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 1m3j_1_A DATA FIRST_RESID 30 DATA SEQUENCE DITDKNQSID SGISSLSYNR NEVLASNGDK IESFVPKEGK KAGNKFIVVE DATA SEQUENCE RQKRSLTTSP VDISIIDSVN DRTYPGALQL ADKALVENRP TILMVKRKPI DATA SEQUENCE NINIDLPGLK GENSIKVDDP TYGKVSGAID ELVSKWNEKY SSTHTLPART DATA SEQUENCE QYSESMVYSK SQISSALNVN AKVLENSLGV DFNAVANNEK KVMILAYKQI DATA SEQUENCE FYTVSADLPK NPSDLFDDSV TFNDLKQKGV SNEAPPLMVS NVAYGRTIYV DATA SEQUENCE KLETTSSSKD VQAAFKALIK NTDIKNSQQY KDIYENSSFT AVVLGGDAQE DATA SEQUENCE HNKVVTKDFD EIRKVIKDNA TFSTKNPAYP ISYTSVFLKD NSVAAVHNKT DATA SEQUENCE DYIETTSTEY SKGKINLDHS GAYVAQFEVA WDEVSYDKEG NEVLTHKTWD DATA SEQUENCE GNYQDKTAHY STVIPLEANA RNIRIKAREC TGLAWEWWRD VISEYDVPLT DATA SEQUENCE NNINVSIWGT TLYPGSSITY N 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 30 D HA 0.000 nan 4.640 nan 0.000 0.175 30 D C 0.000 176.316 176.300 0.027 0.000 2.045 30 D CA 0.000 54.021 54.000 0.034 0.000 0.868 30 D CB 0.000 40.815 40.800 0.024 0.000 0.688 31 I N -1.075 119.517 120.570 0.037 0.000 2.938 31 I HA 0.191 4.361 4.170 -0.001 0.000 0.285 31 I C 1.879 178.012 176.117 0.027 0.000 1.182 31 I CA -0.109 61.207 61.300 0.025 0.000 1.388 31 I CB 0.121 38.139 38.000 0.030 0.000 1.390 31 I HN 0.088 nan 8.210 nan 0.000 0.600 32 T N 0.525 115.090 114.554 0.018 0.000 3.051 32 T HA -0.103 4.247 4.350 -0.001 0.000 0.269 32 T C 1.063 175.776 174.700 0.021 0.000 1.127 32 T CA 1.112 63.222 62.100 0.016 0.000 1.107 32 T CB -0.480 68.395 68.868 0.011 0.000 0.898 32 T HN 0.614 nan 8.240 nan 0.000 0.517 33 D N 1.704 122.121 120.400 0.029 0.000 2.392 33 D HA -0.058 4.582 4.640 -0.001 0.000 0.228 33 D C 1.294 177.618 176.300 0.039 0.000 1.003 33 D CA 0.599 54.621 54.000 0.036 0.000 0.917 33 D CB -0.017 40.813 40.800 0.050 0.000 0.890 33 D HN 0.572 nan 8.370 nan 0.000 0.532 34 K N -0.719 119.704 120.400 0.037 0.000 3.193 34 K HA -0.205 4.114 4.320 -0.001 0.000 0.294 34 K C -0.289 176.333 176.600 0.038 0.000 1.185 34 K CA 0.793 57.099 56.287 0.032 0.000 0.866 34 K CB -2.625 29.886 32.500 0.019 0.000 1.227 34 K HN -0.022 nan 8.250 nan 0.000 0.467 35 N N 1.470 120.212 118.700 0.069 0.000 3.271 35 N HA 0.133 4.872 4.740 -0.001 0.000 0.303 35 N C 0.169 175.764 175.510 0.142 0.000 1.415 35 N CA 0.050 53.145 53.050 0.076 0.000 1.159 35 N CB 0.701 39.264 38.487 0.127 0.000 1.432 35 N HN 0.505 nan 8.380 nan 0.000 0.521 36 Q N -0.409 119.440 119.800 0.082 0.000 2.049 36 Q HA 0.002 4.342 4.340 -0.001 0.000 0.198 36 Q C 0.840 176.887 176.000 0.079 0.000 0.971 36 Q CA 0.671 56.527 55.803 0.088 0.000 0.833 36 Q CB -0.002 28.764 28.738 0.046 0.000 0.896 36 Q HN 0.225 nan 8.270 nan 0.000 0.434 37 S N -0.067 115.643 115.700 0.016 0.000 2.560 37 S HA -0.022 4.448 4.470 -0.001 0.000 0.284 37 S C 1.096 175.671 174.600 -0.041 0.000 1.327 37 S CA -0.518 57.675 58.200 -0.012 0.000 1.055 37 S CB 0.495 63.670 63.200 -0.042 0.000 0.868 37 S HN 0.289 nan 8.310 nan 0.000 0.506 38 I N 3.470 124.033 120.570 -0.012 0.000 2.113 38 I HA -0.098 4.072 4.170 -0.001 0.000 0.238 38 I C 1.668 177.689 176.117 -0.159 0.000 1.070 38 I CA 1.884 63.172 61.300 -0.019 0.000 1.332 38 I CB -0.630 37.350 38.000 -0.034 0.000 1.044 38 I HN 0.758 nan 8.210 nan 0.000 0.402 39 D N -0.151 120.192 120.400 -0.095 0.000 2.351 39 D HA -0.149 4.491 4.640 -0.001 0.000 0.216 39 D C 2.165 178.363 176.300 -0.170 0.000 0.968 39 D CA 1.212 55.157 54.000 -0.091 0.000 0.899 39 D CB -0.008 40.776 40.800 -0.027 0.000 0.907 39 D HN 0.457 nan 8.370 nan 0.000 0.514 40 S N -0.066 115.488 115.700 -0.242 0.000 2.371 40 S HA 0.011 4.480 4.470 -0.001 0.000 0.219 40 S C 2.113 176.427 174.600 -0.478 0.000 1.040 40 S CA 1.206 59.248 58.200 -0.262 0.000 0.958 40 S CB -0.199 62.892 63.200 -0.182 0.000 0.860 40 S HN 0.248 nan 8.310 nan 0.000 0.487 41 G N 2.314 110.509 108.800 -1.009 0.000 2.514 41 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.217 41 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.217 41 G C 1.363 175.640 174.900 -1.039 0.000 1.198 41 G CA 1.287 45.227 45.100 -1.933 0.000 0.780 41 G HN 0.564 nan 8.290 nan 0.000 0.565 42 I N 1.322 121.423 120.570 -0.782 0.000 2.058 42 I HA -0.225 3.945 4.170 -0.001 0.000 0.235 42 I C 3.190 179.269 176.117 -0.063 0.000 1.053 42 I CA 1.820 63.033 61.300 -0.144 0.000 1.313 42 I CB -0.707 37.297 38.000 0.005 0.000 1.039 42 I HN 0.370 nan 8.210 nan 0.000 0.396 43 S N -0.718 114.929 115.700 -0.090 0.000 2.441 43 S HA -0.196 4.274 4.470 -0.001 0.000 0.242 43 S C 1.725 176.284 174.600 -0.067 0.000 1.018 43 S CA 1.733 59.902 58.200 -0.051 0.000 0.988 43 S CB -0.449 62.718 63.200 -0.056 0.000 0.778 43 S HN 0.344 nan 8.310 nan 0.000 0.498 44 S N 0.239 115.875 115.700 -0.108 0.000 2.526 44 S HA 0.492 4.962 4.470 -0.001 0.000 0.245 44 S C -0.377 174.203 174.600 -0.034 0.000 1.103 44 S CA -0.666 57.487 58.200 -0.080 0.000 1.095 44 S CB -0.442 62.699 63.200 -0.098 0.000 0.826 44 S HN 0.520 nan 8.310 nan 0.000 0.468 45 L N 2.960 124.196 121.223 0.021 0.000 2.265 45 L HA 0.448 4.788 4.340 -0.001 0.000 0.289 45 L C 0.412 177.372 176.870 0.151 0.000 1.033 45 L CA -0.456 54.465 54.840 0.135 0.000 0.814 45 L CB 1.453 43.661 42.059 0.247 0.000 1.203 45 L HN 0.338 nan 8.230 nan 0.000 0.423 46 S N 4.768 120.541 115.700 0.121 0.000 2.564 46 S HA 0.537 5.007 4.470 -0.001 0.000 0.278 46 S C -0.700 174.031 174.600 0.219 0.000 1.333 46 S CA -0.060 58.180 58.200 0.067 0.000 1.048 46 S CB 0.829 64.055 63.200 0.043 0.000 0.900 46 S HN 0.597 nan 8.310 nan 0.000 0.505 47 Y N -0.520 119.769 120.300 -0.019 0.000 2.993 47 Y HA 0.447 4.996 4.550 -0.001 0.000 0.413 47 Y C -1.857 174.006 175.900 -0.061 0.000 1.115 47 Y CA -1.184 56.904 58.100 -0.021 0.000 1.316 47 Y CB -0.001 38.465 38.460 0.009 0.000 1.601 47 Y HN 0.708 nan 8.280 nan 0.000 0.503 48 N N 1.479 120.278 118.700 0.165 0.000 2.479 48 N HA 0.329 5.069 4.740 -0.001 0.000 0.261 48 N C 0.690 176.278 175.510 0.130 0.000 0.979 48 N CA -0.480 52.575 53.050 0.008 0.000 0.930 48 N CB 1.408 39.892 38.487 -0.005 0.000 1.172 48 N HN 0.850 nan 8.380 nan 0.000 0.499 49 R N 3.201 123.677 120.500 -0.040 0.000 2.117 49 R HA -0.140 4.199 4.340 -0.001 0.000 0.243 49 R C -0.156 176.264 176.300 0.200 0.000 1.143 49 R CA 1.606 57.670 56.100 -0.060 0.000 0.968 49 R CB -0.625 29.327 30.300 -0.581 0.000 0.863 49 R HN 0.557 nan 8.270 nan 0.000 0.444 50 N N 0.496 119.268 118.700 0.120 0.000 2.542 50 N HA 0.000 4.740 4.740 -0.001 0.000 0.234 50 N C 0.010 175.448 175.510 -0.121 0.000 1.257 50 N CA 0.073 53.203 53.050 0.133 0.000 0.883 50 N CB 0.365 38.831 38.487 -0.034 0.000 1.197 50 N HN 0.498 nan 8.380 nan 0.000 0.488 51 E N -1.056 119.203 120.200 0.099 0.000 2.895 51 E HA -0.094 4.256 4.350 -0.001 0.000 0.254 51 E C 1.660 178.339 176.600 0.132 0.000 1.139 51 E CA 0.115 56.546 56.400 0.052 0.000 1.832 51 E CB -0.074 29.635 29.700 0.015 0.000 2.683 51 E HN 0.142 nan 8.360 nan 0.000 1.040 52 V N 0.642 120.655 119.914 0.165 0.000 2.511 52 V HA -0.151 3.969 4.120 -0.001 0.000 0.257 52 V C 1.164 177.342 176.094 0.141 0.000 1.088 52 V CA 1.510 63.897 62.300 0.145 0.000 1.098 52 V CB -0.564 31.353 31.823 0.158 0.000 0.674 52 V HN 0.149 nan 8.190 nan 0.000 0.470 53 L N 1.057 122.401 121.223 0.202 0.000 2.732 53 L HA 0.763 5.103 4.340 -0.001 0.000 0.246 53 L C 0.144 177.124 176.870 0.185 0.000 1.407 53 L CA 0.201 55.135 54.840 0.155 0.000 0.861 53 L CB 0.508 42.650 42.059 0.137 0.000 1.161 53 L HN 0.380 nan 8.230 nan 0.000 0.510 54 A N 0.220 123.135 122.820 0.158 0.000 2.355 54 A HA 0.751 5.071 4.320 -0.001 0.000 0.324 54 A C 0.214 177.852 177.584 0.090 0.000 1.117 54 A CA -0.418 51.721 52.037 0.169 0.000 0.785 54 A CB 1.388 20.463 19.000 0.126 0.000 1.254 54 A HN 0.341 nan 8.150 nan 0.000 0.453 55 S N 1.483 117.231 115.700 0.082 0.000 2.204 55 S HA 0.193 4.663 4.470 -0.001 0.000 0.178 55 S C -0.316 174.307 174.600 0.038 0.000 1.493 55 S CA -0.696 57.529 58.200 0.042 0.000 1.266 55 S CB -0.452 62.760 63.200 0.021 0.000 1.232 55 S HN 0.736 nan 8.310 nan 0.000 0.406 56 N N 2.479 121.202 118.700 0.039 0.000 2.394 56 N HA 0.198 4.938 4.740 -0.001 0.000 0.277 56 N C 0.915 176.438 175.510 0.021 0.000 1.346 56 N CA 0.876 53.945 53.050 0.031 0.000 0.910 56 N CB 0.135 38.635 38.487 0.021 0.000 1.201 56 N HN 0.673 nan 8.380 nan 0.000 0.488 57 G N 3.019 111.834 108.800 0.026 0.000 2.479 57 G HA2 0.045 4.005 3.960 -0.001 0.000 0.275 57 G HA3 0.045 4.005 3.960 -0.001 0.000 0.275 57 G C -0.550 174.360 174.900 0.016 0.000 1.421 57 G CA -0.355 44.755 45.100 0.017 0.000 1.059 57 G HN 0.826 nan 8.290 nan 0.000 0.535 58 D N -1.515 118.894 120.400 0.015 0.000 2.400 58 D HA 0.225 4.865 4.640 -0.001 0.000 0.238 58 D C -0.056 176.259 176.300 0.024 0.000 1.157 58 D CA -0.020 53.989 54.000 0.014 0.000 0.889 58 D CB 0.994 41.802 40.800 0.013 0.000 1.199 58 D HN 0.324 nan 8.370 nan 0.000 0.436 59 K N 1.544 121.952 120.400 0.013 0.000 2.533 59 K HA 0.288 4.608 4.320 -0.001 0.000 0.207 59 K C -0.589 176.011 176.600 -0.000 0.000 1.052 59 K CA -0.579 55.712 56.287 0.007 0.000 1.030 59 K CB 0.122 32.621 32.500 -0.002 0.000 1.522 59 K HN 0.568 nan 8.250 nan 0.000 0.543 60 I N 1.168 121.744 120.570 0.010 0.000 2.720 60 I HA 0.088 4.258 4.170 -0.001 0.000 0.287 60 I C 0.030 176.119 176.117 -0.047 0.000 1.090 60 I CA 0.344 61.643 61.300 -0.002 0.000 1.384 60 I CB 0.945 38.967 38.000 0.036 0.000 1.420 60 I HN 0.576 nan 8.210 nan 0.000 0.575 61 E N 3.993 124.141 120.200 -0.086 0.000 3.625 61 E HA 0.234 4.584 4.350 -0.001 0.000 0.166 61 E C -1.630 174.833 176.600 -0.228 0.000 0.978 61 E CA -0.172 56.141 56.400 -0.146 0.000 1.429 61 E CB 0.281 29.922 29.700 -0.098 0.000 1.100 61 E HN 0.684 nan 8.360 nan 0.000 0.428 62 S N -1.023 114.488 115.700 -0.315 0.000 2.714 62 S HA 0.681 5.150 4.470 -0.001 0.000 0.284 62 S C -0.749 173.686 174.600 -0.275 0.000 1.019 62 S CA -0.766 57.202 58.200 -0.386 0.000 0.856 62 S CB 0.780 63.874 63.200 -0.177 0.000 1.075 62 S HN 0.443 nan 8.310 nan 0.000 0.455 63 F N -1.772 118.166 119.950 -0.020 0.000 4.027 63 F HA 0.814 5.340 4.527 -0.001 0.000 0.316 63 F C -2.314 173.473 175.800 -0.023 0.000 0.943 63 F CA -1.228 56.758 58.000 -0.024 0.000 0.790 63 F CB -0.045 38.934 39.000 -0.036 0.000 1.770 63 F HN 0.674 nan 8.300 nan 0.000 0.458 64 V N 1.900 122.122 119.914 0.512 0.000 2.532 64 V HA 0.348 4.467 4.120 -0.001 0.000 0.294 64 V C -1.740 174.371 176.094 0.029 0.000 1.036 64 V CA -1.188 61.270 62.300 0.262 0.000 0.876 64 V CB 1.925 33.819 31.823 0.118 0.000 1.012 64 V HN 0.723 nan 8.190 nan 0.000 0.432 65 P HA -0.196 nan 4.420 nan 0.000 0.220 65 P C 0.209 177.418 177.300 -0.153 0.000 1.144 65 P CA 1.404 64.442 63.100 -0.103 0.000 0.808 65 P CB 0.653 32.375 31.700 0.038 0.000 0.763 66 K N -1.733 118.594 120.400 -0.121 0.000 2.660 66 K HA 0.353 4.672 4.320 -0.001 0.000 0.285 66 K C -1.811 174.678 176.600 -0.186 0.000 0.997 66 K CA -0.690 55.474 56.287 -0.205 0.000 0.861 66 K CB 1.814 34.183 32.500 -0.217 0.000 1.469 66 K HN -0.168 nan 8.250 nan 0.000 0.395 67 E N 1.247 121.253 120.200 -0.323 0.000 2.422 67 E HA 0.373 4.722 4.350 -0.001 0.000 0.289 67 E C -1.526 174.891 176.600 -0.305 0.000 0.985 67 E CA -0.756 55.525 56.400 -0.199 0.000 0.812 67 E CB 1.523 31.168 29.700 -0.092 0.000 1.226 67 E HN 0.716 nan 8.360 nan 0.000 0.419 68 G N 2.444 111.187 108.800 -0.096 0.000 2.471 68 G HA2 0.665 4.625 3.960 -0.001 0.000 0.332 68 G HA3 0.665 4.625 3.960 -0.001 0.000 0.332 68 G C -1.175 173.744 174.900 0.033 0.000 1.176 68 G CA -0.432 44.558 45.100 -0.184 0.000 0.949 68 G HN 0.386 nan 8.290 nan 0.000 0.488 69 K N -0.093 120.295 120.400 -0.020 0.000 2.569 69 K HA 0.270 4.590 4.320 -0.001 0.000 0.259 69 K C -0.914 175.839 176.600 0.255 0.000 0.932 69 K CA -0.870 55.508 56.287 0.151 0.000 0.833 69 K CB 1.554 34.074 32.500 0.034 0.000 1.340 69 K HN 0.518 nan 8.250 nan 0.000 0.429 70 K N 1.956 122.509 120.400 0.254 0.000 2.248 70 K HA 0.625 4.945 4.320 -0.001 0.000 0.281 70 K C -1.111 175.563 176.600 0.123 0.000 1.054 70 K CA -0.574 55.841 56.287 0.214 0.000 0.903 70 K CB 1.592 34.185 32.500 0.154 0.000 1.077 70 K HN 0.522 nan 8.250 nan 0.000 0.474 71 A N 2.311 125.196 122.820 0.109 0.000 2.872 71 A HA 0.580 4.899 4.320 -0.001 0.000 0.305 71 A C 0.308 177.928 177.584 0.059 0.000 1.171 71 A CA -0.036 52.041 52.037 0.066 0.000 0.782 71 A CB 0.041 19.069 19.000 0.046 0.000 1.329 71 A HN 1.310 nan 8.150 nan 0.000 0.432 72 G N 1.628 110.459 108.800 0.052 0.000 2.681 72 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.220 72 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.220 72 G C 0.085 175.017 174.900 0.053 0.000 1.353 72 G CA -0.214 44.912 45.100 0.043 0.000 0.872 72 G HN 0.829 nan 8.290 nan 0.000 0.557 73 N N 1.783 120.509 118.700 0.043 0.000 2.747 73 N HA 0.071 4.811 4.740 -0.001 0.000 0.252 73 N C 0.304 175.857 175.510 0.071 0.000 1.352 73 N CA 1.172 54.250 53.050 0.046 0.000 0.960 73 N CB -0.346 38.159 38.487 0.029 0.000 1.303 73 N HN 0.495 nan 8.380 nan 0.000 0.518 74 K N -0.277 120.186 120.400 0.104 0.000 2.533 74 K HA 0.376 4.695 4.320 -0.001 0.000 0.272 74 K C -1.464 175.300 176.600 0.274 0.000 0.985 74 K CA -0.746 55.636 56.287 0.158 0.000 0.876 74 K CB 1.757 34.314 32.500 0.096 0.000 1.452 74 K HN -0.149 nan 8.250 nan 0.000 0.439 75 F N 2.678 122.719 119.950 0.151 0.000 2.496 75 F HA 0.431 4.957 4.527 -0.001 0.000 0.341 75 F C -1.114 174.838 175.800 0.253 0.000 1.134 75 F CA -1.433 56.678 58.000 0.185 0.000 0.968 75 F CB 0.667 39.777 39.000 0.183 0.000 1.205 75 F HN 0.269 nan 8.300 nan 0.000 0.436 76 I N 6.850 127.312 120.570 -0.179 0.000 2.395 76 I HA 0.303 4.473 4.170 -0.001 0.000 0.289 76 I C -0.400 175.417 176.117 -0.500 0.000 1.023 76 I CA -0.685 60.461 61.300 -0.256 0.000 1.350 76 I CB 1.259 39.177 38.000 -0.137 0.000 1.409 76 I HN 0.241 nan 8.210 nan 0.000 0.507 77 V N 7.562 127.271 119.914 -0.341 0.000 2.376 77 V HA 0.370 4.490 4.120 -0.001 0.000 0.287 77 V C 0.162 176.087 176.094 -0.281 0.000 1.015 77 V CA -0.622 61.451 62.300 -0.378 0.000 0.834 77 V CB 1.893 33.578 31.823 -0.230 0.000 1.001 77 V HN 0.452 nan 8.190 nan 0.000 0.428 78 V N 4.175 123.908 119.914 -0.301 0.000 2.973 78 V HA 0.641 4.760 4.120 -0.001 0.000 0.314 78 V C -0.149 175.781 176.094 -0.274 0.000 1.066 78 V CA -0.704 61.449 62.300 -0.245 0.000 1.021 78 V CB 1.950 33.650 31.823 -0.204 0.000 1.076 78 V HN 0.931 nan 8.190 nan 0.000 0.462 79 E N 1.758 121.807 120.200 -0.252 0.000 2.321 79 E HA 0.497 4.847 4.350 -0.001 0.000 0.278 79 E C -1.499 174.911 176.600 -0.317 0.000 0.902 79 E CA -1.003 55.240 56.400 -0.261 0.000 0.758 79 E CB 2.387 31.960 29.700 -0.211 0.000 1.213 79 E HN 0.385 nan 8.360 nan 0.000 0.426 80 R N 2.573 122.824 120.500 -0.414 0.000 2.272 80 R HA 0.307 4.646 4.340 -0.001 0.000 0.323 80 R C -0.498 175.306 176.300 -0.826 0.000 1.002 80 R CA -0.542 55.153 56.100 -0.674 0.000 0.900 80 R CB 1.074 30.833 30.300 -0.901 0.000 1.151 80 R HN 0.501 nan 8.270 nan 0.000 0.507 81 Q N 1.524 121.002 119.800 -0.538 0.000 2.266 81 Q HA 0.302 4.641 4.340 -0.001 0.000 0.261 81 Q C -0.347 175.499 176.000 -0.256 0.000 0.985 81 Q CA -0.534 55.067 55.803 -0.337 0.000 0.873 81 Q CB 3.147 31.763 28.738 -0.203 0.000 1.306 81 Q HN 0.277 nan 8.270 nan 0.000 0.447 82 K N 2.430 122.804 120.400 -0.043 0.000 2.205 82 K HA 0.290 4.610 4.320 -0.001 0.000 0.279 82 K C -0.682 175.829 176.600 -0.148 0.000 1.027 82 K CA -0.395 55.907 56.287 0.025 0.000 0.932 82 K CB 0.662 33.266 32.500 0.175 0.000 1.032 82 K HN 0.367 nan 8.250 nan 0.000 0.466 83 R N 1.781 122.077 120.500 -0.340 0.000 2.686 83 R HA 0.322 4.662 4.340 -0.001 0.000 0.283 83 R C -1.190 174.895 176.300 -0.358 0.000 0.978 83 R CA -0.887 54.931 56.100 -0.471 0.000 0.897 83 R CB 2.030 31.755 30.300 -0.958 0.000 1.192 83 R HN 0.544 nan 8.270 nan 0.000 0.457 84 S N 2.301 117.928 115.700 -0.122 0.000 2.539 84 S HA 0.224 4.694 4.470 -0.001 0.000 0.235 84 S C -0.593 174.068 174.600 0.103 0.000 1.326 84 S CA -0.636 57.574 58.200 0.017 0.000 1.183 84 S CB 0.580 63.786 63.200 0.011 0.000 1.073 84 S HN 0.408 nan 8.310 nan 0.000 0.480 85 L N 3.975 125.332 121.223 0.224 0.000 2.283 85 L HA 0.537 4.876 4.340 -0.001 0.000 0.287 85 L C 0.169 177.112 176.870 0.121 0.000 1.073 85 L CA 0.501 55.457 54.840 0.193 0.000 0.822 85 L CB 0.801 43.009 42.059 0.248 0.000 1.186 85 L HN 0.481 nan 8.230 nan 0.000 0.436 86 T N 3.570 118.175 114.554 0.086 0.000 2.794 86 T HA 0.760 5.110 4.350 -0.001 0.000 0.280 86 T C -0.302 174.430 174.700 0.053 0.000 0.987 86 T CA 0.153 62.295 62.100 0.071 0.000 0.993 86 T CB 0.563 69.473 68.868 0.070 0.000 0.939 86 T HN 0.860 nan 8.240 nan 0.000 0.449 87 T N 1.101 115.679 114.554 0.041 0.000 2.916 87 T HA 0.634 4.984 4.350 -0.001 0.000 0.305 87 T C -0.718 173.966 174.700 -0.026 0.000 1.119 87 T CA -0.836 61.268 62.100 0.007 0.000 1.008 87 T CB 1.782 70.643 68.868 -0.011 0.000 1.129 87 T HN 0.369 nan 8.240 nan 0.000 0.480 88 S N 3.585 119.245 115.700 -0.067 0.000 2.399 88 S HA 0.504 4.973 4.470 -0.001 0.000 0.215 88 S C -2.442 172.070 174.600 -0.145 0.000 1.456 88 S CA -0.935 57.160 58.200 -0.175 0.000 1.199 88 S CB 0.529 63.616 63.200 -0.189 0.000 1.063 88 S HN 0.747 nan 8.310 nan 0.000 0.476 89 P HA 0.257 nan 4.420 nan 0.000 0.277 89 P C 0.622 177.835 177.300 -0.145 0.000 1.240 89 P CA -0.454 62.571 63.100 -0.126 0.000 0.798 89 P CB 1.343 32.971 31.700 -0.119 0.000 0.979 90 V N -1.749 118.083 119.914 -0.137 0.000 3.090 90 V HA 0.156 4.275 4.120 -0.001 0.000 0.237 90 V C 0.843 176.812 176.094 -0.208 0.000 1.209 90 V CA 0.608 62.818 62.300 -0.151 0.000 1.209 90 V CB -1.196 30.565 31.823 -0.102 0.000 0.971 90 V HN 0.395 nan 8.190 nan 0.000 0.477 91 D N 1.448 121.742 120.400 -0.176 0.000 2.455 91 D HA 0.296 4.935 4.640 -0.001 0.000 0.234 91 D C -0.081 176.081 176.300 -0.230 0.000 1.224 91 D CA 0.045 53.929 54.000 -0.195 0.000 0.999 91 D CB -0.443 40.278 40.800 -0.132 0.000 1.072 91 D HN 0.449 nan 8.370 nan 0.000 0.514 92 I N 2.128 122.473 120.570 -0.374 0.000 2.395 92 I HA 0.082 4.252 4.170 -0.001 0.000 0.289 92 I C 0.677 176.667 176.117 -0.212 0.000 1.023 92 I CA -0.507 60.575 61.300 -0.365 0.000 1.350 92 I CB 1.491 39.120 38.000 -0.618 0.000 1.409 92 I HN 0.230 nan 8.210 nan 0.000 0.507 93 S N 6.713 122.362 115.700 -0.085 0.000 2.513 93 S HA 0.506 4.976 4.470 -0.001 0.000 0.276 93 S C -0.142 174.489 174.600 0.053 0.000 1.254 93 S CA -0.648 57.543 58.200 -0.014 0.000 1.053 93 S CB 0.280 63.471 63.200 -0.015 0.000 0.958 93 S HN 0.333 nan 8.310 nan 0.000 0.491 94 I N 6.007 126.617 120.570 0.066 0.000 2.519 94 I HA 0.123 4.293 4.170 -0.001 0.000 0.287 94 I C 1.198 177.317 176.117 0.004 0.000 1.047 94 I CA -0.734 60.590 61.300 0.040 0.000 1.381 94 I CB 0.516 38.506 38.000 -0.017 0.000 1.417 94 I HN 0.593 nan 8.210 nan 0.000 0.540 95 I N 2.874 123.439 120.570 -0.010 0.000 2.146 95 I HA -0.130 4.039 4.170 -0.001 0.000 0.231 95 I C 0.857 176.965 176.117 -0.014 0.000 1.063 95 I CA 1.353 62.645 61.300 -0.014 0.000 1.340 95 I CB -0.648 37.339 38.000 -0.021 0.000 1.100 95 I HN 0.569 nan 8.210 nan 0.000 0.403 96 D N 1.416 121.798 120.400 -0.029 0.000 2.422 96 D HA 0.039 4.679 4.640 -0.001 0.000 0.263 96 D C 1.426 177.712 176.300 -0.024 0.000 1.334 96 D CA 0.192 54.175 54.000 -0.028 0.000 1.105 96 D CB 0.542 41.311 40.800 -0.051 0.000 1.107 96 D HN 0.084 nan 8.370 nan 0.000 0.522 97 S N 0.926 116.632 115.700 0.011 0.000 2.426 97 S HA -0.160 4.310 4.470 -0.001 0.000 0.220 97 S C 1.988 176.623 174.600 0.059 0.000 1.040 97 S CA 1.301 59.528 58.200 0.045 0.000 1.094 97 S CB -0.245 63.002 63.200 0.077 0.000 1.072 97 S HN 0.549 nan 8.310 nan 0.000 0.415 98 V N 1.128 121.098 119.914 0.093 0.000 3.590 98 V HA 0.093 4.212 4.120 -0.001 0.000 0.272 98 V C 0.321 176.273 176.094 -0.236 0.000 1.233 98 V CA 0.910 63.189 62.300 -0.034 0.000 1.182 98 V CB -1.748 30.169 31.823 0.158 0.000 0.901 98 V HN 0.373 nan 8.190 nan 0.000 0.485 99 N N -0.656 117.961 118.700 -0.138 0.000 2.961 99 N HA 0.155 4.894 4.740 -0.001 0.000 0.155 99 N C 0.025 175.449 175.510 -0.144 0.000 1.557 99 N CA -0.344 52.625 53.050 -0.135 0.000 1.162 99 N CB -0.525 37.916 38.487 -0.077 0.000 1.038 99 N HN 0.185 nan 8.380 nan 0.000 0.489 100 D N 1.675 122.004 120.400 -0.118 0.000 2.749 100 D HA -0.083 4.557 4.640 -0.001 0.000 0.222 100 D C -0.207 175.993 176.300 -0.167 0.000 1.131 100 D CA 0.875 54.791 54.000 -0.141 0.000 0.845 100 D CB 0.461 41.196 40.800 -0.110 0.000 1.196 100 D HN 0.298 nan 8.370 nan 0.000 0.503 101 R N 1.528 121.888 120.500 -0.232 0.000 2.371 101 R HA 0.419 4.758 4.340 -0.001 0.000 0.312 101 R C -0.891 175.321 176.300 -0.147 0.000 0.980 101 R CA -0.730 55.234 56.100 -0.227 0.000 0.867 101 R CB 0.699 30.578 30.300 -0.702 0.000 1.163 101 R HN 0.118 nan 8.270 nan 0.000 0.492 102 T N 3.734 118.219 114.554 -0.116 0.000 2.887 102 T HA 0.743 5.093 4.350 -0.001 0.000 0.288 102 T C -1.431 173.233 174.700 -0.060 0.000 1.021 102 T CA -0.355 61.575 62.100 -0.283 0.000 1.000 102 T CB 0.836 69.382 68.868 -0.537 0.000 1.034 102 T HN 0.545 nan 8.240 nan 0.000 0.467 103 Y N 0.618 120.884 120.300 -0.056 0.000 2.689 103 Y HA 0.623 5.173 4.550 -0.001 0.000 0.333 103 Y C -3.061 172.857 175.900 0.029 0.000 1.208 103 Y CA -3.026 55.108 58.100 0.056 0.000 1.055 103 Y CB 0.050 38.604 38.460 0.156 0.000 1.304 103 Y HN 0.293 nan 8.280 nan 0.000 0.455 104 P HA 0.201 nan 4.420 nan 0.000 0.257 104 P C 0.652 178.096 177.300 0.241 0.000 1.227 104 P CA 2.059 65.285 63.100 0.211 0.000 0.981 104 P CB 0.182 32.006 31.700 0.207 0.000 1.044 105 G N 2.794 111.640 108.800 0.076 0.000 3.134 105 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.195 105 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.195 105 G C 0.314 175.146 174.900 -0.113 0.000 1.054 105 G CA -0.015 45.119 45.100 0.056 0.000 0.828 105 G HN 0.731 nan 8.290 nan 0.000 0.462 106 A N 0.588 123.150 122.820 -0.430 0.000 2.587 106 A HA 0.470 4.790 4.320 -0.001 0.000 0.233 106 A C -0.044 177.378 177.584 -0.270 0.000 1.049 106 A CA 0.811 52.530 52.037 -0.529 0.000 0.754 106 A CB 0.016 18.512 19.000 -0.841 0.000 0.977 106 A HN 1.040 nan 8.150 nan 0.000 0.509 107 L N 2.874 123.984 121.223 -0.188 0.000 2.295 107 L HA 0.361 4.701 4.340 -0.001 0.000 0.281 107 L C 0.174 176.990 176.870 -0.091 0.000 1.018 107 L CA 0.202 54.975 54.840 -0.113 0.000 0.841 107 L CB 1.378 43.396 42.059 -0.069 0.000 1.218 107 L HN 0.795 nan 8.230 nan 0.000 0.424 108 Q N 3.557 123.302 119.800 -0.092 0.000 2.333 108 Q HA 0.691 5.030 4.340 -0.001 0.000 0.267 108 Q C -0.780 175.189 176.000 -0.051 0.000 1.012 108 Q CA -0.918 54.837 55.803 -0.079 0.000 0.824 108 Q CB 2.203 30.877 28.738 -0.107 0.000 1.290 108 Q HN 0.409 nan 8.270 nan 0.000 0.449 109 L N 1.440 122.640 121.223 -0.038 0.000 2.483 109 L HA 0.236 4.575 4.340 -0.001 0.000 0.275 109 L C 0.338 177.181 176.870 -0.045 0.000 1.220 109 L CA -0.327 54.494 54.840 -0.032 0.000 0.833 109 L CB 0.330 42.374 42.059 -0.025 0.000 1.102 109 L HN 0.804 nan 8.230 nan 0.000 0.490 110 A N 2.209 124.996 122.820 -0.055 0.000 2.798 110 A HA 0.462 4.781 4.320 -0.001 0.000 0.316 110 A C -0.713 176.855 177.584 -0.027 0.000 1.506 110 A CA -0.569 51.439 52.037 -0.048 0.000 1.162 110 A CB -0.695 18.277 19.000 -0.046 0.000 1.138 110 A HN 0.776 nan 8.150 nan 0.000 0.532 111 D N -0.066 120.323 120.400 -0.017 0.000 2.714 111 D HA 0.333 4.973 4.640 -0.001 0.000 0.278 111 D C 0.986 177.286 176.300 -0.002 0.000 1.102 111 D CA -0.549 53.446 54.000 -0.008 0.000 1.108 111 D CB 0.562 41.353 40.800 -0.014 0.000 1.444 111 D HN 0.195 nan 8.370 nan 0.000 0.568 112 K N -0.414 119.986 120.400 0.000 0.000 2.097 112 K HA -0.061 4.258 4.320 -0.001 0.000 0.205 112 K C 1.828 178.424 176.600 -0.006 0.000 1.050 112 K CA 1.161 57.448 56.287 0.000 0.000 0.938 112 K CB -0.508 31.992 32.500 0.000 0.000 0.718 112 K HN 0.320 nan 8.250 nan 0.000 0.442 113 A N 2.536 125.349 122.820 -0.011 0.000 1.892 113 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 113 A C 2.260 179.835 177.584 -0.015 0.000 1.188 113 A CA 1.827 53.854 52.037 -0.016 0.000 0.631 113 A CB -0.786 18.201 19.000 -0.022 0.000 0.822 113 A HN 0.429 nan 8.150 nan 0.000 0.447 114 L N 0.573 121.789 121.223 -0.012 0.000 2.013 114 L HA -0.170 4.169 4.340 -0.001 0.000 0.212 114 L C 2.275 179.150 176.870 0.010 0.000 1.073 114 L CA 2.604 57.443 54.840 -0.001 0.000 0.753 114 L CB -1.137 40.922 42.059 -0.001 0.000 0.890 114 L HN 0.194 nan 8.230 nan 0.000 0.432 115 V N -0.177 119.737 119.914 0.000 0.000 2.392 115 V HA -0.250 3.869 4.120 -0.001 0.000 0.249 115 V C 2.125 178.213 176.094 -0.010 0.000 1.059 115 V CA 1.958 64.255 62.300 -0.005 0.000 1.051 115 V CB -1.129 30.692 31.823 -0.004 0.000 0.658 115 V HN 0.538 nan 8.190 nan 0.000 0.455 116 E N 0.346 120.540 120.200 -0.011 0.000 2.416 116 E HA 0.051 4.401 4.350 -0.001 0.000 0.189 116 E C 0.348 176.939 176.600 -0.015 0.000 1.091 116 E CA 0.220 56.610 56.400 -0.017 0.000 0.889 116 E CB -0.372 29.317 29.700 -0.019 0.000 1.015 116 E HN 0.740 nan 8.360 nan 0.000 0.479 117 N N 0.625 119.323 118.700 -0.003 0.000 2.753 117 N HA -0.258 4.482 4.740 -0.001 0.000 0.251 117 N C -0.305 175.193 175.510 -0.021 0.000 1.097 117 N CA 1.382 54.433 53.050 0.002 0.000 0.786 117 N CB -1.295 37.191 38.487 -0.002 0.000 1.137 117 N HN 0.370 nan 8.380 nan 0.000 0.566 118 R N -1.370 119.114 120.500 -0.026 0.000 2.886 118 R HA 0.344 4.684 4.340 -0.001 0.000 0.306 118 R C -2.941 173.333 176.300 -0.042 0.000 1.300 118 R CA -1.381 54.695 56.100 -0.040 0.000 1.441 118 R CB 0.669 30.948 30.300 -0.035 0.000 1.328 118 R HN 0.036 nan 8.270 nan 0.000 0.629 119 P HA 0.036 nan 4.420 nan 0.000 0.271 119 P C -0.397 176.865 177.300 -0.064 0.000 1.216 119 P CA 0.212 63.281 63.100 -0.051 0.000 0.771 119 P CB 1.249 32.914 31.700 -0.058 0.000 0.864 120 T N 3.564 118.087 114.554 -0.051 0.000 2.856 120 T HA 0.229 4.579 4.350 -0.001 0.000 0.306 120 T C 0.536 175.199 174.700 -0.062 0.000 1.062 120 T CA 0.141 62.212 62.100 -0.049 0.000 1.083 120 T CB 0.244 69.090 68.868 -0.036 0.000 0.984 120 T HN 0.325 nan 8.240 nan 0.000 0.542 121 I N 1.183 121.718 120.570 -0.059 0.000 2.785 121 I HA 0.464 4.634 4.170 -0.001 0.000 0.302 121 I C -0.841 175.253 176.117 -0.038 0.000 1.069 121 I CA -1.278 59.981 61.300 -0.069 0.000 1.045 121 I CB 2.040 39.986 38.000 -0.091 0.000 1.236 121 I HN 0.519 nan 8.210 nan 0.000 0.429 122 L N 6.023 127.227 121.223 -0.032 0.000 2.296 122 L HA 0.477 4.816 4.340 -0.001 0.000 0.286 122 L C -0.693 176.187 176.870 0.017 0.000 1.023 122 L CA -0.592 54.254 54.840 0.009 0.000 0.812 122 L CB 1.572 43.660 42.059 0.049 0.000 1.223 122 L HN 0.386 nan 8.230 nan 0.000 0.421 123 M N 5.341 124.963 119.600 0.036 0.000 2.053 123 M HA 0.453 4.933 4.480 -0.001 0.000 0.297 123 M C -0.562 175.780 176.300 0.070 0.000 0.921 123 M CA -0.525 54.803 55.300 0.047 0.000 0.918 123 M CB 1.542 34.164 32.600 0.037 0.000 1.499 123 M HN 0.378 nan 8.290 nan 0.000 0.422 124 V N 0.654 120.626 119.914 0.096 0.000 3.167 124 V HA 0.650 4.769 4.120 -0.001 0.000 0.310 124 V C -0.211 175.949 176.094 0.109 0.000 1.207 124 V CA -1.349 61.029 62.300 0.131 0.000 1.059 124 V CB 2.132 34.114 31.823 0.266 0.000 1.079 124 V HN 0.750 nan 8.190 nan 0.000 0.446 125 K N 1.560 122.029 120.400 0.115 0.000 2.447 125 K HA 0.253 4.572 4.320 -0.001 0.000 0.281 125 K C -0.507 176.143 176.600 0.084 0.000 1.031 125 K CA -0.271 56.069 56.287 0.088 0.000 1.019 125 K CB 0.342 32.892 32.500 0.084 0.000 0.918 125 K HN 0.582 nan 8.250 nan 0.000 0.476 126 R N 3.830 124.358 120.500 0.046 0.000 2.346 126 R HA 0.243 4.582 4.340 -0.001 0.000 0.311 126 R C -0.412 175.900 176.300 0.020 0.000 0.983 126 R CA -0.539 55.569 56.100 0.013 0.000 0.880 126 R CB 1.337 31.639 30.300 0.003 0.000 1.100 126 R HN 0.576 nan 8.270 nan 0.000 0.453 127 K N 3.377 123.786 120.400 0.015 0.000 2.144 127 K HA 0.330 4.649 4.320 -0.001 0.000 0.270 127 K C -2.194 174.412 176.600 0.010 0.000 1.005 127 K CA -1.732 54.569 56.287 0.024 0.000 0.932 127 K CB 0.443 32.967 32.500 0.040 0.000 1.021 127 K HN 0.200 nan 8.250 nan 0.000 0.462 128 P HA -0.089 nan 4.420 nan 0.000 0.268 128 P C -0.669 176.638 177.300 0.011 0.000 1.189 128 P CA 0.606 63.712 63.100 0.011 0.000 0.771 128 P CB 0.434 32.141 31.700 0.013 0.000 0.822 129 I N 1.014 121.591 120.570 0.012 0.000 3.263 129 I HA 0.314 4.484 4.170 -0.001 0.000 0.314 129 I C -1.142 174.987 176.117 0.019 0.000 1.269 129 I CA -0.968 60.343 61.300 0.017 0.000 0.942 129 I CB 2.279 40.291 38.000 0.020 0.000 1.305 129 I HN 0.258 nan 8.210 nan 0.000 0.474 130 N N 3.435 122.150 118.700 0.026 0.000 2.342 130 N HA 0.556 5.295 4.740 -0.001 0.000 0.293 130 N C -1.439 174.093 175.510 0.036 0.000 1.026 130 N CA -0.617 52.449 53.050 0.027 0.000 0.857 130 N CB 2.224 40.727 38.487 0.027 0.000 1.256 130 N HN 0.165 nan 8.380 nan 0.000 0.484 131 I N 1.792 122.382 120.570 0.033 0.000 2.707 131 I HA 0.378 4.547 4.170 -0.001 0.000 0.309 131 I C -0.716 175.426 176.117 0.042 0.000 1.001 131 I CA -0.696 60.631 61.300 0.044 0.000 1.129 131 I CB 1.492 39.513 38.000 0.036 0.000 1.308 131 I HN 0.544 nan 8.210 nan 0.000 0.466 132 N N 4.088 122.821 118.700 0.055 0.000 2.493 132 N HA 0.534 5.274 4.740 -0.001 0.000 0.279 132 N C -1.183 174.366 175.510 0.064 0.000 1.082 132 N CA -0.545 52.535 53.050 0.051 0.000 0.963 132 N CB 1.783 40.301 38.487 0.052 0.000 1.627 132 N HN 0.495 nan 8.380 nan 0.000 0.499 133 I N 0.963 121.558 120.570 0.042 0.000 2.498 133 I HA 0.280 4.450 4.170 -0.001 0.000 0.301 133 I C 0.086 176.231 176.117 0.047 0.000 0.984 133 I CA -0.665 60.661 61.300 0.044 0.000 1.204 133 I CB 1.202 39.155 38.000 -0.080 0.000 1.362 133 I HN 0.720 nan 8.210 nan 0.000 0.471 134 D N 6.380 126.828 120.400 0.081 0.000 2.319 134 D HA 0.039 4.678 4.640 -0.001 0.000 0.230 134 D C 0.399 176.716 176.300 0.029 0.000 1.094 134 D CA -0.023 54.016 54.000 0.065 0.000 0.856 134 D CB -0.279 40.571 40.800 0.084 0.000 0.915 134 D HN 0.268 nan 8.370 nan 0.000 0.517 135 L N 1.904 123.103 121.223 -0.040 0.000 2.490 135 L HA 0.128 4.468 4.340 -0.001 0.000 0.274 135 L C -1.636 175.219 176.870 -0.025 0.000 1.201 135 L CA -1.280 53.472 54.840 -0.146 0.000 0.869 135 L CB 0.115 41.909 42.059 -0.441 0.000 1.123 135 L HN -0.070 nan 8.230 nan 0.000 0.484 136 P HA 0.018 nan 4.420 nan 0.000 0.268 136 P C 0.450 177.863 177.300 0.188 0.000 1.204 136 P CA 0.326 63.478 63.100 0.088 0.000 0.768 136 P CB 0.931 32.669 31.700 0.064 0.000 0.842 137 G N 1.977 110.870 108.800 0.155 0.000 2.182 137 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.248 137 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.248 137 G C 0.049 175.067 174.900 0.197 0.000 1.042 137 G CA 0.131 45.342 45.100 0.184 0.000 0.775 137 G HN 0.578 nan 8.290 nan 0.000 0.501 138 L N -0.780 120.546 121.223 0.172 0.000 3.360 138 L HA 0.433 4.773 4.340 -0.001 0.000 0.303 138 L C 1.159 178.092 176.870 0.106 0.000 1.218 138 L CA -0.091 54.843 54.840 0.157 0.000 1.059 138 L CB 0.186 42.374 42.059 0.215 0.000 1.468 138 L HN 0.210 nan 8.230 nan 0.000 0.614 139 K N 0.840 121.295 120.400 0.092 0.000 2.365 139 K HA 0.255 4.575 4.320 -0.001 0.000 0.268 139 K C 1.104 177.739 176.600 0.059 0.000 1.173 139 K CA 1.076 57.404 56.287 0.069 0.000 1.204 139 K CB -0.484 32.053 32.500 0.062 0.000 0.832 139 K HN 0.470 nan 8.250 nan 0.000 0.481 140 G N 3.009 111.840 108.800 0.052 0.000 2.481 140 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.200 140 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.200 140 G C 0.284 175.208 174.900 0.040 0.000 1.012 140 G CA 0.071 45.197 45.100 0.042 0.000 0.676 140 G HN 0.677 nan 8.290 nan 0.000 0.488 141 E N 0.619 120.848 120.200 0.048 0.000 2.758 141 E HA 0.246 4.596 4.350 -0.001 0.000 0.215 141 E C 0.428 177.059 176.600 0.052 0.000 0.985 141 E CA 0.097 56.523 56.400 0.043 0.000 1.102 141 E CB -0.118 29.606 29.700 0.039 0.000 1.042 141 E HN 0.399 nan 8.360 nan 0.000 0.480 142 N N 0.903 119.637 118.700 0.057 0.000 2.575 142 N HA 0.086 4.826 4.740 -0.001 0.000 0.275 142 N C -1.072 174.461 175.510 0.038 0.000 1.202 142 N CA -0.454 52.630 53.050 0.056 0.000 0.945 142 N CB 0.659 39.184 38.487 0.064 0.000 1.247 142 N HN -0.068 nan 8.380 nan 0.000 0.510 143 S N 0.037 115.755 115.700 0.031 0.000 2.614 143 S HA 0.492 4.962 4.470 -0.001 0.000 0.275 143 S C -1.033 173.577 174.600 0.018 0.000 1.161 143 S CA -0.804 57.411 58.200 0.026 0.000 0.969 143 S CB 1.228 64.445 63.200 0.029 0.000 1.059 143 S HN 0.289 nan 8.310 nan 0.000 0.482 144 I N 1.866 122.443 120.570 0.012 0.000 3.170 144 I HA 0.679 4.848 4.170 -0.001 0.000 0.312 144 I C -0.711 175.409 176.117 0.005 0.000 1.085 144 I CA -0.995 60.307 61.300 0.004 0.000 0.999 144 I CB 1.860 39.856 38.000 -0.007 0.000 1.233 144 I HN 0.621 nan 8.210 nan 0.000 0.467 145 K N 1.791 122.191 120.400 -0.000 0.000 2.208 145 K HA 0.768 5.088 4.320 -0.001 0.000 0.247 145 K C -1.825 174.770 176.600 -0.008 0.000 0.953 145 K CA -0.651 55.636 56.287 0.001 0.000 0.837 145 K CB 1.703 34.205 32.500 0.003 0.000 1.131 145 K HN 0.373 nan 8.250 nan 0.000 0.431 146 V N 3.972 123.882 119.914 -0.007 0.000 2.320 146 V HA 0.075 4.195 4.120 -0.001 0.000 0.268 146 V C -0.534 175.554 176.094 -0.011 0.000 1.021 146 V CA -0.568 61.721 62.300 -0.018 0.000 0.813 146 V CB 0.901 32.711 31.823 -0.023 0.000 1.054 146 V HN 0.894 nan 8.190 nan 0.000 0.444 147 D N 1.473 121.866 120.400 -0.011 0.000 2.228 147 D HA -0.137 4.502 4.640 -0.001 0.000 0.203 147 D C 0.780 177.079 176.300 -0.002 0.000 0.988 147 D CA 1.456 55.454 54.000 -0.004 0.000 0.864 147 D CB 0.199 40.996 40.800 -0.005 0.000 0.928 147 D HN 0.542 nan 8.370 nan 0.000 0.469 148 D N -1.062 119.333 120.400 -0.010 0.000 2.468 148 D HA 0.190 4.830 4.640 -0.001 0.000 0.272 148 D C -2.746 173.549 176.300 -0.009 0.000 1.221 148 D CA -2.371 51.626 54.000 -0.004 0.000 0.860 148 D CB 0.562 41.359 40.800 -0.005 0.000 1.190 148 D HN -0.194 nan 8.370 nan 0.000 0.509 149 P HA 0.034 nan 4.420 nan 0.000 0.253 149 P C -0.877 176.459 177.300 0.060 0.000 1.159 149 P CA 0.760 63.879 63.100 0.032 0.000 0.779 149 P CB 0.484 32.221 31.700 0.063 0.000 0.745 150 T N 1.988 116.498 114.554 -0.073 0.000 2.907 150 T HA 0.034 4.384 4.350 -0.001 0.000 0.344 150 T C -0.117 174.244 174.700 -0.564 0.000 1.675 150 T CA -0.388 61.665 62.100 -0.078 0.000 1.076 150 T CB 0.391 69.263 68.868 0.006 0.000 1.483 150 T HN 0.198 nan 8.240 nan 0.000 0.487 151 Y N 2.818 122.725 120.300 -0.656 0.000 1.885 151 Y HA -0.240 4.310 4.550 -0.001 0.000 0.233 151 Y C 2.312 177.981 175.900 -0.386 0.000 1.104 151 Y CA 3.023 60.740 58.100 -0.639 0.000 1.045 151 Y CB -1.105 37.352 38.460 -0.005 0.000 0.906 151 Y HN 0.840 nan 8.280 nan 0.000 0.508 152 G N -0.074 108.413 108.800 -0.522 0.000 2.649 152 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.220 152 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.220 152 G C 1.700 176.361 174.900 -0.400 0.000 1.189 152 G CA 1.733 46.539 45.100 -0.490 0.000 0.777 152 G HN 0.449 nan 8.290 nan 0.000 0.602 153 K N 0.039 120.265 120.400 -0.290 0.000 1.988 153 K HA -0.126 4.194 4.320 -0.001 0.000 0.221 153 K C 2.722 179.156 176.600 -0.277 0.000 1.053 153 K CA 1.764 57.914 56.287 -0.227 0.000 0.959 153 K CB -1.031 31.368 32.500 -0.169 0.000 0.728 153 K HN 0.176 nan 8.250 nan 0.000 0.447 154 V N 0.477 120.161 119.914 -0.383 0.000 2.233 154 V HA -0.359 3.761 4.120 -0.001 0.000 0.252 154 V C 2.276 178.204 176.094 -0.278 0.000 1.063 154 V CA 2.375 64.474 62.300 -0.335 0.000 1.032 154 V CB -0.992 30.518 31.823 -0.521 0.000 0.645 154 V HN 0.367 nan 8.190 nan 0.000 0.446 155 S N 0.501 115.958 115.700 -0.405 0.000 2.392 155 S HA -0.232 4.238 4.470 -0.001 0.000 0.225 155 S C 2.143 176.606 174.600 -0.228 0.000 1.041 155 S CA 1.816 59.816 58.200 -0.335 0.000 1.100 155 S CB -1.227 61.628 63.200 -0.575 0.000 1.029 155 S HN 0.743 nan 8.310 nan 0.000 0.424 156 G N 1.549 110.206 108.800 -0.239 0.000 2.556 156 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.220 156 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.220 156 G C 1.579 176.409 174.900 -0.116 0.000 1.156 156 G CA 1.523 46.531 45.100 -0.153 0.000 0.766 156 G HN 0.641 nan 8.290 nan 0.000 0.583 157 A N 1.010 123.757 122.820 -0.122 0.000 1.869 157 A HA -0.121 4.199 4.320 -0.001 0.000 0.218 157 A C 2.448 179.984 177.584 -0.080 0.000 1.203 157 A CA 1.801 53.786 52.037 -0.087 0.000 0.638 157 A CB -0.572 18.379 19.000 -0.082 0.000 0.831 157 A HN 0.421 nan 8.150 nan 0.000 0.450 158 I N -0.034 120.479 120.570 -0.095 0.000 2.194 158 I HA -0.321 3.849 4.170 -0.001 0.000 0.246 158 I C 2.040 178.096 176.117 -0.101 0.000 1.093 158 I CA 1.741 62.980 61.300 -0.102 0.000 1.355 158 I CB -0.850 37.075 38.000 -0.126 0.000 1.046 158 I HN 0.318 nan 8.210 nan 0.000 0.413 159 D N 0.786 121.133 120.400 -0.089 0.000 2.127 159 D HA -0.277 4.363 4.640 -0.001 0.000 0.190 159 D C 1.984 178.254 176.300 -0.050 0.000 1.000 159 D CA 1.644 55.607 54.000 -0.062 0.000 0.839 159 D CB -0.498 40.269 40.800 -0.057 0.000 0.955 159 D HN 0.446 nan 8.370 nan 0.000 0.446 160 E N 0.217 120.388 120.200 -0.049 0.000 2.118 160 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 160 E C 2.294 178.880 176.600 -0.024 0.000 0.992 160 E CA 0.595 56.975 56.400 -0.032 0.000 0.804 160 E CB -0.113 29.567 29.700 -0.033 0.000 0.741 160 E HN 0.223 nan 8.360 nan 0.000 0.458 161 L N 0.231 121.431 121.223 -0.038 0.000 1.970 161 L HA -0.215 4.125 4.340 -0.001 0.000 0.212 161 L C 2.587 179.444 176.870 -0.020 0.000 1.071 161 L CA 1.224 56.046 54.840 -0.030 0.000 0.751 161 L CB -0.812 41.213 42.059 -0.057 0.000 0.889 161 L HN 0.128 nan 8.230 nan 0.000 0.432 162 V N 0.496 120.360 119.914 -0.083 0.000 2.218 162 V HA -0.395 3.725 4.120 -0.001 0.000 0.251 162 V C 2.754 178.873 176.094 0.042 0.000 1.057 162 V CA 2.435 64.682 62.300 -0.088 0.000 1.022 162 V CB -1.222 30.526 31.823 -0.125 0.000 0.645 162 V HN 0.713 nan 8.190 nan 0.000 0.451 163 S N 0.786 116.498 115.700 0.020 0.000 2.380 163 S HA -0.445 4.025 4.470 -0.001 0.000 0.229 163 S C 2.028 176.670 174.600 0.071 0.000 1.050 163 S CA 2.504 60.726 58.200 0.036 0.000 1.100 163 S CB -0.848 62.355 63.200 0.005 0.000 0.984 163 S HN 0.636 nan 8.310 nan 0.000 0.434 164 K N -0.203 120.231 120.400 0.056 0.000 2.163 164 K HA -0.255 4.065 4.320 -0.001 0.000 0.210 164 K C 1.900 178.560 176.600 0.101 0.000 1.048 164 K CA 1.878 58.199 56.287 0.055 0.000 0.928 164 K CB -0.462 32.065 32.500 0.045 0.000 0.716 164 K HN 0.689 nan 8.250 nan 0.000 0.459 165 W N 1.900 123.186 121.300 -0.022 0.000 2.380 165 W HA -0.132 4.527 4.660 -0.001 0.000 0.317 165 W C 1.752 178.312 176.519 0.069 0.000 1.196 165 W CA 1.869 59.221 57.345 0.011 0.000 1.307 165 W CB -0.457 28.953 29.460 -0.083 0.000 1.157 165 W HN 0.133 nan 8.180 nan 0.000 0.483 166 N N 0.378 119.310 118.700 0.386 0.000 2.144 166 N HA -0.265 4.475 4.740 -0.001 0.000 0.195 166 N C 1.212 176.724 175.510 0.003 0.000 1.006 166 N CA 2.197 55.371 53.050 0.207 0.000 0.880 166 N CB -0.553 37.986 38.487 0.087 0.000 1.018 166 N HN 0.264 nan 8.380 nan 0.000 0.443 167 E N 0.971 121.162 120.200 -0.015 0.000 2.077 167 E HA -0.089 4.260 4.350 -0.001 0.000 0.193 167 E C 1.832 178.349 176.600 -0.137 0.000 0.989 167 E CA 0.924 57.287 56.400 -0.062 0.000 0.800 167 E CB -0.203 29.473 29.700 -0.039 0.000 0.746 167 E HN 0.351 nan 8.360 nan 0.000 0.452 168 K N -0.684 119.610 120.400 -0.176 0.000 2.365 168 K HA -0.061 4.258 4.320 -0.001 0.000 0.199 168 K C -0.362 175.846 176.600 -0.653 0.000 1.045 168 K CA 0.657 56.762 56.287 -0.303 0.000 0.962 168 K CB 0.222 32.614 32.500 -0.180 0.000 0.759 168 K HN 0.107 nan 8.250 nan 0.000 0.469 169 Y N -0.247 119.683 120.300 -0.617 0.000 2.592 169 Y HA 0.236 4.786 4.550 -0.001 0.000 0.354 169 Y C 0.377 176.120 175.900 -0.262 0.000 1.063 169 Y CA -0.725 57.022 58.100 -0.588 0.000 1.205 169 Y CB 1.457 39.142 38.460 -1.292 0.000 1.106 169 Y HN -0.082 nan 8.280 nan 0.000 0.649 170 S N -0.570 115.066 115.700 -0.106 0.000 2.470 170 S HA -0.101 4.368 4.470 -0.001 0.000 0.225 170 S C 1.752 176.416 174.600 0.106 0.000 1.006 170 S CA 0.870 59.072 58.200 0.004 0.000 0.934 170 S CB 0.207 63.389 63.200 -0.031 0.000 0.778 170 S HN 0.470 nan 8.310 nan 0.000 0.517 171 S N 2.191 117.918 115.700 0.044 0.000 2.660 171 S HA 0.128 4.597 4.470 -0.001 0.000 0.227 171 S C 0.234 174.891 174.600 0.094 0.000 0.948 171 S CA -0.225 58.003 58.200 0.046 0.000 0.948 171 S CB -0.326 62.865 63.200 -0.016 0.000 0.779 171 S HN 0.620 nan 8.310 nan 0.000 0.487 172 T N -1.633 113.053 114.554 0.220 0.000 2.928 172 T HA 0.479 4.829 4.350 -0.001 0.000 0.296 172 T C -0.197 174.736 174.700 0.389 0.000 1.000 172 T CA -0.737 61.511 62.100 0.247 0.000 0.989 172 T CB 1.278 70.308 68.868 0.270 0.000 1.005 172 T HN 0.305 nan 8.240 nan 0.000 0.442 173 H N 1.377 120.446 119.070 -0.001 0.000 2.986 173 H HA 0.249 4.804 4.556 -0.001 0.000 0.267 173 H C 0.167 175.379 175.328 -0.193 0.000 1.072 173 H CA -0.346 55.664 56.048 -0.063 0.000 1.202 173 H CB 1.152 30.879 29.762 -0.059 0.000 1.535 173 H HN 0.799 nan 8.280 nan 0.000 0.522 174 T N 0.085 114.598 114.554 -0.068 0.000 2.991 174 T HA 0.535 4.884 4.350 -0.001 0.000 0.303 174 T C -0.780 173.796 174.700 -0.207 0.000 1.015 174 T CA -0.709 61.251 62.100 -0.234 0.000 1.007 174 T CB 2.159 70.944 68.868 -0.138 0.000 1.034 174 T HN 0.015 nan 8.240 nan 0.000 0.446 175 L N 3.058 124.062 121.223 -0.366 0.000 2.370 175 L HA 0.575 4.915 4.340 -0.001 0.000 0.266 175 L C -2.470 174.429 176.870 0.048 0.000 1.002 175 L CA -2.855 51.909 54.840 -0.128 0.000 0.818 175 L CB 2.913 44.901 42.059 -0.119 0.000 1.325 175 L HN 0.402 nan 8.230 nan 0.000 0.418 176 P HA -0.000 nan 4.420 nan 0.000 0.269 176 P C -1.151 176.280 177.300 0.219 0.000 1.205 176 P CA 0.056 63.231 63.100 0.123 0.000 0.780 176 P CB 0.552 32.303 31.700 0.084 0.000 0.858 177 A N 2.378 125.315 122.820 0.194 0.000 2.337 177 A HA 0.481 4.801 4.320 -0.001 0.000 0.329 177 A C -0.249 177.408 177.584 0.123 0.000 1.146 177 A CA -0.787 51.383 52.037 0.221 0.000 0.800 177 A CB 0.803 20.029 19.000 0.376 0.000 1.220 177 A HN 0.428 nan 8.150 nan 0.000 0.472 178 R N 1.654 122.200 120.500 0.075 0.000 2.345 178 R HA 0.266 4.605 4.340 -0.001 0.000 0.331 178 R C -0.584 175.733 176.300 0.029 0.000 1.067 178 R CA 0.263 56.386 56.100 0.039 0.000 0.962 178 R CB 0.012 30.317 30.300 0.009 0.000 0.987 178 R HN 0.635 nan 8.270 nan 0.000 0.451 179 T N 3.815 118.400 114.554 0.052 0.000 2.771 179 T HA 0.148 4.498 4.350 -0.001 0.000 0.291 179 T C 0.033 174.774 174.700 0.068 0.000 0.954 179 T CA -0.473 61.670 62.100 0.072 0.000 1.045 179 T CB 1.145 70.084 68.868 0.118 0.000 0.917 179 T HN 0.409 nan 8.240 nan 0.000 0.484 180 Q N 2.230 122.059 119.800 0.048 0.000 2.341 180 Q HA 0.323 4.663 4.340 -0.001 0.000 0.268 180 Q C -1.387 174.643 176.000 0.051 0.000 1.013 180 Q CA -0.759 55.067 55.803 0.038 0.000 0.798 180 Q CB 1.901 30.631 28.738 -0.013 0.000 1.253 180 Q HN 0.664 nan 8.270 nan 0.000 0.457 181 Y N 1.480 121.726 120.300 -0.090 0.000 2.308 181 Y HA 0.363 4.913 4.550 -0.001 0.000 0.329 181 Y C -0.541 175.268 175.900 -0.152 0.000 1.111 181 Y CA 0.035 58.031 58.100 -0.174 0.000 1.179 181 Y CB 1.117 39.498 38.460 -0.131 0.000 1.201 181 Y HN 0.521 nan 8.280 nan 0.000 0.483 182 S N 4.570 119.880 115.700 -0.650 0.000 2.588 182 S HA 0.615 5.085 4.470 -0.001 0.000 0.275 182 S C -1.521 172.580 174.600 -0.832 0.000 1.130 182 S CA -1.060 56.838 58.200 -0.503 0.000 0.855 182 S CB 2.454 65.488 63.200 -0.277 0.000 1.116 182 S HN 0.686 nan 8.310 nan 0.000 0.472 183 E N 0.351 120.239 120.200 -0.520 0.000 2.401 183 E HA 0.522 4.871 4.350 -0.001 0.000 0.283 183 E C -1.884 174.580 176.600 -0.227 0.000 1.053 183 E CA -0.429 55.710 56.400 -0.435 0.000 0.842 183 E CB 1.540 30.927 29.700 -0.521 0.000 1.222 183 E HN 0.681 nan 8.360 nan 0.000 0.429 184 S N 3.692 119.286 115.700 -0.176 0.000 2.680 184 S HA 0.389 4.858 4.470 -0.001 0.000 0.284 184 S C -1.018 173.480 174.600 -0.171 0.000 1.055 184 S CA -0.807 57.298 58.200 -0.158 0.000 0.849 184 S CB 1.028 64.121 63.200 -0.179 0.000 1.068 184 S HN 0.479 nan 8.310 nan 0.000 0.453 185 M N 2.184 121.652 119.600 -0.219 0.000 2.055 185 M HA 0.470 4.949 4.480 -0.001 0.000 0.279 185 M C -0.196 175.858 176.300 -0.409 0.000 1.236 185 M CA -0.364 54.782 55.300 -0.258 0.000 1.074 185 M CB 0.535 32.962 32.600 -0.288 0.000 1.394 185 M HN 0.602 nan 8.290 nan 0.000 0.492 186 V N 0.733 120.441 119.914 -0.344 0.000 2.483 186 V HA 0.293 4.413 4.120 -0.001 0.000 0.297 186 V C -0.353 175.713 176.094 -0.048 0.000 1.027 186 V CA -0.432 61.721 62.300 -0.244 0.000 0.855 186 V CB 1.175 32.920 31.823 -0.129 0.000 0.995 186 V HN 0.786 nan 8.190 nan 0.000 0.424 187 Y N 1.908 122.210 120.300 0.003 0.000 2.526 187 Y HA 0.430 4.980 4.550 -0.001 0.000 0.265 187 Y C 1.217 177.177 175.900 0.100 0.000 1.092 187 Y CA 0.122 58.257 58.100 0.058 0.000 1.277 187 Y CB 1.508 40.028 38.460 0.101 0.000 1.228 187 Y HN 0.634 nan 8.280 nan 0.000 0.507 188 S N -0.700 115.123 115.700 0.206 0.000 2.565 188 S HA 0.225 4.694 4.470 -0.001 0.000 0.274 188 S C -0.192 174.401 174.600 -0.010 0.000 1.144 188 S CA -0.829 57.441 58.200 0.116 0.000 0.849 188 S CB 1.412 64.647 63.200 0.057 0.000 1.103 188 S HN 0.154 nan 8.310 nan 0.000 0.455 189 K N 1.213 121.339 120.400 -0.456 0.000 2.032 189 K HA -0.062 4.257 4.320 -0.001 0.000 0.209 189 K C 1.929 178.393 176.600 -0.226 0.000 1.048 189 K CA 1.587 57.522 56.287 -0.587 0.000 0.927 189 K CB -0.582 31.407 32.500 -0.852 0.000 0.712 189 K HN 0.459 nan 8.250 nan 0.000 0.441 190 S N 0.612 116.195 115.700 -0.195 0.000 2.469 190 S HA -0.150 4.320 4.470 -0.001 0.000 0.238 190 S C 1.920 176.455 174.600 -0.108 0.000 0.998 190 S CA 1.041 59.174 58.200 -0.112 0.000 0.957 190 S CB -0.003 63.159 63.200 -0.064 0.000 0.764 190 S HN 0.274 nan 8.310 nan 0.000 0.514 191 Q N 0.387 120.088 119.800 -0.165 0.000 2.063 191 Q HA 0.050 4.390 4.340 -0.001 0.000 0.194 191 Q C 2.124 177.970 176.000 -0.257 0.000 0.974 191 Q CA 0.950 56.549 55.803 -0.340 0.000 0.827 191 Q CB -0.554 27.815 28.738 -0.614 0.000 0.902 191 Q HN 0.556 nan 8.270 nan 0.000 0.462 192 I N 1.300 121.767 120.570 -0.172 0.000 2.423 192 I HA -0.187 3.982 4.170 -0.001 0.000 0.254 192 I C 2.223 178.280 176.117 -0.101 0.000 1.151 192 I CA 1.331 62.555 61.300 -0.126 0.000 1.421 192 I CB -0.334 37.646 38.000 -0.033 0.000 1.079 192 I HN 0.119 nan 8.210 nan 0.000 0.431 193 S N -1.533 114.112 115.700 -0.091 0.000 2.481 193 S HA -0.093 4.377 4.470 -0.001 0.000 0.231 193 S C 2.099 176.652 174.600 -0.078 0.000 0.996 193 S CA 1.398 59.549 58.200 -0.082 0.000 0.942 193 S CB -0.289 62.860 63.200 -0.085 0.000 0.768 193 S HN 0.590 nan 8.310 nan 0.000 0.520 194 S N -0.325 115.325 115.700 -0.083 0.000 2.506 194 S HA 0.386 4.856 4.470 -0.001 0.000 0.230 194 S C 2.007 176.566 174.600 -0.069 0.000 1.066 194 S CA 0.629 58.791 58.200 -0.062 0.000 0.940 194 S CB -0.397 62.779 63.200 -0.040 0.000 0.818 194 S HN 0.590 nan 8.310 nan 0.000 0.518 195 A N 1.660 124.424 122.820 -0.093 0.000 1.851 195 A HA 0.024 4.344 4.320 -0.001 0.000 0.216 195 A C 1.948 179.477 177.584 -0.091 0.000 1.195 195 A CA 1.448 53.427 52.037 -0.095 0.000 0.622 195 A CB -0.864 18.055 19.000 -0.135 0.000 0.831 195 A HN 0.531 nan 8.150 nan 0.000 0.444 196 L N -1.017 120.151 121.223 -0.093 0.000 2.509 196 L HA 0.054 4.393 4.340 -0.001 0.000 0.222 196 L C 0.868 177.707 176.870 -0.051 0.000 1.123 196 L CA 0.561 55.357 54.840 -0.073 0.000 0.856 196 L CB -0.377 41.646 42.059 -0.060 0.000 0.985 196 L HN 0.715 nan 8.230 nan 0.000 0.456 197 N N 0.831 119.494 118.700 -0.061 0.000 2.771 197 N HA -0.150 4.589 4.740 -0.001 0.000 0.249 197 N C -0.944 174.537 175.510 -0.048 0.000 1.069 197 N CA 0.288 53.303 53.050 -0.058 0.000 0.688 197 N CB -0.587 37.863 38.487 -0.062 0.000 0.928 197 N HN 0.158 nan 8.380 nan 0.000 0.551 198 V N -1.611 118.268 119.914 -0.057 0.000 3.049 198 V HA 0.505 4.625 4.120 -0.001 0.000 0.309 198 V C 0.282 176.332 176.094 -0.073 0.000 1.148 198 V CA -1.335 60.928 62.300 -0.060 0.000 0.990 198 V CB 1.624 33.395 31.823 -0.085 0.000 1.039 198 V HN 0.277 nan 8.190 nan 0.000 0.430 199 N N 1.255 119.916 118.700 -0.065 0.000 2.412 199 N HA 0.128 4.867 4.740 -0.001 0.000 0.258 199 N C 1.211 176.676 175.510 -0.074 0.000 1.236 199 N CA 0.823 53.836 53.050 -0.061 0.000 0.882 199 N CB 1.921 40.379 38.487 -0.049 0.000 1.066 199 N HN 1.064 nan 8.380 nan 0.000 0.465 200 A N 5.503 128.281 122.820 -0.069 0.000 1.930 200 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 200 A C 2.058 179.625 177.584 -0.027 0.000 1.175 200 A CA 1.001 53.005 52.037 -0.054 0.000 0.627 200 A CB -0.230 18.710 19.000 -0.100 0.000 0.815 200 A HN 0.722 nan 8.150 nan 0.000 0.443 201 K N -0.001 120.374 120.400 -0.042 0.000 2.034 201 K HA -0.166 4.153 4.320 -0.001 0.000 0.214 201 K C 2.019 178.606 176.600 -0.023 0.000 1.051 201 K CA 1.542 57.816 56.287 -0.023 0.000 0.931 201 K CB -1.223 31.259 32.500 -0.029 0.000 0.715 201 K HN 0.353 nan 8.250 nan 0.000 0.446 202 V N 2.114 121.997 119.914 -0.052 0.000 2.218 202 V HA -0.322 3.797 4.120 -0.001 0.000 0.251 202 V C 2.581 178.611 176.094 -0.106 0.000 1.057 202 V CA 2.214 64.465 62.300 -0.081 0.000 1.022 202 V CB -0.762 30.992 31.823 -0.116 0.000 0.645 202 V HN 0.237 nan 8.190 nan 0.000 0.451 203 L N -0.121 121.014 121.223 -0.147 0.000 2.021 203 L HA -0.286 4.053 4.340 -0.001 0.000 0.215 203 L C 2.663 179.491 176.870 -0.070 0.000 1.074 203 L CA 2.367 57.109 54.840 -0.163 0.000 0.760 203 L CB -0.806 41.162 42.059 -0.152 0.000 0.889 203 L HN 0.519 nan 8.230 nan 0.000 0.433 204 E N 0.013 120.233 120.200 0.034 0.000 2.331 204 E HA -0.221 4.129 4.350 -0.001 0.000 0.199 204 E C 1.361 177.974 176.600 0.023 0.000 1.008 204 E CA 1.349 57.805 56.400 0.094 0.000 0.843 204 E CB 0.165 29.999 29.700 0.222 0.000 0.761 204 E HN 0.558 nan 8.360 nan 0.000 0.507 205 N N -0.781 117.911 118.700 -0.014 0.000 2.622 205 N HA 0.036 4.775 4.740 -0.001 0.000 0.213 205 N C 1.664 177.136 175.510 -0.064 0.000 1.037 205 N CA 0.975 54.011 53.050 -0.023 0.000 0.999 205 N CB -0.279 38.198 38.487 -0.016 0.000 1.342 205 N HN -0.084 nan 8.380 nan 0.000 0.465 206 S N 0.661 116.304 115.700 -0.095 0.000 2.370 206 S HA 0.030 4.499 4.470 -0.001 0.000 0.226 206 S C 1.705 176.250 174.600 -0.092 0.000 1.033 206 S CA 0.954 59.080 58.200 -0.124 0.000 1.011 206 S CB -0.214 62.920 63.200 -0.111 0.000 0.852 206 S HN 0.192 nan 8.310 nan 0.000 0.457 207 L N 0.416 121.585 121.223 -0.090 0.000 2.554 207 L HA 0.261 4.601 4.340 -0.001 0.000 0.225 207 L C 1.012 177.834 176.870 -0.079 0.000 1.104 207 L CA 0.016 54.810 54.840 -0.076 0.000 0.866 207 L CB -0.327 41.674 42.059 -0.096 0.000 1.047 207 L HN 0.455 nan 8.230 nan 0.000 0.468 208 G N 1.813 110.568 108.800 -0.074 0.000 2.331 208 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.254 208 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.254 208 G C -0.352 174.479 174.900 -0.115 0.000 0.879 208 G CA -0.137 44.924 45.100 -0.065 0.000 1.287 208 G HN 0.041 nan 8.290 nan 0.000 0.383 209 V N 2.029 121.839 119.914 -0.173 0.000 2.539 209 V HA 0.454 4.574 4.120 -0.001 0.000 0.292 209 V C 0.690 176.595 176.094 -0.314 0.000 1.045 209 V CA 0.191 62.265 62.300 -0.376 0.000 0.945 209 V CB 1.960 33.308 31.823 -0.792 0.000 0.993 209 V HN 0.657 nan 8.190 nan 0.000 0.464 210 D N 2.411 122.628 120.400 -0.304 0.000 3.058 210 D HA 0.246 4.886 4.640 -0.001 0.000 0.272 210 D C 1.095 177.332 176.300 -0.104 0.000 1.350 210 D CA -0.327 53.592 54.000 -0.135 0.000 0.863 210 D CB -0.246 40.506 40.800 -0.081 0.000 1.064 210 D HN 0.372 nan 8.370 nan 0.000 0.488 211 F N 0.698 120.644 119.950 -0.007 0.000 2.068 211 F HA -0.401 4.125 4.527 -0.001 0.000 0.289 211 F C 1.968 177.775 175.800 0.012 0.000 1.089 211 F CA 1.698 59.699 58.000 0.002 0.000 1.263 211 F CB -0.791 38.208 39.000 -0.002 0.000 0.955 211 F HN 0.232 nan 8.300 nan 0.000 0.501 212 N N -0.360 118.458 118.700 0.197 0.000 2.513 212 N HA -0.098 4.641 4.740 -0.001 0.000 0.187 212 N C 1.525 177.074 175.510 0.065 0.000 1.056 212 N CA 0.946 54.065 53.050 0.114 0.000 0.907 212 N CB -0.356 38.183 38.487 0.087 0.000 0.954 212 N HN 0.414 nan 8.380 nan 0.000 0.445 213 A N -0.581 122.263 122.820 0.041 0.000 1.984 213 A HA 0.097 4.417 4.320 -0.001 0.000 0.214 213 A C 2.064 179.656 177.584 0.013 0.000 1.173 213 A CA 0.490 52.535 52.037 0.013 0.000 0.673 213 A CB -0.020 18.974 19.000 -0.011 0.000 0.830 213 A HN 0.105 nan 8.150 nan 0.000 0.453 214 V N -0.225 119.704 119.914 0.025 0.000 2.788 214 V HA -0.044 4.076 4.120 -0.001 0.000 0.251 214 V C 2.848 178.984 176.094 0.071 0.000 1.068 214 V CA 1.292 63.620 62.300 0.046 0.000 1.090 214 V CB -0.841 31.022 31.823 0.067 0.000 0.710 214 V HN 0.523 nan 8.190 nan 0.000 0.467 215 A N 0.541 123.417 122.820 0.093 0.000 2.070 215 A HA -0.156 4.163 4.320 -0.001 0.000 0.220 215 A C 1.694 179.300 177.584 0.037 0.000 1.159 215 A CA 1.696 53.785 52.037 0.087 0.000 0.656 215 A CB -0.375 18.691 19.000 0.110 0.000 0.800 215 A HN 0.584 nan 8.150 nan 0.000 0.453 216 N N -0.652 118.062 118.700 0.024 0.000 2.234 216 N HA 0.029 4.769 4.740 -0.001 0.000 0.227 216 N C 0.049 175.549 175.510 -0.017 0.000 1.151 216 N CA 0.301 53.352 53.050 0.003 0.000 0.865 216 N CB 0.009 38.502 38.487 0.011 0.000 1.066 216 N HN 0.530 nan 8.380 nan 0.000 0.515 217 N N 1.289 119.978 118.700 -0.019 0.000 2.721 217 N HA -0.220 4.520 4.740 -0.001 0.000 0.249 217 N C 0.374 175.861 175.510 -0.038 0.000 1.072 217 N CA 0.972 54.000 53.050 -0.037 0.000 0.710 217 N CB -0.496 37.948 38.487 -0.071 0.000 0.993 217 N HN 0.456 nan 8.380 nan 0.000 0.547 218 E N -0.645 119.541 120.200 -0.024 0.000 2.132 218 E HA 0.110 4.460 4.350 -0.001 0.000 0.193 218 E C -0.023 176.557 176.600 -0.032 0.000 0.951 218 E CA 0.409 56.793 56.400 -0.026 0.000 0.843 218 E CB 0.213 29.905 29.700 -0.014 0.000 0.807 218 E HN 0.351 nan 8.360 nan 0.000 0.467 219 K N 1.266 121.650 120.400 -0.027 0.000 2.123 219 K HA 0.390 4.709 4.320 -0.001 0.000 0.259 219 K C -0.531 176.054 176.600 -0.025 0.000 0.960 219 K CA -0.414 55.853 56.287 -0.033 0.000 0.872 219 K CB 1.810 34.286 32.500 -0.039 0.000 1.079 219 K HN -0.183 nan 8.250 nan 0.000 0.440 220 K N 2.169 122.551 120.400 -0.029 0.000 2.450 220 K HA 0.339 4.659 4.320 -0.001 0.000 0.257 220 K C -1.298 175.331 176.600 0.048 0.000 0.953 220 K CA -0.580 55.700 56.287 -0.012 0.000 0.844 220 K CB 1.804 34.247 32.500 -0.094 0.000 1.103 220 K HN 0.259 nan 8.250 nan 0.000 0.429 221 V N 4.397 124.336 119.914 0.041 0.000 2.555 221 V HA 0.483 4.602 4.120 -0.001 0.000 0.302 221 V C -0.288 175.827 176.094 0.035 0.000 1.038 221 V CA -0.778 61.540 62.300 0.031 0.000 0.887 221 V CB 1.783 33.549 31.823 -0.096 0.000 0.991 221 V HN 0.766 nan 8.190 nan 0.000 0.434 222 M N 5.661 125.291 119.600 0.050 0.000 2.197 222 M HA 0.595 5.075 4.480 -0.001 0.000 0.301 222 M C -1.571 174.668 176.300 -0.103 0.000 0.987 222 M CA -0.403 54.891 55.300 -0.010 0.000 0.921 222 M CB 1.572 34.228 32.600 0.092 0.000 1.569 222 M HN 0.534 nan 8.290 nan 0.000 0.431 223 I N 4.830 125.338 120.570 -0.103 0.000 2.437 223 I HA 0.417 4.587 4.170 -0.001 0.000 0.298 223 I C -0.747 175.321 176.117 -0.082 0.000 0.984 223 I CA -0.866 60.386 61.300 -0.080 0.000 1.214 223 I CB 1.876 39.824 38.000 -0.087 0.000 1.365 223 I HN 0.618 nan 8.210 nan 0.000 0.469 224 L N 4.787 126.001 121.223 -0.015 0.000 2.322 224 L HA 0.636 4.975 4.340 -0.001 0.000 0.279 224 L C -0.003 176.806 176.870 -0.102 0.000 1.036 224 L CA -0.542 54.234 54.840 -0.108 0.000 0.807 224 L CB 1.796 43.907 42.059 0.087 0.000 1.226 224 L HN 0.676 nan 8.230 nan 0.000 0.433 225 A N 3.344 125.913 122.820 -0.417 0.000 2.664 225 A HA 0.428 4.748 4.320 -0.001 0.000 0.338 225 A C -1.168 176.125 177.584 -0.484 0.000 1.280 225 A CA -0.265 51.567 52.037 -0.342 0.000 0.809 225 A CB -0.125 18.760 19.000 -0.191 0.000 1.114 225 A HN 0.647 nan 8.150 nan 0.000 0.479 226 Y N 1.771 121.924 120.300 -0.244 0.000 2.817 226 Y HA 0.187 4.737 4.550 -0.001 0.000 0.339 226 Y C 0.978 176.748 175.900 -0.217 0.000 1.281 226 Y CA -0.100 57.919 58.100 -0.135 0.000 1.564 226 Y CB 0.436 38.852 38.460 -0.074 0.000 1.628 226 Y HN 0.610 nan 8.280 nan 0.000 0.489 227 K N 2.764 123.099 120.400 -0.108 0.000 2.395 227 K HA 0.009 4.328 4.320 -0.001 0.000 0.283 227 K C -0.297 176.248 176.600 -0.092 0.000 1.068 227 K CA -0.165 56.035 56.287 -0.144 0.000 1.039 227 K CB 0.391 32.811 32.500 -0.133 0.000 0.924 227 K HN 0.435 nan 8.250 nan 0.000 0.468 228 Q N 4.109 123.824 119.800 -0.143 0.000 2.267 228 Q HA 0.319 4.659 4.340 -0.001 0.000 0.255 228 Q C -0.187 175.622 176.000 -0.319 0.000 0.923 228 Q CA -0.203 55.516 55.803 -0.139 0.000 0.925 228 Q CB 1.341 30.013 28.738 -0.109 0.000 1.195 228 Q HN 0.577 nan 8.270 nan 0.000 0.417 229 I N 2.026 122.470 120.570 -0.210 0.000 2.545 229 I HA 0.267 4.437 4.170 -0.001 0.000 0.292 229 I C -0.047 175.998 176.117 -0.120 0.000 1.040 229 I CA -0.412 60.713 61.300 -0.292 0.000 1.068 229 I CB 1.250 39.155 38.000 -0.159 0.000 1.251 229 I HN 0.454 nan 8.210 nan 0.000 0.424 230 F N 4.249 123.888 119.950 -0.519 0.000 2.592 230 F HA 0.267 4.793 4.527 -0.001 0.000 0.280 230 F C 0.173 175.694 175.800 -0.466 0.000 1.083 230 F CA -0.612 56.814 58.000 -0.956 0.000 1.365 230 F CB -0.105 38.067 39.000 -1.380 0.000 1.100 230 F HN 0.541 nan 8.300 nan 0.000 0.633 231 Y N -2.696 117.512 120.300 -0.154 0.000 3.074 231 Y HA 0.433 4.983 4.550 -0.001 0.000 0.399 231 Y C -0.540 175.393 175.900 0.055 0.000 1.285 231 Y CA -1.580 56.476 58.100 -0.074 0.000 1.129 231 Y CB 0.273 38.672 38.460 -0.102 0.000 2.167 231 Y HN -0.082 nan 8.280 nan 0.000 0.412 232 T N -1.345 113.436 114.554 0.377 0.000 2.647 232 T HA 0.832 5.182 4.350 -0.001 0.000 0.295 232 T C -1.992 172.993 174.700 0.474 0.000 1.126 232 T CA -0.549 61.757 62.100 0.343 0.000 1.040 232 T CB 1.436 70.397 68.868 0.154 0.000 1.472 232 T HN 1.228 nan 8.240 nan 0.000 0.500 233 V N 2.021 122.158 119.914 0.371 0.000 2.655 233 V HA 0.654 4.773 4.120 -0.001 0.000 0.301 233 V C -0.617 175.596 176.094 0.200 0.000 1.082 233 V CA -0.622 61.848 62.300 0.284 0.000 0.899 233 V CB 2.030 34.057 31.823 0.339 0.000 1.014 233 V HN 1.272 nan 8.190 nan 0.000 0.429 234 S N 3.689 119.472 115.700 0.138 0.000 2.456 234 S HA 0.827 5.296 4.470 -0.001 0.000 0.316 234 S C -0.129 174.524 174.600 0.089 0.000 1.089 234 S CA -0.268 57.994 58.200 0.104 0.000 1.101 234 S CB 1.763 65.011 63.200 0.081 0.000 0.995 234 S HN 1.320 nan 8.310 nan 0.000 0.468 235 A N 3.131 126.002 122.820 0.086 0.000 2.343 235 A HA 0.434 4.754 4.320 -0.001 0.000 0.305 235 A C -0.203 177.413 177.584 0.054 0.000 1.308 235 A CA -0.699 51.381 52.037 0.072 0.000 0.949 235 A CB -0.411 18.635 19.000 0.076 0.000 1.148 235 A HN 0.826 nan 8.150 nan 0.000 0.545 236 D N 2.213 122.642 120.400 0.048 0.000 2.662 236 D HA -0.009 4.631 4.640 -0.001 0.000 0.233 236 D C 0.458 176.781 176.300 0.039 0.000 1.129 236 D CA 0.953 54.978 54.000 0.041 0.000 0.851 236 D CB 0.220 41.042 40.800 0.037 0.000 1.152 236 D HN 0.471 nan 8.370 nan 0.000 0.507 237 L N 5.089 126.336 121.223 0.040 0.000 2.540 237 L HA 0.094 4.433 4.340 -0.001 0.000 0.276 237 L C -1.510 175.385 176.870 0.041 0.000 1.212 237 L CA -1.212 53.653 54.840 0.042 0.000 0.893 237 L CB -0.270 41.816 42.059 0.046 0.000 1.138 237 L HN 0.215 nan 8.230 nan 0.000 0.491 238 P HA 0.141 nan 4.420 nan 0.000 0.282 238 P C -0.030 177.302 177.300 0.054 0.000 1.274 238 P CA -0.689 62.439 63.100 0.047 0.000 0.770 238 P CB 1.022 32.750 31.700 0.046 0.000 0.867 239 K N 2.286 122.715 120.400 0.049 0.000 2.113 239 K HA -0.086 4.233 4.320 -0.001 0.000 0.208 239 K C 0.523 177.156 176.600 0.056 0.000 1.047 239 K CA 1.278 57.593 56.287 0.047 0.000 0.928 239 K CB -0.417 32.108 32.500 0.040 0.000 0.716 239 K HN 0.406 nan 8.250 nan 0.000 0.446 240 N N -0.592 118.148 118.700 0.066 0.000 2.277 240 N HA 0.207 4.947 4.740 -0.001 0.000 0.286 240 N C -2.410 173.171 175.510 0.117 0.000 1.140 240 N CA -1.756 51.343 53.050 0.081 0.000 0.799 240 N CB 2.614 41.141 38.487 0.067 0.000 1.596 240 N HN -0.321 nan 8.380 nan 0.000 0.473 241 P HA -0.177 nan 4.420 nan 0.000 0.215 241 P C 1.207 178.732 177.300 0.375 0.000 1.163 241 P CA 2.021 65.289 63.100 0.281 0.000 0.894 241 P CB 0.141 32.016 31.700 0.292 0.000 0.791 242 S N -1.348 114.512 115.700 0.266 0.000 2.520 242 S HA -0.177 4.292 4.470 -0.001 0.000 0.249 242 S C 1.247 175.979 174.600 0.219 0.000 0.983 242 S CA 1.333 59.683 58.200 0.250 0.000 0.958 242 S CB -1.184 62.091 63.200 0.125 0.000 0.750 242 S HN 0.172 nan 8.310 nan 0.000 0.527 243 D N 0.809 121.310 120.400 0.167 0.000 2.340 243 D HA 0.253 4.893 4.640 -0.001 0.000 0.220 243 D C 1.348 177.691 176.300 0.072 0.000 1.039 243 D CA 0.313 54.375 54.000 0.103 0.000 0.866 243 D CB 0.214 41.058 40.800 0.073 0.000 0.913 243 D HN 0.473 nan 8.370 nan 0.000 0.523 244 L N -1.118 120.150 121.223 0.075 0.000 2.590 244 L HA 0.172 4.512 4.340 -0.001 0.000 0.181 244 L C 0.443 177.260 176.870 -0.087 0.000 1.134 244 L CA 0.034 54.810 54.840 -0.106 0.000 0.850 244 L CB -0.384 41.448 42.059 -0.378 0.000 1.172 244 L HN -0.196 nan 8.230 nan 0.000 0.498 245 F N 1.264 121.247 119.950 0.055 0.000 2.450 245 F HA 0.205 4.732 4.527 -0.001 0.000 0.339 245 F C 0.530 176.358 175.800 0.046 0.000 1.146 245 F CA -1.108 56.923 58.000 0.052 0.000 1.267 245 F CB -0.185 38.851 39.000 0.059 0.000 1.178 245 F HN -0.045 nan 8.300 nan 0.000 0.585 246 D N 1.344 121.882 120.400 0.229 0.000 2.350 246 D HA 0.021 4.661 4.640 -0.001 0.000 0.249 246 D C 0.941 177.319 176.300 0.130 0.000 1.119 246 D CA -0.209 53.877 54.000 0.142 0.000 0.886 246 D CB 0.645 41.504 40.800 0.098 0.000 1.195 246 D HN 0.478 nan 8.370 nan 0.000 0.437 247 D N 1.915 122.373 120.400 0.097 0.000 2.286 247 D HA -0.271 4.368 4.640 -0.001 0.000 0.195 247 D C 1.594 177.928 176.300 0.056 0.000 1.012 247 D CA 1.707 55.749 54.000 0.071 0.000 0.901 247 D CB -0.388 40.445 40.800 0.054 0.000 0.903 247 D HN 0.518 nan 8.370 nan 0.000 0.451 248 S N -0.112 115.623 115.700 0.057 0.000 2.547 248 S HA 0.001 4.470 4.470 -0.001 0.000 0.235 248 S C 0.997 175.622 174.600 0.042 0.000 0.980 248 S CA -0.103 58.124 58.200 0.044 0.000 0.941 248 S CB -0.006 63.219 63.200 0.043 0.000 0.763 248 S HN 0.024 nan 8.310 nan 0.000 0.532 249 V N 3.520 123.468 119.914 0.058 0.000 2.320 249 V HA 0.382 4.502 4.120 -0.001 0.000 0.265 249 V C 0.648 176.729 176.094 -0.022 0.000 1.048 249 V CA -0.294 62.030 62.300 0.039 0.000 0.865 249 V CB 0.365 32.262 31.823 0.123 0.000 1.043 249 V HN 0.584 nan 8.190 nan 0.000 0.474 250 T N 2.393 116.929 114.554 -0.030 0.000 2.845 250 T HA 0.265 4.615 4.350 -0.001 0.000 0.288 250 T C 0.939 175.604 174.700 -0.058 0.000 0.980 250 T CA -0.384 61.703 62.100 -0.022 0.000 1.071 250 T CB 0.712 69.580 68.868 -0.000 0.000 0.941 250 T HN 0.382 nan 8.240 nan 0.000 0.487 251 F N 3.959 123.809 119.950 -0.168 0.000 2.176 251 F HA -0.228 4.298 4.527 -0.001 0.000 0.301 251 F C 2.097 177.827 175.800 -0.117 0.000 1.071 251 F CA 2.252 60.141 58.000 -0.186 0.000 1.289 251 F CB -0.574 38.345 39.000 -0.135 0.000 1.028 251 F HN 0.845 nan 8.300 nan 0.000 0.494 252 N N -0.346 118.214 118.700 -0.233 0.000 2.364 252 N HA -0.175 4.565 4.740 -0.001 0.000 0.183 252 N C 1.027 176.378 175.510 -0.264 0.000 1.022 252 N CA 1.040 53.919 53.050 -0.285 0.000 0.883 252 N CB -0.146 38.287 38.487 -0.090 0.000 0.965 252 N HN 0.366 nan 8.380 nan 0.000 0.438 253 D N 0.560 120.835 120.400 -0.209 0.000 2.234 253 D HA -0.066 4.573 4.640 -0.001 0.000 0.205 253 D C 1.969 178.162 176.300 -0.179 0.000 0.962 253 D CA 0.495 54.408 54.000 -0.145 0.000 0.855 253 D CB -0.028 40.722 40.800 -0.082 0.000 0.951 253 D HN 0.381 nan 8.370 nan 0.000 0.500 254 L N 0.613 121.664 121.223 -0.287 0.000 2.131 254 L HA -0.005 4.335 4.340 -0.001 0.000 0.206 254 L C 2.455 179.122 176.870 -0.338 0.000 1.087 254 L CA 0.675 55.354 54.840 -0.268 0.000 0.767 254 L CB -0.394 41.486 42.059 -0.299 0.000 0.917 254 L HN -0.079 nan 8.230 nan 0.000 0.441 255 K N 0.236 120.287 120.400 -0.581 0.000 2.280 255 K HA -0.246 4.073 4.320 -0.001 0.000 0.202 255 K C 2.132 178.595 176.600 -0.230 0.000 1.047 255 K CA 1.338 57.349 56.287 -0.459 0.000 0.942 255 K CB 0.178 32.354 32.500 -0.540 0.000 0.739 255 K HN 0.131 nan 8.250 nan 0.000 0.457 256 Q N 0.915 120.593 119.800 -0.204 0.000 2.165 256 Q HA 0.041 4.381 4.340 -0.001 0.000 0.197 256 Q C 1.309 177.258 176.000 -0.085 0.000 0.952 256 Q CA 1.369 57.101 55.803 -0.119 0.000 0.848 256 Q CB 0.305 28.980 28.738 -0.104 0.000 0.931 256 Q HN 0.178 nan 8.270 nan 0.000 0.470 257 K N -1.275 119.074 120.400 -0.086 0.000 2.442 257 K HA -0.007 4.312 4.320 -0.001 0.000 0.198 257 K C 0.787 177.361 176.600 -0.042 0.000 1.044 257 K CA 0.934 57.193 56.287 -0.047 0.000 0.948 257 K CB 0.195 32.680 32.500 -0.024 0.000 0.762 257 K HN 0.409 nan 8.250 nan 0.000 0.472 258 G N 0.187 108.952 108.800 -0.059 0.000 2.813 258 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.194 258 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.194 258 G C 0.239 175.115 174.900 -0.040 0.000 1.010 258 G CA -0.241 44.834 45.100 -0.043 0.000 0.771 258 G HN 0.036 nan 8.290 nan 0.000 0.485 259 V N 1.910 121.796 119.914 -0.047 0.000 3.239 259 V HA 0.380 4.500 4.120 -0.001 0.000 0.297 259 V C 0.978 177.070 176.094 -0.003 0.000 1.206 259 V CA 1.367 63.657 62.300 -0.018 0.000 1.325 259 V CB 0.793 32.605 31.823 -0.018 0.000 0.981 259 V HN 2.005 nan 8.190 nan 0.000 0.513 260 S N 0.734 116.456 115.700 0.037 0.000 2.692 260 S HA 0.141 4.611 4.470 -0.001 0.000 0.266 260 S C 0.131 174.767 174.600 0.060 0.000 1.012 260 S CA -0.269 57.965 58.200 0.056 0.000 0.903 260 S CB 0.633 63.849 63.200 0.026 0.000 1.164 260 S HN 0.545 nan 8.310 nan 0.000 0.472 261 N N 0.810 119.561 118.700 0.085 0.000 2.519 261 N HA -0.039 4.701 4.740 -0.001 0.000 0.186 261 N C 0.258 175.801 175.510 0.055 0.000 1.062 261 N CA 1.294 54.416 53.050 0.119 0.000 0.910 261 N CB -0.321 38.237 38.487 0.119 0.000 0.958 261 N HN 0.654 nan 8.380 nan 0.000 0.445 262 E N -0.567 119.643 120.200 0.016 0.000 2.603 262 E HA 0.346 4.696 4.350 -0.001 0.000 0.211 262 E C 0.071 176.652 176.600 -0.033 0.000 0.995 262 E CA -0.139 56.259 56.400 -0.004 0.000 0.990 262 E CB 0.929 30.636 29.700 0.010 0.000 1.036 262 E HN 0.256 nan 8.360 nan 0.000 0.475 263 A N 0.882 123.671 122.820 -0.052 0.000 2.709 263 A HA 0.341 4.660 4.320 -0.001 0.000 0.241 263 A C -2.574 174.969 177.584 -0.069 0.000 0.879 263 A CA -1.002 51.005 52.037 -0.050 0.000 1.120 263 A CB 0.071 19.058 19.000 -0.022 0.000 1.226 263 A HN -0.086 nan 8.150 nan 0.000 0.468 264 P HA 0.078 nan 4.420 nan 0.000 0.256 264 P C -2.405 174.868 177.300 -0.045 0.000 1.189 264 P CA -0.172 62.801 63.100 -0.211 0.000 0.808 264 P CB 0.064 31.262 31.700 -0.836 0.000 0.793 265 P HA 0.036 nan 4.420 nan 0.000 0.267 265 P C -0.727 176.605 177.300 0.053 0.000 1.200 265 P CA 