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 3lci_1_C DATA FIRST_RESID 3 DATA SEQUENCE TNLRGVMAAL LTPFDQQQAL DKASLRRLVQ FNIQQGIDGL YVGGSTGEAF DATA SEQUENCE VQSLSEREQV LEIVAEEAKG KIKLIAHVGC VSTAESQQLA ASAKRYGFDA DATA SEQUENCE VSAVTPFYYP FSFEEHCDHY RAIIDSADGL PMVVYNIPAL SGVKLTLDQI DATA SEQUENCE NTLVTLPGVG ALKQTSGDLY QMEQIRREHP DLVLYNGYDE IFASGLLAGA DATA SEQUENCE DGGIGSTYNI MGWRYQGIVK ALKEGDIQTA QKLQTECNKV IDLLIKTGWF DATA SEQUENCE RGLKTVLHYM DVVSVPLCRK PFGPVDEKYL PELKALAQQL MQER 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.719 174.700 0.031 0.000 1.109 3 T CA 0.000 62.116 62.100 0.027 0.000 1.349 3 T CB 0.000 68.885 68.868 0.028 0.000 0.612 4 N N 0.182 118.906 118.700 0.040 0.000 3.387 4 N HA 0.645 5.385 4.740 -0.000 0.000 0.322 4 N C -0.441 175.110 175.510 0.070 0.000 1.588 4 N CA -1.057 52.020 53.050 0.044 0.000 0.778 4 N CB 0.389 38.894 38.487 0.030 0.000 1.883 4 N HN 0.343 nan 8.380 nan 0.000 0.628 5 L N -1.160 120.112 121.223 0.082 0.000 2.693 5 L HA 0.383 4.723 4.340 -0.000 0.000 0.235 5 L C 0.203 177.184 176.870 0.186 0.000 1.127 5 L CA -0.325 54.608 54.840 0.155 0.000 0.914 5 L CB -0.126 42.054 42.059 0.201 0.000 1.193 5 L HN 0.278 nan 8.230 nan 0.000 0.502 6 R N 0.830 121.378 120.500 0.080 0.000 2.643 6 R HA 0.479 4.819 4.340 -0.000 0.000 0.270 6 R C 0.436 176.824 176.300 0.147 0.000 1.061 6 R CA 0.633 56.766 56.100 0.055 0.000 1.107 6 R CB 0.408 30.712 30.300 0.006 0.000 0.999 6 R HN 0.175 nan 8.270 nan 0.000 0.460 7 G N -0.031 108.885 108.800 0.194 0.000 2.346 7 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.294 7 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.294 7 G C -1.591 173.470 174.900 0.269 0.000 1.294 7 G CA -1.036 44.185 45.100 0.201 0.000 0.962 7 G HN 0.394 nan 8.290 nan 0.000 0.508 8 V N 2.068 122.097 119.914 0.191 0.000 2.334 8 V HA 0.572 4.691 4.120 -0.000 0.000 0.267 8 V C 0.156 176.351 176.094 0.168 0.000 1.040 8 V CA -0.318 62.078 62.300 0.160 0.000 0.866 8 V CB 0.963 32.768 31.823 -0.029 0.000 1.019 8 V HN 0.595 nan 8.190 nan 0.000 0.468 9 M N 4.297 124.036 119.600 0.231 0.000 2.227 9 M HA 0.613 5.093 4.480 -0.000 0.000 0.335 9 M C 0.033 176.434 176.300 0.168 0.000 1.053 9 M CA -0.555 54.825 55.300 0.133 0.000 0.973 9 M CB 1.522 34.095 32.600 -0.045 0.000 1.623 9 M HN 0.555 nan 8.290 nan 0.000 0.434 10 A N 2.757 125.684 122.820 0.179 0.000 2.366 10 A HA 0.698 5.018 4.320 -0.000 0.000 0.272 10 A C 0.393 177.961 177.584 -0.026 0.000 1.135 10 A CA -0.523 51.561 52.037 0.079 0.000 0.804 10 A CB 0.245 19.336 19.000 0.151 0.000 1.064 10 A HN 0.938 nan 8.150 nan 0.000 0.499 11 A N 2.896 125.630 122.820 -0.143 0.000 2.376 11 A HA 0.480 4.800 4.320 -0.000 0.000 0.298 11 A C 0.039 177.610 177.584 -0.022 0.000 1.271 11 A CA -0.342 51.673 52.037 -0.037 0.000 0.926 11 A CB -0.468 18.469 19.000 -0.106 0.000 1.141 11 A HN 1.021 nan 8.150 nan 0.000 0.539 12 L N 3.313 124.534 121.223 -0.004 0.000 2.455 12 L HA 0.237 4.577 4.340 -0.000 0.000 0.272 12 L C 0.026 176.839 176.870 -0.093 0.000 1.174 12 L CA 0.528 55.351 54.840 -0.028 0.000 0.869 12 L CB 0.230 42.279 42.059 -0.018 0.000 1.130 12 L HN 0.626 nan 8.230 nan 0.000 0.474 13 L N 3.813 124.979 121.223 -0.095 0.000 2.421 13 L HA 0.381 4.721 4.340 -0.000 0.000 0.263 13 L C 0.318 177.058 176.870 -0.217 0.000 1.122 13 L CA -0.328 54.410 54.840 -0.169 0.000 0.804 13 L CB 1.032 43.024 42.059 -0.111 0.000 1.150 13 L HN 0.550 nan 8.230 nan 0.000 0.457 14 T N 2.561 116.918 114.554 -0.328 0.000 2.821 14 T HA 0.344 4.694 4.350 -0.000 0.000 0.307 14 T C -2.483 171.732 174.700 -0.808 0.000 1.034 14 T CA -1.194 60.610 62.100 -0.494 0.000 0.953 14 T CB 1.206 69.770 68.868 -0.506 0.000 0.968 14 T HN 0.225 nan 8.240 nan 0.000 0.462 15 P HA 0.424 nan 4.420 nan 0.000 0.276 15 P C -0.885 176.069 177.300 -0.576 0.000 1.230 15 P CA -0.363 62.461 63.100 -0.460 0.000 0.776 15 P CB 0.410 31.977 31.700 -0.222 0.000 0.888 16 F N 1.082 121.016 119.950 -0.028 0.000 2.575 16 F HA 0.383 4.909 4.527 -0.000 0.000 0.330 16 F C 0.932 176.719 175.800 -0.022 0.000 1.056 16 F CA -0.588 57.400 58.000 -0.019 0.000 0.964 16 F CB 0.811 39.805 39.000 -0.009 0.000 1.258 16 F HN 0.269 nan 8.300 nan 0.000 0.484 17 D N -0.548 119.970 120.400 0.196 0.000 2.511 17 D HA 0.137 4.777 4.640 -0.000 0.000 0.276 17 D C 0.776 177.122 176.300 0.076 0.000 1.220 17 D CA -0.376 53.680 54.000 0.094 0.000 1.077 17 D CB 0.319 41.158 40.800 0.065 0.000 1.126 17 D HN 0.307 nan 8.370 nan 0.000 0.583 18 Q N -1.105 118.718 119.800 0.039 0.000 2.181 18 Q HA -0.124 4.216 4.340 -0.000 0.000 0.205 18 Q C 1.147 177.158 176.000 0.019 0.000 0.980 18 Q CA 1.228 57.044 55.803 0.023 0.000 0.862 18 Q CB -0.190 28.556 28.738 0.013 0.000 0.905 18 Q HN 0.540 nan 8.270 nan 0.000 0.429 19 Q N 0.244 120.058 119.800 0.024 0.000 2.228 19 Q HA 0.046 4.386 4.340 -0.000 0.000 0.211 19 Q C 0.117 176.111 176.000 -0.009 0.000 0.890 19 Q CA -0.026 55.783 55.803 0.009 0.000 0.953 19 Q CB 0.559 29.305 28.738 0.012 0.000 1.053 19 Q HN 0.308 nan 8.270 nan 0.000 0.471 20 Q N -2.158 117.635 119.800 -0.011 0.000 2.348 20 Q HA -0.211 4.129 4.340 -0.000 0.000 0.221 20 Q C -0.076 175.855 176.000 -0.114 0.000 0.735 20 Q CA 1.214 56.944 55.803 -0.122 0.000 1.351 20 Q CB -1.887 26.745 28.738 -0.177 0.000 1.640 20 Q HN 0.444 nan 8.270 nan 0.000 0.667 21 A N 0.491 123.349 122.820 0.063 0.000 2.282 21 A HA 0.595 4.915 4.320 -0.000 0.000 0.319 21 A C 0.169 177.934 177.584 0.301 0.000 1.121 21 A CA -0.494 51.625 52.037 0.136 0.000 0.836 21 A CB 0.587 19.632 19.000 0.075 0.000 1.146 21 A HN 0.215 nan 8.150 nan 0.000 0.494 22 L N 0.903 122.294 121.223 0.281 0.000 2.578 22 L HA 0.100 4.440 4.340 -0.000 0.000 0.279 22 L C -0.149 176.768 176.870 0.078 0.000 1.227 22 L CA 0.637 55.584 54.840 0.179 0.000 0.900 22 L CB 0.098 42.212 42.059 0.093 0.000 1.144 22 L HN 0.652 nan 8.230 nan 0.000 0.496 23 D N 4.162 124.568 120.400 0.010 0.000 2.493 23 D HA 0.154 4.794 4.640 -0.000 0.000 0.235 23 D C 0.839 177.118 176.300 -0.036 0.000 1.117 23 D CA -0.235 53.762 54.000 -0.005 0.000 0.930 23 D CB 0.564 41.357 40.800 -0.012 0.000 1.010 23 D HN 0.607 nan 8.370 nan 0.000 0.514 24 K N 1.704 122.091 120.400 -0.022 0.000 2.044 24 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 24 K C 1.900 178.483 176.600 -0.029 0.000 1.049 24 K CA 1.538 57.807 56.287 -0.029 0.000 0.927 24 K CB -0.057 32.432 32.500 -0.019 0.000 0.713 24 K HN 0.413 nan 8.250 nan 0.000 0.443 25 A N 1.341 124.148 122.820 -0.021 0.000 1.873 25 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 25 A C 2.307 179.876 177.584 -0.026 0.000 1.193 25 A CA 2.241 54.267 52.037 -0.019 0.000 0.629 25 A CB -0.755 18.238 19.000 -0.012 0.000 0.826 25 A HN 0.229 nan 8.150 nan 0.000 0.447 26 S N -0.756 114.924 115.700 -0.034 0.000 2.402 26 S HA -0.096 4.374 4.470 -0.000 0.000 0.229 26 S C 1.833 176.401 174.600 -0.054 0.000 1.021 26 S CA 1.234 59.406 58.200 -0.046 0.000 0.974 26 S CB -0.400 62.768 63.200 -0.054 0.000 0.800 26 S HN 0.493 nan 8.310 nan 0.000 0.484 27 L N 2.370 123.553 121.223 -0.065 0.000 1.994 27 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 27 L C 2.210 179.060 176.870 -0.034 0.000 1.071 27 L CA 1.771 56.570 54.840 -0.068 0.000 0.745 27 L CB -0.555 41.456 42.059 -0.080 0.000 0.892 27 L HN 0.116 nan 8.230 nan 0.000 0.431 28 R N -0.758 119.726 120.500 -0.027 0.000 2.091 28 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 28 R C 2.390 178.694 176.300 0.007 0.000 1.136 28 R CA 1.665 57.758 56.100 -0.013 0.000 0.959 28 R CB -0.418 29.873 30.300 -0.015 0.000 0.856 28 R HN 0.420 nan 8.270 nan 0.000 0.437 29 R N 0.430 120.932 120.500 0.003 0.000 2.081 29 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 29 R C 2.323 178.662 176.300 0.066 0.000 1.131 29 R CA 1.126 57.238 56.100 0.020 0.000 0.960 29 R CB -0.453 29.837 30.300 -0.016 0.000 0.856 29 R HN 0.113 nan 8.270 nan 0.000 0.436 30 L N 0.790 122.040 121.223 0.044 0.000 2.083 30 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 30 L C 2.052 179.013 176.870 0.151 0.000 1.083 30 L CA 1.511 56.415 54.840 0.108 0.000 0.752 30 L CB -0.320 41.765 42.059 0.043 0.000 0.899 30 L HN -0.100 nan 8.230 nan 0.000 0.433 31 V N -0.441 119.520 119.914 0.079 0.000 2.261 31 V HA -0.297 3.822 4.120 -0.000 0.000 0.246 31 V C 2.673 178.813 176.094 0.077 0.000 1.047 31 V CA 1.838 64.174 62.300 0.060 0.000 1.015 31 V CB -0.742 31.093 31.823 0.020 0.000 0.642 31 V HN 0.503 nan 8.190 nan 0.000 0.446 32 Q N -1.054 118.796 119.800 0.082 0.000 2.124 32 Q HA -0.176 4.163 4.340 -0.000 0.000 0.202 32 Q C 2.073 178.153 176.000 0.132 0.000 0.977 32 Q CA 1.616 57.468 55.803 0.082 0.000 0.850 32 Q CB -0.613 28.167 28.738 0.070 0.000 0.901 32 Q HN 0.666 nan 8.270 nan 0.000 0.429 33 F N 2.287 122.251 119.950 0.022 0.000 2.134 33 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 33 F C 1.785 177.623 175.800 0.064 0.000 1.097 33 F CA 1.141 59.165 58.000 0.041 0.000 1.264 33 F CB -0.219 38.808 39.000 0.045 0.000 1.001 33 F HN 0.088 nan 8.300 nan 0.000 0.479 34 N N 0.789 119.515 118.700 0.044 0.000 2.142 34 N HA -0.148 4.591 4.740 -0.000 0.000 0.186 34 N C 2.147 177.626 175.510 -0.050 0.000 1.023 34 N CA 1.746 54.773 53.050 -0.038 0.000 0.852 34 N CB -0.331 38.190 38.487 0.057 0.000 0.998 34 N HN 0.355 nan 8.380 nan 0.000 0.424 35 I N 1.553 122.115 120.570 -0.013 0.000 2.226 35 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 35 I C 2.038 178.133 176.117 -0.036 0.000 1.100 35 I CA 0.982 62.274 61.300 -0.014 0.000 1.374 35 I CB -0.173 37.826 38.000 -0.000 0.000 1.057 35 I HN 0.078 nan 8.210 nan 0.000 0.413 36 Q N 0.453 120.217 119.800 -0.060 0.000 2.291 36 Q HA -0.186 4.154 4.340 -0.000 0.000 0.205 36 Q C 1.950 177.881 176.000 -0.115 0.000 0.970 36 Q CA 1.175 56.932 55.803 -0.077 0.000 0.876 36 Q CB -0.308 28.392 28.738 -0.063 0.000 0.935 36 Q HN 0.632 nan 8.270 nan 0.000 0.455 37 Q N -0.822 118.889 119.800 -0.148 0.000 2.435 37 Q HA 0.072 4.412 4.340 -0.000 0.000 0.207 37 Q C 0.598 176.603 176.000 0.009 0.000 0.956 37 Q CA 0.603 56.364 55.803 -0.070 0.000 0.917 37 Q CB 0.347 29.061 28.738 -0.040 0.000 0.997 37 Q HN 0.538 nan 8.270 nan 0.000 0.497 38 G N 1.392 110.186 108.800 -0.011 0.000 2.131 38 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.223 38 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.223 38 G C -0.003 174.909 174.900 0.021 0.000 0.990 38 G CA -0.155 44.950 45.100 0.010 0.000 0.671 38 G HN 0.292 nan 8.290 nan 0.000 0.521 39 I N 0.803 121.383 120.570 0.017 0.000 