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 2ipi_1_B DATA FIRST_RESID 10 DATA SEQUENCE ALVKVDRVDR RYQDLVTRGF NGRFRGRPDV VYVVHTADQV VDAVNQAMAA DATA SEQUENCE GQRIAVRSGG HCFEGFVDDP AVRAVIDMSQ MRQVFYDSGK RAFAVEPGAT DATA SEQUENCE LGETYRALYL DWGVTIPAGV CPQVGVGGHV LGGGYGPLSR RDGVVADHLY DATA SEQUENCE AVEVVVVDAS GRARKVVATS AADDPNRELW WAHTGGGGGN FGIVTRYWFR DATA SEQUENCE TPGATGTDPS QLLPKAPTST LRHIVTWDWS ALTEEAFTRI IDNHGAWHQS DATA SEQUENCE NSAAGTPYAS MHSVFYLNSR AAGQILLDIQ IDGGLDGAEA LLNDFVAAVN DATA SEQUENCE EGTGVEPAVQ RSTEPWLRAT LANKFDTGGF DRTKSKGAYL RKPWTAAQAA DATA SEQUENCE TLYRHLSADS QVWGEVSLYS YGGKVNSVPE TATATAQRDS IIKVWMSATW DATA SEQUENCE MDPAHDDANL AWIREIYREI FATTGGVPVP DDRTEGTFIN YPDVDLVDER DATA SEQUENCE WNTSGVPWYT LYYKGNYPRL QKVKARWDPR DVFRHALSVR PP 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.422 177.584 -0.269 0.000 1.274 10 A CA 0.000 51.776 52.037 -0.436 0.000 0.836 10 A CB 0.000 18.633 19.000 -0.612 0.000 0.831 11 L N 0.921 122.122 121.223 -0.037 0.000 2.475 11 L HA 0.460 4.800 4.340 0.000 0.000 0.250 11 L C 1.215 178.233 176.870 0.247 0.000 1.224 11 L CA -0.508 54.392 54.840 0.100 0.000 0.821 11 L CB 0.725 42.826 42.059 0.070 0.000 1.141 11 L HN 0.847 nan 8.230 nan 0.000 0.494 12 V N 1.010 121.053 119.914 0.215 0.000 2.901 12 V HA 0.065 4.185 4.120 0.000 0.000 0.307 12 V C -0.057 176.160 176.094 0.206 0.000 1.084 12 V CA -0.070 62.361 62.300 0.218 0.000 1.184 12 V CB 0.466 32.394 31.823 0.175 0.000 0.941 12 V HN 0.599 nan 8.190 nan 0.000 0.493 13 K N 4.644 125.156 120.400 0.185 0.000 2.270 13 K HA 0.664 4.984 4.320 0.000 0.000 0.255 13 K C -1.481 175.167 176.600 0.081 0.000 0.936 13 K CA -0.662 55.707 56.287 0.135 0.000 0.809 13 K CB 2.168 34.750 32.500 0.137 0.000 1.131 13 K HN 0.646 nan 8.250 nan 0.000 0.427 14 V N 2.885 122.811 119.914 0.020 0.000 2.444 14 V HA 0.221 4.341 4.120 0.000 0.000 0.294 14 V C -1.235 174.804 176.094 -0.092 0.000 1.022 14 V CA -0.975 61.253 62.300 -0.120 0.000 0.850 14 V CB 1.747 33.498 31.823 -0.120 0.000 0.992 14 V HN 0.700 nan 8.190 nan 0.000 0.426 15 D N 3.941 124.276 120.400 -0.109 0.000 2.440 15 D HA 0.602 5.242 4.640 0.000 0.000 0.239 15 D C 0.467 176.777 176.300 0.016 0.000 1.084 15 D CA -0.714 53.278 54.000 -0.013 0.000 0.843 15 D CB 1.847 42.672 40.800 0.043 0.000 1.097 15 D HN 0.431 nan 8.370 nan 0.000 0.531 16 R N 1.311 121.801 120.500 -0.016 0.000 2.144 16 R HA 0.195 4.535 4.340 0.000 0.000 0.195 16 R C 1.073 177.273 176.300 -0.166 0.000 1.077 16 R CA -0.066 55.996 56.100 -0.063 0.000 1.120 16 R CB 0.164 30.420 30.300 -0.073 0.000 1.060 16 R HN 0.347 nan 8.270 nan 0.000 0.520 17 V N -0.669 119.165 119.914 -0.133 0.000 3.172 17 V HA 0.294 4.415 4.120 0.000 0.000 0.343 17 V C -0.798 175.247 176.094 -0.082 0.000 1.429 17 V CA -0.685 61.514 62.300 -0.169 0.000 1.149 17 V CB 0.068 31.816 31.823 -0.126 0.000 1.106 17 V HN 0.136 nan 8.190 nan 0.000 0.526 18 D N 0.597 120.980 120.400 -0.029 0.000 2.283 18 D HA 0.318 4.958 4.640 0.000 0.000 0.248 18 D C 1.216 177.548 176.300 0.053 0.000 1.072 18 D CA -0.365 53.646 54.000 0.018 0.000 0.929 18 D CB 1.674 42.492 40.800 0.031 0.000 1.182 18 D HN 0.093 nan 8.370 nan 0.000 0.433 19 R N 0.684 121.209 120.500 0.043 0.000 2.200 19 R HA -0.019 4.321 4.340 0.000 0.000 0.234 19 R C 1.795 178.138 176.300 0.071 0.000 1.127 19 R CA 1.195 57.324 56.100 0.050 0.000 0.989 19 R CB -0.015 30.305 30.300 0.032 0.000 0.869 19 R HN 0.436 nan 8.270 nan 0.000 0.459 20 R N -1.380 119.165 120.500 0.077 0.000 2.275 20 R HA -0.040 4.301 4.340 0.000 0.000 0.199 20 R C 1.382 177.733 176.300 0.085 0.000 0.989 20 R CA 0.456 56.596 56.100 0.067 0.000 1.016 20 R CB -0.127 30.204 30.300 0.052 0.000 0.918 20 R HN 0.286 nan 8.270 nan 0.000 0.473 21 Y N 1.950 122.246 120.300 -0.008 0.000 2.053 21 Y HA -0.364 4.186 4.550 0.000 0.000 0.277 21 Y C 2.455 178.353 175.900 -0.003 0.000 1.159 21 Y CA 1.713 59.807 58.100 -0.009 0.000 1.125 21 Y CB 0.102 38.555 38.460 -0.012 0.000 0.969 21 Y HN -0.031 nan 8.280 nan 0.000 0.492 22 Q N 0.371 120.229 119.800 0.097 0.000 2.135 22 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 22 Q C 1.938 177.893 176.000 -0.075 0.000 0.981 22 Q CA 1.763 57.559 55.803 -0.010 0.000 0.856 22 Q CB -0.602 28.174 28.738 0.064 0.000 0.902 22 Q HN 0.609 nan 8.270 nan 0.000 0.425 23 D N -0.382 119.997 120.400 -0.035 0.000 2.117 23 D HA -0.132 4.509 4.640 0.000 0.000 0.197 23 D C 1.769 178.032 176.300 -0.063 0.000 0.987 23 D CA 0.596 54.575 54.000 -0.035 0.000 0.829 23 D CB 0.240 41.036 40.800 -0.006 0.000 0.961 23 D HN 0.132 nan 8.370 nan 0.000 0.460 24 L N 0.484 121.652 121.223 -0.092 0.000 2.156 24 L HA -0.048 4.292 4.340 0.000 0.000 0.208 24 L C 2.257 179.033 176.870 -0.158 0.000 1.095 24 L CA 0.916 55.693 54.840 -0.105 0.000 0.770 24 L CB -0.776 41.224 42.059 -0.098 0.000 0.914 24 L HN -0.072 nan 8.230 nan 0.000 0.439 25 V N -0.678 119.074 119.914 -0.271 0.000 3.541 25 V HA -0.047 4.073 4.120 0.000 0.000 0.267 25 V C 1.743 177.746 176.094 -0.150 0.000 1.213 25 V CA 1.300 63.430 62.300 -0.283 0.000 1.149 25 V CB -0.252 31.236 31.823 -0.558 0.000 0.822 25 V HN 0.664 nan 8.190 nan 0.000 0.462 26 T N -3.605 110.881 114.554 -0.113 0.000 3.186 26 T HA 0.201 4.551 4.350 0.000 0.000 0.257 26 T C 1.433 176.099 174.700 -0.056 0.000 1.029 26 T CA -0.167 61.889 62.100 -0.073 0.000 0.916 26 T CB -0.263 68.566 68.868 -0.066 0.000 1.041 26 T HN 0.392 nan 8.240 nan 0.000 0.562 27 R N 0.829 121.301 120.500 -0.047 0.000 2.276 27 R HA 0.221 4.561 4.340 0.000 0.000 0.203 27 R C 1.508 177.800 176.300 -0.014 0.000 1.017 27 R CA 0.139 56.224 56.100 -0.026 0.000 1.010 27 R CB -0.173 30.117 30.300 -0.016 0.000 0.900 27 R HN 0.549 nan 8.270 nan 0.000 0.469 28 G N -0.357 108.439 108.800 -0.007 0.000 2.614 28 G HA2 -0.083 3.877 3.960 0.000 0.000 0.239 28 G HA3 -0.083 3.877 3.960 0.000 0.000 0.239 28 G C 0.252 175.150 174.900 -0.003 0.000 1.240 28 G CA -0.486 44.626 45.100 0.020 0.000 0.842 28 G HN 0.210 nan 8.290 nan 0.000 0.584 29 F N 1.180 121.021 119.950 -0.181 0.000 2.113 29 F HA 0.004 4.531 4.527 0.000 0.000 0.297 29 F C 1.338 177.071 175.800 -0.111 0.000 1.103 29 F CA 0.859 58.717 58.000 -0.238 0.000 1.248 29 F CB -0.026 38.699 39.000 -0.459 0.000 0.999 29 F HN 0.470 nan 8.300 nan 0.000 0.475 30 N N 0.305 118.953 118.700 -0.087 0.000 2.402 30 N HA 0.133 4.873 4.740 0.000 0.000 0.252 30 N C 1.229 176.549 175.510 -0.317 0.000 1.118 30 N CA 0.305 53.211 53.050 -0.241 0.000 0.945 30 N CB 0.818 39.340 38.487 0.058 0.000 1.147 30 N HN 0.419 nan 8.380 nan 0.000 0.495 31 G N 3.021 111.576 108.800 -0.409 0.000 2.516 31 G HA2 -0.251 3.710 3.960 0.000 0.000 0.221 31 G HA3 -0.251 3.710 3.960 0.000 0.000 0.221 31 G C 1.448 176.120 174.900 -0.380 0.000 1.107 31 G CA 0.367 45.260 45.100 -0.344 0.000 0.747 31 G HN 0.644 nan 8.290 nan 0.000 0.567 32 R N -0.979 119.167 120.500 -0.591 0.000 2.193 32 R HA 0.016 4.356 4.340 0.000 0.000 0.229 32 R C -0.354 175.432 176.300 -0.857 0.000 1.110 32 R CA 0.523 56.120 56.100 -0.838 0.000 0.988 32 R CB -0.064 29.419 30.300 -1.361 0.000 0.871 32 R HN 0.404 nan 8.270 nan 0.000 0.458 33 F N 0.156 120.074 119.950 -0.053 0.000 2.579 33 F HA 0.431 4.958 4.527 0.000 0.000 0.325 33 F C -0.167 175.614 175.800 -0.032 0.000 1.162 33 F CA -1.081 56.903 58.000 -0.028 0.000 0.946 33 F CB 1.254 40.241 39.000 -0.021 0.000 1.211 33 F HN -0.381 nan 8.300 nan 0.000 0.447 34 R N 1.707 122.281 120.500 0.124 0.000 2.439 34 R HA 0.612 4.952 4.340 0.000 0.000 0.310 34 R C 0.133 176.475 176.300 0.069 0.000 0.955 34 R CA -0.770 55.365 56.100 0.058 0.000 0.853 34 R CB 2.115 32.422 30.300 0.012 0.000 1.171 34 R HN 0.828 nan 8.270 nan 0.000 0.449 35 G N 1.174 110.001 108.800 0.045 0.000 2.562 35 G HA2 0.335 4.295 3.960 0.000 0.000 0.275 35 G HA3 0.335 4.295 3.960 0.000 0.000 0.275 35 G C -0.148 174.785 174.900 0.056 0.000 1.196 35 G CA -0.613 44.517 45.100 0.050 0.000 0.908 35 G HN 0.428 nan 8.290 nan 0.000 0.524 36 R N 1.130 121.687 120.500 0.095 0.000 2.674 36 R HA 0.216 4.556 4.340 0.000 0.000 0.270 36 R C -2.429 173.985 176.300 0.190 0.000 1.492 36 R CA -1.070 55.133 56.100 0.171 0.000 1.624 36 R CB 1.575 31.960 30.300 0.142 0.000 1.307 36 R HN 0.450 nan 8.270 nan 0.000 0.683 37 P HA 0.092 nan 4.420 nan 0.000 0.274 37 P C -0.273 177.152 177.300 0.209 0.000 1.246 37 P CA -0.202 62.999 63.100 0.169 0.000 0.795 37 P CB 1.133 32.911 31.700 0.131 0.000 1.006 38 D N -0.826 119.647 120.400 0.122 0.000 2.224 38 D HA 0.013 4.653 4.640 0.000 0.000 0.205 38 D C 0.524 176.864 176.300 0.067 0.000 0.965 38 D CA 1.057 55.099 54.000 0.070 0.000 0.852 38 D CB 0.222 41.047 40.800 0.041 0.000 0.947 38 D HN 0.086 nan 8.370 nan 0.000 0.494 39 V N 0.202 120.164 119.914 0.081 0.000 3.012 39 V HA 0.358 4.478 4.120 0.000 0.000 0.307 39 V C -1.617 174.468 176.094 -0.015 0.000 1.166 39 V CA -0.758 61.526 62.300 -0.028 0.000 0.974 39 V CB 2.624 34.323 31.823 -0.208 0.000 1.040 39 V HN -0.238 nan 8.190 nan 0.000 0.428 40 V N 6.461 126.337 119.914 -0.064 0.000 2.409 40 V HA 0.498 4.618 4.120 0.000 0.000 0.291 40 V C -1.182 174.841 176.094 -0.118 0.000 1.020 40 V CA -0.622 61.654 62.300 -0.040 0.000 0.848 40 V CB 1.497 33.306 31.823 -0.023 0.000 0.990 40 V HN 0.801 nan 8.190 nan 0.000 0.430 41 Y N 3.241 123.561 120.300 0.034 0.000 2.367 41 Y HA 0.471 5.021 4.550 0.000 0.000 0.342 41 Y C 0.258 176.147 175.900 -0.018 0.000 0.979 41 Y CA -0.519 57.592 58.100 0.018 0.000 1.161 41 Y CB 1.771 40.247 38.460 0.026 0.000 1.155 41 Y HN 0.406 nan 8.280 nan 0.000 0.503 42 V N 6.227 126.196 119.914 0.091 0.000 2.334 42 V HA 0.275 4.395 4.120 0.000 0.000 0.267 42 V C -0.143 175.826 176.094 -0.207 0.000 1.040 42 V CA -0.811 61.461 62.300 -0.046 0.000 0.866 42 V CB 0.385 32.181 31.823 -0.043 0.000 1.019 42 V HN 0.567 nan 8.190 nan 0.000 0.468 43 V N 2.023 121.801 119.914 -0.227 0.000 2.617 43 V HA 0.581 4.701 4.120 0.000 0.000 0.298 43 V C 0.330 176.168 176.094 -0.426 0.000 1.048 43 V CA -0.195 61.964 62.300 -0.235 0.000 0.964 43 V CB 1.204 32.988 31.823 -0.064 0.000 1.004 43 V HN 0.834 nan 8.190 nan 0.000 0.466 44 H N 1.043 120.146 119.070 0.054 0.000 3.457 44 H HA 0.323 4.879 4.556 0.000 0.000 0.255 44 H C 0.841 176.194 175.328 0.041 0.000 1.082 44 H CA 0.702 56.778 56.048 0.047 0.000 1.189 44 H CB 0.832 30.620 29.762 0.044 0.000 1.511 44 H HN 0.948 nan 8.280 nan 0.000 0.527 45 T N -3.077 111.557 114.554 0.135 0.000 2.864 45 T HA 0.677 5.028 4.350 0.000 0.000 0.289 45 T C 1.283 176.016 174.700 0.055 0.000 1.082 45 T CA -0.366 61.789 62.100 0.091 0.000 1.009 45 T CB 1.853 70.773 68.868 0.087 0.000 1.234 45 T HN 0.030 nan 8.240 nan 0.000 0.526 46 A N 0.514 123.363 122.820 0.047 0.000 1.898 46 A HA 0.006 4.326 4.320 0.000 0.000 0.216 46 A C 1.904 179.503 177.584 0.025 0.000 1.181 46 A CA 1.590 53.643 52.037 0.028 0.000 0.620 46 A CB -1.116 17.901 19.000 0.029 0.000 0.819 46 A HN 0.903 nan 8.150 nan 0.000 0.442 47 D N -0.167 120.253 120.400 0.034 0.000 2.182 47 D HA -0.171 4.469 4.640 0.000 0.000 0.201 47 D C 2.049 178.364 176.300 0.024 0.000 0.986 47 D CA 1.444 55.461 54.000 0.029 0.000 0.847 47 D CB -0.317 40.503 40.800 0.034 0.000 0.942 47 D HN 0.642 nan 8.370 nan 0.000 0.467 48 Q N 0.128 119.949 119.800 0.035 0.000 2.230 48 Q HA -0.043 4.297 4.340 0.000 0.000 0.202 48 Q C 2.384 178.379 176.000 -0.009 0.000 0.963 48 Q CA 0.392 56.213 55.803 0.031 0.000 0.866 48 Q CB 0.298 29.079 28.738 0.071 0.000 0.931 48 Q HN 0.157 nan 8.270 nan 0.000 0.452 49 V N 0.176 120.086 119.914 -0.007 0.000 2.307 49 V HA -0.219 3.901 4.120 0.000 0.000 0.245 49 V C 2.226 178.302 176.094 -0.031 0.000 1.045 49 V CA 1.325 63.610 62.300 -0.025 0.000 1.024 49 V CB -0.397 31.419 31.823 -0.012 0.000 0.651 49 V HN 0.167 nan 8.190 nan 0.000 0.449 50 V N 0.596 120.506 119.914 -0.008 0.000 2.324 50 V HA -0.313 3.807 4.120 0.000 0.000 0.250 50 V C 2.411 178.488 176.094 -0.028 0.000 1.060 50 V CA 2.475 64.775 62.300 0.000 0.000 1.042 50 V CB -0.647 31.184 31.823 0.014 0.000 0.650 50 V HN 0.639 nan 8.190 nan 0.000 0.450 51 D N -0.060 120.315 120.400 -0.041 0.000 2.123 51 D HA -0.089 4.551 4.640 0.000 0.000 0.200 51 D C 2.196 178.403 176.300 -0.154 0.000 0.976 51 D CA 1.457 55.424 54.000 -0.055 0.000 0.831 51 D CB -0.074 40.715 40.800 -0.017 0.000 0.974 51 D HN 0.351 nan 8.370 nan 0.000 0.469 52 A N 0.293 122.954 122.820 -0.264 0.000 1.892 52 A HA -0.171 4.149 4.320 0.000 0.000 0.218 52 A C 2.631 179.936 177.584 -0.465 0.000 1.188 52 A CA 1.981 53.633 52.037 -0.642 0.000 0.631 52 A CB -0.922 17.774 19.000 -0.506 0.000 0.822 52 A HN 0.221 nan 8.150 nan 0.000 0.447 53 V N 0.657 120.457 119.914 -0.190 0.000 2.379 53 V HA -0.209 3.911 4.120 0.000 0.000 0.245 53 V C 2.277 178.332 176.094 -0.064 0.000 1.044 53 V CA 1.991 64.249 62.300 -0.069 0.000 1.036 53 V CB -0.940 30.914 31.823 0.051 0.000 0.664 53 V HN 0.546 nan 8.190 nan 0.000 0.453 54 N N 0.215 118.881 118.700 -0.056 0.000 2.149 54 N HA -0.191 4.549 4.740 0.000 0.000 0.188 54 N C 1.908 177.401 175.510 -0.028 0.000 1.019 54 N CA 1.442 54.473 53.050 -0.030 0.000 0.857 54 N CB -0.298 38.180 38.487 -0.016 0.000 0.997 54 N HN 0.615 nan 8.380 nan 0.000 0.426 55 Q N 0.382 120.151 119.800 -0.053 0.000 2.046 55 Q HA 0.028 4.368 4.340 0.000 0.000 0.200 55 Q C 2.161 178.185 176.000 0.042 0.000 0.975 55 Q CA 1.492 57.300 55.803 0.008 0.000 0.836 55 Q CB -0.202 28.565 28.738 0.048 0.000 0.896 55 Q HN 0.371 nan 8.270 nan 0.000 0.428 56 A N 1.065 123.894 122.820 0.015 0.000 1.902 56 A HA -0.192 4.128 4.320 0.000 0.000 0.217 56 A C 2.110 179.712 177.584 0.030 0.000 1.181 56 A CA 1.524 53.602 52.037 0.068 0.000 0.623 56 A CB -0.532 18.508 19.000 0.066 0.000 0.818 56 A HN 0.289 nan 8.150 nan 0.000 0.443 57 M N -0.627 118.971 119.600 -0.004 0.000 2.175 57 M HA -0.117 4.363 4.480 0.000 0.000 0.264 57 M C 2.443 178.743 176.300 -0.001 0.000 1.063 57 M CA 1.318 56.608 55.300 -0.017 0.000 1.119 57 M CB -0.380 32.198 32.600 -0.037 0.000 1.377 57 M HN 0.461 nan 8.290 nan 0.000 0.415 58 A N 0.140 122.965 122.820 0.009 0.000 2.070 58 A HA 0.035 4.355 4.320 0.000 0.000 0.220 58 A C 2.096 179.694 177.584 0.023 0.000 1.159 58 A CA 1.768 53.814 52.037 0.015 0.000 0.656 58 A CB -0.622 18.390 19.000 0.020 0.000 0.800 58 A HN 0.518 nan 8.150 nan 0.000 0.453 59 A N -2.127 120.713 122.820 0.034 0.000 2.348 59 A HA 0.457 4.777 4.320 0.000 0.000 0.224 59 A C 1.674 179.278 177.584 0.033 0.000 1.227 59 A CA 1.006 53.067 52.037 0.041 0.000 0.885 59 A CB -0.666 18.374 19.000 0.065 0.000 0.933 59 A HN 1.770 nan 8.150 nan 0.000 0.506 60 G N -0.222 108.591 108.800 0.022 0.000 2.179 60 G HA2 -0.296 3.664 3.960 0.000 0.000 0.257 60 G HA3 -0.296 3.664 3.960 0.000 0.000 0.257 60 G C -0.006 174.905 174.900 0.019 0.000 1.010 60 G CA 0.525 45.633 45.100 0.012 0.000 0.736 60 G HN 0.672 nan 8.290 nan 0.000 0.513 61 Q N -0.191 119.631 119.800 0.036 0.000 2.307 61 Q HA 0.361 4.701 4.340 0.000 0.000 0.259 61 Q C 0.808 176.832 176.000 0.040 0.000 0.998 61 Q CA -0.521 55.313 55.803 0.050 0.000 0.923 61 Q CB 0.990 29.779 28.738 0.085 0.000 1.196 61 Q HN 0.463 nan 8.270 nan 0.000 0.416 62 R N 3.503 124.023 120.500 0.033 0.000 2.522 62 R HA 0.091 4.431 4.340 0.000 0.000 0.284 62 R C -0.702 175.630 176.300 0.053 0.000 1.032 62 R CA 0.041 56.154 56.100 0.022 0.000 1.049 62 R CB 0.307 30.619 30.300 0.021 0.000 0.956 62 R HN 0.614 nan 8.270 nan 0.000 0.422 63 I N 3.161 123.760 120.570 0.048 0.000 2.532 63 I HA 0.367 4.537 4.170 0.000 0.000 0.292 63 I C 0.021 176.232 176.117 0.157 0.000 1.014 63 I CA -0.119 61.248 61.300 0.112 0.000 1.340 63 I CB 1.710 39.782 38.000 0.120 0.000 1.422 63 I HN 0.774 nan 8.210 nan 0.000 0.528 64 A N 5.332 128.252 122.820 0.168 0.000 2.574 64 A HA 0.730 5.050 4.320 0.000 0.000 0.297 64 A C -1.325 176.344 177.584 0.141 0.000 1.062 64 A CA -0.500 51.636 52.037 0.164 0.000 0.686 64 A CB 1.568 20.647 19.000 0.132 0.000 1.285 64 A HN 0.349 nan 8.150 nan 0.000 0.403 65 V N 1.631 121.616 119.914 0.118 0.000 2.435 65 V HA 0.684 4.804 4.120 0.000 0.000 0.290 65 V C 0.246 176.379 176.094 0.064 0.000 1.030 65 V CA -0.612 61.736 62.300 0.080 0.000 0.881 65 V CB 1.429 33.276 31.823 0.040 0.000 0.983 65 V HN 0.884 nan 8.190 nan 0.000 0.445 66 R N 2.436 122.969 120.500 0.056 0.000 2.513 66 R HA 0.583 4.923 4.340 0.000 0.000 0.301 66 R C -0.039 176.286 176.300 0.042 0.000 0.968 66 R CA -0.175 55.953 56.100 0.047 0.000 0.872 66 R CB 2.232 32.556 30.300 0.041 0.000 1.177 66 R HN 0.851 nan 8.270 nan 0.000 0.444 67 S N 1.801 117.528 115.700 0.045 0.000 2.783 67 S HA 0.124 4.595 4.470 0.000 0.000 0.205 67 S C 1.367 175.993 174.600 0.044 0.000 0.910 67 S CA 0.418 58.645 58.200 0.045 0.000 0.861 67 S CB 0.074 63.309 63.200 0.058 0.000 0.830 67 S HN 0.785 nan 8.310 nan 0.000 0.630 68 G N -0.270 108.559 108.800 0.048 0.000 2.662 68 G HA2 0.412 4.372 3.960 0.000 0.000 0.212 68 G HA3 0.412 4.372 3.960 0.000 0.000 0.212 68 G C 0.946 175.920 174.900 0.124 0.000 1.141 68 G CA 0.448 45.595 45.100 0.079 0.000 0.797 68 G HN 1.042 nan 8.290 nan 0.000 0.531 69 G N -0.454 108.394 108.800 0.079 0.000 2.132 69 G HA2 -0.255 3.705 3.960 0.000 0.000 0.234 69 G HA3 -0.255 3.705 3.960 0.000 0.000 0.234 69 G C 0.742 175.647 174.900 0.009 0.000 0.989 69 G CA 0.491 45.617 