0.597 63.737 63.100 0.066 0.000 0.772 265 P CB 0.868 32.659 31.700 0.152 0.000 0.855 266 L N 2.236 123.452 121.223 -0.012 0.000 2.354 266 L HA 0.622 4.961 4.340 -0.001 0.000 0.264 266 L C 0.302 177.141 176.870 -0.050 0.000 1.008 266 L CA -0.965 53.835 54.840 -0.067 0.000 0.819 266 L CB 2.324 44.284 42.059 -0.165 0.000 1.339 266 L HN 0.355 nan 8.230 nan 0.000 0.420 267 M N 1.661 121.232 119.600 -0.047 0.000 2.383 267 M HA 0.441 4.920 4.480 -0.001 0.000 0.325 267 M C -1.162 175.120 176.300 -0.031 0.000 1.092 267 M CA -0.807 54.464 55.300 -0.050 0.000 0.961 267 M CB 1.997 34.578 32.600 -0.032 0.000 1.672 267 M HN 0.305 nan 8.290 nan 0.000 0.438 268 V N 4.828 124.717 119.914 -0.043 0.000 2.393 268 V HA -0.003 4.116 4.120 -0.001 0.000 0.257 268 V C 1.298 177.422 176.094 0.051 0.000 1.040 268 V CA 0.587 62.902 62.300 0.025 0.000 1.097 268 V CB -0.247 31.542 31.823 -0.056 0.000 1.101 268 V HN 1.040 nan 8.190 nan 0.000 0.479 269 S N 2.817 118.549 115.700 0.053 0.000 2.555 269 S HA 0.047 4.516 4.470 -0.001 0.000 0.230 269 S C 0.700 175.339 174.600 0.066 0.000 0.978 269 S CA 0.164 58.392 58.200 0.048 0.000 0.934 269 S CB -0.101 63.116 63.200 0.028 0.000 0.766 269 S HN 0.746 nan 8.310 nan 0.000 0.533 270 N N -0.661 118.093 118.700 0.091 0.000 3.049 270 N HA 0.381 5.120 4.740 -0.001 0.000 0.244 270 N C -2.257 173.321 175.510 0.113 0.000 1.203 270 N CA -0.291 52.815 53.050 0.093 0.000 0.945 270 N CB 2.332 40.848 38.487 0.048 0.000 1.616 270 N HN 0.037 nan 8.380 nan 0.000 0.505 271 V N 0.562 120.535 119.914 0.098 0.000 2.851 271 V HA 0.811 4.931 4.120 -0.001 0.000 0.307 271 V C -0.690 175.345 176.094 -0.098 0.000 1.129 271 V CA -0.855 61.435 62.300 -0.016 0.000 0.932 271 V CB 1.689 33.501 31.823 -0.018 0.000 1.024 271 V HN 0.828 nan 8.190 nan 0.000 0.426 272 A N 3.314 125.952 122.820 -0.304 0.000 2.342 272 A HA 0.920 5.239 4.320 -0.001 0.000 0.323 272 A C -1.598 175.634 177.584 -0.586 0.000 1.125 272 A CA -0.421 51.445 52.037 -0.285 0.000 0.785 272 A CB 0.931 19.810 19.000 -0.202 0.000 1.221 272 A HN 0.712 nan 8.150 nan 0.000 0.463 273 Y N 0.941 120.936 120.300 -0.508 0.000 2.446 273 Y HA 0.725 5.274 4.550 -0.001 0.000 0.338 273 Y C 1.022 176.442 175.900 -0.800 0.000 1.055 273 Y CA 0.548 58.287 58.100 -0.603 0.000 1.101 273 Y CB 2.343 40.339 38.460 -0.773 0.000 1.221 273 Y HN 1.253 nan 8.280 nan 0.000 0.460 274 G N 1.604 110.009 108.800 -0.658 0.000 2.403 274 G HA2 0.362 4.321 3.960 -0.001 0.000 0.223 274 G HA3 0.362 4.321 3.960 -0.001 0.000 0.223 274 G C -1.379 173.117 174.900 -0.673 0.000 1.287 274 G CA -0.732 43.599 45.100 -1.282 0.000 0.982 274 G HN 0.740 nan 8.290 nan 0.000 0.471 275 R N -2.214 117.937 120.500 -0.582 0.000 3.176 275 R HA 0.888 5.228 4.340 -0.001 0.000 0.247 275 R C -1.294 174.869 176.300 -0.229 0.000 1.382 275 R CA -0.596 55.340 56.100 -0.273 0.000 1.040 275 R CB 1.149 31.353 30.300 -0.160 0.000 1.426 275 R HN 0.681 nan 8.270 nan 0.000 0.485 276 T N 0.793 115.239 114.554 -0.180 0.000 3.237 276 T HA 0.403 4.752 4.350 -0.001 0.000 0.319 276 T C -0.584 173.923 174.700 -0.322 0.000 1.037 276 T CA -0.632 61.288 62.100 -0.299 0.000 1.048 276 T CB 1.073 69.669 68.868 -0.452 0.000 1.081 276 T HN 0.376 nan 8.240 nan 0.000 0.455 277 I N 3.165 123.584 120.570 -0.251 0.000 2.342 277 I HA 0.348 4.518 4.170 -0.001 0.000 0.291 277 I C -0.827 175.184 176.117 -0.177 0.000 1.010 277 I CA -0.646 60.587 61.300 -0.111 0.000 1.308 277 I CB 0.725 38.726 38.000 0.002 0.000 1.400 277 I HN 0.666 nan 8.210 nan 0.000 0.488 278 Y N 5.333 125.688 120.300 0.091 0.000 2.447 278 Y HA 0.386 4.935 4.550 -0.001 0.000 0.325 278 Y C -0.119 175.821 175.900 0.066 0.000 0.976 278 Y CA -0.870 57.266 58.100 0.060 0.000 1.280 278 Y CB 1.639 40.100 38.460 0.001 0.000 1.104 278 Y HN 0.234 nan 8.280 nan 0.000 0.486 279 V N 4.064 124.135 119.914 0.261 0.000 2.644 279 V HA 0.353 4.473 4.120 -0.001 0.000 0.295 279 V C -0.233 175.936 176.094 0.125 0.000 1.053 279 V CA -0.954 61.472 62.300 0.211 0.000 0.987 279 V CB 1.736 33.742 31.823 0.305 0.000 1.006 279 V HN 0.552 nan 8.190 nan 0.000 0.472 280 K N 3.657 124.102 120.400 0.075 0.000 2.463 280 K HA 0.597 4.917 4.320 -0.001 0.000 0.255 280 K C -1.900 174.637 176.600 -0.105 0.000 0.942 280 K CA -0.711 55.557 56.287 -0.030 0.000 0.814 280 K CB 1.322 33.791 32.500 -0.051 0.000 1.122 280 K HN 0.503 nan 8.250 nan 0.000 0.425 281 L N 3.952 125.020 121.223 -0.258 0.000 2.283 281 L HA 0.414 4.753 4.340 -0.001 0.000 0.281 281 L C -0.163 176.533 176.870 -0.291 0.000 1.033 281 L CA -0.247 54.228 54.840 -0.608 0.000 0.848 281 L CB 1.211 42.460 42.059 -1.350 0.000 1.226 281 L HN 0.607 nan 8.230 nan 0.000 0.429 282 E N 1.831 121.919 120.200 -0.186 0.000 2.195 282 E HA 0.734 5.084 4.350 -0.001 0.000 0.271 282 E C -0.915 175.697 176.600 0.020 0.000 0.923 282 E CA -0.412 55.975 56.400 -0.020 0.000 0.790 282 E CB 1.901 31.546 29.700 -0.092 0.000 1.155 282 E HN 0.475 nan 8.360 nan 0.000 0.402 283 T N 0.475 115.049 114.554 0.034 0.000 2.792 283 T HA 0.252 4.602 4.350 -0.001 0.000 0.303 283 T C 0.334 175.004 174.700 -0.050 0.000 1.310 283 T CA 0.153 62.240 62.100 -0.021 0.000 1.007 283 T CB 1.357 70.190 68.868 -0.060 0.000 1.335 283 T HN 0.570 nan 8.240 nan 0.000 0.504 284 T N -1.079 113.443 114.554 -0.054 0.000 3.001 284 T HA 0.319 4.668 4.350 -0.001 0.000 0.251 284 T C 1.274 175.934 174.700 -0.066 0.000 1.040 284 T CA 0.575 62.645 62.100 -0.050 0.000 0.985 284 T CB 0.039 68.888 68.868 -0.032 0.000 1.011 284 T HN 0.514 nan 8.240 nan 0.000 0.509 285 S N 1.066 116.711 115.700 -0.092 0.000 2.641 285 S HA 0.320 4.790 4.470 -0.001 0.000 0.251 285 S C 0.657 175.182 174.600 -0.124 0.000 1.332 285 S CA 0.090 58.224 58.200 -0.110 0.000 0.968 285 S CB 0.289 63.402 63.200 -0.146 0.000 0.987 285 S HN 0.515 nan 8.310 nan 0.000 0.587 286 S N 0.173 115.792 115.700 -0.135 0.000 2.976 286 S HA 0.175 4.645 4.470 -0.001 0.000 0.252 286 S C -0.258 174.244 174.600 -0.163 0.000 0.940 286 S CA -0.451 57.666 58.200 -0.139 0.000 1.283 286 S CB 0.315 63.444 63.200 -0.118 0.000 1.194 286 S HN 0.534 nan 8.310 nan 0.000 0.662 287 S N 3.266 118.861 115.700 -0.175 0.000 2.465 287 S HA 0.094 4.563 4.470 -0.001 0.000 0.280 287 S C 1.518 176.008 174.600 -0.182 0.000 1.232 287 S CA -0.398 57.693 58.200 -0.181 0.000 1.066 287 S CB 0.239 63.338 63.200 -0.168 0.000 0.929 287 S HN 0.518 nan 8.310 nan 0.000 0.494 288 K N 3.135 123.437 120.400 -0.163 0.000 2.259 288 K HA -0.227 4.093 4.320 -0.001 0.000 0.206 288 K C 0.071 176.590 176.600 -0.135 0.000 1.044 288 K CA 2.238 58.444 56.287 -0.135 0.000 0.931 288 K CB -0.582 31.853 32.500 -0.109 0.000 0.726 288 K HN 0.535 nan 8.250 nan 0.000 0.467 289 D N 1.069 121.381 120.400 -0.146 0.000 2.504 289 D HA 0.044 4.684 4.640 -0.001 0.000 0.243 289 D C 1.009 177.118 176.300 -0.318 0.000 1.203 289 D CA -0.040 53.864 54.000 -0.160 0.000 0.847 289 D CB 0.504 41.271 40.800 -0.056 0.000 0.973 289 D HN 0.006 nan 8.370 nan 0.000 0.490 290 V N 0.213 119.920 119.914 -0.345 0.000 2.231 290 V HA -0.244 3.875 4.120 -0.001 0.000 0.240 290 V C 2.496 178.268 176.094 -0.536 0.000 1.039 290 V CA 1.305 63.267 62.300 -0.563 0.000 0.998 290 V CB -0.541 30.944 31.823 -0.564 0.000 0.639 290 V HN 0.286 nan 8.190 nan 0.000 0.451 291 Q N -0.243 119.378 119.800 -0.299 0.000 2.197 291 Q HA -0.306 4.033 4.340 -0.001 0.000 0.211 291 Q C 2.158 178.127 176.000 -0.052 0.000 0.993 291 Q CA 2.288 58.042 55.803 -0.081 0.000 0.883 291 Q CB -0.276 28.449 28.738 -0.020 0.000 0.916 291 Q HN 0.657 nan 8.270 nan 0.000 0.418 292 A N 0.795 123.534 122.820 -0.134 0.000 1.829 292 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 292 A C 2.317 179.735 177.584 -0.278 0.000 1.207 292 A CA 2.161 54.124 52.037 -0.123 0.000 0.622 292 A CB -1.443 17.498 19.000 -0.098 0.000 0.846 292 A HN 0.565 nan 8.150 nan 0.000 0.447 293 A N -0.988 121.397 122.820 -0.725 0.000 1.881 293 A HA -0.217 4.103 4.320 -0.001 0.000 0.219 293 A C 2.126 179.690 177.584 -0.032 0.000 1.215 293 A CA 1.880 53.291 52.037 -1.044 0.000 0.648 293 A CB -1.207 17.119 19.000 -1.123 0.000 0.832 293 A HN 0.607 nan 8.150 nan 0.000 0.455 294 F N -0.126 119.769 119.950 -0.092 0.000 2.032 294 F HA -0.340 4.187 4.527 -0.001 0.000 0.297 294 F C 2.641 178.417 175.800 -0.040 0.000 1.125 294 F CA 1.924 59.914 58.000 -0.017 0.000 1.202 294 F CB -0.279 38.695 39.000 -0.045 0.000 0.958 294 F HN 0.242 nan 8.300 nan 0.000 0.491 295 K N 0.200 120.717 120.400 0.195 0.000 2.032 295 K HA -0.205 4.115 4.320 -0.001 0.000 0.209 295 K C 2.175 178.845 176.600 0.116 0.000 1.048 295 K CA 1.223 57.587 56.287 0.127 0.000 0.927 295 K CB -0.515 32.053 32.500 0.113 0.000 0.712 295 K HN 0.257 nan 8.250 nan 0.000 0.441 296 A N 1.583 124.488 122.820 0.141 0.000 1.892 296 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 296 A C 2.133 179.816 177.584 0.166 0.000 1.188 296 A CA 1.395 53.559 52.037 0.212 0.000 0.631 296 A CB -0.647 18.609 19.000 0.427 0.000 0.822 296 A HN 0.219 nan 8.150 nan 0.000 0.447 297 L N 0.038 121.335 121.223 0.124 0.000 1.970 297 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 297 L C 2.322 179.143 176.870 -0.082 0.000 1.071 297 L CA 1.840 56.636 54.840 -0.074 0.000 0.751 297 L CB -0.564 41.310 42.059 -0.308 0.000 0.889 297 L HN 0.491 nan 8.230 nan 0.000 0.432 298 I N -0.202 120.305 120.570 -0.105 0.000 2.110 298 I HA -0.446 3.724 4.170 -0.001 0.000 0.226 298 I C 2.268 178.469 176.117 0.139 0.000 1.001 298 I CA 2.088 63.437 61.300 0.081 0.000 1.309 298 I CB -0.584 37.489 38.000 0.122 0.000 1.022 298 I HN 0.271 nan 8.210 nan 0.000 0.384 299 K N 0.832 121.292 120.400 0.099 0.000 2.520 299 K HA -0.208 4.111 4.320 -0.001 0.000 0.198 299 K C 0.353 176.995 176.600 0.071 0.000 1.045 299 K CA 0.880 57.211 56.287 0.072 0.000 0.934 299 K CB -0.735 31.804 32.500 0.064 0.000 0.766 299 K HN 0.372 nan 8.250 nan 0.000 0.483 300 N N 1.378 120.128 118.700 0.084 0.000 2.642 300 N HA -0.161 4.579 4.740 -0.001 0.000 0.269 300 N C -0.986 174.566 175.510 0.069 0.000 1.073 300 N CA 1.020 54.114 53.050 0.073 0.000 0.748 300 N CB -0.531 37.993 38.487 0.061 0.000 0.894 300 N HN 0.381 nan 8.380 nan 0.000 0.548 301 T N -1.799 112.810 114.554 0.091 0.000 2.829 301 T HA 0.217 4.567 4.350 -0.001 0.000 0.282 301 T C 0.908 175.661 174.700 0.088 0.000 0.990 301 T CA -0.617 61.534 62.100 0.085 0.000 1.028 301 T CB 1.438 70.367 68.868 0.100 0.000 0.951 301 T HN 0.217 nan 8.240 nan 0.000 0.460 302 D N 1.843 122.278 120.400 0.058 0.000 2.397 302 D HA -0.112 4.527 4.640 -0.001 0.000 0.219 302 D C 1.426 177.748 176.300 0.038 0.000 0.975 302 D CA 0.650 54.677 54.000 0.045 0.000 0.940 302 D CB 0.176 40.992 40.800 0.026 0.000 0.884 302 D HN 0.577 nan 8.370 nan 0.000 0.505 303 I N 0.856 121.458 120.570 0.053 0.000 2.761 303 I HA -0.186 3.984 4.170 -0.001 0.000 0.261 303 I C 2.161 178.272 176.117 -0.010 0.000 1.198 303 I CA 0.580 61.873 61.300 -0.012 0.000 1.482 303 I CB -0.684 37.335 38.000 0.032 0.000 1.100 303 I HN 0.132 nan 8.210 nan 0.000 0.445 304 K N 0.959 121.488 120.400 0.215 0.000 2.616 304 K HA -0.052 4.268 4.320 -0.001 0.000 0.192 304 K C 0.621 177.411 176.600 0.316 0.000 1.031 304 K CA 0.785 57.343 56.287 0.451 0.000 1.004 304 K CB -0.251 32.446 32.500 0.328 0.000 0.810 304 K HN 0.285 nan 8.250 nan 0.000 0.497 305 N N 1.164 119.933 118.700 0.116 0.000 2.238 305 N HA -0.031 4.709 4.740 -0.001 0.000 0.222 305 N C -0.551 174.965 175.510 0.009 0.000 1.133 305 N CA -0.019 53.080 53.050 0.081 0.000 0.854 305 N CB 1.004 39.517 38.487 0.045 0.000 1.041 305 N HN 0.160 nan 8.380 nan 0.000 0.510 306 S N 0.832 116.472 115.700 -0.100 0.000 2.549 306 S HA -0.003 4.467 4.470 -0.001 0.000 0.283 306 S C 1.409 175.970 174.600 -0.065 0.000 1.320 306 S CA -0.203 57.870 58.200 -0.212 0.000 1.058 306 S CB 1.507 64.322 63.200 -0.641 0.000 0.882 306 S HN 0.113 nan 8.310 nan 0.000 0.498 307 Q N 3.003 122.774 119.800 -0.047 0.000 2.084 307 Q HA -0.139 4.200 4.340 -0.001 0.000 0.202 307 Q C 2.054 178.055 176.000 0.002 0.000 0.978 307 Q CA 2.353 58.155 55.803 -0.002 0.000 0.844 307 Q CB -0.594 28.140 28.738 -0.007 0.000 0.898 307 Q HN 0.900 nan 8.270 nan 0.000 0.426 308 Q N -0.834 118.952 119.800 -0.024 0.000 2.002 308 Q HA -0.202 4.138 4.340 -0.001 0.000 0.204 308 Q C 1.675 177.696 176.000 0.035 0.000 0.988 308 Q CA 2.008 57.811 55.803 0.000 0.000 0.843 308 Q CB -0.937 27.804 28.738 0.004 0.000 0.908 308 Q HN 0.483 nan 8.270 nan 0.000 0.420 309 Y N 1.148 121.324 120.300 -0.207 0.000 2.053 309 Y HA -0.234 4.316 4.550 -0.001 0.000 0.277 309 Y C 2.092 177.676 175.900 -0.527 0.000 1.159 309 Y CA 1.679 59.486 58.100 -0.487 0.000 1.125 309 Y CB -0.773 37.511 38.460 -0.293 0.000 0.969 309 Y HN 0.153 nan 8.280 nan 0.000 0.492 310 K N 0.380 120.845 120.400 0.108 0.000 2.207 310 K HA -0.236 4.084 4.320 -0.001 0.000 0.208 310 K C 1.552 178.225 176.600 0.122 0.000 1.046 310 K CA 1.982 58.406 56.287 0.229 0.000 0.929 310 K CB -0.817 31.785 32.500 0.170 0.000 0.720 310 K HN 0.459 nan 8.250 nan 0.000 0.463 311 D N 0.034 120.444 120.400 0.017 0.000 2.120 311 D HA 0.014 4.653 4.640 -0.001 0.000 0.202 311 D C 1.945 178.226 176.300 -0.032 0.000 0.972 311 D CA 0.616 54.620 54.000 0.006 0.000 0.837 311 D CB -0.104 40.689 40.800 -0.013 0.000 0.989 311 D HN 0.126 nan 8.370 nan 0.000 0.469 312 I N -0.027 120.452 120.570 -0.152 0.000 2.454 312 I HA -0.267 3.903 4.170 -0.001 0.000 0.254 312 I C 1.531 177.602 176.117 -0.077 0.000 1.156 312 I CA 1.028 62.203 61.300 -0.207 0.000 1.433 312 I CB -0.249 37.514 38.000 -0.396 0.000 1.082 312 I HN 0.153 nan 8.210 nan 0.000 0.432 313 Y N 0.724 121.075 120.300 0.085 0.000 2.314 313 Y HA -0.146 4.404 4.550 -0.001 0.000 0.293 313 Y C 2.547 178.539 175.900 0.152 0.000 1.129 313 Y CA 0.312 58.513 58.100 0.168 0.000 1.201 313 Y CB -0.100 38.480 38.460 0.200 0.000 0.999 313 Y HN 0.159 nan 8.280 nan 0.000 0.541 314 E N 0.687 121.031 120.200 0.239 0.000 2.049 314 E HA -0.218 4.132 4.350 -0.001 0.000 0.198 314 E C 0.460 177.132 176.600 0.121 0.000 1.007 314 E CA 1.275 57.773 56.400 0.163 0.000 0.809 314 E CB -0.314 29.448 29.700 0.104 0.000 0.749 314 E HN 0.403 nan 8.360 nan 0.000 0.450 315 N N 0.749 119.495 118.700 0.077 0.000 3.111 315 N HA 0.070 4.809 4.740 -0.001 0.000 0.302 315 N C -1.593 173.930 175.510 0.022 0.000 1.317 315 N CA 0.103 53.174 53.050 0.034 0.000 1.151 315 N CB 0.662 39.150 38.487 0.000 0.000 1.456 315 N HN -0.103 nan 8.380 nan 0.000 0.547 316 S N -1.112 114.608 115.700 0.033 0.000 2.536 316 S HA 0.460 4.930 4.470 -0.001 0.000 0.271 316 S C -0.826 173.639 174.600 -0.225 0.000 1.134 316 S CA -0.864 57.281 58.200 -0.091 0.000 0.897 316 S CB 2.123 65.307 63.200 -0.026 0.000 1.094 316 S HN 0.045 nan 8.310 nan 0.000 0.473 317 S N 1.505 116.998 115.700 -0.346 0.000 2.519 317 S HA 0.728 5.197 4.470 -0.001 0.000 0.309 317 S C -1.550 172.809 174.600 -0.402 0.000 1.100 317 S CA -0.606 57.456 58.200 -0.231 0.000 1.059 317 S CB 0.072 63.227 63.200 -0.074 0.000 1.008 317 S HN 0.451 nan 8.310 nan 0.000 0.478 318 F N 2.915 122.901 119.950 0.060 0.000 2.361 318 F HA 0.378 4.905 4.527 -0.001 0.000 0.364 318 F C 0.868 176.704 175.800 0.060 0.000 1.120 318 F CA -0.611 57.435 58.000 0.078 0.000 1.102 318 F CB 1.332 40.456 39.000 0.207 0.000 1.183 318 F HN 0.269 nan 8.300 nan 0.000 0.476 319 T N 2.907 117.551 114.554 0.151 0.000 2.794 319 T HA 0.788 5.137 4.350 -0.001 0.000 0.280 319 T C -0.500 174.264 174.700 0.107 0.000 0.987 319 T CA -0.699 61.459 62.100 0.097 0.000 0.993 319 T CB 1.491 70.380 68.868 0.035 0.000 0.939 319 T HN 0.673 nan 8.240 nan 0.000 0.449 320 A N 2.613 125.483 122.820 0.082 0.000 2.402 320 A HA 0.758 5.077 4.320 -0.001 0.000 0.291 320 A C -0.334 177.280 177.584 0.050 0.000 1.051 320 A CA -0.775 51.307 52.037 0.075 0.000 0.716 320 A CB 0.958 19.981 19.000 0.040 0.000 1.223 320 A HN 0.947 nan 8.150 nan 0.000 0.425 321 V N 0.244 120.202 119.914 0.072 0.000 3.046 321 V HA 0.946 5.065 4.120 -0.001 0.000 0.316 321 V C -0.917 175.217 176.094 0.066 0.000 1.104 321 V CA -0.791 61.543 62.300 0.057 0.000 1.006 321 V CB 1.907 33.758 31.823 0.047 0.000 1.058 321 V HN 0.770 nan 8.190 nan 0.000 0.440 322 V N 4.058 124.000 119.914 0.046 0.000 2.443 322 V HA 0.539 4.659 4.120 -0.001 0.000 0.293 322 V C -0.219 175.903 176.094 0.047 0.000 1.021 322 V CA -0.273 62.045 62.300 0.030 0.000 0.848 322 V CB 1.114 32.944 31.823 0.011 0.000 0.998 322 V HN 0.841 nan 8.190 nan 0.000 0.424 323 L N 3.548 124.805 121.223 0.057 0.000 2.313 323 L HA 0.993 5.332 4.340 -0.001 0.000 0.268 323 L C 1.192 178.085 176.870 0.038 0.000 1.010 323 L CA -0.078 54.806 54.840 0.073 0.000 0.814 323 L CB 1.713 43.846 42.059 0.124 0.000 1.304 323 L HN 0.766 nan 8.230 nan 0.000 0.441 324 G N 0.205 