2.892 39 I HA 0.259 4.429 4.170 -0.000 0.000 0.287 39 I C 1.130 177.269 176.117 0.036 0.000 1.205 39 I CA 0.138 61.454 61.300 0.028 0.000 1.409 39 I CB 0.611 38.635 38.000 0.040 0.000 1.367 39 I HN 0.138 nan 8.210 nan 0.000 0.597 40 D N 4.463 124.895 120.400 0.053 0.000 2.348 40 D HA 0.231 4.870 4.640 -0.000 0.000 0.211 40 D C 0.508 176.845 176.300 0.061 0.000 0.998 40 D CA 0.894 54.930 54.000 0.061 0.000 0.873 40 D CB 0.437 41.287 40.800 0.084 0.000 0.925 40 D HN 0.679 nan 8.370 nan 0.000 0.524 41 G N -0.416 108.422 108.800 0.063 0.000 2.320 41 G HA2 0.462 4.422 3.960 -0.000 0.000 0.296 41 G HA3 0.462 4.422 3.960 -0.000 0.000 0.296 41 G C -2.057 172.882 174.900 0.064 0.000 1.306 41 G CA -0.835 44.298 45.100 0.056 0.000 0.836 41 G HN 0.030 nan 8.290 nan 0.000 0.517 42 L N -0.138 121.125 121.223 0.066 0.000 2.431 42 L HA 0.492 4.832 4.340 -0.000 0.000 0.266 42 L C -1.501 175.447 176.870 0.131 0.000 0.978 42 L CA -0.939 53.952 54.840 0.084 0.000 0.822 42 L CB 2.688 44.784 42.059 0.062 0.000 1.310 42 L HN 0.633 nan 8.230 nan 0.000 0.409 43 Y N 3.336 123.608 120.300 -0.047 0.000 2.385 43 Y HA 0.566 5.116 4.550 -0.000 0.000 0.341 43 Y C -0.645 175.233 175.900 -0.036 0.000 0.965 43 Y CA -0.627 57.429 58.100 -0.074 0.000 1.180 43 Y CB 1.068 39.411 38.460 -0.194 0.000 1.139 43 Y HN 0.196 nan 8.280 nan 0.000 0.502 44 V N 4.820 124.612 119.914 -0.204 0.000 2.513 44 V HA 0.635 4.755 4.120 -0.000 0.000 0.299 44 V C 0.646 176.579 176.094 -0.268 0.000 1.035 44 V CA -0.336 61.874 62.300 -0.148 0.000 0.889 44 V CB 1.180 33.031 31.823 0.046 0.000 0.988 44 V HN 0.991 nan 8.190 nan 0.000 0.440 45 G N 2.918 111.594 108.800 -0.208 0.000 2.132 45 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.228 45 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.228 45 G C 0.398 175.170 174.900 -0.214 0.000 1.000 45 G CA 0.083 45.072 45.100 -0.186 0.000 0.693 45 G HN 1.346 nan 8.290 nan 0.000 0.515 46 G N -0.643 107.972 108.800 -0.310 0.000 2.606 46 G HA2 0.603 4.563 3.960 -0.000 0.000 0.262 46 G HA3 0.603 4.563 3.960 -0.000 0.000 0.262 46 G C 1.287 175.974 174.900 -0.355 0.000 1.394 46 G CA 0.934 45.782 45.100 -0.420 0.000 1.044 46 G HN 0.605 nan 8.290 nan 0.000 0.553 47 S N -0.518 115.095 115.700 -0.144 0.000 2.359 47 S HA -0.176 4.294 4.470 -0.000 0.000 0.223 47 S C 2.543 177.025 174.600 -0.196 0.000 1.039 47 S CA 2.113 60.323 58.200 0.015 0.000 1.042 47 S CB -0.664 62.681 63.200 0.241 0.000 0.915 47 S HN 0.622 nan 8.310 nan 0.000 0.439 48 T N 1.274 115.680 114.554 -0.246 0.000 2.822 48 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 48 T C 1.656 175.945 174.700 -0.685 0.000 1.064 48 T CA 1.321 63.036 62.100 -0.641 0.000 1.131 48 T CB -0.515 68.234 68.868 -0.199 0.000 0.858 48 T HN 0.561 nan 8.240 nan 0.000 0.483 49 G N 0.297 108.859 108.800 -0.397 0.000 3.233 49 G HA2 0.197 4.157 3.960 -0.000 0.000 0.227 49 G HA3 0.197 4.157 3.960 -0.000 0.000 0.227 49 G C 0.171 174.933 174.900 -0.230 0.000 1.175 49 G CA -0.266 44.652 45.100 -0.304 0.000 0.781 49 G HN 0.569 nan 8.290 nan 0.000 0.542 50 E N -1.335 118.713 120.200 -0.254 0.000 2.539 50 E HA -0.326 4.024 4.350 -0.000 0.000 0.253 50 E C 1.762 178.355 176.600 -0.011 0.000 1.145 50 E CA 0.099 56.493 56.400 -0.010 0.000 0.738 50 E CB -1.435 28.377 29.700 0.188 0.000 1.308 50 E HN 0.537 nan 8.360 nan 0.000 0.409 51 A N -0.064 122.620 122.820 -0.227 0.000 1.978 51 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 51 A C 1.430 178.879 177.584 -0.224 0.000 1.170 51 A CA 1.423 53.284 52.037 -0.294 0.000 0.636 51 A CB -0.399 18.297 19.000 -0.508 0.000 0.810 51 A HN 0.293 nan 8.150 nan 0.000 0.448 52 F N -0.656 119.379 119.950 0.143 0.000 2.816 52 F HA 0.148 4.674 4.527 -0.000 0.000 0.302 52 F C 1.285 177.158 175.800 0.120 0.000 1.178 52 F CA 0.532 58.627 58.000 0.158 0.000 1.421 52 F CB -0.021 39.082 39.000 0.172 0.000 1.114 52 F HN 0.146 nan 8.300 nan 0.000 0.573 53 V N -3.188 116.853 119.914 0.210 0.000 3.070 53 V HA 0.392 4.512 4.120 -0.000 0.000 0.355 53 V C -0.215 175.933 176.094 0.090 0.000 1.400 53 V CA -0.360 62.024 62.300 0.140 0.000 1.170 53 V CB -0.610 31.295 31.823 0.136 0.000 1.169 53 V HN 0.120 nan 8.190 nan 0.000 0.554 54 Q N 1.076 120.934 119.800 0.097 0.000 2.433 54 Q HA 0.699 5.039 4.340 -0.000 0.000 0.279 54 Q C -0.153 175.889 176.000 0.069 0.000 1.105 54 Q CA -0.333 55.517 55.803 0.079 0.000 0.815 54 Q CB 2.759 31.549 28.738 0.087 0.000 1.403 54 Q HN 0.653 nan 8.270 nan 0.000 0.435 55 S N 0.216 115.949 115.700 0.055 0.000 2.669 55 S HA 0.329 4.799 4.470 -0.000 0.000 0.270 55 S C 1.166 175.792 174.600 0.043 0.000 1.225 55 S CA -0.666 57.562 58.200 0.048 0.000 0.991 55 S CB 0.485 63.707 63.200 0.036 0.000 0.987 55 S HN 0.671 nan 8.310 nan 0.000 0.552 56 L N 0.954 122.199 121.223 0.038 0.000 2.012 56 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 56 L C 3.078 179.965 176.870 0.027 0.000 1.073 56 L CA 1.749 56.605 54.840 0.027 0.000 0.748 56 L CB -0.952 41.118 42.059 0.019 0.000 0.891 56 L HN 0.908 nan 8.230 nan 0.000 0.431 57 S N -0.345 115.373 115.700 0.030 0.000 2.370 57 S HA -0.220 4.250 4.470 -0.000 0.000 0.226 57 S C 1.836 176.460 174.600 0.040 0.000 1.033 57 S CA 1.597 59.818 58.200 0.036 0.000 1.011 57 S CB -0.133 63.086 63.200 0.032 0.000 0.852 57 S HN 0.442 nan 8.310 nan 0.000 0.457 58 E N 0.213 120.438 120.200 0.041 0.000 2.106 58 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 58 E C 2.485 179.107 176.600 0.036 0.000 0.984 58 E CA 0.848 57.277 56.400 0.048 0.000 0.806 58 E CB -0.090 29.651 29.700 0.069 0.000 0.750 58 E HN 0.478 nan 8.360 nan 0.000 0.458 59 R N 0.869 121.385 120.500 0.025 0.000 2.075 59 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 59 R C 2.206 178.512 176.300 0.011 0.000 1.126 59 R CA 1.236 57.336 56.100 0.000 0.000 0.963 59 R CB -0.124 30.166 30.300 -0.016 0.000 0.858 59 R HN 0.231 nan 8.270 nan 0.000 0.435 60 E N 0.705 120.932 120.200 0.046 0.000 2.077 60 E HA -0.268 4.081 4.350 -0.000 0.000 0.193 60 E C 2.083 178.733 176.600 0.084 0.000 0.989 60 E CA 1.039 57.517 56.400 0.130 0.000 0.800 60 E CB -0.087 29.710 29.700 0.162 0.000 0.746 60 E HN 0.361 nan 8.360 nan 0.000 0.452 61 Q N 1.019 120.838 119.800 0.031 0.000 2.096 61 Q HA -0.180 4.159 4.340 -0.000 0.000 0.204 61 Q C 2.260 178.229 176.000 -0.053 0.000 0.982 61 Q CA 1.507 57.297 55.803 -0.023 0.000 0.850 61 Q CB 0.088 28.826 28.738 -0.000 0.000 0.901 61 Q HN 0.136 nan 8.270 nan 0.000 0.422 62 V N 1.072 120.970 119.914 -0.026 0.000 2.295 62 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 62 V C 2.381 178.470 176.094 -0.009 0.000 1.049 62 V CA 1.599 63.879 62.300 -0.032 0.000 1.024 62 V CB -0.538 31.262 31.823 -0.038 0.000 0.648 62 V HN 0.406 nan 8.190 nan 0.000 0.447 63 L N -0.148 121.083 121.223 0.013 0.000 2.042 63 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 63 L C 2.593 179.529 176.870 0.110 0.000 1.076 63 L CA 2.205 57.122 54.840 0.129 0.000 0.749 63 L CB -0.578 41.516 42.059 0.059 0.000 0.893 63 L HN 0.456 nan 8.230 nan 0.000 0.432 64 E N 0.801 120.799 120.200 -0.337 0.000 2.047 64 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 64 E C 2.324 178.752 176.600 -0.287 0.000 0.987 64 E CA 1.116 57.089 56.400 -0.713 0.000 0.799 64 E CB -0.009 29.095 29.700 -0.994 0.000 0.752 64 E HN 0.436 nan 8.360 nan 0.000 0.449 65 I N 0.593 121.060 120.570 -0.172 0.000 2.226 65 I HA -0.246 3.923 4.170 -0.000 0.000 0.245 65 I C 2.331 178.404 176.117 -0.072 0.000 1.100 65 I CA 0.690 61.928 61.300 -0.104 0.000 1.374 65 I CB -0.163 37.793 38.000 -0.073 0.000 1.057 65 I HN 0.099 nan 8.210 nan 0.000 0.413 66 V N 1.122 121.015 119.914 -0.035 0.000 2.343 66 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 66 V C 2.755 178.787 176.094 -0.103 0.000 1.051 66 V CA 1.910 64.193 62.300 -0.028 0.000 1.036 66 V CB -1.038 30.815 31.823 0.051 0.000 0.654 66 V HN 0.485 nan 8.190 nan 0.000 0.451 67 A N -0.128 122.610 122.820 -0.137 0.000 1.883 67 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 67 A C 2.167 179.666 177.584 -0.141 0.000 1.186 67 A CA 1.990 53.884 52.037 -0.238 0.000 0.624 67 A CB -0.544 18.362 19.000 -0.157 0.000 0.822 67 A HN 0.621 nan 8.150 nan 0.000 0.444 68 E N -0.475 119.662 120.200 -0.105 0.000 2.160 68 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 68 E C 1.831 178.392 176.600 -0.063 0.000 0.991 68 E CA 1.256 57.611 56.400 -0.076 0.000 0.810 68 E CB -0.076 29.581 29.700 -0.072 0.000 0.742 68 E HN 0.604 nan 8.360 nan 0.000 0.466 69 E N -0.595 119.565 120.200 -0.066 0.000 2.190 69 E HA 0.015 4.365 4.350 -0.000 0.000 0.191 69 E C 1.404 177.973 176.600 -0.052 0.000 0.978 69 E CA 0.755 57.127 56.400 -0.048 0.000 0.839 69 E CB 0.527 30.206 29.700 -0.035 0.000 0.787 69 E HN 0.209 nan 8.360 nan 0.000 0.473 70 A N 0.694 123.465 122.820 -0.081 0.000 2.312 70 A HA 0.092 4.412 4.320 -0.000 0.000 0.215 70 A C 1.031 178.551 177.584 -0.108 0.000 1.256 70 A CA -0.317 51.670 52.037 -0.083 0.000 0.966 70 A CB 0.211 19.163 19.000 -0.081 0.000 1.053 70 A HN -0.037 nan 8.150 nan 0.000 0.510 71 K N 0.752 121.066 120.400 -0.143 0.000 2.491 71 K HA 0.229 4.549 4.320 -0.000 0.000 0.279 71 K C 1.084 177.635 176.600 -0.081 0.000 1.026 71 K CA 1.156 57.357 56.287 -0.142 0.000 1.070 71 K CB -0.266 32.152 32.500 -0.137 0.000 0.887 71 K HN 0.961 nan 8.250 nan 0.000 0.481 72 G N 3.563 112.323 108.800 -0.067 0.000 2.143 72 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.249 72 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.249 72 G C 0.438 175.320 174.900 -0.030 0.000 0.981 72 G CA 0.684 45.761 45.100 -0.039 0.000 0.665 72 G HN 0.736 nan 8.290 nan 0.000 0.528 73 K N -0.787 119.591 120.400 -0.036 0.000 2.443 73 K HA 0.483 4.803 4.320 -0.000 0.000 0.200 73 K C 1.080 177.670 176.600 -0.017 0.000 1.278 73 K CA 1.040 57.313 56.287 -0.024 0.000 0.925 73 K CB 0.812 33.296 32.500 -0.027 0.000 1.225 73 K HN 0.704 nan 8.250 nan 0.000 0.514 74 I N -2.073 118.482 120.570 -0.025 0.000 3.263 74 I HA 0.439 4.608 4.170 -0.000 0.000 0.314 74 I C -1.370 174.736 176.117 -0.019 0.000 1.269 74 I CA -1.472 59.822 61.300 -0.010 0.000 0.942 74 I CB 1.552 39.550 38.000 -0.003 0.000 1.305 74 I HN -0.349 nan 8.210 nan 0.000 0.474 75 K N 2.316 122.722 120.400 0.010 0.000 2.237 75 K HA 0.592 4.912 4.320 -0.000 0.000 0.270 75 K C -0.955 175.648 176.600 0.004 0.000 1.015 75 K CA -0.223 56.075 56.287 0.019 0.000 0.949 75 K CB 1.024 33.563 32.500 0.065 0.000 0.976 75 K HN 0.545 nan 8.250 nan 0.000 0.472 76 L N 4.058 125.277 