45.100 0.043 0.000 0.676 69 G HN 0.556 nan 8.290 nan 0.000 0.522 70 H N -0.947 118.081 119.070 -0.069 0.000 2.539 70 H HA 0.142 4.698 4.556 0.000 0.000 0.269 70 H C 1.740 176.906 175.328 -0.269 0.000 0.980 70 H CA 0.422 56.353 56.048 -0.195 0.000 1.152 70 H CB 0.218 29.742 29.762 -0.396 0.000 1.407 70 H HN 0.474 nan 8.280 nan 0.000 0.564 71 C N 1.833 121.089 119.300 -0.074 0.000 2.106 71 C HA -0.180 4.280 4.460 0.000 0.000 0.402 71 C C 1.924 176.939 174.990 0.041 0.000 1.548 71 C CA 0.288 59.253 59.018 -0.087 0.000 1.432 71 C CB -2.100 25.612 27.740 -0.046 0.000 2.584 71 C HN 0.483 nan 8.230 nan 0.000 0.604 72 F N 1.609 121.594 119.950 0.058 0.000 2.407 72 F HA -0.041 4.486 4.527 0.000 0.000 0.299 72 F C 2.293 178.162 175.800 0.114 0.000 1.097 72 F CA 0.767 58.868 58.000 0.169 0.000 1.422 72 F CB 0.136 39.279 39.000 0.238 0.000 1.067 72 F HN 0.685 nan 8.300 nan 0.000 0.539 73 E N -0.210 119.976 120.200 -0.023 0.000 2.481 73 E HA 0.101 4.451 4.350 0.000 0.000 0.198 73 E C 1.364 177.569 176.600 -0.659 0.000 1.027 73 E CA 0.515 56.669 56.400 -0.410 0.000 0.900 73 E CB 0.476 29.567 29.700 -1.015 0.000 0.993 73 E HN 0.335 nan 8.360 nan 0.000 0.482 74 G N 1.758 110.398 108.800 -0.266 0.000 2.305 74 G HA2 -0.307 3.653 3.960 0.000 0.000 0.287 74 G HA3 -0.307 3.653 3.960 0.000 0.000 0.287 74 G C 0.644 175.414 174.900 -0.217 0.000 1.036 74 G CA 0.497 45.533 45.100 -0.107 0.000 0.887 74 G HN 0.362 nan 8.290 nan 0.000 0.505 75 F N -0.773 119.085 119.950 -0.153 0.000 2.192 75 F HA -0.194 4.333 4.527 0.000 0.000 0.301 75 F C 2.741 178.497 175.800 -0.074 0.000 1.079 75 F CA 1.196 59.102 58.000 -0.158 0.000 1.303 75 F CB -0.176 38.662 39.000 -0.270 0.000 1.024 75 F HN 0.275 nan 8.300 nan 0.000 0.494 76 V N -0.617 119.372 119.914 0.125 0.000 2.490 76 V HA -0.277 3.843 4.120 0.000 0.000 0.250 76 V C 1.337 177.478 176.094 0.079 0.000 1.061 76 V CA 1.838 64.196 62.300 0.097 0.000 1.064 76 V CB -0.397 31.470 31.823 0.073 0.000 0.670 76 V HN 0.297 nan 8.190 nan 0.000 0.461 77 D N -0.526 119.912 120.400 0.065 0.000 2.328 77 D HA 0.035 4.675 4.640 0.000 0.000 0.221 77 D C 0.708 177.045 176.300 0.061 0.000 1.072 77 D CA 0.029 54.071 54.000 0.070 0.000 0.850 77 D CB -0.009 40.856 40.800 0.108 0.000 0.922 77 D HN 0.445 nan 8.370 nan 0.000 0.516 78 D N 1.647 122.076 120.400 0.047 0.000 2.488 78 D HA -0.050 4.590 4.640 0.000 0.000 0.238 78 D C -1.511 174.824 176.300 0.058 0.000 1.138 78 D CA -1.173 52.851 54.000 0.041 0.000 0.873 78 D CB 1.949 42.787 40.800 0.063 0.000 1.183 78 D HN -0.033 nan 8.370 nan 0.000 0.458 79 P HA -0.047 nan 4.420 nan 0.000 0.228 79 P C 0.527 177.862 177.300 0.059 0.000 1.151 79 P CA 0.664 63.802 63.100 0.063 0.000 0.770 79 P CB 0.163 31.899 31.700 0.061 0.000 0.786 80 A N -0.919 121.932 122.820 0.053 0.000 2.178 80 A HA 0.095 4.415 4.320 0.000 0.000 0.211 80 A C 0.977 178.593 177.584 0.053 0.000 1.157 80 A CA 0.164 52.229 52.037 0.047 0.000 0.780 80 A CB -0.624 18.399 19.000 0.037 0.000 0.828 80 A HN 0.020 nan 8.150 nan 0.000 0.476 81 V N 1.234 121.187 119.914 0.064 0.000 2.572 81 V HA 0.126 4.246 4.120 0.000 0.000 0.291 81 V C 1.140 177.282 176.094 0.079 0.000 1.039 81 V CA 0.155 62.500 62.300 0.074 0.000 1.055 81 V CB 0.842 32.716 31.823 0.084 0.000 0.969 81 V HN 0.478 nan 8.190 nan 0.000 0.482 82 R N 2.793 123.343 120.500 0.084 0.000 2.513 82 R HA 0.424 4.764 4.340 0.000 0.000 0.245 82 R C 0.215 176.583 176.300 0.112 0.000 0.908 82 R CA 0.428 56.582 56.100 0.090 0.000 1.023 82 R CB 0.813 31.156 30.300 0.072 0.000 1.338 82 R HN 0.644 nan 8.270 nan 0.000 0.575 83 A N 1.329 124.228 122.820 0.132 0.000 2.357 83 A HA 0.548 4.868 4.320 0.000 0.000 0.295 83 A C -0.799 176.893 177.584 0.180 0.000 1.121 83 A CA -0.574 51.577 52.037 0.189 0.000 0.742 83 A CB 1.626 20.790 19.000 0.272 0.000 1.181 83 A HN -0.043 nan 8.150 nan 0.000 0.454 84 V N 5.565 125.577 119.914 0.163 0.000 2.427 84 V HA 0.702 4.822 4.120 0.000 0.000 0.286 84 V C -0.289 175.913 176.094 0.179 0.000 1.034 84 V CA -0.768 61.614 62.300 0.137 0.000 0.893 84 V CB 1.154 33.022 31.823 0.076 0.000 0.982 84 V HN 0.813 nan 8.190 nan 0.000 0.452 85 I N 3.636 124.297 120.570 0.152 0.000 2.328 85 I HA 0.563 4.734 4.170 0.000 0.000 0.287 85 I C -0.743 175.426 176.117 0.086 0.000 1.012 85 I CA -0.254 61.133 61.300 0.144 0.000 1.195 85 I CB 1.302 39.367 38.000 0.108 0.000 1.350 85 I HN 0.568 nan 8.210 nan 0.000 0.464 86 D N 7.665 128.108 120.400 0.073 0.000 2.233 86 D HA 0.360 5.000 4.640 0.000 0.000 0.240 86 D C 0.395 176.701 176.300 0.009 0.000 1.074 86 D CA -0.457 53.565 54.000 0.036 0.000 0.838 86 D CB 1.819 42.634 40.800 0.024 0.000 1.124 86 D HN 0.596 nan 8.370 nan 0.000 0.475 87 M N 2.631 122.239 119.600 0.014 0.000 2.475 87 M HA 0.007 4.487 4.480 0.000 0.000 0.261 87 M C 1.658 177.968 176.300 0.016 0.000 1.177 87 M CA -0.152 55.154 55.300 0.010 0.000 0.979 87 M CB -0.034 32.582 32.600 0.027 0.000 1.482 87 M HN 0.268 nan 8.290 nan 0.000 0.484 88 S N 0.585 116.293 115.700 0.014 0.000 2.423 88 S HA -0.103 4.368 4.470 0.000 0.000 0.231 88 S C 1.573 176.199 174.600 0.043 0.000 1.014 88 S CA 0.772 58.989 58.200 0.028 0.000 0.965 88 S CB -0.166 63.049 63.200 0.026 0.000 0.785 88 S HN 0.529 nan 8.310 nan 0.000 0.495 89 Q N 0.243 120.068 119.800 0.042 0.000 2.360 89 Q HA 0.337 4.677 4.340 0.000 0.000 0.202 89 Q C -0.042 176.030 176.000 0.119 0.000 0.915 89 Q CA 0.259 56.125 55.803 0.105 0.000 0.943 89 Q CB -0.034 28.813 28.738 0.181 0.000 1.064 89 Q HN 0.640 nan 8.270 nan 0.000 0.511 90 M N 1.234 120.879 119.600 0.074 0.000 2.158 90 M HA 0.316 4.796 4.480 0.000 0.000 0.326 90 M C 0.065 176.410 176.300 0.075 0.000 1.014 90 M CA 0.035 55.384 55.300 0.082 0.000 0.961 90 M CB 0.892 33.530 32.600 0.062 0.000 1.327 90 M HN -0.115 nan 8.290 nan 0.000 0.393 91 R N 0.164 120.713 120.500 0.083 0.000 2.629 91 R HA 0.254 4.594 4.340 0.000 0.000 0.386 91 R C -0.196 176.163 176.300 0.099 0.000 1.071 91 R CA -0.372 55.774 56.100 0.077 0.000 1.104 91 R CB 0.720 31.059 30.300 0.065 0.000 1.370 91 R HN 0.589 nan 8.270 nan 0.000 0.574 92 Q N 1.562 121.437 119.800 0.125 0.000 2.313 92 Q HA 0.203 4.543 4.340 0.000 0.000 0.266 92 Q C -0.591 175.541 176.000 0.220 0.000 0.989 92 Q CA 0.348 56.266 55.803 0.191 0.000 0.890 92 Q CB 2.024 30.900 28.738 0.230 0.000 1.200 92 Q HN -0.022 nan 8.270 nan 0.000 0.396 93 V N 5.697 125.774 119.914 0.271 0.000 2.482 93 V HA 0.564 4.684 4.120 0.000 0.000 0.295 93 V C -0.716 175.629 176.094 0.419 0.000 1.026 93 V CA -0.740 61.700 62.300 0.233 0.000 0.856 93 V CB 0.624 32.563 31.823 0.193 0.000 1.001 93 V HN 0.677 nan 8.190 nan 0.000 0.424 94 F N 3.155 123.242 119.950 0.228 0.000 2.693 94 F HA 0.713 5.240 4.527 0.000 0.000 0.309 94 F C -1.575 174.408 175.800 0.305 0.000 1.129 94 F CA -1.487 56.718 58.000 0.342 0.000 0.948 94 F CB 1.382 40.502 39.000 0.199 0.000 1.315 94 F HN 0.422 nan 8.300 nan 0.000 0.447 95 Y N 2.540 123.080 120.300 0.400 0.000 2.313 95 Y HA 0.390 4.940 4.550 0.000 0.000 0.332 95 Y C -0.558 175.452 175.900 0.183 0.000 1.071 95 Y CA -0.458 57.594 58.100 -0.079 0.000 1.169 95 Y CB 0.729 38.949 38.460 -0.400 0.000 1.192 95 Y HN 0.778 nan 8.280 nan 0.000 0.487 96 D N 3.489 123.481 120.400 -0.680 0.000 2.303 96 D HA 0.148 4.788 4.640 0.000 0.000 0.236 96 D C 0.183 176.033 176.300 -0.750 0.000 1.068 96 D CA -0.139 53.692 54.000 -0.281 0.000 0.830 96 D CB 1.866 42.818 40.800 0.254 0.000 1.109 96 D HN 0.770 nan 8.370 nan 0.000 0.496 97 S N 2.434 117.954 115.700 -0.299 0.000 2.368 97 S HA -0.074 4.396 4.470 0.000 0.000 0.225 97 S C 1.922 176.426 174.600 -0.159 0.000 1.030 97 S CA 0.858 58.972 58.200 -0.142 0.000 0.999 97 S CB -0.222 63.006 63.200 0.046 0.000 0.844 97 S HN 0.666 nan 8.310 nan 0.000 0.459 98 G N 2.406 111.128 108.800 -0.130 0.000 2.484 98 G HA2 -0.175 3.785 3.960 0.000 0.000 0.215 98 G HA3 -0.175 3.785 3.960 0.000 0.000 0.215 98 G C 1.381 176.166 174.900 -0.192 0.000 1.219 98 G CA 0.566 45.592 45.100 -0.124 0.000 0.791 98 G HN 0.311 nan 8.290 nan 0.000 0.550 99 K N 0.027 120.271 120.400 -0.260 0.000 2.360 99 K HA -0.035 4.285 4.320 0.000 0.000 0.201 99 K C 1.086 177.477 176.600 -0.348 0.000 1.046 99 K CA 0.252 56.336 56.287 -0.338 0.000 0.940 99 K CB -0.084 32.104 32.500 -0.521 0.000 0.748 99 K HN 0.281 nan 8.250 nan 0.000 0.465 100 R N -0.842 119.451 120.500 -0.345 0.000 3.422 100 R HA -0.230 4.110 4.340 0.000 0.000 0.267 100 R C -0.967 175.153 176.300 -0.300 0.000 1.074 100 R CA 0.560 56.492 56.100 -0.281 0.000 0.718 100 R CB -1.401 28.775 30.300 -0.207 0.000 1.157 100 R HN 0.301 nan 8.270 nan 0.000 0.440 101 A N -0.148 122.437 122.820 -0.392 0.000 2.605 101 A HA 0.631 4.951 4.320 0.000 0.000 0.294 101 A C -1.094 176.432 177.584 -0.097 0.000 1.062 101 A CA -0.762 51.202 52.037 -0.122 0.000 0.682 101 A CB 0.845 19.864 19.000 0.031 0.000 1.278 101 A HN 0.134 nan 8.150 nan 0.000 0.410 102 F N 1.210 121.208 119.950 0.080 0.000 2.404 102 F HA 0.596 5.123 4.527 0.000 0.000 0.345 102 F C 0.977 176.583 175.800 -0.323 0.000 1.110 102 F CA 0.131 58.068 58.000 -0.106 0.000 1.130 102 F CB 1.810 40.782 39.000 -0.047 0.000 1.129 102 F HN 0.738 nan 8.300 nan 0.000 0.500 103 A N 3.023 125.371 122.820 -0.788 0.000 2.309 103 A HA 0.735 5.055 4.320 0.000 0.000 0.298 103 A C -0.713 176.488 177.584 -0.638 0.000 1.165 103 A CA -0.590 50.637 52.037 -1.350 0.000 0.821 103 A CB 0.849 18.349 19.000 -2.501 0.000 1.102 103 A HN 0.897 nan 8.150 nan 0.000 0.500 104 V N 0.703 120.405 119.914 -0.354 0.000 2.623 104 V HA 0.577 4.697 4.120 0.000 0.000 0.304 104 V C -0.615 175.491 176.094 0.019 0.000 1.054 104 V CA -0.689 61.584 62.300 -0.045 0.000 0.882 104 V CB 1.442 33.355 31.823 0.150 0.000 1.002 104 V HN 0.908 nan 8.190 nan 0.000 0.424 105 E N 6.470 126.696 120.200 0.043 0.000 2.301 105 E HA 0.354 4.704 4.350 0.000 0.000 0.275 105 E C -1.797 174.873 176.600 0.117 0.000 1.030 105 E CA -1.901 54.539 56.400 0.068 0.000 0.852 105 E CB 1.910 31.652 29.700 0.070 0.000 1.060 105 E HN 0.653 nan 8.360 nan 0.000 0.401 106 P HA -0.107 nan 4.420 nan 0.000 0.230 106 P C 0.966 178.321 177.300 0.092 0.000 1.158 106 P CA 0.744 63.947 63.100 0.172 0.000 0.769 106 P CB 0.251 32.042 31.700 0.152 0.000 0.807 107 G N 0.290 109.131 108.800 0.067 0.000 2.494 107 G HA2 0.113 4.073 3.960 0.000 0.000 0.216 107 G HA3 0.113 4.073 3.960 0.000 0.000 0.216 107 G C 0.787 175.707 174.900 0.034 0.000 1.140 107 G CA 0.381 45.510 45.100 0.048 0.000 0.801 107 G HN 0.456 nan 8.290 nan 0.000 0.536 108 A N 0.099 122.940 122.820 0.035 0.000 2.531 108 A HA 0.476 4.796 4.320 0.000 0.000 0.236 108 A C 0.632 178.194 177.584 -0.036 0.000 1.062 108 A CA 0.345 52.388 52.037 0.010 0.000 0.760 108 A CB 0.088 19.098 19.000 0.016 0.000 0.995 108 A HN 0.157 nan 8.150 nan 0.000 0.501 109 T N 1.455 115.974 114.554 -0.059 0.000 2.913 109 T HA 0.366 4.716 4.350 0.000 0.000 0.287 109 T C 1.642 176.221 174.700 -0.201 0.000 1.008 109 T CA -0.457 61.574 62.100 -0.114 0.000 1.067 109 T CB 0.212 69.038 68.868 -0.071 0.000 0.996 109 T HN 0.469 nan 8.240 nan 0.000 0.513 110 L N 2.569 123.607 121.223 -0.307 0.000 2.079 110 L HA -0.016 4.324 4.340 0.000 0.000 0.210 110 L C 2.743 179.357 176.870 -0.428 0.000 1.081 110 L CA 1.591 56.141 54.840 -0.484 0.000 0.752 110 L CB -0.799 40.940 42.059 -0.534 0.000 0.896 110 L HN 0.870 nan 8.230 nan 0.000 0.433 111 G N -0.419 108.280 108.800 -0.169 0.000 2.421 111 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 111 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 111 G C 1.410 176.317 174.900 0.011 0.000 1.171 111 G CA 0.486 45.584 45.100 -0.004 0.000 0.775 111 G HN 0.399 nan 8.290 nan 0.000 0.543 112 E N 0.052 120.234 120.200 -0.030 0.000 2.110 112 E HA -0.147 4.203 4.350 0.000 0.000 0.193 112 E C 2.911 179.519 176.600 0.014 0.000 0.988 112 E CA 1.563 57.968 56.400 0.009 0.000 0.804 112 E CB -0.251 29.453 29.700 0.006 0.000 0.745 112 E HN 0.613 nan 8.360 nan 0.000 0.458 113 T N -1.564 112.941 114.554 -0.082 0.000 2.867 113 T HA -0.167 4.183 4.350 0.000 0.000 0.268 113 T C 1.842 176.542 174.700 -0.000 0.000 1.057 113 T CA 0.897 62.943 62.100 -0.089 0.000 1.136 113 T CB -0.584 68.139 68.868 -0.242 0.000 0.874 113 T HN 0.261 nan 8.240 nan 0.000 0.466 114 Y N 2.628 122.953 120.300 0.042 0.000 2.200 114 Y HA -0.109 4.441 4.550 0.000 0.000 0.290 114 Y C 3.046 179.066 175.900 0.199 0.000 1.137 114 Y CA 1.200 59.371 58.100 0.118 0.000 1.163 114 Y CB -0.160 38.345 38.460 0.076 0.000 0.988 114 Y HN 0.270 nan 8.280 nan 0.000 0.518 115 R N 0.660 121.341 120.500 0.303 0.000 2.070 115 R HA -0.124 4.216 4.340 0.000 0.000 0.233 115 R C 2.339 178.777 176.300 0.230 0.000 1.137 115 R CA 1.404 57.658 56.100 0.257 0.000 0.945 115 R CB -1.005 29.392 30.300 0.160 0.000 0.845 115 R HN 0.169 nan 8.270 nan 0.000 0.430 116 A N 1.172 124.104 122.820 0.186 0.000 1.969 116 A HA -0.021 4.299 4.320 0.000 0.000 0.218 116 A C 2.142 179.872 177.584 0.244 0.000 1.169 116 A CA 0.887 53.023 52.037 0.165 0.000 0.635 116 A CB -0.247 18.867 19.000 0.190 0.000 0.810 116 A HN 0.242 nan 8.150 nan 0.000 0.445 117 L N -2.033 119.388 121.223 0.330 0.000 2.109 117 L HA -0.053 4.287 4.340 0.000 0.000 0.207 117 L C 2.269 179.349 176.870 0.350 0.000 1.086 117 L CA 1.554 56.652 54.840 0.431 0.000 0.760 117 L CB -1.420 40.719 42.059 0.133 0.000 0.910 117 L HN 0.591 nan 8.230 nan 0.000 0.437 118 Y N -0.109 120.284 120.300 0.156 0.000 2.130 118 Y HA -0.173 4.377 4.550 0.000 0.000 0.287 118 Y C 2.387 178.309 175.900 0.037 0.000 1.124 118 Y CA 1.523 59.675 58.100 0.087 0.000 1.118 118 Y CB -0.274 38.291 38.460 0.175 0.000 0.994 118 Y HN 0.026 nan 8.280 nan 0.000 0.497 119 L N -0.227 121.001 121.223 0.009 0.000 2.083 119 L HA -0.209 4.131 4.340 0.000 0.000 0.209 119 L C 1.831 178.525 176.870 -0.293 0.000 1.083 119 L CA 1.602 56.352 54.840 -0.149 0.000 0.752 119 L CB -0.533 41.516 42.059 -0.017 0.000 0.899 119 L HN 0.204 nan 8.230 nan 0.000 0.433 120 D N -1.507 118.650 120.400 -0.404 0.000 2.213 120 D HA -0.107 4.533 4.640 0.000 0.000 0.205 120 D C 1.662 177.446 176.300 -0.860 0.000 0.961 120 D CA 1.042 54.525 54.000 -0.862 0.000 0.853 120 D CB 0.192 39.974 40.800 -1.697 0.000 0.967 120 D HN 0.360 nan 8.370 nan 0.000 0.496 121 W N -0.745 120.518 121.300 -0.062 0.000 2.324 121 W HA 0.313 4.973 4.660 0.000 0.000 0.316 121 W C 0.940 177.372 176.519 -0.143 0.000 0.927 121 W CA 0.183 57.491 57.345 -0.063 0.000 1.438 121 W CB 0.094 29.582 29.460 0.046 0.000 1.085 121 W HN 0.033 nan 8.180 nan 0.000 0.532 122 G N 1.953 110.679 108.800 -0.124 0.000 2.168 122 G HA2 -0.263 3.697 3.960 0.000 0.000 0.257 122 G HA3 -0.263 3.697 3.960 0.000 0.000 0.257 122 G C -0.216 174.644 174.900 -0.068 0.000 0.997 122 G CA 0.733 45.678 45.100 -0.258 0.000 0.708 122 G HN 0.034 nan 8.290 nan 0.000 0.520 123 V N -1.006 118.923 119.914 0.025 0.000 3.158 123 V HA 0.990 5.110 4.120 0.000 0.000 0.315 123 V C 0.470 176.524 176.094 -0.067 0.000 1.148 123 V CA 0.070 62.342 62.300 -0.046 0.000 1.042 123 V CB 2.140 33.927 31.823 -0.061 0.000 1.101 123 V HN 0.492 nan 8.190 nan 0.000 0.448 124 T N 1.259 115.716 114.554 -0.161 0.000 2.665 124 T HA 0.662 5.012 4.350 0.000 0.000 0.303 124 T C -1.241 173.354 174.700 -0.175 0.000 1.334 124 T CA -0.505 61.529 62.100 -0.110 0.000 1.011 124 T CB 1.814 70.562 68.868 -0.199 0.000 1.573 124 T HN 0.852 nan 8.240 nan 0.000 0.492 125 I N -1.301 119.215 120.570 -0.090 0.000 2.769 125 I HA 0.602 4.772 4.170 0.000 0.000 0.298 125 I C -2.885 173.195 176.117 -0.061 0.000 1.128 125 I CA -3.061 58.112 61.300 -0.213 0.000 1.031 125 I CB 2.813 40.574 38.000 -0.399 0.000 1.235 125 I HN 0.298 nan 8.210 nan 0.000 0.423 126 P HA 0.293 nan 4.420 nan 0.000 0.225 126 P C -0.091 177.237 177.300 0.047 0.000 1.813 126 P CA 0.174 63.268 63.100 -0.010 0.000 1.013 126 P CB 0.256 31.951 31.700 -0.008 0.000 1.961 127 A N 1.420 124.304 122.820 0.107 0.000 2.378 127 A HA 0.746 5.066 4.320 0.000 0.000 0.293 127 A C 0.878 178.539 177.584 0.128 0.000 1.250 127 A CA -0.268 51.863 52.037 0.157 0.000 0.915 127 A CB -0.304 18.741 19.000 0.075 0.000 1.402 127 A HN 0.344 nan 8.150 nan 0.000 0.502 128 G N -2.058 106.795 108.800 0.088 0.000 2.684 128 G HA2 0.385 4.345 3.960 0.000 0.000 0.255 128 G HA3 0.385 4.345 3.960 0.000 0.000 0.255 128 G C 0.730 175.515 174.900 -0.191 0.000 1.219 128 G CA 0.258 45.257 45.100 -0.169 0.000 0.901 128 G HN 0.717 nan 8.290 nan 0.000 0.548 129 V N -0.469 119.283 119.914 -0.271 0.000 2.488 129 V HA -0.064 4.056 4.120 0.000 0.000 0.246 129 V C 1.345 177.166 176.094 -0.456 0.000 1.046 129 V CA 0.562 62.728 62.300 -0.224 0.000 1.053 129 V CB -0.620 31.166 31.823 -0.062 0.000 0.679 129 V HN 0.573 nan 8.190 nan 0.000 0.458 130 C N 2.417 121.323 119.300 -0.657 0.000 2.482 130 C HA 0.271 4.732 4.460 0.000 0.000 0.378 130 C C -0.446 174.154 174.990 -0.650 0.000 1.284 130 C CA -0.706 57.704 59.018 -1.012 0.000 1.826 130 C CB 0.394 27.608 27.740 -0.877 0.000 2.473 130 C HN 0.374 nan 8.230 nan 0.000 0.562 131 P HA -0.115 nan 4.420 nan 0.000 0.221 131 P C 1.371 178.531 177.300 -0.234 0.000 1.150 131 P CA 1.028 63.985 63.100 -0.239 0.000 0.800 131 P CB 0.062 31.707 31.700 -0.092 0.000 0.787 132 Q N -0.416 119.232 119.800 -0.252 0.000 2.451 132 Q HA 0.043 4.383 4.340 