S N 6.679 122.272 115.700 -0.178 0.000 2.433 266 S HA 0.809 5.279 4.470 -0.000 0.000 0.310 266 S C -0.542 174.004 174.600 -0.091 0.000 1.097 266 S CA -0.501 57.626 58.200 -0.122 0.000 1.103 266 S CB 0.731 63.922 63.200 -0.016 0.000 0.992 266 S HN 0.926 nan 8.310 nan 0.000 0.469 267 L N -0.254 120.911 121.223 -0.097 0.000 2.630 267 L HA 0.731 5.071 4.340 -0.000 0.000 0.258 267 L C -0.792 176.033 176.870 -0.075 0.000 1.072 267 L CA -1.045 53.753 54.840 -0.070 0.000 0.885 267 L CB 1.528 43.544 42.059 -0.072 0.000 1.502 267 L HN 0.327 nan 8.230 nan 0.000 0.406 268 S N 1.431 117.094 115.700 -0.060 0.000 2.528 268 S HA 0.747 5.217 4.470 -0.000 0.000 0.277 268 S C -0.333 174.198 174.600 -0.115 0.000 1.297 268 S CA -0.314 57.841 58.200 -0.075 0.000 1.052 268 S CB 0.320 63.490 63.200 -0.051 0.000 0.917 268 S HN 0.409 nan 8.310 nan 0.000 0.492 269 L N 3.441 124.570 121.223 -0.158 0.000 2.469 269 L HA 0.446 4.786 4.340 -0.000 0.000 0.256 269 L C -2.762 173.930 176.870 -0.297 0.000 1.006 269 L CA -2.707 51.986 54.840 -0.245 0.000 0.832 269 L CB 2.469 44.371 42.059 -0.262 0.000 1.421 269 L HN 0.319 nan 8.230 nan 0.000 0.410 270 P HA 0.188 nan 4.420 nan 0.000 0.269 270 P C -1.255 175.887 177.300 -0.263 0.000 1.252 270 P CA 0.154 62.989 63.100 -0.440 0.000 0.780 270 P CB 0.290 31.553 31.700 -0.728 0.000 0.829 271 R N 3.214 123.634 120.500 -0.134 0.000 2.740 271 R HA 0.540 4.880 4.340 -0.000 0.000 0.282 271 R C -0.121 176.179 176.300 0.000 0.000 0.969 271 R CA -1.094 54.958 56.100 -0.081 0.000 0.918 271 R CB 1.890 32.154 30.300 -0.060 0.000 1.175 271 R HN 0.398 nan 8.270 nan 0.000 0.464 272 I N 3.412 123.981 120.570 -0.002 0.000 2.379 272 I HA 0.080 4.250 4.170 -0.000 0.000 0.290 272 I C -0.471 175.688 176.117 0.070 0.000 1.063 272 I CA -0.392 60.929 61.300 0.034 0.000 1.351 272 I CB 0.664 38.674 38.000 0.017 0.000 1.410 272 I HN 0.208 nan 8.210 nan 0.000 0.505 273 L N 7.448 128.753 121.223 0.138 0.000 2.296 273 L HA 0.838 5.178 4.340 -0.000 0.000 0.286 273 L C 0.043 176.968 176.870 0.092 0.000 1.023 273 L CA 0.334 55.246 54.840 0.120 0.000 0.812 273 L CB 1.256 43.409 42.059 0.156 0.000 1.223 273 L HN 0.630 nan 8.230 nan 0.000 0.421 274 G N 2.296 111.125 108.800 0.049 0.000 3.021 274 G HA2 0.528 4.488 3.960 -0.000 0.000 0.290 274 G HA3 0.528 4.488 3.960 -0.000 0.000 0.290 274 G C 0.225 175.137 174.900 0.020 0.000 1.291 274 G CA -0.090 45.032 45.100 0.037 0.000 0.834 274 G HN 0.792 nan 8.290 nan 0.000 0.564 275 A N -1.022 121.808 122.820 0.017 0.000 2.032 275 A HA 0.174 4.494 4.320 -0.000 0.000 0.221 275 A C 2.134 179.724 177.584 0.011 0.000 1.165 275 A CA 2.498 54.542 52.037 0.011 0.000 0.645 275 A CB -0.612 18.395 19.000 0.012 0.000 0.807 275 A HN 1.484 nan 8.150 nan 0.000 0.453 276 G N -2.361 106.448 108.800 0.015 0.000 3.233 276 G HA2 0.490 4.450 3.960 -0.000 0.000 0.234 276 G HA3 0.490 4.450 3.960 -0.000 0.000 0.234 276 G C 0.795 175.706 174.900 0.019 0.000 1.137 276 G CA 0.605 45.715 45.100 0.017 0.000 0.763 276 G HN 1.567 nan 8.290 nan 0.000 0.549 277 G N -0.854 107.956 108.800 0.016 0.000 2.418 277 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.206 277 