121.223 -0.008 0.000 2.404 76 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 76 L C -0.384 176.652 176.870 0.278 0.000 0.980 76 L CA -0.539 54.301 54.840 -0.000 0.000 0.836 76 L CB 1.285 43.056 42.059 -0.480 0.000 1.238 76 L HN 0.401 nan 8.230 nan 0.000 0.408 77 I N 2.732 123.492 120.570 0.316 0.000 2.404 77 I HA 0.568 4.738 4.170 -0.000 0.000 0.293 77 I C 0.140 176.314 176.117 0.095 0.000 0.992 77 I CA -0.526 60.926 61.300 0.253 0.000 1.149 77 I CB 2.120 40.241 38.000 0.202 0.000 1.315 77 I HN 0.613 nan 8.210 nan 0.000 0.446 78 A N 5.653 128.401 122.820 -0.119 0.000 2.256 78 A HA 0.300 4.619 4.320 -0.000 0.000 0.317 78 A C -0.457 176.905 177.584 -0.370 0.000 1.318 78 A CA -0.443 51.311 52.037 -0.472 0.000 0.894 78 A CB 0.114 18.535 19.000 -0.965 0.000 1.165 78 A HN 0.793 nan 8.150 nan 0.000 0.525 79 H N 3.528 122.284 119.070 -0.522 0.000 2.878 79 H HA 0.273 4.828 4.556 -0.000 0.000 0.290 79 H C 0.380 175.581 175.328 -0.211 0.000 1.065 79 H CA 0.919 56.751 56.048 -0.360 0.000 1.477 79 H CB 1.308 30.799 29.762 -0.451 0.000 1.484 79 H HN 0.582 nan 8.280 nan 0.000 0.504 80 V N 2.604 122.177 119.914 -0.569 0.000 3.380 80 V HA 0.416 4.535 4.120 -0.000 0.000 0.307 80 V C 1.011 176.911 176.094 -0.324 0.000 1.434 80 V CA 0.079 62.166 62.300 -0.354 0.000 1.075 80 V CB 0.069 31.742 31.823 -0.249 0.000 0.954 80 V HN 0.695 nan 8.190 nan 0.000 0.444 81 G N -0.106 108.313 108.800 -0.635 0.000 2.398 81 G HA2 0.425 4.384 3.960 -0.000 0.000 0.246 81 G HA3 0.425 4.384 3.960 -0.000 0.000 0.246 81 G C -0.325 174.764 174.900 0.315 0.000 1.289 81 G CA 0.487 45.538 45.100 -0.083 0.000 0.869 81 G HN 0.554 nan 8.290 nan 0.000 0.543 82 C N 0.633 120.085 119.300 0.252 0.000 3.318 82 C HA 0.381 4.840 4.460 -0.000 0.000 0.329 82 C C 1.660 176.651 174.990 0.001 0.000 1.449 82 C CA -0.511 58.646 59.018 0.233 0.000 1.397 82 C CB 1.433 29.253 27.740 0.133 0.000 1.810 82 C HN 0.535 nan 8.230 nan 0.000 0.449 83 V N 1.040 120.834 119.914 -0.200 0.000 2.453 83 V HA -0.054 4.065 4.120 -0.000 0.000 0.247 83 V C 1.303 177.301 176.094 -0.160 0.000 1.048 83 V CA 1.864 63.958 62.300 -0.343 0.000 1.049 83 V CB -0.358 31.250 31.823 -0.358 0.000 0.672 83 V HN 0.865 nan 8.190 nan 0.000 0.457 84 S N -0.225 115.444 115.700 -0.052 0.000 2.548 84 S HA 0.051 4.520 4.470 -0.000 0.000 0.277 84 S C 1.347 175.967 174.600 0.032 0.000 1.315 84 S CA 0.145 58.331 58.200 -0.022 0.000 1.050 84 S CB 1.300 64.494 63.200 -0.011 0.000 0.918 84 S HN 0.464 nan 8.310 nan 0.000 0.497 85 T N 5.158 119.722 114.554 0.016 0.000 2.737 85 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 85 T C 2.164 176.803 174.700 -0.102 0.000 1.038 85 T CA 1.426 63.503 62.100 -0.038 0.000 1.144 85 T CB -0.668 68.159 68.868 -0.069 0.000 0.866 85 T HN 0.808 nan 8.240 nan 0.000 0.434 86 A N 1.755 124.532 122.820 -0.072 0.000 1.940 86 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 86 A C 2.192 179.740 177.584 -0.060 0.000 1.176 86 A CA 1.656 53.652 52.037 -0.068 0.000 0.631 86 A CB -0.530 18.439 19.000 -0.052 0.000 0.814 86 A HN 0.594 nan 8.150 nan 0.000 0.446 87 E N -0.232 119.945 120.200 -0.040 0.000 2.107 87 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 87 E C 2.244 178.817 176.600 -0.044 0.000 0.982 87 E CA 1.103 57.486 56.400 -0.027 0.000 0.809 87 E CB -0.144 29.557 29.700 0.002 0.000 0.756 87 E HN 0.586 nan 8.360 nan 0.000 0.459 88 S N 1.294 116.958 115.700 -0.059 0.000 2.368 88 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 88 S C 1.956 176.474 174.600 -0.137 0.000 1.030 88 S CA 1.022 59.161 58.200 -0.102 0.000 0.999 88 S CB -0.145 62.963 63.200 -0.154 0.000 0.844 88 S HN 0.265 nan 8.310 nan 0.000 0.459 89 Q N 0.871 120.587 119.800 -0.140 0.000 2.084 89 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 89 Q C 2.402 178.337 176.000 -0.109 0.000 0.978 89 Q CA 1.272 56.997 55.803 -0.131 0.000 0.844 89 Q CB -0.210 28.455 28.738 -0.120 0.000 0.898 89 Q HN 0.598 nan 8.270 nan 0.000 0.426 90 Q N 0.786 120.532 119.800 -0.091 0.000 2.061 90 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 90 Q C 1.997 177.936 176.000 -0.100 0.000 0.984 90 Q CA 1.252 57.005 55.803 -0.082 0.000 0.846 90 Q CB -0.062 28.641 28.738 -0.057 0.000 0.902 90 Q HN 0.403 nan 8.270 nan 0.000 0.421 91 L N 0.004 121.165 121.223 -0.103 0.000 2.141 91 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 91 L C 2.565 179.334 176.870 -0.167 0.000 1.094 91 L CA 0.717 55.482 54.840 -0.125 0.000 0.763 91 L CB -0.565 41.422 42.059 -0.120 0.000 0.908 91 L HN 0.301 nan 8.230 nan 0.000 0.437 92 A N 0.330 123.057 122.820 -0.155 0.000 1.877 92 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 92 A C 2.557 180.052 177.584 -0.148 0.000 1.186 92 A CA 1.729 53.675 52.037 -0.151 0.000 0.620 92 A CB -0.728 18.195 19.000 -0.128 0.000 0.822 92 A HN 0.375 nan 8.150 nan 0.000 0.443 93 A N -0.665 122.072 122.820 -0.139 0.000 1.940 93 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 93 A C 2.426 179.885 177.584 -0.209 0.000 1.176 93 A CA 2.138 54.091 52.037 -0.140 0.000 0.631 93 A CB -0.776 18.154 19.000 -0.117 0.000 0.814 93 A HN 0.453 nan 8.150 nan 0.000 0.446 94 S N -0.364 115.180 115.700 -0.260 0.000 2.371 94 S HA 0.044 4.514 4.470 -0.000 0.000 0.224 94 S C 2.308 176.562 174.600 -0.577 0.000 1.029 94 S CA 0.977 58.893 58.200 -0.473 0.000 0.978 94 S CB -0.397 62.597 63.200 -0.344 0.000 0.833 94 S HN 0.793 nan 8.310 nan 0.000 0.466 95 A N 1.852 124.483 122.820 -0.315 0.000 1.933 95 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 95 A C 1.987 179.556 177.584 -0.025 0.000 1.175 95 A CA 2.036 53.946 52.037 -0.212 0.000 0.628 95 A CB -0.511 18.300 19.000 -0.314 0.000 0.814 95 A HN 0.375 nan 8.150 nan 0.000 0.444 96 K N 0.333 120.681 120.400 -0.087 0.000 2.057 96 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 96 K C 2.142 178.719 176.600 -0.038 0.000 1.049 96 K CA 1.825 58.094 56.287 -0.029 0.000 0.931 96 K CB -0.417 32.050 32.500 -0.055 0.000 0.714 96 K HN 0.426 nan 8.250 nan 0.000 0.440 97 R N -0.889 119.512 120.500 -0.165 0.000 2.091 97 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 97 R C 1.303 177.587 176.300 -0.028 0.000 1.136 97 R CA 1.695 57.686 56.100 -0.181 0.000 0.959 97 R CB -0.305 29.766 30.300 -0.383 0.000 0.856 97 R HN 0.279 nan 8.270 nan 0.000 0.437 98 Y N -0.455 119.917 120.300 0.119 0.000 2.529 98 Y HA 0.270 4.820 4.550 -0.000 0.000 0.290 98 Y C 1.327 177.303 175.900 0.126 0.000 1.177 98 Y CA 0.308 58.499 58.100 0.151 0.000 1.305 98 Y CB -0.053 38.564 38.460 0.262 0.000 1.047 98 Y HN 0.382 nan 8.280 nan 0.000 0.522 99 G N -0.332 108.611 108.800 0.239 0.000 2.212 99 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.255 99 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.255 99 G C -0.178 174.780 174.900 0.096 0.000 1.062 99 G CA -0.502 44.676 45.100 0.129 0.000 0.815 99 G HN 0.167 nan 8.290 nan 0.000 0.497 100 F N 0.408 120.390 119.950 0.053 0.000 2.410 100 F HA 0.345 4.872 4.527 -0.000 0.000 0.334 100 F C 1.663 177.480 175.800 0.028 0.000 1.134 100 F CA -0.054 57.970 58.000 0.040 0.000 1.227 100 F CB 0.669 39.689 39.000 0.033 0.000 1.194 100 F HN 0.058 nan 8.300 nan 0.000 0.571 101 D N 1.005 121.506 120.400 0.169 0.000 2.234 101 D HA 0.157 4.797 4.640 -0.000 0.000 0.205 101 D C 0.333 176.717 176.300 0.140 0.000 0.962 101 D CA 0.964 55.036 54.000 0.119 0.000 0.855 101 D CB 0.285 41.135 40.800 0.085 0.000 0.951 101 D HN 0.409 nan 8.370 nan 0.000 0.500 102 A N -0.111 122.821 122.820 0.187 0.000 2.586 102 A HA 0.535 4.855 4.320 -0.000 0.000 0.290 102 A C -0.935 176.715 177.584 0.109 0.000 1.086 102 A CA -0.647 51.473 52.037 0.138 0.000 0.665 102 A CB 1.220 20.305 19.000 0.142 0.000 1.279 102 A HN -0.037 nan 8.150 nan 0.000 0.423 103 V N -1.967 117.982 119.914 0.059 0.000 3.113 103 V HA 1.013 5.133 4.120 -0.000 0.000 0.316 103 V C -0.095 176.028 176.094 0.049 0.000 1.125 103 V CA -0.161 62.133 62.300 -0.009 0.000 1.026 103 V CB 1.499 33.293 31.823 -0.049 0.000 1.080 103 V HN 1.878 nan 8.190 nan 0.000 0.444 104 S N 0.139 115.846 115.700 0.012 0.000 2.547 104 S HA 0.886 5.356 4.470 -0.000 0.000 0.270 104 S C -1.027 173.614 174.600 0.067 0.000 1.150 104 S CA 0.076 58.366 58.200 0.149 0.000 0.850 104 S CB 1.636 65.013 63.200 0.296 0.000 1.118 104 S HN 2.385 nan 8.310 nan 0.000 0.461 105 A N 2.164 125.171 122.820 0.313 0.000 2.488 105 A HA 0.691 5.011 4.320 -0.000 0.000 0.295 105 A C -0.588 177.375 177.584 0.632 0.000 1.045 105 A CA -0.490 51.697 52.037 0.250 0.000 0.703 105 A CB 1.305 20.356 19.000 0.085 0.000 1.271 105 A HN 1.313 nan 8.150 nan 0.000 0.400 106 V N 2.736 123.137 119.914 0.812 0.000 2.811 106 V HA 0.502 4.622 4.120 -0.000 0.000 0.302 106 V C 0.971 177.303 176.094 0.396 0.000 1.063 106 V CA 0.646 63.293 62.300 0.578 0.000 1.088 106 V CB 1.275 33.376 31.823 0.463 0.000 0.982 106 V HN 1.382 nan 8.190 nan 0.000 0.485 107 T N 6.392 121.134 114.554 0.314 0.000 2.871 107 T HA 0.185 4.535 4.350 -0.000 0.000 0.296 107 T C -2.279 172.588 174.700 0.279 0.000 0.998 107 T CA -0.879 61.392 62.100 0.284 0.000 1.162 107 T CB 0.441 69.420 68.868 0.185 0.000 0.947 107 T HN 0.777 nan 8.240 nan 0.000 0.536 108 P HA 0.085 nan 4.420 nan 0.000 0.262 108 P C -0.396 177.050 177.300 0.245 0.000 1.182 108 P CA -0.141 62.890 63.100 -0.116 0.000 0.761 108 P CB 0.131 31.427 31.700 -0.673 0.000 0.795 109 F N 1.883 121.937 119.950 0.173 0.000 2.629 109 F HA 0.516 5.043 4.527 -0.000 0.000 0.386 109 F C 1.684 177.564 175.800 0.133 0.000 1.135 109 F CA -1.299 56.776 58.000 0.125 0.000 1.116 109 F CB -0.488 38.501 39.000 -0.019 0.000 1.426 109 F HN 0.437 nan 8.300 nan 0.000 0.501 110 Y N -1.290 119.096 120.300 0.145 0.000 2.750 110 Y HA -0.385 4.164 4.550 -0.000 0.000 0.477 110 Y C -0.326 175.403 175.900 -0.285 0.000 1.138 110 Y CA 1.497 59.519 58.100 -0.131 0.000 2.829 110 Y CB -1.728 36.541 38.460 -0.318 0.000 1.073 110 Y HN 0.524 nan 8.280 nan 0.000 0.590 111 Y N 3.643 123.873 120.300 -0.117 0.000 2.336 111 Y HA 0.386 4.936 4.550 -0.000 0.000 0.331 111 Y C -1.986 173.419 175.900 -0.827 0.000 1.211 111 Y CA -2.094 55.699 58.100 -0.512 0.000 1.346 111 Y CB -0.141 37.884 38.460 -0.726 0.000 1.271 111 Y HN -0.023 nan 8.280 nan 0.000 0.538 112 P HA 0.178 nan 4.420 nan 0.000 0.287 112 P C -1.262 175.797 177.300 -0.401 0.000 1.307 112 P CA 0.004 62.927 63.100 -0.295 0.000 0.777 112 P CB 0.208 31.823 31.700 -0.141 0.000 0.883 113 F N 0.635 120.607 119.950 0.037 0.000 2.508 113 F HA 0.403 4.930 4.527 -0.000 0.000 0.325 113 F C 1.158 