0.000 0.000 0.206 132 Q C 0.146 175.975 176.000 -0.285 0.000 0.947 132 Q CA 0.043 55.757 55.803 -0.148 0.000 0.937 132 Q CB 0.050 28.808 28.738 0.034 0.000 1.025 132 Q HN 0.027 nan 8.270 nan 0.000 0.511 133 V N 0.940 120.508 119.914 -0.577 0.000 2.740 133 V HA 0.100 4.220 4.120 0.000 0.000 0.303 133 V C 0.814 176.686 176.094 -0.371 0.000 1.054 133 V CA 0.329 62.204 62.300 -0.707 0.000 1.106 133 V CB 1.047 32.364 31.823 -0.843 0.000 0.957 133 V HN 0.347 nan 8.190 nan 0.000 0.486 134 G N 3.080 111.753 108.800 -0.212 0.000 2.444 134 G HA2 0.381 4.341 3.960 0.000 0.000 0.268 134 G HA3 0.381 4.341 3.960 0.000 0.000 0.268 134 G C 0.873 175.712 174.900 -0.102 0.000 1.203 134 G CA -0.422 44.612 45.100 -0.111 0.000 0.835 134 G HN 0.549 nan 8.290 nan 0.000 0.543 135 V N 2.838 122.712 119.914 -0.067 0.000 2.358 135 V HA -0.093 4.027 4.120 0.000 0.000 0.246 135 V C 3.051 179.175 176.094 0.050 0.000 1.047 135 V CA 2.403 64.680 62.300 -0.040 0.000 1.035 135 V CB -1.024 30.771 31.823 -0.047 0.000 0.658 135 V HN 0.878 nan 8.190 nan 0.000 0.452 136 G N 0.613 109.497 108.800 0.140 0.000 2.672 136 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 136 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 136 G C 1.351 176.385 174.900 0.224 0.000 1.238 136 G CA 1.078 46.328 45.100 0.251 0.000 0.791 136 G HN 0.654 nan 8.290 nan 0.000 0.606 137 G N -1.359 107.513 108.800 0.121 0.000 3.448 137 G HA2 0.336 4.297 3.960 0.000 0.000 0.261 137 G HA3 0.336 4.297 3.960 0.000 0.000 0.261 137 G C 0.942 175.876 174.900 0.056 0.000 1.173 137 G CA 0.820 45.972 45.100 0.086 0.000 0.835 137 G HN 0.608 nan 8.290 nan 0.000 0.534 138 H N -0.749 118.290 119.070 -0.053 0.000 2.430 138 H HA 0.180 4.736 4.556 0.000 0.000 0.297 138 H C 2.174 177.457 175.328 -0.074 0.000 1.016 138 H CA 0.762 56.746 56.048 -0.107 0.000 1.294 138 H CB 0.369 30.031 29.762 -0.168 0.000 1.465 138 H HN -0.013 nan 8.280 nan 0.000 0.547 139 V N 1.580 121.378 119.914 -0.193 0.000 2.453 139 V HA -0.141 3.979 4.120 0.000 0.000 0.247 139 V C 1.794 177.857 176.094 -0.050 0.000 1.048 139 V CA 1.471 63.622 62.300 -0.249 0.000 1.049 139 V CB -0.544 30.989 31.823 -0.483 0.000 0.672 139 V HN 0.491 nan 8.190 nan 0.000 0.457 140 L N 0.439 121.730 121.223 0.114 0.000 2.610 140 L HA 0.307 4.647 4.340 0.000 0.000 0.232 140 L C 1.909 178.805 176.870 0.043 0.000 1.149 140 L CA 1.401 56.333 54.840 0.154 0.000 0.872 140 L CB -2.007 40.202 42.059 0.249 0.000 0.992 140 L HN 0.114 nan 8.230 nan 0.000 0.447 141 G N -0.617 108.164 108.800 -0.032 0.000 2.986 141 G HA2 0.375 4.335 3.960 0.000 0.000 0.213 141 G HA3 0.375 4.335 3.960 0.000 0.000 0.213 141 G C 1.031 175.932 174.900 0.003 0.000 1.156 141 G CA 0.249 45.300 45.100 -0.081 0.000 0.763 141 G HN 0.818 nan 8.290 nan 0.000 0.547 142 G N -0.316 108.499 108.800 0.025 0.000 2.356 142 G HA2 0.196 4.157 3.960 0.000 0.000 0.233 142 G HA3 0.196 4.157 3.960 0.000 0.000 0.233 142 G C 0.602 175.628 174.900 0.209 0.000 1.105 142 G CA -0.080 45.106 45.100 0.144 0.000 0.861 142 G HN 1.049 nan 8.290 nan 0.000 0.493 143 G N -0.114 108.619 108.800 -0.111 0.000 2.224 143 G HA2 0.527 4.488 3.960 0.000 0.000 0.239 143 G HA3 0.527 4.488 3.960 0.000 0.000 0.239 143 G C 0.084 175.065 174.900 0.136 0.000 1.240 143 G CA 0.795 45.730 45.100 -0.276 0.000 0.896 143 G HN 1.894 nan 8.290 nan 0.000 0.496 144 Y N 0.783 121.119 120.300 0.059 0.000 2.576 144 Y HA 0.837 5.387 4.550 0.000 0.000 0.346 144 Y C 0.265 176.199 175.900 0.058 0.000 1.018 144 Y CA -0.730 57.412 58.100 0.069 0.000 1.050 144 Y CB 1.770 40.299 38.460 0.114 0.000 1.280 144 Y HN 0.837 nan 8.280 nan 0.000 0.474 145 G N 0.695 109.410 108.800 -0.142 0.000 2.706 145 G HA2 0.432 4.392 3.960 0.000 0.000 0.307 145 G HA3 0.432 4.392 3.960 0.000 0.000 0.307 145 G C -2.700 172.036 174.900 -0.272 0.000 1.307 145 G CA -1.524 43.388 45.100 -0.314 0.000 0.790 145 G HN 0.319 nan 8.290 nan 0.000 0.503 146 P HA -0.029 nan 4.420 nan 0.000 0.218 146 P C 1.368 178.588 177.300 -0.134 0.000 1.146 146 P CA 1.034 63.730 63.100 -0.674 0.000 0.813 146 P CB 0.165 31.601 31.700 -0.440 0.000 0.778 147 L N -2.010 119.176 121.223 -0.061 0.000 2.667 147 L HA 0.172 4.512 4.340 0.000 0.000 0.232 147 L C 1.837 178.724 176.870 0.029 0.000 1.138 147 L CA 0.168 55.014 54.840 0.010 0.000 0.921 147 L CB -0.324 41.739 42.059 0.006 0.000 1.180 147 L HN -0.137 nan 8.230 nan 0.000 0.487 148 S N 0.131 115.865 115.700 0.055 0.000 2.423 148 S HA -0.086 4.384 4.470 0.000 0.000 0.231 148 S C 1.991 176.599 174.600 0.013 0.000 1.014 148 S CA 0.998 59.235 58.200 0.061 0.000 0.965 148 S CB -0.087 63.192 63.200 0.131 0.000 0.785 148 S HN 0.424 nan 8.310 nan 0.000 0.495 149 R N 0.754 121.283 120.500 0.048 0.000 2.189 149 R HA 0.112 4.452 4.340 0.000 0.000 0.218 149 R C 2.456 178.767 176.300 0.018 0.000 1.074 149 R CA 0.726 56.836 56.100 0.017 0.000 0.991 149 R CB -0.075 30.271 30.300 0.076 0.000 0.883 149 R HN 0.250 nan 8.270 nan 0.000 0.457 150 R N 0.279 120.798 120.500 0.032 0.000 2.075 150 R HA -0.039 4.301 4.340 0.000 0.000 0.220 150 R C 0.342 176.658 176.300 0.027 0.000 1.118 150 R CA 1.305 57.419 56.100 0.024 0.000 0.986 150 R CB 0.453 30.765 30.300 0.020 0.000 0.884 150 R HN 0.099 nan 8.270 nan 0.000 0.439 151 D N -0.925 119.498 120.400 0.039 0.000 2.469 151 D HA 0.232 4.872 4.640 0.000 0.000 0.213 151 D C 0.446 176.868 176.300 0.204 0.000 1.135 151 D CA 0.791 54.846 54.000 0.093 0.000 0.834 151 D CB 1.350 42.147 40.800 -0.006 0.000 1.009 151 D HN 0.442 nan 8.370 nan 0.000 0.507 152 G N 0.351 109.214 108.800 0.104 0.000 2.660 152 G HA2 -0.202 3.758 3.960 0.000 0.000 0.247 152 G HA3 -0.202 3.758 3.960 0.000 0.000 0.247 152 G C -0.337 174.635 174.900 0.120 0.000 1.328 152 G CA -0.559 44.595 45.100 0.090 0.000 0.884 152 G HN 0.086 nan 8.290 nan 0.000 0.531 153 V N -0.021 119.957 119.914 0.106 0.000 3.003 153 V HA 0.290 4.410 4.120 0.000 0.000 0.305 153 V C 2.083 178.282 176.094 0.175 0.000 1.078 153 V CA 0.617 63.001 62.300 0.141 0.000 1.083 153 V CB 1.435 33.332 31.823 0.124 0.000 1.039 153 V HN 1.472 nan 8.190 nan 0.000 0.481 154 V N 3.484 123.473 119.914 0.124 0.000 2.594 154 V HA -0.166 3.954 4.120 0.000 0.000 0.253 154 V C 2.256 178.456 176.094 0.176 0.000 1.069 154 V CA 2.350 64.701 62.300 0.085 0.000 1.082 154 V CB -0.327 31.468 31.823 -0.048 0.000 0.680 154 V HN 1.048 nan 8.190 nan 0.000 0.469 155 A N -0.973 121.930 122.820 0.139 0.000 2.168 155 A HA -0.109 4.211 4.320 0.000 0.000 0.215 155 A C 1.690 179.341 177.584 0.112 0.000 1.152 155 A CA 1.328 53.444 52.037 0.132 0.000 0.716 155 A CB -0.413 18.603 19.000 0.026 0.000 0.794 155 A HN 0.618 nan 8.150 nan 0.000 0.465 156 D N -0.821 119.632 120.400 0.087 0.000 2.349 156 D HA -0.000 4.640 4.640 0.000 0.000 0.224 156 D C 0.436 176.604 176.300 -0.220 0.000 1.029 156 D CA 0.618 54.573 54.000 -0.075 0.000 0.879 156 D CB -0.098 40.597 40.800 -0.175 0.000 0.906 156 D HN 0.628 nan 8.370 nan 0.000 0.528 157 H N -0.341 118.856 119.070 0.211 0.000 2.662 157 H HA 0.143 4.699 4.556 0.000 0.000 0.268 157 H C -0.112 175.505 175.328 0.482 0.000 1.152 157 H CA -0.490 55.721 56.048 0.271 0.000 1.072 157 H CB 1.106 30.971 29.762 0.172 0.000 1.660 157 H HN -0.016 nan 8.280 nan 0.000 0.584 158 L N 1.462 123.010 121.223 0.540 0.000 2.261 158 L HA 0.087 4.427 4.340 0.000 0.000 0.289 158 L C 0.764 177.940 176.870 0.511 0.000 1.059 158 L CA -0.175 54.976 54.840 0.519 0.000 0.816 158 L CB 0.327 42.651 42.059 0.441 0.000 1.191 158 L HN 0.160 nan 8.230 nan 0.000 0.431 159 Y N 5.275 125.704 120.300 0.215 0.000 2.301 159 Y HA 0.577 5.127 4.550 0.000 0.000 0.295 159 Y C 0.582 176.443 175.900 -0.065 0.000 1.126 159 Y CA 0.641 58.767 58.100 0.042 0.000 1.154 159 Y CB 0.511 38.984 38.460 0.022 0.000 1.075 159 Y HN 0.613 nan 8.280 nan 0.000 0.534 160 A N 0.142 122.872 122.820 -0.151 0.000 2.594 160 A HA 0.642 4.963 4.320 0.000 0.000 0.291 160 A C -2.085 175.503 177.584 0.006 0.000 1.105 160 A CA -0.422 51.456 52.037 -0.264 0.000 0.694 160 A CB 1.510 20.160 19.000 -0.584 0.000 1.291 160 A HN 0.128 nan 8.150 nan 0.000 0.410 161 V N 0.226 120.078 119.914 -0.103 0.000 2.789 161 V HA 0.582 4.703 4.120 0.000 0.000 0.311 161 V C -0.951 175.006 176.094 -0.228 0.000 1.073 161 V CA -0.454 61.706 62.300 -0.233 0.000 0.921 161 V CB 1.913 33.428 31.823 -0.514 0.000 1.009 161 V HN 0.961 nan 8.190 nan 0.000 0.426 162 E N 4.127 124.221 120.200 -0.176 0.000 2.109 162 E HA 0.617 4.967 4.350 0.000 0.000 0.278 162 E C -1.270 175.192 176.600 -0.230 0.000 0.954 162 E CA -0.309 56.008 56.400 -0.139 0.000 0.779 162 E CB 1.957 31.660 29.700 0.004 0.000 1.093 162 E HN 0.538 nan 8.360 nan 0.000 0.401 163 V N 3.312 123.093 119.914 -0.221 0.000 2.735 163 V HA 0.320 4.440 4.120 0.000 0.000 0.310 163 V C -0.317 175.715 176.094 -0.102 0.000 1.061 163 V CA -1.002 61.177 62.300 -0.202 0.000 0.913 163 V CB 2.113 33.779 31.823 -0.262 0.000 1.005 163 V HN 0.371 nan 8.190 nan 0.000 0.428 164 V N 4.770 124.640 119.914 -0.074 0.000 2.407 164 V HA 0.615 4.735 4.120 0.000 0.000 0.278 164 V C 0.004 176.133 176.094 0.058 0.000 1.037 164 V CA -0.292 62.007 62.300 -0.001 0.000 0.900 164 V CB 1.477 33.306 31.823 0.010 0.000 0.983 164 V HN 0.775 nan 8.190 nan 0.000 0.459 165 V N 3.431 123.427 119.914 0.137 0.000 3.074 165 V HA 0.820 4.940 4.120 0.000 0.000 0.314 165 V C -0.616 175.625 176.094 0.245 0.000 1.117 165 V CA -0.839 61.616 62.300 0.259 0.000 1.014 165 V CB 2.257 34.246 31.823 0.275 0.000 1.057 165 V HN 0.417 nan 8.190 nan 0.000 0.438 166 V N 1.672 121.744 119.914 0.264 0.000 2.417 166 V HA 0.407 4.527 4.120 0.000 0.000 0.291 166 V C 0.012 176.175 176.094 0.115 0.000 1.024 166 V CA -0.388 61.998 62.300 0.143 0.000 0.861 166 V CB 1.144 33.001 31.823 0.057 0.000 0.985 166 V HN 1.024 nan 8.190 nan 0.000 0.436 167 D N 2.732 123.181 120.400 0.081 0.000 2.474 167 D HA 0.026 4.666 4.640 0.000 0.000 0.232 167 D C 1.146 177.460 176.300 0.023 0.000 1.177 167 D CA 0.816 54.846 54.000 0.049 0.000 0.876 167 D CB 1.502 42.322 40.800 0.034 0.000 1.208 167 D HN 0.692 nan 8.370 nan 0.000 0.464 168 A N 1.972 124.796 122.820 0.006 0.000 2.015 168 A HA -0.157 4.163 4.320 0.000 0.000 0.219 168 A C 2.067 179.645 177.584 -0.009 0.000 1.163 168 A CA 1.805 53.837 52.037 -0.008 0.000 0.646 168 A CB -0.337 18.650 19.000 -0.023 0.000 0.806 168 A HN 0.547 nan 8.150 nan 0.000 0.448 169 S N -1.456 114.241 115.700 -0.004 0.000 2.489 169 S HA 0.319 4.789 4.470 0.000 0.000 0.228 169 S C 1.385 175.984 174.600 -0.002 0.000 0.995 169 S CA 1.235 59.433 58.200 -0.004 0.000 0.934 169 S CB -0.417 62.783 63.200 -0.000 0.000 0.771 169 S HN 1.967 nan 8.310 nan 0.000 0.522 170 G N 0.833 109.633 108.800 0.000 0.000 2.140 170 G HA2 -0.211 3.749 3.960 0.000 0.000 0.211 170 G HA3 -0.211 3.749 3.960 0.000 0.000 0.211 170 G C -0.104 174.797 174.900 0.003 0.000 1.013 170 G CA -0.069 45.028 45.100 -0.005 0.000 0.705 170 G HN 0.619 nan 8.290 nan 0.000 0.508 171 R N 0.249 120.758 120.500 0.016 0.000 2.407 171 R HA 0.690 5.030 4.340 0.000 0.000 0.303 171 R C 0.576 176.901 176.300 0.042 0.000 0.981 171 R CA 0.132 56.245 56.100 0.022 0.000 0.905 171 R CB 1.106 31.419 30.300 0.023 0.000 1.099 171 R HN 0.531 nan 8.270 nan 0.000 0.459 172 A N 4.176 127.022 122.820 0.043 0.000 2.401 172 A HA 0.418 4.738 4.320 0.000 0.000 0.259 172 A C -0.426 177.195 177.584 0.061 0.000 1.103 172 A CA -0.383 51.696 52.037 0.070 0.000 0.789 172 A CB 0.400 19.441 19.000 0.069 0.000 1.035 172 A HN 0.883 nan 8.150 nan 0.000 0.491 173 R N 1.319 121.865 120.500 0.076 0.000 2.739 173 R HA 0.589 4.930 4.340 0.000 0.000 0.271 173 R C -0.835 175.498 176.300 0.055 0.000 1.010 173 R CA -1.070 55.066 56.100 0.061 0.000 0.897 173 R CB 1.386 31.726 30.300 0.066 0.000 1.236 173 R HN 0.625 nan 8.270 nan 0.000 0.466 174 K N 1.912 122.334 120.400 0.037 0.000 2.227 174 K HA 0.399 4.719 4.320 0.000 0.000 0.280 174 K C -0.508 176.101 176.600 0.014 0.000 1.041 174 K CA -0.611 55.687 56.287 0.019 0.000 0.905 174 K CB 1.534 34.042 32.500 0.014 0.000 1.068 174 K HN 0.564 nan 8.250 nan 0.000 0.470 175 V N 0.994 120.901 119.914 -0.012 0.000 2.769 175 V HA 0.639 4.759 4.120 0.000 0.000 0.312 175 V C -0.974 175.060 176.094 -0.099 0.000 1.061 175 V CA -0.847 61.434 62.300 -0.033 0.000 0.931 175 V CB 1.874 33.678 31.823 -0.031 0.000 1.010 175 V HN 0.526 nan 8.190 nan 0.000 0.433 176 V N 3.422 123.272 119.914 -0.106 0.000 2.495 176 V HA 0.940 5.060 4.120 0.000 0.000 0.298 176 V C 0.313 176.294 176.094 -0.187 0.000 1.031 176 V CA 0.267 62.477 62.300 -0.150 0.000 0.871 176 V CB 1.476 33.217 31.823 -0.136 0.000 0.988 176 V HN 1.519 nan 8.190 nan 0.000 0.432 177 A N 3.217 125.894 122.820 -0.238 0.000 2.437 177 A HA 0.801 5.121 4.320 0.000 0.000 0.293 177 A C -0.576 176.845 177.584 -0.271 0.000 1.038 177 A CA -0.400 51.501 52.037 -0.227 0.000 0.708 177 A CB 2.162 21.011 19.000 -0.251 0.000 1.251 177 A HN 0.666 nan 8.150 nan 0.000 0.409 178 T N -0.152 114.176 114.554 -0.378 0.000 2.910 178 T HA 0.537 4.887 4.350 0.000 0.000 0.287 178 T C 1.261 175.435 174.700 -0.876 0.000 1.050 178 T CA 0.391 62.051 62.100 -0.733 0.000 1.011 178 T CB 1.352 69.710 68.868 -0.850 0.000 1.195 178 T HN 1.376 nan 8.240 nan 0.000 0.540 179 S N 0.569 115.443 115.700 -1.376 0.000 2.631 179 S HA 0.393 4.863 4.470 0.000 0.000 0.217 179 S C 0.833 175.020 174.600 -0.688 0.000 0.958 179 S CA -0.170 57.032 58.200 -1.664 0.000 0.920 179 S CB -0.430 61.664 63.200 -1.843 0.000 0.776 179 S HN 0.866 nan 8.310 nan 0.000 0.517 180 A N 1.205 123.771 122.820 -0.423 0.000 2.520 180 A HA 0.686 5.007 4.320 0.000 0.000 0.245 180 A C 1.616 179.118 177.584 -0.136 0.000 1.072 180 A CA 0.159 52.075 52.037 -0.201 0.000 0.761 180 A CB -0.254 18.665 19.000 -0.135 0.000 1.004 180 A HN 0.785 nan 8.150 nan 0.000 0.499 181 A N 2.353 125.128 122.820 -0.076 0.000 1.997 181 A HA -0.207 4.113 4.320 0.000 0.000 0.221 181 A C 1.334 178.910 177.584 -0.013 0.000 1.172 181 A CA 2.246 54.271 52.037 -0.019 0.000 0.645 181 A CB -0.606 18.393 19.000 -0.002 0.000 0.813 181 A HN 0.952 nan 8.150 nan 0.000 0.454 182 D N -1.275 119.107 120.400 -0.029 0.000 2.349 182 D HA 0.100 4.740 4.640 0.000 0.000 0.214 182 D C 0.128 176.412 176.300 -0.028 0.000 1.063 182 D CA -0.066 53.919 54.000 -0.024 0.000 0.847 182 D CB -0.089 40.695 40.800 -0.027 0.000 0.933 182 D HN 0.233 nan 8.370 nan 0.000 0.513 183 D N 0.971 121.346 120.400 -0.043 0.000 2.348 183 D HA 0.090 4.730 4.640 0.000 0.000 0.253 183 D C -1.552 174.754 176.300 0.011 0.000 1.161 183 D CA -2.123 51.851 54.000 -0.043 0.000 0.876 183 D CB 1.765 42.504 40.800 -0.103 0.000 1.160 183 D HN -0.099 nan 8.370 nan 0.000 0.459 184 P HA 0.026 nan 4.420 nan 0.000 0.234 184 P C -0.283 177.117 177.300 0.167 0.000 1.167 184 P CA 0.534 63.675 63.100 0.069 0.000 0.763 184 P CB 0.260 31.990 31.700 0.050 0.000 0.835 185 N N -1.168 117.634 118.700 0.169 0.000 2.234 185 N HA 0.096 4.837 4.740 0.000 0.000 0.227 185 N C 1.373 176.977 175.510 0.156 0.000 1.151 185 N CA -0.241 52.972 53.050 0.271 0.000 0.865 185 N CB -0.359 38.180 38.487 0.085 0.000 1.066 185 N HN 0.041 nan 8.380 nan 0.000 0.515 186 R N 1.261 121.866 120.500 0.176 0.000 2.081 186 R HA -0.076 4.264 4.340 0.000 0.000 0.235 186 R C 0.776 177.278 176.300 0.338 0.000 1.131 186 R CA 1.284 57.516 56.100 0.219 0.000 0.960 186 R CB 0.138 30.548 30.300 0.184 0.000 0.856 186 R HN 0.087 nan 8.270 nan 0.000 0.436 187 E N 1.048 121.415 120.200 0.278 0.000 2.204 187 E HA -0.197 4.153 4.350 0.000 0.000 0.195 187 E C 1.973 178.648 176.600 0.126 0.000 0.990 187 E CA 0.615 57.149 56.400 0.223 0.000 0.821 187 E CB -0.235 29.569 29.700 0.174 0.000 0.750 187 E HN 0.434 nan 8.360 nan 0.000 0.477 188 L N -0.476 120.640 121.223 -0.179 0.000 2.046 188 L HA -0.163 4.177 4.340 0.000 0.000 0.208 188 L C 2.325 179.099 176.870 -0.160 0.000 1.077 188 L CA 1.484 55.943 54.840 -0.634 0.000 0.747 188 L CB -0.335 40.810 42.059 -1.525 0.000 0.896 188 L HN 0.285 nan 8.230 nan 0.000 0.432 189 W N 0.074 121.261 121.300 -0.187 0.000 2.358 189 W HA -0.253 4.407 4.660 0.000 0.000 0.303 189 W C 2.406 178.949 176.519 0.039 0.000 1.208 189 W CA 1.275 58.564 57.345 -0.093 0.000 1.274 189 W CB -0.814 28.572 29.460 -0.123 0.000 1.138 189 W HN 0.264 nan 8.180 nan 0.000 0.515 190 W N 1.562 122.639 121.300 -0.372 0.000 2.304 190 W HA -0.367 4.294 4.660 0.000 0.000 0.315 190 W C 2.138 178.326 176.519 -0.551 0.000 1.233 190 W CA 3.433 60.389 57.345 -0.648 0.000 1.261 190 W CB -1.162 28.160 29.460 -0.229 0.000 1.150 190 W HN 0.102 nan 8.180 nan 0.000 0.494 191 A N -0.659 122.062 122.820 -0.165 0.000 2.019 191 A HA -0.218 4.102 4.320 0.000 0.000 0.219 191 A C 1.369 178.702 177.584 -0.419 0.000 1.164 191 A CA 1.855 53.653 52.037 -0.398 0.000 0.644 191 A CB -1.203 17.220 19.000 -0.961 0.000 0.805 191 A HN 0.505 nan 8.150 nan 0.000 0.449 192 H N -1.820 117.046 119.070 -0.340 0.000 2.539 192 H HA 0.138 4.694 4.556 0.000 0.000 0.267 192 H C 1.009 176.220 175.328 -0.194 0.000 0.982 192 H CA 1.094 57.034 56.048 -0.180 0.000 1.146 192 H CB 0.251 29.930 29.762 -0.138 0.000 1.382 192 H HN 0.312 nan 8.280 nan 0.000 0.577 193 T N 0.456 114.813 114.554 -0.328 0.000 3.240 193 T HA 0.487 4.837 4.350 0.000 0.000 0.248 193 T C 0.089 174.668 174.700 -0.202 