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 2wy1_1_B DATA FIRST_RESID 5 DATA SEQUENCE IHPFHLLYYS KSTcAQLXXX XXXTLPEPTF EPVPIQAKTS PVDEKTLRDK DATA SEQUENCE LVLATEKLEA EDRQRAAQVA MIANFMGFRM YKMLSEARXV ASGAVLSPPA DATA SEQUENCE LFGTLVSFYL GSLDPTASQL QVLLGVPVKE GDcTSRLDGH KVLTALQAVQ DATA SEQUENCE GLLVTXXXXX XXXPLLQSTV VGLFTAPGLR LKQPFVESLG PFTPAIFPRS DATA SEQUENCE LDLSTDPVLA AQKINRFVQA VTGWKMNLPL EGVSTDSTLF FNTYVHFQGK DATA SEQUENCE MRGFSQLTGL HEFWVDNSTS VSVPMLSGTG NFQHWSDAQN NFSVTRVPLG DATA SEQUENCE ESVTLLLIQP QCASDLDRVE VLVFQHDFLT WIKNPPPRAI RLTLPQLEIR DATA SEQUENCE GSYNLQDLLA QAKLSTLLGA EANLGKMGDT NPRVGEVLNS ILLELQAGEX DATA SEQUENCE XXXXXXXXXX XXXEVLDVTL SSPFLFAIYE RDSGALHFLG RVDNPQ 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.172 176.117 0.092 0.000 1.063 5 I CA 0.000 61.309 61.300 0.015 0.000 1.566 5 I CB 0.000 37.962 38.000 -0.063 0.000 1.214 6 H N 6.653 125.774 119.070 0.085 0.000 2.771 6 H HA 0.296 4.840 4.556 -0.020 0.000 0.364 6 H C -2.020 173.375 175.328 0.112 0.000 1.133 6 H CA -0.856 55.248 56.048 0.094 0.000 1.423 6 H CB 1.193 31.084 29.762 0.214 0.000 1.425 6 H HN 0.199 nan 8.280 nan 0.000 0.606 7 P HA -0.083 nan 4.420 nan 0.000 0.226 7 P C -0.334 176.799 177.300 -0.279 0.000 1.153 7 P CA 1.032 63.895 63.100 -0.396 0.000 0.777 7 P CB 0.242 31.520 31.700 -0.703 0.000 0.794 8 F N -0.834 119.098 119.950 -0.029 0.000 2.983 8 F HA 0.151 4.666 4.527 -0.020 0.000 0.307 8 F C 1.991 177.798 175.800 0.012 0.000 1.218 8 F CA -1.024 56.947 58.000 -0.048 0.000 1.323 8 F CB -1.484 37.498 39.000 -0.030 0.000 0.989 8 F HN 0.169 nan 8.300 nan 0.000 0.509 9 H N -0.853 118.389 119.070 0.286 0.000 2.457 9 H HA -0.032 4.512 4.556 -0.020 0.000 0.294 9 H C 1.508 177.007 175.328 0.286 0.000 1.064 9 H CA 1.207 57.482 56.048 0.379 0.000 1.330 9 H CB -0.266 29.637 29.762 0.235 0.000 1.395 9 H HN 0.392 nan 8.280 nan 0.000 0.541 10 L N 0.914 122.005 121.223 -0.219 0.000 2.478 10 L HA 0.008 4.336 4.340 -0.020 0.000 0.223 10 L C 2.262 179.102 176.870 -0.050 0.000 1.140 10 L CA 0.163 54.955 54.840 -0.080 0.000 0.842 10 L CB -0.126 41.822 42.059 -0.185 0.000 0.953 10 L HN 0.192 nan 8.230 nan 0.000 0.452 11 L N -1.587 119.565 121.223 -0.119 0.000 2.492 11 L HA -0.013 4.315 4.340 -0.020 0.000 0.223 11 L C 0.551 177.267 176.870 -0.257 0.000 1.132 11 L CA 0.086 54.794 54.840 -0.220 0.000 0.850 11 L CB -0.326 41.542 42.059 -0.318 0.000 0.966 11 L HN 0.119 nan 8.230 nan 0.000 0.454 12 Y N -1.444 118.843 120.300 -0.022 0.000 2.298 12 Y HA 0.185 4.723 4.550 -0.020 0.000 0.329 12 Y C 0.316 176.210 175.900 -0.010 0.000 1.293 12 Y CA -0.813 57.273 58.100 -0.023 0.000 1.388 12 Y CB 0.125 38.627 38.460 0.072 0.000 1.309 12 Y HN -0.193 nan 8.280 nan 0.000 0.544 13 Y N 0.609 121.073 120.300 0.274 0.000 2.610 13 Y HA 0.080 4.617 4.550 -0.021 0.000 0.332 13 Y C 0.864 176.856 175.900 0.154 0.000 1.201 13 Y CA -0.450 57.757 58.100 0.178 0.000 1.465 13 Y CB 0.125 38.673 38.460 0.148 0.000 1.283 13 Y HN 0.528 nan 8.280 nan 0.000 0.563 14 S N 2.497 118.377 115.700 0.299 0.000 2.614 14 S HA 0.238 4.695 4.470 -0.020 0.000 0.265 14 S C 0.931 175.620 174.600 0.148 0.000 1.303 14 S CA -0.943 57.373 58.200 0.193 0.000 1.000 14 S CB 1.202 64.496 63.200 0.156 0.000 0.935 14 S HN 0.697 nan 8.310 nan 0.000 0.551 15 K N 0.792 121.251 120.400 0.099 0.000 2.211 15 K HA -0.095 4.213 4.320 -0.020 0.000 0.203 15 K C 2.466 179.096 176.600 0.050 0.000 1.050 15 K CA 1.401 57.726 56.287 0.064 0.000 0.945 15 K CB -0.348 32.179 32.500 0.045 0.000 0.732 15 K HN 0.775 nan 8.250 nan 0.000 0.451 16 S N 0.771 116.505 115.700 0.058 0.000 2.362 16 S HA -0.125 4.332 4.470 -0.020 0.000 0.221 16 S C 2.293 176.917 174.600 0.040 0.000 1.032 16 S CA 1.494 59.721 58.200 0.044 0.000 0.973 16 S CB -0.829 62.400 63.200 0.048 0.000 0.849 16 S HN 0.353 nan 8.310 nan 0.000 0.465 17 T N -1.057 113.536 114.554 0.066 0.000 2.867 17 T HA -0.036 4.302 4.350 -0.020 0.000 0.268 17 T C 1.998 176.687 174.700 -0.020 0.000 1.057 17 T CA 1.070 63.204 62.100 0.056 0.000 1.136 17 T CB -1.246 67.705 68.868 0.139 0.000 0.874 17 T HN 0.475 nan 8.240 nan 0.000 0.466 18 c N 1.327 119.915 118.600 -0.019 0.000 2.467 18 c HA 0.495 5.053 4.570 -0.020 0.000 0.279 18 c C 3.312 177.358 174.090 -0.072 0.000 1.347 18 c CA 0.246 56.508 56.329 -0.112 0.000 1.748 18 c CB -1.457 41.029 42.510 -0.040 0.000 1.977 18 c HN 0.720 nan 8.230 nan 0.000 0.501 19 A N -0.614 122.190 122.820 -0.025 0.000 2.015 19 A HA -0.050 4.258 4.320 -0.020 0.000 0.219 19 A C 2.251 179.821 177.584 -0.024 0.000 1.163 19 A CA 2.157 54.183 52.037 -0.019 0.000 0.646 19 A CB -0.900 18.099 19.000 -0.002 0.000 0.806 19 A HN 0.698 nan 8.150 nan 0.000 0.448 20 Q N -0.725 119.060 119.800 -0.024 0.000 2.084 20 Q HA 0.289 4.617 4.340 -0.020 0.000 0.202 20 Q C 1.545 177.521 176.000 -0.040 0.000 0.978 20 Q CA 1.833 57.622 55.803 -0.024 0.000 0.844 20 Q CB -1.812 26.918 28.738 -0.014 0.000 0.898 20 Q HN 1.355 nan 8.270 nan 0.000 0.426 29 L N 2.946 124.170 121.223 0.002 0.000 2.344 29 L HA 0.685 5.013 4.340 -0.020 0.000 0.272 29 L C -1.888 174.986 176.870 0.008 0.000 1.035 29 L CA -1.896 52.947 54.840 0.005 0.000 0.807 29 L CB -0.259 41.804 42.059 0.007 0.000 1.237 29 L HN 0.398 nan 8.230 nan 0.000 0.442 30 P HA 0.084 nan 4.420 nan 0.000 0.269 30 P C -0.984 176.327 177.300 0.019 0.000 1.209 30 P CA -0.424 62.684 63.100 0.012 0.000 0.776 30 P CB 0.284 31.990 31.700 0.011 0.000 0.876 31 E N 3.065 123.279 120.200 0.024 0.000 2.299 31 E HA 0.160 4.498 4.350 -0.020 0.000 0.272 31 E C -1.918 174.711 176.600 0.048 0.000 1.043 31 E CA -1.754 54.669 56.400 0.037 0.000 0.895 31 E CB -0.745 28.980 29.700 0.042 0.000 1.011 31 E HN 0.364 nan 8.360 nan 0.000 0.432 32 P HA 0.055 nan 4.420 nan 0.000 0.269 32 P C -0.104 177.268 177.300 0.120 0.000 1.215 32 P CA -0.068 63.078 63.100 0.077 0.000 0.780 32 P CB 0.671 32.413 31.700 0.071 0.000 0.898 33 T N -1.339 113.297 114.554 0.137 0.000 2.841 33 T HA 0.803 5.141 4.350 -0.020 0.000 0.296 33 T C -1.058 173.796 174.700 0.256 0.000 1.166 33 T CA -0.770 61.429 62.100 0.165 0.000 1.007 33 T CB 1.415 70.312 68.868 0.049 0.000 1.253 33 T HN 0.412 nan 8.240 nan 0.000 0.511 34 F N -1.408 118.558 119.950 0.026 0.000 2.665 34 F HA 0.749 5.265 4.527 -0.018 0.000 0.308 34 F C -0.985 174.829 175.800 0.023 0.000 1.112 34 F CA -1.154 56.859 58.000 0.021 0.000 0.972 34 F CB 1.476 40.488 39.000 0.021 0.000 1.295 34 F HN 0.849 nan 8.300 nan 0.000 0.440 35 E N 3.645 123.853 120.200 0.012 0.000 2.167 35 E HA 0.432 4.770 4.350 -0.020 0.000 0.284 35 E C -2.517 174.122 176.600 0.066 0.000 1.016 35 E CA -2.116 54.239 56.400 -0.074 0.000 0.817 35 E CB 1.043 30.738 29.700 -0.009 0.000 1.080 35 E HN 0.408 nan 8.360 nan 0.000 0.397 36 P HA -0.086 nan 4.420 nan 0.000 0.266 36 P C -0.542 176.819 177.300 0.101 0.000 1.195 36 P CA -0.176 63.011 63.100 0.144 0.000 0.768 36 P CB 0.453 32.184 31.700 0.051 0.000 0.838 37 V N 1.605 121.589 119.914 0.118 0.000 3.287 37 V HA 0.208 4.316 4.120 -0.020 0.000 0.306 37 V C -2.231 173.863 176.094 0.000 0.000 1.103 37 V CA -1.737 60.595 62.300 0.054 0.000 1.159 37 V CB -1.039 30.814 31.823 0.050 0.000 1.036 37 V HN 0.416 nan 8.190 nan 0.000 0.487 38 P HA 0.118 nan 4.420 nan 0.000 0.267 38 P C 0.944 178.172 177.300 -0.120 0.000 1.201 38 P CA 0.192 63.253 63.100 -0.065 0.000 0.775 38 P CB 0.395 32.064 31.700 -0.052 0.000 0.854 39 I N 1.480 121.935 120.570 -0.191 0.000 2.361 39 I HA -0.330 3.827 4.170 -0.020 0.000 0.251 39 I C 1.656 177.635 176.117 -0.229 0.000 1.133 39 I CA 1.678 62.768 61.300 -0.350 0.000 1.413 39 I CB 0.069 37.830 38.000 -0.400 0.000 1.073 39 I HN 0.322 nan 8.210 nan 0.000 0.424 40 Q N 1.511 121.235 119.800 -0.127 0.000 2.135 40 Q HA 0.015 4.343 4.340 -0.020 0.000 0.204 40 Q C 1.084 177.063 176.000 -0.035 0.000 0.981 40 Q CA 1.055 56.819 55.803 -0.066 0.000 0.856 40 Q CB -0.609 28.097 28.738 -0.053 0.000 0.902 40 Q HN 0.614 nan 8.270 nan 0.000 0.425 41 A N 1.731 124.529 122.820 -0.037 0.000 2.608 41 A HA -0.135 4.173 4.320 -0.020 0.000 0.239 41 A C 0.094 177.685 177.584 0.012 0.000 1.018 41 A CA 0.237 52.269 52.037 -0.010 0.000 0.766 41 A CB -0.196 18.802 19.000 -0.003 0.000 0.928 41 A HN 0.219 nan 8.150 nan 0.000 0.512 42 K N 2.396 122.799 120.400 0.007 0.000 2.402 42 K HA 0.172 4.480 4.320 -0.020 0.000 0.285 42 K C -0.679 175.924 176.600 0.005 0.000 1.054 42 K CA 0.515 56.803 56.287 0.003 0.000 1.001 42 K CB 0.071 32.566 32.500 -0.009 0.000 0.946 42 K HN 0.682 nan 8.250 nan 0.000 0.473 43 T N 2.839 117.388 114.554 -0.008 0.000 2.786 43 T HA 0.175 4.512 4.350 -0.020 0.000 0.283 43 T C -0.519 174.119 174.700 -0.103 0.000 0.992 43 T CA -0.640 61.432 62.100 -0.046 0.000 0.954 43 T CB 1.571 70.391 68.868 -0.081 0.000 0.934 43 T HN 0.461 nan 8.240 nan 0.000 0.440 44 S N 4.315 119.973 115.700 -0.070 0.000 2.579 44 S HA 0.293 4.751 4.470 -0.020 0.000 0.275 44 S C -1.988 172.541 174.600 -0.119 0.000 1.345 44 S CA -0.876 57.278 58.200 -0.076 0.000 1.031 44 S CB 0.045 63.223 63.200 -0.036 0.000 0.892 44 S HN 0.491 nan 8.310 nan 0.000 0.529 45 P HA 0.140 nan 4.420 nan 0.000 0.269 45 P C -1.120 176.127 177.300 -0.088 0.000 1.209 45 P CA -0.330 62.675 63.100 -0.159 0.000 0.776 45 P CB 0.278 31.890 31.700 -0.146 0.000 0.876 46 V N 1.955 121.819 119.914 -0.084 0.000 2.407 46 V HA 0.177 4.285 4.120 -0.020 0.000 0.278 46 V C 0.472 176.557 176.094 -0.016 0.000 1.037 46 V CA -0.562 61.733 62.300 -0.009 0.000 0.900 46 V CB 1.098 32.954 31.823 0.054 0.000 0.983 46 V HN 0.471 nan 8.190 nan 0.000 0.459 47 D N 3.623 124.026 120.400 0.005 0.000 2.346 47 D HA 0.077 4.705 4.640 -0.020 0.000 0.260 47 D C 1.185 177.513 176.300 0.047 0.000 1.252 47 D CA 0.190 54.201 54.000 0.018 0.000 0.895 47 D CB 1.076 41.883 40.800 0.012 0.000 1.097 47 D HN 0.688 nan 8.370 nan 0.000 0.489 48 E N 2.847 123.097 120.200 0.084 0.000 2.160 48 E HA -0.222 4.115 4.350 -0.020 0.000 0.195 48 E C 1.590 178.236 176.600 0.076 0.000 0.991 48 E CA 0.813 57.292 56.400 0.131 0.000 0.810 48 E CB 0.282 30.112 29.700 0.217 0.000 0.742 48 E HN 0.445 nan 8.360 nan 0.000 0.466 49 K N 0.486 120.917 120.400 0.051 0.000 2.057 49 K HA -0.111 4.197 4.320 -0.020 0.000 0.206 49 K C 1.998 178.610 176.600 0.021 0.000 1.050 49 K CA 1.576 57.880 56.287 0.028 0.000 0.935 49 K CB 0.067 32.579 32.500 0.020 0.000 0.715 49 K HN 0.002 nan 8.250 nan 0.000 0.439 50 T N 1.727 116.294 114.554 0.021 0.000 2.867 50 T HA -0.070 4.268 4.350 -0.020 0.000 0.268 50 T C 1.741 176.449 174.700 0.013 0.000 1.057 50 T CA 0.939 63.047 62.100 0.013 0.000 1.136 50 T CB -0.057 68.817 68.868 0.010 0.000 0.874 50 T HN 0.147 nan 8.240 nan 0.000 0.466 51 L N 0.504 121.741 121.223 0.023 0.000 2.056 51 L HA -0.031 4.297 4.340 -0.020 0.000 0.207 51 L C 2.913 179.794 176.870 0.018 0.000 1.078 51 L CA 1.228 56.081 54.840 0.022 0.000 0.749 51 L CB -0.493 41.593 42.059 0.045 0.000 0.901 51 L HN 0.126 nan 8.230 nan 0.000 0.433 52 R N 0.294 120.805 120.500 0.018 0.000 2.117 52 R HA -0.207 4.121 4.340 -0.020 0.000 0.243 52 R C 1.824 178.127 176.300 0.006 0.000 1.143 52 R CA 1.928 58.032 56.100 0.008 0.000 0.968 52 R CB -0.237 30.061 30.300 -0.002 0.000 0.863 52 R HN 0.411 nan 8.270 nan 0.000 0.444 53 D N 0.376 120.780 120.400 0.006 0.000 2.117 53 D HA -0.154 4.474 4.640 -0.020 0.000 0.197 53 D C 1.608 177.911 176.300 0.005 0.000 0.987 53 D CA 1.205 55.208 54.000 0.005 0.000 0.829 53 D CB -0.042 40.761 40.800 0.005 0.000 0.961 53 D HN 0.278 nan 8.370 nan 0.000 0.460 54 K N 0.355 120.758 120.400 0.005 0.000 2.365 54 K HA 0.022 4.330 4.320 -0.020 0.000 0.199 54 K C 2.278 178.882 176.600 0.007 0.000 1.045 54 K CA 0.135 56.424 56.287 0.003 0.000 0.962 54 K CB 0.196 32.695 32.500 -0.002 0.000 0.759 54 K HN 0.223 nan 8.250 nan 0.000 0.469 55 L N 0.253 121.482 121.223 0.010 0.000 2.049 55 L HA -0.120 4.208 4.340 -0.020 0.000 0.203 55 L C 2.351 179.229 176.870 0.013 0.000 1.074 55 L CA 0.645 55.494 54.840 0.015 0.000 0.749 55 L CB -0.511 41.559 42.059 0.019 0.000 0.907 55 L HN -0.129 nan 8.230 nan 0.000 0.439 56 V N 0.441 120.361 119.914 0.009 0.000 2.392 56 V HA -0.310 3.798 4.120 -0.020 0.000 0.249 56 V C 2.458 178.557 176.094 0.009 0.000 1.059 56 V CA 1.654 63.959 62.300 0.008 0.000 1.051 56 V CB -0.416 31.410 31.823 0.005 0.000 0.658 56 V HN 0.349 nan 8.190 nan 0.000 0.455 57 L N -0.306 120.921 121.223 0.008 0.000 2.127 57 L HA -0.202 4.126 4.340 -0.020 0.000 0.211 57 L C 2.620 179.496 176.870 0.010 0.000 1.089 57 L CA 1.464 56.309 54.840 0.009 0.000 0.757 57 L CB -0.657 41.407 42.059 0.008 0.000 0.899 57 L HN 0.394 nan 8.230 nan 0.000 0.434 58 A N 0.147 122.974 122.820 0.010 0.000 1.840 58 A HA -0.203 4.105 4.320 -0.020 0.000 0.214 58 A C 2.444 180.035 177.584 0.011 0.000 1.198 58 A CA 2.148 54.192 52.037 0.011 0.000 0.608 58 A CB -1.110 17.896 19.000 0.011 0.000 0.839 58 A HN 0.474 nan 8.150 nan 0.000 0.443 59 T N -1.260 113.301 114.554 0.012 0.000 2.759 59 T HA -0.178 4.160 4.350 -0.020 0.000 0.269 59 T C 1.487 176.193 174.700 0.011 0.000 1.042 59 T CA 1.682 63.789 62.100 0.011 0.000 1.140 59 T CB -0.525 68.351 68.868 0.013 0.000 0.864 59 T HN 0.617 nan 8.240 nan 0.000 0.455 60 E N 1.411 121.617 120.200 0.010 0.000 2.347 60 E HA -0.046 4.292 4.350 -0.020 0.000 0.196 60 E C 1.940 178.547 176.600 0.011 0.000 1.008 60 E CA 0.827 57.233 56.400 0.010 0.000 0.852 60 E CB -0.040 29.665 29.700 0.010 0.000 0.783 60 E HN 0.795 nan 8.360 nan 0.000 0.505 61 K N 0.310 120.716 120.400 0.011 0.000 2.387 61 K HA 0.182 4.490 4.320 -0.020 0.000 0.203 61 K C 0.327 176.934 176.600 0.012 0.000 1.030 61 K CA -0.183 56.111 56.287 0.012 0.000 1.099 61 K CB 0.327 32.835 32.500 0.013 0.000 0.863 61 K HN -0.051 nan 8.250 nan 0.000 0.529 62 L N 2.057 123.287 121.223 0.011 0.000 2.467 62 L HA 0.118 4.445 4.340 -0.020 0.000 0.270 62 L C 0.361 177.238 176.870 0.011 0.000 1.205 62 L CA 0.027 54.872 54.840 0.010 0.000 0.828 62 L CB 0.704 42.767 42.059 0.007 0.000 1.101 62 L HN 0.254 nan 8.230 nan 0.000 0.479 63 E N 0.142 120.349 120.200 0.011 0.000 2.303 63 E HA 0.445 4.783 4.350 -0.020 0.000 0.254 63 E C 0.340 176.948 176.600 0.013 0.000 0.979 63 E CA 0.042 56.450 56.400 0.014 0.000 0.843 63 E CB 1.681 31.391 29.700 0.018 0.000 1.245 63 E HN 0.524 nan 8.360 nan 0.000 0.413 64 A N 0.540 123.369 122.820 0.015 0.000 2.014 64 A HA -0.098 4.210 4.320 -0.020 0.000 0.218 64 A C 1.732 179.327 177.584 0.019 0.000 1.163 64 A CA 1.035 53.081 52.037 0.016 0.000 0.652 64 A CB -0.404 18.607 19.000 0.018 0.000 0.808 64 A HN 0.588 nan 8.150 nan 0.000 0.449 65 E N 0.537 120.750 120.200 0.023 0.000 2.106 65 E HA -0.194 4.144 4.350 -0.020 0.000 0.192 65 E C 1.103 177.713 176.600 0.017 0.000 0.984 65 E CA 1.578 57.995 56.400 0.029 0.000 0.806 65 E CB -0.156 29.565 29.700 0.036 0.000 0.750 65 E HN 0.627 nan 8.360 nan 0.000 0.458 66 D N -0.479 119.927 120.400 0.010 0.000 2.194 66 D HA -0.031 4.597 4.640 -0.020 0.000 0.204 66 D C 2.005 178.295 176.300 -0.016 0.000 0.964 66 D CA 0.475 54.473 54.000 -0.003 0.000 0.846 66 D CB -0.101 40.699 40.800 -0.000 0.000 0.962 66 D HN 0.032 nan 8.370 nan 0.000 0.490 67 R N 0.390 120.884 120.500 -0.011 0.000 2.105 67 R HA -0.129 4.199 4.340 -0.020 0.000 0.239 67 R C 2.166 178.448 176.300 -0.031 0.000 1.135 67 R CA 1.061 57.150 56.100 -0.018 0.000 0.967 67 R CB -0.152 30.144 30.300 -0.007 0.000 0.861 67 R HN 0.360 nan 8.270 nan 0.000 0.442 68 Q N -0.021 119.764 119.800 -0.025 0.000 2.061 68 Q HA -0.181 4.147 4.340 -0.020 0.000 0.204 68 Q C 2.165 178.121 176.000 -0.074 0.000 0.984 68 Q CA 1.534 57.314 55.803 -0.038 0.000 0.846 68 Q CB -0.130 28.595 28.738 -0.021 0.000 0.902 68 Q HN 0.299 nan 8.270 nan 0.000 0.421 69 R N 0.297 120.748 120.500 -0.081 0.000 2.083 69 R HA -0.178 4.150 4.340 -0.020 0.000 0.237 69 R C 2.378 178.602 176.300 -0.127 0.000 1.137 69 R CA 1.212 57.247 56.100 -0.109 0.000 0.951 69 R CB -0.576 29.671 30.300 -0.088 0.000 0.851 69 R HN 0.260 nan 8.270 nan 0.000 0.434 70 A N 1.299 124.058 122.820 -0.101 0.000 1.884 70 A HA -0.263 4.045 4.320 -0.020 0.000 0.219 70 A C 2.389 179.884 177.584 -0.149 0.000 1.197 70 A CA 2.203 54.172 52.037 -0.114 0.000 0.637 70 A CB -0.888 18.068 19.000 -0.073 0.000 0.827 70 A HN 0.465 nan 8.150 nan 0.000 0.450 71 A N -1.383 121.367 122.820 -0.117 0.000 1.930 71 A HA -0.160 4.147 4.320 -0.020 0.000 0.217 71 A C 2.135 179.630 177.584 -0.148 0.000 1.175 71 A CA 1.582 53.549 52.037 -0.116 0.000 0.627 71 A CB -0.522 18.439 19.000 -0.066 0.000 0.815 71 A HN 0.672 nan 8.150 nan 0.000 0.443 72 Q N -0.883 118.832 119.800 -0.142 0.000 2.084 72 Q HA -0.116 4.212 4.340 -0.020 0.000 0.202 72 Q C 2.151 177.925 176.000 -0.376 0.000 0.978 72 Q CA 1.575 57.287 55.803 -0.151 0.000 0.844 72 Q CB -0.387 28.297 28.738 -0.090 0.000 0.898 72 Q HN 0.500 nan 8.270 nan 0.000 0.426 73 V N 0.619 120.304 119.914 -0.382 0.000 2.427 73 V HA -0.224 3.884 4.120 -0.020 0.000 0.248 73 V C 2.043 177.750 176.094 -0.645 0.000 1.051 73 V CA 1.785 63.744 62.300 -0.567 0.000 1.048 73 V CB -0.559 30.994 31.823 -0.451 0.000 0.666 73 V HN 0.408 nan 8.190 nan 0.000 0.456 74 A N -0.389 122.168 122.820 -0.438 0.000 1.873 74 A HA -0.298 4.010 4.320 -0.020 0.000 0.218 74 A C 2.306 179.671 177.584 -0.365 0.000 1.193 74 A CA 2.610 54.419 52.037 -0.381 0.000 0.629 74 A CB -0.677 18.169 19.000 -0.257 0.000 0.826 74 A HN 0.546 nan 8.150 nan 0.000 0.447 75 M N -0.820 118.575 119.600 -0.342 0.000 2.080 75 M HA -0.163 4.305 4.480 -0.020 0.000 0.260 75 M C 2.164 178.110 176.300 -0.590 0.000 1.068 75 M CA 1.765 56.828 55.300 -0.395 0.000 1.109 75 M CB -0.412 31.972 32.600 -0.360 0.000 1.342 75 M HN 0.486 nan 8.290 nan 0.000 0.405 76 I N -0.389 119.762 120.570 -0.698 0.000 2.113 76 I HA -0.284 3.873 4.170 -0.020 0.000 0.238 76 I C 2.602 178.465 176.117 -0.424 0.000 1.070 76 I CA 1.371 62.289 61.300 -0.637 0.000 1.332 76 I CB -0.662 36.890 38.000 -0.748 0.000 1.044 76 I HN 0.294 nan 8.210 nan 0.000 0.402 77 A N 1.023 123.436 122.820 -0.678 0.000 1.917 77 A HA -0.273 4.035 4.320 -0.020 0.000 0.219 77 A C 1.999 179.403 177.584 -0.300 0.000 1.182 77 A CA 2.381 54.086 52.037 -0.554 0.000 0.633 77 A CB -0.836 17.700 19.000 -0.775 0.000 0.819 77 A HN 0.461 nan 8.150 nan 0.000 0.448 78 N N -0.704 117.835 118.700 -0.269 0.000 2.084 78 N HA -0.081 4.647 4.740 -0.020 0.000 0.190 78 N C 1.479 176.925 175.510 -0.107 0.000 1.030 78 N CA 1.494 54.393 53.050 -0.252 0.000 0.849 78 N CB -0.678 37.794 38.487 -0.024 0.000 1.012 78 N HN 0.631 nan 8.380 nan 0.000 0.423 79 F N 0.281 120.175 119.950 -0.093 0.000 2.095 79 F HA -0.204 4.311 4.527 -0.021 0.000 0.298 79 F C 2.382 178.194 175.800 0.020 0.000 1.104 79 F CA 0.644 58.697 58.000 0.088 0.000 1.232 79 F CB -0.154 38.889 39.000 0.071 0.000 0.987 79 F HN 0.029 nan 8.300 nan 0.000 0.475 80 M N 0.914 120.600 119.600 0.143 0.000 2.159 80 M HA -0.063 4.404 4.480 -0.020 0.000 0.263 80 M C 2.237 178.525 176.300 -0.020 0.000 1.063 80 M CA 1.861 57.200 55.300 0.064 0.000 1.110 80 M CB -1.224 31.420 32.600 0.073 0.000 1.374 80 M HN 0.069 nan 8.290 nan 0.000 0.411 81 G N -0.621 108.087 108.800 -0.155 0.000 2.491 81 G HA2 -0.249 3.698 3.960 -0.020 0.000 0.218 81 G HA3 -0.249 3.698 3.960 -0.020 0.000 0.218 81 G C 1.239 176.006 174.900 -0.222 0.000 1.180 81 G CA 1.184 46.113 45.100 -0.285 0.000 0.774 81 G HN 0.486 nan 8.290 nan 0.000 0.562 82 F N 0.688 120.613 119.950 -0.041 0.000 2.171 82 F HA 0.088 4.603 4.527 -0.020 0.000 0.300 82 F C 2.687 178.467 175.800 -0.033 0.000 1.090 82 F CA 1.092 59.060 58.000 -0.053 0.000 1.293 82 F CB -0.643 38.292 39.000 -0.108 0.000 1.013 82 F HN 0.010 nan 8.300 nan 0.000 0.486 83 R N 0.008 120.591 120.500 0.138 0.000 2.083 83 R HA -0.166 4.162 4.340 -0.020 0.000 0.237 83 R C 2.094 178.408 176.300 0.024 0.000 1.137 83 R CA 1.626 57.764 56.100 0.064 0.000 0.951 83 R CB -0.339 29.994 30.300 0.055 0.000 0.851 83 R HN 0.080 nan 8.270 nan 0.000 0.434 84 M N -1.377 118.226 119.600 0.005 0.000 2.349 84 M HA -0.069 4.399 4.480 -0.020 0.000 0.266 84 M C 1.762 178.008 176.300 -0.091 0.000 1.076 84 M CA 1.077 56.345 55.300 -0.053 0.000 1.126 84 M CB -0.704 31.859 32.600 -0.061 0.000 1.392 84 M HN 0.174 nan 8.290 nan 0.000 0.440 85 Y N 1.483 121.686 120.300 -0.162 0.000 2.293 85 Y HA -0.208 4.329 4.550 -0.020 0.000 0.291 85 Y C 2.500 178.324 175.900 -0.126 0.000 1.137 85 Y CA 1.817 59.811 58.100 -0.176 0.000 1.202 85 Y CB -0.140 38.233 38.460 -0.146 0.000 0.990 85 Y HN 0.187 nan 8.280 nan 0.000 0.537 86 K N -0.718 119.670 120.400 -0.020 0.000 2.097 86 K HA -0.163 4.145 4.320 -0.020 0.000 0.205 86 K C 1.793 178.312 176.600 -0.135 0.000 1.050 86 K CA 1.465 57.701 56.287 -0.085 0.000 0.938 86 K CB -0.044 32.432 32.500 -0.041 0.000 0.718 86 K HN 0.235 nan 8.250 nan 0.000 0.442 87 M N 0.631 120.157 119.600 -0.124 0.000 2.156 87 M HA -0.102 4.366 4.480 -0.020 0.000 0.264 87 M C 2.189 178.383 176.300 -0.176 0.000 1.067 87 M CA 0.976 56.202 55.300 -0.124 0.000 1.131 87 M CB -0.981 31.563 32.600 -0.094 0.000 1.368 87 M HN 0.199 nan 8.290 nan 0.000 0.416 88 L N 0.241 121.303 121.223 -0.269 0.000 2.046 88 L HA -0.128 4.200 4.340 -0.020 0.000 0.208 88 L C 2.440 179.116 176.870 -0.323 0.000 1.077 88 L CA 1.728 56.367 54.840 -0.334 0.000 0.747 88 L CB -0.796 40.963 42.059 -0.500 0.000 0.896 88 L HN 0.201 nan 8.230 nan 0.000 0.432 89 S N -0.356 115.103 115.700 -0.402 0.000 2.353 89 S HA -0.242 4.215 4.470 -0.020 0.000 0.222 89 S C 1.789 176.277 174.600 -0.186 0.000 1.035 89 S CA 1.851 59.855 58.200 -0.327 0.000 1.025 89 S CB -0.370 62.644 63.200 -0.309 0.000 0.902 89 S HN 0.571 nan 8.310 nan 0.000 0.440 90 E N 1.053 121.163 120.200 -0.150 0.000 2.072 90 E HA -0.046 4.291 4.350 -0.020 0.000 0.191 90 E C 2.324 178.873 176.600 -0.084 0.000 0.985 90 E CA 0.918 57.259 56.400 -0.098 0.000 0.801 90 E CB -0.250 29.403 29.700 -0.079 0.000 0.750 90 E HN 0.488 nan 8.360 nan 0.000 0.452 91 A N 1.139 123.902 122.820 -0.095 0.000 1.825 91 A HA -0.107 4.200 4.320 -0.020 0.000 0.214 91 A C 0.698 178.247 177.584 -0.058 0.000 1.206 91 A CA 1.283 53.278 52.037 -0.069 0.000 0.609 91 A CB -0.343 18.616 19.000 -0.069 0.000 0.851 91 A HN 0.185 nan 8.150 nan 0.000 0.445 95 A N 0.709 123.534 122.820 0.009 0.000 2.172 95 A HA 0.044 4.351 4.320 -0.020 0.000 0.216 95 A C 2.023 179.626 177.584 0.032 0.000 1.154 95 A CA 2.234 54.282 52.037 0.019 0.000 0.701 95 A CB -0.581 18.428 19.000 0.015 0.000 0.789 95 A HN 0.653 nan 8.150 nan 0.000 0.465 96 S N -1.486 114.231 115.700 0.030 0.000 2.501 96 S HA 0.395 4.853 4.470 -0.020 0.000 0.220 96 S C 1.287 175.909 174.600 0.038 0.000 0.997 96 S CA 0.793 59.015 58.200 0.037 0.000 0.919 96 S CB -0.174 63.048 63.200 0.038 0.000 0.778 96 S HN 1.491 nan 8.310 nan 0.000 0.523 97 G N 1.136 109.953 108.800 0.028 0.000 2.499 97 G HA2 0.173 4.120 3.960 -0.020 0.000 0.232 97 G HA3 0.173 4.120 3.960 -0.020 0.000 0.232 97 G C -0.382 174.535 174.900 0.028 0.000 1.251 97 G CA -0.421 44.694 45.100 0.026 0.000 0.917 97 G HN 1.104 nan 8.290 nan 0.000 0.580 98 A N -1.775 121.079 122.820 0.056 0.000 2.602 98 A HA 1.118 5.426 4.320 -0.020 0.000 0.290 98 A C -0.253 177.413 177.584 0.136 0.000 1.114 98 A CA 0.578 52.655 52.037 0.066 0.000 0.683 98 A CB 1.636 20.612 19.000 -0.040 0.000 1.281 98 A HN 2.543 nan 8.150 nan 0.000 0.416 99 V N -1.609 118.400 119.914 0.159 0.000 3.000 99 V HA 0.873 4.981 4.120 -0.020 0.000 0.300 99 V C -1.366 174.842 176.094 0.192 0.000 1.251 99 V CA -0.573 61.824 62.300 0.163 0.000 0.972 99 V CB 1.173 33.141 31.823 0.242 0.000 1.065 99 V HN 1.804 nan 8.190 nan 0.000 0.431 100 L N 2.646 123.944 121.223 0.126 0.000 2.526 100 L HA 0.802 5.130 4.340 -0.020 0.000 0.263 100 L C -0.681 176.192 176.870 0.005 0.000 0.943 100 L CA -0.133 54.776 54.840 0.115 0.000 0.859 100 L CB 2.290 44.370 42.059 0.035 0.000 1.313 100 L HN 1.012 nan 8.230 nan 0.000 0.406 101 S N 5.113 120.818 115.700 0.009 0.000 2.474 101 S HA 0.491 4.949 4.470 -0.020 0.000 0.320 101 S C -1.973 172.494 174.600 -0.223 0.000 1.067 101 S CA -1.536 56.471 58.200 -0.320 0.000 1.127 101 S CB 1.087 64.043 63.200 -0.406 0.000 0.971 101 S HN 0.562 nan 8.310 nan 0.000 0.472 102 P HA -0.023 nan 4.420 nan 0.000 0.216 102 P C -1.726 175.478 177.300 -0.161 0.000 1.150 102 P CA 1.007 63.962 63.100 -0.242 0.000 0.837 102 P CB -0.655 30.818 31.700 -0.378 0.000 0.786 103 P HA -0.118 nan 4.420 nan 0.000 0.216 103 P C 1.509 178.863 177.300 0.091 0.000 1.153 103 P CA 1.810 64.850 63.100 -0.101 0.000 0.848 103 P CB -0.595 30.995 31.700 -0.182 0.000 0.787 104 A N 0.449 123.316 122.820 0.079 0.000 1.858 104 A HA -0.165 4.143 4.320 -0.020 0.000 0.216 104 A C 2.142 179.832 177.584 0.178 0.000 1.190 104 A CA 1.384 53.562 52.037 0.235 0.000 0.617 104 A CB -1.798 17.313 19.000 0.185 0.000 0.827 104 A HN 0.151 nan 8.150 nan 0.000 0.443 105 L N -1.170 120.123 121.223 0.117 0.000 2.079 105 L HA -0.169 4.159 4.340 -0.020 0.000 0.210 105 L C 2.231 179.129 176.870 0.047 0.000 1.081 105 L CA 2.570 57.474 54.840 0.108 0.000 0.752 105 L CB -0.956 41.175 42.059 0.120 0.000 0.896 105 L HN 0.497 nan 8.230 nan 0.000 0.433 106 F N 0.811 120.695 119.950 -0.110 0.000 2.084 106 F HA -0.035 4.481 4.527 -0.019 0.000 0.296 106 F C 2.339 177.994 175.800 -0.241 0.000 1.111 106 F CA 1.713 59.612 58.000 -0.168 0.000 1.224 106 F CB -0.569 38.314 39.000 -0.196 0.000 0.991 106 F HN 0.112 nan 8.300 nan 0.000 0.471 107 G N -0.522 108.094 108.800 -0.306 0.000 2.469 107 G HA2 -0.285 3.662 3.960 -0.020 0.000 0.219 107 G HA3 -0.285 3.662 3.960 -0.020 0.000 0.219 107 G C 1.579 175.933 174.900 -0.910 0.000 1.150 107 G CA 1.500 46.074 45.100 -0.876 0.000 0.763 107 G HN 0.408 nan 8.290 nan 0.000 0.561 108 T N 1.455 115.728 114.554 -0.469 0.000 2.665 108 T HA -0.111 4.227 4.350 -0.020 0.000 0.268 108 T C 2.411 176.938 174.700 -0.287 0.000 1.035 108 T CA 1.239 63.172 62.100 -0.279 0.000 1.151 108 T CB -0.256 68.597 68.868 -0.025 0.000 0.862 108 T HN 0.188 nan 8.240 nan 0.000 0.438 109 L N 0.657 121.718 121.223 -0.270 0.000 2.017 109 L HA -0.077 4.250 4.340 -0.020 0.000 0.208 109 L C 2.724 179.441 176.870 -0.255 0.000 1.073 109 L CA 0.948 55.660 54.840 -0.214 0.000 0.745 109 L CB -0.747 41.157 42.059 -0.258 0.000 0.894 109 L HN 0.143 nan 8.230 nan 0.000 0.432 110 V N -1.087 118.519 119.914 -0.514 0.000 2.490 110 V HA -0.250 3.858 4.120 -0.020 0.000 0.250 110 V C 2.572 178.561 176.094 -0.175 0.000 1.061 110 V CA 1.806 63.862 62.300 -0.408 0.000 1.064 110 V CB -0.470 30.964 31.823 -0.648 0.000 0.670 110 V HN 0.357 nan 8.190 nan 0.000 0.461 111 S N -0.071 115.450 115.700 -0.299 0.000 2.359 111 S HA -0.176 4.282 4.470 -0.020 0.000 0.224 111 S C 1.774 176.319 174.600 -0.092 0.000 1.035 111 S CA 1.780 59.861 58.200 -0.198 0.000 1.018 111 S CB -0.454 62.565 63.200 -0.301 0.000 0.876 111 S HN 0.534 nan 8.310 nan 0.000 0.448 112 F N 0.311 120.141 119.950 -0.201 0.000 2.171 112 F HA -0.052 4.461 4.527 -0.023 0.000 0.300 112 F C 2.165 177.940 175.800 -0.041 0.000 1.090 112 F CA 0.894 58.809 58.000 -0.142 0.000 1.293 112 F CB -0.710 38.151 39.000 -0.232 0.000 1.013 112 F HN 0.249 nan 8.300 nan 0.000 0.486 113 Y N 0.569 120.893 120.300 0.040 0.000 2.097 113 Y HA -0.236 4.302 4.550 -0.020 0.000 0.282 113 Y C 2.071 178.004 175.900 0.055 0.000 1.152 113 Y CA 1.604 59.709 58.100 0.008 0.000 1.136 113 Y CB -0.717 37.701 38.460 -0.070 0.000 0.975 113 Y HN -0.006 nan 8.280 nan 0.000 0.498 114 L N -0.334 120.914 121.223 0.041 0.000 2.261 114 L HA -0.153 4.175 4.340 -0.020 0.000 0.216 114 L C 1.954 178.913 176.870 0.149 0.000 1.114 114 L CA 1.250 56.124 54.840 0.057 0.000 0.777 114 L CB -0.689 41.486 42.059 0.193 0.000 0.910 114 L HN 0.484 nan 8.230 nan 0.000 0.440 115 G N -1.267 107.596 108.800 0.104 0.000 3.690 115 G HA2 0.148 4.096 3.960 -0.020 0.000 0.283 115 G HA3 0.148 4.096 3.960 -0.020 0.000 0.283 115 G C 0.129 174.897 174.900 -0.220 0.000 1.057 115 G CA 0.179 45.127 45.100 -0.253 0.000 0.821 115 G HN 0.296 nan 8.290 nan 0.000 0.526 116 S N -0.214 115.384 115.700 -0.169 0.000 2.503 116 S HA 0.787 5.245 4.470 -0.020 0.000 0.301 116 S C -0.422 174.092 174.600 -0.143 0.000 1.087 116 S CA -0.754 57.368 58.200 -0.129 0.000 1.042 116 S CB 2.327 65.483 63.200 -0.073 0.000 1.043 116 S HN 0.040 nan 8.310 nan 0.000 0.489 117 L N 1.487 122.659 121.223 -0.085 0.000 2.416 117 L HA 0.425 4.753 4.340 -0.020 0.000 0.263 117 L C 1.625 178.478 176.870 -0.029 0.000 1.065 117 L CA -0.758 54.047 54.840 -0.060 0.000 0.798 117 L CB 0.534 42.566 42.059 -0.044 0.000 1.267 117 L HN 0.793 nan 8.230 nan 0.000 0.467 118 D N 0.608 121.003 120.400 -0.010 0.000 2.347 118 D HA -0.209 4.419 4.640 -0.020 0.000 0.189 118 D C -0.804 