176.981 175.800 0.039 0.000 1.090 113 F CA -0.745 57.203 58.000 -0.087 0.000 0.945 113 F CB 1.236 39.984 39.000 -0.420 0.000 1.156 113 F HN 0.173 nan 8.300 nan 0.000 0.463 114 S N 1.959 117.798 115.700 0.232 0.000 2.593 114 S HA 0.096 4.566 4.470 -0.000 0.000 0.269 114 S C 0.915 175.733 174.600 0.362 0.000 1.334 114 S CA -0.449 57.900 58.200 0.248 0.000 1.015 114 S CB 0.331 63.628 63.200 0.162 0.000 0.912 114 S HN 0.604 nan 8.310 nan 0.000 0.541 115 F N 1.299 121.395 119.950 0.244 0.000 2.161 115 F HA -0.072 4.455 4.527 -0.000 0.000 0.300 115 F C 2.351 178.281 175.800 0.217 0.000 1.089 115 F CA 2.024 60.182 58.000 0.263 0.000 1.282 115 F CB -0.555 38.534 39.000 0.149 0.000 1.010 115 F HN 0.955 nan 8.300 nan 0.000 0.485 116 E N 0.147 120.377 120.200 0.051 0.000 2.077 116 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 116 E C 1.989 178.532 176.600 -0.095 0.000 0.989 116 E CA 1.693 58.047 56.400 -0.076 0.000 0.800 116 E CB -0.258 29.456 29.700 0.023 0.000 0.746 116 E HN 0.623 nan 8.360 nan 0.000 0.452 117 E N -0.483 119.687 120.200 -0.050 0.000 2.150 117 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 117 E C 2.181 178.661 176.600 -0.200 0.000 0.985 117 E CA 0.816 57.138 56.400 -0.131 0.000 0.814 117 E CB -0.125 29.496 29.700 -0.133 0.000 0.752 117 E HN 0.442 nan 8.360 nan 0.000 0.466 118 H N 0.048 119.055 119.070 -0.105 0.000 2.326 118 H HA -0.079 4.477 4.556 -0.000 0.000 0.301 118 H C 2.392 177.715 175.328 -0.008 0.000 1.081 118 H CA 1.206 57.211 56.048 -0.072 0.000 1.334 118 H CB -0.333 29.460 29.762 0.052 0.000 1.385 118 H HN 0.269 nan 8.280 nan 0.000 0.504 119 C N 0.935 120.189 119.300 -0.077 0.000 2.413 119 C HA -0.121 4.338 4.460 -0.000 0.000 0.276 119 C C 2.436 177.438 174.990 0.020 0.000 1.236 119 C CA 0.852 59.827 59.018 -0.071 0.000 1.735 119 C CB -0.596 26.961 27.740 -0.305 0.000 2.031 119 C HN 0.549 nan 8.230 nan 0.000 0.474 120 D N -0.787 119.589 120.400 -0.040 0.000 2.178 120 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 120 D C 1.750 178.027 176.300 -0.039 0.000 0.980 120 D CA 1.347 55.323 54.000 -0.039 0.000 0.842 120 D CB -0.571 40.192 40.800 -0.062 0.000 0.948 120 D HN 0.669 nan 8.370 nan 0.000 0.472 121 H N -0.589 118.380 119.070 -0.168 0.000 2.321 121 H HA -0.151 4.405 4.556 -0.000 0.000 0.300 121 H C 1.652 176.856 175.328 -0.206 0.000 1.087 121 H CA 1.664 57.558 56.048 -0.257 0.000 1.319 121 H CB -0.295 29.225 29.762 -0.404 0.000 1.379 121 H HN 0.114 nan 8.280 nan 0.000 0.501 122 Y N 0.531 120.814 120.300 -0.028 0.000 2.224 122 Y HA -0.104 4.446 4.550 -0.000 0.000 0.289 122 Y C 2.733 178.577 175.900 -0.093 0.000 1.146 122 Y CA 1.403 59.466 58.100 -0.061 0.000 1.182 122 Y CB -0.159 38.312 38.460 0.019 0.000 0.983 122 Y HN 0.158 nan 8.280 nan 0.000 0.524 123 R N -0.406 120.134 120.500 0.066 0.000 2.073 123 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 123 R C 2.526 178.800 176.300 -0.043 0.000 1.134 123 R CA 1.196 57.302 56.100 0.010 0.000 0.952 123 R CB -0.692 29.605 30.300 -0.005 0.000 0.850 123 R HN 0.320 nan 8.270 nan 0.000 0.433 124 A N 1.363 124.126 122.820 -0.095 0.000 1.877 124 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 124 A C 2.180 179.677 177.584 -0.145 0.000 1.186 124 A CA 1.326 53.287 52.037 -0.126 0.000 0.620 124 A CB -0.531 18.371 19.000 -0.164 0.000 0.822 124 A HN 0.188 nan 8.150 nan 0.000 0.443 125 I N -0.480 119.967 120.570 -0.204 0.000 2.226 125 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 125 I C 2.313 178.375 176.117 -0.091 0.000 1.100 125 I CA 1.280 62.471 61.300 -0.183 0.000 1.374 125 I CB -0.347 37.510 38.000 -0.239 0.000 1.057 125 I HN 0.301 nan 8.210 nan 0.000 0.413 126 I N 0.609 121.153 120.570 -0.044 0.000 2.208 126 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 126 I C 2.433 178.533 176.117 -0.029 0.000 1.097 126 I CA 1.505 62.797 61.300 -0.013 0.000 1.363 126 I CB -0.494 37.515 38.000 0.015 0.000 1.051 126 I HN 0.361 nan 8.210 nan 0.000 0.413 127 D N 0.873 121.249 120.400 -0.040 0.000 2.103 127 D HA -0.192 4.448 4.640 -0.000 0.000 0.190 127 D C 2.152 178.423 176.300 -0.048 0.000 0.997 127 D CA 2.016 55.992 54.000 -0.041 0.000 0.833 127 D CB -0.007 40.764 40.800 -0.047 0.000 0.961 127 D HN 0.185 nan 8.370 nan 0.000 0.447 128 S N -0.006 115.655 115.700 -0.066 0.000 2.442 128 S HA -0.067 4.403 4.470 -0.000 0.000 0.236 128 S C 1.990 176.549 174.600 -0.069 0.000 1.007 128 S CA 0.890 59.047 58.200 -0.072 0.000 0.965 128 S CB -0.238 62.907 63.200 -0.092 0.000 0.773 128 S HN 0.490 nan 8.310 nan 0.000 0.504 129 A N 1.142 123.926 122.820 -0.059 0.000 2.121 129 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 129 A C 0.939 178.503 177.584 -0.033 0.000 1.154 129 A CA 0.993 53.001 52.037 -0.048 0.000 0.679 129 A CB -0.493 18.489 19.000 -0.030 0.000 0.795 129 A HN 0.424 nan 8.150 nan 0.000 0.458 130 D N -3.180 117.201 120.400 -0.031 0.000 2.697 130 D HA -0.089 4.551 4.640 -0.000 0.000 0.238 130 D C 0.945 177.240 176.300 -0.010 0.000 1.152 130 D CA 1.885 55.872 54.000 -0.023 0.000 0.666 130 D CB -1.381 39.402 40.800 -0.029 0.000 1.037 130 D HN 1.310 nan 8.370 nan 0.000 0.423 131 G N -1.176 107.622 108.800 -0.004 0.000 2.313 131 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.215 131 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.215 131 G C 0.485 175.394 174.900 0.015 0.000 1.023 131 G CA -0.068 45.035 45.100 0.006 0.000 0.626 131 G HN 0.555 nan 8.290 nan 0.000 0.503 132 L N 3.735 124.969 121.223 0.018 0.000 2.490 132 L HA 0.307 4.647 4.340 -0.000 0.000 0.274 132 L C -1.176 175.716 176.870 0.036 0.000 1.201 132 L CA -1.387 53.474 54.840 0.035 0.000 0.869 132 L CB 0.242 42.326 42.059 0.042 0.000 1.123 132 L HN 0.158 nan 8.230 nan 0.000 0.484 133 P HA 0.069 nan 4.420 nan 0.000 0.271 133 P C -0.751 176.587 177.300 0.062 0.000 1.218 133 P CA -0.560 62.569 63.100 0.049 0.000 0.780 133 P CB 1.137 32.869 31.700 0.055 0.000 0.901 134 M N 3.398 123.032 119.600 0.057 0.000 2.264 134 M HA 0.277 4.757 4.480 -0.000 0.000 0.352 134 M C -1.356 174.997 176.300 0.089 0.000 1.173 134 M CA -0.495 54.852 55.300 0.079 0.000 1.075 134 M CB 0.886 33.534 32.600 0.081 0.000 1.621 134 M HN 0.008 nan 8.290 nan 0.000 0.457 135 V N 6.602 126.602 119.914 0.143 0.000 2.294 135 V HA 0.314 4.434 4.120 -0.000 0.000 0.272 135 V C -0.324 175.880 176.094 0.184 0.000 1.027 135 V CA -0.844 61.559 62.300 0.173 0.000 0.823 135 V CB 0.739 32.711 31.823 0.248 0.000 1.030 135 V HN 0.757 nan 8.190 nan 0.000 0.457 136 V N 5.166 125.121 119.914 0.068 0.000 2.763 136 V HA 0.024 4.144 4.120 -0.000 0.000 0.306 136 V C -0.175 176.070 176.094 0.252 0.000 1.059 136 V CA 0.095 62.408 62.300 0.022 0.000 1.138 136 V CB 0.373 32.072 31.823 -0.207 0.000 0.940 136 V HN 0.700 nan 8.190 nan 0.000 0.489 137 Y N 5.485 125.927 120.300 0.237 0.000 2.388 137 Y HA 0.350 4.900 4.550 -0.000 0.000 0.328 137 Y C 0.081 176.093 175.900 0.186 0.000 0.963 137 Y CA -1.779 56.459 58.100 0.230 0.000 1.240 137 Y CB 1.062 39.734 38.460 0.354 0.000 1.118 137 Y HN 0.768 nan 8.280 nan 0.000 0.484 138 N N 7.134 126.056 118.700 0.369 0.000 2.457 138 N HA 0.367 5.107 4.740 -0.000 0.000 0.250 138 N C -1.160 174.370 175.510 0.034 0.000 0.982 138 N CA -0.107 53.023 53.050 0.133 0.000 0.941 138 N CB 0.556 39.103 38.487 0.100 0.000 1.120 138 N HN 0.776 nan 8.380 nan 0.000 0.505 139 I N 6.690 127.190 120.570 -0.117 0.000 2.901 139 I HA 0.291 4.461 4.170 -0.000 0.000 0.289 139 I C -1.899 174.155 176.117 -0.106 0.000 1.553 139 I CA -1.974 59.230 61.300 -0.161 0.000 0.829 139 I CB 1.250 39.023 38.000 -0.379 0.000 1.840 139 I HN 0.451 nan 8.210 nan 0.000 0.606 140 P HA -0.286 nan 4.420 nan 0.000 0.216 140 P C 1.509 178.796 177.300 -0.021 0.000 1.157 140 P CA 2.328 65.418 63.100 -0.017 0.000 0.880 140 P CB 0.184 31.889 31.700 0.009 0.000 0.791 141 A N 0.223 123.047 122.820 0.007 0.000 1.896 141 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 141 A C 2.523 180.081 177.584 -0.043 0.000 1.206 141 A CA 2.378 54.420 52.037 0.007 0.000 0.647 141 A CB -1.589 17.456 19.000 0.074 0.000 0.828 141 A HN 0.206 nan 8.150 nan 0.000 0.455 142 L N -0.563 120.611 121.223 -0.082 0.000 2.202 142 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 142 L C 2.942 179.690 176.870 -0.203 0.000 1.083 142 L CA 1.242 55.996 54.840 -0.144 0.000 0.790 142 L CB -0.459 41.503 42.059 -0.163 0.000 0.942 142 L HN 0.604 nan 8.230 nan 0.000 0.452 143 S N -0.339 115.258 115.700 -0.171 0.000 2.406 143 S HA 0.003 4.472 4.470 -0.000 0.000 0.228 143 S C 1.750 176.339 174.600 -0.017 0.000 1.020 143 S CA 0.839 58.977 58.200 -0.103 0.000 0.965 143 S CB 0.034 63.219 63.200 -0.026 0.000 0.798 143 S HN 0.530 nan 8.310 nan 0.000 0.488 144 G N 0.195 108.976 108.800 -0.031 0.000 2.176 144 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 144 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 144 G C 0.077 174.983 174.900 0.010 0.000 0.979 144 G CA 0.121 45.210 45.100 -0.017 0.000 0.641 144 G HN 0.793 nan 8.290 nan 0.000 0.530 145 V N 1.338 121.270 119.914 0.031 0.000 2.432 145 V HA 0.446 4.566 4.120 -0.000 0.000 0.271 145 V C 0.409 176.507 176.094 0.007 0.000 1.046 145 V CA -0.066 62.258 62.300 0.039 0.000 0.945 145 V CB 1.377 33.227 31.823 0.045 0.000 0.992 145 V HN 0.326 nan 8.190 nan 0.000 0.471 146 K N 6.346 126.750 120.400 0.006 0.000 2.367 146 K HA 0.611 4.930 4.320 -0.000 0.000 0.263 146 K C -1.019 175.568 176.600 -0.021 0.000 1.000 146 K CA -0.338 55.946 56.287 -0.006 0.000 0.891 146 K CB 1.410 33.907 32.500 -0.004 0.000 1.117 146 K HN 0.509 nan 8.250 nan 0.000 0.443 147 L N 2.294 123.497 121.223 -0.032 0.000 2.343 147 L HA 0.383 4.723 4.340 -0.000 0.000 0.275 147 L C 0.887 177.707 176.870 -0.084 0.000 1.056 147 L CA -0.742 54.057 54.840 -0.068 0.000 0.804 147 L CB 1.517 43.548 42.059 -0.045 0.000 1.203 147 L HN 0.687 nan 8.230 nan 0.000 0.440 148 T N -1.270 113.202 114.554 -0.137 0.000 2.881 148 T HA 0.215 4.565 4.350 -0.000 0.000 0.278 148 T C 0.831 175.459 174.700 -0.120 0.000 0.982 148 T CA -0.742 61.286 62.100 -0.119 0.000 0.989 148 T CB 1.290 70.078 68.868 -0.134 0.000 1.058 148 T HN 0.450 nan 8.240 nan 0.000 0.529 149 L N 0.602 121.765 121.223 -0.099 0.000 2.083 149 L HA -0.010 4.330 4.340 -0.000 0.000 0.209 149 L C 1.967 178.793 176.870 -0.074 0.000 1.083 149 L CA 1.927 56.717 54.840 -0.084 0.000 0.752 149 L CB -1.096 40.903 42.059 -0.099 0.000 0.899 149 L HN 0.712 nan 8.230 nan 0.000 0.433 150 D N -0.725 119.616 120.400 -0.098 0.000 2.117 150 