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 2nlz_1_C DATA FIRST_RESID 4 DATA SEQUENCE MFDPQSYPYP SRRNVVYAKN GMVATSQPLA AQAGLDILKA GGNAIDAAIA DATA SEQUENCE TATALTVLEP TSNGIGSDAF ALVWTKGKLH GLNGSGRAPM SLTMEAVKAK DATA SEQUENCE GYEQELPPYG VIPVTVPGAP GAWAELAKMY GNLPLAASLA PAIRYAEEGY DATA SEQUENCE PVTPTLAKYW KAAYDRVKTE WTDDVYQPWF DTFAPKGRAP RVGEVWRSQG DATA SEQUENCE HADTLRSIAE SNGESFYRGE LADQIHAFFD KHGGYLTKED LACYRPEWVE DATA SEQUENCE PISIDYRGYR VWEIPPNGQG LVALEALNIV KGFEFYHKDT VDTYHKQIEA DATA SEQUENCE MKLAFVDGMK YVTEPSDMSV SVEQLLSDEY ATERRKEIGE QALTPEPGTP DATA SEQUENCE XXXXTVYLAT ADGDGNMVSF IQSNYMGFGS GVVVPGTGIA MQNRGHNFSL DATA SEQUENCE DPNHDNALKP GKRTYHTIIP GFLTKNDQPI GPFGVMGGFM QPQGHMQVMM DATA SEQUENCE NTIDFGLNPQ AALDAPRWQW TNGKQVQVEP TFPVDIAQAL VRRGHKIQVV DATA SEQUENCE LDEGAFGRGQ IIWRDPTTGV LAGGTEPRTD GQVAAWEGH 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.423 176.300 0.206 0.000 1.140 4 M CA 0.000 55.393 55.300 0.156 0.000 0.988 4 M CB 0.000 32.669 32.600 0.115 0.000 1.302 5 F N 0.556 120.499 119.950 -0.012 0.000 2.683 5 F HA 0.499 5.026 4.527 0.001 0.000 0.306 5 F C -0.379 175.410 175.800 -0.017 0.000 1.102 5 F CA -0.675 57.319 58.000 -0.012 0.000 1.244 5 F CB 0.090 39.087 39.000 -0.005 0.000 1.029 5 F HN 0.267 nan 8.300 nan 0.000 0.545 6 D N 0.734 120.968 120.400 -0.278 0.000 2.966 6 D HA 0.346 4.987 4.640 0.001 0.000 0.222 6 D C -2.805 173.384 176.300 -0.185 0.000 1.292 6 D CA -1.055 52.804 54.000 -0.235 0.000 0.907 6 D CB 2.283 42.897 40.800 -0.311 0.000 1.621 6 D HN 0.040 nan 8.370 nan 0.000 0.557 7 P HA 0.300 nan 4.420 nan 0.000 0.333 7 P C -0.099 177.083 177.300 -0.197 0.000 1.370 7 P CA -0.247 62.765 63.100 -0.147 0.000 0.851 7 P CB 0.938 32.566 31.700 -0.120 0.000 2.082 8 Q N -0.440 119.246 119.800 -0.190 0.000 2.182 8 Q HA 0.277 4.618 4.340 0.001 0.000 0.270 8 Q C -0.420 175.389 176.000 -0.319 0.000 0.861 8 Q CA -0.178 55.501 55.803 -0.207 0.000 1.098 8 Q CB 0.142 28.847 28.738 -0.054 0.000 1.188 8 Q HN 0.342 nan 8.270 nan 0.000 0.464 9 S N 0.089 115.531 115.700 -0.430 0.000 2.480 9 S HA 0.398 4.868 4.470 0.001 0.000 0.286 9 S C -1.147 173.121 174.600 -0.553 0.000 1.180 9 S CA -0.363 57.631 58.200 -0.342 0.000 1.075 9 S CB 0.378 63.458 63.200 -0.201 0.000 0.996 9 S HN 0.311 nan 8.310 nan 0.000 0.487 10 Y N 4.850 125.121 120.300 -0.048 0.000 2.749 10 Y HA 0.369 4.920 4.550 0.000 0.000 0.343 10 Y C -1.764 174.057 175.900 -0.133 0.000 1.015 10 Y CA -1.692 56.379 58.100 -0.047 0.000 1.270 10 Y CB 0.965 39.422 38.460 -0.005 0.000 1.097 10 Y HN 0.590 nan 8.280 nan 0.000 0.571 11 P HA -0.062 nan 4.420 nan 0.000 0.223 11 P C -0.790 176.154 177.300 -0.594 0.000 1.151 11 P CA 1.185 63.969 63.100 -0.525 0.000 0.787 11 P CB 0.245 31.369 31.700 -0.961 0.000 0.788 12 Y N -0.141 120.212 120.300 0.088 0.000 2.468 12 Y HA 0.469 5.019 4.550 0.001 0.000 0.342 12 Y C -1.849 174.091 175.900 0.066 0.000 1.021 12 Y CA -3.365 54.775 58.100 0.067 0.000 1.079 12 Y CB -0.216 38.279 38.460 0.058 0.000 1.226 12 Y HN -0.191 nan 8.280 nan 0.000 0.460 13 P HA 0.266 nan 4.420 nan 0.000 0.275 13 P C -0.580 176.779 177.300 0.099 0.000 1.228 13 P CA -0.243 62.921 63.100 0.107 0.000 0.786 13 P CB 1.881 33.627 31.700 0.077 0.000 0.927 14 S N 0.390 116.122 115.700 0.054 0.000 2.759 14 S HA 0.715 5.185 4.470 0.001 0.000 0.310 14 S C -0.636 173.976 174.600 0.020 0.000 1.123 14 S CA -0.655 57.569 58.200 0.039 0.000 0.959 14 S CB 1.201 64.412 63.200 0.018 0.000 1.172 14 S HN 0.538 nan 8.310 nan 0.000 0.539 15 R N 1.054 121.563 120.500 0.017 0.000 2.575 15 R HA 0.502 4.842 4.340 0.001 0.000 0.293 15 R C -1.602 174.703 176.300 0.009 0.000 0.983 15 R CA -0.364 55.744 56.100 0.013 0.000 0.887 15 R CB 0.963 31.274 30.300 0.019 0.000 1.184 15 R HN 0.591 nan 8.270 nan 0.000 0.445 16 R N 3.601 124.103 120.500 0.004 0.000 2.337 16 R HA 0.411 4.751 4.340 0.001 0.000 0.319 16 R C -0.699 175.609 176.300 0.012 0.000 0.954 16 R CA -1.035 55.066 56.100 0.003 0.000 0.840 16 R CB 1.132 31.425 30.300 -0.012 0.000 1.164 16 R HN 0.588 nan 8.270 nan 0.000 0.472 17 N N 1.181 119.896 118.700 0.025 0.000 2.508 17 N HA 0.050 4.790 4.740 0.001 0.000 0.264 17 N C -0.028 175.506 175.510 0.040 0.000 1.216 17 N CA -0.170 52.907 53.050 0.046 0.000 0.943 17 N CB 0.914 39.438 38.487 0.063 0.000 1.113 17 N HN 0.184 nan 8.380 nan 0.000 0.447 18 V N 1.766 121.712 119.914 0.053 0.000 2.694 18 V HA -0.026 4.094 4.120 0.001 0.000 0.306 18 V C 0.612 176.716 176.094 0.017 0.000 1.054 18 V CA -0.128 62.166 62.300 -0.011 0.000 1.161 18 V CB 0.440 32.247 31.823 -0.026 0.000 0.916 18 V HN 0.253 nan 8.190 nan 0.000 0.490 19 V N 5.826 125.691 119.914 -0.082 0.000 2.509 19 V HA 0.347 4.467 4.120 0.001 0.000 0.284 19 V C -0.507 175.505 176.094 -0.137 0.000 1.047 19 V CA -0.334 61.952 62.300 -0.023 0.000 0.952 19 V CB 1.032 32.840 31.823 -0.025 0.000 0.988 19 V HN 0.701 nan 8.190 nan 0.000 0.469 20 Y N 2.415 122.722 120.300 0.012 0.000 2.429 20 Y HA 0.775 5.325 4.550 0.000 0.000 0.342 