175.510 176.300 0.025 0.000 1.020 118 D CA 2.328 56.337 54.000 0.016 0.000 0.875 118 D CB -0.716 40.093 40.800 0.016 0.000 0.928 118 D HN 0.338 nan 8.370 nan 0.000 0.454 119 P HA -0.027 nan 4.420 nan 0.000 0.214 119 P C 1.408 178.720 177.300 0.019 0.000 1.162 119 P CA 1.867 64.975 63.100 0.014 0.000 0.874 119 P CB -0.201 31.501 31.700 0.003 0.000 0.784 120 T N -0.742 113.818 114.554 0.010 0.000 2.951 120 T HA 0.006 4.344 4.350 -0.020 0.000 0.268 120 T C 1.880 176.614 174.700 0.056 0.000 1.073 120 T CA 1.226 63.334 62.100 0.013 0.000 1.134 120 T CB -0.798 68.065 68.868 -0.008 0.000 0.884 120 T HN 0.032 nan 8.240 nan 0.000 0.479 121 A N 2.437 125.296 122.820 0.066 0.000 1.845 121 A HA -0.127 4.180 4.320 -0.020 0.000 0.215 121 A C 2.614 180.358 177.584 0.266 0.000 1.195 121 A CA 2.191 54.325 52.037 0.161 0.000 0.616 121 A CB -1.059 17.974 19.000 0.056 0.000 0.832 121 A HN 0.587 nan 8.150 nan 0.000 0.443 122 S N -0.314 115.485 115.700 0.165 0.000 2.399 122 S HA -0.241 4.217 4.470 -0.020 0.000 0.231 122 S C 1.962 176.608 174.600 0.076 0.000 1.022 122 S CA 1.396 59.672 58.200 0.126 0.000 0.983 122 S CB -0.563 62.693 63.200 0.094 0.000 0.803 122 S HN 0.668 nan 8.310 nan 0.000 0.480 123 Q N 1.031 120.868 119.800 0.061 0.000 2.030 123 Q HA -0.022 4.306 4.340 -0.020 0.000 0.204 123 Q C 2.293 178.306 176.000 0.021 0.000 0.986 123 Q CA 1.701 57.523 55.803 0.032 0.000 0.843 123 Q CB -0.505 28.243 28.738 0.017 0.000 0.904 123 Q HN 0.517 nan 8.270 nan 0.000 0.420 124 L N 0.416 121.665 121.223 0.043 0.000 2.046 124 L HA -0.260 4.068 4.340 -0.020 0.000 0.208 124 L C 2.695 179.528 176.870 -0.061 0.000 1.077 124 L CA 1.425 56.274 54.840 0.015 0.000 0.747 124 L CB -0.411 41.706 42.059 0.098 0.000 0.896 124 L HN 0.329 nan 8.230 nan 0.000 0.432 125 Q N -0.091 119.668 119.800 -0.069 0.000 2.002 125 Q HA -0.212 4.115 4.340 -0.020 0.000 0.204 125 Q C 2.213 178.148 176.000 -0.108 0.000 0.988 125 Q CA 2.520 58.202 55.803 -0.202 0.000 0.843 125 Q CB -0.087 28.567 28.738 -0.141 0.000 0.908 125 Q HN 0.325 nan 8.270 nan 0.000 0.420 126 V N 1.235 121.130 119.914 -0.032 0.000 2.427 126 V HA -0.235 3.872 4.120 -0.020 0.000 0.248 126 V C 2.372 178.470 176.094 0.006 0.000 1.051 126 V CA 1.401 63.702 62.300 0.000 0.000 1.048 126 V CB -0.800 31.036 31.823 0.022 0.000 0.666 126 V HN 0.466 nan 8.190 nan 0.000 0.456 127 L N 0.162 121.381 121.223 -0.005 0.000 2.013 127 L HA -0.195 4.133 4.340 -0.020 0.000 0.212 127 L C 2.157 179.026 176.870 -0.000 0.000 1.073 127 L CA 2.024 56.864 54.840 -0.001 0.000 0.753 127 L CB -0.688 41.360 42.059 -0.017 0.000 0.890 127 L HN 0.237 nan 8.230 nan 0.000 0.432 128 L N -1.019 120.181 121.223 -0.039 0.000 2.275 128 L HA 0.062 4.390 4.340 -0.020 0.000 0.215 128 L C 1.826 178.669 176.870 -0.046 0.000 1.119 128 L CA 0.885 55.705 54.840 -0.033 0.000 0.790 128 L CB -0.562 41.446 42.059 -0.085 0.000 0.919 128 L HN 0.666 nan 8.230 nan 0.000 0.443 129 G N -1.127 107.665 108.800 -0.013 0.000 2.255 129 G HA2 -0.204 3.744 3.960 -0.020 0.000 0.196 129 G HA3 -0.204 3.744 3.960 -0.020 0.000 0.196 129 G C 0.153 175.157 174.900 0.174 0.000 0.998 129 G CA -0.174 44.975 45.100 0.082 0.000 0.656 129 G HN 0.017 nan 8.290 nan 0.000 0.490 130 V N 2.979 122.902 119.914 0.015 0.000 2.427 130 V HA 0.417 4.525 4.120 -0.020 0.000 0.268 130 V C -1.597 174.490 176.094 -0.012 0.000 1.046 130 V CA -1.341 60.951 62.300 -0.013 0.000 0.970 130 V CB 1.133 32.771 31.823 -0.308 0.000 1.001 130 V HN 0.116 nan 8.190 nan 0.000 0.476 131 P HA 0.161 nan 4.420 nan 0.000 0.269 131 P C -0.646 176.722 177.300 0.114 0.000 1.209 131 P CA -0.063 63.038 63.100 0.001 0.000 0.776 131 P CB 0.621 32.229 31.700 -0.153 0.000 0.876 132 V N 3.695 123.653 119.914 0.074 0.000 2.284 132 V HA 0.182 4.290 4.120 -0.020 0.000 0.274 132 V C 0.404 176.527 176.094 0.047 0.000 1.023 132 V CA -0.537 61.818 62.300 0.091 0.000 0.808 132 V CB 0.505 32.381 31.823 0.088 0.000 1.035 132 V HN 0.411 nan 8.190 nan 0.000 0.445 133 K N 3.998 124.412 120.400 0.023 0.000 2.095 133 K HA 0.196 4.504 4.320 -0.020 0.000 0.258 133 K C 0.397 177.007 176.600 0.016 0.000 1.120 133 K CA -0.067 56.222 56.287 0.004 0.000 1.026 133 K CB 0.417 32.901 32.500 -0.026 0.000 1.256 133 K HN 0.658 nan 8.250 nan 0.000 0.360 134 E N 0.335 120.550 120.200 0.026 0.000 2.604 134 E HA -0.151 4.187 4.350 -0.020 0.000 0.267 134 E C 1.083 177.700 176.600 0.027 0.000 0.970 134 E CA 1.101 57.521 56.400 0.033 0.000 0.956 134 E CB 0.336 30.054 29.700 0.030 0.000 0.939 134 E HN 0.866 nan 8.360 nan 0.000 0.465 135 G N 2.761 111.582 108.800 0.035 0.000 2.175 135 G HA2 -0.199 3.749 3.960 -0.020 0.000 0.244 135 G HA3 -0.199 3.749 3.960 -0.020 0.000 0.244 135 G C -0.327 174.589 174.900 0.028 0.000 0.982 135 G CA 0.201 45.318 45.100 0.028 0.000 0.641 135 G HN 0.541 nan 8.290 nan 0.000 0.527 136 D N -0.941 119.480 120.400 0.034 0.000 2.326 136 D HA 0.627 5.255 4.640 -0.020 0.000 0.251 136 D C 1.478 177.818 176.300 0.068 0.000 1.023 136 D CA 0.053 54.072 54.000 0.032 0.000 0.966 136 D CB 1.231 42.035 40.800 0.007 0.000 1.156 136 D HN 0.532 nan 8.370 nan 0.000 0.494 137 c N -1.682 116.959 118.600 0.068 0.000 2.820 137 c HA 0.081 4.639 4.570 -0.020 0.000 0.323 137 c C 2.059 176.268 174.090 0.197 0.000 1.279 137 c CA 0.653 57.053 56.329 0.117 0.000 1.790 137 c CB -0.959 41.569 42.510 0.030 0.000 2.328 137 c HN 0.694 nan 8.230 nan 0.000 0.579 138 T N -0.008 114.613 114.554 0.112 0.000 3.118 138 T HA 0.004 4.342 4.350 -0.020 0.000 0.260 138 T C 1.373 176.059 174.700 -0.023 0.000 1.139 138 T CA 1.428 63.590 62.100 0.105 0.000 1.085 138 T CB -0.646 68.240 68.868 0.029 0.000 0.934 138 T HN 0.783 nan 8.240 nan 0.000 0.518 139 S N 0.056 115.747 115.700 -0.015 0.000 2.575 139 S HA 0.362 4.820 4.470 -0.020 0.000 0.237 139 S C 0.537 175.323 174.600 0.311 0.000 0.975 139 S CA -0.956 57.183 58.200 -0.103 0.000 0.960 139 S CB 0.037 63.167 63.200 -0.115 0.000 0.822 139 S HN 0.224 nan 8.310 nan 0.000 0.472 140 R N 1.014 121.746 120.500 0.387 0.000 2.598 140 R HA 0.403 4.731 4.340 -0.020 0.000 0.279 140 R C -0.491 175.964 176.300 0.259 0.000 0.984 140 R CA -0.790 55.540 56.100 0.384 0.000 0.999 140 R CB 1.247 31.828 30.300 0.468 0.000 1.114 140 R HN 0.371 nan 8.270 nan 0.000 0.493 141 L N 2.368 123.612 121.223 0.036 0.000 2.410 141 L HA 0.026 4.354 4.340 -0.020 0.000 0.273 141 L C 0.195 176.777 176.870 -0.480 0.000 1.144 141 L CA 0.012 54.664 54.840 -0.313 0.000 0.863 141 L CB 0.491 42.141 42.059 -0.682 0.000 1.140 141 L HN 0.433 nan 8.230 nan 0.000 0.463 142 D N 4.011 123.990 120.400 -0.701 0.000 2.470 142 D HA 0.081 4.708 4.640 -0.020 0.000 0.226 142 D C 1.133 177.282 176.300 -0.251 0.000 1.196 142 D CA 0.247 53.735 54.000 -0.854 0.000 0.979 142 D CB 1.320 41.784 40.800 -0.559 0.000 1.059 142 D HN 0.744 nan 8.370 nan 0.000 0.515 143 G N 2.295 111.086 108.800 -0.015 0.000 2.469 143 G HA2 -0.341 3.607 3.960 -0.020 0.000 0.219 143 G HA3 -0.341 3.607 3.960 -0.020 0.000 0.219 143 G C 1.420 176.366 174.900 0.076 0.000 1.150 143 G CA 0.943 46.104 45.100 0.102 0.000 0.763 143 G HN 0.595 nan 8.290 nan 0.000 0.561 144 H N 0.418 119.513 119.070 0.041 0.000 2.389 144 H HA 0.104 4.648 4.556 -0.021 0.000 0.299 144 H C 2.569 177.911 175.328 0.023 0.000 1.081 144 H CA 1.686 57.760 56.048 0.045 0.000 1.345 144 H CB 0.005 29.817 29.762 0.083 0.000 1.393 144 H HN 0.298 nan 8.280 nan 0.000 0.520 145 K N -0.519 119.898 120.400 0.028 0.000 2.057 145 K HA -0.110 4.198 4.320 -0.020 0.000 0.207 145 K C 2.155 178.709 176.600 -0.077 0.000 1.049 145 K CA 1.355 57.623 56.287 -0.031 0.000 0.931 145 K CB -0.052 32.443 32.500 -0.008 0.000 0.714 145 K HN 0.119 nan 8.250 nan 0.000 0.440 146 V N 1.987 121.855 119.914 -0.076 0.000 2.261 146 V HA -0.265 3.842 4.120 -0.020 0.000 0.246 146 V C 2.275 178.357 176.094 -0.020 0.000 1.047 146 V CA 1.667 63.939 62.300 -0.047 0.000 1.015 146 V CB -0.473 31.328 31.823 -0.038 0.000 0.642 146 V HN 0.291 nan 8.190 nan 0.000 0.446 147 L N 0.634 121.823 121.223 -0.057 0.000 2.043 147 L HA -0.222 4.106 4.340 -0.020 0.000 0.212 147 L C 2.835 179.680 176.870 -0.042 0.000 1.075 147 L CA 2.244 57.059 54.840 -0.042 0.000 0.752 147 L CB -1.333 40.688 42.059 -0.064 0.000 0.891 147 L HN 0.629 nan 8.230 nan 0.000 0.432 148 T N -2.484 111.990 114.554 -0.134 0.000 2.746 148 T HA -0.134 4.204 4.350 -0.020 0.000 0.267 148 T C 1.957 176.627 174.700 -0.050 0.000 1.039 148 T CA 0.968 63.003 62.100 -0.107 0.000 1.142 148 T CB -0.426 68.349 68.868 -0.155 0.000 0.866 148 T HN 0.326 nan 8.240 nan 0.000 0.444 149 A N 1.314 124.102 122.820 -0.054 0.000 1.933 149 A HA 0.162 4.469 4.320 -0.020 0.000 0.218 149 A C 2.307 179.863 177.584 -0.046 0.000 1.175 149 A CA 1.398 53.403 52.037 -0.053 0.000 0.628 149 A CB -0.847 18.107 19.000 -0.076 0.000 0.814 149 A HN 0.461 nan 8.150 nan 0.000 0.444 150 L N -0.302 120.914 121.223 -0.010 0.000 2.093 150 L HA -0.137 4.191 4.340 -0.020 0.000 0.208 150 L C 2.412 179.315 176.870 0.055 0.000 1.085 150 L CA 2.356 57.209 54.840 0.021 0.000 0.755 150 L CB -0.640 41.496 42.059 0.128 0.000 0.904 150 L HN 0.573 nan 8.230 nan 0.000 0.435 151 Q N -0.935 118.900 119.800 0.059 0.000 2.181 151 Q HA -0.218 4.109 4.340 -0.020 0.000 0.205 151 Q C 2.088 178.111 176.000 0.039 0.000 0.980 151 Q CA 1.497 57.336 55.803 0.060 0.000 0.862 151 Q CB -0.098 28.662 28.738 0.037 0.000 0.905 151 Q HN 0.685 nan 8.270 nan 0.000 0.429 152 A N 0.169 122.998 122.820 0.015 0.000 1.835 152 A HA -0.195 4.113 4.320 -0.020 0.000 0.215 152 A C 2.201 179.800 177.584 0.024 0.000 1.199 152 A CA 2.058 54.100 52.037 0.008 0.000 0.615 152 A CB -1.309 17.683 19.000 -0.014 0.000 0.838 152 A HN 0.410 nan 8.150 nan 0.000 0.444 153 V N -1.851 118.069 119.914 0.010 0.000 2.282 153 V HA -0.386 3.722 4.120 -0.020 0.000 0.249 153 V C 2.257 178.463 176.094 0.187 0.000 1.057 153 V CA 2.486 64.811 62.300 0.041 0.000 1.032 153 V CB -1.594 30.176 31.823 -0.087 0.000 0.645 153 V HN 0.630 nan 8.190 nan 0.000 0.447 154 Q N 1.060 120.961 119.800 0.168 0.000 2.096 154 Q HA -0.108 4.219 4.340 -0.020 0.000 0.204 154 Q C 2.464 178.532 176.000 0.113 0.000 0.982 154 Q CA 1.982 57.905 55.803 0.200 0.000 0.850 154 Q CB -0.724 28.104 28.738 0.149 0.000 0.901 154 Q HN 0.790 nan 8.270 nan 0.000 0.422 155 G N 0.905 109.749 108.800 0.074 0.000 2.418 155 G HA2 -0.230 3.718 3.960 -0.020 0.000 0.217 155 G HA3 -0.230 3.718 3.960 -0.020 0.000 0.217 155 G C 1.373 176.291 174.900 0.029 0.000 1.158 155 G CA 0.563 45.688 45.100 0.041 0.000 0.771 155 G HN 0.196 nan 8.290 nan 0.000 0.545 156 L N -0.187 121.057 121.223 0.036 0.000 2.191 156 L HA 0.011 4.339 4.340 -0.020 0.000 0.212 156 L C 2.600 179.467 176.870 -0.004 0.000 1.103 156 L CA 0.142 54.996 54.840 0.023 0.000 0.769 156 L CB -0.281 41.797 42.059 0.032 0.000 0.908 156 L HN 0.207 nan 8.230 nan 0.000 0.438 157 L N 0.095 121.289 121.223 -0.049 0.000 2.131 157 L HA -0.105 4.222 4.340 -0.020 0.000 0.210 157 L C 1.764 178.610 176.870 -0.040 0.000 1.092 157 L CA 1.538 56.285 54.840 -0.154 0.000 0.759 157 L CB -0.067 41.746 42.059 -0.411 0.000 0.903 157 L HN 0.193 nan 8.230 nan 0.000 0.435 158 V N -3.525 116.377 119.914 -0.021 0.000 3.121 158 V HA 0.419 4.527 4.120 -0.020 0.000 0.344 158 V C 0.279 176.363 176.094 -0.017 0.000 1.390 158 V CA 0.284 62.568 62.300 -0.027 0.000 1.177 158 V CB -1.156 30.649 31.823 -0.030 0.000 1.163 158 V HN 0.453 nan 8.190 nan 0.000 0.484 169 L N 1.457 122.602 121.223 -0.129 0.000 2.365 169 L HA 0.606 4.934 4.340 -0.020 0.000 0.273 169 L C -0.726 175.956 176.870 -0.314 0.000 1.000 169 L CA -0.370 54.311 54.840 -0.265 0.000 0.819 169 L CB 1.865 43.829 42.059 -0.157 0.000 1.284 169 L HN 0.325 nan 8.230 nan 0.000 0.418 170 L N 2.525 123.430 121.223 -0.531 0.000 2.346 170 L HA 0.701 5.029 4.340 -0.020 0.000 0.274 170 L C -0.758 175.835 176.870 -0.461 0.000 1.007 170 L CA -0.669 53.929 54.840 -0.403 0.000 0.818 170 L CB 2.008 43.857 42.059 -0.350 0.000 1.284 170 L HN 0.586 nan 8.230 nan 0.000 0.424 171 Q N 1.932 121.624 119.800 -0.180 0.000 2.709 171 Q HA 0.336 4.664 4.340 -0.020 0.000 0.232 171 Q C -1.723 174.307 176.000 0.051 0.000 0.856 171 Q CA -0.110 55.685 55.803 -0.013 0.000 0.788 171 Q CB 1.815 30.637 28.738 0.139 0.000 1.386 171 Q HN 0.551 nan 8.270 nan 0.000 0.453 172 S N 2.026 117.774 115.700 0.081 0.000 2.451 172 S HA 0.760 5.217 4.470 -0.020 0.000 0.301 172 S C -0.707 174.048 174.600 0.258 0.000 1.116 172 S CA -0.410 57.924 58.200 0.224 0.000 1.093 172 S CB 1.275 64.762 63.200 0.478 0.000 1.017 172 S HN 0.610 nan 8.310 nan 0.000 0.482 173 T N 0.150 114.810 114.554 0.176 0.000 2.840 173 T HA 0.686 5.024 4.350 -0.020 0.000 0.287 173 T C -0.539 174.186 174.700 0.041 0.000 0.991 173 T CA -0.811 61.359 62.100 0.117 0.000 0.964 173 T CB 0.728 69.556 68.868 -0.068 0.000 0.954 173 T HN 0.546 nan 8.240 nan 0.000 0.438 174 V N 1.304 121.314 119.914 0.160 0.000 2.656 174 V HA 0.894 5.002 4.120 -0.020 0.000 0.307 174 V C -0.782 175.383 176.094 0.118 0.000 1.051 174 V CA -0.941 61.404 62.300 0.075 0.000 0.893 174 V CB 1.763 33.672 31.823 0.143 0.000 0.999 174 V HN 0.786 nan 8.190 nan 0.000 0.426 175 V N 4.232 124.123 119.914 -0.039 0.000 2.370 175 V HA 0.743 4.851 4.120 -0.020 0.000 0.283 175 V C 0.979 177.015 176.094 -0.096 0.000 1.023 175 V CA 0.295 62.555 62.300 -0.066 0.000 0.857 175 V CB 1.373 33.077 31.823 -0.198 0.000 0.985 175 V HN 1.238 nan 8.190 nan 0.000 0.443 176 G N 4.203 112.966 108.800 -0.061 0.000 2.325 176 G HA2 0.548 4.495 3.960 -0.020 0.000 0.298 176 G HA3 0.548 4.495 3.960 -0.020 0.000 0.298 176 G C -0.906 173.527 174.900 -0.779 0.000 1.134 176 G CA -0.308 44.535 45.100 -0.427 0.000 0.876 176 G HN 0.529 nan 8.290 nan 0.000 0.452 177 L N 3.652 124.434 121.223 -0.736 0.000 2.502 177 L HA 0.468 4.795 4.340 -0.020 0.000 0.247 177 L C -0.959 175.747 176.870 -0.274 0.000 1.180 177 L CA -0.954 53.618 54.840 -0.446 0.000 0.956 177 L CB 0.104 41.998 42.059 -0.274 0.000 1.282 177 L HN 0.385 nan 8.230 nan 0.000 0.470 178 F N 1.072 121.085 119.950 0.106 0.000 2.423 178 F HA 0.348 4.863 4.527 -0.020 0.000 0.356 178 F C 1.431 177.215 175.800 -0.026 0.000 1.170 178 F CA -0.673 57.334 58.000 0.012 0.000 1.163 178 F CB -0.255 38.732 39.000 -0.022 0.000 1.318 178 F HN 0.352 nan 8.300 nan 0.000 0.569 179 T N -0.139 114.476 114.554 0.101 0.000 