0.000 0.929 193 T CA 0.397 62.304 62.100 -0.321 0.000 0.939 193 T CB -0.950 67.539 68.868 -0.632 0.000 1.114 193 T HN 0.624 nan 8.240 nan 0.000 0.558 194 G N -0.885 107.871 108.800 -0.074 0.000 2.321 194 G HA2 0.356 4.316 3.960 0.000 0.000 0.339 194 G HA3 0.356 4.316 3.960 0.000 0.000 0.339 194 G C 0.393 175.377 174.900 0.141 0.000 1.518 194 G CA -0.189 44.940 45.100 0.048 0.000 0.994 194 G HN 0.590 nan 8.290 nan 0.000 0.668 195 G N -0.476 108.499 108.800 0.292 0.000 2.374 195 G HA2 0.096 4.056 3.960 0.000 0.000 0.296 195 G HA3 0.096 4.056 3.960 0.000 0.000 0.296 195 G C 1.563 176.663 174.900 0.334 0.000 0.801 195 G CA 1.842 47.215 45.100 0.455 0.000 0.926 195 G HN 1.971 nan 8.290 nan 0.000 0.488 196 G N -0.096 108.818 108.800 0.190 0.000 2.424 196 G HA2 0.322 4.282 3.960 0.000 0.000 0.214 196 G HA3 0.322 4.282 3.960 0.000 0.000 0.214 196 G C 1.906 176.868 174.900 0.104 0.000 1.202 196 G CA 1.569 46.773 45.100 0.173 0.000 0.793 196 G HN 1.721 nan 8.290 nan 0.000 0.534 197 G N 0.067 108.916 108.800 0.081 0.000 2.879 197 G HA2 -0.029 3.931 3.960 0.000 0.000 0.353 197 G HA3 -0.029 3.931 3.960 0.000 0.000 0.353 197 G C 1.046 175.997 174.900 0.086 0.000 1.182 197 G CA 1.347 46.490 45.100 0.072 0.000 0.957 197 G HN 1.755 nan 8.290 nan 0.000 0.587 198 G N -0.258 108.643 108.800 0.168 0.000 5.102 198 G HA2 0.538 4.498 3.960 0.000 0.000 0.212 198 G HA3 0.538 4.498 3.960 0.000 0.000 0.212 198 G C 0.164 175.065 174.900 0.002 0.000 0.832 198 G CA 0.992 46.158 45.100 0.111 0.000 0.718 198 G HN 1.036 nan 8.290 nan 0.000 0.506 199 N N -1.047 117.503 118.700 -0.250 0.000 2.239 199 N HA 0.180 4.920 4.740 0.000 0.000 0.208 199 N C 0.825 176.010 175.510 -0.541 0.000 1.200 199 N CA -0.157 52.606 53.050 -0.478 0.000 0.895 199 N CB 0.135 38.154 38.487 -0.780 0.000 1.085 199 N HN 0.215 nan 8.380 nan 0.000 0.500 200 F N 0.124 120.068 119.950 -0.010 0.000 2.678 200 F HA 0.625 5.152 4.527 0.000 0.000 0.291 200 F C 1.447 177.267 175.800 0.033 0.000 1.123 200 F CA 0.334 58.362 58.000 0.047 0.000 1.395 200 F CB 0.497 39.474 39.000 -0.038 0.000 1.121 200 F HN 0.265 nan 8.300 nan 0.000 0.592 201 G N 0.133 108.817 108.800 -0.194 0.000 2.398 201 G HA2 0.277 4.238 3.960 0.000 0.000 0.251 201 G HA3 0.277 4.238 3.960 0.000 0.000 0.251 201 G C -1.779 172.715 174.900 -0.677 0.000 1.277 201 G CA -1.008 43.619 45.100 -0.790 0.000 0.927 201 G HN -0.100 nan 8.290 nan 0.000 0.477 202 I N 1.176 121.460 120.570 -0.477 0.000 2.382 202 I HA 0.412 4.582 4.170 0.000 0.000 0.286 202 I C 0.180 176.193 176.117 -0.172 0.000 1.002 202 I CA -0.957 60.175 61.300 -0.279 0.000 1.135 202 I CB 1.889 39.755 38.000 -0.224 0.000 1.288 202 I HN 0.260 nan 8.210 nan 0.000 0.448 203 V N 5.183 125.002 119.914 -0.158 0.000 2.521 203 V HA 0.002 4.122 4.120 0.000 0.000 0.286 203 V C 1.195 177.168 176.094 -0.202 0.000 1.034 203 V CA 0.356 62.495 62.300 -0.268 0.000 1.045 203 V CB 1.070 32.613 31.823 -0.466 0.000 0.974 203 V HN 0.909 nan 8.190 nan 0.000 0.480 204 T N 4.972 119.418 114.554 -0.180 0.000 3.014 204 T HA 0.249 4.599 4.350 0.000 0.000 0.250 204 T C 0.576 175.219 174.700 -0.094 0.000 1.060 204 T CA 0.061 62.105 62.100 -0.093 0.000 1.040 204 T CB -0.047 68.794 68.868 -0.046 0.000 0.971 204 T HN 0.654 nan 8.240 nan 0.000 0.497 205 R N -0.326 120.063 120.500 -0.185 0.000 2.634 205 R HA 0.466 4.806 4.340 0.000 0.000 0.263 205 R C -2.243 173.859 176.300 -0.331 0.000 1.060 205 R CA -0.692 55.288 56.100 -0.199 0.000 0.898 205 R CB 1.092 31.315 30.300 -0.129 0.000 1.253 205 R HN 0.193 nan 8.270 nan 0.000 0.461 206 Y N 1.392 121.486 120.300 -0.344 0.000 2.468 206 Y HA 0.561 5.111 4.550 0.000 0.000 0.342 206 Y C -0.838 174.628 175.900 -0.723 0.000 1.021 206 Y CA -0.274 57.569 58.100 -0.428 0.000 1.079 206 Y CB 1.694 39.866 38.460 -0.479 0.000 1.226 206 Y HN 0.438 nan 8.280 nan 0.000 0.460 207 W N 2.956 124.012 121.300 -0.406 0.000 2.683 207 W HA 0.603 5.263 4.660 0.000 0.000 0.329 207 W C -1.723 174.590 176.519 -0.343 0.000 1.037 207 W CA -0.935 56.240 57.345 -0.283 0.000 1.232 207 W CB 0.994 30.430 29.460 -0.041 0.000 1.390 207 W HN 0.241 nan 8.180 nan 0.000 0.465 208 F N 3.473 123.660 119.950 0.395 0.000 2.458 208 F HA 0.677 5.204 4.527 0.000 0.000 0.336 208 F C 0.555 176.566 175.800 0.352 0.000 1.114 208 F CA -1.079 57.121 58.000 0.332 0.000 0.987 208 F CB 1.642 40.755 39.000 0.189 0.000 1.130 208 F HN 0.058 nan 8.300 nan 0.000 0.458 209 R N 1.568 122.363 120.500 0.492 0.000 2.572 209 R HA 0.179 4.519 4.340 0.000 0.000 0.273 209 R C -1.415 175.066 176.300 0.302 0.000 1.168 209 R CA -0.510 55.780 56.100 0.315 0.000 1.021 209 R CB 2.153 32.501 30.300 0.079 0.000 1.249 209 R HN 0.664 nan 8.270 nan 0.000 0.423 210 T N 5.924 120.662 114.554 0.307 0.000 2.831 210 T HA 0.035 4.385 4.350 0.000 0.000 0.291 210 T C -1.660 173.113 174.700 0.121 0.000 0.981 210 T CA -0.658 61.613 62.100 0.286 0.000 1.174 210 T CB 0.787 69.829 68.868 0.290 0.000 0.929 210 T HN 0.292 nan 8.240 nan 0.000 0.532 211 P HA -0.052 nan 4.420 nan 0.000 0.216 211 P C 1.113 178.425 177.300 0.020 0.000 1.153 211 P CA 0.679 63.798 63.100 0.032 0.000 0.858 211 P CB 0.011 31.721 31.700 0.016 0.000 0.789 212 G N -0.597 108.217 108.800 0.024 0.000 3.102 212 G HA2 0.367 4.327 3.960 0.000 0.000 0.264 212 G HA3 0.367 4.327 3.960 0.000 0.000 0.264 212 G C 0.257 175.174 174.900 0.028 0.000 0.788 212 G CA 0.132 45.245 45.100 0.022 0.000 2.029 212 G HN 0.335 nan 8.290 nan 0.000 0.608 213 A N 1.157 123.985 122.820 0.014 0.000 2.378 213 A HA 0.999 5.319 4.320 0.000 0.000 0.293 213 A C 0.338 177.917 177.584 -0.008 0.000 1.250 213 A CA -0.470 51.571 52.037 0.007 0.000 0.915 213 A CB 1.266 20.257 19.000 -0.016 0.000 1.402 213 A HN 0.767 nan 8.150 nan 0.000 0.502 214 T N -1.612 112.932 114.554 -0.016 0.000 3.310 214 T HA 0.574 4.924 4.350 0.000 0.000 0.420 214 T C -0.169 174.518 174.700 -0.021 0.000 1.653 214 T CA 0.353 62.440 62.100 -0.022 0.000 1.062 214 T CB -0.273 68.587 68.868 -0.014 0.000 1.637 214 T HN 2.774 nan 8.240 nan 0.000 0.466 215 G N 1.483 110.268 108.800 -0.026 0.000 2.728 215 G HA2 0.092 4.052 3.960 0.000 0.000 0.294 215 G HA3 0.092 4.052 3.960 0.000 0.000 0.294 215 G C 0.457 175.344 174.900 -0.021 0.000 1.342 215 G CA 0.688 45.775 45.100 -0.022 0.000 0.866 215 G HN 1.914 nan 8.290 nan 0.000 0.534 216 T N -3.030 111.515 114.554 -0.015 0.000 3.044 216 T HA 0.388 4.738 4.350 0.000 0.000 0.260 216 T C 0.343 175.023 174.700 -0.034 0.000 1.019 216 T CA 1.028 63.128 62.100 -0.000 0.000 0.921 216 T CB 0.591 69.467 68.868 0.012 0.000 1.053 216 T HN 0.716 nan 8.240 nan 0.000 0.533 217 D N 3.059 123.425 120.400 -0.056 0.000 2.393 217 D HA 0.300 4.940 4.640 0.000 0.000 0.232 217 D C -1.664 174.539 176.300 -0.163 0.000 1.192 217 D CA -2.600 51.347 54.000 -0.087 0.000 0.882 217 D CB 1.643 42.421 40.800 -0.037 0.000 1.038 217 D HN 0.009 nan 8.370 nan 0.000 0.499 218 P HA -0.070 nan 4.420 nan 0.000 0.225 218 P C 1.129 178.367 177.300 -0.103 0.000 1.148 218 P CA 0.537 63.288 63.100 -0.582 0.000 0.779 218 P CB 0.276 31.022 31.700 -1.590 0.000 0.780 219 S N -0.738 114.960 115.700 -0.003 0.000 2.465 219 S HA -0.146 4.324 4.470 0.000 0.000 0.241 219 S C 1.309 175.936 174.600 0.044 0.000 1.000 219 S CA 1.213 59.463 58.200 0.083 0.000 0.964 219 S CB -0.500 62.740 63.200 0.067 0.000 0.763 219 S HN 0.339 nan 8.310 nan 0.000 0.512 220 Q N -0.644 119.170 119.800 0.023 0.000 2.110 220 Q HA 0.404 4.744 4.340 0.000 0.000 0.232 220 Q C 0.681 176.705 176.000 0.040 0.000 0.810 220 Q CA -0.054 55.762 55.803 0.022 0.000 1.083 220 Q CB 0.623 29.365 28.738 0.006 0.000 1.193 220 Q HN 0.344 nan 8.270 nan 0.000 0.471 221 L N -0.197 121.075 121.223 0.082 0.000 2.640 221 L HA 0.359 4.699 4.340 0.000 0.000 0.230 221 L C -0.088 176.905 176.870 0.205 0.000 1.123 221 L CA 0.502 55.425 54.840 0.138 0.000 0.900 221 L CB 0.560 42.706 42.059 0.145 0.000 1.146 221 L HN 0.161 nan 8.230 nan 0.000 0.484 222 L N -1.573 119.728 121.223 0.129 0.000 2.491 222 L HA 0.477 4.817 4.340 0.000 0.000 0.254 222 L C -2.526 174.315 176.870 -0.047 0.000 1.048 222 L CA -1.945 52.912 54.840 0.028 0.000 0.855 222 L CB 2.098 44.100 42.059 -0.095 0.000 1.466 222 L HN -0.304 nan 8.230 nan 0.000 0.409 223 P HA 0.076 nan 4.420 nan 0.000 0.266 223 P C -1.288 175.928 177.300 -0.140 0.000 1.195 223 P CA -0.038 62.987 63.100 -0.125 0.000 0.768 223 P CB 0.323 31.907 31.700 -0.192 0.000 0.838 224 K N 2.045 122.374 120.400 -0.117 0.000 2.249 224 K HA 0.493 4.813 4.320 0.000 0.000 0.280 224 K C 0.373 176.831 176.600 -0.236 0.000 1.033 224 K CA -0.597 55.608 56.287 -0.137 0.000 0.946 224 K CB 0.810 33.255 32.500 -0.090 0.000 1.005 224 K HN 0.478 nan 8.250 nan 0.000 0.469 225 A N 4.754 127.372 122.820 -0.337 0.000 2.507 225 A HA 0.153 4.473 4.320 0.000 0.000 0.235 225 A C -2.089 175.181 177.584 -0.524 0.000 1.070 225 A CA -0.858 50.741 52.037 -0.730 0.000 0.768 225 A CB -0.513 17.758 19.000 -1.216 0.000 1.011 225 A HN 0.448 nan 8.150 nan 0.000 0.502 226 P HA 0.146 nan 4.420 nan 0.000 0.270 226 P C 0.939 178.159 177.300 -0.134 0.000 1.223 226 P CA -0.061 62.901 63.100 -0.230 0.000 0.785 226 P CB 0.364 32.034 31.700 -0.050 0.000 0.923 227 T N -0.829 113.711 114.554 -0.022 0.000 2.777 227 T HA -0.016 4.334 4.350 0.000 0.000 0.266 227 T C 0.887 175.641 174.700 0.091 0.000 1.040 227 T CA 1.638 63.756 62.100 0.031 0.000 1.141 227 T CB -0.215 68.667 68.868 0.023 0.000 0.868 227 T HN 0.716 nan 8.240 nan 0.000 0.444 228 S N -0.843 114.920 115.700 0.106 0.000 2.688 228 S HA 0.515 4.986 4.470 0.000 0.000 0.275 228 S C -1.143 173.544 174.600 0.146 0.000 1.175 228 S CA -0.975 57.305 58.200 0.132 0.000 0.818 228 S CB 1.956 65.206 63.200 0.082 0.000 1.157 228 S HN -0.043 nan 8.310 nan 0.000 0.482 229 T N 2.024 116.637 114.554 0.098 0.000 2.821 229 T HA 0.497 4.847 4.350 0.000 0.000 0.307 229 T C -0.919 173.806 174.700 0.042 0.000 1.034 229 T CA -0.261 61.876 62.100 0.061 0.000 0.953 229 T CB 0.340 69.197 68.868 -0.019 0.000 0.968 229 T HN 0.553 nan 8.240 nan 0.000 0.462 230 L N 4.805 126.053 121.223 0.040 0.000 2.260 230 L HA 0.569 4.909 4.340 0.000 0.000 0.289 230 L C 0.112 176.996 176.870 0.025 0.000 1.057 230 L CA -0.131 54.727 54.840 0.031 0.000 0.811 230 L CB 0.360 42.423 42.059 0.007 0.000 1.184 230 L HN 0.462 nan 8.230 nan 0.000 0.429 231 R N 4.278 124.825 120.500 0.079 0.000 2.599 231 R HA 0.479 4.819 4.340 0.000 0.000 0.295 231 R C -1.382 175.076 176.300 0.264 0.000 0.963 231 R CA -0.615 55.548 56.100 0.105 0.000 0.883 231 R CB 1.030 31.375 30.300 0.075 0.000 1.171 231 R HN 0.820 nan 8.270 nan 0.000 0.450 232 H N 4.605 123.691 119.070 0.026 0.000 2.658 232 H HA 0.340 4.896 4.556 0.000 0.000 0.337 232 H C -0.789 174.531 175.328 -0.013 0.000 1.009 232 H CA -0.811 55.236 56.048 -0.001 0.000 1.231 232 H CB 2.410 32.172 29.762 0.000 0.000 1.508 232 H HN 0.429 nan 8.280 nan 0.000 0.517 233 I N 4.660 125.264 120.570 0.057 0.000 2.354 233 I HA 0.328 4.498 4.170 0.000 0.000 0.286 233 I C -1.277 174.786 176.117 -0.090 0.000 1.007 233 I CA -0.747 60.553 61.300 0.000 0.000 1.167 233 I CB 0.423 38.421 38.000 -0.003 0.000 1.320 233 I HN 0.256 nan 8.210 nan 0.000 0.458 234 V N 5.969 125.800 119.914 -0.138 0.000 2.384 234 V HA 0.495 4.615 4.120 0.000 0.000 0.287 234 V C 0.116 176.007 176.094 -0.337 0.000 1.020 234 V CA -0.366 61.737 62.300 -0.328 0.000 0.850 234 V CB 1.539 33.103 31.823 -0.433 0.000 0.987 234 V HN 0.756 nan 8.190 nan 0.000 0.436 235 T N 4.918 119.224 114.554 -0.413 0.000 2.861 235 T HA 0.549 4.899 4.350 0.000 0.000 0.287 235 T C -1.282 173.241 174.700 -0.296 0.000 1.003 235 T CA -0.325 61.667 62.100 -0.179 0.000 0.977 235 T CB 1.009 69.834 68.868 -0.071 0.000 0.996 235 T HN 0.609 nan 8.240 nan 0.000 0.448 236 W N 2.645 123.934 121.300 -0.018 0.000 2.532 236 W HA 0.343 5.003 4.660 0.000 0.000 0.321 236 W C -0.781 175.698 176.519 -0.067 0.000 1.037 236 W CA -0.860 56.459 57.345 -0.043 0.000 1.220 236 W CB 1.373 30.797 29.460 -0.060 0.000 1.361 236 W HN 0.566 nan 8.180 nan 0.000 0.468 237 D N 1.085 121.583 120.400 0.163 0.000 2.308 237 D HA 0.064 4.704 4.640 0.000 0.000 0.251 237 D C 0.768 177.163 176.300 0.158 0.000 1.127 237 D CA -0.101 53.978 54.000 0.131 0.000 0.876 237 D CB 1.038 41.902 40.800 0.106 0.000 1.176 237 D HN 0.330 nan 8.370 nan 0.000 0.446 238 W N 1.359 122.718 121.300 0.098 0.000 2.341 238 W HA -0.235 4.425 4.660 0.000 0.000 0.283 238 W C 2.418 178.972 176.519 0.059 0.000 1.215 238 W CA 1.239 58.627 57.345 0.071 0.000 1.211 238 W CB -0.079 29.378 29.460 -0.003 0.000 1.131 238 W HN 0.474 nan 8.180 nan 0.000 0.552 239 S N -0.385 115.481 115.700 0.276 0.000 2.419 239 S HA -0.181 4.289 4.470 0.000 0.000 0.235 239 S C 1.680 176.378 174.600 0.163 0.000 1.019 239 S CA 1.296 59.603 58.200 0.179 0.000 0.982 239 S CB -0.517 62.753 63.200 0.117 0.000 0.789 239 S HN 0.154 nan 8.310 nan 0.000 0.490 240 A N 0.184 123.104 122.820 0.166 0.000 2.303 240 A HA 0.538 4.858 4.320 0.000 0.000 0.217 240 A C 0.742 178.417 177.584 0.150 0.000 1.205 240 A CA -0.401 51.718 52.037 0.137 0.000 0.875 240 A CB -0.084 18.988 19.000 0.121 0.000 0.910 240 A HN 0.510 nan 8.150 nan 0.000 0.501 241 L N 2.098 123.444 121.223 0.205 0.000 2.361 241 L HA 0.251 4.591 4.340 0.000 0.000 0.278 241 L C -0.257 176.809 176.870 0.327 0.000 1.113 241 L CA -0.037 54.932 54.840 0.214 0.000 0.849 241 L CB 1.200 43.312 42.059 0.089 0.000 1.155 241 L HN 0.201 nan 8.230 nan 0.000 0.452 242 T N 1.031 115.676 114.554 0.153 0.000 2.942 242 T HA 0.157 4.507 4.350 0.000 0.000 0.289 242 T C 0.827 175.306 174.700 -0.368 0.000 1.044 242 T CA -0.709 61.403 62.100 0.020 0.000 1.023 242 T CB 2.189 71.053 68.868 -0.006 0.000 1.123 242 T HN 0.533 nan 8.240 nan 0.000 0.512 243 E N 0.772 120.559 120.200 -0.689 0.000 2.068 243 E HA -0.249 4.102 4.350 0.000 0.000 0.207 243 E C 1.966 178.311 176.600 -0.425 0.000 1.032 243 E CA 1.941 57.800 56.400 -0.902 0.000 0.839 243 E CB 0.055 29.487 29.700 -0.446 0.000 0.758 243 E HN 0.714 nan 8.360 nan 0.000 0.457 244 E N -0.849 119.212 120.200 -0.231 0.000 2.017 244 E HA -0.232 4.118 4.350 0.000 0.000 0.193 244 E C 2.037 178.567 176.600 -0.115 0.000 0.997 244 E CA 1.032 57.352 56.400 -0.134 0.000 0.804 244 E CB -0.199 29.450 29.700 -0.085 0.000 0.757 244 E HN 0.343 nan 8.360 nan 0.000 0.448 245 A N 0.523 123.283 122.820 -0.100 0.000 1.930 245 A HA -0.174 4.146 4.320 0.000 0.000 0.217 245 A C 1.959 179.460 177.584 -0.138 0.000 1.175 245 A CA 1.065 53.046 52.037 -0.094 0.000 0.627 245 A CB -0.762 18.206 19.000 -0.053 0.000 0.815 245 A HN 0.414 nan 8.150 nan 0.000 0.443 246 F N 1.053 120.833 119.950 -0.283 0.000 2.134 246 F HA -0.152 4.375 4.527 0.000 0.000 0.299 246 F C 2.404 178.031 175.800 -0.288 0.000 1.097 246 F CA 2.245 60.058 58.000 -0.312 0.000 1.264 246 F CB -0.414 38.483 39.000 -0.171 0.000 1.001 246 F HN 0.181 nan 8.300 nan 0.000 0.479 247 T N 1.492 116.024 114.554 -0.038 0.000 2.915 247 T HA -0.101 4.249 4.350 0.000 0.000 0.269 247 T C 1.942 176.561 174.700 -0.136 0.000 1.071 247 T CA 0.991 63.042 62.100 -0.083 0.000 1.132 247 T CB -0.135 68.705 68.868 -0.046 0.000 0.878 247 T HN 0.255 nan 8.240 nan 0.000 0.479 248 R N 1.078 121.492 120.500 -0.143 0.000 2.062 248 R HA 0.151 4.491 4.340 0.000 0.000 0.229 248 R C 2.346 178.546 176.300 -0.166 0.000 1.128 248 R CA 0.861 56.891 56.100 -0.117 0.000 0.960 248 R CB -1.010 29.239 30.300 -0.086 0.000 0.855 248 R HN 0.398 nan 8.270 nan 0.000 0.432 249 I N 1.374 121.764 120.570 -0.300 0.000 2.248 249 I HA -0.273 3.897 4.170 0.000 0.000 0.248 249 I C 2.311 178.239 176.117 -0.315 0.000 1.107 249 I CA 1.170 62.236 61.300 -0.391 0.000 1.373 249 I CB -0.305 37.248 38.000 -0.744 0.000 1.055 249 I HN 0.026 nan 8.210 nan 0.000 0.418 250 I N 0.534 120.851 120.570 -0.421 0.000 2.202 250 I HA -0.265 3.905 4.170 0.000 0.000 0.242 250 I C 2.175 178.267 176.117 -0.042 0.000 1.091 250 I CA 1.738 62.836 61.300 -0.336 0.000 1.368 250 I CB -1.298 36.470 38.000 -0.386 0.000 1.058 250 I HN 0.239 nan 8.210 nan 0.000 0.410 251 D N 0.892 121.279 120.400 -0.021 0.000 2.117 251 D HA -0.128 4.512 4.640 0.000 0.000 0.198 251 D C 1.893 178.265 176.300 0.119 0.000 0.982 251 D CA 0.833 54.873 54.000 0.066 0.000 0.828 251 D CB -0.333 40.489 40.800 0.037 0.000 0.967 251 D HN 0.244 nan 8.370 nan 0.000 0.464 252 N N 0.217 118.970 118.700 0.089 0.000 2.061 252 N HA -0.198 4.542 4.740 0.000 0.000 0.193 252 N C 1.694 177.363 175.510 0.265 0.000 1.030 252 N CA 1.147 54.279 53.050 0.137 0.000 0.856 252 N CB -0.746 37.784 38.487 0.072 0.000 1.023 252 N HN 0.498 nan 8.380 nan 0.000 0.424 253 H N -0.339 118.829 119.070 0.164 0.000 2.290 253 H HA -0.050 4.506 4.556 0.000 0.000 0.298 253 H C 2.096 177.699 175.328 0.458 0.000 1.087 253 H CA 2.164 58.413 56.048 0.335 0.000 1.291 253 H CB -0.589 29.337 29.762 0.273 0.000 1.369 253 H HN 0.217 nan 8.280 nan 0.000 0.492 254 G N 0.150 109.245 108.800 0.491 0.000 2.529 254 G HA2 -0.387 3.573 3.960 0.000 0.000 0.219 254 G HA3 -0.387 3.573 3.960 0.000 0.000 0.219 254 G C 1.864 176.938 174.900 0.289 0.000 1.177 254 G CA 1.266 46.567 45.100 0.335 0.000 0.773 254 G HN 0.642 nan 8.290 nan 0.000 0.573 255 A N -0.647 122.324 122.820 0.252 0.000 2.014 255 A HA 0.039 4.359 4.320 0.000 0.000 0.218 255 