20 Y C 0.329 176.239 175.900 0.016 0.000 1.004 20 Y CA -0.302 57.808 58.100 0.017 0.000 1.075 20 Y CB 2.157 40.626 38.460 0.016 0.000 1.214 20 Y HN 0.781 nan 8.280 nan 0.000 0.455 21 A N 2.158 125.070 122.820 0.154 0.000 2.567 21 A HA 0.749 5.069 4.320 0.001 0.000 0.289 21 A C -0.381 177.260 177.584 0.095 0.000 1.177 21 A CA -0.671 51.427 52.037 0.102 0.000 0.694 21 A CB 1.961 21.009 19.000 0.080 0.000 1.292 21 A HN 0.595 nan 8.150 nan 0.000 0.425 22 K N -0.554 119.878 120.400 0.055 0.000 2.485 22 K HA 0.185 4.505 4.320 0.001 0.000 0.200 22 K C 0.979 177.612 176.600 0.054 0.000 1.344 22 K CA 0.895 57.212 56.287 0.050 0.000 0.948 22 K CB 0.040 32.553 32.500 0.020 0.000 1.454 22 K HN 0.712 nan 8.250 nan 0.000 0.502 23 N N 0.008 118.715 118.700 0.012 0.000 2.353 23 N HA 0.091 4.832 4.740 0.001 0.000 0.185 23 N C 0.083 175.759 175.510 0.277 0.000 1.098 23 N CA 0.113 53.185 53.050 0.038 0.000 0.872 23 N CB 1.032 39.357 38.487 -0.271 0.000 0.970 23 N HN 0.103 nan 8.380 nan 0.000 0.467 24 G N 0.795 109.759 108.800 0.273 0.000 2.405 24 G HA2 0.385 4.345 3.960 0.001 0.000 0.303 24 G HA3 0.385 4.345 3.960 0.001 0.000 0.303 24 G C -1.884 173.154 174.900 0.229 0.000 1.644 24 G CA -0.734 44.573 45.100 0.344 0.000 0.899 24 G HN -0.018 nan 8.290 nan 0.000 0.667 25 M N 1.966 121.652 119.600 0.145 0.000 2.322 25 M HA 0.642 5.123 4.480 0.001 0.000 0.285 25 M C -1.722 174.599 176.300 0.035 0.000 1.119 25 M CA -0.709 54.639 55.300 0.081 0.000 0.953 25 M CB 2.307 34.934 32.600 0.045 0.000 1.701 25 M HN 0.459 nan 8.290 nan 0.000 0.479 26 V N 3.322 123.243 119.914 0.010 0.000 2.588 26 V HA 0.907 5.027 4.120 0.001 0.000 0.304 26 V C -0.610 175.458 176.094 -0.044 0.000 1.042 26 V CA -0.664 61.618 62.300 -0.028 0.000 0.877 26 V CB 1.678 33.475 31.823 -0.043 0.000 0.996 26 V HN 0.891 nan 8.190 nan 0.000 0.425 27 A N 3.127 125.905 122.820 -0.069 0.000 2.340 27 A HA 0.877 5.197 4.320 0.001 0.000 0.297 27 A C -0.354 177.176 177.584 -0.090 0.000 1.195 27 A CA -0.383 51.611 52.037 -0.072 0.000 0.769 27 A CB 1.721 20.675 19.000 -0.076 0.000 1.163 27 A HN 0.818 nan 8.150 nan 0.000 0.472 28 T N -0.061 114.451 114.554 -0.070 0.000 2.731 28 T HA 0.451 4.802 4.350 0.001 0.000 0.300 28 T C 0.915 175.588 174.700 -0.045 0.000 1.283 28 T CA 0.425 62.484 62.100 -0.069 0.000 1.005 28 T CB 1.152 69.966 68.868 -0.091 0.000 1.420 28 T HN 1.223 nan 8.240 nan 0.000 0.503 29 S N 0.614 116.290 115.700 -0.039 0.000 2.631 29 S HA 0.327 4.797 4.470 0.001 0.000 0.217 29 S C 0.266 174.834 174.600 -0.054 0.000 0.958 29 S CA -0.009 58.170 58.200 -0.035 0.000 0.920 29 S CB -0.118 63.066 63.200 -0.027 0.000 0.776 29 S HN 0.485 nan 8.310 nan 0.000 0.517 30 Q N 0.704 120.461 119.800 -0.072 0.000 2.309 30 Q HA 0.459 4.799 4.340 0.001 0.000 0.254 30 Q C -2.562 173.377 176.000 -0.102 0.000 0.938 30 Q CA -1.838 53.906 55.803 -0.098 0.000 0.789 30 Q CB 2.188 30.840 28.738 -0.144 0.000 1.313 30 Q HN -0.009 nan 8.270 nan 0.000 0.438 31 P HA -0.125 nan 4.420 nan 0.000 0.216 31 P C 0.640 177.895 177.300 -0.074 0.000 1.150 31 P CA 1.145 64.209 63.100 -0.061 0.000 0.837 31 P CB 0.292 31.970 31.700 -0.037 0.000 0.786 32 L N -1.533 119.609 121.223 -0.135 0.000 2.291 32 L HA -0.057 4.284 4.340 0.001 0.000 0.214 32 L C 2.415 179.211 176.870 -0.124 0.000 1.120 32 L CA 1.122 55.862 54.840 -0.167 0.000 0.799 32 L CB -0.993 40.806 42.059 -0.432 0.000 0.925 32 L HN -0.053 nan 8.230 nan 0.000 0.446 33 A N 0.178 122.907 122.820 -0.151 0.000 1.897 33 A HA -0.031 4.289 4.320 0.001 0.000 0.215 33 A C 2.567 180.107 177.584 -0.073 0.000 1.181 33 A CA 1.327 53.301 52.037 -0.104 0.000 0.620 33 A CB -0.573 18.349 19.000 -0.130 0.000 0.821 33 A HN 0.333 nan 8.150 nan 0.000 0.443 34 A N -0.872 121.906 122.820 -0.070 0.000 1.933 34 A HA -0.205 4.115 4.320 0.001 0.000 0.218 34 A C 2.122 179.685 177.584 -0.036 0.000 1.175 34 A CA 2.093 54.097 52.037 -0.055 0.000 0.628 34 A CB -0.482 18.491 19.000 -0.045 0.000 0.814 34 A HN 0.511 nan 8.150 nan 0.000 0.444 35 Q N -0.242 119.549 119.800 -0.016 0.000 2.124 35 Q HA -0.021 4.319 4.340 0.001 0.000 0.202 35 Q C 2.050 178.050 176.000 0.000 0.000 0.977 35 Q CA 1.891 57.699 55.803 0.010 0.000 0.850 35 Q CB -0.560 28.206 28.738 0.047 0.000 0.901 35 Q HN 0.589 nan 8.270 nan 0.000 0.429 36 A N -0.498 122.331 122.820 0.014 0.000 1.873 36 A HA -0.035 4.285 4.320 0.001 0.000 0.215 36 A C 2.277 179.804 177.584 -0.094 0.000 1.186 36 A CA 1.548 53.575 52.037 -0.018 0.000 0.616 36 A CB -1.336 17.675 19.000 0.019 0.000 0.823 36 A HN 0.522 nan 8.150 nan 0.000 0.442 37 G N -0.718 108.019 108.800 -0.105 0.000 2.448 37 G HA2 -0.055 3.905 3.960 0.001 0.000 0.219 37 G HA3 -0.055 3.905 3.960 0.001 0.000 0.219 37 G C 1.353 176.151 174.900 -0.170 0.000 1.127 37 G CA 1.065 46.082 45.100 -0.137 0.000 0.766 37 G HN 0.335 nan 8.290 nan 0.000 0.552 38 L N 0.940 122.075 121.223 -0.146 0.000 2.056 38 L HA 0.052 4.392 4.340 0.001 0.000 0.207 38 L C 2.223 178.903 176.870 -0.316 0.000 1.078 38 L CA 1.455 