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 150 D C 2.153 178.373 176.300 -0.133 0.000 0.987 150 D CA 1.446 55.392 54.000 -0.091 0.000 0.829 150 D CB -0.096 40.646 40.800 -0.097 0.000 0.961 150 D HN 0.555 nan 8.370 nan 0.000 0.460 151 Q N 0.030 119.650 119.800 -0.301 0.000 2.119 151 Q HA -0.039 4.301 4.340 -0.000 0.000 0.201 151 Q C 2.482 178.415 176.000 -0.111 0.000 0.972 151 Q CA 0.604 56.052 55.803 -0.592 0.000 0.847 151 Q CB 0.090 28.168 28.738 -1.100 0.000 0.903 151 Q HN 0.344 nan 8.270 nan 0.000 0.433 152 I N 1.195 121.727 120.570 -0.063 0.000 2.252 152 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 152 I C 1.773 177.918 176.117 0.047 0.000 1.102 152 I CA 0.718 62.028 61.300 0.017 0.000 1.385 152 I CB -0.301 37.697 38.000 -0.003 0.000 1.064 152 I HN 0.249 nan 8.210 nan 0.000 0.414 153 N N 0.394 119.141 118.700 0.079 0.000 2.166 153 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 153 N C 1.834 177.422 175.510 0.130 0.000 1.019 153 N CA 1.747 54.902 53.050 0.174 0.000 0.856 153 N CB -0.586 38.002 38.487 0.168 0.000 0.993 153 N HN 0.311 nan 8.380 nan 0.000 0.426 154 T N 2.228 116.870 114.554 0.147 0.000 2.708 154 T HA 0.002 4.351 4.350 -0.000 0.000 0.266 154 T C 2.182 176.973 174.700 0.152 0.000 1.037 154 T CA 0.631 62.850 62.100 0.198 0.000 1.146 154 T CB -0.216 68.879 68.868 0.378 0.000 0.865 154 T HN 0.129 nan 8.240 nan 0.000 0.435 155 L N 1.380 122.706 121.223 0.171 0.000 1.994 155 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 155 L C 2.757 179.571 176.870 -0.093 0.000 1.071 155 L CA 1.257 56.105 54.840 0.013 0.000 0.745 155 L CB -0.913 41.138 42.059 -0.013 0.000 0.892 155 L HN 0.257 nan 8.230 nan 0.000 0.431 156 V N -3.437 116.408 119.914 -0.115 0.000 3.078 156 V HA -0.112 4.008 4.120 -0.000 0.000 0.265 156 V C 1.939 177.942 176.094 -0.153 0.000 1.122 156 V CA 1.708 63.892 62.300 -0.193 0.000 1.141 156 V CB -1.278 30.329 31.823 -0.360 0.000 0.735 156 V HN 0.616 nan 8.190 nan 0.000 0.498 157 T N -2.418 112.096 114.554 -0.067 0.000 3.069 157 T HA 0.403 4.753 4.350 -0.000 0.000 0.252 157 T C 0.506 175.206 174.700 -0.001 0.000 1.053 157 T CA -0.296 61.798 62.100 -0.010 0.000 0.964 157 T CB -0.348 68.555 68.868 0.059 0.000 1.005 157 T HN 0.399 nan 8.240 nan 0.000 0.532 158 L N 2.199 123.412 121.223 -0.017 0.000 2.485 158 L HA 0.278 4.618 4.340 -0.000 0.000 0.275 158 L C -2.145 174.720 176.870 -0.008 0.000 1.207 158 L CA -2.066 52.768 54.840 -0.009 0.000 0.855 158 L CB 0.127 42.172 42.059 -0.024 0.000 1.114 158 L HN -0.019 nan 8.230 nan 0.000 0.485 159 P HA 0.052 nan 4.420 nan 0.000 0.262 159 P C 0.599 177.900 177.300 0.002 0.000 1.199 159 P CA 0.735 63.837 63.100 0.003 0.000 0.763 159 P CB 0.669 32.372 31.700 0.004 0.000 0.790 160 G N 1.563 110.363 108.800 0.002 0.000 2.195 160 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.224 160 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.224 160 G C 0.054 174.957 174.900 0.005 0.000 0.990 160 G CA -0.323 44.780 45.100 0.006 0.000 0.639 160 G HN 0.514 nan 8.290 nan 0.000 0.514 161 V N 1.079 120.986 119.914 -0.012 0.000 2.498 161 V HA 0.615 4.735 4.120 -0.000 0.000 0.279 161 V C 1.406 177.488 176.094 -0.020 0.000 1.048 161 V CA 0.969 63.254 62.300 -0.024 0.000 0.967 161 V CB 1.491 33.270 31.823 -0.073 0.000 0.988 161 V HN 0.688 nan 8.190 nan 0.000 0.473 162 G N 2.728 111.529 108.800 0.001 0.000 3.274 162 G HA2 0.659 4.618 3.960 -0.000 0.000 0.250 162 G HA3 0.659 4.618 3.960 -0.000 0.000 0.250 162 G C 0.106 175.002 174.900 -0.007 0.000 1.024 162 G CA 0.707 45.808 45.100 0.003 0.000 0.840 162 G HN 1.080 nan 8.290 nan 0.000 0.522 163 A N -0.624 122.194 122.820 -0.003 0.000 2.566 163 A HA 0.700 5.020 4.320 -0.000 0.000 0.290 163 A C -2.449 175.137 177.584 0.003 0.000 1.071 163 A CA -0.589 51.436 52.037 -0.019 0.000 0.658 163 A CB 1.259 20.306 19.000 0.079 0.000 1.285 163 A HN 0.798 nan 8.150 nan 0.000 0.427 164 L N 0.249 121.462 121.223 -0.015 0.000 2.438 164 L HA 0.667 5.007 4.340 -0.000 0.000 0.270 164 L C -0.458 176.484 176.870 0.120 0.000 0.972 164 L CA -0.248 54.611 54.840 0.031 0.000 0.831 164 L CB 1.755 43.792 42.059 -0.036 0.000 1.273 164 L HN 0.692 nan 8.230 nan 0.000 0.405 165 K N 3.539 124.031 120.400 0.154 0.000 2.263 165 K HA 0.303 4.623 4.320 -0.000 0.000 0.282 165 K C -0.580 176.085 176.600 0.109 0.000 1.089 165 K CA -0.436 55.910 56.287 0.097 0.000 0.907 165 K CB 0.726 33.097 32.500 -0.215 0.000 1.148 165 K HN 0.669 nan 8.250 nan 0.000 0.470 166 Q N 3.071 122.914 119.800 0.072 0.000 2.566 166 Q HA 0.113 4.453 4.340 -0.000 0.000 0.221 166 Q C -1.104 174.894 176.000 -0.004 0.000 1.195 166 Q CA 0.038 55.871 55.803 0.050 0.000 0.967 166 Q CB 0.630 29.391 28.738 0.038 0.000 1.337 166 Q HN 0.424 nan 8.270 nan 0.000 0.553 167 T N 2.173 116.709 114.554 -0.031 0.000 3.579 167 T HA 0.380 4.730 4.350 -0.000 0.000 0.328 167 T C -0.800 173.769 174.700 -0.218 0.000 1.481 167 T CA -0.175 61.750 62.100 -0.291 0.000 1.144 167 T CB -0.144 68.563 68.868 -0.269 0.000 1.205 167 T HN 0.398 nan 8.240 nan 0.000 0.812 168 S N 0.572 116.283 115.700 0.018 0.000 2.536 168 S HA 0.597 5.067 4.470 -0.000 0.000 0.271 168 S C 1.035 175.857 174.600 0.370 0.000 1.134 168 S CA -0.534 57.825 58.200 0.265 0.000 0.897 168 S CB 1.478 64.755 63.200 0.129 0.000 1.094 168 S HN 0.465 nan 8.310 nan 0.000 0.473 169 G N 1.400 110.393 108.800 0.321 0.000 2.985 169 G HA2 0.109 4.069 3.960 -0.000 0.000 0.209 169 G HA3 0.109 4.069 3.960 -0.000 0.000 0.209 169 G C 0.115 175.084 174.900 0.115 0.000 1.165 169 G CA -0.088 45.114 45.100 0.170 0.000 0.776 169 G HN 0.686 nan 8.290 nan 0.000 0.541 170 D N 1.138 121.607 120.400 0.115 0.000 2.402 170 D HA 0.128 4.768 4.640 -0.000 0.000 0.235 170 D C 1.440 177.802 176.300 0.102 0.000 1.226 170 D CA -0.300 53.760 54.000 0.099 0.000 0.918 170 D CB 0.399 41.247 40.800 0.080 0.000 1.043 170 D HN 0.078 nan 8.370 nan 0.000 0.506 171 L N 3.522 124.811 121.223 0.111 0.000 2.610 171 L HA -0.092 4.248 4.340 -0.000 0.000 0.232 171 L C 1.515 178.477 176.870 0.154 0.000 1.149 171 L CA 0.170 55.073 54.840 0.106 0.000 0.872 171 L CB -0.330 41.779 42.059 0.084 0.000 0.992 171 L HN 0.446 nan 8.230 nan 0.000 0.447 172 Y N 1.104 121.415 120.300 0.019 0.000 2.231 172 Y HA -0.181 4.369 4.550 0.000 0.000 0.294 172 Y C 2.554 178.462 175.900 0.013 0.000 1.120 172 Y CA 1.382 59.489 58.100 0.012 0.000 1.141 172 Y CB -0.339 38.126 38.460 0.009 0.000 1.022 172 Y HN 0.166 nan 8.280 nan 0.000 0.523 173 Q N -0.427 119.315 119.800 -0.097 0.000 2.167 173 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 173 Q C 2.223 178.176 176.000 -0.077 0.000 0.970 173 Q CA 1.795 57.482 55.803 -0.193 0.000 0.855 173 Q CB -0.161 28.510 28.738 -0.112 0.000 0.911 173 Q HN 0.527 nan 8.270 nan 0.000 0.438 174 M N 0.808 120.407 119.600 -0.003 0.000 2.086 174 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 174 M C 1.911 178.216 176.300 0.009 0.000 1.067 174 M CA 1.740 57.047 55.300 0.013 0.000 1.116 174 M CB -0.255 32.365 32.600 0.033 0.000 1.348 174 M HN 0.183 nan 8.290 nan 0.000 0.407 175 E N -0.153 120.064 120.200 0.029 0.000 2.077 175 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 175 E C 1.917 178.520 176.600 0.006 0.000 0.989 175 E CA 1.637 58.060 56.400 0.038 0.000 0.800 175 E CB -0.240 29.519 29.700 0.097 0.000 0.746 175 E HN 0.733 nan 8.360 nan 0.000 0.452 176 Q N 0.030 119.800 119.800 -0.051 0.000 2.124 176 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 176 Q C 2.446 178.414 176.000 -0.053 0.000 0.977 176 Q CA 1.418 57.165 55.803 -0.094 0.000 0.850 176 Q CB -0.067 28.529 28.738 -0.237 0.000 0.901 176 Q HN 0.373 nan 8.270 nan 0.000 0.429 177 I N 0.289 120.849 120.570 -0.016 0.000 2.202 177 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 177 I C 2.531 178.706 176.117 0.097 0.000 1.091 177 I CA 0.956 62.302 61.300 0.078 0.000 1.368 177 I CB -0.204 37.835 38.000 0.064 0.000 1.058 177 I HN 0.113 nan 8.210 nan 0.000 0.410 178 R N 1.697 122.220 120.500 0.038 0.000 2.083 178 R HA -0.213 4.127 4.340 -0.000 0.000 0.237 178 R C 2.286 178.589 176.300 0.005 0.000 1.137 178 R CA 1.817 57.933 56.100 0.027 0.000 0.951 178 R CB -0.644 29.660 30.300 0.006 0.000 0.851 178 R HN 0.196 nan 8.270 nan 0.000 0.434 179 R N 0.027 120.517 120.500 -0.017 0.000 2.083 179 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 179 R C 2.043 178.286 176.300 -0.095 0.000 1.137 179 R CA 2.080 58.157 56.100 -0.040 0.000 0.951 179 R CB -0.410 29.871 30.300 -0.030 0.000 0.851 179 R HN 0.325 nan 8.270 nan 0.000 0.434 180 E N -0.329 119.768 120.200 -0.172 0.000 2.208 180 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 180 E C -0.354 175.887 176.600 -0.598 0.000 0.988 180 E CA 1.030 57.193 56.400 -0.395 0.000 0.828 180 E CB 0.275 29.661 29.700 -0.524 0.000 0.763 180 E HN 0.485 nan 8.360 nan 0.000 0.478 181 H N -0.406 118.649 119.070 -0.024 0.000 2.448 181 H HA 0.165 4.720 4.556 -0.000 0.000 0.237 181 H C -2.000 173.311 175.328 -0.027 0.000 1.391 181 H CA -1.573 54.460 56.048 -0.025 0.000 1.477 181 H CB 1.239 30.983 29.762 -0.029 0.000 1.520 181 H HN 0.157 nan 8.280 nan 0.000 0.502 182 P HA -0.142 nan 4.420 nan 0.000 0.219 182 P C 0.541 177.853 177.300 0.020 0.000 1.146 182 P CA 1.126 64.238 63.100 0.021 0.000 0.808 182 P CB 0.599 32.301 31.700 0.003 0.000 0.779 183 D N -0.891 119.528 120.400 0.031 0.000 2.349 183 D HA 0.080 4.720 4.640 -0.000 0.000 0.214 183 D C 0.812 177.109 176.300 -0.005 0.000 1.063 183 D CA -0.241 53.766 54.000 0.011 0.000 0.847 183 D CB -0.036 40.772 40.800 0.013 0.000 0.933 183 D HN 0.157 nan 8.370 nan 0.000 0.513 184 L N 1.643 122.868 121.223 0.003 0.000 2.453 184 L HA 0.048 4.388 4.340 -0.000 0.000 0.272 184 L C -0.223 176.586 176.870 -0.103 0.000 1.182 184 L CA -0.090 54.720 54.840 -0.050 0.000 0.858 184 L CB 1.039 43.064 42.059 -0.057 0.000 1.120 184 L HN -0.293 nan 8.230 nan 0.000 0.474 185 V N 6.784 126.605 119.914 -0.154 0.000 2.439 185 V HA 0.140 4.260 4.120 -0.000 0.000 0.271 185 V C -0.014 175.845 176.094 -0.390 0.000 1.040 185 V CA -0.189 61.942 62.300 -0.282 0.000 1.002 185 V CB 0.774 32.415 31.823 -0.304 0.000 1.000 185 V HN 0.575 nan 8.190 nan 0.000 0.477 186 L N 7.794 128.787 121.223 -0.384 0.000 2.345 186 L HA 0.525 4.865 4.340 -0.000 0.000 0.274 186 L C -0.942 175.764 176.870 -0.274 0.000 0.999 186 L CA -0.283 54.387 54.840 -0.283 0.000 0.849 186 L CB 1.048 43.030 42.059 -0.129 0.000 1.220 186 L HN 0.505 nan 8.230 nan 0.000 0.422 187 Y N 2.973 123.258 120.300 -0.025 0.000 2.365 187 