2.816 179 T HA 0.763 5.101 4.350 -0.020 0.000 0.282 179 T C 0.445 175.138 174.700 -0.011 0.000 0.993 179 T CA -0.766 61.355 62.100 0.036 0.000 0.994 179 T CB 1.382 70.241 68.868 -0.016 0.000 1.025 179 T HN 0.579 nan 8.240 nan 0.000 0.529 180 A N 1.454 124.262 122.820 -0.020 0.000 2.259 180 A HA 0.647 4.955 4.320 -0.020 0.000 0.278 180 A C -2.400 175.159 177.584 -0.041 0.000 1.107 180 A CA -1.939 50.073 52.037 -0.041 0.000 0.828 180 A CB -0.558 18.428 19.000 -0.024 0.000 1.111 180 A HN 0.750 nan 8.150 nan 0.000 0.498 181 P HA 0.373 nan 4.420 nan 0.000 0.279 181 P C 0.547 177.829 177.300 -0.030 0.000 1.318 181 P CA 1.076 64.153 63.100 -0.037 0.000 0.819 181 P CB 0.600 32.278 31.700 -0.037 0.000 0.927 182 G N 2.807 111.588 108.800 -0.032 0.000 2.545 182 G HA2 -0.196 3.752 3.960 -0.020 0.000 0.195 182 G HA3 -0.196 3.752 3.960 -0.020 0.000 0.195 182 G C -0.415 174.461 174.900 -0.040 0.000 1.009 182 G CA -0.462 44.620 45.100 -0.030 0.000 0.703 182 G HN 0.558 nan 8.290 nan 0.000 0.479 183 L N 3.400 124.595 121.223 -0.046 0.000 2.456 183 L HA 0.614 4.942 4.340 -0.020 0.000 0.277 183 L C 0.659 177.463 176.870 -0.109 0.000 1.124 183 L CA -0.374 54.430 54.840 -0.060 0.000 0.880 183 L CB -0.120 41.913 42.059 -0.042 0.000 1.192 183 L HN 0.264 nan 8.230 nan 0.000 0.463 184 R N 5.721 126.148 120.500 -0.121 0.000 2.254 184 R HA 0.483 4.810 4.340 -0.020 0.000 0.318 184 R C -0.858 175.294 176.300 -0.246 0.000 1.031 184 R CA -0.690 55.289 56.100 -0.203 0.000 0.905 184 R CB 0.863 31.091 30.300 -0.119 0.000 1.050 184 R HN 0.620 nan 8.270 nan 0.000 0.456 185 L N 3.276 124.217 121.223 -0.470 0.000 2.312 185 L HA 0.307 4.634 4.340 -0.020 0.000 0.281 185 L C 0.312 177.075 176.870 -0.179 0.000 1.070 185 L CA -0.513 54.130 54.840 -0.328 0.000 0.805 185 L CB 1.007 42.839 42.059 -0.378 0.000 1.174 185 L HN 0.365 nan 8.230 nan 0.000 0.434 186 K N 2.241 122.665 120.400 0.039 0.000 2.379 186 K HA 0.005 4.313 4.320 -0.020 0.000 0.284 186 K C 0.731 177.498 176.600 0.279 0.000 1.044 186 K CA -0.027 56.348 56.287 0.145 0.000 0.974 186 K CB 1.093 33.660 32.500 0.112 0.000 0.962 186 K HN 0.548 nan 8.250 nan 0.000 0.474 187 Q N 4.029 124.009 119.800 0.300 0.000 2.050 187 Q HA -0.120 4.208 4.340 -0.020 0.000 0.202 187 Q C -0.953 175.144 176.000 0.161 0.000 0.980 187 Q CA 1.519 57.482 55.803 0.267 0.000 0.840 187 Q CB -0.468 28.365 28.738 0.159 0.000 0.898 187 Q HN 0.414 nan 8.270 nan 0.000 0.424 188 P HA -0.162 nan 4.420 nan 0.000 0.219 188 P C 0.790 178.168 177.300 0.129 0.000 1.146 188 P CA 0.994 64.153 63.100 0.097 0.000 0.808 188 P CB -0.226 31.525 31.700 0.085 0.000 0.779 189 F N 0.217 120.198 119.950 0.051 0.000 2.098 189 F HA -0.120 4.394 4.527 -0.021 0.000 0.294 189 F C 1.910 177.752 175.800 0.071 0.000 1.107 189 F CA 1.198 59.227 58.000 0.048 0.000 1.234 189 F CB -0.956 38.064 39.000 0.033 0.000 1.002 189 F HN -0.334 nan 8.300 nan 0.000 0.472 190 V N 0.456 120.274 119.914 -0.160 0.000 2.490 190 V HA -0.270 3.838 4.120 -0.020 0.000 0.250 190 V C 2.242 178.230 176.094 -0.176 0.000 1.061 190 V CA 2.132 64.289 62.300 -0.238 0.000 1.064 190 V CB -0.817 31.059 31.823 0.090 0.000 0.670 190 V HN 0.321 nan 8.190 nan 0.000 0.461 191 E N 0.401 120.552 120.200 -0.081 0.000 2.274 191 E HA -0.113 4.224 4.350 -0.020 0.000 0.194 191 E C 2.256 178.836 176.600 -0.034 0.000 0.996 191 E CA 1.055 57.426 56.400 -0.048 0.000 0.840 191 E CB -0.147 29.540 29.700 -0.021 0.000 0.772 191 E HN 0.643 nan 8.360 nan 0.000 0.491 192 S N 0.026 115.681 115.700 -0.075 0.000 2.399 192 S HA -0.122 4.335 4.470 -0.020 0.000 0.231 192 S C 1.429 176.050 174.600 0.035 0.000 1.022 192 S CA 0.680 58.891 58.200 0.018 0.000 0.983 192 S CB -0.105 63.088 63.200 -0.011 0.000 0.803 192 S HN 0.192 nan 8.310 nan 0.000 0.480 193 L N 1.957 123.117 121.223 -0.105 0.000 2.478 193 L HA 0.191 4.519 4.340 -0.020 0.000 0.223 193 L C 2.372 179.278 176.870 0.060 0.000 1.140 193 L CA 0.566 55.396 54.840 -0.016 0.000 0.842 193 L CB -1.619 40.388 42.059 -0.086 0.000 0.953 193 L HN 0.334 nan 8.230 nan 0.000 0.452 194 G N 1.164 109.983 108.800 0.032 0.000 2.631 194 G HA2 -0.286 3.662 3.960 -0.020 0.000 0.219 194 G HA3 -0.286 3.662 3.960 -0.020 0.000 0.219 194 G C -0.477 174.448 174.900 0.042 0.000 1.214 194 G CA 1.012 46.129 45.100 0.029 0.000 0.785 194 G HN 0.313 nan 8.290 nan 0.000 0.596 195 P HA -0.090 nan 4.420 nan 0.000 0.219 195 P C 1.485 178.851 177.300 0.111 0.000 1.146 195 P CA 0.613 63.724 63.100 0.020 0.000 0.808 195 P CB -0.087 31.547 31.700 -0.110 0.000 0.779 196 F N -0.139 119.790 119.950 -0.035 0.000 2.113 196 F HA 0.069 4.583 4.527 -0.022 0.000 0.297 196 F C 0.806 176.609 175.800 0.005 0.000 1.103 196 F CA 1.455 59.452 58.000 -0.006 0.000 1.248 196 F CB -0.480 38.523 39.000 0.005 0.000 0.999 196 F HN -0.131 nan 8.300 nan 0.000 0.475 197 T N -0.041 114.450 114.554 -0.106 0.000 3.087 197 T HA 0.279 4.616 4.350 -0.020 0.000 0.351 197 T C -2.412 172.202 174.700 -0.142 0.000 1.520 197 T CA -0.966 61.013 62.100 -0.201 0.000 1.111 197 T CB 1.741 70.385 68.868 -0.373 0.000 1.353 197 T HN -0.158 nan 8.240 nan 0.000 0.481 198 P HA 0.213 nan 4.420 nan 0.000 0.227 198 P C 0.436 177.598 177.300 -0.230 0.000 1.161 198 P CA 0.185 63.204 63.100 -0.134 0.000 0.788 198 P CB 0.011 31.657 31.700 -0.090 0.000 0.822 199 A N 0.861 123.514 122.820 -0.279 0.000 3.091 199 A HA 0.358 4.666 4.320 -0.020 0.000 0.264 199 A C 0.323 177.499 177.584 -0.680 0.000 1.673 199 A CA -0.383 51.360 52.037 -0.490 0.000 1.362 199 A CB -1.604 17.221 19.000 -0.291 0.000 1.137 199 A HN 0.108 nan 8.150 nan 0.000 0.617 200 I N 0.607 120.794 120.570 -0.639 0.000 2.336 200 I HA 0.382 4.540 4.170 -0.020 0.000 0.292 200 I C -1.002 174.777 176.117 -0.563 0.000 0.991 200 I CA -0.427 60.575 61.300 -0.495 0.000 1.227 200 I CB 1.395 39.231 38.000 -0.274 0.000 1.366 200 I HN 0.355 nan 8.210 nan 0.000 0.466 201 F N 7.082 127.006 119.950 -0.042 0.000 2.434 201 F HA 0.409 4.924 4.527 -0.021 0.000 0.367 201 F C -2.327 173.458 175.800 -0.025 0.000 1.093 201 F CA -2.865 55.159 58.000 0.040 0.000 1.085 201 F CB 0.828 39.955 39.000 0.211 0.000 1.322 201 F HN 0.196 nan 8.300 nan 0.000 0.452 202 P HA 0.339 nan 4.420 nan 0.000 0.282 202 P C -0.335 177.050 177.300 0.141 0.000 1.262 202 P CA -0.295 62.881 63.100 0.128 0.000 0.773 202 P CB 0.999 32.849 31.700 0.250 0.000 0.879 203 R N 1.335 121.886 120.500 0.085 0.000 2.808 203 R HA 0.641 4.968 4.340 -0.020 0.000 0.272 203 R C -0.512 175.814 176.300 0.044 0.000 0.995 203 R CA -0.759 55.367 56.100 0.044 0.000 0.917 203 R CB 2.060 32.319 30.300 -0.067 0.000 1.217 203 R HN 0.519 nan 8.270 nan 0.000 0.471 204 S N 1.379 117.069 115.700 -0.018 0.000 2.500 204 S HA 0.863 5.321 4.470 -0.020 0.000 0.301 204 S C -0.088 174.465 174.600 -0.078 0.000 1.092 204 S CA -0.800 57.379 58.200 -0.035 0.000 1.030 204 S CB 1.455 64.637 63.200 -0.031 0.000 1.031 204 S HN 0.600 nan 8.310 nan 0.000 0.483 205 L N -1.370 119.797 121.223 -0.095 0.000 2.775 205 L HA 0.707 5.034 4.340 -0.020 0.000 0.263 205 L C -1.958 174.841 176.870 -0.118 0.000 1.017 205 L CA -1.105 53.662 54.840 -0.123 0.000 0.891 205 L CB 1.206 43.158 42.059 -0.179 0.000 1.482 205 L HN 0.406 nan 8.230 nan 0.000 0.410 206 D N 1.716 122.053 120.400 -0.105 0.000 2.346 206 D HA 0.377 5.004 4.640 -0.020 0.000 0.260 206 D C 0.148 176.380 176.300 -0.113 0.000 1.252 206 D CA 0.513 54.459 54.000 -0.089 0.000 0.895 206 D CB 0.789 41.549 40.800 -0.066 0.000 1.097 206 D HN 0.457 nan 8.370 nan 0.000 0.489 207 L N 2.443 123.596 121.223 -0.116 0.000 3.073 207 L HA 0.188 4.515 4.340 -0.020 0.000 0.242 207 L C 1.053 177.892 176.870 -0.052 0.000 1.317 207 L CA -0.088 54.673 54.840 -0.132 0.000 1.081 207 L CB -0.395 41.542 42.059 -0.203 0.000 1.456 207 L HN 0.381 nan 8.230 nan 0.000 0.525 208 S N -3.555 112.121 115.700 -0.039 0.000 3.952 208 S HA -0.032 4.425 4.470 -0.020 0.000 0.211 208 S C 1.774 176.367 174.600 -0.012 0.000 1.098 208 S CA 0.529 58.720 58.200 -0.014 0.000 0.954 208 S CB -0.234 62.958 63.200 -0.014 0.000 1.222 208 S HN 0.291 nan 8.310 nan 0.000 0.585 209 T N 0.547 115.089 114.554 -0.020 0.000 2.607 209 T HA -0.036 4.301 4.350 -0.020 0.000 0.267 209 T C 0.354 175.047 174.700 -0.013 0.000 1.049 209 T CA 1.897 63.987 62.100 -0.016 0.000 1.162 209 T CB -0.737 68.119 68.868 -0.021 0.000 0.863 209 T HN 0.496 nan 8.240 nan 0.000 0.424 210 D N 1.353 121.742 120.400 -0.019 0.000 2.575 210 D HA 0.303 4.931 4.640 -0.020 0.000 0.250 210 D C -1.983 174.308 176.300 -0.015 0.000 1.279 210 D CA -2.223 51.769 54.000 -0.013 0.000 0.925 210 D CB 2.347 43.137 40.800 -0.017 0.000 1.261 210 D HN 0.012 nan 8.370 nan 0.000 0.567 211 P HA -0.040 nan 4.420 nan 0.000 0.219 211 P C 1.449 178.761 177.300 0.019 0.000 1.154 211 P CA 0.279 63.389 63.100 0.018 0.000 0.826 211 P CB 0.843 32.571 31.700 0.047 0.000 0.795 212 V N -0.099 119.825 119.914 0.017 0.000 2.488 212 V HA -0.150 3.958 4.120 -0.020 0.000 0.246 212 V C 2.624 178.718 176.094 -0.000 0.000 1.046 212 V CA 1.167 63.478 62.300 0.018 0.000 1.053 212 V CB -1.161 30.673 31.823 0.019 0.000 0.679 212 V HN -0.057 nan 8.190 nan 0.000 0.458 213 L N 0.614 121.829 121.223 -0.013 0.000 2.079 213 L HA -0.129 4.199 4.340 -0.020 0.000 0.210 213 L C 2.530 179.371 176.870 -0.048 0.000 1.081 213 L CA 2.285 57.109 54.840 -0.026 0.000 0.752 213 L CB -1.146 40.896 42.059 -0.028 0.000 0.896 213 L HN 0.311 nan 8.230 nan 0.000 0.433 214 A N -1.058 121.726 122.820 -0.060 0.000 1.898 214 A HA 0.042 4.349 4.320 -0.020 0.000 0.214 214 A C 2.466 179.990 177.584 -0.100 0.000 1.183 214 A CA 1.165 53.138 52.037 -0.107 0.000 0.622 214 A CB -0.788 18.131 19.000 -0.136 0.000 0.824 214 A HN 0.333 nan 8.150 nan 0.000 0.444 215 A N -0.539 122.263 122.820 -0.031 0.000 2.024 215 A HA -0.216 4.092 4.320 -0.020 0.000 0.220 215 A C 2.100 179.692 177.584 0.013 0.000 1.164 215 A CA 1.693 53.746 52.037 0.027 0.000 0.643 215 A CB -0.481 18.565 19.000 0.076 0.000 0.806 215 A HN 0.667 nan 8.150 nan 0.000 0.451 216 Q N -0.551 119.244 119.800 -0.008 0.000 2.049 216 Q HA -0.131 4.197 4.340 -0.020 0.000 0.198 216 Q C 2.025 178.003 176.000 -0.036 0.000 0.971 216 Q CA 1.481 57.278 55.803 -0.009 0.000 0.833 216 Q CB -0.189 28.543 28.738 -0.011 0.000 0.896 216 Q HN 0.635 nan 8.270 nan 0.000 0.434 217 K N 0.516 120.872 120.400 -0.073 0.000 2.173 217 K HA -0.183 4.125 4.320 -0.020 0.000 0.207 217 K C 1.943 178.464 176.600 -0.131 0.000 1.046 217 K CA 1.220 57.444 56.287 -0.104 0.000 0.929 217 K CB -0.155 32.256 32.500 -0.148 0.000 0.720 217 K HN 0.229 nan 8.250 nan 0.000 0.453 218 I N 1.130 121.581 120.570 -0.197 0.000 2.252 218 I HA -0.269 3.889 4.170 -0.020 0.000 0.245 218 I C 1.913 178.021 176.117 -0.015 0.000 1.102 218 I CA 0.894 62.043 61.300 -0.251 0.000 1.385 218 I CB -0.294 37.497 38.000 -0.349 0.000 1.064 218 I HN 0.211 nan 8.210 nan 0.000 0.414 219 N N 0.786 119.494 118.700 0.012 0.000 2.166 219 N HA -0.188 4.540 4.740 -0.020 0.000 0.186 219 N C 1.928 177.430 175.510 -0.014 0.000 1.019 219 N CA 1.092 54.159 53.050 0.028 0.000 0.856 219 N CB -0.356 38.160 38.487 0.049 0.000 0.993 219 N HN 0.314 nan 8.380 nan 0.000 0.426 220 R N -0.248 120.246 120.500 -0.010 0.000 2.148 220 R HA -0.065 4.263 4.340 -0.020 0.000 0.227 220 R C 1.876 178.168 176.300 -0.014 0.000 1.103 220 R CA 0.575 56.663 56.100 -0.021 0.000 0.983 220 R CB -0.206 30.084 30.300 -0.015 0.000 0.874 220 R HN 0.159 nan 8.270 nan 0.000 0.451 221 F N 0.313 120.169 119.950 -0.156 0.000 2.187 221 F HA -0.114 4.406 4.527 -0.012 0.000 0.295 221 F C 1.969 177.637 175.800 -0.221 0.000 1.091 221 F CA 1.085 58.977 58.000 -0.180 0.000 1.308 221 F CB -0.539 38.360 39.000 -0.168 0.000 1.030 221 F HN -0.188 nan 8.300 nan 0.000 0.487 222 V N 0.690 120.413 119.914 -0.318 0.000 2.295 222 V HA -0.259 3.848 4.120 -0.020 0.000 0.246 222 V C 2.350 178.168 176.094 -0.460 0.000 1.049 222 V CA 2.299 64.298 62.300 -0.502 0.000 1.024 222 V CB -0.564 30.989 31.823 -0.451 0.000 0.648 222 V HN 0.452 nan 8.190 nan 0.000 0.447 223 Q N -0.204 119.428 119.800 -0.281 0.000 2.173 223 Q HA -0.255 4.073 4.340 -0.020 0.000 0.208 223 Q C 2.259 178.079 176.000 -0.299 0.000 0.989 223 Q CA 2.402 58.066 55.803 -0.231 0.000 0.872 223 Q CB -0.510 28.151 28.738 -0.129 0.000 0.909 223 Q HN 0.816 nan 8.270 nan 0.000 0.420 224 A N 0.040 122.653 122.820 -0.345 0.000 1.826 224 A HA -0.120 4.187 4.320 -0.020 0.000 0.214 224 A C 2.214 179.521 177.584 -0.462 0.000 1.212 224 A CA 1.906 53.734 52.037 -0.347 0.000 0.605 224 A CB -1.012 17.807 19.000 -0.302 0.000 0.861 224 A HN 0.297 nan 8.150 nan 0.000 0.447 225 V N -1.448 118.049 119.914 -0.694 0.000 2.358 225 V HA -0.158 3.949 4.120 -0.020 0.000 0.246 225 V C 2.488 178.224 176.094 -0.597 0.000 1.047 225 V CA 2.673 64.551 62.300 -0.704 0.000 1.035 225 V CB -1.932 29.195 31.823 -1.160 0.000 0.658 225 V HN 0.714 nan 8.190 nan 0.000 0.452 226 T N -2.761 111.335 114.554 -0.762 0.000 2.894 226 T HA 0.369 4.707 4.350 -0.020 0.000 0.258 226 T C 1.926 175.864 174.700 -1.270 0.000 1.043 226 T CA 1.745 63.138 62.100 -1.179 0.000 1.141 226 T CB 0.167 68.121 68.868 -1.524 0.000 0.873 226 T HN 1.649 nan 8.240 nan 0.000 0.449 227 G N 0.210 108.530 108.800 -0.801 0.000 2.234 227 G HA2 -0.164 3.784 3.960 -0.020 0.000 0.235 227 G HA3 -0.164 3.784 3.960 -0.020 0.000 0.235 227 G C -0.097 174.632 174.900 -0.284 0.000 0.997 227 G CA -0.082 44.728 45.100 -0.482 0.000 0.623 227 G HN 0.520 nan 8.290 nan 0.000 0.514 228 W N 2.133 123.332 121.300 -0.168 0.000 2.335 228 W HA 0.590 5.238 4.660 -0.019 0.000 0.306 228 W C 0.668 177.125 176.519 -0.104 0.000 1.216 228 W CA -1.812 55.431 57.345 -0.170 0.000 1.237 228 W CB 0.472 29.803 29.460 -0.215 0.000 1.243 228 W HN 0.254 nan 8.180 nan 0.000 0.493 229 K N 4.304 124.776 120.400 0.119 0.000 2.307 229 K HA 0.153 4.461 4.320 -0.020 0.000 0.285 229 K C -0.219 176.450 176.600 0.115 0.000 1.073 229 K CA 0.471 56.804 56.287 0.077 0.000 0.996 229 K CB -0.108 32.420 32.500 0.048 0.000 0.994 229 K HN 0.491 nan 8.250 nan 0.000 0.452 230 M N 4.651 124.329 119.600 0.131 0.000 2.182 230 M HA 0.113 4.581 4.480 -0.020 0.000 0.285 230 M C -0.585 175.800 176.300 0.142 0.000 0.956 230 M CA -0.786 54.614 55.300 0.166 0.000 0.878 230 M CB 0.972 33.731 32.600 0.266 0.000 1.373 230 M HN 0.457 nan 8.290 nan 0.000 0.393 231 N N 