56.171 54.840 -0.207 0.000 0.749 38 L CB -0.509 41.505 42.059 -0.075 0.000 0.901 38 L HN 0.074 nan 8.230 nan 0.000 0.433 39 D N -0.962 119.319 120.400 -0.200 0.000 2.218 39 D HA -0.150 4.490 4.640 0.001 0.000 0.204 39 D C 2.223 178.382 176.300 -0.234 0.000 0.976 39 D CA 1.005 54.891 54.000 -0.189 0.000 0.853 39 D CB 0.096 40.823 40.800 -0.122 0.000 0.939 39 D HN 0.201 nan 8.370 nan 0.000 0.481 40 I N 0.030 120.455 120.570 -0.241 0.000 2.480 40 I HA -0.136 4.034 4.170 0.001 0.000 0.251 40 I C 1.950 177.878 176.117 -0.316 0.000 1.124 40 I CA 0.373 61.536 61.300 -0.227 0.000 1.444 40 I CB -0.067 37.825 38.000 -0.180 0.000 1.098 40 I HN -0.054 nan 8.210 nan 0.000 0.428 41 L N 0.458 121.404 121.223 -0.462 0.000 2.013 41 L HA -0.258 4.082 4.340 0.001 0.000 0.212 41 L C 2.416 178.641 176.870 -1.075 0.000 1.073 41 L CA 1.804 56.182 54.840 -0.769 0.000 0.753 41 L CB -1.068 40.411 42.059 -0.967 0.000 0.890 41 L HN 0.191 nan 8.230 nan 0.000 0.432 42 K N -0.997 118.793 120.400 -1.016 0.000 2.044 42 K HA -0.145 4.175 4.320 0.001 0.000 0.210 42 K C 1.628 178.114 176.600 -0.190 0.000 1.049 42 K CA 1.545 57.536 56.287 -0.493 0.000 0.927 42 K CB -0.274 32.076 32.500 -0.249 0.000 0.713 42 K HN 0.339 nan 8.250 nan 0.000 0.443 43 A N -0.142 122.563 122.820 -0.192 0.000 2.265 43 A HA 0.192 4.512 4.320 0.001 0.000 0.213 43 A C 1.060 178.600 177.584 -0.073 0.000 1.255 43 A CA 0.862 52.840 52.037 -0.097 0.000 0.862 43 A CB -0.523 18.419 19.000 -0.097 0.000 0.852 43 A HN 0.528 nan 8.150 nan 0.000 0.484 44 G N -2.127 106.622 108.800 -0.085 0.000 2.157 44 G HA2 -0.044 3.917 3.960 0.001 0.000 0.239 44 G HA3 -0.044 3.917 3.960 0.001 0.000 0.239 44 G C 0.695 175.570 174.900 -0.042 0.000 0.982 44 G CA 0.134 45.220 45.100 -0.024 0.000 0.650 44 G HN 1.400 nan 8.290 nan 0.000 0.527 45 G N 0.162 108.899 108.800 -0.105 0.000 2.539 45 G HA2 0.552 4.512 3.960 0.001 0.000 0.258 45 G HA3 0.552 4.512 3.960 0.001 0.000 0.258 45 G C 0.352 175.217 174.900 -0.060 0.000 1.202 45 G CA 0.429 45.480 45.100 -0.082 0.000 0.851 45 G HN 0.967 nan 8.290 nan 0.000 0.556 46 N N -0.676 118.016 118.700 -0.012 0.000 2.566 46 N HA 0.482 5.223 4.740 0.001 0.000 0.299 46 N C 1.404 176.925 175.510 0.018 0.000 1.277 46 N CA -0.004 53.063 53.050 0.028 0.000 0.965 46 N CB 0.562 39.087 38.487 0.063 0.000 1.142 46 N HN 0.440 nan 8.380 nan 0.000 0.596 47 A N -0.398 122.457 122.820 0.060 0.000 1.978 47 A HA -0.092 4.228 4.320 0.001 0.000 0.220 47 A C 1.989 179.600 177.584 0.045 0.000 1.170 47 A CA 1.311 53.385 52.037 0.061 0.000 0.636 47 A CB -1.116 17.952 19.000 0.112 0.000 0.810 47 A HN 0.606 nan 8.150 nan 0.000 0.448 48 I N 0.377 120.987 120.570 0.065 0.000 2.202 48 I HA -0.206 3.964 4.170 0.001 0.000 0.242 48 I C 1.957 178.079 176.117 0.008 0.000 1.091 48 I CA 1.576 62.920 61.300 0.074 0.000 1.368 48 I CB -0.429 37.657 38.000 0.143 0.000 1.058 48 I HN 0.269 nan 8.210 nan 0.000 0.410 49 D N 0.905 121.302 120.400 -0.006 0.000 2.104 49 D HA -0.225 4.416 4.640 0.001 0.000 0.194 49 D C 2.281 178.515 176.300 -0.110 0.000 0.994 49 D CA 1.856 55.823 54.000 -0.055 0.000 0.830 49 D CB -0.225 40.542 40.800 -0.055 0.000 0.959 49 D HN 0.393 nan 8.370 nan 0.000 0.452 50 A N 1.356 124.113 122.820 -0.105 0.000 1.933 50 A HA -0.078 4.242 4.320 0.001 0.000 0.218 50 A C 2.380 179.862 177.584 -0.170 0.000 1.175 50 A CA 2.214 54.170 52.037 -0.135 0.000 0.628 50 A CB -0.642 18.293 19.000 -0.109 0.000 0.814 50 A HN 0.255 nan 8.150 nan 0.000 0.444 51 A N 0.002 122.724 122.820 -0.163 0.000 1.908 51 A HA -0.126 4.194 4.320 0.001 0.000 0.218 51 A C 2.106 179.402 177.584 -0.481 0.000 1.181 51 A CA 1.671 53.545 52.037 -0.271 0.000 0.627 51 A CB -0.619 18.273 19.000 -0.181 0.000 0.818 51 A HN 0.515 nan 8.150 nan 0.000 0.445 52 I N -0.371 119.964 120.570 -0.392 0.000 2.252 52 I HA -0.221 3.950 4.170 0.001 0.000 0.245 52 I C 2.952 178.792 176.117 -0.462 0.000 1.102 52 I CA 0.885 61.903 61.300 -0.469 0.000 1.385 52 I CB -0.358 37.482 38.000 -0.267 0.000 1.064 52 I HN 0.341 nan 8.210 nan 0.000 0.414 53 A N 0.748 123.380 122.820 -0.314 0.000 1.865 53 A HA -0.232 4.088 4.320 0.001 0.000 0.217 53 A C 2.412 179.845 177.584 -0.252 0.000 1.191 53 A CA 2.695 54.578 52.037 -0.257 0.000 0.623 53 A CB -1.248 17.639 19.000 -0.189 0.000 0.826 53 A HN 0.410 nan 8.150 nan 0.000 0.444 54 T N 0.291 114.697 114.554 -0.246 0.000 2.821 54 T HA 0.041 4.391 4.350 0.001 0.000 0.267 54 T C 2.185 176.744 174.700 -0.235 0.000 1.046 54 T CA 1.489 63.466 62.100 -0.206 0.000 1.139 54 T CB -0.464 68.293 68.868 -0.185 0.000 0.871 54 T HN 0.604 nan 8.240 nan 0.000 0.454 55 A N 2.206 124.805 122.820 -0.368 0.000 1.858 55 A HA -0.125 4.195 4.320 0.001 0.000 0.216 55 A C 2.666 180.073 177.584 -0.296 0.000 1.190 55 A CA 2.216 54.061 52.037 -0.321 0.000 0.617 55 A CB -1.336 17.284 19.000 -0.633 0.000 0.827 55 A HN 0.614 nan 8.150 nan 0.000 0.443 56 T N -1.963 112.248 114.554 -0.573 0.000 2.915 56 T HA 0.155 4.505 4.350 0.001 0.000 0.269 56 T C 1.901 