Y HA 0.312 4.862 4.550 -0.000 0.000 0.340 187 Y C 0.791 176.677 175.900 -0.024 0.000 1.016 187 Y CA -0.406 57.679 58.100 -0.024 0.000 1.196 187 Y CB 0.519 38.929 38.460 -0.083 0.000 1.167 187 Y HN 0.645 nan 8.280 nan 0.000 0.509 188 N N 1.439 120.240 118.700 0.169 0.000 2.483 188 N HA 0.156 4.895 4.740 -0.000 0.000 0.264 188 N C 1.014 176.587 175.510 0.105 0.000 1.197 188 N CA 0.513 53.637 53.050 0.124 0.000 0.927 188 N CB 0.855 39.420 38.487 0.130 0.000 1.065 188 N HN 0.880 nan 8.380 nan 0.000 0.461 189 G N 1.995 110.798 108.800 0.005 0.000 2.719 189 G HA2 -0.020 3.939 3.960 -0.000 0.000 0.211 189 G HA3 -0.020 3.939 3.960 -0.000 0.000 0.211 189 G C -0.483 174.281 174.900 -0.226 0.000 1.140 189 G CA 0.195 45.198 45.100 -0.162 0.000 0.790 189 G HN 0.533 nan 8.290 nan 0.000 0.529 190 Y N 1.848 122.193 120.300 0.075 0.000 2.369 190 Y HA 0.312 4.862 4.550 -0.000 0.000 0.337 190 Y C 0.624 176.632 175.900 0.180 0.000 0.961 190 Y CA -1.761 56.388 58.100 0.082 0.000 1.186 190 Y CB 1.503 40.008 38.460 0.075 0.000 1.139 190 Y HN -0.012 nan 8.280 nan 0.000 0.494 191 D N 0.901 121.508 120.400 0.345 0.000 2.158 191 D HA -0.221 4.419 4.640 -0.000 0.000 0.197 191 D C 1.751 178.332 176.300 0.469 0.000 0.995 191 D CA 1.565 55.796 54.000 0.384 0.000 0.846 191 D CB 0.062 41.066 40.800 0.341 0.000 0.941 191 D HN 0.697 nan 8.370 nan 0.000 0.456 192 E N 1.142 121.578 120.200 0.393 0.000 2.463 192 E HA -0.145 4.205 4.350 -0.000 0.000 0.201 192 E C 1.652 178.403 176.600 0.250 0.000 1.045 192 E CA 0.563 57.139 56.400 0.294 0.000 0.872 192 E CB -0.457 29.380 29.700 0.227 0.000 0.797 192 E HN 0.572 nan 8.360 nan 0.000 0.538 193 I N -4.565 116.182 120.570 0.295 0.000 3.994 193 I HA 0.289 4.459 4.170 -0.000 0.000 0.323 193 I C 1.286 177.562 176.117 0.266 0.000 1.501 193 I CA -0.769 60.669 61.300 0.230 0.000 1.112 193 I CB -0.260 37.843 38.000 0.172 0.000 1.254 193 I HN -0.238 nan 8.210 nan 0.000 0.495 194 F N 3.226 123.308 119.950 0.220 0.000 2.032 194 F HA -0.348 4.179 4.527 -0.000 0.000 0.297 194 F C 2.535 178.430 175.800 0.159 0.000 1.125 194 F CA 2.816 60.950 58.000 0.224 0.000 1.202 194 F CB -0.303 38.917 39.000 0.366 0.000 0.958 194 F HN 0.233 nan 8.300 nan 0.000 0.491 195 A N -0.525 122.419 122.820 0.206 0.000 1.873 195 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 195 A C 2.359 179.922 177.584 -0.034 0.000 1.193 195 A CA 2.551 54.616 52.037 0.046 0.000 0.629 195 A CB -1.500 17.575 19.000 0.125 0.000 0.826 195 A HN 0.496 nan 8.150 nan 0.000 0.447 196 S N -0.676 115.039 115.700 0.025 0.000 2.399 196 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 196 S C 2.000 176.594 174.600 -0.011 0.000 1.022 196 S CA 1.078 59.288 58.200 0.016 0.000 0.983 196 S CB -0.576 62.652 63.200 0.047 0.000 0.803 196 S HN 0.813 nan 8.310 nan 0.000 0.480 197 G N 1.411 110.193 108.800 -0.029 0.000 2.408 197 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.217 197 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.217 197 G C 1.315 176.148 174.900 -0.112 0.000 1.150 197 G CA 0.385 45.459 45.100 -0.044 0.000 0.776 197 G HN 0.423 nan 8.290 nan 0.000 0.542 198 L N -0.400 120.689 121.223 -0.224 0.000 2.056 198 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 198 L C 2.682 179.488 176.870 -0.106 0.000 1.078 198 L CA 0.504 55.213 54.840 -0.218 0.000 0.749 198 L CB -0.404 41.463 42.059 -0.320 0.000 0.901 198 L HN 0.220 nan 8.230 nan 0.000 0.433 199 L N 0.283 121.460 121.223 -0.076 0.000 2.131 199 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 199 L C 2.495 179.354 176.870 -0.018 0.000 1.092 199 L CA 1.907 56.726 54.840 -0.035 0.000 0.759 199 L CB -0.598 41.451 42.059 -0.017 0.000 0.903 199 L HN 0.143 nan 8.230 nan 0.000 0.435 200 A N -1.757 121.055 122.820 -0.014 0.000 2.119 200 A HA 0.367 4.687 4.320 -0.000 0.000 0.216 200 A C 1.867 179.452 177.584 0.002 0.000 1.152 200 A CA 1.085 53.128 52.037 0.009 0.000 0.708 200 A CB -0.445 18.571 19.000 0.027 0.000 0.805 200 A HN 0.665 nan 8.150 nan 0.000 0.460 201 G N -2.688 106.100 108.800 -0.020 0.000 3.246 201 G HA2 0.302 4.262 3.960 -0.000 0.000 0.218 201 G HA3 0.302 4.262 3.960 -0.000 0.000 0.218 201 G C 0.427 175.303 174.900 -0.040 0.000 0.978 201 G CA 0.039 45.126 45.100 -0.021 0.000 0.825 201 G HN 1.221 nan 8.290 nan 0.000 0.546 202 A N 1.279 124.066 122.820 -0.054 0.000 2.498 202 A HA 0.489 4.809 4.320 -0.000 0.000 0.239 202 A C 0.836 178.368 177.584 -0.086 0.000 1.068 202 A CA 1.095 53.090 52.037 -0.071 0.000 0.766 202 A CB 0.217 19.173 19.000 -0.073 0.000 1.003 202 A HN 0.703 nan 8.150 nan 0.000 0.497 203 D N 0.339 120.689 120.400 -0.083 0.000 2.559 203 D HA 0.457 5.097 4.640 -0.000 0.000 0.234 203 D C 0.376 176.665 176.300 -0.018 0.000 1.226 203 D CA 0.495 54.459 54.000 -0.060 0.000 0.830 203 D CB -0.078 40.684 40.800 -0.063 0.000 1.028 203 D HN 0.965 nan 8.370 nan 0.000 0.492 204 G N -1.763 107.048 108.800 0.018 0.000 2.367 204 G HA2 0.549 4.508 3.960 -0.000 0.000 0.272 204 G HA3 0.549 4.508 3.960 -0.000 0.000 0.272 204 G C -0.898 174.200 174.900 0.330 0.000 1.271 204 G CA -0.279 44.937 45.100 0.192 0.000 0.893 204 G HN 0.736 nan 8.290 nan 0.000 0.485 205 G N -1.345 107.769 108.800 0.525 0.000 2.489 205 G HA2 0.616 4.576 3.960 -0.000 0.000 0.291 205 G HA3 0.616 4.576 3.960 -0.000 0.000 0.291 205 G C -1.895 173.204 174.900 0.331 0.000 1.487 205 G CA -0.522 44.880 45.100 0.504 0.000 0.795 205 G HN 0.956 nan 8.290 nan 0.000 0.513 206 I N 0.580 121.137 120.570 -0.022 0.000 2.478 206 I HA 0.692 4.862 4.170 -0.000 0.000 0.287 206 I C 0.302 175.985 176.117 -0.723 0.000 1.042 206 I CA -0.612 60.436 61.300 -0.421 0.000 1.067 206 I CB 2.320 39.883 38.000 -0.728 0.000 1.233 206 I HN 0.854 nan 8.210 nan 0.000 0.431 207 G N 2.576 110.512 108.800 -1.440 0.000 2.718 207 G HA2 0.374 4.333 3.960 -0.000 0.000 0.295 207 G HA3 0.374 4.333 3.960 -0.000 0.000 0.295 207 G C -0.071 174.313 174.900 -0.859 0.000 1.421 207 G CA -0.279 44.056 45.100 -1.275 0.000 0.902 207 G HN 0.478 nan 8.290 nan 0.000 0.501 208 S N -0.090 115.446 115.700 -0.274 0.000 2.355 208 S HA -0.135 4.335 4.470 -0.000 0.000 0.222 208 S C 2.769 177.436 174.600 0.111 0.000 1.031 208 S CA 2.080 60.304 58.200 0.039 0.000 0.993 208 S CB -0.285 63.143 63.200 0.380 0.000 0.859 208 S HN 1.051 nan 8.310 nan 0.000 0.453 209 T N -0.517 114.143 114.554 0.177 0.000 3.025 209 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 209 T C 1.321 176.184 174.700 0.272 0.000 1.126 209 T CA 0.721 62.950 62.100 0.215 0.000 1.105 209 T CB -0.569 68.459 68.868 0.266 0.000 0.884 209 T HN 0.319 nan 8.240 nan 0.000 0.522 210 Y N 2.296 122.566 120.300 -0.050 0.000 2.403 210 Y HA 0.059 4.609 4.550 -0.000 0.000 0.291 210 Y C 2.409 178.310 175.900 0.001 0.000 1.143 210 Y CA -0.462 57.592 58.100 -0.075 0.000 1.257 210 Y CB -1.075 37.286 38.460 -0.166 0.000 0.984 210 Y HN 0.341 nan 8.280 nan 0.000 0.550 211 N N 0.705 119.525 118.700 0.201 0.000 2.223 211 N HA -0.133 4.607 4.740 -0.000 0.000 0.185 211 N C 1.659 177.336 175.510 0.279 0.000 1.016 211 N CA 1.823 54.996 53.050 0.206 0.000 0.863 211 N CB -0.131 38.459 38.487 0.172 0.000 0.983 211 N HN 0.572 nan 8.380 nan 0.000 0.429 212 I N -2.746 117.949 120.570 0.207 0.000 4.139 212 I HA 0.272 4.442 4.170 -0.000 0.000 0.335 212 I C 0.888 177.016 176.117 0.019 0.000 1.327 212 I CA 0.094 61.534 61.300 0.234 0.000 1.112 212 I CB 0.231 38.330 38.000 0.166 0.000 1.058 212 I HN -0.100 nan 8.210 nan 0.000 0.396 213 M N -0.750 118.713 119.600 -0.229 0.000 4.752 213 M HA 0.506 4.986 4.480 -0.000 0.000 0.582 213 M C 0.814 176.641 176.300 -0.789 0.000 2.135 213 M CA -0.103 54.608 55.300 -0.981 0.000 0.515 213 M CB -0.140 31.993 32.600 -0.779 0.000 1.472 213 M HN -0.073 nan 8.290 nan 0.000 0.624 214 G N 1.653 110.275 108.800 -0.298 0.000 2.475 214 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.220 214 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.220 214 G C 0.909 175.703 174.900 -0.178 0.000 1.125 214 G CA 1.543 46.555 45.100 -0.146 0.000 0.755 214 G HN 0.956 nan 8.290 nan 0.000 0.565 215 W N 0.774 122.022 121.300 -0.086 0.000 2.374 215 W HA 0.104 4.764 4.660 -0.000 0.000 0.288 215 W C 2.302 178.744 176.519 -0.128 0.000 1.218 215 W CA 0.571 57.857 57.345 -0.098 0.000 1.245 215 W CB -0.302 29.106 29.460 -0.087 0.000 1.126 215 W HN 0.031 nan 8.180 nan 0.000 0.545 216 R N -0.507 119.554 120.500 -0.731 0.000 2.092 216 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 216 R C 2.044 178.033 176.300 -0.517 0.000 1.119 216 R CA 1.861 57.613 56.100 -0.580 0.000 0.970 216 R CB -0.846 28.959 30.300 -0.826 0.000 0.864 216 R HN 0.283 nan 8.270 nan 0.000 0.440 217 Y N 0.685 120.694 120.300 -0.484 0.000 2.263 217 Y HA -0.105 4.445 4.550 -0.000 0.000 0.292 217 Y C 2.582 178.295 175.900 -0.312 0.000 1.130 217 Y CA 0.843 58.545 58.100 -0.662 0.000 1.179 217 Y CB -0.071 37.635 38.460 -1.258 0.000 0.998 217 Y HN -0.019 nan 8.280 nan 0.000 0.532 218 Q N -0.449 119.304 119.800 -0.079 0.000 2.119 218 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 218 Q C 2.593 178.630 176.000 0.062 0.000 0.972 218 Q CA 1.327 57.146 55.803 0.026 0.000 0.847 218 Q CB -0.819 27.941 28.738 0.037 0.000 0.903 218 Q HN 0.595 nan 8.270 nan 0.000 0.433 219 G N 1.114 109.935 108.800 0.035 0.000 2.418 219 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 219 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 219 G C 1.568 176.506 174.900 0.063 0.000 1.158 219 G CA 0.490 45.620 45.100 0.050 0.000 0.771 219 G HN 0.270 nan 8.290 nan 0.000 0.545 220 I N 0.373 120.991 120.570 0.080 0.000 2.226 220 I HA -0.174 3.995 4.170 -0.000 0.000 0.245 220 I C 2.780 179.009 176.117 0.188 0.000 1.100 220 I CA 0.529 61.926 61.300 0.161 0.000 1.374 220 I CB -0.256 37.936 38.000 0.319 0.000 1.057 220 I HN 0.036 nan 8.210 nan 0.000 0.413 221 V N 1.048 121.106 119.914 0.239 0.000 2.255 221 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 221 V C 2.540 178.692 176.094 0.096 0.000 1.051 221 V CA 2.164 64.567 62.300 0.172 0.000 1.018 221 V CB -0.740 31.196 31.823 0.189 0.000 0.641 221 V HN 0.430 nan 8.190 nan 0.000 0.445 222 K N 0.269 120.720 120.400 0.085 0.000 2.009 222 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 222 K C 2.233 178.862 176.600 0.049 0.000 1.049 222 K CA 1.738 58.060 56.287 0.058 0.000 0.929 222 K CB -0.435 32.096 32.500 0.052 0.000 0.714 222 K HN 0.399 nan 8.250 nan 0.000 0.440 223 A N 1.426 124.277 122.820 0.052 0.000 1.883 223 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 