3.573 122.337 118.700 0.106 0.000 2.431 231 N HA 0.285 5.012 4.740 -0.020 0.000 0.265 231 N C -1.473 174.100 175.510 0.104 0.000 1.184 231 N CA 0.318 53.423 53.050 0.091 0.000 0.943 231 N CB 0.511 39.037 38.487 0.066 0.000 1.080 231 N HN 0.639 nan 8.380 nan 0.000 0.477 232 L N 5.149 126.441 121.223 0.114 0.000 2.462 232 L HA 0.392 4.720 4.340 -0.020 0.000 0.255 232 L C -2.050 174.877 176.870 0.095 0.000 1.076 232 L CA -1.751 53.157 54.840 0.114 0.000 0.920 232 L CB 1.473 43.619 42.059 0.145 0.000 1.214 232 L HN 0.333 nan 8.230 nan 0.000 0.472 233 P HA 0.005 nan 4.420 nan 0.000 0.264 233 P C -0.890 176.449 177.300 0.065 0.000 1.179 233 P CA 0.141 63.279 63.100 0.064 0.000 0.763 233 P CB 0.369 32.100 31.700 0.052 0.000 0.806 234 L N 0.887 122.148 121.223 0.062 0.000 2.305 234 L HA 0.443 4.770 4.340 -0.020 0.000 0.284 234 L C 0.709 177.608 176.870 0.047 0.000 1.013 234 L CA -0.496 54.380 54.840 0.060 0.000 0.819 234 L CB 1.494 43.599 42.059 0.076 0.000 1.227 234 L HN 0.402 nan 8.230 nan 0.000 0.417 235 E N 3.467 123.691 120.200 0.040 0.000 2.016 235 E HA 0.123 4.461 4.350 -0.020 0.000 0.190 235 E C 0.709 177.327 176.600 0.031 0.000 0.985 235 E CA 1.150 57.569 56.400 0.031 0.000 0.802 235 E CB 0.248 29.963 29.700 0.025 0.000 0.762 235 E HN 0.890 nan 8.360 nan 0.000 0.448 236 G N 0.755 109.574 108.800 0.032 0.000 2.719 236 G HA2 0.441 4.388 3.960 -0.020 0.000 0.284 236 G HA3 0.441 4.388 3.960 -0.020 0.000 0.284 236 G C -1.144 173.782 174.900 0.042 0.000 1.488 236 G CA -0.533 44.587 45.100 0.034 0.000 1.139 236 G HN -0.030 nan 8.290 nan 0.000 0.552 237 V N 1.454 121.405 119.914 0.063 0.000 2.427 237 V HA 0.550 4.658 4.120 -0.020 0.000 0.286 237 V C 0.801 176.953 176.094 0.096 0.000 1.034 237 V CA -0.676 61.682 62.300 0.097 0.000 0.893 237 V CB 1.617 33.530 31.823 0.150 0.000 0.982 237 V HN 0.723 nan 8.190 nan 0.000 0.452 238 S N 2.614 118.377 115.700 0.105 0.000 2.528 238 S HA 0.104 4.561 4.470 -0.020 0.000 0.277 238 S C 1.223 175.897 174.600 0.124 0.000 1.297 238 S CA 0.192 58.449 58.200 0.094 0.000 1.052 238 S CB 1.053 64.299 63.200 0.077 0.000 0.917 238 S HN 0.957 nan 8.310 nan 0.000 0.492 239 T N 2.104 116.708 114.554 0.083 0.000 3.113 239 T HA 0.013 4.351 4.350 -0.020 0.000 0.256 239 T C 0.635 175.372 174.700 0.062 0.000 1.131 239 T CA 0.926 63.067 62.100 0.068 0.000 1.074 239 T CB -0.315 68.578 68.868 0.042 0.000 0.944 239 T HN 0.797 nan 8.240 nan 0.000 0.516 240 D N 0.243 120.684 120.400 0.069 0.000 2.525 240 D HA 0.207 4.834 4.640 -0.020 0.000 0.229 240 D C -0.121 176.227 176.300 0.079 0.000 1.202 240 D CA -0.290 53.744 54.000 0.057 0.000 0.828 240 D CB -0.138 40.687 40.800 0.041 0.000 1.008 240 D HN 0.092 nan 8.370 nan 0.000 0.493 241 S N -0.482 115.294 115.700 0.127 0.000 2.541 241 S HA 0.397 4.855 4.470 -0.020 0.000 0.283 241 S C 1.305 175.997 174.600 0.155 0.000 1.196 241 S CA -0.425 57.886 58.200 0.185 0.000 1.062 241 S CB 1.818 65.227 63.200 0.347 0.000 1.009 241 S HN 0.398 nan 8.310 nan 0.000 0.502 242 T N 0.153 114.794 114.554 0.145 0.000 3.004 242 T HA 0.233 4.570 4.350 -0.020 0.000 0.243 242 T C 0.512 175.299 174.700 0.145 0.000 1.020 242 T CA 0.007 62.166 62.100 0.098 0.000 1.145 242 T CB -0.030 68.876 68.868 0.063 0.000 0.876 242 T HN 0.403 nan 8.240 nan 0.000 0.449 243 L N 1.178 122.544 121.223 0.239 0.000 2.307 243 L HA 0.614 4.942 4.340 -0.020 0.000 0.284 243 L C -1.657 175.562 176.870 0.583 0.000 1.023 243 L CA -0.867 54.159 54.840 0.310 0.000 0.810 243 L CB 1.392 43.596 42.059 0.241 0.000 1.231 243 L HN 0.150 nan 8.230 nan 0.000 0.423 244 F N 4.760 124.847 119.950 0.229 0.000 2.469 244 F HA 0.396 4.918 4.527 -0.008 0.000 0.332 244 F C -0.332 175.627 175.800 0.265 0.000 1.103 244 F CA -0.982 57.193 58.000 0.292 0.000 0.979 244 F CB 1.656 40.895 39.000 0.398 0.000 1.137 244 F HN 0.294 nan 8.300 nan 0.000 0.463 245 F N 4.662 124.779 119.950 0.278 0.000 2.434 245 F HA 0.444 4.959 4.527 -0.021 0.000 0.367 245 F C -0.794 175.083 175.800 0.127 0.000 1.093 245 F CA -0.669 57.426 58.000 0.158 0.000 1.085 245 F CB 0.268 39.340 39.000 0.121 0.000 1.322 245 F HN 0.291 nan 8.300 nan 0.000 0.452 246 N N 3.097 121.890 118.700 0.156 0.000 2.417 246 N HA 0.325 5.053 4.740 -0.020 0.000 0.274 246 N C -0.973 174.538 175.510 0.002 0.000 0.987 246 N CA -0.534 52.572 53.050 0.093 0.000 0.912 246 N CB 1.887 40.513 38.487 0.231 0.000 1.177 246 N HN 0.291 nan 8.380 nan 0.000 0.490 247 T N 2.201 116.742 114.554 -0.021 0.000 2.749 247 T HA 0.369 4.707 4.350 -0.020 0.000 0.287 247 T C -0.537 174.104 174.700 -0.099 0.000 0.970 247 T CA -0.260 61.889 62.100 0.083 0.000 0.980 247 T CB 0.019 69.057 68.868 0.283 0.000 0.924 247 T HN 0.244 nan 8.240 nan 0.000 0.456 248 Y N 1.707 122.136 120.300 0.216 0.000 2.335 248 Y HA 0.577 5.114 4.550 -0.022 0.000 0.338 248 Y C 0.050 176.143 175.900 0.321 0.000 0.977 248 Y CA -1.067 57.207 58.100 0.290 0.000 1.114 248 Y CB 1.232 39.915 38.460 0.372 0.000 1.182 248 Y HN 0.331 nan 8.280 nan 0.000 0.463 249 V N 3.119 123.256 119.914 0.372 0.000 2.715 249 V HA 0.385 4.493 4.120 -0.020 0.000 0.310 249 V C -0.752 175.398 176.094 0.093 0.000 1.054 249 V CA -0.933 61.531 62.300 0.273 0.000 0.928 249 V CB 1.926 33.927 31.823 0.296 0.000 1.007 249 V HN 0.818 nan 8.190 nan 0.000 0.437 250 H N 3.771 122.688 119.070 -0.256 0.000 3.013 250 H HA 0.457 5.001 4.556 -0.020 0.000 0.326 250 H C -2.210 172.970 175.328 -0.247 0.000 0.973 250 H CA -0.468 55.225 56.048 -0.593 0.000 1.369 250 H CB 1.579 30.274 29.762 -1.779 0.000 1.598 250 H HN 0.617 nan 8.280 nan 0.000 0.518 251 F N 4.250 123.832 119.950 -0.614 0.000 2.450 251 F HA 0.361 4.876 4.527 -0.021 0.000 0.332 251 F C -0.833 174.538 175.800 -0.714 0.000 1.093 251 F CA -0.429 57.207 58.000 -0.607 0.000 1.003 251 F CB 1.779 40.373 39.000 -0.677 0.000 1.151 251 F HN 0.597 nan 8.300 nan 0.000 0.474 252 Q N 3.771 122.889 119.800 -1.136 0.000 2.269 252 Q HA 0.479 4.806 4.340 -0.020 0.000 0.263 252 Q C -1.322 174.236 176.000 -0.737 0.000 0.983 252 Q CA -0.712 54.669 55.803 -0.703 0.000 0.777 252 Q CB 1.808 30.230 28.738 -0.528 0.000 1.273 252 Q HN 0.968 nan 8.270 nan 0.000 0.440 253 G N 3.576 112.149 108.800 -0.379 0.000 2.671 253 G HA2 0.298 4.246 3.960 -0.020 0.000 0.318 253 G HA3 0.298 4.246 3.960 -0.020 0.000 0.318 253 G C -0.683 174.146 174.900 -0.118 0.000 1.250 253 G CA -0.512 44.465 45.100 -0.206 0.000 1.028 253 G HN 0.482 nan 8.290 nan 0.000 0.501 254 K N 4.369 124.702 120.400 -0.111 0.000 2.180 254 K HA 0.124 4.432 4.320 -0.020 0.000 0.250 254 K C 0.901 177.495 176.600 -0.010 0.000 1.135 254 K CA -0.226 56.029 56.287 -0.054 0.000 1.037 254 K CB 0.692 33.166 32.500 -0.045 0.000 1.624 254 K HN 0.693 nan 8.250 nan 0.000 0.382 255 M N 0.902 120.494 119.600 -0.015 0.000 2.268 255 M HA 0.182 4.650 4.480 -0.020 0.000 0.349 255 M C -0.028 176.386 176.300 0.189 0.000 1.485 255 M CA 0.051 55.369 55.300 0.031 0.000 1.094 255 M CB 0.383 32.895 32.600 -0.146 0.000 1.843 255 M HN 0.258 nan 8.290 nan 0.000 0.460 256 R N 2.663 123.287 120.500 0.206 0.000 2.543 256 R HA 0.370 4.697 4.340 -0.020 0.000 0.277 256 R C 0.954 177.436 176.300 0.304 0.000 1.074 256 R CA 1.441 57.666 56.100 0.208 0.000 1.076 256 R CB 0.461 30.843 30.300 0.136 0.000 0.993 256 R HN 1.100 nan 8.270 nan 0.000 0.459 257 G N 2.620 111.525 108.800 0.176 0.000 2.175 257 G HA2 -0.255 3.692 3.960 -0.020 0.000 0.244 257 G HA3 -0.255 3.692 3.960 -0.020 0.000 0.244 257 G C -0.393 174.404 174.900 -0.173 0.000 0.982 257 G CA -0.107 45.004 45.100 0.019 0.000 0.641 257 G HN 0.491 nan 8.290 nan 0.000 0.527 258 F N 1.165 121.152 119.950 0.061 0.000 2.546 258 F HA 0.732 5.247 4.527 -0.020 0.000 0.320 258 F C 0.565 176.377 175.800 0.020 0.000 1.076 258 F CA -0.139 57.885 58.000 0.039 0.000 0.928 258 F CB 2.522 41.533 39.000 0.019 0.000 1.189 258 F HN 0.334 nan 8.300 nan 0.000 0.465 259 S N 0.825 116.636 115.700 0.186 0.000 2.595 259 S HA 0.536 4.993 4.470 -0.020 0.000 0.281 259 S C -1.120 173.535 174.600 0.093 0.000 1.117 259 S CA -1.069 57.194 58.200 0.105 0.000 0.873 259 S CB 1.865 65.099 63.200 0.057 0.000 1.108 259 S HN 0.602 nan 8.310 nan 0.000 0.477 260 Q N 0.633 120.473 119.800 0.067 0.000 2.392 260 Q HA 0.490 4.817 4.340 -0.020 0.000 0.262 260 Q C -1.194 174.844 176.000 0.064 0.000 1.003 260 Q CA 0.061 55.899 55.803 0.059 0.000 0.888 260 Q CB 0.398 29.165 28.738 0.048 0.000 1.260 260 Q HN 0.701 nan 8.270 nan 0.000 0.435 261 L N 2.307 123.577 121.223 0.079 0.000 2.331 261 L HA 0.474 4.802 4.340 -0.020 0.000 0.275 261 L C 0.009 176.974 176.870 0.159 0.000 1.022 261 L CA -1.079 53.829 54.840 0.113 0.000 0.812 261 L CB 1.780 43.897 42.059 0.096 0.000 1.257 261 L HN 0.773 nan 8.230 nan 0.000 0.435 262 T N -0.267 114.371 114.554 0.140 0.000 2.888 262 T HA 0.505 4.843 4.350 -0.020 0.000 0.301 262 T C 0.452 175.198 174.700 0.077 0.000 1.001 262 T CA 0.091 62.247 62.100 0.093 0.000 1.147 262 T CB 0.970 69.874 68.868 0.060 0.000 0.931 262 T HN 1.068 nan 8.240 nan 0.000 0.541 263 G N 2.136 110.943 108.800 0.011 0.000 2.781 263 G HA2 -0.076 3.872 3.960 -0.020 0.000 0.683 263 G HA3 -0.076 3.872 3.960 -0.020 0.000 0.683 263 G C -0.790 174.045 174.900 -0.109 0.000 1.390 263 G CA -0.765 44.282 45.100 -0.088 0.000 0.850 263 G HN 0.990 nan 8.290 nan 0.000 0.557 264 L N 1.737 122.879 121.223 -0.136 0.000 2.289 264 L HA 0.535 4.862 4.340 -0.020 0.000 0.285 264 L C 0.616 177.391 176.870 -0.158 0.000 1.049 264 L CA -0.964 53.848 54.840 -0.047 0.000 0.804 264 L CB 1.325 43.386 42.059 0.002 0.000 1.195 264 L HN 0.615 nan 8.230 nan 0.000 0.428 265 H N 1.326 120.436 119.070 0.066 0.000 2.573 265 H HA 0.363 4.907 4.556 -0.021 0.000 0.351 265 H C -0.824 174.580 175.328 0.127 0.000 1.163 265 H CA -0.830 55.271 56.048 0.088 0.000 1.205 265 H CB 2.049 31.863 29.762 0.088 0.000 1.605 265 H HN 0.564 nan 8.280 nan 0.000 0.525 266 E N 1.024 121.380 120.200 0.259 0.000 2.366 266 E HA 0.154 4.492 4.350 -0.020 0.000 0.266 266 E C -1.084 175.720 176.600 0.341 0.000 1.051 266 E CA -0.160 56.387 56.400 0.246 0.000 0.884 266 E CB 1.063 30.883 29.700 0.200 0.000 1.006 266 E HN 0.241 nan 8.360 nan 0.000 0.417 267 F N 3.375 123.418 119.950 0.156 0.000 2.496 267 F HA 0.183 4.698 4.527 -0.020 0.000 0.341 267 F C -1.067 174.852 175.800 0.199 0.000 1.134 267 F CA -0.898 57.209 58.000 0.177 0.000 0.968 267 F CB 0.831 39.916 39.000 0.141 0.000 1.205 267 F HN 0.532 nan 8.300 nan 0.000 0.436 268 W N 8.312 129.373 121.300 -0.399 0.000 2.429 268 W HA 0.207 4.855 4.660 -0.020 0.000 0.431 268 W C -0.207 176.095 176.519 -0.360 0.000 1.038 268 W CA 0.027 57.203 57.345 -0.282 0.000 1.635 268 W CB 0.655 29.988 29.460 -0.211 0.000 1.721 268 W HN 0.404 nan 8.180 nan 0.000 0.366 269 V N 3.324 123.068 119.914 -0.283 0.000 2.667 269 V HA -0.158 3.950 4.120 -0.020 0.000 0.252 269 V C 0.310 176.299 176.094 -0.176 0.000 1.065 269 V CA 1.757 63.971 62.300 -0.144 0.000 1.083 269 V CB -0.523 31.293 31.823 -0.013 0.000 0.692 269 V HN 0.492 nan 8.190 nan 0.000 0.468 270 D N -2.097 118.055 120.400 -0.413 0.000 2.663 270 D HA 0.134 4.761 4.640 -0.020 0.000 0.233 270 D C 0.725 176.683 176.300 -0.569 0.000 1.240 270 D CA -0.129 53.688 54.000 -0.305 0.000 0.774 270 D CB 0.713 41.396 40.800 -0.194 0.000 1.443 270 D HN -0.043 nan 8.370 nan 0.000 0.441 271 N N 1.212 119.851 118.700 -0.101 0.000 2.184 271 N HA -0.252 4.476 4.740 -0.020 0.000 0.190 271 N C 1.275 176.684 175.510 -0.168 0.000 1.011 271 N CA 2.369 55.496 53.050 0.127 0.000 0.867 271 N CB -0.706 37.917 38.487 0.226 0.000 0.993 271 N HN 0.366 nan 8.380 nan 0.000 0.433 272 S N -0.346 115.212 115.700 -0.237 0.000 2.311 272 S HA -0.010 4.448 4.470 -0.020 0.000 0.209 272 S C 1.151 175.526 174.600 -0.375 0.000 1.029 272 S CA 0.902 58.971 58.200 -0.218 0.000 0.968 272 S CB -1.185 61.938 63.200 -0.129 0.000 0.946 272 S HN 0.603 nan 8.310 nan 0.000 0.450 273 T N 0.309 114.636 114.554 -0.379 0.000 2.940 273 T HA 0.738 5.076 4.350 -0.020 0.000 0.288 273 T C -0.307 174.150 174.700 -0.405 0.000 1.033 273 T CA -0.228 61.677 62.100 -0.325 0.000 1.033 273 T CB 1.763 70.528 68.868 -0.172 0.000 1.079 273 T HN 0.814 nan 8.240 nan 0.000 0.496 274 S N -0.315 115.229 115.700 -0.260 0.000 2.685 274 S HA 0.830 5.287 4.470 -0.020 0.000 0.282 274 S C -0.860 173.729 174.600 -0.019 0.000 1.159 274 S CA -0.504 57.605 58.200 -0.152 0.000 0.833 274 S CB 1.343 64.469 63.200 -0.123 0.000 1.151 274 S HN 1.850 nan 8.310 nan 0.000 0.485 275 V N -0.599 119.359 119.914 0.074 0.000 2.668 275 V HA 0.797 4.904 4.120 -0.020 0.000 0.304 275 V C -0.270 175.905 176.094 0.134 0.000 1.071 275 V CA -0.612 61.740 62.300 0.088 0.000 0.894 275 V CB 1.044 32.915 31.823 0.080 0.000 1.008 275 V HN 1.200 nan 8.190 nan 0.000 0.425 276 S N 3.936 119.695 115.700 0.099 0.000 2.505 276 S HA 0.778 5.236 4.470 -0.020 0.000 0.276 276 S C 0.025 174.679 174.600 0.090 0.000 1.274 276 S CA -0.038 58.227 58.200 0.107 0.000 1.053 276 S CB 0.871 64.110 63.200 0.065 0.000 0.919 276 S HN 2.126 nan 8.310 nan 0.000 0.490 277 V N -1.376 118.606 119.914 0.113 0.000 3.130 277 V HA 0.790 4.898 4.120 -0.020 0.000 0.310 277 V C -3.040 173.115 176.094 0.102 0.000 1.158 277 V CA -3.054 59.290 62.300 0.073 0.000 1.029 277 V CB 1.621 33.459 31.823 0.025 0.000 1.057 277 V HN 0.655 nan 8.190 nan 0.000 0.436 278 P HA 0.331 nan 4.420 nan 0.000 0.271 278 P C -1.057 176.289 177.300 0.076 0.000 1.216 278 P CA 0.075 63.233 63.100 0.098 0.000 0.771 278 P CB 0.620 32.351 31.700 0.051 0.000 0.864 279 M N 3.574 123.236 119.600 0.104 0.000 2.311 279 M HA 0.338 4.806 4.480 -0.020 0.000 0.325 279 M C -0.099 176.197 176.300 -0.007 0.000 1.061 279 M CA -0.996 54.303 55.300 -0.002 0.000 0.957 279 M CB 1.481 34.008 32.600 -0.122 0.000 1.646 279 M HN 0.202 nan 8.290 nan 0.000 0.434 280 L N 0.939 122.157 121.223 -0.008 0.000 2.322 280 L HA 0.929 5.256 4.340 -0.020 0.000 0.279 280 L C -0.095 176.836 176.870 0.102 0.000 1.036 280 L CA -0.110 54.756 54.840 0.043 0.000 0.807 280 L CB 1.654 43.731 42.059 0.029 0.000 1.226 280 L HN 0.682 nan 8.230 nan 0.000 0.433 281 S N 0.907 116.706 115.700 0.165 0.000 2.569 281 S HA 0.981 5.439 4.470 -0.020 0.000 0.280 281 S C -0.486 174.186 174.600 0.120 0.000 1.111 281 S CA 0.113 58.419 58.200 0.176 0.000 0.887 281 S CB 1.553 64.775 63.200 0.035 0.000 1.095 281 S HN 1.343 nan 