176.464 174.700 -0.229 0.000 1.071 56 T CA 1.377 63.122 62.100 -0.591 0.000 1.132 56 T CB -0.459 67.931 68.868 -0.797 0.000 0.878 56 T HN 0.537 nan 8.240 nan 0.000 0.479 57 A N 1.627 124.344 122.820 -0.172 0.000 1.930 57 A HA 0.197 4.517 4.320 0.001 0.000 0.217 57 A C 2.332 179.872 177.584 -0.074 0.000 1.175 57 A CA 1.027 53.033 52.037 -0.053 0.000 0.627 57 A CB -0.862 18.126 19.000 -0.020 0.000 0.815 57 A HN 0.524 nan 8.150 nan 0.000 0.443 58 L N -1.123 120.050 121.223 -0.085 0.000 2.201 58 L HA -0.106 4.234 4.340 0.001 0.000 0.212 58 L C 2.635 179.497 176.870 -0.013 0.000 1.105 58 L CA 1.354 56.153 54.840 -0.069 0.000 0.775 58 L CB -0.539 41.497 42.059 -0.038 0.000 0.913 58 L HN 0.311 nan 8.230 nan 0.000 0.440 59 T N -0.933 113.652 114.554 0.052 0.000 2.833 59 T HA -0.123 4.228 4.350 0.001 0.000 0.269 59 T C 1.739 176.575 174.700 0.225 0.000 1.054 59 T CA 1.237 63.441 62.100 0.173 0.000 1.135 59 T CB 0.118 69.129 68.868 0.238 0.000 0.869 59 T HN 0.094 nan 8.240 nan 0.000 0.466 60 V N 0.033 120.040 119.914 0.154 0.000 2.922 60 V HA 0.222 4.342 4.120 0.001 0.000 0.242 60 V C 2.135 178.324 176.094 0.157 0.000 1.094 60 V CA 0.687 63.107 62.300 0.201 0.000 1.106 60 V CB -0.099 31.851 31.823 0.212 0.000 0.799 60 V HN 0.360 nan 8.190 nan 0.000 0.474 61 L N -0.237 120.896 121.223 -0.149 0.000 2.341 61 L HA 0.165 4.505 4.340 0.001 0.000 0.214 61 L C 1.267 177.996 176.870 -0.235 0.000 1.115 61 L CA 1.001 55.532 54.840 -0.514 0.000 0.820 61 L CB 0.260 41.964 42.059 -0.592 0.000 0.944 61 L HN 0.311 nan 8.230 nan 0.000 0.452 62 E N -0.194 119.914 120.200 -0.153 0.000 3.386 62 E HA 0.158 4.508 4.350 0.001 0.000 0.236 62 E C -2.032 174.375 176.600 -0.322 0.000 1.227 62 E CA -1.468 54.817 56.400 -0.192 0.000 0.970 62 E CB 0.988 30.589 29.700 -0.166 0.000 1.343 62 E HN 0.004 nan 8.360 nan 0.000 0.397 63 P HA -0.089 nan 4.420 nan 0.000 0.233 63 P C 1.236 177.671 177.300 -1.441 0.000 1.167 63 P CA 0.924 63.572 63.100 -0.753 0.000 0.770 63 P CB 0.056 31.235 31.700 -0.868 0.000 0.837 64 T N -5.080 108.669 114.554 -1.341 0.000 3.035 64 T HA 0.042 4.392 4.350 0.001 0.000 0.268 64 T C 1.478 175.719 174.700 -0.766 0.000 1.109 64 T CA 0.964 62.263 62.100 -1.335 0.000 1.119 64 T CB -0.650 67.832 68.868 -0.644 0.000 0.900 64 T HN -0.065 nan 8.240 nan 0.000 0.503 65 S N 0.756 116.133 115.700 -0.539 0.000 2.780 65 S HA 0.370 4.840 4.470 0.001 0.000 0.248 65 S C -0.011 174.481 174.600 -0.180 0.000 1.036 65 S CA -0.773 57.244 58.200 -0.305 0.000 1.061 65 S CB 0.103 63.160 63.200 -0.239 0.000 1.037 65 S HN 0.661 nan 8.310 nan 0.000 0.584 66 N N -0.603 117.972 118.700 -0.208 0.000 3.046 66 N HA 0.548 5.288 4.740 0.001 0.000 0.243 66 N C -1.508 174.009 175.510 0.012 0.000 1.452 66 N CA -0.342 52.678 53.050 -0.049 0.000 0.882 66 N CB 1.663 40.134 38.487 -0.027 0.000 1.425 66 N HN 0.263 nan 8.380 nan 0.000 0.517 67 G N 0.130 109.016 108.800 0.143 0.000 2.489 67 G HA2 0.279 4.239 3.960 0.001 0.000 0.291 67 G HA3 0.279 4.239 3.960 0.001 0.000 0.291 67 G C 0.374 175.430 174.900 0.259 0.000 1.487 67 G CA -0.656 44.587 45.100 0.239 0.000 0.795 67 G HN 0.465 nan 8.290 nan 0.000 0.513 68 I N 0.424 121.156 120.570 0.271 0.000 2.493 68 I HA -0.004 4.167 4.170 0.001 0.000 0.254 68 I C 2.314 178.445 176.117 0.024 0.000 1.160 68 I CA 1.492 62.910 61.300 0.196 0.000 1.445 68 I CB -0.176 37.932 38.000 0.179 0.000 1.086 68 I HN 0.561 nan 8.210 nan 0.000 0.433 69 G N 0.823 109.721 108.800 0.163 0.000 3.279 69 G HA2 0.092 4.052 3.960 0.001 0.000 0.230 69 G HA3 0.092 4.052 3.960 0.001 0.000 0.230 69 G C 0.460 175.433 174.900 0.121 0.000 1.230 69 G CA -0.128 45.090 45.100 0.196 0.000 0.891 69 G HN 0.206 nan 8.290 nan 0.000 0.518 70 S N 0.389 116.124 115.700 0.059 0.000 2.645 70 S HA 0.425 4.896 4.470 0.001 0.000 0.266 70 S C -0.014 174.566 174.600 -0.033 0.000 1.258 70 S CA -0.579 57.656 58.200 0.059 0.000 0.990 70 S CB 1.142 64.403 63.200 0.101 0.000 0.967 70 S HN 0.572 nan 8.310 nan 0.000 0.556 71 D N -0.515 119.887 120.400 0.004 0.000 2.442 71 D HA 0.780 5.421 4.640 0.001 0.000 0.254 71 D C -0.577 175.657 176.300 -0.110 0.000 1.069 71 D CA -0.847 53.088 54.000 -0.108 0.000 1.017 71 D CB 1.000 41.718 40.800 -0.136 0.000 1.172 71 D HN 0.575 nan 8.370 nan 0.000 0.561 72 A N -0.812 121.835 122.820 -0.290 0.000 2.532 72 A HA 0.788 5.109 4.320 0.001 0.000 0.290 72 A C -1.674 175.569 177.584 -0.567 0.000 1.143 72 A CA -0.833 51.006 52.037 -0.330 0.000 0.728 72 A CB 1.180 20.012 19.000 -0.279 0.000 1.317 72 A HN 0.444 nan 8.150 nan 0.000 0.414 73 F N -1.006 118.632 119.950 -0.520 0.000 2.619 73 F HA 0.714 5.241 4.527 0.001 0.000 0.308 73 F C 0.206 175.762 175.800 -0.406 0.000 1.097 73 F CA 0.078 57.849 58.000 -0.383 0.000 0.953 73 F CB 2.671 41.498 39.000 -0.289 0.000 1.287 73 F HN 0.940 nan 8.300 nan 0.000 0.446 74 A N 2.919 125.743 122.820 0.007 0.000 2.488 74 A HA 0.825 5.146 4.320 0.001 0.000 0.298 74 A C -2.047 175.649 177.584 0.187 0.000 1.044 74 A CA -0.548 51.558 52.037 