A C 2.106 179.813 177.584 0.204 0.000 1.163 255 A CA 1.474 53.622 52.037 0.186 0.000 0.652 255 A CB -0.591 18.498 19.000 0.148 0.000 0.808 255 A HN 0.603 nan 8.150 nan 0.000 0.449 256 W N 0.318 121.673 121.300 0.092 0.000 2.378 256 W HA -0.199 4.461 4.660 0.000 0.000 0.313 256 W C 2.055 178.518 176.519 -0.093 0.000 1.197 256 W CA 2.190 59.531 57.345 -0.008 0.000 1.304 256 W CB -0.380 29.080 29.460 0.000 0.000 1.148 256 W HN 0.540 nan 8.180 nan 0.000 0.494 257 H N -0.565 118.642 119.070 0.228 0.000 2.456 257 H HA -0.180 4.376 4.556 0.000 0.000 0.296 257 H C 2.031 177.315 175.328 -0.074 0.000 1.079 257 H CA 2.088 58.169 56.048 0.055 0.000 1.322 257 H CB -0.374 29.474 29.762 0.143 0.000 1.388 257 H HN 0.311 nan 8.280 nan 0.000 0.538 258 Q N -0.275 119.568 119.800 0.072 0.000 2.172 258 Q HA -0.080 4.260 4.340 0.000 0.000 0.200 258 Q C 1.948 177.885 176.000 -0.104 0.000 0.964 258 Q CA 1.372 57.176 55.803 0.001 0.000 0.855 258 Q CB 0.261 29.016 28.738 0.029 0.000 0.918 258 Q HN 0.320 nan 8.270 nan 0.000 0.444 259 S N 0.194 115.766 115.700 -0.214 0.000 2.414 259 S HA 0.036 4.506 4.470 0.000 0.000 0.227 259 S C 0.108 174.427 174.600 -0.468 0.000 1.022 259 S CA 0.577 58.596 58.200 -0.301 0.000 0.958 259 S CB 0.080 63.091 63.200 -0.314 0.000 0.797 259 S HN 0.379 nan 8.310 nan 0.000 0.493 260 N N 0.708 118.948 118.700 -0.766 0.000 2.790 260 N HA 0.353 5.093 4.740 0.000 0.000 0.256 260 N C -1.136 174.055 175.510 -0.533 0.000 1.409 260 N CA -0.084 52.480 53.050 -0.810 0.000 0.799 260 N CB 1.341 38.833 38.487 -1.657 0.000 1.170 260 N HN -0.077 nan 8.380 nan 0.000 0.507 261 S N 0.164 115.712 115.700 -0.253 0.000 3.025 261 S HA 0.361 4.831 4.470 0.000 0.000 0.251 261 S C 0.484 175.044 174.600 -0.067 0.000 0.954 261 S CA -0.275 57.859 58.200 -0.110 0.000 1.092 261 S CB 0.820 64.003 63.200 -0.029 0.000 1.079 261 S HN 0.598 nan 8.310 nan 0.000 0.543 262 A N 0.618 123.395 122.820 -0.073 0.000 1.857 262 A HA 0.834 5.154 4.320 0.000 0.000 0.198 262 A C 0.439 177.992 177.584 -0.051 0.000 1.775 262 A CA 0.552 52.537 52.037 -0.086 0.000 1.281 262 A CB 0.446 19.384 19.000 -0.103 0.000 1.355 262 A HN 0.683 nan 8.150 nan 0.000 0.417 263 A N -0.062 122.737 122.820 -0.036 0.000 2.611 263 A HA 0.576 4.896 4.320 0.000 0.000 0.282 263 A C 0.031 177.605 177.584 -0.015 0.000 1.114 263 A CA 0.352 52.375 52.037 -0.023 0.000 0.800 263 A CB 0.274 19.262 19.000 -0.021 0.000 1.325 263 A HN 1.224 nan 8.150 nan 0.000 0.411 264 G N 1.867 110.660 108.800 -0.011 0.000 4.951 264 G HA2 0.485 4.445 3.960 0.000 0.000 0.282 264 G HA3 0.485 4.445 3.960 0.000 0.000 0.282 264 G C 0.059 174.953 174.900 -0.009 0.000 1.301 264 G CA 0.400 45.496 45.100 -0.007 0.000 0.975 264 G HN 1.085 nan 8.290 nan 0.000 0.589 265 T N -2.958 111.592 114.554 -0.007 0.000 2.940 265 T HA 0.625 4.975 4.350 0.000 0.000 0.288 265 T C -1.648 173.042 174.700 -0.017 0.000 1.045 265 T CA -1.743 60.350 62.100 -0.011 0.000 1.018 265 T CB 2.701 71.569 68.868 -0.001 0.000 1.151 265 T HN -0.158 nan 8.240 nan 0.000 0.529 266 P HA -0.122 nan 4.420 nan 0.000 0.216 266 P C 0.823 178.076 177.300 -0.079 0.000 1.157 266 P CA 1.305 64.339 63.100 -0.111 0.000 0.880 266 P CB -0.186 31.381 31.700 -0.222 0.000 0.791 267 Y N -0.697 119.599 120.300 -0.006 0.000 2.497 267 Y HA 0.038 4.588 4.550 0.000 0.000 0.292 267 Y C 2.413 178.309 175.900 -0.007 0.000 1.137 267 Y CA 0.383 58.488 58.100 0.009 0.000 1.285 267 Y CB -1.393 37.057 38.460 -0.016 0.000 0.991 267 Y HN -0.091 nan 8.280 nan 0.000 0.556 268 A N -1.123 121.763 122.820 0.111 0.000 2.019 268 A HA -0.139 4.181 4.320 0.000 0.000 0.219 268 A C 2.244 179.873 177.584 0.075 0.000 1.164 268 A CA 1.794 53.873 52.037 0.068 0.000 0.644 268 A CB -0.631 18.386 19.000 0.028 0.000 0.805 268 A HN 0.298 nan 8.150 nan 0.000 0.449 269 S N -0.877 114.864 115.700 0.068 0.000 2.593 269 S HA 0.229 4.699 4.470 0.000 0.000 0.217 269 S C 0.599 175.258 174.600 0.099 0.000 0.966 269 S CA -0.097 58.142 58.200 0.064 0.000 0.914 269 S CB -0.268 62.951 63.200 0.031 0.000 0.776 269 S HN 0.624 nan 8.310 nan 0.000 0.523 270 M N 2.196 121.879 119.600 0.137 0.000 2.314 270 M HA 0.257 4.737 4.480 0.000 0.000 0.342 270 M C -0.496 175.915 176.300 0.184 0.000 1.171 270 M CA -0.213 55.175 55.300 0.146 0.000 1.098 270 M CB 0.997 33.710 32.600 0.188 0.000 1.559 270 M HN 0.244 nan 8.290 nan 0.000 0.459 271 H N 2.322 121.427 119.070 0.059 0.000 2.851 271 H HA 0.631 5.187 4.556 0.000 0.000 0.372 271 H C -2.000 173.385 175.328 0.094 0.000 1.158 271 H CA -0.403 55.709 56.048 0.107 0.000 1.159 271 H CB 1.973 31.816 29.762 0.135 0.000 1.757 271 H HN 0.789 nan 8.280 nan 0.000 0.546 272 S N 2.693 118.096 115.700 -0.495 0.000 2.550 272 S HA 0.516 4.986 4.470 0.000 0.000 0.270 272 S C -1.651 172.778 174.600 -0.285 0.000 1.145 272 S CA -0.805 57.218 58.200 -0.295 0.000 0.852 272 S CB 1.759 64.955 63.200 -0.007 0.000 1.119 272 S HN 0.339 nan 8.310 nan 0.000 0.465 273 V N 2.300 122.136 119.914 -0.131 0.000 2.487 273 V HA 0.516 4.636 4.120 0.000 0.000 0.298 273 V C -1.082 174.977 176.094 -0.058 0.000 1.028 273 V CA -0.564 61.630 62.300 -0.178 0.000 0.860 273 V CB 1.266 32.941 31.823 -0.247 0.000 0.991 273 V HN 0.927 nan 8.190 nan 0.000 0.427 274 F N 4.465 124.316 119.950 -0.164 0.000 2.332 274 F HA 0.495 5.022 4.527 0.000 0.000 0.368 274 F C -0.450 175.265 175.800 -0.143 0.000 1.110 274 F CA -0.801 57.169 58.000 -0.050 0.000 1.087 274 F CB 0.869 39.841 39.000 -0.047 0.000 1.235 274 F HN 0.487 nan 8.300 nan 0.000 0.470 275 Y N 6.473 126.986 120.300 0.356 0.000 2.600 275 Y HA 0.204 4.755 4.550 0.000 0.000 0.351 275 Y C 0.087 176.091 175.900 0.172 0.000 1.042 275 Y CA -0.477 57.754 58.100 0.219 0.000 1.333 275 Y CB 0.200 38.783 38.460 0.205 0.000 1.172 275 Y HN 0.370 nan 8.280 nan 0.000 0.517 276 L N 4.537 125.858 121.223 0.164 0.000 2.399 276 L HA 0.190 4.530 4.340 0.000 0.000 0.257 276 L C 0.063 177.051 176.870 0.196 0.000 1.236 276 L CA -0.356 54.539 54.840 0.091 0.000 1.144 276 L CB -0.656 41.388 42.059 -0.026 0.000 1.379 276 L HN 0.598 nan 8.230 nan 0.000 0.414 277 N N 0.678 119.513 118.700 0.224 0.000 2.371 277 N HA 0.064 4.804 4.740 0.000 0.000 0.243 277 N C 0.321 175.934 175.510 0.171 0.000 1.287 277 N CA -0.016 53.108 53.050 0.124 0.000 0.911 277 N CB 0.714 39.225 38.487 0.040 0.000 1.142 277 N HN 0.341 nan 8.380 nan 0.000 0.451 278 S N 0.155 115.776 115.700 -0.132 0.000 2.584 278 S HA 0.007 4.477 4.470 0.000 0.000 0.270 278 S C 1.337 175.689 174.600 -0.413 0.000 1.346 278 S CA -0.346 57.693 58.200 -0.268 0.000 1.018 278 S CB 0.569 63.478 63.200 -0.486 0.000 0.899 278 S HN 0.424 nan 8.310 nan 0.000 0.542 279 R N 0.934 120.884 120.500 -0.917 0.000 2.526 279 R HA 0.108 4.449 4.340 0.000 0.000 0.223 279 R C 0.793 176.665 176.300 -0.714 0.000 1.250 279 R CA 0.356 55.529 56.100 -1.545 0.000 1.227 279 R CB -0.634 28.512 30.300 -1.924 0.000 1.109 279 R HN 0.623 nan 8.270 nan 0.000 0.499 280 A N -1.360 121.166 122.820 -0.489 0.000 2.340 280 A HA 0.291 4.612 4.320 0.000 0.000 0.213 280 A C 1.626 179.047 177.584 -0.271 0.000 1.299 280 A CA 0.352 52.188 52.037 -0.334 0.000 0.994 280 A CB 0.370 19.164 19.000 -0.343 0.000 1.132 280 A HN 0.333 nan 8.150 nan 0.000 0.519 281 A N -0.985 121.614 122.820 -0.367 0.000 2.014 281 A HA 0.385 4.705 4.320 0.000 0.000 0.218 281 A C 1.995 179.555 177.584 -0.041 0.000 1.163 281 A CA 1.753 53.587 52.037 -0.338 0.000 0.652 281 A CB -0.535 18.176 19.000 -0.481 0.000 0.808 281 A HN 1.810 nan 8.150 nan 0.000 0.449 282 G N -1.832 106.999 108.800 0.051 0.000 2.284 282 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 282 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 282 G C 0.060 175.098 174.900 0.230 0.000 1.009 282 G CA 0.598 45.775 45.100 0.128 0.000 0.625 282 G HN 1.517 nan 8.290 nan 0.000 0.501 283 Q N -0.401 119.553 119.800 0.256 0.000 2.829 283 Q HA 0.588 4.928 4.340 0.000 0.000 0.296 283 Q C -0.721 175.351 176.000 0.119 0.000 0.893 283 Q CA -0.813 55.092 55.803 0.169 0.000 0.772 283 Q CB 0.990 29.799 28.738 0.118 0.000 1.489 283 Q HN 1.050 nan 8.270 nan 0.000 0.420 284 I N -0.793 119.807 120.570 0.051 0.000 2.498 284 I HA 0.756 4.926 4.170 0.000 0.000 0.301 284 I C -1.153 175.174 176.117 0.351 0.000 0.984 284 I CA -1.160 60.243 61.300 0.171 0.000 1.204 284 I CB 1.529 39.566 38.000 0.061 0.000 1.362 284 I HN 0.659 nan 8.210 nan 0.000 0.471 285 L N 6.410 127.881 121.223 0.415 0.000 2.381 285 L HA 0.500 4.840 4.340 0.000 0.000 0.274 285 L C -1.376 175.710 176.870 0.358 0.000 0.988 285 L CA -0.591 54.446 54.840 0.328 0.000 0.824 285 L CB 1.815 43.980 42.059 0.175 0.000 1.263 285 L HN 0.692 nan 8.230 nan 0.000 0.410 286 L N 4.888 126.165 121.223 0.090 0.000 2.262 286 L HA 0.404 4.744 4.340 0.000 0.000 0.288 286 L C -1.026 175.835 176.870 -0.016 0.000 1.035 286 L CA -0.253 54.450 54.840 -0.228 0.000 0.820 286 L CB 1.033 42.791 42.059 -0.503 0.000 1.204 286 L HN 0.629 nan 8.230 nan 0.000 0.424 287 D N 6.257 126.713 120.400 0.093 0.000 2.349 287 D HA 0.353 4.993 4.640 0.000 0.000 0.232 287 D C -0.701 175.670 176.300 0.117 0.000 1.071 287 D CA -0.190 53.895 54.000 0.142 0.000 0.832 287 D CB 1.354 42.314 40.800 0.266 0.000 1.086 287 D HN 0.491 nan 8.370 nan 0.000 0.504 288 I N 1.740 122.380 120.570 0.118 0.000 2.545 288 I HA 0.570 4.740 4.170 0.000 0.000 0.292 288 I C -1.605 174.571 176.117 0.098 0.000 1.040 288 I CA -0.620 60.748 61.300 0.112 0.000 1.068 288 I CB 1.860 39.961 38.000 0.168 0.000 1.251 288 I HN 0.315 nan 8.210 nan 0.000 0.424 289 Q N 6.407 126.268 119.800 0.101 0.000 2.511 289 Q HA 0.753 5.093 4.340 0.000 0.000 0.289 289 Q C -1.704 174.338 176.000 0.070 0.000 1.021 289 Q CA -0.838 55.011 55.803 0.078 0.000 0.785 289 Q CB 2.877 31.677 28.738 0.104 0.000 1.472 289 Q HN 0.901 nan 8.270 nan 0.000 0.411 290 I N 0.282 120.877 120.570 0.042 0.000 3.093 290 I HA 0.320 4.490 4.170 0.000 0.000 0.308 290 I C -1.676 174.473 176.117 0.053 0.000 1.303 290 I CA -0.954 60.374 61.300 0.048 0.000 0.975 290 I CB 2.381 40.390 38.000 0.014 0.000 1.286 290 I HN 0.951 nan 8.210 nan 0.000 0.459 291 D N 3.315 123.748 120.400 0.056 0.000 2.349 291 D HA 0.147 4.787 4.640 0.000 0.000 0.266 291 D C 1.023 177.341 176.300 0.031 0.000 1.293 291 D CA 0.372 54.405 54.000 0.056 0.000 0.926 291 D CB 1.267 42.086 40.800 0.032 0.000 1.090 291 D HN 0.651 nan 8.370 nan 0.000 0.502 292 G N 2.794 111.619 108.800 0.041 0.000 2.807 292 G HA2 -0.031 3.929 3.960 0.000 0.000 0.207 292 G HA3 -0.031 3.929 3.960 0.000 0.000 0.207 292 G C 1.221 176.134 174.900 0.021 0.000 1.151 292 G CA 0.241 45.357 45.100 0.026 0.000 0.800 292 G HN 0.586 nan 8.290 nan 0.000 0.523 293 G N 0.523 109.334 108.800 0.018 0.000 2.494 293 G HA2 0.226 4.186 3.960 0.000 0.000 0.216 293 G HA3 0.226 4.186 3.960 0.000 0.000 0.216 293 G C 0.832 175.730 174.900 -0.002 0.000 1.140 293 G CA 0.137 45.243 45.100 0.009 0.000 0.801 293 G HN 0.494 nan 8.290 nan 0.000 0.536 294 L N 1.418 122.636 121.223 -0.009 0.000 2.456 294 L HA 0.320 4.660 4.340 0.000 0.000 0.272 294 L C -0.178 176.679 176.870 -0.021 0.000 1.189 294 L CA -1.169 53.659 54.840 -0.021 0.000 0.846 294 L CB 0.166 42.205 42.059 -0.034 0.000 1.111 294 L HN 0.091 nan 8.230 nan 0.000 0.475 295 D N 1.414 121.801 120.400 -0.022 0.000 2.414 295 D HA 0.221 4.861 4.640 0.000 0.000 0.242 295 D C 1.047 177.332 176.300 -0.026 0.000 1.129 295 D CA 0.318 54.307 54.000 -0.018 0.000 0.885 295 D CB 0.995 41.786 40.800 -0.015 0.000 1.198 295 D HN 1.087 nan 8.370 nan 0.000 0.437 296 G N 1.045 109.835 108.800 -0.016 0.000 2.198 296 G HA2 -0.279 3.681 3.960 0.000 0.000 0.260 296 G HA3 -0.279 3.681 3.960 0.000 0.000 0.260 296 G C 1.091 175.975 174.900 -0.026 0.000 1.025 296 G CA 0.759 45.850 45.100 -0.015 0.000 0.769 296 G HN 0.873 nan 8.290 nan 0.000 0.507 297 A N -0.399 122.406 122.820 -0.025 0.000 1.927 297 A HA -0.123 4.197 4.320 0.000 0.000 0.220 297 A C 2.172 179.737 177.584 -0.033 0.000 1.185 297 A CA 2.314 54.329 52.037 -0.036 0.000 0.639 297 A CB -0.298 18.689 19.000 -0.021 0.000 0.820 297 A HN 0.508 nan 8.150 nan 0.000 0.451 298 E N -0.215 119.990 120.200 0.008 0.000 2.118 298 E HA -0.145 4.205 4.350 0.000 0.000 0.195 298 E C 2.266 178.912 176.600 0.077 0.000 0.992 298 E CA 1.323 57.758 56.400 0.058 0.000 0.804 298 E CB -0.389 29.361 29.700 0.084 0.000 0.741 298 E HN 0.552 nan 8.360 nan 0.000 0.458 299 A N 0.531 123.380 122.820 0.047 0.000 1.874 299 A HA -0.119 4.201 4.320 0.000 0.000 0.214 299 A C 2.288 179.922 177.584 0.083 0.000 1.189 299 A CA 1.274 53.348 52.037 0.063 0.000 0.615 299 A CB -0.648 18.376 19.000 0.040 0.000 0.830 299 A HN 0.239 nan 8.150 nan 0.000 0.443 300 L N -0.923 120.321 121.223 0.035 0.000 2.079 300 L HA -0.155 4.185 4.340 0.000 0.000 0.210 300 L C 2.126 179.146 176.870 0.249 0.000 1.081 300 L CA 1.018 55.910 54.840 0.087 0.000 0.752 300 L CB -1.212 40.706 42.059 -0.235 0.000 0.896 300 L HN 0.160 nan 8.230 nan 0.000 0.433 301 L N 1.020 122.308 121.223 0.108 0.000 2.083 301 L HA -0.170 4.170 4.340 0.000 0.000 0.209 301 L C 2.323 179.316 176.870 0.204 0.000 1.083 301 L CA 1.798 56.683 54.840 0.075 0.000 0.752 301 L CB -1.375 40.421 42.059 -0.438 0.000 0.899 301 L HN 0.612 nan 8.230 nan 0.000 0.433 302 N N -1.912 116.912 118.700 0.207 0.000 2.333 302 N HA -0.124 4.616 4.740 0.000 0.000 0.178 302 N C 1.417 177.009 175.510 0.138 0.000 1.018 302 N CA 0.695 53.842 53.050 0.162 0.000 0.882 302 N CB -0.545 38.017 38.487 0.125 0.000 0.984 302 N HN 0.118 nan 8.380 nan 0.000 0.434 303 D N 0.188 120.705 120.400 0.195 0.000 2.158 303 D HA -0.175 4.465 4.640 0.000 0.000 0.197 303 D C 1.285 177.765 176.300 0.299 0.000 0.995 303 D CA 0.786 54.936 54.000 0.251 0.000 0.846 303 D CB -0.315 40.674 40.800 0.315 0.000 0.941 303 D HN 0.381 nan 8.370 nan 0.000 0.456 304 F N 0.488 120.496 119.950 0.097 0.000 2.128 304 F HA -0.179 4.348 4.527 0.000 0.000 0.295 304 F C 2.177 177.784 175.800 -0.322 0.000 1.100 304 F CA 1.278 59.105 58.000 -0.289 0.000 1.260 304 F CB 0.019 38.732 39.000 -0.477 0.000 1.009 304 F HN -0.066 nan 8.300 nan 0.000 0.476 305 V N -0.462 119.196 119.914 -0.428 0.000 2.488 305 V HA 0.075 4.195 4.120 0.000 0.000 0.246 305 V C 2.369 178.330 176.094 -0.222 0.000 1.046 305 V CA 1.252 63.235 62.300 -0.528 0.000 1.053 305 V CB -1.456 30.181 31.823 -0.311 0.000 0.679 305 V HN 0.346 nan 8.190 nan 0.000 0.458 306 A N 0.964 123.730 122.820 -0.090 0.000 1.948 306 A HA -0.023 4.297 4.320 0.000 0.000 0.220 306 A C 2.428 180.008 177.584 -0.007 0.000 1.177 306 A CA 2.487 54.515 52.037 -0.015 0.000 0.636 306 A CB -1.032 17.984 19.000 0.027 0.000 0.815 306 A HN 1.084 nan 8.150 nan 0.000 0.449 307 A N -1.046 121.759 122.820 -0.025 0.000 2.067 307 A HA 0.215 4.535 4.320 0.000 0.000 0.217 307 A C 2.085 179.653 177.584 -0.026 0.000 1.156 307 A CA 1.306 53.365 52.037 0.036 0.000 0.683 307 A CB -0.424 18.686 19.000 0.183 0.000 0.808 307 A HN 0.324 nan 8.150 nan 0.000 0.455 308 V N 0.213 120.018 119.914 -0.182 0.000 2.407 308 V HA -0.111 4.009 4.120 0.000 0.000 0.245 308 V C 1.814 177.894 176.094 -0.024 0.000 1.041 308 V CA 2.028 64.247 62.300 -0.134 0.000 1.040 308 V CB -0.635 31.002 31.823 -0.309 0.000 0.671 308 V HN 0.700 nan 8.190 nan 0.000 0.455 309 N N -0.464 118.263 118.700 0.045 0.000 2.279 309 N HA 0.026 4.766 4.740 0.000 0.000 0.226 309 N C 1.458 177.010 175.510 0.070 0.000 1.126 309 N CA -0.028 53.086 53.050 0.106 0.000 0.846 309 N CB 0.087 38.804 38.487 0.384 0.000 1.050 309 N HN 0.372 nan 8.380 nan 0.000 0.502 310 E N -0.386 119.838 120.200 0.041 0.000 2.033 310 E HA -0.154 4.196 4.350 0.000 0.000 0.199 310 E C 1.132 177.754 176.600 0.036 0.000 1.011 310 E CA 1.481 57.906 56.400 0.042 0.000 0.815 310 E CB -0.210 29.517 29.700 0.044 0.000 0.755 310 E HN 0.488 nan 8.360 nan 0.000 0.451 311 G N 0.293 109.107 108.800 0.024 0.000 3.189 311 G HA2 0.036 3.996 3.960 0.000 0.000 0.225 311 G HA3 0.036 3.996 3.960 0.000 0.000 0.225 311 G C 0.403 175.310 174.900 0.012 0.000 1.159 311 G CA -0.014 45.096 45.100 0.017 0.000 0.763 311 G HN 0.115 nan 8.290 nan 0.000 0.549 312 T N -0.292 114.273 114.554 0.018 0.000 2.748 312 T HA 0.393 4.744 4.350 0.000 0.000 0.304 312 T C 1.600 176.324 174.700 0.040 0.000 1.041 312 T CA 0.409 62.521 62.100 0.020 0.000 1.033 312 T CB 1.602 70.490 68.868 0.032 0.000 0.995 312 T HN 0.065 nan 8.240 nan 0.000 0.536 313 G N -0.429 108.396 108.800 0.042 0.000 3.126 313 G HA2 0.378 4.338 3.960 0.000 0.000 0.224 313 G HA3 0.378 4.338 3.960 0.000 0.000 0.224 313 G C 0.284 175.218 174.900 0.058 0.000 1.142 313 G CA 0.081 45.206 45.100 0.041 0.000 0.759 313 G HN 0.704 nan 8.290 nan 0.000 0.550 314 V N -0.812 119.157 119.914 0.092 0.000 2.919 314 V HA 0.823 4.943 4.120 0.000 0.000 0.316 314 V C -1.310 174.859 176.094 0.126 0.000 1.077 314 V CA -1.269 61.095 62.300 0.107 0.000 0.977 314 V CB 2.184 34.091 31.823 0.141 0.000 1.039 314 V HN 0.225 nan 8.190 nan 0.000 0.441 315 E N 5.874 126.104 120.200 0.050 0.000 2.155 315 E HA 0.644 4.994 4.350 0.000 0.000 0.264 315 E C -2.597 173.909 176.600 -0.157 0.000 0.886 315 E CA -1.798 54.587 56.400 -0.025 0.000 0.752 315 E CB 1.706 31.383 29.700 -0.038 0.000 1.133 315 E HN 0.764 nan 8.360 nan 0.000 0.414 316 P HA 0.162 nan 4.420 nan 0.000 0.273 316 P C -0.660 