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.206 277 G C -0.419 174.493 174.900 0.019 0.000 1.202 277 G CA -0.352 44.757 45.100 0.015 0.000 1.061 277 G HN 0.645 nan 8.290 nan 0.000 0.563 278 V N 1.109 121.033 119.914 0.018 0.000 2.686 278 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 278 V C 1.248 177.353 176.094 0.017 0.000 1.055 278 V CA 1.379 63.688 62.300 0.015 0.000 1.050 278 V CB 1.547 33.370 31.823 0.000 0.000 0.984 278 V HN 0.828 nan 8.190 nan 0.000 0.482 279 E N 1.622 121.832 120.200 0.016 0.000 2.714 279 E HA 0.435 4.785 4.350 -0.000 0.000 0.219 279 E C 0.168 176.777 176.600 0.014 0.000 0.979 279 E CA 0.406 56.817 56.400 0.019 0.000 1.092 279 E CB 0.810 30.524 29.700 0.024 0.000 1.049 279 E HN 0.972 nan 8.360 nan 0.000 0.487 280 G N 0.288 109.087 108.800 -0.001 0.000 2.322 280 G HA2 0.020 3.980 3.960 -0.000 0.000 0.289 280 G HA3 0.020 3.980 3.960 -0.000 0.000 0.289 280 G C -0.703 174.157 174.900 -0.067 0.000 1.687 280 G CA -0.859 44.236 45.100 -0.008 0.000 0.944 280 G HN -0.043 nan 8.290 nan 0.000 0.718 281 T N 0.522 115.003 114.554 -0.122 0.000 2.875 281 T HA 0.573 4.923 4.350 -0.000 0.000 0.284 281 T C 0.121 174.577 174.700 -0.407 0.000 0.995 281 T CA -0.428 61.456 62.100 -0.361 0.000 1.060 281 T CB 1.858 70.346 68.868 -0.633 0.000 0.967 281 T HN 0.765 nan 8.240 nan 0.000 0.476 282 V N 4.232 123.897 119.914 -0.416 0.000 2.284 282 V HA 0.247 4.367 4.120 -0.000 0.000 0.274 282 V C -1.053 174.890 176.094 -0.251 0.000 1.023 282 V CA -0.982 61.194 62.300 -0.206 0.000 0.808 282 V CB -0.456 31.322 31.823 -0.076 0.000 1.035 282 V HN 0.782 nan 8.190 nan 0.000 0.445 283 Y N 6.250 126.533 120.300 -0.028 0.000 2.531 283 Y HA 0.433 4.982 4.550 -0.000 0.000 0.347 283 Y C -1.027 174.886 175.900 0.022 0.000 1.024 283 Y CA -2.533 55.552 58.100 -0.025 0.000 1.306 283 Y CB -0.229 38.220 38.460 -0.018 0.000 1.149 283 Y HN 0.455 nan 8.280 nan 0.000 0.527 284 P HA 0.173 nan 4.420 nan 0.000 0.279 284 P C -0.433 176.968 177.300 0.168 0.000 1.276 284 P CA -0.733 62.489 63.100 0.203 0.000 0.801 284 P CB 1.448 33.335 31.700 0.312 0.000 1.127 285 S N -0.081 115.712 115.700 0.155 0.000 2.531 285 S HA 0.309 4.779 4.470 -0.000 0.000 0.279 285 S C -0.127 174.546 174.600 0.122 0.000 1.305 285 S CA -0.494 57.778 58.200 0.119 0.000 1.058 285 S CB -0.903 62.358 63.200 0.101 0.000 0.899 285 S HN 0.274 nan 8.310 nan 0.000 0.493 286 L N 4.144 125.426 121.223 0.099 0.000 2.346 286 L HA 0.516 4.856 4.340 -0.000 0.000 0.274 286 L C 0.404 177.321 176.870 0.078 0.000 1.007 286 L CA -0.839 54.057 54.840 0.094 0.000 0.818 286 L CB 2.283 44.390 42.059 0.080 0.000 1.284 286 L HN 0.775 nan 8.230 nan 0.000 0.424 287 S N 1.105 116.855 115.700 0.084 0.000 2.632 287 S HA 0.399 4.869 4.470 -0.000 0.000 0.271 287 S C -2.070 172.562 174.600 0.054 0.000 1.260 287 S CA -1.168 57.074 58.200 0.069 0.000 1.010 287 S CB 1.540 64.787 63.200 0.078 0.000 0.965 287 S HN 0.373 nan 8.310 nan 0.000 0.534 288 P HA -0.167 nan 4.420 nan 0.000 0.216 288 P C 1.063 178.382 177.300 0.032 0.000 1.157 288 P CA 1.605 64.723 63.100 0.031 0.000 0.880 288 P CB -0.033 31.681 31.700 0.024 0.000 0.791 289 E N -0.159 120.062 120.200 0.035 0.000 2.038 289 