223 A C 2.185 179.790 177.584 0.036 0.000 1.186 223 A CA 1.606 53.668 52.037 0.041 0.000 0.624 223 A CB -0.722 18.303 19.000 0.042 0.000 0.822 223 A HN 0.361 nan 8.150 nan 0.000 0.444 224 L N -0.839 120.409 121.223 0.042 0.000 2.056 224 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 224 L C 2.656 179.539 176.870 0.021 0.000 1.078 224 L CA 1.927 56.783 54.840 0.028 0.000 0.749 224 L CB -0.448 41.623 42.059 0.021 0.000 0.901 224 L HN 0.492 nan 8.230 nan 0.000 0.433 225 K N 0.705 121.121 120.400 0.026 0.000 2.152 225 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 225 K C 1.211 177.822 176.600 0.019 0.000 1.048 225 K CA 1.468 57.769 56.287 0.022 0.000 0.933 225 K CB 0.100 32.617 32.500 0.028 0.000 0.721 225 K HN 0.400 nan 8.250 nan 0.000 0.447 226 E N -0.597 119.616 120.200 0.021 0.000 2.419 226 E HA 0.098 4.448 4.350 -0.000 0.000 0.190 226 E C 0.280 176.889 176.600 0.015 0.000 1.040 226 E CA 0.210 56.620 56.400 0.018 0.000 0.900 226 E CB 0.609 30.320 29.700 0.019 0.000 1.054 226 E HN 0.511 nan 8.360 nan 0.000 0.462 227 G N 2.897 111.706 108.800 0.015 0.000 2.305 227 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.287 227 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.287 227 G C -0.253 174.655 174.900 0.014 0.000 1.036 227 G CA 0.573 45.681 45.100 0.013 0.000 0.887 227 G HN 0.304 nan 8.290 nan 0.000 0.505 228 D N 0.337 120.747 120.400 0.017 0.000 2.499 228 D HA 0.354 4.993 4.640 -0.000 0.000 0.225 228 D C 1.774 178.086 176.300 0.019 0.000 1.124 228 D CA -0.883 53.127 54.000 0.017 0.000 0.938 228 D CB -0.060 40.751 40.800 0.019 0.000 1.014 228 D HN 0.047 nan 8.370 nan 0.000 0.517 229 I N 1.906 122.486 120.570 0.016 0.000 2.142 229 I HA -0.257 3.913 4.170 -0.000 0.000 0.240 229 I C 2.131 178.259 176.117 0.018 0.000 1.078 229 I CA 1.198 62.508 61.300 0.017 0.000 1.343 229 I CB -0.733 37.275 38.000 0.014 0.000 1.046 229 I HN 0.486 nan 8.210 nan 0.000 0.405 230 Q N -0.042 119.768 119.800 0.015 0.000 2.181 230 Q HA -0.180 4.160 4.340 -0.000 0.000 0.205 230 Q C 2.156 178.165 176.000 0.016 0.000 0.980 230 Q CA 2.062 57.874 55.803 0.014 0.000 0.862 230 Q CB -0.234 28.511 28.738 0.012 0.000 0.905 230 Q HN 0.512 nan 8.270 nan 0.000 0.429 231 T N 0.547 115.112 114.554 0.017 0.000 2.812 231 T HA -0.081 4.268 4.350 -0.000 0.000 0.264 231 T C 1.884 176.597 174.700 0.021 0.000 1.042 231 T CA 1.062 63.173 62.100 0.018 0.000 1.140 231 T CB -0.186 68.694 68.868 0.021 0.000 0.870 231 T HN 0.383 nan 8.240 nan 0.000 0.445 232 A N 1.441 124.278 122.820 0.029 0.000 1.902 232 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 232 A C 2.281 179.888 177.584 0.038 0.000 1.181 232 A CA 1.474 53.536 52.037 0.042 0.000 0.623 232 A CB -0.617 18.413 19.000 0.050 0.000 0.818 232 A HN 0.524 nan 8.150 nan 0.000 0.443 233 Q N -0.335 119.483 119.800 0.030 0.000 2.050 233 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 233 Q C 2.094 178.103 176.000 0.015 0.000 0.980 233 Q CA 1.672 57.491 55.803 0.027 0.000 0.840 233 Q CB -0.203 28.549 28.738 0.022 0.000 0.898 233 Q HN 0.626 nan 8.270 nan 0.000 0.424 234 K N 0.489 120.894 120.400 0.008 0.000 2.097 234 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 234 K C 2.104 178.694 176.600 -0.018 0.000 1.049 234 K CA 0.986 57.272 56.287 -0.001 0.000 0.933 234 K CB -0.131 32.370 32.500 0.003 0.000 0.717 234 K HN 0.202 nan 8.250 nan 0.000 0.442 235 L N 0.674 121.881 121.223 -0.028 0.000 2.056 235 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 235 L C 2.707 179.509 176.870 -0.113 0.000 1.078 235 L CA 1.041 55.833 54.840 -0.081 0.000 0.749 235 L CB -0.360 41.645 42.059 -0.090 0.000 0.901 235 L HN 0.181 nan 8.230 nan 0.000 0.433 236 Q N 0.032 119.807 119.800 -0.042 0.000 2.084 236 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 236 Q C 2.071 178.066 176.000 -0.008 0.000 0.978 236 Q CA 2.266 58.066 55.803 -0.004 0.000 0.844 236 Q CB -0.336 28.446 28.738 0.072 0.000 0.898 236 Q HN 0.337 nan 8.270 nan 0.000 0.426 237 T N 0.996 115.546 114.554 -0.006 0.000 2.788 237 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 237 T C 1.345 176.031 174.700 -0.024 0.000 1.044 237 T CA 1.345 63.443 62.100 -0.004 0.000 1.139 237 T CB -0.159 68.709 68.868 -0.001 0.000 0.867 237 T HN 0.293 nan 8.240 nan 0.000 0.454 238 E N 0.647 120.818 120.200 -0.048 0.000 2.072 238 E HA -0.065 4.284 4.350 -0.000 0.000 0.191 238 E C 2.559 179.104 176.600 -0.092 0.000 0.985 238 E CA 0.654 57.016 56.400 -0.064 0.000 0.801 238 E CB -0.675 28.980 29.700 -0.074 0.000 0.750 238 E HN 0.506 nan 8.360 nan 0.000 0.452 239 C N 1.334 120.554 119.300 -0.133 0.000 2.440 239 C HA -0.063 4.396 4.460 -0.000 0.000 0.278 239 C C 2.292 177.267 174.990 -0.026 0.000 1.295 239 C CA 0.522 59.460 59.018 -0.133 0.000 1.738 239 C CB -1.079 26.533 27.740 -0.214 0.000 1.987 239 C HN 0.391 nan 8.230 nan 0.000 0.492 240 N N 0.859 119.559 118.700 0.001 0.000 2.331 240 N HA -0.056 4.683 4.740 -0.000 0.000 0.180 240 N C 1.645 177.150 175.510 -0.009 0.000 1.019 240 N CA 0.847 53.912 53.050 0.024 0.000 0.881 240 N CB -0.297 38.215 38.487 0.043 0.000 0.972 240 N HN 0.565 nan 8.380 nan 0.000 0.435 241 K N 0.039 120.425 120.400 -0.024 0.000 2.148 241 K HA 0.018 4.338 4.320 -0.000 0.000 0.204 241 K C 1.697 178.264 176.600 -0.054 0.000 1.050 241 K CA 0.610 56.879 56.287 -0.030 0.000 0.942 241 K CB 0.048 32.533 32.500 -0.025 0.000 0.724 241 K HN -0.022 nan 8.250 nan 0.000 0.446 242 V N 1.677 121.551 119.914 -0.067 0.000 2.283 242 V HA -0.218 3.902 4.120 -0.000 0.000 0.243 242 V C 2.133 178.127 176.094 -0.168 0.000 1.039 242 V CA 1.549 63.788 62.300 -0.101 0.000 1.016 242 V CB -0.319 31.448 31.823 -0.094 0.000 0.650 242 V HN 0.258 nan 8.190 nan 0.000 0.449 243 I N 0.253 120.733 120.570 -0.149 0.000 2.264 243 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 243 I C 2.241 178.236 176.117 -0.203 0.000 1.111 243 I CA 1.471 62.628 61.300 -0.239 0.000 1.382 243 I CB -0.507 37.483 38.000 -0.017 0.000 1.060 243 I HN 0.330 nan 8.210 nan 0.000 0.418 244 D N 0.685 121.025 120.400 -0.101 0.000 2.123 244 D HA -0.184 4.456 4.640 -0.000 0.000 0.196 244 D C 2.000 178.228 176.300 -0.120 0.000 0.992 244 D CA 1.178 55.135 54.000 -0.072 0.000 0.833 244 D CB -0.240 40.537 40.800 -0.038 0.000 0.954 244 D HN 0.198 nan 8.370 nan 0.000 0.455 245 L N 0.430 121.562 121.223 -0.152 0.000 2.072 245 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 245 L C 2.131 178.830 176.870 -0.285 0.000 1.079 245 L CA 1.251 55.980 54.840 -0.186 0.000 0.752 245 L CB -0.480 41.493 42.059 -0.144 0.000 0.906 245 L HN 0.002 nan 8.230 nan 0.000 0.436 246 L N -0.891 120.116 121.223 -0.361 0.000 2.083 246 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 246 L C 2.489 179.133 176.870 -0.376 0.000 1.083 246 L CA 1.357 55.904 54.840 -0.490 0.000 0.752 246 L CB -0.502 41.018 42.059 -0.899 0.000 0.899 246 L HN 0.287 nan 8.230 nan 0.000 0.433 247 I N -0.390 120.017 120.570 -0.271 0.000 2.361 247 I HA -0.279 3.891 4.170 -0.000 0.000 0.251 247 I C 2.486 178.556 176.117 -0.078 0.000 1.133 247 I CA 1.294 62.573 61.300 -0.035 0.000 1.413 247 I CB -0.225 37.809 38.000 0.056 0.000 1.073 247 I HN 0.230 nan 8.210 nan 0.000 0.424 248 K N 0.255 120.549 120.400 -0.177 0.000 2.031 248 K HA -0.129 4.190 4.320 -0.000 0.000 0.205 248 K C 2.164 178.511 176.600 -0.421 0.000 1.049 248 K CA 2.012 58.156 56.287 -0.238 0.000 0.939 248 K CB -0.255 32.068 32.500 -0.295 0.000 0.717 248 K HN 0.438 nan 8.250 nan 0.000 0.438 249 T N -2.269 111.950 114.554 -0.559 0.000 3.014 249 T HA 0.155 4.505 4.350 -0.000 0.000 0.263 249 T C 0.782 175.382 174.700 -0.167 0.000 1.078 249 T CA 0.422 62.209 62.100 -0.522 0.000 1.135 249 T CB 0.266 68.862 68.868 -0.454 0.000 0.895 249 T HN 0.289 nan 8.240 nan 0.000 0.480 250 G N -0.345 108.381 108.800 -0.123 0.000 3.187 250 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.682 250 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.682 250 G C -0.024 174.842 174.900 -0.056 0.000 1.266 250 G CA -0.221 44.862 45.100 -0.028 0.000 0.902 250 G HN 0.156 nan 8.290 nan 0.000 0.589 251 W N 2.981 124.138 121.300 -0.237 0.000 2.322 251 W HA -0.104 4.556 4.660 -0.001 0.000 0.326 251 W C 2.159 178.579 176.519 -0.164 0.000 1.224 251 W CA 2.418 59.604 57.345 -0.265 0.000 1.257 251 W CB -0.458 28.737 29.460 -0.442 0.000 1.174 251 W HN 0.558 nan 8.180 nan 0.000 0.460 252 F N 1.118 121.170 119.950 0.170 0.000 2.075 252 F HA -0.227 4.300 4.527 -0.000 0.000 0.297 252 F C 2.686 178.445 175.800 -0.068 0.000 1.113 252 F CA 2.145 60.151 58.000 0.009 0.000 1.218 252 F CB -1.710 37.183 39.000 -0.178 0.000 0.984 252 F HN 0.025 nan 8.300 nan 0.000 0.472 253 R N 0.549 121.082 120.500 0.056 0.000 2.127 253 R HA -0.066 4.273 4.340 -0.000 0.000 0.238 253 R C 2.373 178.676 176.300 0.004 0.000 1.134 253 R CA 1.519 57.627 56.100 0.015 0.000 0.975 253 R CB -1.657 28.643 30.300 -0.000 0.000 0.865 253 R HN 0.335 nan 8.270 nan 0.000 0.447 254 G N 1.983 110.767 108.800 -0.027 0.000 2.418 254 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 254 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 254 G C 1.580 176.457 174.900 -0.039 0.000 1.158 254 G CA 0.674 45.736 45.100 -0.064 0.000 0.771 254 G HN 0.188 nan 8.290 nan 0.000 0.545 255 L N -0.117 121.094 121.223 -0.019 0.000 2.056 255 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 255 L C 2.982 179.870 176.870 0.031 0.000 1.078 255 L CA 1.257 56.109 54.840 0.019 0.000 0.749 255 L CB -0.303 41.808 42.059 0.087 0.000 0.901 255 L HN 0.168 nan 8.230 nan 0.000 0.433 256 K N -0.609 119.806 120.400 0.025 0.000 2.057 256 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 256 K C 2.078 178.664 176.600 -0.022 0.000 1.049 256 K CA 1.797 58.081 56.287 -0.005 0.000 0.931 256 K CB -0.302 32.189 32.500 -0.015 0.000 0.714 256 K HN 0.266 nan 8.250 nan 0.000 0.440 257 T N 1.067 115.606 114.554 -0.026 0.000 2.746 257 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 257 T C 2.017 176.705 174.700 -0.020 0.000 1.039 257 T CA 1.220 63.283 62.100 -0.061 0.000 1.142 257 T CB -0.169 68.698 68.868 -0.002 0.000 0.866 257 T HN -0.049 nan 8.240 nan 0.000 0.444 258 V N 1.547 121.499 119.914 0.063 0.000 2.295 258 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 258 V C 2.481 178.617 176.094 0.070 0.000 1.049 258 V CA 1.444 63.819 62.300 0.126 0.000 1.024 258 V CB -0.676 31.205 31.823 0.096 0.000 0.648 258 V HN 0.448 nan 8.190 nan 0.000 0.447 259 L N -0.473 120.760 121.223 0.016 0.000 2.191 259 