0.115 0.000 0.693 74 A CB 1.432 20.575 19.000 0.239 0.000 1.272 74 A HN 0.729 nan 8.150 nan 0.000 0.402 75 L N 2.474 123.826 121.223 0.214 0.000 2.305 75 L HA 0.661 5.001 4.340 0.001 0.000 0.284 75 L C -0.574 176.379 176.870 0.138 0.000 1.013 75 L CA -0.901 54.035 54.840 0.159 0.000 0.819 75 L CB 1.695 43.855 42.059 0.169 0.000 1.227 75 L HN 0.570 nan 8.230 nan 0.000 0.417 76 V N 4.275 124.233 119.914 0.073 0.000 2.487 76 V HA 0.460 4.581 4.120 0.001 0.000 0.298 76 V C -1.242 174.784 176.094 -0.113 0.000 1.028 76 V CA -0.312 62.019 62.300 0.052 0.000 0.860 76 V CB 1.969 33.871 31.823 0.133 0.000 0.991 76 V HN 0.774 nan 8.190 nan 0.000 0.427 77 W N 6.830 127.934 121.300 -0.327 0.000 2.316 77 W HA 0.677 5.338 4.660 0.000 0.000 0.308 77 W C -0.791 175.631 176.519 -0.162 0.000 1.106 77 W CA -0.098 57.044 57.345 -0.340 0.000 1.262 77 W CB 1.463 30.707 29.460 -0.360 0.000 1.233 77 W HN 0.765 nan 8.180 nan 0.000 0.447 78 T N 6.469 120.752 114.554 -0.452 0.000 2.982 78 T HA 0.182 4.532 4.350 0.001 0.000 0.321 78 T C -0.432 174.029 174.700 -0.398 0.000 1.229 78 T CA -0.534 61.385 62.100 -0.302 0.000 1.044 78 T CB 0.614 69.290 68.868 -0.319 0.000 1.184 78 T HN 0.417 nan 8.240 nan 0.000 0.477 79 K N 2.605 122.878 120.400 -0.211 0.000 3.451 79 K HA -0.212 4.108 4.320 0.001 0.000 0.273 79 K C 0.912 177.325 176.600 -0.310 0.000 0.944 79 K CA 1.066 57.251 56.287 -0.170 0.000 0.734 79 K CB -2.350 30.084 32.500 -0.109 0.000 1.437 79 K HN 1.779 nan 8.250 nan 0.000 0.454 80 G N -0.331 108.247 108.800 -0.370 0.000 2.212 80 G HA2 -0.379 3.581 3.960 0.001 0.000 0.267 80 G HA3 -0.379 3.581 3.960 0.001 0.000 0.267 80 G C 0.014 174.306 174.900 -1.013 0.000 1.002 80 G CA 1.279 46.142 45.100 -0.394 0.000 0.729 80 G HN 0.572 nan 8.290 nan 0.000 0.517 81 K N -0.997 118.466 120.400 -1.563 0.000 2.501 81 K HA 0.721 5.042 4.320 0.001 0.000 0.252 81 K C -0.841 174.785 176.600 -1.623 0.000 0.934 81 K CA -0.998 54.452 56.287 -1.395 0.000 0.797 81 K CB 1.423 33.422 32.500 -0.834 0.000 1.270 81 K HN 0.257 nan 8.250 nan 0.000 0.431 82 L N 4.803 125.270 121.223 -1.261 0.000 2.276 82 L HA 0.462 4.802 4.340 0.001 0.000 0.286 82 L C -1.015 175.348 176.870 -0.845 0.000 1.061 82 L CA 0.153 54.472 54.840 -0.868 0.000 0.807 82 L CB 0.510 42.142 42.059 -0.711 0.000 1.177 82 L HN 0.690 nan 8.230 nan 0.000 0.429 83 H N 3.574 122.449 119.070 -0.325 0.000 2.538 83 H HA 0.561 5.117 4.556 0.001 0.000 0.353 83 H C -0.286 175.114 175.328 0.120 0.000 1.109 83 H CA -0.656 55.325 56.048 -0.112 0.000 1.192 83 H CB 1.912 31.553 29.762 -0.201 0.000 1.555 83 H HN 0.785 nan 8.280 nan 0.000 0.518 84 G N 1.907 110.918 108.800 0.352 0.000 2.372 84 G HA2 0.428 4.388 3.960 0.001 0.000 0.323 84 G HA3 0.428 4.388 3.960 0.001 0.000 0.323 84 G C -1.162 173.938 174.900 0.333 0.000 1.152 84 G CA -0.453 44.831 45.100 0.307 0.000 0.906 84 G HN 0.348 nan 8.290 nan 0.000 0.460 85 L N 2.408 123.685 121.223 0.090 0.000 2.319 85 L HA 0.474 4.814 4.340 0.001 0.000 0.281 85 L C -0.374 176.329 176.870 -0.279 0.000 1.005 85 L CA -0.990 53.664 54.840 -0.309 0.000 0.828 85 L CB 1.645 43.341 42.059 -0.606 0.000 1.227 85 L HN 0.466 nan 8.230 nan 0.000 0.415 86 N N 3.531 122.034 118.700 -0.328 0.000 3.083 86 N HA 0.238 4.979 4.740 0.001 0.000 0.260 86 N C 0.571 175.697 175.510 -0.639 0.000 1.163 86 N CA 0.093 52.862 53.050 -0.469 0.000 1.060 86 N CB 0.892 39.281 38.487 -0.163 0.000 1.345 86 N HN 0.839 nan 8.380 nan 0.000 0.515 87 G N 0.832 109.136 108.800 -0.827 0.000 3.414 87 G HA2 -0.040 3.921 3.960 0.001 0.000 0.258 87 G HA3 -0.040 3.921 3.960 0.001 0.000 0.258 87 G C 0.195 174.762 174.900 -0.556 0.000 1.348 87 G CA -0.257 44.532 45.100 -0.518 0.000 1.319 87 G HN 0.410 nan 8.290 nan 0.000 0.555 88 S N 0.115 115.437 115.700 -0.629 0.000 2.438 88 S HA 0.622 5.092 4.470 0.001 0.000 0.293 88 S C 0.753 175.307 174.600 -0.077 0.000 1.141 88 S CA -0.319 57.645 58.200 -0.393 0.000 1.080 88 S CB 0.803 63.791 63.200 -0.353 0.000 0.978 88 S HN 0.383 nan 8.310 nan 0.000 0.479 89 G N 4.311 113.045 108.800 -0.110 0.000 2.448 89 G HA2 0.447 4.407 3.960 0.001 0.000 0.285 89 G HA3 0.447 4.407 3.960 0.001 0.000 0.285 89 G C 0.119 175.051 174.900 0.052 0.000 1.176 89 G CA -0.902 44.142 45.100 -0.093 0.000 0.852 89 G HN 0.893 nan 8.290 nan 0.000 0.530 90 R N 0.582 121.146 120.500 0.107 0.000 2.541 90 R HA 0.659 4.999 4.340 0.001 0.000 0.263 90 R C 0.179 176.565 176.300 0.143 0.000 1.112 90 R CA -0.339 55.849 56.100 0.146 0.000 1.170 90 R CB 0.422 30.804 30.300 0.136 0.000 1.167 90 R HN 0.474 nan 8.270 nan 0.000 0.582 91 A N 1.451 124.381 122.820 0.183 0.000 2.407 91 A HA 0.347 4.668 4.320 0.001 0.000 0.248 91 A C -2.074 175.541 177.584 0.051 0.000 1.082 91 A CA -1.485 50.629 52.037 0.128 0.000 0.785 91 A CB -0.319 18.695 19.000 0.022 0.000 1.020 91 A HN 0.523 nan 8.150 nan 0.000 0.489 92 P HA 0.036 nan 4.420 nan 0.000 0.267 92 P C 0.632 177.946 177.300 0.024 0.000 1.200 92 P CA 0.052 63.181 63.100 0.047 0.000 0.772 92 P CB 