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 289 E C 1.964 178.590 176.600 0.042 0.000 1.000 289 E CA 1.446 57.866 56.400 0.034 0.000 0.803 289 E CB -1.003 28.718 29.700 0.035 0.000 0.750 289 E HN 0.430 nan 8.360 nan 0.000 0.448 290 E N 0.408 120.644 120.200 0.059 0.000 2.058 290 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 290 E C 2.143 178.770 176.600 0.045 0.000 0.997 290 E CA 0.843 57.281 56.400 0.064 0.000 0.801 290 E CB -0.065 29.688 29.700 0.089 0.000 0.746 290 E HN 0.110 nan 8.360 nan 0.000 0.450 291 R N 0.815 121.341 120.500 0.043 0.000 2.103 291 R HA -0.184 4.156 4.340 -0.000 0.000 0.242 291 R C 2.268 178.581 176.300 0.022 0.000 1.142 291 R CA 1.308 57.428 56.100 0.033 0.000 0.960 291 R CB -0.449 29.869 30.300 0.030 0.000 0.858 291 R HN 0.146 nan 8.270 nan 0.000 0.439 292 E N 0.869 121.082 120.200 0.022 0.000 2.077 292 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 292 E C 1.847 178.454 176.600 0.012 0.000 0.989 292 E CA 1.590 57.999 56.400 0.015 0.000 0.800 292 E CB -0.250 29.459 29.700 0.014 0.000 0.746 292 E HN 0.301 nan 8.360 nan 0.000 0.452 293 A N 0.714 123.544 122.820 0.015 0.000 1.933 293 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 293 A C 2.359 179.945 177.584 0.003 0.000 1.175 293 A CA 1.293 53.336 52.037 0.010 0.000 0.628 293 A CB -0.733 18.277 19.000 0.016 0.000 0.814 293 A HN 0.394 nan 8.150 nan 0.000 0.444 294 L N -1.071 120.156 121.223 0.007 0.000 2.093 294 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 294 L C 2.791 179.658 176.870 -0.006 0.000 1.085 294 L CA 1.279 56.118 54.840 -0.001 0.000 0.755 294 L CB -0.344 41.719 42.059 0.005 0.000 0.904 294 L HN 0.405 nan 8.230 nan 0.000 0.435 295 R N 0.273 120.773 120.500 0.000 0.000 2.075 295 R HA -0.212 4.128 4.340 -0.000 0.000 0.232 295 R C 2.274 178.572 176.300 -0.003 0.000 1.126 295 R CA 1.440 57.539 56.100 -0.002 0.000 0.963 295 R CB -0.263 30.039 30.300 0.004 0.000 0.858 295 R HN 0.233 nan 8.270 nan 0.000 0.435 296 R N 0.140 120.639 120.500 -0.001 0.000 2.070 296 R HA -0.051 4.289 4.340 -0.000 0.000 0.233 296 R C 2.434 178.730 176.300 -0.007 0.000 1.137 296 R CA 2.135 58.234 56.100 -0.002 0.000 0.945 296 R CB -0.826 29.473 30.300 -0.002 0.000 0.845 296 R HN 0.119 nan 8.270 nan 0.000 0.430 297 S N -0.682 115.011 115.700 -0.012 0.000 2.382 297 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 297 S C 1.879 176.466 174.600 -0.023 0.000 1.027 297 S CA 1.212 59.402 58.200 -0.018 0.000 0.991 297 S CB -0.380 62.808 63.200 -0.019 0.000 0.823 297 S HN 0.517 nan 8.310 nan 0.000 0.469 298 A N 0.785 123.589 122.820 -0.026 0.000 1.898 298 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 298 A C 1.992 179.555 177.584 -0.035 0.000 1.181 298 A CA 1.595 53.608 52.037 -0.040 0.000 0.620 298 A CB -0.689 18.285 19.000 -0.043 0.000 0.819 298 A HN 0.653 nan 8.150 nan 0.000 0.442 299 E N -0.280 119.910 120.200 -0.016 0.000 2.038 299 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 299 E C 1.884 178.487 176.600 0.004 0.000 1.000 299 E CA 1.330 57.731 56.400 0.002 0.000 0.803 299 E CB -0.296 29.413 29.700 0.015 0.000 0.750 299 E HN 0.680 nan 8.360 nan 0.000 0.448 300 