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 259 L C 2.548 179.363 176.870 -0.091 0.000 1.103 259 L CA 1.757 56.560 54.840 -0.062 0.000 0.769 259 L CB -0.749 41.275 42.059 -0.059 0.000 0.908 259 L HN 0.492 nan 8.230 nan 0.000 0.438 260 H N -0.470 118.489 119.070 -0.185 0.000 2.326 260 H HA -0.202 4.354 4.556 -0.000 0.000 0.301 260 H C 1.885 177.086 175.328 -0.213 0.000 1.081 260 H CA 1.833 57.728 56.048 -0.254 0.000 1.334 260 H CB -0.205 29.319 29.762 -0.395 0.000 1.385 260 H HN 0.197 nan 8.280 nan 0.000 0.504 261 Y N -0.231 119.985 120.300 -0.141 0.000 2.574 261 Y HA -0.050 4.499 4.550 -0.000 0.000 0.294 261 Y C 1.994 177.802 175.900 -0.153 0.000 1.142 261 Y CA 0.760 58.752 58.100 -0.181 0.000 1.314 261 Y CB -0.352 38.079 38.460 -0.047 0.000 0.991 261 Y HN 0.327 nan 8.280 nan 0.000 0.555 262 M N -0.753 118.826 119.600 -0.035 0.000 2.495 262 M HA 0.028 4.508 4.480 -0.000 0.000 0.237 262 M C -0.294 175.902 176.300 -0.174 0.000 1.131 262 M CA 0.517 55.763 55.300 -0.090 0.000 1.032 262 M CB 0.244 32.750 32.600 -0.156 0.000 1.513 262 M HN -0.003 nan 8.290 nan 0.000 0.488 263 D N -0.479 119.805 120.400 -0.193 0.000 2.907 263 D HA -0.131 4.509 4.640 -0.000 0.000 0.226 263 D C 0.611 176.799 176.300 -0.185 0.000 1.141 263 D CA 0.301 54.191 54.000 -0.183 0.000 0.779 263 D CB -1.483 39.243 40.800 -0.122 0.000 1.095 263 D HN 0.199 nan 8.370 nan 0.000 0.430 264 V N -1.399 118.377 119.914 -0.229 0.000 2.627 264 V HA 0.075 4.195 4.120 -0.000 0.000 0.239 264 V C 1.195 177.216 176.094 -0.121 0.000 1.077 264 V CA 0.480 62.637 62.300 -0.238 0.000 1.103 264 V CB 0.614 32.182 31.823 -0.425 0.000 0.802 264 V HN 0.093 nan 8.190 nan 0.000 0.482 265 V N 0.980 120.846 119.914 -0.080 0.000 2.370 265 V HA 0.287 4.407 4.120 -0.000 0.000 0.279 265 V C 1.208 177.351 176.094 0.083 0.000 1.029 265 V CA 0.202 62.489 62.300 -0.022 0.000 0.870 265 V CB 1.241 33.042 31.823 -0.036 0.000 0.984 265 V HN 0.352 nan 8.190 nan 0.000 0.451 266 S N 3.761 119.490 115.700 0.047 0.000 2.343 266 S HA -0.049 4.421 4.470 -0.000 0.000 0.219 266 S C 0.633 175.248 174.600 0.026 0.000 1.033 266 S CA 1.091 59.340 58.200 0.081 0.000 1.014 266 S CB 0.079 63.296 63.200 0.029 0.000 0.915 266 S HN 0.550 nan 8.310 nan 0.000 0.435 267 V N 3.713 123.594 119.914 -0.055 0.000 2.376 267 V HA 0.291 4.411 4.120 -0.000 0.000 0.287 267 V C -2.236 173.783 176.094 -0.126 0.000 1.015 267 V CA -1.612 60.603 62.300 -0.142 0.000 0.834 267 V CB 1.633 33.424 31.823 -0.053 0.000 1.001 267 V HN 0.217 nan 8.190 nan 0.000 0.428 268 P HA 0.168 nan 4.420 nan 0.000 0.254 268 P C -0.247 177.025 177.300 -0.047 0.000 1.631 268 P CA 0.119 63.139 63.100 -0.133 0.000 0.861 268 P CB 0.190 31.766 31.700 -0.206 0.000 1.663 269 L N -0.176 121.057 121.223 0.017 0.000 2.334 269 L HA 0.396 4.736 4.340 -0.000 0.000 0.275 269 L C 0.708 177.693 176.870 0.191 0.000 1.036 269 L CA -0.795 54.091 54.840 0.077 0.000 0.807 269 L CB 1.387 43.486 42.059 0.067 0.000 1.231 269 L HN 0.045 nan 8.230 nan 0.000 0.438 270 C N 0.964 120.361 119.300 0.162 0.000 2.345 270 C HA 0.494 4.954 4.460 -0.000 0.000 0.370 270 C C 0.573 175.670 174.990 0.178 0.000 1.209 270 C CA -0.827 58.324 59.018 0.222 0.000 2.133 270 C CB 1.440 29.197 27.740 0.029 0.000 2.293 270 C HN 0.738 nan 8.230 nan 0.000 0.544 271 R N 1.114 121.696 120.500 0.138 0.000 2.490 271 R HA 0.257 4.596 4.340 -0.000 0.000 0.278 271 R C -0.126 176.265 176.300 0.152 0.000 1.069 271 R CA -0.517 55.566 56.100 -0.028 0.000 1.080 271 R CB 0.523 30.681 30.300 -0.238 0.000 1.030 271 R HN 0.529 nan 8.270 nan 0.000 0.491 272 K N 2.734 123.163 120.400 0.048 0.000 2.380 272 K HA 0.018 4.338 4.320 -0.000 0.000 0.267 272 K C -1.320 175.276 176.600 -0.006 0.000 0.990 272 K CA -1.021 55.291 56.287 0.042 0.000 0.946 272 K CB 0.326 32.829 32.500 0.006 0.000 0.937 272 K HN 0.495 nan 8.250 nan 0.000 0.491 273 P HA -0.057 nan 4.420 nan 0.000 0.239 273 P C -0.026 177.259 177.300 -0.026 0.000 1.184 273 P CA 0.282 63.339 63.100 -0.072 0.000 0.760 273 P CB 0.157 31.785 31.700 -0.120 0.000 0.884 274 F N 1.593 121.577 119.950 0.057 0.000 2.608 274 F HA 0.263 4.790 4.527 -0.000 0.000 0.380 274 F C 1.843 177.678 175.800 0.058 0.000 1.083 274 F CA 0.555 58.601 58.000 0.076 0.000 1.266 274 F CB -0.029 39.044 39.000 0.122 0.000 1.076 274 F HN -0.090 nan 8.300 nan 0.000 0.574 275 G N 3.751 112.714 108.800 0.271 0.000 2.531 275 G HA2 0.616 4.576 3.960 -0.000 0.000 0.313 275 G HA3 0.616 4.576 3.960 -0.000 0.000 0.313 275 G C -2.587 172.403 174.900 0.150 0.000 1.238 275 G CA -1.276 43.922 45.100 0.164 0.000 0.994 275 G HN 0.431 nan 8.290 nan 0.000 0.493 276 P HA 0.297 nan 4.420 nan 0.000 0.277 276 P C -0.278 177.080 177.300 0.096 0.000 1.271 276 P CA -0.421 62.729 63.100 0.085 0.000 0.795 276 P CB 1.157 32.894 31.700 0.061 0.000 1.101 277 V N 1.373 121.340 119.914 0.089 0.000 2.614 277 V HA 0.017 4.137 4.120 -0.000 0.000 0.291 277 V C 1.018 177.204 176.094 0.154 0.000 1.049 277 V CA -0.020 62.357 62.300 0.128 0.000 1.038 277 V CB 0.115 32.008 31.823 0.117 0.000 0.980 277 V HN 0.602 nan 8.190 nan 0.000 0.481 278 D N 3.359 123.897 120.400 0.229 0.000 2.417 278 D HA -0.035 4.605 4.640 -0.000 0.000 0.250 278 D C 1.145 177.498 176.300 0.089 0.000 1.166 278 D CA 0.250 54.331 54.000 0.134 0.000 0.881 278 D CB 1.022 41.876 40.800 0.089 0.000 1.164 278 D HN 0.778 nan 8.370 nan 0.000 0.467 279 E N 3.220 123.440 120.200 0.033 0.000 2.219 279 E HA -0.252 4.098 4.350 -0.000 0.000 0.198 279 E C 1.676 178.267 176.600 -0.015 0.000 0.998 279 E CA 1.223 57.642 56.400 0.032 0.000 0.818 279 E CB 0.136 29.847 29.700 0.019 0.000 0.741 279 E HN 0.560 nan 8.360 nan 0.000 0.477 280 K N -0.746 119.570 120.400 -0.141 0.000 2.442 280 K HA -0.168 4.151 4.320 -0.000 0.000 0.198 280 K C 0.856 177.331 176.600 -0.209 0.000 1.044 280 K CA 1.169 57.325 56.287 -0.220 0.000 0.948 280 K CB -0.099 32.192 32.500 -0.350 0.000 0.762 280 K HN 0.214 nan 8.250 nan 0.000 0.472 281 Y N 1.150 121.469 120.300 0.033 0.000 2.497 281 Y HA 0.215 4.764 4.550 -0.000 0.000 0.265 281 Y C 1.842 177.772 175.900 0.050 0.000 1.111 281 Y CA -0.426 57.694 58.100 0.033 0.000 1.288 281 Y CB -0.037 38.441 38.460 0.031 0.000 1.082 281 Y HN -0.110 nan 8.280 nan 0.000 0.536 282 L N 0.415 121.759 121.223 0.203 0.000 2.021 282 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 282 L C -0.420 176.500 176.870 0.083 0.000 1.074 282 L CA 1.662 56.619 54.840 0.195 0.000 0.760 282 L CB -1.827 40.345 42.059 0.189 0.000 0.889 282 L HN 0.170 nan 8.230 nan 0.000 0.433 283 P HA -0.183 nan 4.420 nan 0.000 0.215 283 P C 1.349 178.643 177.300 -0.010 0.000 1.157 283 P CA 1.397 64.487 63.100 -0.016 0.000 0.874 283 P CB 0.061 31.759 31.700 -0.003 0.000 0.790 284 E N -0.751 119.478 120.200 0.048 0.000 2.047 284 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 284 E C 2.038 178.662 176.600 0.039 0.000 0.987 284 E CA 0.883 57.311 56.400 0.047 0.000 0.799 284 E CB -0.621 29.132 29.700 0.089 0.000 0.752 284 E HN 0.201 nan 8.360 nan 0.000 0.449 285 L N 0.917 122.188 121.223 0.081 0.000 2.046 285 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 285 L C 2.615 179.544 176.870 0.098 0.000 1.077 285 L CA 1.161 56.072 54.840 0.119 0.000 0.747 285 L CB -0.317 41.871 42.059 0.216 0.000 0.896 285 L HN 0.059 nan 8.230 nan 0.000 0.432 286 K N 0.346 120.687 120.400 -0.098 0.000 2.057 286 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 286 K C 2.144 178.629 176.600 -0.191 0.000 1.050 286 K CA 1.283 57.293 56.287 -0.462 0.000 0.935 286 K CB -0.068 31.941 32.500 -0.819 0.000 0.715 286 K HN 0.253 nan 8.250 nan 0.000 0.439 287 A N 1.147 123.901 122.820 -0.110 0.000 1.969 287 A HA -0.127 4.192 4.320 -0.000 0.000 0.218 287 A C 1.974 179.552 177.584 -0.010 0.000 1.169 287 A CA 1.136 53.141 52.037 -0.055 0.000 0.635 287 A CB -0.483 18.496 19.000 -0.036 0.000 0.810 287 A HN 0.393 nan 8.150 nan 0.000 0.445 288 L N -0.263 120.965 121.223 0.009 0.000 2.056 288 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 288 L C 2.571 179.481 176.870 0.066 0.000 1.078 288 L CA 2.067 56.928 54.840 0.035 0.000 0.749 288 L CB -0.960 41.118 42.059 0.032 0.000 0.901 288 L HN 0.314 nan 8.230 nan 0.000 0.433 289 A N -0.775 122.092 122.820 0.079 0.000 1.865 289 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 289 A C 2.128 179.766 177.584 0.090 0.000 1.191 289 A CA 1.800 53.906 52.037 0.115 0.000 0.623 289 A CB -0.638 18.458 19.000 0.161 0.000 0.826 289 A HN 0.603 nan 8.150 nan 0.000 0.444 290 Q N -0.419 119.405 119.800 0.040 0.000 2.061 290 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 290 Q C 2.223 178.252 176.000 0.048 0.000 0.984 290 Q CA 1.979 57.799 55.803 0.027 0.000 0.846 290 Q CB -0.772 27.961 28.738 -0.008 0.000 0.902 290 Q HN 0.922 nan 8.270 nan 0.000 0.421 291 Q N 0.506 120.337 119.800 0.051 0.000 2.045 291 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 291 Q C 2.220 178.288 176.000 0.113 0.000 0.991 291 Q CA 1.376 57.218 55.803 0.065 0.000 0.851 291 Q CB -0.167 28.605 28.738 0.057 0.000 0.911 291 Q HN 0.381 nan 8.270 nan 0.000 0.418 292 L N -0.094 121.228 121.223 0.165 0.000 2.046 292 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 292 L C 2.759 179.774 176.870 0.242 0.000 1.077 292 L CA 1.225 56.247 54.840 0.304 0.000 0.747 292 L CB -0.386 41.886 42.059 0.355 0.000 0.896 292 L HN 0.395 nan 8.230 nan 0.000 0.432 293 M N -1.044 118.651 119.600 0.157 0.000 2.086 293 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 293 M C 2.388 178.696 176.300 0.012 0.000 1.067 293 M CA 1.794 57.146 55.300 0.087 0.000 1.116 293 M CB -0.416 32.229 32.600 0.074 0.000 1.348 293 M HN 0.285 nan 8.290 nan 0.000 0.407 294 Q N -0.015 119.798 119.800 0.021 0.000 2.020 294 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 294 Q C 1.977 177.958 176.000 -0.032 0.000 0.982 294 Q CA 1.671 57.469 55.803 -0.007 0.000 0.838 294 Q CB -0.362 28.380 28.738 0.006 0.000 0.899 294 Q HN 0.542 nan 8.270 nan 0.000 0.423 295 E N 0.656 120.860 120.200 0.006 0.000 2.219 295 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 295 E C 0.928 177.432 176.600 -0.160 0.000 0.998 295 E CA 0.558 56.960 56.400 0.003 0.000 0.818 295 E CB 0.226 30.012 29.700 0.143 0.000 0.741 295 E HN -0.063 nan 8.360 nan 0.000 0.477 296 R N 0.000 120.327 120.500 -0.288 0.000 2.786 296 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 296 R CA 0.000 55.728 56.100 -0.620 0.000 0.921 296 R CB 0.000 29.806 30.300 -0.823 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535