8.310 nan 0.000 0.476 282 G N 0.775 109.507 108.800 -0.114 0.000 2.721 282 G HA2 0.712 4.660 3.960 -0.020 0.000 0.296 282 G HA3 0.712 4.660 3.960 -0.020 0.000 0.296 282 G C -1.603 173.130 174.900 -0.278 0.000 1.383 282 G CA -0.530 44.256 45.100 -0.525 0.000 0.788 282 G HN 0.792 nan 8.290 nan 0.000 0.500 283 T N -1.125 113.276 114.554 -0.254 0.000 2.956 283 T HA 0.824 5.162 4.350 -0.020 0.000 0.312 283 T C 0.028 174.554 174.700 -0.290 0.000 1.151 283 T CA 0.166 62.180 62.100 -0.142 0.000 1.024 283 T CB 1.849 70.646 68.868 -0.118 0.000 1.140 283 T HN 1.694 nan 8.240 nan 0.000 0.473 284 G N 1.320 109.818 108.800 -0.504 0.000 2.428 284 G HA2 0.406 4.354 3.960 -0.020 0.000 0.305 284 G HA3 0.406 4.354 3.960 -0.020 0.000 0.305 284 G C -1.840 172.589 174.900 -0.784 0.000 1.260 284 G CA -0.777 43.849 45.100 -0.790 0.000 0.853 284 G HN 0.493 nan 8.290 nan 0.000 0.480 285 N N 0.909 119.196 118.700 -0.689 0.000 3.194 285 N HA 0.398 5.126 4.740 -0.020 0.000 0.271 285 N C -0.888 174.466 175.510 -0.260 0.000 1.308 285 N CA -0.080 52.758 53.050 -0.353 0.000 1.042 285 N CB 0.130 38.513 38.487 -0.173 0.000 1.310 285 N HN 0.284 nan 8.380 nan 0.000 0.502 286 F N 0.304 120.299 119.950 0.075 0.000 2.370 286 F HA 0.272 4.787 4.527 -0.020 0.000 0.324 286 F C 1.333 177.229 175.800 0.158 0.000 1.116 286 F CA -0.863 57.211 58.000 0.123 0.000 1.123 286 F CB 1.027 40.107 39.000 0.134 0.000 1.238 286 F HN -0.052 nan 8.300 nan 0.000 0.536 287 Q N 0.657 120.710 119.800 0.421 0.000 2.261 287 Q HA 0.365 4.692 4.340 -0.020 0.000 0.252 287 Q C -1.272 174.998 176.000 0.449 0.000 0.915 287 Q CA -0.414 55.628 55.803 0.398 0.000 0.915 287 Q CB 1.547 30.526 28.738 0.402 0.000 1.204 287 Q HN 0.580 nan 8.270 nan 0.000 0.421 288 H N 1.481 120.755 119.070 0.339 0.000 3.026 288 H HA 0.487 5.031 4.556 -0.020 0.000 0.352 288 H C -1.923 173.600 175.328 0.325 0.000 1.090 288 H CA -0.701 55.459 56.048 0.187 0.000 1.268 288 H CB 0.905 30.732 29.762 0.109 0.000 1.816 288 H HN 0.729 nan 8.280 nan 0.000 0.518 289 W N 2.221 123.363 121.300 -0.263 0.000 3.003 289 W HA 0.808 5.455 4.660 -0.020 0.000 0.362 289 W C -1.814 174.569 176.519 -0.226 0.000 1.213 289 W CA -1.032 56.231 57.345 -0.137 0.000 1.157 289 W CB 0.999 30.430 29.460 -0.048 0.000 1.493 289 W HN 0.523 nan 8.180 nan 0.000 0.589 290 S N 1.515 117.266 115.700 0.085 0.000 2.733 290 S HA 0.147 4.605 4.470 -0.020 0.000 0.294 290 S C -1.377 173.200 174.600 -0.038 0.000 1.149 290 S CA -0.566 57.588 58.200 -0.077 0.000 1.034 290 S CB 1.166 64.337 63.200 -0.049 0.000 1.015 290 S HN 0.487 nan 8.310 nan 0.000 0.486 291 D N 2.569 122.795 120.400 -0.290 0.000 2.472 291 D HA 0.225 4.853 4.640 -0.020 0.000 0.248 291 D C 1.155 177.311 176.300 -0.241 0.000 1.174 291 D CA 0.051 53.834 54.000 -0.362 0.000 0.883 291 D CB 1.081 41.222 40.800 -1.099 0.000 1.149 291 D HN 0.549 nan 8.370 nan 0.000 0.488 292 A N 4.221 126.969 122.820 -0.120 0.000 1.865 292 A HA -0.265 4.042 4.320 -0.020 0.000 0.217 292 A C 1.929 179.458 177.584 -0.092 0.000 1.191 292 A CA 2.002 53.989 52.037 -0.084 0.000 0.623 292 A CB -0.626 18.340 19.000 -0.055 0.000 0.826 292 A HN 0.656 nan 8.150 nan 0.000 0.444 293 Q N 0.245 119.988 119.800 -0.094 0.000 1.993 293 Q HA -0.112 4.215 4.340 -0.020 0.000 0.202 293 Q C 1.186 177.147 176.000 -0.065 0.000 0.984 293 Q CA 2.239 58.003 55.803 -0.065 0.000 0.837 293 Q CB -0.185 28.527 28.738 -0.043 0.000 0.902 293 Q HN 0.666 nan 8.270 nan 0.000 0.423 294 N N -0.146 118.489 118.700 -0.108 0.000 2.205 294 N HA 0.066 4.794 4.740 -0.020 0.000 0.201 294 N C -0.753 174.711 175.510 -0.077 0.000 1.128 294 N CA 0.151 53.181 53.050 -0.033 0.000 0.867 294 N CB 0.369 38.943 38.487 0.145 0.000 0.996 294 N HN 0.223 nan 8.380 nan 0.000 0.503 295 N N 1.232 119.798 118.700 -0.223 0.000 2.556 295 N HA -0.197 4.531 4.740 -0.020 0.000 0.288 295 N C -1.329 174.129 175.510 -0.088 0.000 1.226 295 N CA 0.880 53.826 53.050 -0.172 0.000 0.719 295 N CB -1.384 37.066 38.487 -0.060 0.000 0.923 295 N HN 0.391 nan 8.380 nan 0.000 0.544 296 F N -1.930 117.983 119.950 -0.061 0.000 2.596 296 F HA 0.565 5.080 4.527 -0.020 0.000 0.311 296 F C 0.234 175.934 175.800 -0.168 0.000 1.116 296 F CA -1.288 56.644 58.000 -0.113 0.000 0.957 296 F CB 0.852 39.755 39.000 -0.163 0.000 1.250 296 F HN 0.067 nan 8.300 nan 0.000 0.444 297 S N 1.719 117.432 115.700 0.021 0.000 2.565 297 S HA 0.773 5.231 4.470 -0.020 0.000 0.274 297 S C -0.688 173.754 174.600 -0.263 0.000 1.309 297 S CA -0.572 57.521 58.200 -0.178 0.000 1.043 297 S CB 1.514 64.675 63.200 -0.064 0.000 0.939 297 S HN 0.683 nan 8.310 nan 0.000 0.504 298 V N 2.471 121.965 119.914 -0.700 0.000 2.656 298 V HA 0.628 4.735 4.120 -0.020 0.000 0.307 298 V C -0.305 175.314 176.094 -0.792 0.000 1.051 298 V CA -0.631 61.212 62.300 -0.762 0.000 0.893 298 V CB 2.180 33.263 31.823 -1.234 0.000 0.999 298 V HN 1.072 nan 8.190 nan 0.000 0.426 299 T N 3.905 118.253 114.554 -0.342 0.000 2.881 299 T HA 0.424 4.761 4.350 -0.020 0.000 0.291 299 T C -0.238 174.436 174.700 -0.042 0.000 0.990 299 T CA -0.522 61.525 62.100 -0.088 0.000 0.976 299 T CB 1.278 70.171 68.868 0.041 0.000 0.970 299 T HN 0.612 nan 8.240 nan 0.000 0.438 300 R N 3.060 123.602 120.500 0.071 0.000 3.070 300 R HA 0.466 4.794 4.340 -0.020 0.000 0.252 300 R C -0.504 175.895 176.300 0.164 0.000 1.370 300 R CA -0.308 55.891 56.100 0.166 0.000 1.482 300 R CB 0.108 30.599 30.300 0.319 0.000 1.220 300 R HN 0.468 nan 8.270 nan 0.000 0.622 301 V N 5.959 125.892 119.914 0.031 0.000 2.408 301 V HA 0.373 4.480 4.120 -0.020 0.000 0.267 301 V C -2.175 173.999 176.094 0.133 0.000 1.047 301 V CA -2.266 60.025 62.300 -0.013 0.000 0.937 301 V CB 1.331 32.986 31.823 -0.281 0.000 0.999 301 V HN 0.582 nan 8.190 nan 0.000 0.472 302 P HA 0.228 nan 4.420 nan 0.000 0.282 302 P C 0.561 177.979 177.300 0.198 0.000 1.262 302 P CA -0.166 63.063 63.100 0.216 0.000 0.773 302 P CB 1.606 33.444 31.700 0.229 0.000 0.879 303 L N 2.263 123.578 121.223 0.152 0.000 2.062 303 L HA 0.161 4.489 4.340 -0.020 0.000 0.202 303 L C 1.746 178.688 176.870 0.121 0.000 1.079 303 L CA 1.480 56.397 54.840 0.127 0.000 0.755 303 L CB -0.884 41.245 42.059 0.117 0.000 0.913 303 L HN 0.462 nan 8.230 nan 0.000 0.445 304 G N -0.698 108.168 108.800 0.111 0.000 2.828 304 G HA2 0.195 4.142 3.960 -0.020 0.000 0.244 304 G HA3 0.195 4.142 3.960 -0.020 0.000 0.244 304 G C 0.474 175.432 174.900 0.097 0.000 1.365 304 G CA 0.072 45.225 45.100 0.089 0.000 1.041 304 G HN 0.349 nan 8.290 nan 0.000 0.560 305 E N -1.336 118.910 120.200 0.078 0.000 2.418 305 E HA -0.035 4.303 4.350 -0.020 0.000 0.197 305 E C 1.695 178.345 176.600 0.084 0.000 1.026 305 E CA 1.576 58.022 56.400 0.077 0.000 0.862 305 E CB 0.068 29.803 29.700 0.058 0.000 0.799 305 E HN 0.333 nan 8.360 nan 0.000 0.518 306 S N 0.204 115.954 115.700 0.084 0.000 3.148 306 S HA 0.142 4.599 4.470 -0.020 0.000 0.246 306 S C 0.822 175.493 174.600 0.119 0.000 1.041 306 S CA -0.113 58.142 58.200 0.091 0.000 0.813 306 S CB -0.318 62.920 63.200 0.063 0.000 0.813 306 S HN 0.052 nan 8.310 nan 0.000 0.546 307 V N 3.164 123.142 119.914 0.106 0.000 2.788 307 V HA 0.286 4.394 4.120 -0.020 0.000 0.307 307 V C 0.008 176.209 176.094 0.177 0.000 1.069 307 V CA 0.526 62.904 62.300 0.130 0.000 1.173 307 V CB 0.642 32.532 31.823 0.110 0.000 0.925 307 V HN 0.600 nan 8.190 nan 0.000 0.492 308 T N 5.522 120.215 114.554 0.232 0.000 2.879 308 T HA 0.448 4.786 4.350 -0.020 0.000 0.290 308 T C -0.743 174.101 174.700 0.239 0.000 0.993 308 T CA -0.375 61.873 62.100 0.246 0.000 0.975 308 T CB 1.313 70.363 68.868 0.304 0.000 0.981 308 T HN 0.493 nan 8.240 nan 0.000 0.439 309 L N 5.593 126.920 121.223 0.175 0.000 2.261 309 L HA 0.545 4.872 4.340 -0.020 0.000 0.289 309 L C -0.971 175.999 176.870 0.167 0.000 1.059 309 L CA -0.293 54.642 54.840 0.159 0.000 0.816 309 L CB -0.116 41.976 42.059 0.056 0.000 1.191 309 L HN 0.569 nan 8.230 nan 0.000 0.431 310 L N 6.493 127.861 121.223 0.241 0.000 2.292 310 L HA 0.415 4.742 4.340 -0.020 0.000 0.284 310 L C -0.549 176.464 176.870 0.238 0.000 1.065 310 L CA -0.345 54.637 54.840 0.236 0.000 0.806 310 L CB 0.912 43.171 42.059 0.334 0.000 1.175 310 L HN 0.543 nan 8.230 nan 0.000 0.431 311 L N 5.329 126.627 121.223 0.126 0.000 2.388 311 L HA 0.468 4.796 4.340 -0.020 0.000 0.267 311 L C -0.646 176.245 176.870 0.035 0.000 0.995 311 L CA -0.439 54.483 54.840 0.136 0.000 0.864 311 L CB 1.645 43.703 42.059 -0.001 0.000 1.216 311 L HN 0.468 nan 8.230 nan 0.000 0.430 312 I N 2.855 123.445 120.570 0.033 0.000 2.396 312 I HA 0.300 4.458 4.170 -0.020 0.000 0.292 312 I C 0.025 176.144 176.117 0.004 0.000 0.999 312 I CA 0.016 61.246 61.300 -0.116 0.000 1.310 312 I CB 1.365 39.104 38.000 -0.436 0.000 1.404 312 I HN 0.527 nan 8.210 nan 0.000 0.496 313 Q N 7.041 126.843 119.800 0.003 0.000 2.365 313 Q HA 0.544 4.872 4.340 -0.020 0.000 0.269 313 Q C -2.585 173.444 176.000 0.049 0.000 1.061 313 Q CA -2.052 53.788 55.803 0.063 0.000 0.816 313 Q CB 2.203 30.985 28.738 0.072 0.000 1.325 313 Q HN 0.329 nan 8.270 nan 0.000 0.446 314 P HA -0.036 nan 4.420 nan 0.000 0.276 314 P C -0.124 177.206 177.300 0.051 0.000 1.252 314 P CA -0.185 62.947 63.100 0.053 0.000 0.802 314 P CB 1.170 32.884 31.700 0.023 0.000 1.035 315 Q N 0.093 119.922 119.800 0.048 0.000 2.096 315 Q HA -0.133 4.194 4.340 -0.020 0.000 0.204 315 Q C 0.455 176.461 176.000 0.009 0.000 0.982 315 Q CA 1.566 57.382 55.803 0.022 0.000 0.850 315 Q CB -0.088 28.658 28.738 0.014 0.000 0.901 315 Q HN 0.708 nan 8.270 nan 0.000 0.422 316 C N -5.106 114.201 119.300 0.013 0.000 3.236 316 C HA 0.849 5.297 4.460 -0.020 0.000 0.312 316 C C 1.459 176.462 174.990 0.021 0.000 1.374 316 C CA -0.577 58.444 59.018 0.005 0.000 1.455 316 C CB 0.856 28.596 27.740 -0.001 0.000 1.834 316 C HN 0.317 nan 8.230 nan 0.000 0.460 317 A N 1.334 124.172 122.820 0.031 0.000 1.883 317 A HA -0.095 4.213 4.320 -0.020 0.000 0.217 317 A C 2.202 179.812 177.584 0.044 0.000 1.186 317 A CA 2.986 55.055 52.037 0.055 0.000 0.624 317 A CB -1.327 17.733 19.000 0.100 0.000 0.822 317 A HN 1.803 nan 8.150 nan 0.000 0.444 318 S N -0.665 115.059 115.700 0.039 0.000 2.481 318 S HA -0.109 4.349 4.470 -0.020 0.000 0.231 318 S C 1.332 175.943 174.600 0.019 0.000 0.996 318 S CA 1.271 59.488 58.200 0.029 0.000 0.942 318 S CB -0.340 62.878 63.200 0.029 0.000 0.768 318 S HN 0.540 nan 8.310 nan 0.000 0.520 319 D N 0.746 121.157 120.400 0.018 0.000 2.363 319 D HA 0.051 4.679 4.640 -0.020 0.000 0.220 319 D C 1.569 177.869 176.300 0.000 0.000 0.994 319 D CA 0.054 54.062 54.000 0.013 0.000 0.890 319 D CB -0.288 40.525 40.800 0.021 0.000 0.906 319 D HN 0.282 nan 8.370 nan 0.000 0.530 320 L N 0.608 121.830 121.223 -0.001 0.000 2.017 320 L HA -0.140 4.187 4.340 -0.020 0.000 0.208 320 L C 1.446 178.292 176.870 -0.040 0.000 1.073 320 L CA 1.853 56.679 54.840 -0.024 0.000 0.745 320 L CB -0.897 41.161 42.059 -0.000 0.000 0.894 320 L HN -0.030 nan 8.230 nan 0.000 0.432 321 D N -0.444 119.943 120.400 -0.021 0.000 2.127 321 D HA -0.283 4.345 4.640 -0.020 0.000 0.190 321 D C 2.294 178.572 176.300 -0.036 0.000 1.000 321 D CA 1.752 55.737 54.000 -0.024 0.000 0.839 321 D CB -0.183 40.609 40.800 -0.015 0.000 0.955 321 D HN 0.342 nan 8.370 nan 0.000 0.446 322 R N 0.551 121.035 120.500 -0.027 0.000 2.080 322 R HA -0.141 4.187 4.340 -0.020 0.000 0.236 322 R C 2.378 178.643 176.300 -0.057 0.000 1.137 322 R CA 1.389 57.475 56.100 -0.022 0.000 0.943 322 R CB -0.445 29.856 30.300 0.001 0.000 0.846 322 R HN 0.038 nan 8.270 nan 0.000 0.431 323 V N 1.441 121.301 119.914 -0.089 0.000 2.282 323 V HA -0.292 3.816 4.120 -0.020 0.000 0.249 323 V C 2.422 178.310 176.094 -0.342 0.000 1.057 323 V CA 2.345 64.518 62.300 -0.213 0.000 1.032 323 V CB -0.689 30.984 31.823 -0.250 0.000 0.645 323 V HN 0.516 nan 8.190 nan 0.000 0.447 324 E N 0.089 120.137 120.200 -0.254 0.000 2.038 324 E HA -0.251 4.087 4.350 -0.020 0.000 0.195 324 E C 2.209 178.740 176.600 -0.115 0.000 1.000 324 E CA 1.984 58.266 56.400 -0.196 0.000 0.803 324 E CB -0.215 29.478 29.700 -0.012 0.000 0.750 324 E HN 0.530 nan 8.360 nan 0.000 0.448 325 V N 1.403 121.264 119.914 -0.088 0.000 2.469 325 V HA -0.210 3.898 4.120 -0.020 0.000 0.251 325 V C 2.290 178.290 176.094 -0.157 0.000 1.064 325 V CA 2.160 64.399 62.300 -0.101 0.000 1.066 325 V CB -0.533 31.252 31.823 -0.062 0.000 0.667 325 V HN 0.222 nan 8.190 nan 0.000 0.461 326 L N -0.027 121.139 121.223 -0.095 0.000 2.130 326 L HA 0.060 4.388 4.340 -0.020 0.000 0.200 326 L C 2.495 179.381 176.870 0.026 0.000 1.075 326 L CA 2.553 57.429 54.840 0.060 0.000 0.768 326 L CB -0.058 42.041 42.059 0.066 0.000 0.933 326 L HN 0.374 nan 8.230 nan 0.000 0.451 327 V N -2.273 117.402 119.914 -0.399 0.000 2.331 327 V HA -0.089 4.019 4.120 -0.020 0.000 0.242 327 V C 2.242 178.109 176.094 -0.379 0.000 1.034 327 V CA 1.446 63.236 62.300 -0.850 0.000 1.027 327 V CB -1.141 29.523 31.823 -1.932 0.000 0.667 327 V HN 0.353 nan 8.190 nan 0.000 0.457 328 F N 0.838 120.584 119.950 -0.339 0.000 2.037 328 F HA 0.031 4.547 4.527 -0.020 0.000 0.291 328 F C 2.190 177.807 175.800 -0.305 0.000 1.137 328 F CA 1.094 58.988 58.000 -0.176 0.000 1.178 328 F CB -0.339 38.540 39.000 -0.201 0.000 0.995 328 F HN 0.127 nan 8.300 nan 0.000 0.472 329 Q N 1.564 121.334 119.800 -0.050 0.000 2.871 329 Q HA -0.012 4.316 4.340 -0.020 0.000 0.218 329 Q C -1.259 174.261 176.000 -0.800 0.000 1.204 329 Q CA 0.502 56.153 55.803 -0.254 0.000 0.922 329 Q CB -0.780 27.836 28.738 -0.203 0.000 1.751 329 Q HN 0.326 nan 8.270 nan 0.000 0.476 330 H N -0.691 117.972 119.070 -0.678 0.000 3.123 330 H HA -0.026 4.518 4.556 -0.020 0.000 0.346 330 H C 0.105 174.646 175.328 -1.313 0.000 1.138 330 H CA -0.872 54.564 56.048 -1.020 0.000 1.273 330 H CB 1.142 29.979 29.762 -1.541 0.000 1.926 330 H HN 0.369 nan 8.280 nan 0.000 0.524 331 D N 1.565 121.431 120.400 -0.889 0.000 2.172 331 D HA -0.195 4.433 4.640 -0.020 0.000 0.196 331 D C 0.860 176.853 176.300 -0.512 0.000 0.999 331 D CA 1.293 54.788 54.000 -0.841 0.000 0.856 331 D CB -0.386 39.834 40.800 -0.965 0.000 0.934 331 D HN 0.238 nan 8.370 nan 0.000 0.453 332 F N -0.427 119.384 119.950 -0.231 0.000 2.418 332 F HA 0.462 4.977 4.527 -0.020 0.000 0.341 332 F C 0.203 175.877 175.800 -0.210 0.000 1.120 332 F CA -1.451 56.458 58.000 -0.152 0.000 1.232 332 F CB 0.442 39.380 39.000 -0.104 0.000 1.175 332 F HN -0.203 nan 8.300 nan 0.000 0.569 333 L N 2.588 123.768 121.223 -0.072 0.000 2.960 333 L HA 0.178 4.506 4.340 -0.020 0.000 0.274 333 L C 1.136 177.628 176.870 -0.629 0.000 1.327 333 L CA 0.026 54.466 54.840 -0.667 0.000 0.860 333 L CB 0.384 42.094 42.059 -0.581 0.000 1.239 333 L HN 0.997 nan 8.230 nan 0.000 0.551 334 T N -4.005 110.346 114.554 -0.337 0.000 3.055 334 T HA -0.105 4.232 4.350 -0.020 0.000 0.265 334 T C 1.484 176.106 174.700 -0.131 0.000 1.111 334 T CA 0.155 62.121 62.100 -0.223 0.000 1.118 334 T CB -0.153 68.582 68.868 -0.221 0.000 0.909 334 T HN 0.636 nan 8.240 nan 0.000 0.501 335 W N 1.331 122.702 121.300 0.117 0.000 2.800 335 W HA 0.372 5.019 4.660 -0.021 0.000 0.249 335 W C 0.136 176.837 176.519 0.303 0.000 1.294 335 W CA -0.795 56.703 57.345 0.254 0.000 1.402 335 W CB -0.758 28.981 29.460 0.466 0.000 1.126 335 W HN 0.187 nan 8.180 nan 0.000 0.652 336 I N 3.163 123.645 120.570 -0.147 0.000 2.363 336 I HA 0.087 4.245 4.170 -0.020 0.000 0.292 336 I C 0.408 176.343 176.117 -0.302 0.000 1.075 336 I CA 0.528 61.782 61.300 -0.078 0.000 1.333 336 I CB 0.347 38.120 38.000 -0.377 0.000 1.415 336 I HN -0.196 nan 8.210 nan 0.000 0.502 337 K N 4.912 124.877 120.400 -0.725 0.000 2.307 337 K HA 0.458 4.765 4.320 -0.020 0.000 0.239 337 K C -0.170 175.996 176.600 -0.722 0.000 1.083 337 K CA -1.029 54.767 56.287 -0.819 0.000 0.913 337 K CB 1.242 33.092 32.500 -1.084 0.000 1.322 337 K HN 0.364 nan 8.250 nan 0.000 0.514 338 N N 1.744 120.158 118.700 -0.477 0.000 2.751 338 N HA 0.219 4.946 4.740 -0.020 0.000 0.238 338 N C -2.794 172.638 175.510 -0.130 0.000 1.351 338 N CA -0.897 52.023 53.050 -0.217 0.000 0.751 338 N CB 1.049 39.468 38.487 -0.113 0.000 1.342 338 N HN 0.430 nan 8.380 nan 0.000 0.540 339 P HA 0.578 nan 4.420 nan 0.000 0.284 339 P C -2.915 174.426 177.300 0.068 0.000 1.287 339 P CA -1.395 61.711 63.100 0.011 0.000 0.824 339 P CB 0.013 31.759 31.700 0.077 0.000 1.180 340 P HA 0.195 nan 4.420 nan 0.000 0.262 340 P C -2.162 175.198 177.300 0.100 0.000 1.199 340 P CA -0.378 62.761 63.100 0.066 0.000 0.763 340 P CB -1.113 30.616 31.700 0.048 0.000 0.790 341 P HA 0.117 nan 4.420 nan 0.000 0.270 341 P C -0.050 177.299 177.300 0.082 0.000 1.227 341 P CA 0.095 63.264 63.100 0.115 0.000 0.788 341 P CB 0.553 32.302 31.700 0.083 0.000 0.926 342 R N -0.616 119.931 120.500 0.079 0.000 2.766 342 R HA 0.781 5.109 4.340 -0.020 0.000 0.270 342 R C -1.452 174.848 176.300 -0.001 0.000 1.035 342 R CA -1.249 54.876 56.100 0.042 0.000 0.911 342 R CB 0.870 31.210 30.300 0.066 0.000 1.243 342 R HN 0.317 nan 8.270 nan 0.000 0.460 343 A N 1.846 124.654 122.820 -0.020 0.000 2.395 343 A HA 0.499 4.807 4.320 -0.020 0.000 0.286 343 A C -0.252 177.317 177.584 -0.025 0.000 1.193 343 A CA -0.280 51.728 52.037 -0.048 0.000 0.852 343 A CB -0.374 18.599 19.000 -0.044 0.000 1.118 343 A HN 0.531 nan 8.150 nan 0.000 0.524 344 I N 1.989 122.556 120.570 -0.005 0.000 2.619 344 I HA 0.379 4.537 4.170 -0.020 0.000 0.292 344 I C 0.155 176.338 176.117 0.109 0.000 1.100 344 I CA -0.572 60.770 61.300 0.070 0.000 1.043 344 I CB 2.388 40.507 38.000 0.198 0.000 1.239 344 I HN 0.752 nan 8.210 nan 0.000 0.420 345 R N 5.904 126.438 120.500 0.058 0.000 2.346 345 R HA 0.455 4.783 4.340 -0.020 0.000 0.309 345 R C -1.403 174.936 176.300 0.064 0.000 1.119 345 R CA -0.633 55.497 56.100 0.051 0.000 1.112 345 R CB 0.611 30.912 30.300 0.002 0.000 1.132 345 R HN 0.514 nan 8.270 nan 0.000 0.538 346 L N 3.285 124.585 121.223 0.129 0.000 2.349 346 L HA 0.380 4.708 4.340 -0.020 0.000 0.275 346 L C -0.857 176.081 176.870 0.115 0.000 1.115 346 L CA 0.732 55.633 54.840 0.102 0.000 0.820 346 L CB 1.777 43.898 42.059 0.105 0.000 1.135 346 L HN 0.587 nan 8.230 nan 0.000 0.445 347 T N 6.727 121.299 114.554 0.030 0.000 2.881 347 T HA 0.630 4.968 4.350 -0.020 0.000 0.291 347 T C -0.727 173.936 174.700 -0.061 0.000 0.990 347 T CA -0.446 61.655 62.100 0.002 0.000 0.976 347 T CB 0.823 69.668 68.868 -0.037 0.000 0.970 347 T HN 0.595 nan 8.240 nan 0.000 0.438 348 L N 1.153 122.323 121.223 -0.089 0.000 2.327 348 L HA 0.897 5.225 4.340 -0.020 0.000 0.258 348 L C -3.161 173.636 176.870 -0.121 0.000 1.024 348 L CA -3.211 51.525 54.840 -0.173 0.000 0.825 348 L CB 1.357 43.222 42.059 -0.323 0.000 1.386 348 L HN 0.193 nan 8.230 nan 0.000 0.417 349 P HA 0.026 nan 4.420 nan 0.000 0.271 349 P C -1.248 175.988 177.300 -0.108 0.000 1.218 349 P CA -0.116 62.914 63.100 -0.116 0.000 0.780 349 P CB 0.476 32.042 31.700 -0.223 0.000 0.901 350 Q N 3.235 122.987 119.800 -0.079 0.000 2.359 350 Q HA 0.090 4.417 4.340 -0.020 0.000 0.249 350 Q C -0.705 175.242 176.000 -0.088 0.000 1.181 350 Q CA -0.058 55.701 55.803 -0.074 0.000 0.897 350 Q CB -0.466 28.250 28.738 -0.038 0.000 1.424 350 Q HN 0.444 nan 8.270 nan 0.000 0.478 351 L N 3.753 124.908 121.223 -0.114 0.000 2.410 351 L HA 0.145 4.473 4.340 -0.020 0.000 0.273 351 L C 0.717 177.529 176.870 -0.096 0.000 1.152 351 L CA 0.436 55.201 54.840 -0.126 0.000 0.855 351 L CB 0.518 42.460 42.059 -0.196 0.000 1.129 351 L HN 0.627 nan 8.230 nan 0.000 0.463 352 E N 3.771 123.927 120.200 -0.073 0.000 3.846 352 E HA 0.294 4.632 4.350 -0.020 0.000 0.216 352 E C -0.451 176.132 176.600 -0.028 0.000 1.092 352 E CA -0.332 56.043 56.400 -0.042 0.000 1.370 352 E CB 0.616 30.302 29.700 -0.023 0.000 1.227 352 E HN 0.512 nan 8.360 nan 0.000 0.442 353 I N 1.620 122.164 120.570 -0.044 0.000 2.683 353 I HA -0.009 4.149 4.170 -0.020 0.000 0.286 353 I C 0.548 176.687 176.117 0.037 0.000 1.175 353 I CA 0.917 62.217 61.300 -0.001 0.000 1.429 353 I CB 0.312 38.320 38.000 0.013 0.000 1.371 353 I HN 0.019 nan 8.210 nan 0.000 0.569 354 R N 4.090 124.628 120.500 0.063 0.000 2.686 354 R HA 0.758 5.085 4.340 -0.020 0.000 0.286 354 R C -0.458 175.910 176.300 0.113 0.000 0.969 354 R CA -0.799 55.354 56.100 0.089 0.000 0.898 354 R CB 2.290 32.638 30.300 0.081 0.000 1.183 354 R HN 0.814 nan 8.270 nan 0.000 0.456 355 G N -0.182 108.704 108.800 0.144 0.000 2.718 355 G HA2 0.501 4.449 3.960 -0.020 0.000 0.295 355 G HA3 0.501 4.449 3.960 -0.020 0.000 0.295 355 G C -1.575 173.434 174.900 0.182 0.000 1.421 355 G CA -0.350 44.852 45.100 0.170 0.000 0.902 355 G HN 0.379 nan 8.290 nan 0.000 0.501 356 S N -0.280 115.534 115.700 0.190 0.000 2.562 356 S HA 0.727 5.185 4.470 -0.020 0.000 0.274 356 S C -1.689 173.013 174.600 0.170 0.000 1.160 356 S CA -0.754 57.514 58.200 0.113 0.000 0.933 356 S CB 0.745 63.992 63.200 0.078 0.000 1.100 356 S HN 1.491 nan 8.310 nan 0.000 0.468 357 Y N 1.857 122.174 120.300 0.028 0.000 2.479 357 Y HA 0.653 5.192 4.550 -0.019 0.000 0.338 357 Y C -0.701 175.198 175.900 -0.002 0.000 1.055 357 Y CA -1.205 56.900 58.100 0.007 0.000 1.023 357 Y CB 0.760 39.218 38.460 -0.003 0.000 1.287 357 Y HN 0.531 nan 8.280 nan 0.000 0.447 358 N N 3.481 122.217 118.700 0.061 0.000 2.405 358 N HA 0.021 4.749 4.740 -0.020 0.000 0.260 358 N C 0.475 176.029 175.510 0.073 0.000 1.152 358 N CA -0.291 52.756 53.050 -0.005 0.000 0.948 358 N CB 1.210 39.684 38.487 -0.021 0.000 1.111 358 N HN 0.958 nan 8.380 nan 0.000 0.485 359 L N 3.499 124.752 121.223 0.050 0.000 2.187 359 L HA -0.127 4.200 4.340 -0.020 0.000 0.213 359 L C 1.845 178.723 176.870 0.013 0.000 1.100 359 L CA 1.666 56.569 54.840 0.105 0.000 0.765 359 L CB -0.441 41.651 42.059 0.056 0.000 0.904 359 L HN 0.624 nan 8.230 nan 0.000 0.437 360 Q N -0.398 119.379 119.800 -0.039 0.000 2.135 360 Q HA -0.200 4.128 4.340 -0.020 0.000 0.204 360 Q C 1.847 177.826 176.000 -0.036 0.000 0.981 360 Q CA 1.736 57.498 55.803 -0.068 0.000 0.856 360 Q CB -0.393 28.294 28.738 -0.085 0.000 0.902 360 Q HN 0.603 nan 8.270 nan 0.000 0.425 361 D N 0.296 120.691 120.400 -0.008 0.000 2.144 361 D HA -0.078 4.549 4.640 -0.020 0.000 0.200 361 D C 2.119 178.415 176.300 -0.007 0.000 0.978 361 D CA 0.628 54.626 54.000 -0.003 0.000 0.833 361 D CB -0.048 40.760 40.800 0.014 0.000 0.961 361 D HN 0.223 nan 8.370 nan 0.000 0.470 362 L N 0.302 121.531 121.223 0.009 0.000 2.056 362 L HA -0.078 4.249 4.340 -0.020 0.000 0.207 362 L C 2.603 179.457 176.870 -0.027 0.000 1.078 362 L CA 0.629 55.459 54.840 -0.016 0.000 0.749 362 L CB -0.549 41.505 42.059 -0.009 0.000 0.901 362 L HN 0.036 nan 8.230 nan 0.000 0.433 363 L N 0.117 121.323 121.223 -0.028 0.000 2.079 363 L HA -0.205 4.123 4.340 -0.020 0.000 0.210 363 L C 2.884 179.731 176.870 -0.040 0.000 1.081 363 L CA 1.198 56.012 54.840 -0.043 0.000 0.752 363 L CB -0.666 41.351 42.059 -0.070 0.000 0.896 363 L HN 0.253 nan 8.230 nan 0.000 0.433 364 A N -1.145 121.653 122.820 -0.037 0.000 1.929 364 A HA -0.184 4.123 4.320 -0.020 0.000 0.216 364 A C 2.245 179.813 177.584 -0.028 0.000 1.176 364 A CA 1.048 53.066 52.037 -0.032 0.000 0.628 364 A CB -0.330 18.653 19.000 -0.029 0.000 0.816 364 A HN 0.338 nan 8.150 nan 0.000 0.444 365 Q N -0.668 119.114 119.800 -0.030 0.000 2.224 365 Q HA -0.014 4.314 4.340 -0.020 0.000 0.203 365 Q C 1.902 177.884 176.000 -0.030 0.000 0.970 365 Q CA 1.218 57.002 55.803 -0.032 0.000 0.865 365 Q CB -0.300 28.413 28.738 -0.042 0.000 0.922 365 Q HN 0.626 nan 8.270 nan 0.000 0.445 366 A N 0.427 123.230 122.820 -0.029 0.000 2.278 366 A HA 0.043 4.351 4.320 -0.020 0.000 0.212 366 A C 0.251 177.824 177.584 -0.018 0.000 1.213 366 A CA -0.029 51.995 52.037 -0.022 0.000 0.840 366 A CB -0.039 18.949 19.000 -0.021 0.000 0.866 366 A HN 0.316 nan 8.150 nan 0.000 0.489 367 K N -1.128 119.260 120.400 -0.021 0.000 3.096 367 K HA -0.162 4.146 4.320 -0.020 0.000 0.266 367 K C -0.574 176.014 176.600 -0.020 0.000 1.043 367 K CA 0.887 57.163 56.287 -0.018 0.000 0.758 367 K CB -1.992 30.500 32.500 -0.012 0.000 1.260 367 K HN 0.523 nan 8.250 nan 0.000 0.481 368 L N 0.248 121.454 121.223 -0.028 0.000 3.083 368 L HA 0.093 4.421 4.340 -0.020 0.000 0.286 368 L C 1.579 178.420 176.870 -0.048 0.000 1.307 368 L CA -0.061 54.758 54.840 -0.035 0.000 0.897 368 L CB 0.840 42.877 42.059 -0.037 0.000 1.306 368 L HN 0.265 nan 8.230 nan 0.000 0.569 369 S N -1.967 113.708 115.700 -0.042 0.000 2.428 369 S HA -0.132 4.326 4.470 -0.020 0.000 0.230 369 S C 1.758 176.326 174.600 -0.054 0.000 1.014 369 S CA 1.267 59.438 58.200 -0.048 0.000 0.957 369 S CB -0.370 62.809 63.200 -0.035 0.000 0.784 369 S HN 0.568 nan 8.310 nan 0.000 0.499 370 T N -0.575 113.952 114.554 -0.046 0.000 3.107 370 T HA 0.326 4.664 4.350 -0.020 0.000 0.249 370 T C 1.484 176.151 174.700 -0.056 0.000 1.096 370 T CA 0.184 62.257 62.100 -0.045 0.000 1.012 370 T CB -0.326 68.524 68.868 -0.030 0.000 0.977 370 T HN 0.334 nan 8.240 nan 0.000 0.527 371 L N 0.375 121.558 121.223 -0.067 0.000 1.994 371 L HA 0.226 4.554 4.340 -0.020 0.000 0.208 371 L C 1.345 178.144 176.870 -0.117 0.000 1.071 371 L CA 1.512 56.305 54.840 -0.079 0.000 0.745 371 L CB -0.054 41.956 42.059 -0.082 0.000 0.892 371 L HN 0.287 nan 8.230 nan 0.000 0.431 372 L N 0.028 121.152 121.223 -0.165 0.000 3.094 372 L HA 0.316 4.644 4.340 -0.020 0.000 0.254 372 L C 0.878 177.655 176.870 -0.155 0.000 1.298 372 L CA -0.425 54.278 54.840 -0.229 0.000 1.050 372 L CB -0.118 41.685 42.059 -0.427 0.000 1.420 372 L HN 0.217 nan 8.230 nan 0.000 0.548 373 G N -0.291 108.450 108.800 -0.098 0.000 2.489 373 G HA2 0.321 4.269 3.960 -0.020 0.000 0.271 373 G HA3 0.321 4.269 3.960 -0.020 0.000 0.271 373 G C 1.055 175.928 174.900 -0.044 0.000 1.427 373 G CA 0.328 45.389 45.100 -0.064 0.000 1.057 373 G HN 0.241 nan 8.290 nan 0.000 0.532 374 A N -1.306 121.498 122.820 -0.026 0.000 2.067 374 A HA 0.118 4.425 4.320 -0.020 0.000 0.219 374 A C 1.782 179.358 177.584 -0.013 0.000 1.158 374 A CA 1.533 53.562 52.037 -0.012 0.000 0.661 374 A CB -0.143 18.854 19.000 -0.005 0.000 0.801 374 A HN 0.453 nan 8.150 nan 0.000 0.452 375 E N -0.116 120.072 120.200 -0.019 0.000 2.394 375 E HA 0.432 4.770 4.350 -0.020 0.000 0.191 375 E C 0.225 176.811 176.600 -0.023 0.000 1.044 375 E CA 0.309 56.698 56.400 -0.018 0.000 0.939 375 E CB 0.255 29.946 29.700 -0.015 0.000 1.089 375 E HN 0.513 nan 8.360 nan 0.000 0.456 376 A N 1.234 124.035 122.820 -0.031 0.000 2.401 376 A HA 0.272 4.580 4.320 -0.020 0.000 0.259 376 A C 0.135 177.703 177.584 -0.027 0.000 1.103 376 A CA -0.454 51.561 52.037 -0.037 0.000 0.789 376 A CB 0.236 19.200 19.000 -0.061 0.000 1.035 376 A HN 0.084 nan 8.150 nan 0.000 0.491 377 N N 2.596 121.281 118.700 -0.026 0.000 2.645 377 N HA 0.284 5.012 4.740 -0.020 0.000 0.233 377 N C -0.761 174.726 175.510 -0.038 0.000 1.058 377 N CA -0.085 52.948 53.050 -0.028 0.000 0.942 377 N CB -0.084 38.388 38.487 -0.024 0.000 1.210 377 N HN 0.561 nan 8.380 nan 0.000 0.512 378 L N 2.099 123.296 121.223 -0.042 0.000 3.047 378 L HA 0.369 4.697 4.340 -0.020 0.000 0.242 378 L C 1.762 178.566 176.870 -0.111 0.000 1.315 378 L CA -0.508 54.289 54.840 -0.072 0.000 1.042 378 L CB 0.577 42.618 42.059 -0.029 0.000 1.420 378 L HN 0.473 nan 8.230 nan 0.000 0.517 379 G N 0.106 108.853 108.800 -0.088 0.000 2.432 379 G HA2 -0.199 3.749 3.960 -0.020 0.000 0.219 379 G HA3 -0.199 3.749 3.960 -0.020 0.000 0.219 379 G C 1.517 176.354 174.900 -0.105 0.000 1.135 379 G CA 0.304 45.355 45.100 -0.081 0.000 0.767 379 G HN 0.360 nan 8.290 nan 0.000 0.550 380 K N -0.404 119.916 120.400 -0.133 0.000 2.442 380 K HA 0.141 4.448 4.320 -0.020 0.000 0.198 380 K C 2.390 178.853 176.600 -0.229 0.000 1.042 380 K CA 0.396 56.607 56.287 -0.127 0.000 0.958 380 K CB -0.117 32.326 32.500 -0.095 0.000 0.766 380 K HN 0.356 nan 8.250 nan 0.000 0.474 381 M N -0.366 118.992 119.600 -0.403 0.000 2.236 381 M HA -0.007 4.461 4.480 -0.020 0.000 0.266 381 M C 1.129 177.296 176.300 -0.223 0.000 1.070 381 M CA 0.899 55.824 55.300 -0.626 0.000 1.137 381 M CB 0.271 32.469 32.600 -0.669 0.000 1.378 381 M HN 0.153 nan 8.290 nan 0.000 0.426 382 G N -1.429 107.287 108.800 -0.140 0.000 2.619 382 G HA2 0.176 4.123 3.960 -0.020 0.000 0.305 382 G HA3 0.176 4.123 3.960 -0.020 0.000 0.305 382 G C -0.956 173.907 174.900 -0.060 0.000 1.330 382 G CA -0.512 44.537 45.100 -0.085 0.000 0.789 382 G HN -0.060 nan 8.290 nan 0.000 0.487 383 D N -0.196 120.172 120.400 -0.053 0.000 2.182 383 D HA 0.055 4.683 4.640 -0.020 0.000 0.201 383 D C 1.553 177.834 176.300 -0.032 0.000 0.986 383 D CA 2.007 55.985 54.000 -0.035 0.000 0.847 383 D CB 0.108 40.888 40.800 -0.033 0.000 