I N 0.904 121.474 120.570 -0.001 0.000 2.145 300 I HA -0.349 3.821 4.170 -0.000 0.000 0.244 300 I C 2.315 178.428 176.117 -0.007 0.000 1.075 300 I CA 1.226 62.526 61.300 0.000 0.000 1.332 300 I CB -0.270 37.725 38.000 -0.008 0.000 1.033 300 I HN 0.168 nan 8.210 nan 0.000 0.410 301 L N 0.054 121.262 121.223 -0.025 0.000 2.109 301 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 301 L C 2.553 179.384 176.870 -0.065 0.000 1.086 301 L CA 0.898 55.715 54.840 -0.039 0.000 0.760 301 L CB -0.514 41.515 42.059 -0.050 0.000 0.910 301 L HN 0.125 nan 8.230 nan 0.000 0.437 302 K N 0.843 121.191 120.400 -0.087 0.000 2.097 302 K HA -0.234 4.086 4.320 -0.000 0.000 0.206 302 K C 1.943 178.455 176.600 -0.147 0.000 1.049 302 K CA 1.580 57.757 56.287 -0.183 0.000 0.933 302 K CB -0.127 32.285 32.500 -0.145 0.000 0.717 302 K HN 0.299 nan 8.250 nan 0.000 0.442 303 E N -0.636 119.575 120.200 0.018 0.000 2.031 303 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 303 E C 1.787 178.451 176.600 0.106 0.000 0.994 303 E CA 1.229 57.706 56.400 0.128 0.000 0.800 303 E CB -0.263 29.495 29.700 0.098 0.000 0.752 303 E HN 0.354 nan 8.360 nan 0.000 0.447 304 A N 1.293 124.142 122.820 0.047 0.000 1.908 304 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 304 A C 2.423 180.049 177.584 0.070 0.000 1.181 304 A CA 2.060 54.127 52.037 0.050 0.000 0.627 304 A CB -0.968 18.042 19.000 0.018 0.000 0.818 304 A HN 0.448 nan 8.150 nan 0.000 0.445 305 A N -0.833 121.996 122.820 0.015 0.000 1.873 305 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 305 A C 1.949 179.591 177.584 0.096 0.000 1.193 305 A CA 1.843 53.895 52.037 0.025 0.000 0.629 305 A CB -0.864 18.062 19.000 -0.124 0.000 0.826 305 A HN 0.451 nan 8.150 nan 0.000 0.447 306 F N 0.099 120.105 119.950 0.093 0.000 2.095 306 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 306 F C 2.873 178.702 175.800 0.047 0.000 1.104 306 F CA 0.713 58.751 58.000 0.063 0.000 1.232 306 F CB -1.057 37.968 39.000 0.042 0.000 0.987 306 F HN 0.260 nan 8.300 nan 0.000 0.475 307 A N -0.852 122.120 122.820 0.253 0.000 2.076 307 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 307 A C 2.042 179.701 177.584 0.125 0.000 1.160 307 A CA 1.454 53.580 52.037 0.149 0.000 0.653 307 A CB -0.825 18.242 19.000 0.112 0.000 0.801 307 A HN 0.348 nan 8.150 nan 0.000 0.455 308 L N -2.008 119.313 121.223 0.164 0.000 2.554 308 L HA 0.347 4.687 4.340 -0.000 0.000 0.225 308 L C 1.367 178.296 176.870 0.099 0.000 1.104 308 L CA 1.340 56.297 54.840 0.196 0.000 0.866 308 L CB 0.093 42.341 42.059 0.315 0.000 1.047 308 L HN 0.667 nan 8.230 nan 0.000 0.468 309 G N -1.285 107.531 108.800 0.026 0.000 2.207 309 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 309 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 309 G C -0.071 174.489 174.900 -0.566 0.000 1.053 309 G CA 0.152 45.114 45.100 -0.229 0.000 0.764 309 G HN 0.157 nan 8.290 nan 0.000 0.495 310 F N 0.000 119.998 119.950 0.081 0.000 2.286 310 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 310 F CA 0.000 58.037 58.000 0.062 0.000 1.383 310 F CB 0.000 39.027 39.000 0.045 0.000 1.145 310 F HN 0.000 nan 8.300 nan 0.000 0.574