109.046 108.800 0.069 0.000 3.131 324 G HA2 0.203 4.163 3.960 -0.001 0.000 0.198 324 G HA3 0.203 4.163 3.960 -0.001 0.000 0.198 324 G C 0.156 175.166 174.900 0.183 0.000 1.435 324 G CA 0.043 45.180 45.100 0.062 0.000 1.016 324 G HN 1.351 nan 8.290 nan 0.000 0.499 325 G N -0.735 108.124 108.800 0.098 0.000 2.320 325 G HA2 0.535 4.495 3.960 -0.001 0.000 0.297 325 G HA3 0.535 4.495 3.960 -0.001 0.000 0.297 325 G C -0.902 173.946 174.900 -0.087 0.000 1.344 325 G CA 0.672 45.786 45.100 0.023 0.000 0.851 325 G HN 1.212 nan 8.290 nan 0.000 0.567 326 D N -0.792 119.523 120.400 -0.142 0.000 2.810 326 D HA 0.263 4.903 4.640 -0.001 0.000 0.224 326 D C 0.179 176.493 176.300 0.024 0.000 1.222 326 D CA 2.652 56.628 54.000 -0.040 0.000 0.698 326 D CB -0.744 40.027 40.800 -0.047 0.000 0.961 326 D HN 1.843 nan 8.370 nan 0.000 0.403 327 A N 1.810 124.662 122.820 0.053 0.000 2.498 327 A HA 0.289 4.609 4.320 -0.001 0.000 0.305 327 A C -0.374 177.253 177.584 0.072 0.000 1.031 327 A CA -0.889 51.181 52.037 0.054 0.000 0.998 327 A CB 1.070 20.098 19.000 0.046 0.000 1.429 327 A HN 0.025 nan 8.150 nan 0.000 0.387 328 Q N 1.866 121.704 119.800 0.064 0.000 3.113 328 Q HA -0.123 4.217 4.340 -0.001 0.000 0.355 328 Q C 0.610 176.664 176.000 0.090 0.000 1.078 328 Q CA 0.972 56.818 55.803 0.072 0.000 1.197 328 Q CB 0.143 28.915 28.738 0.057 0.000 0.954 328 Q HN 0.872 nan 8.270 nan 0.000 0.415 329 E N 1.442 121.708 120.200 0.110 0.000 2.485 329 E HA -0.204 4.145 4.350 -0.001 0.000 0.266 329 E C -0.083 176.638 176.600 0.201 0.000 1.090 329 E CA 0.141 56.629 56.400 0.147 0.000 0.987 329 E CB 0.319 30.115 29.700 0.161 0.000 0.974 329 E HN 0.622 nan 8.360 nan 0.000 0.455 330 H N -0.578 118.515 119.070 0.039 0.000 3.580 330 H HA -0.297 4.259 4.556 -0.001 0.000 0.224 330 H C -0.216 175.131 175.328 0.031 0.000 1.047 330 H CA 1.279 57.346 56.048 0.033 0.000 1.204 330 H CB -2.012 27.765 29.762 0.026 0.000 1.193 330 H HN 0.654 nan 8.280 nan 0.000 0.319 331 N N 1.311 120.069 118.700 0.098 0.000 2.307 331 N HA 0.269 5.009 4.740 -0.001 0.000 0.230 331 N C -0.022 175.510 175.510 0.036 0.000 1.297 331 N CA 0.484 53.572 53.050 0.064 0.000 0.884 331 N CB 0.911 39.428 38.487 0.050 0.000 1.115 331 N HN 0.579 nan 8.380 nan 0.000 0.436 332 K N -1.250 119.170 120.400 0.032 0.000 2.675 332 K HA 0.399 4.719 4.320 -0.001 0.000 0.280 332 K C -2.224 174.391 176.600 0.025 0.000 0.993 332 K CA -0.776 55.526 56.287 0.024 0.000 0.863 332 K CB 1.106 33.617 32.500 0.018 0.000 1.438 332 K HN 0.371 nan 8.250 nan 0.000 0.389 333 V N 1.639 121.569 119.914 0.027 0.000 2.914 333 V HA 0.728 4.848 4.120 -0.001 0.000 0.314 333 V C -1.060 175.064 176.094 0.050 0.000 1.084 333 V CA -0.813 61.504 62.300 0.029 0.000 0.963 333 V CB 1.988 33.818 31.823 0.012 0.000 1.025 333 V HN 0.521 nan 8.190 nan 0.000 0.432 334 V N 1.586 121.537 119.914 0.061 0.000 2.674 334 V HA 0.530 4.650 4.120 -0.001 0.000 0.279 334 V C -0.557 175.603 176.094 0.110 0.000 1.051 334 V CA -0.258 62.096 62.300 0.089 0.000 0.912 334 V CB 1.564 33.422 31.823 0.060 0.000 1.044 334 V HN 0.990 nan 8.190 nan 0.000 0.464 335 T N 2.865 117.527 114.554 0.180 0.000 2.909 335 T HA 0.413 4.763 4.350 -0.001 0.000 0.299 335 T C 0.613 175.531 174.700 0.363 0.000 1.073 335 T CA -0.767 61.441 62.100 0.181 0.000 0.999 335 T CB 2.868 71.786 68.868 0.082 0.000 1.098 335 T HN 0.557 nan 8.240 nan 0.000 0.477 336 K N 0.357 120.925 120.400 0.280 0.000 2.365 336 K HA 0.062 4.381 4.320 -0.001 0.000 0.197 336 K C 0.149 176.869 176.600 0.199 0.000 1.042 336 K CA 0.353 56.869 56.287 0.381 0.000 0.987 336 K CB 0.236 32.875 32.500 0.231 0.000 0.779 336 K HN 0.466 nan 8.250 nan 0.000 0.484 337 D N -0.103 120.326 120.400 0.047 0.000 2.412 337 D HA 0.024 4.664 4.640 -0.001 0.000 0.224 337 D C 0.325 176.509 176.300 -0.193 0.000 1.093 337 D CA -0.465 53.487 54.000 -0.080 0.000 0.850 337 D CB 0.439 41.214 40.800 -0.041 0.000 1.046 337 D HN -0.126 nan 8.370 nan 0.000 0.507 338 F N 2.835 122.404 119.950 -0.635 0.000 2.250 338 F HA -0.132 4.394 4.527 -0.001 0.000 0.301 338 F C 1.581 177.177 175.800 -0.340 0.000 1.077 338 F CA 1.130 58.715 58.000 -0.691 0.000 1.348 338 F CB -0.016 38.481 39.000 -0.838 0.000 1.040 338 F HN 0.437 nan 8.300 nan 0.000 0.509 339 D N 0.357 120.622 120.400 -0.225 0.000 2.172 339 D HA -0.201 4.438 4.640 -0.001 0.000 0.196 339 D C 2.155 178.300 176.300 -0.259 0.000 0.999 339 D CA 1.371 55.240 54.000 -0.218 0.000 0.856 339 D CB -0.174 40.551 40.800 -0.126 0.000 0.934 339 D HN 0.454 nan 8.370 nan 0.000 0.453 340 E N -0.223 119.841 120.200 -0.228 0.000 2.150 340 E HA -0.109 4.240 4.350 -0.001 0.000 0.193 340 E C 2.186 178.635 176.600 -0.252 0.000 0.985 340 E CA 0.361 56.651 56.400 -0.184 0.000 0.814 340 E CB 0.159 29.797 29.700 -0.104 0.000 0.752 340 E HN 0.354 nan 8.360 nan 0.000 0.466 341 I N 1.157 121.481 120.570 -0.410 0.000 2.315 341 I HA -0.202 3.968 4.170 -0.001 0.000 0.248 341 I C 2.315 178.116 176.117 -0.527 0.000 1.117 341 I CA 1.032 62.045 61.300 -0.477 0.000 1.404 341 I CB -0.840 36.706 38.000 -0.756 0.000 1.071 341 I HN 0.075 nan 8.210 nan 0.000 0.419 342 R N 1.071 121.194 120.500 -0.629 0.000 2.082 342 R HA -0.207 4.133 4.340 -0.001 0.000 0.234 342 R C 2.303 178.426 176.300 -0.296 0.000 1.136 342 R CA 1.499 57.327 56.100 -0.454 0.000 0.935 342 R CB -0.536 29.546 30.300 -0.364 0.000 0.842 342 R HN 0.251 nan 8.270 nan 0.000 0.430 343 K N 0.867 121.128 120.400 -0.232 0.000 2.127 343 K HA -0.196 4.124 4.320 -0.001 0.000 0.208 343 K C 1.996 178.503 176.600 -0.156 0.000 1.047 343 K CA 1.726 57.916 56.287 -0.163 0.000 0.927 343 K CB -0.079 32.345 32.500 -0.127 0.000 0.716 343 K HN 0.038 nan 8.250 nan 0.000 0.450 344 V N 1.694 121.501 119.914 -0.178 0.000 2.214 344 V HA -0.319 3.801 4.120 -0.001 0.000 0.245 344 V C 2.306 178.296 176.094 -0.173 0.000 1.047 344 V CA 2.147 64.357 62.300 -0.149 0.000 0.998 344 V CB -0.494 31.241 31.823 -0.147 0.000 0.633 344 V HN 0.292 nan 8.190 nan 0.000 0.446 345 I N 0.885 121.298 120.570 -0.262 0.000 2.064 345 I HA -0.419 3.750 4.170 -0.001 0.000 0.234 345 I C 2.739 178.708 176.117 -0.246 0.000 1.019 345 I CA 2.824 63.910 61.300 -0.356 0.000 1.301 345 I CB -0.925 36.705 38.000 -0.616 0.000 1.017 345 I HN 0.460 nan 8.210 nan 0.000 0.392 346 K N 0.841 121.106 120.400 -0.225 0.000 2.052 346 K HA -0.263 4.056 4.320 -0.001 0.000 0.215 346 K C 1.324 177.868 176.600 -0.094 0.000 1.053 346 K CA 2.325 58.526 56.287 -0.143 0.000 0.934 346 K CB -0.793 31.630 32.500 -0.127 0.000 0.717 346 K HN 0.319 nan 8.250 nan 0.000 0.450 347 D N 0.827 121.171 120.400 -0.092 0.000 2.400 347 D HA -0.060 4.580 4.640 -0.001 0.000 0.242 347 D C 0.304 176.581 176.300 -0.038 0.000 1.077 347 D CA 0.550 54.514 54.000 -0.060 0.000 0.943 347 D CB -0.155 40.608 40.800 -0.061 0.000 0.882 347 D HN 0.326 nan 8.370 nan 0.000 0.529 348 N N -0.609 118.069 118.700 -0.038 0.000 2.365 348 N HA 0.171 4.910 4.740 -0.001 0.000 0.257 348 N C 0.713 176.255 175.510 0.054 0.000 1.287 348 N CA -0.072 52.984 53.050 0.009 0.000 0.882 348 N CB 1.367 39.845 38.487 -0.014 0.000 1.250 348 N HN 0.026 nan 8.380 nan 0.000 0.507 349 A N -0.123 122.717 122.820 0.033 0.000 1.942 349 A HA 0.131 4.451 4.320 -0.001 0.000 0.209 349 A C 1.078 178.715 177.584 0.088 0.000 1.214 349 A CA 0.713 52.788 52.037 0.064 0.000 0.686 349 A CB -0.336 18.676 19.000 0.020 0.000 0.871 349 A HN 0.110 nan 8.150 nan 0.000 0.460 350 T N 1.385 115.958 114.554 0.033 0.000 2.908 350 T HA 0.304 4.654 4.350 -0.001 0.000 0.301 350 T C -0.550 174.133 174.700 -0.028 0.000 1.019 350 T CA 0.545 62.639 62.100 -0.009 0.000 1.152 350 T CB -0.096 68.747 68.868 -0.042 0.000 0.966 350 T HN 0.394 nan 8.240 nan 0.000 0.540 351 F N 3.090 122.851 119.950 -0.316 0.000 2.434 351 F HA 0.558 5.084 4.527 -0.001 0.000 0.355 351 F C -0.114 175.382 175.800 -0.506 0.000 1.115 351 F CA -1.474 56.085 58.000 -0.735 0.000 1.010 351 F CB 0.983 39.313 39.000 -1.117 0.000 1.234 351 F HN 0.445 nan 8.300 nan 0.000 0.439 352 S N 3.419 118.820 115.700 -0.500 0.000 2.510 352 S HA 0.166 4.636 4.470 -0.001 0.000 0.279 352 S C 1.438 175.706 174.600 -0.553 0.000 1.284 352 S CA 0.324 58.255 58.200 -0.449 0.000 1.059 352 S CB 0.448 63.538 63.200 -0.184 0.000 0.901 352 S HN 0.915 nan 8.310 nan 0.000 0.491 353 T N 3.127 117.302 114.554 -0.630 0.000 3.035 353 T HA 0.068 4.418 4.350 -0.001 0.000 0.268 353 T C 1.396 176.002 174.700 -0.157 0.000 1.109 353 T CA 0.398 62.232 62.100 -0.444 0.000 1.119 353 T CB -0.036 68.606 68.868 -0.376 0.000 0.900 353 T HN 0.502 nan 8.240 nan 0.000 0.503 354 K N 1.518 121.829 120.400 -0.148 0.000 2.044 354 K HA 0.198 4.518 4.320 -0.001 0.000 0.204 354 K C 0.517 177.106 176.600 -0.019 0.000 1.045 354 K CA 0.428 56.664 56.287 -0.085 0.000 0.951 354 K CB -0.718 31.723 32.500 -0.099 0.000 0.738 354 K HN 0.389 nan 8.250 nan 0.000 0.443 355 N N 3.070 121.763 118.700 -0.011 0.000 2.518 355 N HA 0.071 4.811 4.740 -0.001 0.000 0.266 355 N C -2.488 173.061 175.510 0.066 0.000 1.196 355 N CA -1.031 52.034 53.050 0.024 0.000 0.947 355 N CB -0.046 38.446 38.487 0.008 0.000 1.098 355 N HN 0.095 nan 8.380 nan 0.000 0.450 356 P HA 0.044 nan 4.420 nan 0.000 0.262 356 P C -1.291 176.014 177.300 0.009 0.000 1.182 356 P CA -0.152 63.032 63.100 0.139 0.000 0.761 356 P CB 0.452 32.334 31.700 0.303 0.000 0.795 357 A N 4.542 127.479 122.820 0.195 0.000 2.276 357 A HA 0.512 4.832 4.320 -0.001 0.000 0.316 357 A C -0.529 177.268 177.584 0.354 0.000 1.229 357 A CA -0.756 51.404 52.037 0.204 0.000 0.851 357 A CB 0.312 19.538 19.000 0.376 0.000 1.165 357 A HN 0.540 nan 8.150 nan 0.000 0.513 358 Y N 2.959 123.365 120.300 0.175 0.000 2.376 358 Y HA 0.398 4.947 4.550 -0.001 0.000 0.325 358 Y C -1.731 174.230 175.900 0.102 0.000 1.199 358 Y CA -2.751 55.461 58.100 0.187 0.000 1.206 358 Y CB 1.475 39.991 38.460 0.094 0.000 1.229 358 Y HN 0.509 nan 8.280 nan 0.000 0.480 359 P HA 0.040 nan 4.420 nan 0.000 0.271 359 P C 0.037 177.222 177.300 -0.190 0.000 1.216 359 P CA 0.489 63.396 63.100 -0.321 0.000 0.771 359 P CB 1.075 32.648 31.700 -0.212 0.000 0.864 360 I N -0.936 119.473 120.570 -0.269 0.000 4.983 360 I HA 0.335 4.505 4.170 -0.001 0.000 0.346 360 I C 0.080 176.126 176.117 -0.118 0.000 1.261 360 I CA -0.190 61.019 61.300 -0.150 0.000 1.406 360 I CB 0.751 38.654 38.000 -0.162 0.000 1.529 360 I HN 0.205 nan 8.210 nan 0.000 0.524 361 S N 0.610 116.216 115.700 -0.157 0.000 2.556 361 S HA 0.759 5.228 4.470 -0.001 0.000 0.271 361 S C -1.576 173.014 174.600 -0.017 0.000 1.135 361 S CA -0.405 57.740 58.200 -0.091 0.000 0.858 361 S CB 1.809 64.925 63.200 -0.140 0.000 1.114 361 S HN 0.401 nan 8.310 nan 0.000 0.468 362 Y N -0.382 119.824 120.300 -0.156 0.000 2.677 362 Y HA 0.719 5.269 4.550 -0.001 0.000 0.334 362 Y C -1.148 174.688 175.900 -0.108 0.000 1.196 362 Y CA -0.706 57.313 58.100 -0.136 0.000 1.059 362 Y CB 1.154 39.530 38.460 -0.139 0.000 1.315 362 Y HN 0.612 nan 8.280 nan 0.000 0.455 363 T N 0.354 114.827 114.554 -0.135 0.000 2.965 363 T HA 0.578 4.928 4.350 -0.001 0.000 0.306 363 T C -0.485 174.195 174.700 -0.032 0.000 0.991 363 T CA -0.183 61.779 62.100 -0.231 0.000 1.001 363 T CB 0.692 69.470 68.868 -0.151 0.000 0.984 363 T HN 1.204 nan 8.240 nan 0.000 0.446 364 S N 2.464 118.134 115.700 -0.049 0.000 2.686 364 S HA 0.879 5.349 4.470 -0.001 0.000 0.270 364 S C -0.296 174.224 174.600 -0.133 0.000 1.194 364 S CA -0.693 57.499 58.200 -0.013 0.000 0.990 364 S CB 1.091 64.306 63.200 0.025 0.000 1.029 364 S HN 0.869 nan 8.310 nan 0.000 0.560 365 V N 0.817 120.644 119.914 -0.144 0.000 2.888 365 V HA 0.409 4.528 4.120 -0.001 0.000 0.309 365 V C -1.210 174.797 176.094 -0.146 0.000 1.114 365 V CA -0.856 61.355 62.300 -0.149 0.000 0.940 365 V CB 1.624 33.447 31.823 0.001 0.000 1.021 365 V HN 0.868 nan 8.190 nan 0.000 0.426 366 F N 3.420 123.427 119.950 0.094 0.000 2.543 366 F HA 0.234 4.761 4.527 -0.001 0.000 0.375 366 F C 1.456 177.334 175.800 0.129 0.000 1.075 366 F CA 0.029 58.111 58.000 0.136 0.000 1.225 366 F CB 0.197 39.336 39.000 0.233 0.000 1.099 366 F HN 0.376 nan 8.300 nan 0.000 0.561 367 L N 2.745 124.140 121.223 0.286 0.000 1.976 367 L HA -0.226 4.113 4.340 -0.001 0.000 0.209 367 L C 2.626 179.631 176.870 0.224 0.000 1.071 367 L CA 1.561 56.536 54.840 0.226 0.000 0.746 367 L CB -0.435 41.766 42.059 0.238 0.000 0.890 367 L HN 0.702 nan 8.230 nan 0.000 0.432 368 K N 0.535 121.086 120.400 0.251 0.000 1.988 368 K HA -0.300 4.019 4.320 -0.001 0.000 0.231 368 K C 1.463 178.138 176.600 0.125 0.000 1.044 368 K CA 2.576 58.968 56.287 0.176 0.000 1.013 368 K CB -0.402 32.221 32.500 0.205 0.000 0.736 368 K HN 0.498 nan 8.250 nan 0.000 0.446 369 D N -0.612 119.867 120.400 0.132 0.000 2.340 369 D HA -0.103 4.536 4.640 -0.001 0.000 0.220 369 D C 0.161 176.538 176.300 0.128 0.000 1.039 369 D CA 0.169 54.215 54.000 0.077 0.000 0.866 369 D CB -0.505 40.289 40.800 -0.010 0.000 0.913 369 D HN 0.437 nan 8.370 nan 0.000 0.523 370 N N 0.377 119.189 118.700 0.186 0.000 2.661 370 N HA -0.201 4.538 4.740 -0.001 0.000 0.249 370 N C -0.629 174.988 175.510 0.177 0.000 1.142 370 N CA 0.961 54.111 53.050 0.167 0.000 0.727 370 N CB -0.981 37.571 38.487 0.109 0.000 1.099 370 N HN 0.545 nan 8.380 nan 0.000 0.558 371 S N -1.245 114.612 115.700 0.261 0.000 2.610 371 S HA 0.493 4.963 4.470 -0.001 0.000 0.273 371 S C 0.664 175.464 174.600 0.333 0.000 1.274 371 S CA -0.793 57.561 58.200 0.256 0.000 1.023 371 S CB 2.389 65.717 63.200 0.214 0.000 0.962 371 S HN 0.075 nan 8.310 nan 0.000 0.523 372 V N 2.292 122.324 119.914 0.196 0.000 2.540 372 V HA 0.339 4.459 4.120 -0.001 0.000 0.297 372 V C 0.989 177.185 176.094 0.171 0.000 1.024 372 V CA 0.094 62.460 62.300 0.110 0.000 1.105 372 V CB -0.408 31.447 31.823 0.053 0.000 0.938 372 V HN 1.080 nan 8.190 nan 0.000 0.482 373 A N 5.107 127.859 122.820 -0.113 0.000 2.354 373 A HA 0.728 5.047 4.320 -0.001 0.000 0.281 373 A C 0.371 177.900 177.584 -0.092 0.000 1.174 373 A CA 0.159 52.023 52.037 -0.289 0.000 0.828 373 A CB 0.249 18.684 19.000 -0.942 0.000 1.099 373 A HN 1.312 nan 8.150 nan 0.000 0.516 374 A N 2.666 125.516 122.820 0.049 0.000 2.374 374 A HA 0.710 5.030 4.320 -0.001 0.000 0.317 374 A C -0.277 177.237 177.584 -0.117 0.000 1.094 374 A CA -0.523 51.468 52.037 -0.077 0.000 0.765 374 A CB 1.123 20.059 19.000 -0.107 0.000 1.268 374 A HN 1.040 nan 8.150 nan 0.000 0.438 375 V N 1.759 121.568 119.914 -0.175 0.000 2.743 375 V HA 0.317 4.437 4.120 -0.001 0.000 0.301 375 V C -0.043 175.890 176.094 -0.268 0.000 1.057 375 V CA -0.511 61.709 62.300 -0.134 0.000 1.006 375 V CB 1.162 32.930 31.823 -0.092 0.000 1.024 375 V HN 0.842 nan 8.190 nan 0.000 0.473 376 H N 2.690 121.773 119.070 0.021 0.000 2.486 376 H HA 0.325 4.880 4.556 -0.001 0.000 0.239 376 H C -0.555 174.780 175.328 0.013 0.000 1.480 376 H CA -0.506 55.555 56.048 0.021 0.000 1.324 376 H CB 0.401 30.181 29.762 0.031 0.000 1.486 376 H HN 0.687 nan 8.280 nan 0.000 0.544 377 N N 2.480 121.215 118.700 0.057 0.000 2.442 377 N HA 0.173 4.912 4.740 -0.001 0.000 0.265 377 N C -0.335 175.215 175.510 0.066 0.000 1.138 377 N CA 0.104 53.180 53.050 0.043 0.000 0.956 377 N CB 1.314 39.804 38.487 0.005 0.000 1.067 377 N HN 0.346 nan 8.380 nan 0.000 0.474 378 K N 1.261 121.703 120.400 0.068 0.000 2.535 378 K HA 0.611 4.930 4.320 -0.001 0.000 0.250 378 K C -1.345 175.295 176.600 0.066 0.000 0.948 378 K CA -0.611 55.719 56.287 0.072 0.000 0.796 378 K CB 2.038 34.581 32.500 0.071 0.000 1.216 378 K HN 0.507 nan 8.250 nan 0.000 0.432 379 T N 1.576 116.182 114.554 0.087 0.000 2.893 379 T HA 0.245 4.595 4.350 -0.001 0.000 0.337 379 T C -2.056 172.734 174.700 0.149 0.000 1.587 379 T CA -0.775 61.386 62.100 0.100 0.000 1.066 379 T CB 1.179 70.103 68.868 0.093 0.000 1.414 379 T HN 0.433 nan 8.240 nan 0.000 0.488 380 D N 2.444 122.917 120.400 0.122 0.000 2.168 380 D HA 0.664 5.303 4.640 -0.001 0.000 0.246 380 D C -0.695 175.711 176.300 0.177 0.000 1.050 380 D CA 0.280 54.338 54.000 0.097 0.000 0.857 380 D CB 0.890 41.711 40.800 0.035 0.000 1.169 380 D HN 0.585 nan 8.370 nan 0.000 0.453 381 Y N -1.027 119.320 120.300 0.078 0.000 2.625 381 Y HA 0.620 5.169 4.550 -0.001 0.000 0.338 381 Y C -1.380 174.574 175.900 0.091 0.000 1.123 381 Y CA -1.383 56.772 58.100 0.092 0.000 1.046 381 Y CB 0.749 39.275 38.460 0.110 0.000 1.299 381 Y HN 0.202 nan 8.280 nan 0.000 0.464 382 I N 2.193 122.852 120.570 0.149 0.000 2.396 382 I HA 0.243 4.412 4.170 -0.001 0.000 0.292 382 I C -0.192 175.825 176.117 -0.168 0.000 0.999 382 I CA -0.535 60.732 61.300 -0.054 0.000 1.310 382 I CB 1.572 39.554 38.000 -0.030 0.000 1.404 382 I HN 0.738 nan 8.210 nan 0.000 0.496 383 E N 5.727 125.706 120.200 -0.368 0.000 2.028 383 E HA 0.197 4.547 