0.309 32.070 31.700 0.101 0.000 0.855 93 M N 2.767 122.391 119.600 0.041 0.000 2.476 93 M HA -0.100 4.381 4.480 0.001 0.000 0.262 93 M C 1.331 177.651 176.300 0.034 0.000 1.079 93 M CA 1.510 56.826 55.300 0.027 0.000 1.104 93 M CB -0.796 31.824 32.600 0.034 0.000 1.409 93 M HN 0.312 nan 8.290 nan 0.000 0.467 94 S N -1.344 114.407 115.700 0.085 0.000 2.575 94 S HA 0.166 4.636 4.470 0.001 0.000 0.215 94 S C 0.698 175.329 174.600 0.052 0.000 0.966 94 S CA -0.321 57.962 58.200 0.138 0.000 0.911 94 S CB -0.428 62.926 63.200 0.257 0.000 0.780 94 S HN 0.441 nan 8.310 nan 0.000 0.514 95 L N 3.986 125.134 121.223 -0.125 0.000 2.334 95 L HA 0.343 4.683 4.340 0.001 0.000 0.286 95 L C 0.041 176.729 176.870 -0.304 0.000 1.108 95 L CA -0.137 54.442 54.840 -0.434 0.000 0.875 95 L CB 0.492 42.317 42.059 -0.391 0.000 1.246 95 L HN 0.404 nan 8.230 nan 0.000 0.439 96 T N -0.006 114.389 114.554 -0.264 0.000 2.940 96 T HA 0.282 4.632 4.350 0.001 0.000 0.288 96 T C 1.021 175.618 174.700 -0.171 0.000 1.045 96 T CA -0.809 61.183 62.100 -0.180 0.000 1.018 96 T CB 1.901 70.712 68.868 -0.095 0.000 1.151 96 T HN 0.521 nan 8.240 nan 0.000 0.529 97 M N 0.894 120.415 119.600 -0.132 0.000 2.117 97 M HA -0.084 4.396 4.480 0.001 0.000 0.262 97 M C 2.288 178.556 176.300 -0.054 0.000 1.065 97 M CA 1.677 56.919 55.300 -0.096 0.000 1.114 97 M CB -0.175 32.382 32.600 -0.073 0.000 1.361 97 M HN 0.859 nan 8.290 nan 0.000 0.408 98 E N -0.281 119.895 120.200 -0.041 0.000 2.285 98 E HA -0.062 4.288 4.350 0.001 0.000 0.194 98 E C 1.669 178.268 176.600 -0.001 0.000 0.997 98 E CA 1.111 57.502 56.400 -0.015 0.000 0.845 98 E CB -0.398 29.296 29.700 -0.009 0.000 0.782 98 E HN 0.513 nan 8.360 nan 0.000 0.491 99 A N 1.714 124.527 122.820 -0.012 0.000 1.929 99 A HA -0.021 4.299 4.320 0.001 0.000 0.216 99 A C 2.353 179.970 177.584 0.056 0.000 1.176 99 A CA 1.236 53.292 52.037 0.032 0.000 0.628 99 A CB -0.556 18.462 19.000 0.030 0.000 0.816 99 A HN 0.184 nan 8.150 nan 0.000 0.444 100 V N -0.151 119.767 119.914 0.007 0.000 2.788 100 V HA -0.084 4.036 4.120 0.001 0.000 0.251 100 V C 2.356 178.505 176.094 0.092 0.000 1.068 100 V CA 2.433 64.778 62.300 0.075 0.000 1.090 100 V CB -0.261 31.578 31.823 0.027 0.000 0.710 100 V HN 0.635 nan 8.190 nan 0.000 0.467 101 K N 1.655 122.079 120.400 0.041 0.000 2.057 101 K HA -0.020 4.301 4.320 0.001 0.000 0.207 101 K C 1.803 178.411 176.600 0.015 0.000 1.049 101 K CA 2.111 58.415 56.287 0.029 0.000 0.931 101 K CB -0.687 31.820 32.500 0.011 0.000 0.714 101 K HN 0.458 nan 8.250 nan 0.000 0.440 102 A N -0.029 122.803 122.820 0.019 0.000 2.235 102 A HA 0.027 4.347 4.320 0.001 0.000 0.208 102 A C 1.628 179.212 177.584 -0.001 0.000 1.172 102 A CA 0.871 52.913 52.037 0.010 0.000 0.786 102 A CB -0.265 18.747 19.000 0.020 0.000 0.804 102 A HN 0.324 nan 8.150 nan 0.000 0.479 103 K N -1.777 118.624 120.400 0.000 0.000 2.358 103 K HA 0.306 4.627 4.320 0.001 0.000 0.200 103 K C 1.081 177.544 176.600 -0.227 0.000 1.030 103 K CA 0.607 56.872 56.287 -0.037 0.000 1.097 103 K CB 0.228 32.777 32.500 0.082 0.000 0.862 103 K HN 0.493 nan 8.250 nan 0.000 0.534 104 G N 0.183 108.848 108.800 -0.225 0.000 2.612 104 G HA2 -0.224 3.737 3.960 0.001 0.000 0.200 104 G HA3 -0.224 3.737 3.960 0.001 0.000 0.200 104 G C -0.473 174.252 174.900 -0.291 0.000 1.053 104 G CA -0.523 44.373 45.100 -0.339 0.000 0.707 104 G HN 0.196 nan 8.290 nan 0.000 0.497 105 Y N 2.343 122.660 120.300 0.028 0.000 2.336 105 Y HA 0.501 5.051 4.550 0.000 0.000 0.335 105 Y C 1.429 177.332 175.900 0.005 0.000 1.046 105 Y CA 0.441 58.553 58.100 0.021 0.000 1.198 105 Y CB 0.947 39.426 38.460 0.031 0.000 1.182 105 Y HN 0.500 nan 8.280 nan 0.000 0.502 106 E N 0.164 120.444 120.200 0.134 0.000 2.633 106 E HA 0.009 4.359 4.350 0.001 0.000 0.222 106 E C 1.047 177.672 176.600 0.043 0.000 0.899 106 E CA 0.057 56.497 56.400 0.067 0.000 1.292 106 E CB 0.167 29.887 29.700 0.034 0.000 1.257 106 E HN 0.611 nan 8.360 nan 0.000 0.626 107 Q N 2.273 122.104 119.800 0.051 0.000 1.990 107 Q HA 0.037 4.377 4.340 0.001 0.000 0.195 107 Q C 0.110 176.100 176.000 -0.016 0.000 0.977 107 Q CA 1.717 57.529 55.803 0.016 0.000 0.828 107 Q CB 0.378 29.129 28.738 0.022 0.000 0.896 107 Q HN 0.396 nan 8.270 nan 0.000 0.447 108 E N -0.445 119.745 120.200 -0.016 0.000 2.390 108 E HA 0.424 4.774 4.350 0.001 0.000 0.277 108 E C -0.889 175.658 176.600 -0.087 0.000 0.939 108 E CA -0.878 55.465 56.400 -0.095 0.000 0.769 108 E CB 1.099 30.687 29.700 -0.187 0.000 1.251 108 E HN 0.259 nan 8.360 nan 0.000 0.450 109 L N -0.982 120.160 121.223 -0.136 0.000 2.464 109 L HA 0.553 4.894 4.340 0.001 0.000 0.264 109 L C -2.119 174.642 176.870 -0.181 0.000 1.199 109 L CA -1.998 52.742 54.840 -0.167 0.000 0.818 109 L CB -0.372 41.636 42.059 -0.084 0.000 1.102 109 L HN 0.382 nan 8.230 nan 0.000 0.473 110 P HA 0.145 nan 4.420 nan 0.000 0.271 110 P C -2.252 175.028 177.300 -0.034 0.000 1.218 110 P CA -1.408 61.522 63.100 -0.284 0.000 0.780 110 P CB 0.295 31.712 