176.359 177.300 -0.468 0.000 1.250 316 P CA -0.525 62.141 63.100 -0.723 0.000 0.793 316 P CB 0.927 31.519 31.700 -1.847 0.000 1.011 317 A N 0.683 123.263 122.820 -0.399 0.000 2.322 317 A HA 0.496 4.816 4.320 0.000 0.000 0.269 317 A C -0.320 177.080 177.584 -0.306 0.000 1.094 317 A CA -0.445 51.426 52.037 -0.276 0.000 0.807 317 A CB 0.276 19.162 19.000 -0.189 0.000 1.047 317 A HN 0.330 nan 8.150 nan 0.000 0.487 318 V N 2.409 122.181 119.914 -0.238 0.000 2.483 318 V HA 0.366 4.486 4.120 0.000 0.000 0.297 318 V C -0.591 175.386 176.094 -0.195 0.000 1.027 318 V CA -0.457 61.699 62.300 -0.240 0.000 0.855 318 V CB 1.289 32.954 31.823 -0.262 0.000 0.995 318 V HN 0.990 nan 8.190 nan 0.000 0.424 319 Q N 4.263 123.964 119.800 -0.166 0.000 2.322 319 Q HA 0.696 5.036 4.340 0.000 0.000 0.265 319 Q C -0.665 175.260 176.000 -0.125 0.000 0.985 319 Q CA -0.559 55.170 55.803 -0.124 0.000 0.849 319 Q CB 2.519 31.209 28.738 -0.080 0.000 1.274 319 Q HN 0.625 nan 8.270 nan 0.000 0.449 320 R N 0.833 121.260 120.500 -0.122 0.000 2.720 320 R HA 0.805 5.146 4.340 0.000 0.000 0.272 320 R C -0.775 175.524 176.300 -0.002 0.000 0.991 320 R CA -0.595 55.457 56.100 -0.081 0.000 1.010 320 R CB 1.759 31.975 30.300 -0.140 0.000 1.141 320 R HN 0.808 nan 8.270 nan 0.000 0.494 321 S N -0.609 115.125 115.700 0.057 0.000 2.565 321 S HA 0.302 4.772 4.470 0.000 0.000 0.274 321 S C -1.205 173.427 174.600 0.053 0.000 1.144 321 S CA -0.972 57.251 58.200 0.039 0.000 0.849 321 S CB 1.935 65.149 63.200 0.024 0.000 1.103 321 S HN 0.545 nan 8.310 nan 0.000 0.455 322 T N 0.934 115.508 114.554 0.034 0.000 2.848 322 T HA 0.704 5.054 4.350 0.000 0.000 0.285 322 T C -1.765 172.946 174.700 0.019 0.000 0.995 322 T CA -0.278 61.842 62.100 0.033 0.000 0.970 322 T CB 0.979 69.868 68.868 0.034 0.000 0.976 322 T HN 0.698 nan 8.240 nan 0.000 0.441 323 E N 4.755 124.964 120.200 0.015 0.000 2.314 323 E HA 0.522 4.872 4.350 0.000 0.000 0.272 323 E C -2.800 173.808 176.600 0.013 0.000 0.884 323 E CA -2.140 54.260 56.400 -0.001 0.000 0.753 323 E CB 1.620 31.301 29.700 -0.032 0.000 1.213 323 E HN 0.359 nan 8.360 nan 0.000 0.432 324 P HA -0.094 nan 4.420 nan 0.000 0.267 324 P C -0.106 177.219 177.300 0.042 0.000 1.200 324 P CA -0.152 62.986 63.100 0.063 0.000 0.772 324 P CB 0.523 32.264 31.700 0.069 0.000 0.855 325 W N 3.928 125.156 121.300 -0.119 0.000 2.333 325 W HA -0.208 4.452 4.660 0.000 0.000 0.316 325 W C 1.835 178.171 176.519 -0.305 0.000 1.215 325 W CA 1.292 58.503 57.345 -0.223 0.000 1.278 325 W CB -0.839 28.447 29.460 -0.290 0.000 1.154 325 W HN 0.238 nan 8.180 nan 0.000 0.486 326 L N 1.588 122.708 121.223 -0.173 0.000 2.083 326 L HA -0.128 4.212 4.340 0.000 0.000 0.209 326 L C 2.702 179.382 176.870 -0.317 0.000 1.083 326 L CA 2.380 57.003 54.840 -0.361 0.000 0.752 326 L CB -1.222 40.783 42.059 -0.090 0.000 0.899 326 L HN 0.120 nan 8.230 nan 0.000 0.433 327 R N -0.533 119.865 120.500 -0.171 0.000 2.080 327 R HA -0.205 4.135 4.340 0.000 0.000 0.236 327 R C 2.156 178.347 176.300 -0.181 0.000 1.137 327 R CA 1.751 57.777 56.100 -0.122 0.000 0.943 327 R CB -0.490 29.776 30.300 -0.056 0.000 0.846 327 R HN 0.467 nan 8.270 nan 0.000 0.431 328 A N -0.053 122.622 122.820 -0.240 0.000 1.877 328 A HA -0.135 4.185 4.320 0.000 0.000 0.216 328 A C 2.244 179.653 177.584 -0.292 0.000 1.186 328 A CA 2.058 53.957 52.037 -0.230 0.000 0.620 328 A CB -1.017 17.849 19.000 -0.224 0.000 0.822 328 A HN 0.502 nan 8.150 nan 0.000 0.443 329 T N 0.222 114.451 114.554 -0.541 0.000 2.759 329 T HA -0.057 4.293 4.350 0.000 0.000 0.269 329 T C 1.515 176.047 174.700 -0.280 0.000 1.042 329 T CA 1.229 62.980 62.100 -0.582 0.000 1.140 329 T CB -0.254 67.911 68.868 -1.172 0.000 0.864 329 T HN 0.324 nan 8.240 nan 0.000 0.455 330 L N 0.704 121.799 121.223 -0.212 0.000 2.591 330 L HA 0.302 4.642 4.340 0.000 0.000 0.228 330 L C 1.265 178.144 176.870 0.015 0.000 1.133 330 L CA -0.408 54.389 54.840 -0.071 0.000 0.880 330 L CB -0.601 41.420 42.059 -0.062 0.000 1.033 330 L HN 0.147 nan 8.230 nan 0.000 0.450 331 A N 1.665 124.495 122.820 0.017 0.000 2.573 331 A HA -0.122 4.198 4.320 0.000 0.000 0.250 331 A C 1.075 178.772 177.584 0.190 0.000 1.049 331 A CA 0.102 52.172 52.037 0.054 0.000 0.767 331 A CB -0.535 18.460 19.000 -0.007 0.000 0.965 331 A HN 0.687 nan 8.150 nan 0.000 0.514 332 N N 2.182 120.975 118.700 0.155 0.000 2.482 332 N HA -0.020 4.720 4.740 0.000 0.000 0.220 332 N C -0.070 175.590 175.510 0.250 0.000 1.255 332 N CA -0.129 53.084 53.050 0.270 0.000 0.850 332 N CB 0.024 38.609 38.487 0.163 0.000 1.127 332 N HN 0.623 nan 8.380 nan 0.000 0.475 333 K N 0.750 121.123 120.400 -0.045 0.000 3.233 333 K HA 0.044 4.364 4.320 0.000 0.000 0.283 333 K C -0.750 175.487 176.600 -0.605 0.000 1.209 333 K CA 0.116 56.215 56.287 -0.312 0.000 1.197 333 K CB -0.260 32.014 32.500 -0.378 0.000 1.431 333 K HN 0.371 nan 8.250 nan 0.000 0.326 334 F N -0.653 119.359 119.950 0.103 0.000 2.838 334 F HA 0.043 4.570 4.527 0.000 0.000 0.329 334 F C 0.606 176.519 175.800 0.189 0.000 1.116 334 F CA -1.180 56.915 58.000 0.159 0.000 1.155 334 F CB 0.275 39.370 39.000 0.159 0.000 1.106 334 F HN 0.109 nan 8.300 nan 0.000 0.538 335 D N 1.395 121.953 120.400 0.263 0.000 2.520 335 D HA -0.109 4.531 4.640 0.000 0.000 0.243 335 D C 1.267 177.676 176.300 0.182 0.000 1.160 335 D CA 0.850 54.969 54.000 0.198 0.000 0.877 335 D CB 1.383 42.255 40.800 0.120 0.000 1.150 335 D HN 0.101 nan 8.370 nan 0.000 0.494 336 T N 2.788 117.452 114.554 0.182 0.000 3.035 336 T HA 0.073 4.423 4.350 0.000 0.000 0.268 336 T C 1.388 176.166 174.700 0.129 0.000 1.109 336 T CA 1.272 63.456 62.100 0.140 0.000 1.119 336 T CB -0.585 68.307 68.868 0.040 0.000 0.900 336 T HN 0.791 nan 8.240 nan 0.000 0.503 337 G N 0.185 109.040 108.800 0.090 0.000 2.249 337 G HA2 -0.088 3.872 3.960 0.000 0.000 0.273 337 G HA3 -0.088 3.872 3.960 0.000 0.000 0.273 337 G C 1.066 175.975 174.900 0.015 0.000 1.036 337 G CA 0.611 45.762 45.100 0.084 0.000 0.824 337 G HN 1.387 nan 8.290 nan 0.000 0.504 338 G N -1.905 106.836 108.800 -0.098 0.000 2.254 338 G HA2 -0.175 3.785 3.960 0.000 0.000 0.225 338 G HA3 -0.175 3.785 3.960 0.000 0.000 0.225 338 G C 0.380 174.997 174.900 -0.472 0.000 1.003 338 G CA 0.241 45.159 45.100 -0.302 0.000 0.622 338 G HN 1.191 nan 8.290 nan 0.000 0.507 339 F N 3.014 122.851 119.950 -0.188 0.000 2.567 339 F HA 0.438 4.965 4.527 0.000 0.000 0.352 339 F C 1.090 176.710 175.800 -0.300 0.000 1.229 339 F CA -0.103 57.757 58.000 -0.233 0.000 1.228 339 F CB 0.682 39.539 39.000 -0.239 0.000 1.568 339 F HN 0.173 nan 8.300 nan 0.000 0.634 340 D N -0.041 120.184 120.400 -0.292 0.000 2.398 340 D HA 0.015 4.655 4.640 0.000 0.000 0.210 340 D C 0.408 176.374 176.300 -0.555 0.000 1.094 340 D CA -0.160 53.581 54.000 -0.432 0.000 0.839 340 D CB 0.080 40.647 40.800 -0.389 0.000 0.963 340 D HN 0.258 nan 8.370 nan 0.000 0.506 341 R N 0.578 120.686 120.500 -0.654 0.000 2.297 341 R HA 0.548 4.888 4.340 0.000 0.000 0.308 341 R C -0.069 175.608 176.300 -1.038 0.000 1.029 341 R CA -0.128 55.370 56.100 -1.002 0.000 0.929 341 R CB 1.136 30.489 30.300 -1.579 0.000 1.046 341 R HN 0.204 nan 8.270 nan 0.000 0.461 342 T N -0.543 113.558 114.554 -0.755 0.000 2.923 342 T HA 0.445 4.795 4.350 0.000 0.000 0.311 342 T C -1.122 173.507 174.700 -0.119 0.000 1.183 342 T CA -1.136 60.747 62.100 -0.362 0.000 1.020 342 T CB 2.216 71.070 68.868 -0.024 0.000 1.165 342 T HN 0.407 nan 8.240 nan 0.000 0.482 343 K N 1.678 122.137 120.400 0.098 0.000 2.507 343 K HA 0.733 5.053 4.320 0.000 0.000 0.252 343 K C -0.724 175.844 176.600 -0.054 0.000 0.943 343 K CA -0.230 56.124 56.287 0.111 0.000 0.808 343 K CB 1.697 34.332 32.500 0.225 0.000 1.142 343 K HN 0.990 nan 8.250 nan 0.000 0.426 344 S N 2.554 118.178 115.700 -0.127 0.000 2.709 344 S HA 0.824 5.294 4.470 0.000 0.000 0.302 344 S C -1.315 173.150 174.600 -0.225 0.000 1.127 344 S CA -1.029 56.974 58.200 -0.328 0.000 0.905 344 S CB 1.354 64.291 63.200 -0.437 0.000 1.151 344 S HN 0.632 nan 8.310 nan 0.000 0.510 345 K N -0.609 119.594 120.400 -0.328 0.000 2.546 345 K HA 0.763 5.084 4.320 0.000 0.000 0.264 345 K C -0.621 175.961 176.600 -0.031 0.000 0.937 345 K CA -1.147 54.969 56.287 -0.284 0.000 0.833 345 K CB 1.785 33.821 32.500 -0.772 0.000 1.378 345 K HN 0.898 nan 8.250 nan 0.000 0.432 346 G N 0.004 108.919 108.800 0.192 0.000 2.680 346 G HA2 0.854 4.814 3.960 0.000 0.000 0.290 346 G HA3 0.854 4.814 3.960 0.000 0.000 0.290 346 G C -1.664 173.488 174.900 0.420 0.000 1.355 346 G CA -0.824 44.494 45.100 0.363 0.000 0.903 346 G HN 0.767 nan 8.290 nan 0.000 0.474 347 A N -0.577 122.420 122.820 0.294 0.000 2.589 347 A HA 0.670 4.990 4.320 0.000 0.000 0.296 347 A C -2.130 175.423 177.584 -0.053 0.000 1.062 347 A CA -0.658 51.470 52.037 0.152 0.000 0.686 347 A CB 1.047 20.184 19.000 0.230 0.000 1.282 347 A HN 0.666 nan 8.150 nan 0.000 0.404 348 Y N 1.390 121.673 120.300 -0.028 0.000 2.341 348 Y HA 0.526 5.076 4.550 0.000 0.000 0.340 348 Y C 0.085 175.919 175.900 -0.111 0.000 0.997 348 Y CA -0.151 57.893 58.100 -0.093 0.000 1.149 348 Y CB 1.400 39.802 38.460 -0.096 0.000 1.171 348 Y HN 0.501 nan 8.280 nan 0.000 0.494 349 L N 4.906 126.132 121.223 0.005 0.000 2.272 349 L HA 0.458 4.798 4.340 0.000 0.000 0.289 349 L C 1.260 178.133 176.870 0.004 0.000 1.032 349 L CA -0.535 54.260 54.840 -0.075 0.000 0.810 349 L CB 1.759 43.667 42.059 -0.251 0.000 1.205 349 L HN 0.716 nan 8.230 nan 0.000 0.422 350 R N 1.586 122.087 120.500 0.001 0.000 2.093 350 R HA 0.089 4.429 4.340 0.000 0.000 0.224 350 R C 0.137 176.443 176.300 0.009 0.000 1.101 350 R CA 1.071 57.182 56.100 0.018 0.000 0.979 350 R CB 0.461 30.767 30.300 0.010 0.000 0.877 350 R HN 0.562 nan 8.270 nan 0.000 0.441 351 K N -0.394 119.995 120.400 -0.017 0.000 2.482 351 K HA 0.377 4.697 4.320 0.000 0.000 0.257 351 K C -2.718 173.850 176.600 -0.053 0.000 0.969 351 K CA -2.112 54.170 56.287 -0.010 0.000 0.842 351 K CB 2.253 34.758 32.500 0.008 0.000 1.359 351 K HN -0.170 nan 8.250 nan 0.000 0.441 352 P HA 0.071 nan 4.420 nan 0.000 0.274 352 P C -0.788 176.513 177.300 0.001 0.000 1.246 352 P CA -0.345 62.738 63.100 -0.028 0.000 0.795 352 P CB 0.304 32.057 31.700 0.088 0.000 1.006 353 W N -0.408 120.914 121.300 0.036 0.000 2.275 353 W HA 0.064 4.724 4.660 0.000 0.000 0.353 353 W C 1.694 178.218 176.519 0.008 0.000 1.277 353 W CA 0.328 57.678 57.345 0.008 0.000 1.347 353 W CB -0.496 28.941 29.460 -0.038 0.000 1.220 353 W HN 0.262 nan 8.180 nan 0.000 0.613 354 T N 0.278 114.997 114.554 0.274 0.000 2.771 354 T HA 0.370 4.720 4.350 0.000 0.000 0.290 354 T C 1.233 176.001 174.700 0.113 0.000 1.005 354 T CA 0.142 62.331 62.100 0.149 0.000 0.944 354 T CB 0.803 69.737 68.868 0.110 0.000 1.147 354 T HN 0.496 nan 8.240 nan 0.000 0.534 355 A N 0.992 123.853 122.820 0.069 0.000 1.873 355 A HA 0.063 4.383 4.320 0.000 0.000 0.218 355 A C 2.630 180.227 177.584 0.022 0.000 1.193 355 A CA 2.444 54.504 52.037 0.039 0.000 0.629 355 A CB -1.530 17.486 19.000 0.026 0.000 0.826 355 A HN 1.078 nan 8.150 nan 0.000 0.447 356 A N -1.246 121.585 122.820 0.019 0.000 1.929 356 A HA -0.135 4.185 4.320 0.000 0.000 0.216 356 A C 2.099 179.659 177.584 -0.039 0.000 1.176 356 A CA 1.509 53.543 52.037 -0.005 0.000 0.628 356 A CB -0.521 18.479 19.000 0.000 0.000 0.816 356 A HN 0.640 nan 8.150 nan 0.000 0.444 357 Q N -0.599 119.187 119.800 -0.023 0.000 2.170 357 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 357 Q C 2.308 178.142 176.000 -0.277 0.000 0.976 357 Q CA 1.390 57.116 55.803 -0.128 0.000 0.858 357 Q CB -0.348 28.459 28.738 0.114 0.000 0.907 357 Q HN 0.700 nan 8.270 nan 0.000 0.433 358 A N 0.608 123.355 122.820 -0.122 0.000 1.968 358 A HA -0.019 4.301 4.320 0.000 0.000 0.217 358 A C 2.214 179.786 177.584 -0.019 0.000 1.169 358 A CA 1.274 53.242 52.037 -0.116 0.000 0.638 358 A CB -0.547 18.439 19.000 -0.024 0.000 0.812 358 A HN 0.388 nan 8.150 nan 0.000 0.446 359 A N -0.807 121.998 122.820 -0.024 0.000 1.873 359 A HA -0.075 4.245 4.320 0.000 0.000 0.215 359 A C 2.295 179.875 177.584 -0.007 0.000 1.186 359 A CA 2.241 54.280 52.037 0.004 0.000 0.616 359 A CB -1.282 17.713 19.000 -0.009 0.000 0.823 359 A HN 0.393 nan 8.150 nan 0.000 0.442 360 T N 0.379 114.888 114.554 -0.076 0.000 2.720 360 T HA -0.125 4.225 4.350 0.000 0.000 0.268 360 T C 1.789 176.423 174.700 -0.109 0.000 1.037 360 T CA 1.464 63.507 62.100 -0.096 0.000 1.144 360 T CB -0.304 68.445 68.868 -0.199 0.000 0.864 360 T HN 0.177 nan 8.240 nan 0.000 0.444 361 L N 0.116 121.227 121.223 -0.186 0.000 1.976 361 L HA -0.015 4.325 4.340 0.000 0.000 0.209 361 L C 2.100 178.919 176.870 -0.086 0.000 1.071 361 L CA 1.712 56.453 54.840 -0.165 0.000 0.746 361 L CB -1.507 40.432 42.059 -0.199 0.000 0.890 361 L HN 0.334 nan 8.230 nan 0.000 0.432 362 Y N 0.656 120.833 120.300 -0.205 0.000 2.081 362 Y HA -0.332 4.218 4.550 0.000 0.000 0.280 362 Y C 2.814 178.528 175.900 -0.310 0.000 1.163 362 Y CA 2.042 59.817 58.100 -0.541 0.000 1.135 362 Y CB -0.117 38.063 38.460 -0.468 0.000 0.970 362 Y HN 0.119 nan 8.280 nan 0.000 0.498 363 R N -1.497 118.924 120.500 -0.133 0.000 2.120 363 R HA -0.173 4.167 4.340 0.000 0.000 0.234 363 R C 1.882 178.020 176.300 -0.271 0.000 1.123 363 R CA 1.756 57.741 56.100 -0.192 0.000 0.975 363 R CB -0.427 29.832 30.300 -0.068 0.000 0.866 363 R HN 0.498 nan 8.270 nan 0.000 0.446 364 H N -0.380 118.558 119.070 -0.220 0.000 2.431 364 H HA 0.139 4.695 4.556 0.000 0.000 0.295 364 H C 1.837 177.146 175.328 -0.032 0.000 1.038 364 H CA 0.774 56.723 56.048 -0.165 0.000 1.360 364 H CB 0.317 29.905 29.762 -0.289 0.000 1.433 364 H HN -0.000 nan 8.280 nan 0.000 0.536 365 L N -0.771 120.448 121.223 -0.005 0.000 2.217 365 L HA -0.116 4.224 4.340 0.000 0.000 0.211 365 L C 2.405 179.016 176.870 -0.431 0.000 1.107 365 L CA 0.983 55.825 54.840 0.004 0.000 0.783 365 L CB -0.160 41.948 42.059 0.082 0.000 0.919 365 L HN 0.244 nan 8.230 nan 0.000 0.442 366 S N -0.130 115.145 115.700 -0.709 0.000 2.362 366 S HA 0.087 4.557 4.470 0.000 0.000 0.221 366 S C 1.267 175.459 174.600 -0.679 0.000 1.032 366 S CA 0.412 57.961 58.200 -1.085 0.000 0.973 366 S CB -0.097 62.297 63.200 -1.343 0.000 0.849 366 S HN 0.316 nan 8.310 nan 0.000 0.465 367 A N 2.211 124.753 122.820 -0.463 0.000 2.587 367 A HA 0.029 4.349 4.320 0.000 0.000 0.233 367 A C 0.379 177.792 177.584 -0.286 0.000 1.049 367 A CA 0.314 52.155 52.037 -0.326 0.000 0.754 367 A CB -0.245 18.581 19.000 -0.289 0.000 0.977 367 A HN 0.501 nan 8.150 nan 0.000 0.509 368 D N 1.766 122.018 120.400 -0.247 0.000 2.773 368 D HA 0.014 4.654 4.640 0.000 0.000 0.225 368 D C 0.721 176.897 176.300 -0.207 0.000 1.065 368 D CA 0.953 54.820 54.000 -0.222 0.000 1.308 368 D CB -0.635 40.062 40.800 -0.172 0.000 1.144 368 D HN 0.561 nan 8.370 nan 0.000 0.462 369 S N 0.891 116.426 115.700 -0.276 0.000 2.614 369 S HA 0.067 4.537 4.470 0.000 0.000 0.265 369 S C 0.567 174.971 174.600 -0.325 0.000 1.303 369 S CA -0.519 57.483 58.200 -0.331 0.000 1.000 369 S CB 1.572 64.356 63.200 -0.694 0.000 0.935 369 S HN 0.445 nan 8.310 nan 0.000 0.551 370 Q N 1.729 121.351 119.800 -0.298 0.000 2.188 370 Q HA 0.277 4.618 4.340 0.000 0.000 0.212 370 Q C -0.343 175.489 176.000 -0.279 0.000 0.846 370 Q CA -0.231 55.423 55.803 -0.250 0.000 0.989 370 Q CB 0.386 29.008 28.738 -0.192 0.000 1.114 370 Q HN 0.649 nan 8.270 nan 0.000 0.488 371 V N -2.585 117.085 119.914 -0.407 0.000 3.007 371 V HA 0.453 4.573 4.120 0.000 0.000 0.311 371 V C -1.053 174.776 176.094 -0.442 0.000 1.120 371 V CA -1.082 61.000 62.300 -0.363 0.000 0.980 371 V CB 1.725 33.300 31.823 -0.414 0.000 1.033 371 V HN 0.334 nan 8.190 nan 0.000 0.429 372 W N 4.531 125.609 121.300 -0.370 0.000 2.688 372 W HA 0.491 5.151 4.660 0.000 0.000 0.402 372 W C 0.424 176.819 176.519 -0.205 0.000 1.188 372 W CA 0.879 58.070 57.345 -0.257 0.000 1.561 372 W CB 0.265 29.637 29.460 -0.145 0.000 1.653 372 W HN 1.002 nan 8.180 nan 0.000 0.442 373 G N 3.595 112.214 108.800 -0.302 0.000 2.537 373 G HA2 0.665 4.625 3.960 0.000 0.000 0.323 373 G HA3 0.665 4.625 3.960 0.000 0.000 0.323 373 G C -1.385 173.579 174.900 0.106 0.000 1.207 373 G CA -0.608 44.594 45.100 0.170 0.000 0.976 373 G HN 0.366 nan 8.290 nan 0.000 0.487 374 E N -2.072 118.247 120.200 0.199 0.000 2.584 374 E HA 0.354 4.704 4.350 0.000 0.000 0.295 374 E C -1.783 174.868 176.600 0.085 0.000 1.109 374 E CA -0.865 55.615 56.400 0.132 0.000 0.900 374 E CB 1.081 30.867 29.700 0.143 0.000 1.195 374 E HN 0.419 nan 8.360 nan 0.000 0.433 375 V N 2.094 122.054 119.914 0.076 0.000 2.313 375 V HA 0.501 4.621 4.120 0.000 0.000 0.278 375 V C -0.387 175.734 176.094 0.046 0.000 1.017 375 V CA -0.691 61.631 62.300 0.037 0.000 0.823 375 V CB 1.321 33.135 31.823 -0.015 0.000 1.010 375 V HN 0.729 nan 8.190 nan 0.000 0.443 376 S N 6.087 121.828 115.700 0.068 0.000 2.475 376 S HA 0.666 5.136 4.470 0.000 0.000 0.281 376 S C -0.252 174.256 174.600 -0.153 0.000 1.198 376 S CA -0.397 57.739 58.200 -0.107 0.000 1.063 376 S CB 0.562 63.681 63.200 -0.136 0.000 0.972 376 S HN 0.529 nan 8.310 nan 0.000 0.486 377 L N 4.296 125.401 121.223 -0.196 0.000 2.296 377 L HA 0.534 4.874 4.340 0.000 0.000 0.286 377 L C -1.294 175.490 176.870 -0.145 0.000 1.023 377 L CA -0.797 54.027 54.840 -0.028 0.000 0.812 377 L CB 0.628 42.748 42.059 0.101 0.000 1.223 377 L HN 0.588 nan 8.230 nan 0.000 0.421 378 Y N 0.527 120.941 120.300 0.190 0.000 2.335 378 Y HA 0.342 4.892 4.550 0.000 0.000 0.338 378 Y C 0.794 176.813 175.900 0.197 0.000 0.977 378 Y CA -0.961 57.261 58.100 0.202 0.000 1.114 378 Y CB 1.796 40.462 38.460 0.343 0.000 1.182 378 Y HN 0.630 nan 8.280 nan 0.000 0.463 379 S N 2.700 118.598 115.700 0.329 0.000 2.566 379 S HA 0.269 4.739 4.470 0.000 0.000 0.280 379 S C -0.812 174.092 174.600 0.507 0.000 1.343 379 S CA -0.077 58.362 58.200 0.399 0.000 1.036 379 S CB 0.790 64.266 63.200 0.460 0.000 0.866 379 S HN 0.778 nan 8.310 nan 0.000 0.526 380 Y N 0.461 120.911 120.300 0.248 0.000 3.036 380 Y HA 0.558 5.108 4.550 0.000 0.000 0.302 380 Y C 0.916 176.897 175.900 0.136 0.000 1.671 380 Y CA 0.079 58.282 58.100 0.172 0.000 1.082 380 Y CB 0.675 39.187 38.460 0.088 0.000 1.632 380 Y HN 1.237 nan 8.280 nan 0.000 0.454 381 G N 0.714 109.422 108.800 -0.154 0.000 2.528 381 G HA2 0.235 4.196 3.960 0.000 0.000 0.262 381 G HA3 0.235 4.196 3.960 0.000 0.000 0.262 381 G C 0.606 175.408 174.900 -0.163 0.000 1.200 381 G CA 0.463 45.501 45.100 -0.103 0.000 0.951 381 G HN 2.259 nan 8.290 nan 0.000 0.566 382 G N -1.050 107.705 108.800 -0.075 0.000 2.562 382 G HA2 -0.017 3.943 3.960 0.000 0.000 0.250 382 G HA3 -0.017 3.943 3.960 0.000 0.000 0.250 382 G C 0.798 175.657 174.900 -0.069 0.000 1.269 382 G CA 1.190 46.253 45.100 -0.062 0.000 0.919 382 G HN 1.755 nan 8.290 nan 0.000 0.574 383 K N -0.425 119.946 120.400 -0.049 0.000 2.360 383 K HA 0.172 4.492 4.320 0.000 0.000 0.201 383 K C 2.549 179.115 176.600 -0.056 0.000 1.046 383 K CA 1.730 57.996 56.287 -0.034 0.000 0.945 383 K CB -0.397 32.103 32.500 0.000 0.000 0.750 383 K HN 0.814 nan 8.250 nan 0.000 0.464 384 V N 1.452 121.297 119.914 -0.116 0.000 2.392 384 V HA -0.283 3.837 4.120 0.000 0.000 0.249 384 V C 0.589 176.625 176.094 -0.096 0.000 1.059 384 V CA 2.240 64.454 62.300 -0.143 0.000 1.051 384 V CB -0.377 31.241 31.823 -0.341 0.000 0.658 384 V HN 0.520 nan 8.190 nan 0.000 0.455 385 N N -0.223 118.424 118.700 -0.088 0.000 2.461 385 N HA 0.003 4.743 4.740 0.000 0.000 0.188 385 N C 1.556 177.047 175.510 -0.031 0.000 1.134 385 N CA 0.895 53.917 53.050 -0.047 0.000 0.878 385 N CB -0.223 38.245 38.487 -0.032 0.000 0.972 385 N HN 0.384 nan 8.380 nan 0.000 0.456 386 S N -0.107 115.574 115.700 -0.032 0.000 2.469 386 S HA 0.014 4.484 4.470 0.000 0.000 0.238 386 S C 0.745 175.337 174.600 -0.014 0.000 0.998 386 S CA 0.300 58.488 58.200 -0.020 0.000 0.957 386 S CB 0.031 63.221 63.200 -0.018 0.000 0.764 386 S HN 0.114 nan 8.310 nan 0.000 0.514 387 V N 3.256 123.158 119.914 -0.020 0.000 2.481 387 V HA 0.301 4.421 4.120 0.000 0.000 0.286 387 V C -2.411 173.681 176.094 -0.002 0.000 1.042 387 V CA -2.323 59.968 62.300 -0.015 0.000 0.928 387 V CB 1.030 32.833 31.823 -0.034 0.000 0.986 387 V HN 0.042 nan 8.190 nan 0.000 0.462 388 P HA 0.094 nan 4.420 nan 0.000 0.268 388 P C 0.859 178.183 177.300 0.041 0.000 1.204 388 P CA -0.069 63.053 63.100 0.035 0.000 0.768 388 P CB 0.599 32.335 31.700 0.061 0.000 0.842 389 E N 2.303 122.528 120.200 0.041 0.000 2.197 389 E HA -0.298 4.052 4.350 0.000 0.000 0.205 389 E C 0.832 177.494 176.600 0.104 0.000 1.029 389 E CA 1.973 58.403 56.400 0.050 0.000 0.828 389 E CB -0.219 29.510 29.700 0.047 0.000 0.737 389 E HN 0.355 nan 8.360 nan 0.000 0.464 390 T N -1.852 112.796 114.554 0.156 0.000 3.258 390 T HA 0.541 4.891 4.350 0.000 0.000 0.263 390 T C 0.347 175.343 174.700 0.494 0.000 0.983 390 T CA 0.293 62.579 62.100 0.310 0.000 0.907 390 T CB 0.257 69.264 68.868 0.233 0.000 1.096 390 T HN 0.319 nan 8.240 nan 0.000 0.556 391 A N -0.152 122.790 122.820 0.203 0.000 2.229 391 A HA 0.487 4.807 4.320 0.000 0.000 0.211 391 A C 1.156 178.401 177.584 -0.565 0.000 1.193 391 A CA 0.022 52.118 52.037 0.099 0.000 0.879 391 A CB 0.428 19.472 19.000 0.073 0.000 0.911 391 A HN 0.490 nan 8.150 nan 0.000 0.492 392 T N -2.670 111.507 114.554 -0.628 0.000 2.831 392 T HA 0.553 4.903 4.350 0.000 0.000 0.287 392 T C 0.373 174.620 174.700 -0.755 0.000 1.070 392 T CA 0.264 61.797 62.100 -0.945 0.000 1.010 392 T CB 1.689 70.280 68.868 -0.461 0.000 1.264 392 T HN 0.352 nan 8.240 nan 0.000 0.532 393 A N 1.058 123.490 122.820 -0.647 0.000 2.337 393 A HA 0.322 4.643 4.320 0.000 0.000 0.227 393 A C 0.875 178.466 177.584 0.012 0.000 1.259 393 A CA 0.359 52.276 52.037 -0.200 0.000 0.870 393 A CB -0.610 18.286 19.000 -0.173 0.000 0.927 393 A HN 0.744 nan 8.150 nan 0.000 0.497 394 T N -3.039 111.496 114.554 -0.031 0.000 2.853 394 T HA 0.603 4.953 4.350 0.000 0.000 0.317 394 T C 0.736 175.451 174.700 0.026 0.000 1.059 394 T CA 0.029 62.165 62.100 0.059 0.000 0.954 394 T CB 1.339 70.248 68.868 0.068 0.000 0.994 394 T HN 0.319 nan 8.240 nan 0.000 0.479 395 A N 3.064 125.915 122.820 0.052 0.000 2.067 395 A HA 0.135 4.455 4.320 0.000 0.000 0.217 395 A C 1.263 178.801 177.584 -0.077 0.000 1.156 395 A CA 0.315 52.364 52.037 0.020 0.000 0.683 395 A CB -0.337 18.706 19.000 0.071 0.000 0.808 395 A HN 0.733 nan 8.150 nan 0.000 0.455 396 Q N 0.905 120.579 119.800 -0.210 0.000 2.431 396 Q HA 0.239 4.579 4.340 0.000 0.000 0.234 396 Q C 0.071 175.969 176.000 -0.169 0.000 1.203 396 Q CA 0.251 55.830 55.803 -0.374 0.000 0.902 396 Q CB 0.355 28.395 28.738 -1.162 0.000 1.455 396 Q HN 0.269 nan 8.270 nan 0.000 0.515 397 R N 1.500 121.952 120.500 -0.079 0.000 2.652 397 R HA 0.142 4.482 4.340 0.000 0.000 0.372 397 R C -0.440 175.855 176.300 -0.008 0.000 1.104 397 R CA 0.000 56.085 56.100 -0.026 0.000 1.072 397 R CB 0.616 30.902 30.300 -0.023 0.000 1.367 397 R HN 0.371 nan 8.270 nan 0.000 0.577 398 D N -0.028 120.371 120.400 -0.001 0.000 2.785 398 D HA 0.144 4.784 4.640 0.000 0.000 0.324 398 D C -0.805 175.525 176.300 0.050 0.000 1.523 398 D CA 0.112 54.122 54.000 0.016 0.000 0.789 398 D CB 0.650 41.450 40.800 0.000 0.000 1.171 398 D HN -0.181 nan 8.370 nan 0.000 0.447 399 S N -0.182 115.588 115.700 0.116 0.000 2.578 399 S HA 0.470 4.940 4.470 0.000 0.000 0.301 399 S C 1.252 175.993 174.600 0.234 0.000 1.091 399 S CA -0.788 57.526 58.200 0.189 0.000 1.032 399 S CB 1.652 65.038 63.200 0.310 0.000 1.064 399 S HN 0.336 nan 8.310 nan 0.000 0.508 400 I N -1.275 119.407 120.570 0.186 0.000 4.139 400 I HA 0.526 4.696 4.170 0.000 0.000 0.320 400 I C -0.461 175.795 176.117 0.232 0.000 1.290 400 I CA 0.280 61.696 61.300 0.194 0.000 1.253 400 I CB 0.267 38.350 38.000 0.140 0.000 1.122 400 I HN 0.361 nan 8.210 nan 0.000 0.421 401 I N 1.710 122.369 120.570 0.148 0.000 2.686 401 I HA 0.453 4.623 4.170 0.000 0.000 0.295 401 I C -0.760 175.357 176.117 0.001 0.000 1.114 401 I CA -0.705 60.642 61.300 0.079 0.000 1.038 401 I CB 2.366 40.341 38.000 -0.042 0.000 1.238 401 I HN -0.068 nan 8.210 nan 0.000 0.420 402 K N 4.524 124.934 120.400 0.017 0.000 2.270 402 K HA 0.661 4.981 4.320 0.000 0.000 0.255 402 K C -1.155 175.577 176.600 0.221 0.000 0.936 402 K CA -0.605 55.596 56.287 -0.144 0.000 0.809 402 K CB 2.666 34.868 32.500 -0.496 0.000 1.131 402 K HN 0.491 nan 8.250 nan 0.000 0.427 403 V N -0.166 119.862 119.914 0.191 0.000 2.604 403 V HA 0.626 4.746 4.120 0.000 0.000 0.305 403 V C -1.493 174.850 176.094 0.415 0.000 1.043 403 V CA -0.896 61.611 62.300 0.344 0.000 0.888 403 V CB 1.708 33.738 31.823 0.345 0.000 0.995 403 V HN 0.816 nan 8.190 nan 0.000 0.429 404 W N 7.115 128.528 121.300 0.190 0.000 2.538 404 W HA 0.798 5.458 4.660 0.000 0.000 0.322 404 W C -0.662 175.889 176.519 0.054 0.000 1.028 404 W CA -1.323 56.026 57.345 0.007 0.000 1.228 404 W CB 2.077 31.552 29.460 0.024 0.000 1.356 404 W HN 0.687 nan 8.180 nan 0.000 0.452 405 M N 5.547 124.966 119.600 -0.303 0.000 2.363 405 M HA 0.643 5.123 4.480 0.000 0.000 0.343 405 M C -0.001 175.834 176.300 -0.774 0.000 1.165 405 M CA -0.620 54.462 55.300 -0.363 0.000 1.046 405 M CB 1.472 33.986 32.600 -0.144 0.000 1.648 405 M HN 0.446 nan 8.290 nan 0.000 0.452 406 S N 0.872 116.248 115.700 -0.540 0.000 2.570 406 S HA 0.919 5.389 4.470 0.000 0.000 0.270 406 S C -1.423 173.180 174.600 0.004 0.000 1.149 406 S CA -0.955 56.949 58.200 -0.494 0.000 0.837 406 S CB 2.132 64.777 63.200 -0.925 0.000 1.124 406 S HN 0.963 nan 8.310 nan 0.000 0.465 407 A N 1.180 124.101 122.820 0.168 0.000 2.359 407 A HA 0.821 5.141 4.320 0.000 0.000 0.303 407 A C -0.347 177.550 177.584 0.522 0.000 1.066 407 A CA -0.650 51.638 52.037 0.417 0.000 0.730 407 A CB 1.462 20.776 19.000 0.524 0.000 1.211 407 A HN 0.790 nan 8.150 nan 0.000 0.439 408 T N 2.107 116.964 114.554 0.504 0.000 2.885 408 T HA 0.782 5.132 4.350 0.000 0.000 0.285 408 T C -0.800 174.227 174.700 0.546 0.000 1.019 408 T CA 0.006 62.309 62.100 0.337 0.000 1.010 408 T CB 0.772 69.763 68.868 0.205 0.000 1.022 408 T HN 1.195 nan 8.240 nan 0.000 0.466 409 W N 1.559 122.937 121.300 0.131 0.000 2.946 409 W HA 0.502 5.162 4.660 0.000 0.000 0.364 409 W C -0.395 176.232 176.519 0.179 0.000 1.134 409 W CA -0.868 56.614 57.345 0.229 0.000 1.140 409 W CB 0.893 30.458 29.460 0.175 0.000 1.463 409 W HN 0.574 nan 8.180 nan 0.000 0.564 410 M N 0.940 120.716 119.600 0.294 0.000 2.379 410 M HA 0.135 4.616 4.480 0.000 0.000 0.268 410 M C -0.364 175.922 176.300 -0.022 0.000 1.185 410 M CA 0.411 55.644 55.300 -0.112 0.000 1.121 410 M CB 0.333 32.644 32.600 -0.483 0.000 1.608 410 M HN 0.422 nan 8.290 nan 0.000 0.569 411 D N 1.485 122.012 120.400 0.211 0.000 2.256 411 D HA 0.217 4.857 4.640 0.000 0.000 0.240 411 D C -2.153 174.141 176.300 -0.009 0.000 1.062 411 D CA -1.796 52.181 54.000 -0.038 0.000 0.832 411 D CB 2.069 42.697 40.800 -0.286 0.000 1.135 411 D HN 0.036 nan 8.370 nan 0.000 0.484 412 P HA -0.189 nan 4.420 nan 0.000 0.217 412 P C 1.226 178.491 177.300 -0.058 0.000 1.148 412 P CA 1.144 64.259 63.100 0.025 0.000 0.834 412 P CB 0.077 31.763 31.700 -0.024 0.000 0.783 413 A N -0.082 122.597 122.820 -0.234 0.000 1.978 413 A HA -0.210 4.110 4.320 0.000 0.000 0.220 413 A C 1.593 179.094 177.584 -0.138 0.000 1.170 413 A CA 1.490 53.396 52.037 -0.218 0.000 0.636 413 A CB -1.811 17.027 19.000 -0.270 0.000 0.810 413 A HN 0.420 nan 8.150 nan 0.000 0.448 414 H N -0.945 118.097 119.070 -0.047 0.000 2.517 414 H HA 0.107 4.663 4.556 0.000 0.000 0.282 414 H C 0.741 175.792 175.328 -0.462 0.000 1.023 414 H CA -0.236 55.682 56.048 -0.218 0.000 1.169 414 H CB 0.277 29.896 29.762 -0.239 0.000 1.454 414 H HN 0.396 nan 8.280 nan 0.000 0.556 415 D N 1.501 121.805 120.400 -0.161 0.000 2.092 415 D HA -0.158 4.482 4.640 0.000 0.000 0.193 415 D C 1.372 177.537 176.300 -0.225 0.000 0.994 415 D CA 1.370 55.275 54.000 -0.159 0.000 0.828 415 D CB -0.181 40.699 40.800 0.135 0.000 0.963 415 D HN 0.432 nan 8.370 nan 0.000 0.450 416 D N 0.501 120.847 120.400 -0.091 0.000 2.123 416 D HA -0.094 4.546 4.640 0.000 0.000 0.196 416 D C 1.997 178.251 176.300 -0.076 0.000 0.992 416 D CA 1.507 55.481 54.000 -0.043 0.000 0.833 416 D CB -0.199 40.604 40.800 0.005 0.000 0.954 416 D HN 0.166 nan 8.370 nan 0.000 0.455 417 A N 0.645 123.392 122.820 -0.122 0.000 1.873 417 A HA -0.185 4.135 4.320 0.000 0.000 0.215 417 A C 2.006 179.497 177.584 -0.155 0.000 1.186 417 A CA 1.280 53.251 52.037 -0.110 0.000 0.616 417 A CB -0.472 18.452 19.000 -0.126 0.000 0.823 417 A HN 0.148 nan 8.150 nan 0.000 0.442 418 N N -0.055 118.400 118.700 -0.409 0.000 2.142 418 N HA -0.081 4.659 4.740 0.000 0.000 0.186 418 N C 1.764 177.139 175.510 -0.224 0.000 1.023 418 N CA 1.354 54.110 53.050 -0.490 0.000 0.852 418 N CB -0.347 37.271 38.487 -1.448 0.000 0.998 418 N HN 0.456 nan 8.380 nan 0.000 0.424 419 L N 1.195 122.277 121.223 -0.235 0.000 2.012 419 L HA -0.180 4.160 4.340 0.000 0.000 0.210 419 L C 2.587 179.439 176.870 -0.030 0.000 1.073 419 L CA 1.437 56.242 54.840 -0.057 0.000 0.748 419 L CB -0.559 41.493 42.059 -0.012 0.000 0.891 419 L HN 0.101 nan 8.230 nan 0.000 0.431 420 A N -0.202 122.631 122.820 0.021 0.000 1.908 420 A HA -0.286 4.034 4.320 0.000 0.000 0.218 420 A C 2.166 179.808 177.584 0.096 0.000 1.181 420 A CA 1.806 53.898 52.037 0.092 0.000 0.627 420 A CB -1.207 17.865 19.000 0.119 0.000 0.818 420 A HN 0.743 nan 8.150 nan 0.000 0.445 421 W N 1.814 123.078 121.300 -0.061 0.000 2.317 421 W HA -0.283 4.377 4.660 0.000 0.000 0.318 421 W C 1.645 178.123 176.519 -0.068 0.000 1.227 421 W CA 2.575 59.890 57.345 -0.050 0.000 1.269 421 W CB -0.522 28.890 29.460 -0.079 0.000 1.155 421 W HN 0.438 nan 8.180 nan 0.000 0.484 422 I N 0.535 120.979 120.570 -0.209 0.000 2.439 422 I HA -0.115 4.055 4.170 0.000 0.000 0.251 422 I C 2.485 178.399 176.117 -0.337 0.000 1.139 422 I CA 1.334 62.408 61.300 -0.376 0.000 1.438 422 I CB -1.213 36.717 38.000 -0.116 0.000 1.085 422 I HN -0.143 nan 8.210 nan 0.000 0.427 423 R N 1.057 121.374 120.500 -0.305 0.000 2.115 423 R HA -0.063 4.277 4.340 0.000 0.000 0.230 423 R C 2.069 178.226 176.300 -0.238 0.000 1.111 423 R CA 1.402 57.223 56.100 -0.465 0.000 0.976 423 R CB -0.454 29.283 30.300 -0.939 0.000 0.870 423 R HN 0.588 nan 8.270 nan 0.000 0.445 424 E N 0.641 120.753 120.200 -0.146 0.000 2.076 424 E HA -0.080 4.270 4.350 0.000 0.000 0.190 424 E C 2.101 178.491 176.600 -0.349 0.000 0.979 424 E CA 0.834 57.188 56.400 -0.076 0.000 0.807 424 E CB -0.020 29.669 29.700 -0.018 0.000 0.761 424 E HN 0.277 nan 8.360 nan 0.000 0.454 425 I N 0.160 120.353 120.570 -0.628 0.000 2.226 425 I HA -0.274 3.896 4.170 0.000 0.000 0.245 425 I C 2.454 178.329 176.117 -0.404 0.000 1.100 425 I CA 1.143 61.996 61.300 -0.746 0.000 1.374 425 I CB -0.582 36.923 38.000 -0.826 0.000 1.057 425 I HN 0.063 nan 8.210 nan 0.000 0.413 426 Y N 1.896 121.988 120.300 -0.347 0.000 2.081 426 Y HA -0.321 4.229 4.550 0.000 0.000 0.280 426 Y C 2.984 178.876 175.900 -0.012 0.000 1.163 426 Y CA 1.853 59.871 58.100 -0.136 0.000 1.135 426 Y CB -0.152 38.268 38.460 -0.066 0.000 0.970 426 Y HN -0.044 nan 8.280 nan 0.000 0.498 427 R N 0.303 120.847 120.500 0.074 0.000 2.075 427 R HA -0.200 4.140 4.340 0.000 0.000 0.232 427 R C 2.234 178.530 176.300 -0.006 0.000 1.126 427 R CA 1.945 58.115 56.100 0.118 0.000 0.963 427 R CB -0.284 30.197 30.300 0.302 0.000 0.858 427 R HN 0.509 nan 8.270 nan 0.000 0.435 428 E N 0.658 120.787 120.200 -0.119 0.000 2.072 428 E HA -0.124 4.226 4.350 0.000 0.000 0.190 428 E C 1.992 178.467 176.600 -0.208 0.000 0.982 428 E CA 1.068 57.380 56.400 -0.147 0.000 0.803 428 E CB -0.091 29.483 29.700 -0.210 0.000 0.755 428 E HN 0.406 nan 8.360 nan 0.000 0.453 429 I N -0.694 119.654 120.570 -0.371 0.000 2.756 429 I HA -0.123 4.047 4.170 0.000 0.000 0.262 429 I C 0.511 176.319 176.117 -0.514 0.000 1.225 429 I CA 1.326 62.328 61.300 -0.496 0.000 1.472 429 I CB -0.410 37.120 38.000 -0.783 0.000 1.094 429 I HN 0.017 nan 8.210 nan 0.000 0.454 430 F N 2.269 122.134 119.950 -0.142 0.000 2.653 430 F HA 0.530 5.057 4.527 0.000 0.000 0.304 430 F C 1.604 177.367 175.800 -0.062 0.000 1.092 430 F CA -0.710 57.221 58.000 -0.114 0.000 1.279 430 F CB -0.614 38.229 39.000 -0.262 0.000 1.044 430 F HN 0.005 nan 8.300 nan 0.000 0.564 431 A N -0.083 122.781 122.820 0.074 0.000 2.587 431 A HA 0.288 4.608 4.320 0.000 0.000 0.233 431 A C 1.428 179.056 177.584 0.073 0.000 1.049 431 A CA 1.580 53.651 52.037 0.056 0.000 0.754 431 A CB -0.138 18.871 19.000 0.015 0.000 0.977 431 A HN 0.577 nan 8.150 nan 0.000 0.509 432 T N 0.172 114.764 114.554 0.063 0.000 5.401 432 T HA -0.146 4.204 4.350 0.000 0.000 0.268 432 T C 0.797 175.531 174.700 0.057 0.000 2.216 432 T CA 1.663 63.797 62.100 0.057 0.000 3.796 432 T CB -1.554 67.353 68.868 0.066 0.000 0.342 432 T HN 1.215 nan 8.240 nan 0.000 0.838 433 T N -0.094 114.500 114.554 0.066 0.000 3.192 433 T HA 0.506 4.856 4.350 0.000 0.000 0.295 433 T C 1.104 175.826 174.700 0.036 0.000 0.947 433 T CA 0.665 62.791 62.100 0.044 0.000 0.916 433 T CB 0.638 69.531 68.868 0.042 0.000 1.169 433 T HN 1.466 nan 8.240 nan 0.000 0.540 434 G N 0.954 109.786 108.800 0.054 0.000 2.131 434 G HA2 0.068 4.029 3.960 0.000 0.000 0.223 434 G HA3 0.068 4.029 3.960 0.000 0.000 0.223 434 G C 0.989 175.941 174.900 0.086 0.000 0.990 434 G CA 0.407 45.542 45.100 0.057 0.000 0.671 434 G HN 1.317 nan 8.290 nan 0.000 0.521 435 G N -2.669 106.194 108.800 0.105 0.000 2.194 435 G HA2 0.158 4.118 3.960 0.000 0.000 0.236 435 G HA3 0.158 4.118 3.960 0.000 0.000 0.236 435 G C 0.864 175.832 174.900 0.113 0.000 0.987 435 G CA 1.310 46.497 45.100 0.144 0.000 0.635 435 G HN 2.313 nan 8.290 nan 0.000 0.520 436 V N -2.889 117.038 119.914 0.022 0.000 3.001 436 V HA 0.921 5.041 4.120 0.000 0.000 0.314 436 V C -2.647 173.191 176.094 -0.426 0.000 1.099 436 V CA -2.434 59.788 62.300 -0.130 0.000 0.989 436 V CB 2.302 34.125 31.823 -0.001 0.000 1.040 436 V HN 0.079 nan 8.190 nan 0.000 0.434 437 P HA 0.288 nan 4.420 nan 0.000 0.256 437 P C -0.248 176.860 177.300 -0.320 0.000 1.689 437 P CA -0.103 62.543 63.100 -0.757 0.000 1.124 437 P CB 0.713 31.877 31.700 -0.893 0.000 1.766 438 V N 6.337 126.128 119.914 -0.205 0.000 2.572 438 V HA 0.079 4.199 4.120 0.000 0.000 0.291 438 V C -1.802 174.238 176.094 -0.089 0.000 1.039 438 V CA -1.456 60.774 62.300 -0.117 0.000 1.055 438 V CB 0.094 31.875 31.823 -0.071 0.000 0.969 438 V HN 0.348 nan 8.190 nan 0.000 0.482 439 P HA 0.104 