4.350 -0.001 0.000 0.266 383 E C -0.773 175.429 176.600 -0.664 0.000 0.962 383 E CA -0.537 55.498 56.400 -0.608 0.000 0.784 383 E CB 0.678 30.256 29.700 -0.203 0.000 1.114 383 E HN 0.558 nan 8.360 nan 0.000 0.414 384 T N 3.294 117.303 114.554 -0.910 0.000 2.928 384 T HA 0.140 4.490 4.350 -0.001 0.000 0.305 384 T C -0.093 174.420 174.700 -0.312 0.000 1.035 384 T CA 0.218 62.029 62.100 -0.481 0.000 1.145 384 T CB 0.834 69.502 68.868 -0.333 0.000 0.963 384 T HN 0.583 nan 8.240 nan 0.000 0.545 385 T N -0.235 114.187 114.554 -0.221 0.000 2.933 385 T HA 0.758 5.107 4.350 -0.001 0.000 0.305 385 T C -0.669 173.940 174.700 -0.150 0.000 1.092 385 T CA -1.005 61.007 62.100 -0.147 0.000 1.008 385 T CB 1.796 70.584 68.868 -0.134 0.000 1.102 385 T HN 0.661 nan 8.240 nan 0.000 0.469 386 S N 0.937 116.559 115.700 -0.129 0.000 2.656 386 S HA 0.919 5.389 4.470 -0.001 0.000 0.273 386 S C -1.185 173.329 174.600 -0.144 0.000 1.168 386 S CA -0.953 57.161 58.200 -0.144 0.000 0.817 386 S CB 1.818 64.930 63.200 -0.146 0.000 1.146 386 S HN 1.023 nan 8.310 nan 0.000 0.475 387 T N 0.780 115.234 114.554 -0.167 0.000 2.932 387 T HA 0.547 4.897 4.350 -0.001 0.000 0.318 387 T C -1.727 172.780 174.700 -0.323 0.000 1.265 387 T CA -0.851 61.105 62.100 -0.240 0.000 1.036 387 T CB 1.789 70.514 68.868 -0.238 0.000 1.209 387 T HN 0.715 nan 8.240 nan 0.000 0.484 388 E N 0.728 120.679 120.200 -0.414 0.000 2.195 388 E HA 0.532 4.881 4.350 -0.001 0.000 0.271 388 E C -1.426 174.852 176.600 -0.536 0.000 0.923 388 E CA -0.868 55.333 56.400 -0.332 0.000 0.790 388 E CB 1.881 31.477 29.700 -0.174 0.000 1.155 388 E HN 0.538 nan 8.360 nan 0.000 0.402 389 Y N 0.427 120.757 120.300 0.050 0.000 2.341 389 Y HA 0.262 4.811 4.550 -0.001 0.000 0.338 389 Y C 0.251 176.202 175.900 0.086 0.000 0.965 389 Y CA -0.766 57.394 58.100 0.100 0.000 1.108 389 Y CB 2.169 40.763 38.460 0.223 0.000 1.180 389 Y HN 0.331 nan 8.280 nan 0.000 0.458 390 S N 3.914 119.703 115.700 0.148 0.000 2.457 390 S HA 0.365 4.835 4.470 -0.001 0.000 0.289 390 S C -0.212 174.436 174.600 0.080 0.000 1.163 390 S CA -0.838 57.414 58.200 0.087 0.000 1.078 390 S CB 0.210 63.430 63.200 0.033 0.000 0.987 390 S HN 0.629 nan 8.310 nan 0.000 0.482 391 K N 2.195 122.629 120.400 0.057 0.000 2.285 391 K HA 0.431 4.750 4.320 -0.001 0.000 0.255 391 K C 0.523 177.113 176.600 -0.016 0.000 1.000 391 K CA 0.324 56.621 56.287 0.016 0.000 0.887 391 K CB 0.247 32.752 32.500 0.007 0.000 0.997 391 K HN 0.760 nan 8.250 nan 0.000 0.510 392 G N 0.230 108.997 108.800 -0.056 0.000 2.646 392 G HA2 0.444 4.403 3.960 -0.001 0.000 0.291 392 G HA3 0.444 4.403 3.960 -0.001 0.000 0.291 392 G C -1.877 172.948 174.900 -0.124 0.000 1.445 392 G CA -0.840 44.214 45.100 -0.077 0.000 0.814 392 G HN 0.551 nan 8.290 nan 0.000 0.495 393 K N -0.683 119.643 120.400 -0.123 0.000 2.508 393 K HA 0.774 5.093 4.320 -0.001 0.000 0.260 393 K C -1.283 175.218 176.600 -0.164 0.000 0.949 393 K CA -1.026 55.163 56.287 -0.163 0.000 0.834 393 K CB 2.499 34.921 32.500 -0.130 0.000 1.365 393 K HN 0.418 nan 8.250 nan 0.000 0.437 394 I N 1.854 122.288 120.570 -0.226 0.000 2.404 394 I HA 0.281 4.451 4.170 -0.001 0.000 0.293 394 I C -1.188 174.788 176.117 -0.235 0.000 0.992 394 I CA -1.163 60.009 61.300 -0.212 0.000 1.149 394 I CB 1.627 39.468 38.000 -0.265 0.000 1.315 394 I HN 0.589 nan 8.210 nan 0.000 0.446 395 N N 7.238 125.837 118.700 -0.169 0.000 2.372 395 N HA 0.638 5.377 4.740 -0.001 0.000 0.291 395 N C -1.165 174.249 175.510 -0.159 0.000 1.024 395 N CA -0.565 52.381 53.050 -0.175 0.000 0.873 395 N CB 1.858 40.275 38.487 -0.116 0.000 1.206 395 N HN 0.455 nan 8.380 nan 0.000 0.486 396 L N 1.012 122.100 121.223 -0.225 0.000 2.313 396 L HA 0.445 4.785 4.340 -0.001 0.000 0.283 396 L C -0.565 176.244 176.870 -0.102 0.000 1.013 396 L CA -0.744 53.989 54.840 -0.178 0.000 0.816 396 L CB 1.400 43.194 42.059 -0.443 0.000 1.236 396 L HN 0.488 nan 8.230 nan 0.000 0.419 397 D N 1.220 121.638 120.400 0.031 0.000 2.461 397 D HA 0.118 4.758 4.640 -0.001 0.000 0.240 397 D C -0.257 176.147 176.300 0.173 0.000 1.094 397 D CA -0.341 53.659 54.000 0.001 0.000 0.868 397 D CB 0.662 41.456 40.800 -0.010 0.000 1.062 397 D HN 0.374 nan 8.370 nan 0.000 0.530 398 H N 2.122 121.221 119.070 0.049 0.000 2.595 398 H HA 0.223 4.778 4.556 -0.001 0.000 0.264 398 H C 0.052 175.407 175.328 0.045 0.000 1.503 398 H CA -0.381 55.771 56.048 0.173 0.000 1.142 398 H CB -0.342 29.617 29.762 0.328 0.000 1.554 398 H HN 0.100 nan 8.280 nan 0.000 0.501 399 S N -0.121 115.557 115.700 -0.036 0.000 3.544 399 S HA 0.252 4.721 4.470 -0.001 0.000 0.227 399 S C 0.850 175.358 174.600 -0.153 0.000 1.387 399 S CA -0.262 57.912 58.200 -0.044 0.000 1.182 399 S CB -0.391 62.865 63.200 0.094 0.000 1.243 399 S HN 0.545 nan 8.310 nan 0.000 0.467 400 G N -0.008 108.446 108.800 -0.577 0.000 2.371 400 G HA2 0.604 4.564 3.960 -0.001 0.000 0.326 400 G HA3 0.604 4.564 3.960 -0.001 0.000 0.326 400 G C 0.332 174.623 174.900 -1.015 0.000 1.127 400 G CA -0.851 43.666 45.100 -0.971 0.000 0.885 400 G HN 0.614 nan 8.290 nan 0.000 0.477 401 A N 1.616 123.919 122.820 -0.862 0.000 2.543 401 A HA 0.574 4.894 4.320 -0.001 0.000 0.258 401 A C -0.095 177.322 177.584 -0.278 0.000 1.391 401 A CA -0.040 51.765 52.037 -0.387 0.000 1.066 401 A CB -1.106 17.830 19.000 -0.106 0.000 0.972 401 A HN 1.054 nan 8.150 nan 0.000 0.560 402 Y N -5.522 114.768 120.300 -0.017 0.000 2.871 402 Y HA 0.602 5.152 4.550 -0.001 0.000 0.331 402 Y C -0.847 175.124 175.900 0.119 0.000 1.378 402 Y CA -1.976 56.138 58.100 0.024 0.000 1.079 402 Y CB 0.309 38.773 38.460 0.007 0.000 1.441 402 Y HN -0.156 nan 8.280 nan 0.000 0.446 403 V N 1.190 121.326 119.914 0.370 0.000 2.612 403 V HA 0.933 5.053 4.120 -0.001 0.000 0.301 403 V C -0.005 176.205 176.094 0.192 0.000 1.046 403 V CA 0.005 62.472 62.300 0.278 0.000 0.946 403 V CB 0.856 32.716 31.823 0.060 0.000 1.003 403 V HN 1.186 nan 8.190 nan 0.000 0.459 404 A N 3.813 126.644 122.820 0.020 0.000 2.587 404 A HA 0.837 5.156 4.320 -0.001 0.000 0.293 404 A C -1.250 176.248 177.584 -0.142 0.000 1.087 404 A CA -0.762 51.179 52.037 -0.160 0.000 0.692 404 A CB 1.956 20.831 19.000 -0.208 0.000 1.291 404 A HN 0.740 nan 8.150 nan 0.000 0.407 405 Q N 0.200 119.967 119.800 -0.055 0.000 2.375 405 Q HA 0.675 5.014 4.340 -0.001 0.000 0.271 405 Q C -1.594 174.497 176.000 0.151 0.000 1.074 405 Q CA -0.453 55.439 55.803 0.149 0.000 0.808 405 Q CB 2.315 31.181 28.738 0.214 0.000 1.327 405 Q HN 0.600 nan 8.270 nan 0.000 0.441 406 F N 0.597 120.662 119.950 0.191 0.000 2.518 406 F HA 0.443 4.969 4.527 -0.001 0.000 0.338 406 F C 0.340 176.261 175.800 0.202 0.000 1.065 406 F CA -0.830 57.340 58.000 0.283 0.000 1.012 406 F CB 1.166 40.370 39.000 0.340 0.000 1.297 406 F HN 0.445 nan 8.300 nan 0.000 0.489 407 E N 1.181 121.665 120.200 0.473 0.000 2.759 407 E HA 0.351 4.700 4.350 -0.001 0.000 0.318 407 E C -2.218 174.606 176.600 0.373 0.000 1.093 407 E CA -0.080 56.502 56.400 0.303 0.000 0.762 407 E CB 1.216 31.173 29.700 0.428 0.000 1.543 407 E HN 0.394 nan 8.360 nan 0.000 0.381 408 V N 2.318 122.473 119.914 0.402 0.000 2.350 408 V HA 0.770 4.890 4.120 -0.001 0.000 0.276 408 V C 0.084 176.475 176.094 0.495 0.000 1.028 408 V CA -0.311 62.236 62.300 0.410 0.000 0.860 408 V CB 1.020 33.028 31.823 0.307 0.000 0.990 408 V HN 0.629 nan 8.190 nan 0.000 0.453 409 A N 5.446 128.562 122.820 0.494 0.000 2.449 409 A HA 0.989 5.309 4.320 -0.001 0.000 0.302 409 A C -1.146 176.768 177.584 0.549 0.000 1.048 409 A CA -0.661 51.620 52.037 0.407 0.000 0.708 409 A CB 1.554 20.763 19.000 0.349 0.000 1.274 409 A HN 1.143 nan 8.150 nan 0.000 0.410 410 W N 0.427 121.740 121.300 0.021 0.000 3.069 410 W HA 0.816 5.476 4.660 -0.000 0.000 0.390 410 W C -1.844 174.684 176.519 0.017 0.000 1.130 410 W CA -0.671 56.701 57.345 0.045 0.000 1.138 410 W CB 0.799 30.258 29.460 -0.001 0.000 1.497 410 W HN 0.437 nan 8.180 nan 0.000 0.600 411 D N 0.839 121.278 120.400 0.065 0.000 2.780 411 D HA 0.266 4.905 4.640 -0.001 0.000 0.242 411 D C -1.171 175.129 176.300 0.001 0.000 1.135 411 D CA -0.641 53.325 54.000 -0.055 0.000 0.859 411 D CB 2.239 43.059 40.800 0.034 0.000 1.530 411 D HN 0.357 nan 8.370 nan 0.000 0.493 412 E N 0.539 120.680 120.200 -0.099 0.000 2.216 412 E HA 0.407 4.756 4.350 -0.001 0.000 0.279 412 E C -0.677 175.836 176.600 -0.145 0.000 0.997 412 E CA -0.840 55.510 56.400 -0.083 0.000 0.817 412 E CB 2.835 32.475 29.700 -0.099 0.000 1.096 412 E HN 0.107 nan 8.360 nan 0.000 0.393 413 V N 2.678 122.472 119.914 -0.201 0.000 2.532 413 V HA 0.557 4.677 4.120 -0.001 0.000 0.295 413 V C -0.693 175.246 176.094 -0.258 0.000 1.041 413 V CA -0.035 62.124 62.300 -0.235 0.000 0.926 413 V CB 1.474 33.190 31.823 -0.178 0.000 0.992 413 V HN 0.820 nan 8.190 nan 0.000 0.457 414 S N 5.086 120.575 115.700 -0.351 0.000 2.607 414 S HA 0.753 5.223 4.470 -0.001 0.000 0.273 414 S C -1.636 172.649 174.600 -0.525 0.000 1.148 414 S CA -0.723 57.345 58.200 -0.220 0.000 0.833 414 S CB 1.623 64.769 63.200 -0.091 0.000 1.130 414 S HN 0.623 nan 8.310 nan 0.000 0.470 415 Y N 1.158 121.509 120.300 0.084 0.000 2.376 415 Y HA 0.458 5.008 4.550 -0.001 0.000 0.340 415 Y C 0.159 176.082 175.900 0.039 0.000 0.965 415 Y CA -0.938 57.194 58.100 0.054 0.000 1.078 415 Y CB 1.103 39.592 38.460 0.049 0.000 1.193 415 Y HN 0.842 nan 8.280 nan 0.000 0.452 416 D N 1.027 121.499 120.400 0.121 0.000 2.393 416 D HA 0.067 4.707 4.640 -0.001 0.000 0.246 416 D C 0.382 176.741 176.300 0.099 0.000 1.275 416 D CA -0.435 53.614 54.000 0.082 0.000 0.979 416 D CB 0.782 41.611 40.800 0.048 0.000 1.101 416 D HN 0.507 nan 8.370 nan 0.000 0.505 417 K N -0.760 119.682 120.400 0.070 0.000 2.442 417 K HA -0.070 4.249 4.320 -0.001 0.000 0.198 417 K C 1.015 177.658 176.600 0.071 0.000 1.042 417 K CA 0.774 57.101 56.287 0.066 0.000 0.958 417 K CB 0.048 32.576 32.500 0.047 0.000 0.766 417 K HN 0.374 nan 8.250 nan 0.000 0.474 418 E N -0.404 119.839 120.200 0.072 0.000 2.474 418 E HA 0.032 4.381 4.350 -0.001 0.000 0.194 418 E C 1.138 177.790 176.600 0.087 0.000 1.041 418 E CA 0.555 56.998 56.400 0.071 0.000 0.874 418 E CB 0.579 30.311 29.700 0.055 0.000 0.914 418 E HN 0.415 nan 8.360 nan 0.000 0.498 419 G N 1.947 110.814 108.800 0.112 0.000 2.132 419 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.234 419 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.234 419 G C 0.007 175.026 174.900 0.198 0.000 0.989 419 G CA -0.086 45.091 45.100 0.128 0.000 0.676 419 G HN 0.165 nan 8.290 nan 0.000 0.522 420 N N 0.763 119.568 118.700 0.175 0.000 2.508 420 N HA 0.340 5.080 4.740 -0.001 0.000 0.285 420 N C 0.216 175.786 175.510 0.099 0.000 1.144 420 N CA -0.343 52.791 53.050 0.138 0.000 0.978 420 N CB 0.954 39.479 38.487 0.062 0.000 1.180 420 N HN 0.479 nan 8.380 nan 0.000 0.484 421 E N 0.309 120.521 120.200 0.020 0.000 2.390 421 E HA 0.260 4.609 4.350 -0.001 0.000 0.261 421 E C -0.617 175.873 176.600 -0.183 0.000 1.076 421 E CA -0.193 56.066 56.400 -0.235 0.000 0.905 421 E CB 1.022 30.645 29.700 -0.128 0.000 0.984 421 E HN 0.190 nan 8.360 nan 0.000 0.427 422 V N 3.673 123.434 119.914 -0.255 0.000 2.445 422 V HA 0.154 4.273 4.120 -0.001 0.000 0.283 422 V C -0.383 175.619 176.094 -0.153 0.000 1.014 422 V CA -0.560 61.647 62.300 -0.154 0.000 0.852 422 V CB 0.780 32.526 31.823 -0.127 0.000 1.021 422 V HN 0.532 nan 8.190 nan 0.000 0.435 423 L N 3.643 124.801 121.223 -0.109 0.000 2.363 423 L HA 0.300 4.640 4.340 -0.001 0.000 0.286 423 L C 0.655 177.482 176.870 -0.072 0.000 1.106 423 L CA 0.338 55.125 54.840 -0.088 0.000 0.859 423 L CB 0.777 42.801 42.059 -0.057 0.000 1.223 423 L HN 0.573 nan 8.230 nan 0.000 0.446 424 T N 1.830 116.327 114.554 -0.094 0.000 2.723 424 T HA 0.092 4.442 4.350 -0.001 0.000 0.297 424 T C -0.113 174.509 174.700 -0.130 0.000 0.925 424 T CA -0.169 61.870 62.100 -0.102 0.000 1.030 424 T CB -0.141 68.653 68.868 -0.123 0.000 0.905 424 T HN 0.324 nan 8.240 nan 0.000 0.502 425 H N 3.935 122.890 119.070 -0.192 0.000 2.722 425 H HA 0.429 4.985 4.556 -0.001 0.000 0.328 425 H C -0.051 175.062 175.328 -0.358 0.000 1.067 425 H CA 0.206 56.101 56.048 -0.255 0.000 1.447 425 H CB 0.370 30.025 29.762 -0.179 0.000 1.469 425 H HN 0.435 nan 8.280 nan 0.000 0.544 426 K N 3.229 122.857 120.400 -1.285 0.000 2.464 426 K HA 0.374 4.694 4.320 -0.001 0.000 0.253 426 K C -1.030 174.661 176.600 -1.515 0.000 0.933 426 K CA -0.965 54.596 56.287 -1.210 0.000 0.801 426 K CB 2.138 33.997 32.500 -1.069 0.000 1.271 426 K HN 0.795 nan 8.250 nan 0.000 0.430 427 T N -2.362 111.675 114.554 -0.863 0.000 2.916 427 T HA 0.385 4.734 4.350 -0.001 0.000 0.292 427 T C -1.075 173.604 174.700 -0.036 0.000 1.055 427 T CA -0.842 60.995 62.100 -0.439 0.000 1.009 427 T CB 1.006 69.741 68.868 -0.222 0.000 1.118 427 T HN 0.586 nan 8.240 nan 0.000 0.497 428 W N 2.467 123.805 121.300 0.064 0.000 2.303 428 W HA 0.309 4.969 4.660 -0.000 0.000 0.318 428 W C 0.370 176.866 176.519 -0.038 0.000 1.362 428 W CA -0.723 56.690 57.345 0.112 0.000 1.234 428 W CB -0.003 29.546 29.460 0.149 0.000 1.248 428 W HN 0.763 nan 8.180 nan 0.000 0.546 429 D N 3.179 123.375 120.400 -0.340 0.000 2.351 429 D HA -0.109 4.531 4.640 -0.001 0.000 0.216 429 D C 1.938 177.773 176.300 -0.776 0.000 0.968 429 D CA 1.396 55.126 54.000 -0.450 0.000 0.899 429 D CB -0.205 40.427 40.800 -0.280 0.000 0.907 429 D HN 0.683 nan 8.370 nan 0.000 0.514 430 G N 0.203 108.025 108.800 -1.629 0.000 2.985 430 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.209 430 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.209 430 G C 0.746 175.078 174.900 -0.947 0.000 1.165 430 G CA -0.335 43.743 45.100 -1.704 0.000 0.776 430 G HN 0.089 nan 8.290 nan 0.000 0.541 431 N N 0.950 119.259 118.700 -0.652 0.000 2.412 431 N HA 0.020 4.760 4.740 -0.001 0.000 0.254 431 N C -0.223 174.922 175.510 -0.608 0.000 1.232 431 N CA 0.257 52.959 53.050 -0.580 0.000 0.880 431 N CB -0.196 37.765 38.487 -0.876 0.000 1.076 431 N HN 0.464 nan 8.380 nan 0.000 0.458 432 Y N -1.119 118.972 120.300 -0.349 0.000 3.004 432 Y HA -0.295 4.254 4.550 -0.001 0.000 0.160 432 Y C -0.028 175.753 175.900 -0.199 0.000 1.739 432 Y CA -0.142 57.723 58.100 -0.391 0.000 0.959 432 Y CB -1.936 36.267 38.460 -0.427 0.000 1.460 432 Y HN 0.506 nan 8.280 nan 0.000 0.385 433 Q N 0.472 120.267 119.800 -0.009 0.000 2.313 433 Q HA 0.226 4.565 4.340 -0.001 0.000 0.260 433 Q C -1.069 174.914 176.000 -0.028 0.000 0.972 433 Q CA -1.041 54.737 55.803 -0.042 0.000 0.886 433 Q CB 1.779 30.427 28.738 -0.149 0.000 1.373 433 Q HN 0.256 nan 8.270 nan 0.000 0.416 434 D N 2.825 123.213 120.400 -0.020 0.000 2.548 434 D HA 0.014 4.653 4.640 -0.001 0.000 0.231 434 D C -0.503 175.744 176.300 -0.088 0.000 1.142 434 D CA 0.942 54.920 54.000 -0.037 0.000 0.866 434 D CB 0.594 41.383 40.800 -0.019 0.000 1.190 434 D HN -0.025 nan 8.370 nan 0.000 0.469 435 K N 1.436 121.790 120.400 -0.076 0.000 2.507 435 K HA 0.375 4.695 4.320 -0.001 0.000 0.251 435 K C -0.282 176.403 176.600 0.142 0.000 0.943 435 K CA -0.696 55.520 56.287 -0.117 0.000 0.794 435 K CB 1.665 34.032 32.500 -0.222 0.000 1.188 435 K HN 0.575 nan 8.250 nan 0.000 0.428 436 T N -2.030 112.675 114.554 0.251 0.000 2.910 436 T HA 0.613 4.963 4.350 -0.001 0.000 0.279 436 T C 0.332 175.203 174.700 0.285 0.000 0.989 436 T CA -0.780 61.502 62.100 0.302 0.000 0.968 436 T CB 1.007 69.960 68.868 0.142 0.000 1.135 436 T HN 0.517 nan 8.240 nan 0.000 0.562 437 A N 2.132 124.967 122.820 0.024 0.000 2.494 437 A HA 0.059 4.378 4.320 -0.001 0.000 0.291 437 A C 0.766 178.416 177.584 0.111 0.000 0.951 437 A CA 0.897 52.888 52.037 -0.078 0.000 1.099 437 A CB -1.949 17.033 19.000 -0.030 0.000 0.783 437 A HN 1.386 nan 8.150 nan 0.000 0.433 438 H N 0.461 119.497 119.070 -0.057 0.000 3.207 438 H HA -0.214 4.341 4.556 -0.001 0.000 0.291 438 H C -0.793 174.680 175.328 0.242 0.000 0.818 438 H CA 1.686 57.788 56.048 0.089 0.000 0.900 438 H CB -0.974 28.809 29.762 0.036 0.000 1.515 438 H HN 0.833 nan 8.280 nan 0.000 0.315 439 Y N 2.873 123.257 120.300 0.140 0.000 2.618 439 Y HA 0.534 5.083 4.550 -0.001 0.000 0.326 439 Y C -0.228 175.698 175.900 0.044 0.000 1.168 439 Y CA 0.040 58.236 58.100 0.161 0.000 1.269 439 Y CB 1.784 40.344 38.460 0.167 0.000 1.388 439 Y HN 0.579 nan 8.280 nan 0.000 0.528 440 S N 1.437 116.662 115.700 -0.791 0.000 2.563 440 S HA 0.650 5.119 4.470 -0.001 0.000 0.279 440 S C -1.695 172.410 174.600 -0.824 0.000 1.155 440 S CA -0.259 57.596 58.200 -0.575 0.000 0.928 440 S CB 1.311 64.399 63.200 -0.186 0.000 1.107 440 S HN 0.830 nan 8.310 nan 0.000 0.462 441 T N 2.604 116.829 114.554 -0.547 0.000 2.831 441 T HA 0.462 4.811 4.350 -0.001 0.000 0.333 441 T C -1.616 172.895 174.700 -0.315 0.000 1.684 441 T CA -0.560 61.312 62.100 -0.379 0.000 1.049 441 T CB 1.354 70.047 68.868 -0.291 0.000 1.518 441 T HN 0.667 nan 8.240 nan 0.000 0.491 442 V N 2.016 121.785 119.914 -0.242 0.000 2.914 442 V HA 0.671 4.791 4.120 -0.001 0.000 0.314 442 V C -0.831 175.095 176.094 -0.278 0.000 1.084 442 V CA -0.888 61.265 62.300 -0.246 0.000 0.963 442 V CB 2.047 33.774 31.823 -0.160 0.000 1.025 442 V HN 0.793 nan 8.190 nan 0.000 0.432 443 I N 3.546 123.912 120.570 -0.339 0.000 2.537 443 I HA 0.326 4.495 4.170 -0.001 0.000 0.276 443 I C -2.645 173.300 176.117 -0.287 0.000 1.063 443 I CA -1.705 59.376 61.300 -0.364 0.000 1.144 443 I CB 1.726 39.359 38.000 -0.611 0.000 1.252 443 I HN 0.371 nan 8.210 nan 0.000 0.480 444 P HA 0.084 nan 4.420 nan 0.000 0.257 444 P C -0.743 176.452 177.300 -0.175 0.000 1.189 444 P CA 0.530 63.548 63.100 -0.138 0.000 0.780 444 P CB 0.279 31.942 31.700 -0.061 0.000 0.772 445 L N 3.816 124.892 121.223 -0.244 0.000 2.295 445 L HA 0.297 4.637 4.340 -0.001 0.000 0.285 445 L C 0.927 177.707 176.870 -0.150 0.000 1.035 445 L CA -0.823 53.832 54.840 -0.309 0.000 0.806 445 L CB 1.142 42.908 42.059 -0.488 0.000 1.214 445 L HN 0.204 nan 8.230 nan 0.000 0.426 446 E N 1.647 121.799 120.200 -0.080 0.000 2.354 446 E HA 0.111 4.461 4.350 -0.001 0.000 0.269 446 E C 0.638 177.195 176.600 -0.071 0.000 1.036 446 E CA -0.104 56.263 56.400 -0.056 0.000 0.876 446 E CB 1.617 31.289 29.700 -0.048 0.000 1.009 446 E HN 0.693 nan 8.360 nan 0.000 0.416 447 A N 3.543 126.349 122.820 -0.024 0.000 2.285 447 A HA -0.205 4.115 4.320 -0.001 0.000 0.214 447 A C 1.082 178.666 177.584 -0.000 0.000 1.188 447 A CA 1.346 53.421 52.037 0.063 0.000 0.707 447 A CB -0.654 18.461 19.000 0.192 0.000 0.771 447 A HN 0.561 nan 8.150 nan 0.000 0.488 448 N N -0.421 118.110 118.700 -0.282 0.000 2.273 448 N HA 0.350 5.089 4.740 -0.001 0.000 0.231 448 N C 0.002 175.364 175.510 -0.246 0.000 1.134 448 N CA 0.494 53.202 53.050 -0.569 0.000 0.856 448 N CB -0.079 37.570 38.487 -1.397 0.000 1.068 448 N HN 0.243 nan 8.380 nan 0.000 0.510 449 A N 0.955 123.721 122.820 -0.089 0.000 2.328 449 A HA 0.728 5.047 4.320 -0.001 0.000 0.284 449 A C -0.046 177.569 177.584 0.052 0.000 1.160 449 A CA -0.313 51.757 52.037 0.055 0.000 0.818 449 A CB 0.521 19.497 19.000 -0.040 0.000 1.087 449 A HN 0.337 nan 8.150 nan 0.000 0.504 450 R N 0.494 121.071 120.500 0.128 0.000 2.817 450 R HA 0.529 4.869 4.340 -0.001 0.000 0.268 450 R C -0.187 176.202 176.300 0.149 0.000 1.027 450 R CA -0.491 55.665 56.100 0.093 0.000 0.928 450 R CB 0.561 30.885 30.300 0.039 0.000 1.228 450 R HN 0.871 nan 8.270 nan 0.000 0.469 451 N N -0.302 118.463 118.700 0.109 0.000 2.754 451 N HA -0.191 4.548 4.740 -0.001 0.000 0.248 451 N C -1.005 174.616 175.510 0.185 0.000 1.093 451 N CA 0.210 53.329 53.050 0.116 0.000 0.699 451 N CB -1.107 37.441 38.487 0.101 0.000 1.016 451 N HN 0.390 nan 8.380 nan 0.000 0.552 452 I N 1.694 122.366 120.570 0.170 0.000 2.494 452 I HA 0.028 4.198 4.170 -0.001 0.000 0.289 452 I C 0.833 177.070 176.117 0.200 0.000 1.106 452 I CA 0.341 61.753 61.300 0.187 0.000 1.369 452 I CB 0.083 38.116 38.000 0.055 0.000 1.410 452 I HN 0.153 nan 8.210 nan 0.000 0.523 453 R N 6.983 127.650 120.500 0.278 0.000 2.561 453 R HA 0.775 5.115 4.340 -0.001 0.000 0.297 453 R C -1.304 175.185 176.300 0.315 0.000 0.969 453 R CA -0.743 55.562 56.100 0.340 0.000 0.879 453 R CB 1.696 32.294 30.300 0.497 0.000 1.178 453 R HN 0.406 nan 8.270 nan 0.000 0.445 454 I N 1.770 122.495 120.570 0.257 0.000 2.947 454 I HA 0.515 4.685 4.170 -0.001 0.000 0.314 454 I C -0.351 175.902 176.117 0.227 0.000 1.028 454 I CA -1.239 60.203 61.300 0.236 0.000 1.077 454 I CB 1.941 40.051 38.000 0.183 0.000 1.274 454 I HN 0.703 nan 8.210 nan 0.000 0.485 455 K N 2.867 123.421 120.400 0.257 0.000 2.426 455 K HA 0.461 4.781 4.320 -0.001 0.000 0.332 455 K C -2.038 174.679 176.600 0.195 0.000 1.275 455 K CA -0.365 56.040 56.287 0.197 0.000 1.121 455 K CB 1.269 33.915 32.500 0.243 0.000 1.395 455 K HN 0.750 nan 8.250 nan 0.000 0.468 456 A N 4.326 127.146 122.820 0.000 0.000 2.258 456 A HA 0.604 4.923 4.320 -0.001 0.000 0.316 456 A C -0.672 176.807 177.584 -0.174 0.000 1.279 456 A CA -0.646 51.209 52.037 -0.303 0.000 0.876 456 A CB 0.855 19.509 19.000 -0.577 0.000 1.170 456 A HN 0.698 nan 8.150 nan 0.000 0.520 457 R N 1.998 122.462 120.500 -0.059 0.000 2.338 457 R HA 0.311 4.651 4.340 -0.001 0.000 0.317 457 R C -0.188 176.052 176.300 -0.101 0.000 0.968 457 R CA -0.433 55.634 56.100 -0.055 0.000 0.849 457 R CB 0.890 31.129 30.300 -0.102 0.000 1.128 457 R HN 0.742 nan 8.270 nan 0.000 0.448 458 E N 4.072 124.147 120.200 -0.209 0.000 2.344 458 E HA 0.008 4.357 4.350 -0.001 0.000 0.270 458 E C -0.715 175.600 176.600 -0.474 0.000 1.021 458 E CA -0.127 56.051 56.400 -0.369 0.000 0.887 458 E CB 0.755 30.152 29.700 -0.505 0.000 0.997 458 E HN 0.709 nan 8.360 nan 0.000 0.429 459 C N 5.009 123.868 119.300 -0.735 0.000 3.305 459 C HA 0.181 4.641 4.460 -0.001 0.000 0.566 459 C C 0.392 174.826 174.990 -0.926 0.000 1.178 459 C CA -0.163 57.901 59.018 -1.590 0.000 1.317 459 C CB -1.703 25.239 27.740 -1.330 0.000 1.634 459 C HN 0.386 nan 8.230 nan 0.000 0.643 460 T N 1.820 116.115 114.554 -0.432 0.000 3.149 460 T HA 0.614 4.964 4.350 -0.001 0.000 0.373 460 T C 0.455 175.432 174.700 0.462 0.000 1.364 460 T CA 0.133 62.264 62.100 0.052 0.000 1.110 460 T CB 0.613 69.492 68.868 0.018 0.000 1.127 460 T HN 0.846 nan 8.240 nan 0.000 0.576 461 G N 0.986 110.207 108.800 0.702 0.000 2.341 461 G HA2 0.213 4.172 3.960 -0.001 0.000 0.293 461 G HA3 0.213 4.172 3.960 -0.001 0.000 0.293 461 G C 0.204 175.406 174.900 0.504 0.000 1.298 461 G CA -0.853 44.569 45.100 0.536 0.000 0.868 461 G HN 0.487 nan 8.290 nan 0.000 0.540 462 L N -0.071 121.250 121.223 0.162 0.000 2.046 462 L HA 0.398 4.738 4.340 -0.001 0.000 0.208 462 L C 1.342 178.291 176.870 0.131 0.000 1.077 462 L CA 2.584 57.528 54.840 0.172 0.000 0.747 462 L CB -0.270 41.807 42.059 0.031 0.000 0.896 462 L HN 1.441 nan 8.230 nan 0.000 0.432 463 A N -3.694 118.922 122.820 -0.340 0.000 2.483 463 A HA 0.081 4.401 4.320 -0.001 0.000 0.294 463 A C -0.085 176.439 177.584 -1.766 0.000 1.077 463 A CA -0.161 51.308 52.037 -0.947 0.000 0.633 463 A CB -0.962 17.779 19.000 -0.431 0.000 1.318 463 A HN 0.289 nan 8.150 nan 0.000 0.455 464 W N 1.243 121.701 121.300 -1.403 0.000 2.208 464 W HA -0.278 4.382 4.660 -0.001 0.000 0.329 464 W C 1.860 178.004 176.519 -0.625 0.000 1.277 464 W CA 2.679 59.568 57.345 -0.761 0.000 1.134 464 W CB -0.183 29.000 29.460 -0.461 0.000 1.128 464 W HN 0.877 nan 8.180 nan 0.000 0.477 465 E N -0.232 119.441 120.200 -0.878 0.000 2.516 465 E HA -0.222 4.127 4.350 -0.001 0.000 0.206 465 E C 1.001 177.189 176.600 -0.686 0.000 1.107 465 E CA 1.238 57.103 56.400 -0.893 0.000 0.903 465 E CB -1.272 27.973 29.700 -0.759 0.000 0.838 465 E HN 0.467 nan 8.360 nan 0.000 0.574 466 W N -0.413 120.554 121.300 -0.555 0.000 2.653 466 W HA 0.256 4.916 4.660 -0.001 0.000 0.391 466 W C -0.197 176.100 176.519 -0.370 0.000 0.962 466 W CA -1.313 55.768 57.345 -0.440 0.000 1.900 466 W CB -0.349 28.856 29.460 -0.425 0.000 1.176 466 W HN -0.034 nan 8.180 nan 0.000 0.582 467 W N 1.233 122.488 121.300 -0.076 0.000 2.578 467 W HA 0.466 5.125 4.660 -0.001 0.000 0.353 467 W C 0.833 177.242 176.519 -0.184 0.000 1.088 467 W CA -1.726 55.554 57.345 -0.109 0.000 1.235 467 W CB 0.542 29.939 29.460 -0.106 0.000 1.362 467 W HN -0.509 nan 8.180 nan 0.000 0.592 468 R N 2.234 122.784 120.500 0.084 0.000 2.340 468 R HA 0.062 4.402 4.340 -0.001 0.000 0.300 468 R C -0.742 175.489 176.300 -0.114 0.000 1.069 468 R CA -0.163 55.906 56.100 -0.051 0.000 0.984 468 R CB 0.362 30.616 30.300 -0.077 0.000 1.003 468 R HN 0.343 nan 8.270 nan 0.000 0.459 469 D N 3.299 123.619 120.400 -0.133 0.000 2.371 469 D HA 0.026 4.666 4.640 -0.001 0.000 0.256 469 D C 0.917 177.123 176.300 -0.156 0.000 1.193 469 D CA 0.001 53.913 54.000 -0.147 0.000 0.881 469 D CB 1.448 42.165 40.800 -0.139 0.000 1.143 469 D HN 0.255 nan 8.370 nan 0.000 0.473 470 V N 2.961 122.774 119.914 -0.167 0.000 3.506 470 V HA 0.192 4.311 4.120 -0.001 0.000 0.263 470 V C 0.687 176.707 176.094 -0.124 0.000 1.203 470 V CA 0.142 62.336 62.300 -0.176 0.000 1.133 470 V CB -0.340 31.369 31.823 -0.191 0.000 0.802 470 V HN 0.451 nan 8.190 nan 0.000 0.459 471 I N -1.125 119.386 120.570 -0.098 0.000 2.714 471 I HA 0.469 4.638 4.170 -0.001 0.000 0.290 471 I C -1.202 174.878 176.117 -0.061 0.000 1.663 471 I CA 0.183 61.447 61.300 -0.058 0.000 1.011 471 I CB 2.121 40.120 38.000 -0.000 0.000 1.462 471 I HN -0.153 nan 8.210 nan 0.000 0.476 472 S N 5.465 121.110 115.700 -0.091 0.000 2.357 472 S HA 0.463 4.933 4.470 -0.001 0.000 0.209 472 S C -1.733 172.723 174.600 -0.240 0.000 0.981 472 S CA -0.635 57.457 58.200 -0.179 0.000 1.106 472 S CB 0.275 63.302 63.200 -0.289 0.000 1.266 472 S HN 0.479 nan 8.310 nan 0.000 0.410 473 E N 3.267 123.412 120.200 -0.092 0.000 2.156 473 E HA 0.312 4.662 4.350 -0.001 0.000 0.279 473 E C -1.060 175.608 176.600 0.114 0.000 0.965 473 E CA -0.309 56.093 56.400 0.003 0.000 0.789 473 E CB 1.256 31.026 29.700 0.118 0.000 1.098 473 E HN 0.677 nan 8.360 nan 0.000 0.397 474 Y N 0.596 120.954 120.300 0.097 0.000 2.360 474 Y HA 0.083 4.633 4.550 -0.001 0.000 0.337 474 Y C 0.114 176.061 175.900 0.079 0.000 1.039 474 Y CA -0.992 57.162 58.100 0.090 0.000 1.109 474 Y CB 1.210 39.715 38.460 0.075 0.000 1.201 474 Y HN 0.519 nan 8.280 nan 0.000 0.458 475 D N 0.929 121.472 120.400 0.238 0.000 2.699 475 D HA -0.155 4.485 4.640 -0.001 0.000 0.239 475 D C -0.940 175.416 176.300 0.093 0.000 1.136 475 D CA 0.371 54.449 54.000 0.130 0.000 0.668 475 D CB -1.039 39.818 40.800 0.095 0.000 1.060 475 D HN 0.077 nan 8.370 nan 0.000 0.429 476 V N 0.662 120.632 119.914 0.094 0.000 2.763 476 V HA 0.217 4.336 4.120 -0.001 0.000 0.306 476 V C -1.223 174.815 176.094 -0.094 0.000 1.059 476 V CA -0.781 61.521 62.300 0.004 0.000 1.138 476 V CB 0.430 32.278 31.823 0.042 0.000 0.940 476 V HN 0.140 nan 8.190 nan 0.000 0.489 477 P HA 0.108 nan 4.420 nan 0.000 0.276 477 P C -0.309 176.857 177.300 -0.223 0.000 1.230 477 P CA -0.507 62.462 63.100 -0.220 0.000 0.776 477 P CB 0.981 32.508 31.700 -0.289 0.000 0.888 478 L N 4.418 125.579 121.223 -0.104 0.000 2.544 478 L HA 0.064 4.403 4.340 -0.001 0.000 0.240 478 L C 0.905 177.733 176.870 -0.070 0.000 1.421 478 L CA 0.395 55.187 54.840 -0.081 0.000 1.206 478 L CB -1.701 40.348 42.059 -0.017 0.000 1.463 478 L HN 0.419 nan 8.230 nan 0.000 0.437 479 T N -2.733 111.752 114.554 -0.115 0.000 2.701 479 T HA -0.011 4.339 4.350 -0.001 0.000 0.303 479 T C 1.416 176.101 174.700 -0.024 0.000 1.030 479 T CA -0.112 61.951 62.100 -0.061 0.000 1.010 479 T CB 0.407 69.253 68.868 -0.037 0.000 1.007 479 T HN 0.413 nan 8.240 nan 0.000 0.532 480 N N 1.283 119.983 118.700 -0.001 0.000 2.094 480 N HA -0.134 4.605 4.740 -0.001 0.000 0.191 480 N C -0.260 175.245 175.510 -0.008 0.000 1.023 480 N CA 1.174 54.223 53.050 -0.001 0.000 0.857 480 N CB -0.465 38.027 38.487 0.007 0.000 1.013 480 N HN 0.591 nan 8.380 nan 0.000 0.426 481 N N -0.156 118.553 118.700 0.014 0.000 2.478 481 N HA 0.275 5.015 4.740 -0.001 0.000 0.291 481 N C -1.282 174.275 175.510 0.079 0.000 1.090 481 N CA -0.327 52.731 53.050 0.014 0.000 0.911 481 N CB 1.818 40.309 38.487 0.006 0.000 1.546 481 N HN 0.011 nan 8.380 nan 0.000 0.500 482 I N 2.735 123.337 120.570 0.054 0.000 2.310 482 I HA 0.164 4.334 4.170 -0.001 0.000 0.287 482 I C -0.561 175.595 176.117 0.066 0.000 1.073 482 I CA -0.703 60.688 61.300 0.150 0.000 1.216 482 I CB 0.052 38.094 38.000 0.070 0.000 1.415 482 I HN 0.314 nan 8.210 nan 0.000 0.480 483 N N 6.445 125.182 118.700 0.062 0.000 2.444 483 N HA 0.348 5.088 4.740 -0.001 0.000 0.262 483 N C -0.812 174.708 175.510 0.017 0.000 0.974 483 N CA -0.578 52.474 53.050 0.003 0.000 0.933 483 N CB 1.806 40.284 38.487 -0.015 0.000 1.137 483 N HN 0.080 nan 8.380 nan 0.000 0.498 484 V N 1.400 121.334 119.914 0.033 0.000 2.350 484 V HA 0.468 4.588 4.120 -0.001 0.000 0.276 484 V C -0.270 175.901 176.094 0.128 0.000 1.028 484 V CA -0.399 61.957 62.300 0.092 0.000 0.860 484 V CB 1.070 32.975 31.823 0.138 0.000 0.990 484 V HN 0.804 nan 8.190 nan 0.000 0.453 485 S N 6.173 121.969 115.700 0.159 0.000 2.707 485 S HA 0.687 5.157 4.470 -0.001 0.000 0.312 485 S C -0.619 174.197 174.600 0.359 0.000 1.116 485 S CA -0.623 57.706 58.200 0.215 0.000 1.078 485 S CB 0.631 63.916 63.200 0.142 0.000 0.997 485 S HN 0.628 nan 8.310 nan 0.000 0.477 486 I N 2.734 123.530 120.570 0.376 0.000 2.607 486 I HA 1.079 5.248 4.170 -0.001 0.000 0.305 486 I C -0.765 175.622 176.117 0.450 0.000 0.995 486 I CA -0.629 60.886 61.300 0.359 0.000 1.148 486 I CB 1.233 39.408 38.000 0.292 0.000 1.323 486 I HN 0.794 nan 8.210 nan 0.000 0.461 487 W N 3.256 124.655 121.300 0.165 0.000 3.059 487 W HA 0.863 5.522 4.660 -0.001 0.000 0.329 487 W C -0.624 175.989 176.519 0.157 0.000 1.246 487 W CA -0.271 57.128 57.345 0.091 0.000 1.190 487 W CB 0.259 29.747 29.460 0.048 0.000 1.423 487 W HN 1.216 nan 8.180 nan 0.000 0.571 488 G N 0.666 109.472 108.800 0.010 0.000 2.346 488 G HA2 0.487 4.446 3.960 -0.001 0.000 0.294 488 G HA3 0.487 4.446 3.960 -0.001 0.000 0.294 488 G C -0.670 174.346 174.900 0.192 0.000 1.294 488 G CA -0.197 44.917 45.100 0.023 0.000 0.962 488 G HN 1.568 nan 8.290 nan 0.000 0.508 489 T N -2.540 112.165 114.554 0.251 0.000 2.925 489 T HA 0.611 4.960 4.350 -0.001 0.000 0.285 489 T C 1.598 176.518 174.700 0.367 0.000 1.021 489 T CA 0.742 63.009 62.100 0.279 0.000 1.042 489 T CB 1.447 70.420 68.868 0.176 0.000 1.037 489 T HN 1.022 nan 8.240 nan 0.000 0.481 490 T N 1.392 116.174 114.554 0.379 0.000 2.721 490 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 490 T C 1.711 176.421 174.700 0.015 0.000 1.038 490 T CA 1.315 63.499 62.100 0.140 0.000 1.145 490 T CB -0.374 68.572 68.868 0.129 0.000 0.858 490 T HN 0.525 nan 8.240 nan 0.000 0.459 491 L N -1.327 119.966 121.223 0.117 0.000 2.102 491 L HA 0.126 4.466 4.340 -0.001 0.000 0.202 491 L C 0.127 177.063 176.870 0.109 0.000 1.076 491 L CA 0.997 55.916 54.840 0.130 0.000 0.761 491 L CB 0.246 42.462 42.059 0.261 0.000 0.921 491 L HN 0.214 nan 8.230 nan 0.000 0.444 492 Y N 0.570 120.862 120.300 -0.014 0.000 2.944 492 Y HA 0.376 4.926 4.550 -0.001 0.000 0.335 492 Y C -2.245 173.618 175.900 -0.063 0.000 1.075 492 Y CA -3.262 54.819 58.100 -0.032 0.000 1.240 492 Y CB 0.085 38.544 38.460 -0.002 0.000 1.167 492 Y HN 0.068 nan 8.280 nan 0.000 0.555 493 P HA 0.384 nan 4.420 nan 0.000 0.276 493 P C 0.112 177.191 177.300 -0.368 0.000 1.244 493 P CA -0.282 62.719 63.100 -0.166 0.000 0.801 493 P CB 1.287 32.831 31.700 -0.261 0.000 1.006 494 G N -0.289 108.067 108.800 -0.740 0.000 2.667 494 G HA2 0.641 4.601 3.960 -0.001 0.000 0.298 494 G HA3 0.641 4.601 3.960 -0.001 0.000 0.298 494 G C -1.475 172.550 174.900 -1.458 0.000 1.377 494 G CA -0.543 43.665 45.100 -1.487 0.000 0.964 494 G HN 0.578 nan 8.290 nan 0.000 0.493 495 S N -0.714 114.396 115.700 -0.983 0.000 2.552 495 S HA 0.878 5.348 4.470 -0.001 0.000 0.272 495 S C -0.525 174.239 174.600 0.274 0.000 1.150 495 S CA -0.098 58.023 58.200 -0.132 0.000 0.849 495 S CB 1.614 64.759 63.200 -0.091 0.000 1.113 495 S HN 2.016 nan 8.310 nan 0.000 0.458 496 S N 0.881 116.788 115.700 0.345 0.000 2.643 496 S HA 0.843 5.313 4.470 -0.001 0.000 0.270 496 S C -1.330 173.325 174.600 0.092 0.000 1.166 496 S CA -0.916 57.409 58.200 0.209 0.000 0.815 496 S CB 1.465 64.802 63.200 0.227 0.000 1.139 496 S HN 1.687 nan 8.310 nan 0.000 0.472 497 I N 1.802 122.354 120.570 -0.031 0.000 2.622 497 I HA 0.408 4.577 4.170 -0.001 0.000 0.283 497 I C -0.761 175.102 176.117 -0.423 0.000 1.202 497 I CA -0.118 61.096 61.300 -0.143 0.000 1.075 497 I CB 1.466 39.416 38.000 -0.084 0.000 1.274 497 I HN 1.067 nan 8.210 nan 0.000 0.450 498 T N 2.861 117.206 114.554 -0.349 0.000 2.912 498 T HA 0.630 4.980 4.350 -0.001 0.000 0.280 498 T C -0.687 173.749 174.700 -0.439 0.000 0.989 498 T CA -0.407 61.441 62.100 -0.420 0.000 0.995 498 T CB 1.499 70.266 68.868 -0.168 0.000 1.077 498 T HN 0.457 nan 8.240 nan 0.000 0.531 499 Y N -0.397 119.907 120.300 0.006 0.000 2.576 499 Y HA 0.569 5.118 4.550 -0.001 0.000 0.346 499 Y C 0.372 176.270 175.900 -0.004 0.000 1.018 499 Y CA -1.510 56.590 58.100 -0.000 0.000 1.050 499 Y CB 2.220 40.684 38.460 0.006 0.000 1.280 499 Y HN 0.622 nan 8.280 nan 0.000 0.474 500 N N 0.000 118.805 118.700 0.176 0.000 1.763 500 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 500 N CA 0.000 53.101 53.050 0.085 0.000 0.885 500 N CB 0.000 38.516 38.487 0.049 0.000 1.341 500 N HN 0.000 nan 8.380 nan 0.000 0.667