31.700 -0.471 0.000 0.901 111 P HA -0.077 nan 4.420 nan 0.000 0.219 111 P C -0.111 176.801 177.300 -0.646 0.000 1.150 111 P CA 1.580 64.275 63.100 -0.675 0.000 0.814 111 P CB 0.042 31.067 31.700 -1.125 0.000 0.787 112 Y N -1.371 118.951 120.300 0.037 0.000 2.602 112 Y HA 0.580 5.130 4.550 0.001 0.000 0.342 112 Y C 1.201 177.125 175.900 0.041 0.000 1.029 112 Y CA -0.336 57.787 58.100 0.038 0.000 1.080 112 Y CB 1.785 40.270 38.460 0.041 0.000 1.284 112 Y HN 0.099 nan 8.280 nan 0.000 0.485 113 G N -0.502 108.401 108.800 0.173 0.000 2.526 113 G HA2 -0.134 3.827 3.960 0.001 0.000 0.250 113 G HA3 -0.134 3.827 3.960 0.001 0.000 0.250 113 G C 0.180 175.058 174.900 -0.037 0.000 1.289 113 G CA -0.380 44.695 45.100 -0.041 0.000 0.947 113 G HN 1.204 nan 8.290 nan 0.000 0.517 114 V N -1.239 118.625 119.914 -0.084 0.000 3.217 114 V HA 0.233 4.353 4.120 0.001 0.000 0.264 114 V C 2.575 178.825 176.094 0.260 0.000 1.135 114 V CA 2.087 64.393 62.300 0.010 0.000 1.142 114 V CB -0.727 31.003 31.823 -0.154 0.000 0.754 114 V HN 0.648 nan 8.190 nan 0.000 0.484 115 I N 1.307 122.001 120.570 0.207 0.000 2.233 115 I HA -0.004 4.167 4.170 0.001 0.000 0.243 115 I C -0.020 176.215 176.117 0.197 0.000 1.093 115 I CA 1.267 62.721 61.300 0.257 0.000 1.380 115 I CB -1.178 36.938 38.000 0.194 0.000 1.067 115 I HN 0.334 nan 8.210 nan 0.000 0.413 116 P HA 0.070 nan 4.420 nan 0.000 0.253 116 P C 0.048 177.469 177.300 0.202 0.000 1.260 116 P CA 0.573 63.776 63.100 0.172 0.000 0.800 116 P CB -0.069 31.730 31.700 0.165 0.000 1.162 117 V N 1.927 121.986 119.914 0.242 0.000 2.415 117 V HA 0.104 4.224 4.120 0.001 0.000 0.267 117 V C 1.330 177.524 176.094 0.167 0.000 1.042 117 V CA 0.147 62.594 62.300 0.244 0.000 1.000 117 V CB -0.065 31.996 31.823 0.396 0.000 1.015 117 V HN 0.243 nan 8.190 nan 0.000 0.478 118 T N 1.807 116.442 114.554 0.134 0.000 2.862 118 T HA 0.575 4.925 4.350 0.001 0.000 0.276 118 T C 0.149 174.868 174.700 0.032 0.000 0.974 118 T CA -0.630 61.529 62.100 0.098 0.000 0.966 118 T CB 1.680 70.624 68.868 0.127 0.000 1.072 118 T HN 0.779 nan 8.240 nan 0.000 0.538 119 V N -0.863 119.050 119.914 -0.002 0.000 2.485 119 V HA 0.340 4.461 4.120 0.001 0.000 0.287 119 V C -2.690 173.345 176.094 -0.099 0.000 1.022 119 V CA -1.870 60.398 62.300 -0.053 0.000 1.067 119 V CB -0.701 31.094 31.823 -0.047 0.000 0.967 119 V HN 0.691 nan 8.190 nan 0.000 0.479 120 P HA 0.207 nan 4.420 nan 0.000 0.264 120 P C 0.969 178.162 177.300 -0.179 0.000 1.229 120 P CA 0.564 63.657 63.100 -0.012 0.000 0.780 120 P CB 0.790 32.606 31.700 0.193 0.000 0.808 121 G N 2.962 111.548 108.800 -0.357 0.000 2.838 121 G HA2 0.051 4.012 3.960 0.001 0.000 0.210 121 G HA3 0.051 4.012 3.960 0.001 0.000 0.210 121 G C 1.357 176.068 174.900 -0.316 0.000 1.153 121 G CA 0.622 45.379 45.100 -0.571 0.000 0.778 121 G HN 0.479 nan 8.290 nan 0.000 0.539 122 A N 1.967 124.537 122.820 -0.418 0.000 1.873 122 A HA 0.093 4.413 4.320 0.001 0.000 0.215 122 A C 0.613 177.403 177.584 -1.322 0.000 1.186 122 A CA 1.622 53.267 52.037 -0.653 0.000 0.616 122 A CB -0.990 17.722 19.000 -0.480 0.000 0.823 122 A HN 0.316 nan 8.150 nan 0.000 0.442 123 P HA -0.085 nan 4.420 nan 0.000 0.216 123 P C 1.687 178.783 177.300 -0.340 0.000 1.150 123 P CA 1.710 63.991 63.100 -1.365 0.000 0.837 123 P CB -0.348 30.609 31.700 -1.237 0.000 0.786 124 G N 0.152 108.990 108.800 0.064 0.000 2.402 124 G HA2 -0.220 3.740 3.960 0.001 0.000 0.216 124 G HA3 -0.220 3.740 3.960 0.001 0.000 0.216 124 G C 1.658 176.543 174.900 -0.024 0.000 1.162 124 G CA 0.863 46.049 45.100 0.143 0.000 0.777 124 G HN 0.317 nan 8.290 nan 0.000 0.539 125 A N 0.300 123.055 122.820 -0.108 0.000 1.933 125 A HA -0.002 4.319 4.320 0.001 0.000 0.218 125 A C 2.183 179.839 177.584 0.119 0.000 1.175 125 A CA 1.477 53.462 52.037 -0.087 0.000 0.628 125 A CB -0.569 18.356 19.000 -0.125 0.000 0.814 125 A HN 0.461 nan 8.150 nan 0.000 0.444 126 W N -0.242 121.107 121.300 0.082 0.000 2.333 126 W HA -0.107 4.553 4.660 0.000 0.000 0.316 126 W C 2.831 179.370 176.519 0.035 0.000 1.215 126 W CA 0.855 58.229 57.345 0.047 0.000 1.278 126 W CB -1.493 27.972 29.460 0.008 0.000 1.154 126 W HN 0.430 nan 8.180 nan 0.000 0.486 127 A N 0.205 123.184 122.820 0.265 0.000 1.877 127 A HA -0.193 4.127 4.320 0.001 0.000 0.216 127 A C 2.011 179.661 177.584 0.110 0.000 1.186 127 A CA 1.754 53.890 52.037 0.166 0.000 0.620 127 A CB -0.741 18.345 19.000 0.143 0.000 0.822 127 A HN 0.164 nan 8.150 nan 0.000 0.443 128 E N -0.658 119.586 120.200 0.073 0.000 2.150 128 E HA -0.128 4.222 4.350 0.001 0.000 0.193 128 E C 1.895 178.604 176.600 0.182 0.000 0.985 128 E CA 0.662 57.105 56.400 0.072 0.000 0.814 128 E CB -0.230 29.436 29.700 -0.057 0.000 0.752 128 E HN 0.419 nan 8.360 nan 0.000 0.466 129 L N 0.654 121.991 121.223 0.190 0.000 2.056 129 L HA -0.066 4.275 4.340 0.001 0.000 0.207 129 L C 2.250 179.251 176.870 0.218 0.000 1.078 129 L CA 1.779 56.794 54.840 0.291 0.000 0.749 129 L CB -1.163 41.061 42.059 0.276 