0.942 383 D HN 0.564 nan 8.370 nan 0.000 0.467 384 T N -2.298 112.234 114.554 -0.036 0.000 2.906 384 T HA 0.335 4.673 4.350 -0.020 0.000 0.295 384 T C -0.306 174.376 174.700 -0.031 0.000 1.075 384 T CA -1.094 60.989 62.100 -0.028 0.000 1.005 384 T CB 1.690 70.546 68.868 -0.020 0.000 1.136 384 T HN -0.240 nan 8.240 nan 0.000 0.498 385 N N 3.400 122.085 118.700 -0.024 0.000 2.427 385 N HA 0.250 4.978 4.740 -0.020 0.000 0.269 385 N C -2.277 173.229 175.510 -0.006 0.000 1.235 385 N CA -1.328 51.709 53.050 -0.022 0.000 0.934 385 N CB 0.121 38.597 38.487 -0.018 0.000 1.121 385 N HN 0.434 nan 8.380 nan 0.000 0.480 386 P HA 0.268 nan 4.420 nan 0.000 0.286 386 P C -0.898 176.435 177.300 0.056 0.000 1.269 386 P CA -0.508 62.612 63.100 0.034 0.000 0.787 386 P CB 0.770 32.496 31.700 0.044 0.000 0.920 387 R N 2.140 122.679 120.500 0.065 0.000 2.351 387 R HA 0.228 4.556 4.340 -0.020 0.000 0.321 387 R C -0.250 176.120 176.300 0.118 0.000 1.182 387 R CA -0.263 55.879 56.100 0.070 0.000 1.011 387 R CB -0.718 29.619 30.300 0.062 0.000 1.048 387 R HN 0.254 nan 8.270 nan 0.000 0.490 388 V N 4.169 124.150 119.914 0.113 0.000 2.364 388 V HA 0.088 4.195 4.120 -0.020 0.000 0.252 388 V C 1.640 177.789 176.094 0.091 0.000 1.075 388 V CA 0.451 62.853 62.300 0.170 0.000 1.033 388 V CB 0.369 32.315 31.823 0.205 0.000 1.116 388 V HN 0.969 nan 8.190 nan 0.000 0.488 389 G N 5.254 114.136 108.800 0.136 0.000 2.637 389 G HA2 -0.098 3.850 3.960 -0.020 0.000 0.215 389 G HA3 -0.098 3.850 3.960 -0.020 0.000 0.215 389 G C 0.485 175.276 174.900 -0.182 0.000 1.289 389 G CA 0.507 45.621 45.100 0.024 0.000 0.816 389 G HN 0.764 nan 8.290 nan 0.000 0.580 390 E N -0.996 118.892 120.200 -0.520 0.000 2.207 390 E HA 0.550 4.888 4.350 -0.020 0.000 0.270 390 E C -1.673 174.794 176.600 -0.221 0.000 0.927 390 E CA -0.897 55.252 56.400 -0.419 0.000 0.799 390 E CB 2.523 31.889 29.700 -0.557 0.000 1.172 390 E HN -0.003 nan 8.360 nan 0.000 0.404 391 V N 4.349 124.217 119.914 -0.077 0.000 2.276 391 V HA 0.200 4.308 4.120 -0.020 0.000 0.268 391 V C -0.025 176.067 176.094 -0.003 0.000 1.032 391 V CA -0.598 61.750 62.300 0.081 0.000 0.810 391 V CB 0.400 32.283 31.823 0.100 0.000 1.060 391 V HN 0.699 nan 8.190 nan 0.000 0.446 392 L N 3.672 124.875 121.223 -0.032 0.000 2.417 392 L HA 0.423 4.751 4.340 -0.020 0.000 0.268 392 L C 0.363 177.079 176.870 -0.256 0.000 1.158 392 L CA 0.170 54.907 54.840 -0.171 0.000 0.819 392 L CB 0.796 42.749 42.059 -0.176 0.000 1.112 392 L HN 0.604 nan 8.230 nan 0.000 0.458 393 N N 1.130 119.536 118.700 -0.490 0.000 2.346 393 N HA 0.362 5.089 4.740 -0.020 0.000 0.289 393 N C -1.482 173.789 175.510 -0.397 0.000 1.027 393 N CA -0.429 52.329 53.050 -0.488 0.000 0.864 393 N CB 2.033 40.054 38.487 -0.776 0.000 1.370 393 N HN 0.451 nan 8.380 nan 0.000 0.481 394 S N 2.262 117.857 115.700 -0.175 0.000 2.594 394 S HA 0.520 4.978 4.470 -0.020 0.000 0.296 394 S C -0.531 174.167 174.600 0.164 0.000 1.124 394 S CA -0.530 57.678 58.200 0.013 0.000 1.011 394 S CB 1.235 64.480 63.200 0.076 0.000 1.016 394 S HN 0.379 nan 8.310 nan 0.000 0.485 395 I N 3.312 123.996 120.570 0.189 0.000 2.410 395 I HA 0.344 4.502 4.170 -0.020 0.000 0.286 395 I C -1.214 174.991 176.117 0.147 0.000 1.009 395 I CA -0.809 60.621 61.300 0.216 0.000 1.111 395 I CB 1.699 39.880 38.000 0.301 0.000 1.262 395 I HN 0.374 nan 8.210 nan 0.000 0.443 396 L N 8.210 129.486 121.223 0.088 0.000 2.272 396 L HA 0.492 4.820 4.340 -0.020 0.000 0.284 396 L C -1.108 175.770 176.870 0.013 0.000 1.045 396 L CA -0.144 54.724 54.840 0.047 0.000 0.842 396 L CB 0.914 42.964 42.059 -0.015 0.000 1.224 396 L HN 0.537 nan 8.230 nan 0.000 0.430 397 L N 4.847 126.044 121.223 -0.043 0.000 2.272 397 L HA 0.518 4.846 4.340 -0.020 0.000 0.289 397 L C -0.514 176.303 176.870 -0.088 0.000 1.032 397 L CA -0.155 54.601 54.840 -0.140 0.000 0.810 397 L CB 0.885 42.781 42.059 -0.272 0.000 1.205 397 L HN 0.626 nan 8.230 nan 0.000 0.422 398 E N 5.104 125.262 120.200 -0.070 0.000 2.187 398 E HA 0.413 4.751 4.350 -0.020 0.000 0.268 398 E C -1.409 175.144 176.600 -0.079 0.000 0.896 398 E CA -0.816 55.541 56.400 -0.072 0.000 0.766 398 E CB 2.453 32.127 29.700 -0.044 0.000 1.142 398 E HN 0.324 nan 8.360 nan 0.000 0.408 399 L N 3.454 124.614 121.223 -0.104 0.000 2.324 399 L HA 0.264 4.592 4.340 -0.020 0.000 0.274 399 L C -0.331 176.475 176.870 -0.107 0.000 1.012 399 L CA 0.025 54.796 54.840 -0.114 0.000 0.859 399 L CB 1.073 43.029 42.059 -0.172 0.000 1.224 399 L HN 0.496 nan 8.230 nan 0.000 0.429 400 Q N 1.180 120.929 119.800 -0.085 0.000 2.286 400 Q HA 0.831 5.159 4.340 -0.020 0.000 0.250 400 Q C -0.213 175.767 176.000 -0.034 0.000 1.021 400 Q CA -1.143 54.627 55.803 -0.054 0.000 0.930 400 Q CB 1.425 30.139 28.738 -0.041 0.000 1.266 400 Q HN 0.654 nan 8.270 nan 0.000 0.491 401 A N 0.002 122.824 122.820 0.002 0.000 2.445 401 A HA 0.412 4.720 4.320 -0.020 0.000 0.242 401 A C 0.876 178.490 177.584 0.050 0.000 1.075 401 A CA 0.439 52.505 52.037 0.047 0.000 0.777 401 A CB 0.046 19.079 19.000 0.054 0.000 1.013 401 A HN 0.858 nan 8.150 nan 0.000 0.493 402 G N 0.500 109.358 108.800 0.097 0.000 2.518 402 G HA2 0.315 4.263 3.960 -0.020 0.000 0.213 402 G HA3 0.315 4.263 3.960 -0.020 0.000 0.213 402 G C 0.535 175.471 174.900 0.060 0.000 1.226 402 G CA 1.175 46.325 45.100 0.084 0.000 0.822 402 G HN 0.968 nan 8.290 nan 0.000 0.546 419 V N 5.218 125.120 119.914 -0.020 0.000 2.324 419 V HA 0.382 4.490 4.120 -0.020 0.000 0.244 419 V C 0.442 176.519 176.094 -0.028 0.000 1.144 419 V CA -0.440 61.845 62.300 -0.025 0.000 1.158 419 V CB -0.849 30.957 31.823 -0.029 0.000 1.254 419 V HN 0.391 nan 8.190 nan 0.000 0.492 420 L N 4.419 125.622 121.223 -0.033 0.000 2.499 420 L HA 0.546 4.874 4.340 -0.020 0.000 0.273 420 L C -0.261 176.571 176.870 -0.064 0.000 1.195 420 L CA 0.143 54.955 54.840 -0.046 0.000 0.882 420 L CB -0.010 42.018 42.059 -0.051 0.000 1.133 420 L HN 0.772 nan 8.230 nan 0.000 0.483 421 D N 3.070 123.436 120.400 -0.057 0.000 2.278 421 D HA 0.410 5.038 4.640 -0.020 0.000 0.245 421 D C -0.347 175.913 176.300 -0.067 0.000 1.052 421 D CA -0.706 53.265 54.000 -0.049 0.000 0.834 421 D CB 2.102 42.886 40.800 -0.027 0.000 1.194 421 D HN 0.348 nan 8.370 nan 0.000 0.481 422 V N 2.369 122.240 119.914 -0.072 0.000 2.304 422 V HA 0.290 4.397 4.120 -0.020 0.000 0.269 422 V C 0.077 176.147 176.094 -0.039 0.000 1.036 422 V CA -0.345 61.914 62.300 -0.067 0.000 0.840 422 V CB 0.871 32.643 31.823 -0.085 0.000 1.036 422 V HN 0.626 nan 8.190 nan 0.000 0.466 423 T N 6.627 121.162 114.554 -0.031 0.000 2.801 423 T HA 0.360 4.698 4.350 -0.020 0.000 0.306 423 T C 0.148 174.839 174.700 -0.016 0.000 1.020 423 T CA -0.417 61.669 62.100 -0.024 0.000 0.948 423 T CB 0.659 69.518 68.868 -0.014 0.000 0.962 423 T HN 0.221 nan 8.240 nan 0.000 0.465 424 L N 4.485 125.680 121.223 -0.047 0.000 2.382 424 L HA 0.143 4.470 4.340 -0.020 0.000 0.259 424 L C 1.565 178.552 176.870 0.196 0.000 1.291 424 L CA 0.345 55.163 54.840 -0.037 0.000 1.176 424 L CB -0.810 41.030 42.059 -0.364 0.000 1.373 424 L HN 0.778 nan 8.230 nan 0.000 0.426 425 S N -1.092 114.707 115.700 0.164 0.000 2.511 425 S HA 0.081 4.539 4.470 -0.020 0.000 0.214 425 S C 0.850 175.339 174.600 -0.185 0.000 0.997 425 S CA -0.263 58.044 58.200 0.178 0.000 0.908 425 S CB 0.434 63.682 63.200 0.081 0.000 0.803 425 S HN 0.543 nan 8.310 nan 0.000 0.504 426 S N 0.841 116.457 115.700 -0.140 0.000 2.726 426 S HA 0.733 5.190 4.470 -0.020 0.000 0.308 426 S C -3.349 171.262 174.600 0.020 0.000 1.115 426 S CA -1.906 56.106 58.200 -0.314 0.000 0.965 426 S CB 0.620 63.787 63.200 -0.055 0.000 1.145 426 S HN -0.048 nan 8.310 nan 0.000 0.532 427 P HA 0.287 nan 4.420 nan 0.000 0.265 427 P C -0.804 176.704 177.300 0.346 0.000 1.187 427 P CA 0.208 63.491 63.100 0.304 0.000 0.766 427 P CB -0.149 31.635 31.700 0.141 0.000 0.820 428 F N 0.715 120.796 119.950 0.218 0.000 2.685 428 F HA 0.684 5.199 4.527 -0.020 0.000 0.315 428 F C -1.826 174.079 175.800 0.176 0.000 1.126 428 F CA -1.414 56.675 58.000 0.149 0.000 0.950 428 F CB 0.897 39.992 39.000 0.158 0.000 1.360 428 F HN -0.034 nan 8.300 nan 0.000 0.469 429 L N 1.927 123.306 121.223 0.259 0.000 2.330 429 L HA 0.719 5.047 4.340 -0.020 0.000 0.271 429 L C -1.105 176.062 176.870 0.495 0.000 1.013 429 L CA -1.021 53.935 54.840 0.193 0.000 0.816 429 L CB 2.024 43.970 42.059 -0.188 0.000 1.287 429 L HN 0.821 nan 8.230 nan 0.000 0.435 430 F N 0.475 120.679 119.950 0.423 0.000 2.619 430 F HA 0.890 5.404 4.527 -0.021 0.000 0.308 430 F C -1.084 174.927 175.800 0.351 0.000 1.097 430 F CA -0.879 57.346 58.000 0.375 0.000 0.953 430 F CB 1.567 40.762 39.000 0.326 0.000 1.287 430 F HN 0.422 nan 8.300 nan 0.000 0.446 431 A N 3.677 126.733 122.820 0.392 0.000 2.449 431 A HA 0.816 5.124 4.320 -0.020 0.000 0.302 431 A C -1.520 176.265 177.584 0.336 0.000 1.048 431 A CA -0.798 51.383 52.037 0.238 0.000 0.708 431 A CB 1.340 20.549 19.000 0.348 0.000 1.274 431 A HN 0.835 nan 8.150 nan 0.000 0.410 432 I N 2.232 122.971 120.570 0.281 0.000 2.330 432 I HA 0.303 4.461 4.170 -0.020 0.000 0.289 432 I C -1.110 175.184 176.117 0.294 0.000 1.001 432 I CA -0.378 61.073 61.300 0.251 0.000 1.193 432 I CB 1.095 39.162 38.000 0.112 0.000 1.345 432 I HN 0.730 nan 8.210 nan 0.000 0.461 433 Y N 6.236 126.640 120.300 0.172 0.000 2.350 433 Y HA 0.429 4.967 4.550 -0.020 0.000 0.338 433 Y C -0.256 175.750 175.900 0.177 0.000 0.961 433 Y CA -0.900 57.303 58.100 0.171 0.000 1.100 433 Y CB 1.491 40.046 38.460 0.159 0.000 1.179 433 Y HN 0.562 nan 8.280 nan 0.000 0.454 434 E N 4.605 124.639 120.200 -0.277 0.000 2.174 434 E HA 0.442 4.780 4.350 -0.020 0.000 0.282 434 E C 0.583 176.902 176.600 -0.469 0.000 0.992 434 E CA 0.036 56.321 56.400 -0.193 0.000 0.803 434 E CB 1.373 31.102 29.700 0.049 0.000 1.090 434 E HN 0.824 nan 8.360 nan 0.000 0.396 435 R N 3.879 124.308 120.500 -0.119 0.000 2.052 435 R HA -0.056 4.271 4.340 -0.020 0.000 0.226 435 R C 1.498 177.789 176.300 -0.015 0.000 1.145 435 R CA 1.858 57.971 56.100 0.021 0.000 0.952 435 R CB -1.538 28.856 30.300 0.157 0.000 0.847 435 R HN 0.701 nan 8.270 nan 0.000 0.431 436 D N 0.766 121.164 120.400 -0.004 0.000 2.123 436 D HA -0.166 4.462 4.640 -0.020 0.000 0.196 436 D C 2.272 178.557 176.300 -0.026 0.000 0.992 436 D CA 2.452 56.452 54.000 0.001 0.000 0.833 436 D CB -0.159 40.648 40.800 0.010 0.000 0.954 436 D HN 0.573 nan 8.370 nan 0.000 0.455 437 S N -1.318 114.349 115.700 -0.055 0.000 2.446 437 S HA 0.181 4.639 4.470 -0.020 0.000 0.225 437 S C 1.865 176.392 174.600 -0.121 0.000 1.016 437 S CA 1.135 59.287 58.200 -0.080 0.000 0.943 437 S CB 0.431 63.584 63.200 -0.077 0.000 0.786 437 S HN 0.346 nan 8.310 nan 0.000 0.508 438 G N 0.900 109.586 108.800 -0.191 0.000 2.176 438 G HA2 -0.084 3.863 3.960 -0.020 0.000 0.253 438 G HA3 -0.084 3.863 3.960 -0.020 0.000 0.253 438 G C 0.244 174.940 174.900 -0.339 0.000 0.979 438 G CA 0.081 45.048 45.100 -0.222 0.000 0.641 438 G HN 1.276 nan 8.290 nan 0.000 0.530 439 A N -0.274 122.324 122.820 -0.369 0.000 2.322 439 A HA 0.772 5.080 4.320 -0.020 0.000 0.269 439 A C 0.204 177.546 177.584 -0.403 0.000 1.094 439 A CA -0.114 51.700 52.037 -0.371 0.000 0.807 439 A CB 0.939 19.663 19.000 -0.460 0.000 1.047 439 A HN 1.143 nan 8.150 nan 0.000 0.487 440 L N 2.226 123.270 121.223 -0.298 0.000 2.277 440 L HA 0.337 4.665 4.340 -0.020 0.000 0.284 440 L C 0.752 177.432 176.870 -0.317 0.000 1.028 440 L CA -0.541 54.211 54.840 -0.148 0.000 0.835 440 L CB 0.521 42.558 42.059 -0.035 0.000 1.215 440 L HN 0.937 nan 8.230 nan 0.000 0.425 441 H N 4.772 123.720 119.070 -0.204 0.000 2.384 441 H HA 0.139 4.683 4.556 -0.021 0.000 0.300 441 H C -0.517 174.356 175.328 -0.757 0.000 1.057 441 H CA 1.012 56.823 56.048 -0.394 0.000 1.370 441 H CB 0.482 30.123 29.762 -0.201 0.000 1.417 441 H HN 0.343 nan 8.280 nan 0.000 0.527 442 F N 0.455 120.357 119.950 -0.080 0.000 2.591 442 F HA 0.321 4.835 4.527 -0.021 0.000 0.309 442 F C -0.886 174.760 175.800 -0.256 0.000 1.098 442 F CA -1.240 56.668 58.000 -0.154 0.000 0.937 442 F CB 1.800 40.722 39.000 -0.129 0.000 1.250 442 F HN -0.206 nan 8.300 nan 0.000 0.447 443 L N 0.684 121.712 121.223 -0.326 0.000 2.376 443 L HA 1.168 5.496 4.340 -0.020 0.000 0.258 443 L C -0.390 175.843 176.870 -1.062 0.000 1.013 443 L CA -0.799 53.526 54.840 -0.858 0.000 0.822 443 L CB 1.702 43.075 42.059 -1.143 0.000 1.388 443 L HN 0.814 nan 8.230 nan 0.000 0.413 444 G N 0.186 108.117 108.800 -1.449 0.000 2.321 444 G HA2 0.548 4.496 3.960 -0.020 0.000 0.296 444 G HA3 0.548 4.496 3.960 -0.020 0.000 0.296 444 G C -2.182 172.435 174.900 -0.472 0.000 1.287 444 G CA -0.898 43.709 45.100 -0.820 0.000 0.846 444 G HN 0.793 nan 8.290 nan 0.000 0.508 445 R N -0.645 119.830 120.500 -0.041 0.000 2.575 445 R HA 0.643 4.971 4.340 -0.020 0.000 0.293 445 R C -1.430 174.888 176.300 0.029 0.000 0.983 445 R CA -0.544 55.585 56.100 0.049 0.000 0.887 445 R CB 2.177 32.541 30.300 0.108 0.000 1.184 445 R HN 0.433 nan 8.270 nan 0.000 0.445 446 V N 5.352 125.151 119.914 -0.192 0.000 2.259 446 V HA 0.153 4.261 4.120 -0.020 0.000 0.267 446 V C -0.152 175.877 176.094 -0.109 0.000 1.051 446 V CA -0.327 61.807 62.300 -0.275 0.000 0.830 446 V CB 1.022 32.373 31.823 -0.786 0.000 1.080 446 V HN 0.869 nan 8.190 nan 0.000 0.467 447 D N 2.265 122.680 120.400 0.024 0.000 2.213 447 D HA 0.032 4.660 4.640 -0.020 0.000 0.205 447 D C 0.784 177.226 176.300 0.235 0.000 0.961 447 D CA 1.048 55.119 54.000 0.118 0.000 0.853 447 D CB 0.358 41.200 40.800 0.070 0.000 0.967 447 D HN 0.525 nan 8.370 nan 0.000 0.496 448 N N -0.293 118.496 118.700 0.148 0.000 2.600 448 N HA 0.074 4.802 4.740 -0.020 0.000 0.272 448 N C -2.897 172.611 175.510 -0.004 0.000 1.095 448 N CA -0.861 52.273 53.050 0.140 0.000 0.993 448 N CB 2.170 40.731 38.487 0.124 0.000 1.603 448 N HN -0.244 nan 8.380 nan 0.000 0.526 449 P HA 0.216 nan 4.420 nan 0.000 0.221 449 P C -0.410 176.848 177.300 -0.070 0.000 1.854 449 P CA 0.190 63.213 63.100 -0.127 0.000 0.985 449 P CB 0.039 31.594 31.700 -0.242 0.000 1.711 450 Q N 0.000 119.788 119.800 -0.019 0.000 2.315 450 Q HA 0.000 4.328 4.340 -0.020 0.000 0.214 450 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 450 Q CB 0.000 28.738 28.738 0.001 0.000 1.108 450 Q HN 0.000 nan 8.270 nan 0.000 0.481