nan 4.420 nan 0.000 0.258 439 P C -0.592 176.691 177.300 -0.028 0.000 1.187 439 P CA 0.701 63.775 63.100 -0.044 0.000 0.767 439 P CB 0.322 32.002 31.700 -0.033 0.000 0.770 440 D N 1.415 121.802 120.400 -0.022 0.000 2.768 440 D HA 0.032 4.672 4.640 0.000 0.000 0.327 440 D C 0.405 176.703 176.300 -0.003 0.000 1.302 440 D CA -0.297 53.698 54.000 -0.009 0.000 0.897 440 D CB 0.981 41.778 40.800 -0.006 0.000 1.420 440 D HN 0.135 nan 8.370 nan 0.000 0.494 441 D N -0.501 119.902 120.400 0.005 0.000 2.309 441 D HA -0.040 4.600 4.640 0.000 0.000 0.212 441 D C 1.353 177.658 176.300 0.007 0.000 0.968 441 D CA 1.256 55.260 54.000 0.007 0.000 0.882 441 D CB 0.415 41.222 40.800 0.011 0.000 0.918 441 D HN 0.080 nan 8.370 nan 0.000 0.503 442 R N -1.309 119.195 120.500 0.007 0.000 2.316 442 R HA 0.158 4.498 4.340 0.000 0.000 0.201 442 R C 0.512 176.806 176.300 -0.010 0.000 0.888 442 R CA 0.518 56.621 56.100 0.005 0.000 1.041 442 R CB 0.907 31.221 30.300 0.023 0.000 1.115 442 R HN 0.151 nan 8.270 nan 0.000 0.559 443 T N -2.366 112.179 114.554 -0.015 0.000 2.887 443 T HA 0.347 4.697 4.350 0.000 0.000 0.292 443 T C -0.168 174.516 174.700 -0.027 0.000 1.087 443 T CA -0.661 61.419 62.100 -0.034 0.000 1.009 443 T CB 2.666 71.484 68.868 -0.084 0.000 1.203 443 T HN -0.044 nan 8.240 nan 0.000 0.518 444 E N 0.053 120.246 120.200 -0.012 0.000 2.948 444 E HA 0.366 4.716 4.350 0.000 0.000 0.186 444 E C 0.732 177.326 176.600 -0.010 0.000 0.951 444 E CA 0.078 56.462 56.400 -0.027 0.000 1.308 444 E CB 0.583 30.244 29.700 -0.065 0.000 1.037 444 E HN 1.230 nan 8.360 nan 0.000 0.469 445 G N 1.115 109.903 108.800 -0.019 0.000 2.498 445 G HA2 -0.275 3.685 3.960 0.000 0.000 0.245 445 G HA3 -0.275 3.685 3.960 0.000 0.000 0.245 445 G C 0.006 174.980 174.900 0.123 0.000 1.204 445 G CA 0.054 45.134 45.100 -0.033 0.000 0.933 445 G HN 0.215 nan 8.290 nan 0.000 0.574 446 T N -1.419 113.205 114.554 0.116 0.000 2.812 446 T HA 0.601 4.951 4.350 0.000 0.000 0.294 446 T C -1.681 173.315 174.700 0.493 0.000 1.159 446 T CA 0.004 62.245 62.100 0.236 0.000 1.008 446 T CB 1.488 70.389 68.868 0.055 0.000 1.289 446 T HN 1.333 nan 8.240 nan 0.000 0.514 447 F N 4.356 124.544 119.950 0.396 0.000 2.404 447 F HA 0.383 4.910 4.527 0.000 0.000 0.354 447 F C 1.512 177.568 175.800 0.427 0.000 1.122 447 F CA -2.095 56.104 58.000 0.331 0.000 1.080 447 F CB 0.618 39.478 39.000 -0.233 0.000 1.131 447 F HN 0.515 nan 8.300 nan 0.000 0.471 448 I N 2.453 123.021 120.570 -0.003 0.000 2.454 448 I HA -0.201 3.969 4.170 0.000 0.000 0.254 448 I C 0.822 176.651 176.117 -0.480 0.000 1.156 448 I CA 1.358 62.440 61.300 -0.362 0.000 1.433 448 I CB -0.653 37.171 38.000 -0.294 0.000 1.082 448 I HN 0.435 nan 8.210 nan 0.000 0.432 449 N N 0.695 118.735 118.700 -1.099 0.000 2.521 449 N HA -0.015 4.725 4.740 0.000 0.000 0.188 449 N C -0.265 175.130 175.510 -0.191 0.000 1.146 449 N CA 0.565 53.189 53.050 -0.711 0.000 0.893 449 N CB -0.401 37.582 38.487 -0.841 0.000 0.975 449 N HN 0.615 nan 8.380 nan 0.000 0.451 450 Y N 0.888 121.213 120.300 0.041 0.000 2.902 450 Y HA 0.305 4.855 4.550 0.000 0.000 0.353 450 Y C -2.083 174.039 175.900 0.370 0.000 1.116 450 Y CA -2.430 55.912 58.100 0.403 0.000 1.222 450 Y CB 0.757 39.541 38.460 0.540 0.000 1.302 450 Y HN -0.070 nan 8.280 nan 0.000 0.590 451 P HA 0.085 nan 4.420 nan 0.000 0.275 451 P C -0.699 176.783 177.300 0.303 0.000 1.227 451 P CA -0.024 63.261 63.100 0.308 0.000 0.781 451 P CB 1.793 33.635 31.700 0.237 0.000 0.906 452 D N 2.026 122.616 120.400 0.316 0.000 2.375 452 D HA 0.064 4.705 4.640 0.000 0.000 0.241 452 D C 0.418 176.817 176.300 0.165 0.000 1.361 452 D CA -0.513 53.596 54.000 0.181 0.000 0.995 452 D CB 1.145 42.009 40.800 0.106 0.000 1.312 452 D HN -0.106 nan 8.370 nan 0.000 0.576 453 V N 2.980 122.965 119.914 0.118 0.000 3.305 453 V HA -0.099 4.021 4.120 0.000 0.000 0.269 453 V C 0.894 177.031 176.094 0.071 0.000 1.157 453 V CA 1.309 63.672 62.300 0.104 0.000 1.157 453 V CB -0.074 31.817 31.823 0.113 0.000 0.772 453 V HN 0.441 nan 8.190 nan 0.000 0.498 454 D N -0.072 120.352 120.400 0.039 0.000 2.264 454 D HA -0.103 4.537 4.640 0.000 0.000 0.208 454 D C 1.890 178.246 176.300 0.095 0.000 0.966 454 D CA 0.865 54.875 54.000 0.016 0.000 0.864 454 D CB -0.158 40.563 40.800 -0.132 0.000 0.933 454 D HN 0.388 nan 8.370 nan 0.000 0.499 455 L N 0.170 121.465 121.223 0.120 0.000 2.465 455 L HA -0.036 4.304 4.340 0.000 0.000 0.224 455 L C 1.340 178.317 176.870 0.179 0.000 1.145 455 L CA 0.385 55.324 54.840 0.164 0.000 0.834 455 L CB 0.134 42.312 42.059 0.197 0.000 0.944 455 L HN -0.018 nan 8.230 nan 0.000 0.451 456 V N -1.742 118.260 119.914 0.147 0.000 3.621 456 V HA 0.041 4.161 4.120 0.000 0.000 0.285 456 V C -0.034 176.137 176.094 0.128 0.000 1.346 456 V CA 0.078 62.456 62.300 0.131 0.000 1.104 456 V CB 0.072 31.912 31.823 0.028 0.000 0.913 456 V HN 0.277 nan 8.190 nan 0.000 0.432 457 D N -0.300 120.192 120.400 0.153 0.000 2.344 457 D HA 0.246 4.886 4.640 0.000 0.000 0.239 457 D C 1.036 177.448 176.300 0.188 0.000 1.064 457 D CA -0.339 53.763 54.000 0.169 0.000 0.829 457 D CB 1.484 42.406 40.800 0.202 0.000 1.129 457 D HN 0.133 nan 8.370 nan 0.000 0.506 458 E N 2.072 122.353 120.200 0.135 0.000 2.265 458 E HA -0.103 4.247 4.350 0.000 0.000 0.196 458 E C 0.564 177.221 176.600 0.096 0.000 0.996 458 E CA 0.618 57.084 56.400 0.109 0.000 0.832 458 E CB 0.173 29.917 29.700 0.074 0.000 0.756 458 E HN 0.399 nan 8.360 nan 0.000 0.491 459 R N -0.498 120.057 120.500 0.092 0.000 4.779 459 R HA 0.037 4.377 4.340 0.000 0.000 0.217 459 R C -0.431 175.833 176.300 -0.060 0.000 1.934 459 R CA 0.249 56.344 56.100 -0.008 0.000 1.623 459 R CB -0.154 30.137 30.300 -0.016 0.000 1.364 459 R HN 0.285 nan 8.270 nan 0.000 0.799 460 W N -2.043 119.288 121.300 0.051 0.000 4.543 460 W HA 0.013 4.673 4.660 0.000 0.000 0.156 460 W C 0.129 176.691 176.519 0.072 0.000 3.469 460 W CA -0.415 56.966 57.345 0.060 0.000 1.213 460 W CB 0.051 29.552 29.460 0.069 0.000 2.047 460 W HN 0.047 nan 8.180 nan 0.000 0.454 461 N N -0.158 118.795 118.700 0.422 0.000 3.255 461 N HA 0.368 5.108 4.740 0.000 0.000 0.359 461 N C -0.963 174.657 175.510 0.184 0.000 1.463 461 N CA 0.760 53.983 53.050 0.290 0.000 0.695 461 N CB 0.168 38.839 38.487 0.306 0.000 1.581 461 N HN -0.014 nan 8.380 nan 0.000 0.622 462 T N 0.082 114.721 114.554 0.141 0.000 2.413 462 T HA -0.135 4.215 4.350 0.000 0.000 0.516 462 T C -0.479 174.258 174.700 0.061 0.000 0.823 462 T CA 0.276 62.426 62.100 0.083 0.000 2.731 462 T CB -1.449 67.477 68.868 0.097 0.000 1.694 462 T HN 0.384 nan 8.240 nan 0.000 0.469 463 S N 2.040 117.764 115.700 0.040 0.000 2.434 463 S HA 0.549 5.019 4.470 0.000 0.000 0.318 463 S C 1.590 176.198 174.600 0.013 0.000 1.062 463 S CA 0.386 58.605 58.200 0.032 0.000 1.116 463 S CB 0.822 64.043 63.200 0.034 0.000 0.977 463 S HN 1.523 nan 8.310 nan 0.000 0.480 464 G N 2.781 111.589 108.800 0.012 0.000 2.435 464 G HA2 -0.268 3.692 3.960 0.000 0.000 0.245 464 G HA3 -0.268 3.692 3.960 0.000 0.000 0.245 464 G C 0.172 175.058 174.900 -0.022 0.000 1.073 464 G CA 0.270 45.372 45.100 0.003 0.000 0.638 464 G HN 0.705 nan 8.290 nan 0.000 0.521 465 V N 4.015 123.905 119.914 -0.041 0.000 2.406 465 V HA 0.487 4.607 4.120 0.000 0.000 0.272 465 V C -1.294 174.702 176.094 -0.162 0.000 1.043 465 V CA -1.328 60.916 62.300 -0.092 0.000 0.915 465 V CB 1.343 33.118 31.823 -0.081 0.000 0.988 465 V HN 0.250 nan 8.190 nan 0.000 0.466 466 P HA 0.041 nan 4.420 nan 0.000 0.273 466 P C 0.979 177.944 177.300 -0.557 0.000 1.250 466 P CA -0.414 62.375 63.100 -0.518 0.000 0.793 466 P CB 0.485 31.493 31.700 -1.152 0.000 1.011 467 W N 1.569 122.632 121.300 -0.395 0.000 2.350 467 W HA -0.229 4.431 4.660 0.000 0.000 0.289 467 W C 1.531 177.992 176.519 -0.096 0.000 1.215 467 W CA 1.282 58.533 57.345 -0.155 0.000 1.236 467 W CB -2.019 27.462 29.460 0.036 0.000 1.130 467 W HN 0.450 nan 8.180 nan 0.000 0.541 468 Y N 0.864 120.450 120.300 -1.191 0.000 2.395 468 Y HA 0.109 4.659 4.550 0.000 0.000 0.293 468 Y C 2.523 178.115 175.900 -0.513 0.000 1.123 468 Y CA 1.478 58.755 58.100 -1.371 0.000 1.227 468 Y CB -1.410 35.596 38.460 -2.423 0.000 1.012 468 Y HN -0.251 nan 8.280 nan 0.000 0.552 469 T N 1.897 116.285 114.554 -0.276 0.000 2.867 469 T HA -0.052 4.298 4.350 0.000 0.000 0.268 469 T C 1.855 176.501 174.700 -0.089 0.000 1.057 469 T CA 1.328 63.400 62.100 -0.047 0.000 1.136 469 T CB -0.394 68.429 68.868 -0.075 0.000 0.874 469 T HN 0.326 nan 8.240 nan 0.000 0.466 470 L N -0.568 120.539 121.223 -0.192 0.000 2.012 470 L HA -0.131 4.209 4.340 0.000 0.000 0.210 470 L C 2.278 178.993 176.870 -0.259 0.000 1.073 470 L CA 1.770 56.465 54.840 -0.242 0.000 0.748 470 L CB -0.599 41.255 42.059 -0.341 0.000 0.891 470 L HN 0.337 nan 8.230 nan 0.000 0.431 471 Y N -2.331 117.887 120.300 -0.137 0.000 2.269 471 Y HA -0.116 4.434 4.550 0.000 0.000 0.294 471 Y C 1.643 177.392 175.900 -0.252 0.000 1.120 471 Y CA 0.795 58.738 58.100 -0.262 0.000 1.159 471 Y CB 0.141 38.233 38.460 -0.614 0.000 1.024 471 Y HN 0.040 nan 8.280 nan 0.000 0.532 472 Y N -0.604 119.825 120.300 0.215 0.000 2.500 472 Y HA 0.217 4.767 4.550 0.000 0.000 0.246 472 Y C 0.701 176.679 175.900 0.130 0.000 1.146 472 Y CA -1.335 56.876 58.100 0.186 0.000 1.230 472 Y CB -0.091 38.509 38.460 0.232 0.000 1.214 472 Y HN -0.140 nan 8.280 nan 0.000 0.526 473 K N -0.534 119.980 120.400 0.190 0.000 2.020 473 K HA -0.298 4.022 4.320 0.000 0.000 0.142 473 K C 1.593 178.300 176.600 0.177 0.000 1.458 473 K CA 1.140 57.505 56.287 0.129 0.000 0.544 473 K CB -1.488 31.058 32.500 0.077 0.000 0.566 473 K HN 0.421 nan 8.250 nan 0.000 0.927 474 G N 0.887 109.767 108.800 0.133 0.000 2.708 474 G HA2 -0.184 3.776 3.960 0.000 0.000 0.210 474 G HA3 -0.184 3.776 3.960 0.000 0.000 0.210 474 G C 0.947 175.926 174.900 0.132 0.000 1.141 474 G CA 0.854 46.027 45.100 0.123 0.000 0.788 474 G HN 0.381 nan 8.290 nan 0.000 0.531 475 N N -0.634 118.176 118.700 0.183 0.000 2.515 475 N HA -0.022 4.718 4.740 0.000 0.000 0.185 475 N C 1.314 176.906 175.510 0.137 0.000 1.109 475 N CA -0.009 53.145 53.050 0.173 0.000 0.903 475 N CB -0.247 38.382 38.487 0.237 0.000 0.969 475 N HN 0.612 nan 8.380 nan 0.000 0.450 476 Y N 2.072 122.395 120.300 0.038 0.000 2.145 476 Y HA -0.076 4.475 4.550 0.000 0.000 0.286 476 Y C -0.808 174.999 175.900 -0.154 0.000 1.145 476 Y CA 1.203 59.248 58.100 -0.092 0.000 1.148 476 Y CB -0.790 37.622 38.460 -0.080 0.000 0.981 476 Y HN 0.070 nan 8.280 nan 0.000 0.507 477 P HA -0.244 nan 4.420 nan 0.000 0.216 477 P C 1.207 178.329 177.300 -0.297 0.000 1.157 477 P CA 2.355 65.248 63.100 -0.346 0.000 0.880 477 P CB -0.136 31.466 31.700 -0.164 0.000 0.791 478 R N -0.594 119.780 120.500 -0.210 0.000 2.120 478 R HA -0.087 4.254 4.340 0.000 0.000 0.234 478 R C 2.210 178.389 176.300 -0.201 0.000 1.123 478 R CA 1.079 57.052 56.100 -0.212 0.000 0.975 478 R CB -0.848 29.307 30.300 -0.242 0.000 0.866 478 R HN 0.168 nan 8.270 nan 0.000 0.446 479 L N 0.077 121.174 121.223 -0.209 0.000 2.093 479 L HA -0.185 4.155 4.340 0.000 0.000 0.208 479 L C 2.458 179.267 176.870 -0.100 0.000 1.085 479 L CA 1.297 56.052 54.840 -0.142 0.000 0.755 479 L CB -0.349 41.610 42.059 -0.166 0.000 0.904 479 L HN 0.297 nan 8.230 nan 0.000 0.435 480 Q N 0.002 119.607 119.800 -0.326 0.000 2.124 480 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 480 Q C 2.192 178.117 176.000 -0.124 0.000 0.977 480 Q CA 1.412 57.038 55.803 -0.295 0.000 0.850 480 Q CB -0.000 28.440 28.738 -0.496 0.000 0.901 480 Q HN 0.492 nan 8.270 nan 0.000 0.429 481 K N -0.084 120.236 120.400 -0.132 0.000 2.025 481 K HA -0.100 4.221 4.320 0.000 0.000 0.207 481 K C 2.114 178.700 176.600 -0.024 0.000 1.049 481 K CA 1.274 57.505 56.287 -0.094 0.000 0.933 481 K CB -0.115 32.312 32.500 -0.122 0.000 0.714 481 K HN 0.003 nan 8.250 nan 0.000 0.438 482 V N 1.985 121.918 119.914 0.032 0.000 2.332 482 V HA -0.278 3.842 4.120 0.000 0.000 0.248 482 V C 2.316 178.605 176.094 0.325 0.000 1.055 482 V CA 1.836 64.254 62.300 0.197 0.000 1.038 482 V CB -0.420 31.413 31.823 0.016 0.000 0.651 482 V HN 0.277 nan 8.190 nan 0.000 0.450 483 K N 1.121 121.731 120.400 0.350 0.000 2.057 483 K HA -0.094 4.227 4.320 0.000 0.000 0.207 483 K C 2.036 178.751 176.600 0.192 0.000 1.049 483 K CA 1.786 58.305 56.287 0.387 0.000 0.931 483 K CB -0.666 31.980 32.500 0.243 0.000 0.714 483 K HN 0.389 nan 8.250 nan 0.000 0.440 484 A N 0.536 123.401 122.820 0.076 0.000 1.969 484 A HA -0.087 4.233 4.320 0.000 0.000 0.218 484 A C 2.064 179.625 177.584 -0.039 0.000 1.169 484 A CA 1.378 53.417 52.037 0.004 0.000 0.635 484 A CB -0.339 18.637 19.000 -0.040 0.000 0.810 484 A HN 0.327 nan 8.150 nan 0.000 0.445 485 R N -1.986 118.464 120.500 -0.084 0.000 2.066 485 R HA -0.031 4.309 4.340 0.000 0.000 0.224 485 R C 1.788 177.929 176.300 -0.264 0.000 1.122 485 R CA 1.166 57.088 56.100 -0.296 0.000 0.974 485 R CB -0.175 29.764 30.300 -0.601 0.000 0.871 485 R HN 0.692 nan 8.270 nan 0.000 0.435 486 W N 0.052 121.398 121.300 0.077 0.000 3.114 486 W HA 0.108 4.768 4.660 0.000 0.000 0.279 486 W C 0.139 176.748 176.519 0.149 0.000 1.277 486 W CA 0.037 57.447 57.345 0.108 0.000 1.630 486 W CB 0.421 29.954 29.460 0.122 0.000 1.087 486 W HN -0.013 nan 8.180 nan 0.000 0.637 487 D N -0.506 120.085 120.400 0.319 0.000 2.861 487 D HA 0.181 4.821 4.640 0.000 0.000 0.357 487 D C -1.807 174.555 176.300 0.104 0.000 1.250 487 D CA -1.891 52.247 54.000 0.230 0.000 0.802 487 D CB 0.579 41.545 40.800 0.277 0.000 1.141 487 D HN -0.173 nan 8.370 nan 0.000 0.489 488 P HA -0.048 nan 4.420 nan 0.000 0.220 488 P C 0.974 178.272 177.300 -0.004 0.000 1.148 488 P CA 0.680 63.786 63.100 0.011 0.000 0.803 488 P CB 0.244 31.937 31.700 -0.013 0.000 0.782 489 R N -0.660 119.832 120.500 -0.012 0.000 2.320 489 R HA 0.035 4.375 4.340 0.000 0.000 0.211 489 R C 0.023 176.285 176.300 -0.063 0.000 0.931 489 R CA 0.047 56.124 56.100 -0.039 0.000 1.071 489 R CB -0.817 29.453 30.300 -0.050 0.000 1.025 489 R HN 0.031 nan 8.270 nan 0.000 0.495 490 D N 0.449 120.819 120.400 -0.050 0.000 2.904 490 D HA -0.130 4.510 4.640 0.000 0.000 0.231 490 D C 0.396 176.604 176.300 -0.154 0.000 1.185 490 D CA 0.246 54.205 54.000 -0.069 0.000 0.783 490 D CB -0.605 40.165 40.800 -0.050 0.000 0.961 490 D HN -0.004 nan 8.370 nan 0.000 0.409 491 V N 0.680 120.422 119.914 -0.287 0.000 3.052 491 V HA 0.112 4.232 4.120 0.000 0.000 0.254 491 V C 1.027 176.663 176.094 -0.763 0.000 1.100 491 V CA 0.870 62.818 62.300 -0.586 0.000 1.112 491 V CB -0.195 31.104 31.823 -0.873 0.000 0.738 491 V HN 0.367 nan 8.190 nan 0.000 0.469 492 F N 1.062 120.990 119.950 -0.038 0.000 2.434 492 F HA 0.706 5.233 4.527 0.000 0.000 0.355 492 F C 0.181 175.891 175.800 -0.150 0.000 1.115 492 F CA -0.509 57.453 58.000 -0.063 0.000 1.010 492 F CB 1.088 40.057 39.000 -0.051 0.000 1.234 492 F HN -0.107 nan 8.300 nan 0.000 0.439 493 R N 3.460 123.955 120.500 -0.008 0.000 2.710 493 R HA 0.535 4.875 4.340 0.000 0.000 0.270 493 R C -1.571 174.618 176.300 -0.185 0.000 1.021 493 R CA -0.600 55.380 56.100 -0.200 0.000 0.889 493 R CB 2.142 32.351 30.300 -0.152 0.000 1.243 493 R HN 0.867 nan 8.270 nan 0.000 0.464 494 H N -0.214 118.712 119.070 -0.239 0.000 2.883 494 H HA 0.412 4.968 4.556 0.000 0.000 0.277 494 H C -0.374 174.640 175.328 -0.524 0.000 1.451 494 H CA -0.275 55.541 56.048 -0.386 0.000 1.157 494 H CB 1.365 30.793 29.762 -0.557 0.000 1.851 494 H HN 0.580 nan 8.280 nan 0.000 0.566 495 A N 0.447 123.003 122.820 -0.440 0.000 1.902 495 A HA -0.064 4.256 4.320 0.000 0.000 0.217 495 A C 1.427 178.698 177.584 -0.523 0.000 1.181 495 A CA 1.554 53.376 52.037 -0.358 0.000 0.623 495 A CB -0.418 18.539 19.000 -0.072 0.000 0.818 495 A HN 0.286 nan 8.150 nan 0.000 0.443 496 L N 0.470 121.305 121.223 -0.648 0.000 2.851 496 L HA 0.316 4.656 4.340 0.000 0.000 0.237 496 L C 0.683 177.210 176.870 -0.572 0.000 1.257 496 L CA 0.057 54.513 54.840 -0.640 0.000 1.061 496 L CB -0.892 40.975 42.059 -0.320 0.000 1.372 496 L HN 0.157 nan 8.230 nan 0.000 0.493 497 S N -0.552 114.771 115.700 -0.628 0.000 2.584 497 S HA 0.396 4.866 4.470 0.000 0.000 0.273 497 S C 0.136 174.729 174.600 -0.013 0.000 1.311 497 S CA -0.654 57.205 58.200 -0.569 0.000 1.034 497 S CB 1.223 63.879 63.200 -0.906 0.000 0.939 497 S HN 0.179 nan 8.310 nan 0.000 0.513 498 V N 3.757 123.750 119.914 0.131 0.000 2.673 498 V HA 0.391 4.511 4.120 0.000 0.000 0.303 498 V C 0.181 176.387 176.094 0.187 0.000 1.046 498 V CA -0.134 62.379 62.300 0.356 0.000 1.126 498 V CB -0.134 31.782 31.823 0.155 0.000 0.934 498 V HN 0.784 nan 8.190 nan 0.000 0.487 499 R N 5.097 125.787 120.500 0.316 0.000 2.598 499 R HA 0.549 4.889 4.340 0.000 0.000 0.279 499 R C -2.476 173.854 176.300 0.049 0.000 0.984 499 R CA -2.003 54.197 56.100 0.166 0.000 0.999 499 R CB 1.508 31.952 30.300 0.240 0.000 1.114 499 R HN 0.605 nan 8.270 nan 0.000 0.493 500 P HA 0.111 nan 4.420 nan 0.000 0.272 500 P C -2.446 174.831 177.300 -0.039 0.000 1.223 500 P CA -1.143 61.945 63.100 -0.019 0.000 0.784 500 P CB -0.055 31.641 31.700 -0.007 0.000 0.923 501 P HA 0.000 nan 4.420 nan 0.000 0.216 501 P CA 0.000 63.053 63.100 -0.078 0.000 0.800 501 P CB 0.000 31.634 31.700 -0.109 0.000 0.726