0.000 0.901 129 L HN -0.010 nan 8.230 nan 0.000 0.433 130 A N -0.765 122.142 122.820 0.146 0.000 1.873 130 A HA -0.260 4.060 4.320 0.001 0.000 0.215 130 A C 2.432 180.047 177.584 0.051 0.000 1.186 130 A CA 1.907 53.997 52.037 0.089 0.000 0.616 130 A CB -0.516 18.525 19.000 0.069 0.000 0.823 130 A HN 0.413 nan 8.150 nan 0.000 0.442 131 K N -1.446 118.980 120.400 0.042 0.000 2.026 131 K HA -0.152 4.169 4.320 0.001 0.000 0.208 131 K C 2.008 178.557 176.600 -0.085 0.000 1.048 131 K CA 1.995 58.278 56.287 -0.007 0.000 0.929 131 K CB -0.228 32.276 32.500 0.005 0.000 0.713 131 K HN 0.364 nan 8.250 nan 0.000 0.439 132 M N -1.051 118.470 119.600 -0.131 0.000 2.193 132 M HA -0.026 4.455 4.480 0.001 0.000 0.265 132 M C 0.604 176.505 176.300 -0.665 0.000 1.071 132 M CA 1.475 56.475 55.300 -0.499 0.000 1.140 132 M CB 0.390 32.568 32.600 -0.704 0.000 1.369 132 M HN 0.188 nan 8.290 nan 0.000 0.423 133 Y N -1.721 118.579 120.300 -0.001 0.000 2.563 133 Y HA 0.489 5.040 4.550 0.001 0.000 0.250 133 Y C 0.945 176.848 175.900 0.005 0.000 1.126 133 Y CA -0.627 57.456 58.100 -0.028 0.000 1.231 133 Y CB -0.365 38.073 38.460 -0.037 0.000 1.288 133 Y HN 0.046 nan 8.280 nan 0.000 0.537 134 G N 0.059 108.930 108.800 0.118 0.000 2.451 134 G HA2 0.181 4.142 3.960 0.001 0.000 0.303 134 G HA3 0.181 4.142 3.960 0.001 0.000 0.303 134 G C 0.403 175.326 174.900 0.038 0.000 1.166 134 G CA -0.335 44.809 45.100 0.073 0.000 0.884 134 G HN 0.056 nan 8.290 nan 0.000 0.514 135 N N -0.688 118.027 118.700 0.025 0.000 2.402 135 N HA 0.078 4.819 4.740 0.001 0.000 0.174 135 N C 0.697 176.207 175.510 0.001 0.000 1.027 135 N CA 0.330 53.388 53.050 0.013 0.000 0.891 135 N CB 0.073 38.569 38.487 0.014 0.000 1.016 135 N HN 0.358 nan 8.380 nan 0.000 0.439 136 L N 2.049 123.268 121.223 -0.007 0.000 2.344 136 L HA 0.460 4.800 4.340 0.001 0.000 0.272 136 L C -2.017 174.846 176.870 -0.011 0.000 1.035 136 L CA -1.892 52.938 54.840 -0.017 0.000 0.807 136 L CB 1.104 43.142 42.059 -0.036 0.000 1.237 136 L HN -0.085 nan 8.230 nan 0.000 0.442 137 P HA 0.014 nan 4.420 nan 0.000 0.272 137 P C 0.592 177.887 177.300 -0.008 0.000 1.230 137 P CA -0.530 62.568 63.100 -0.004 0.000 0.788 137 P CB 1.155 32.853 31.700 -0.003 0.000 0.949 138 L N 2.424 123.651 121.223 0.007 0.000 2.127 138 L HA -0.194 4.146 4.340 0.001 0.000 0.211 138 L C 2.462 179.322 176.870 -0.018 0.000 1.089 138 L CA 2.290 57.134 54.840 0.006 0.000 0.757 138 L CB -1.663 40.426 42.059 0.049 0.000 0.899 138 L HN 0.529 nan 8.230 nan 0.000 0.434 139 A N -1.377 121.437 122.820 -0.010 0.000 2.015 139 A HA -0.027 4.294 4.320 0.001 0.000 0.219 139 A C 2.396 179.955 177.584 -0.041 0.000 1.163 139 A CA 1.494 53.519 52.037 -0.019 0.000 0.646 139 A CB -0.708 18.288 19.000 -0.008 0.000 0.806 139 A HN 0.478 nan 8.150 nan 0.000 0.448 140 A N 0.219 123.013 122.820 -0.044 0.000 1.874 140 A HA 0.009 4.329 4.320 0.001 0.000 0.214 140 A C 2.459 179.993 177.584 -0.084 0.000 1.189 140 A CA 1.854 53.856 52.037 -0.059 0.000 0.615 140 A CB -0.888 18.081 19.000 -0.051 0.000 0.830 140 A HN 0.882 nan 8.150 nan 0.000 0.443 141 S N 0.298 115.945 115.700 -0.088 0.000 2.447 141 S HA -0.044 4.427 4.470 0.001 0.000 0.233 141 S C 1.286 175.793 174.600 -0.155 0.000 1.006 141 S CA 1.221 59.349 58.200 -0.120 0.000 0.957 141 S CB -0.606 62.524 63.200 -0.116 0.000 0.773 141 S HN 0.828 nan 8.310 nan 0.000 0.507 142 L N -1.722 119.415 121.223 -0.143 0.000 2.818 142 L HA 0.786 5.126 4.340 0.001 0.000 0.243 142 L C 1.674 178.469 176.870 -0.126 0.000 1.185 142 L CA 0.077 54.815 54.840 -0.170 0.000 0.988 142 L CB -0.320 41.604 42.059 -0.225 0.000 1.292 142 L HN 0.116 nan 8.230 nan 0.000 0.519 143 A N 0.851 123.602 122.820 -0.115 0.000 1.929 143 A HA 0.152 4.472 4.320 0.001 0.000 0.216 143 A C 0.022 177.513 177.584 -0.155 0.000 1.176 143 A CA 1.221 53.191 52.037 -0.111 0.000 0.628 143 A CB -1.453 17.488 19.000 -0.098 0.000 0.816 143 A HN 0.476 nan 8.150 nan 0.000 0.444 144 P HA -0.048 nan 4.420 nan 0.000 0.217 144 P C 1.689 178.811 177.300 -0.296 0.000 1.151 144 P CA 1.671 64.582 63.100 -0.316 0.000 0.828 144 P CB -0.082 31.473 31.700 -0.242 0.000 0.788 145 A N -0.354 122.406 122.820 -0.100 0.000 1.908 145 A HA -0.192 4.128 4.320 0.001 0.000 0.218 145 A C 2.211 179.812 177.584 0.029 0.000 1.181 145 A CA 1.540 53.592 52.037 0.024 0.000 0.627 145 A CB -1.659 17.307 19.000 -0.056 0.000 0.818 145 A HN 0.111 nan 8.150 nan 0.000 0.445 146 I N -1.199 119.350 120.570 -0.034 0.000 2.179 146 I HA -0.260 3.911 4.170 0.001 0.000 0.242 146 I C 2.737 178.834 176.117 -0.033 0.000 1.088 146 I CA 1.581 62.873 61.300 -0.014 0.000 1.357 146 I CB -0.341 37.640 38.000 -0.032 0.000 1.051 146 I HN 0.335 nan 8.210 nan 0.000 0.409 147 R N 0.310 120.737 120.500 -0.122 0.000 2.103 147 R HA -0.220 4.121 4.340 0.001 0.000 0.242 147 R C 2.418 178.665 176.300 -0.089 0.000 1.142 147 R CA 1.997 57.998 56.100 -0.164 0.000 0.960 147 R CB -0.409 29.702 30.300 -0.315 0.000 0.858 147 R HN 0.386 nan 8.270 nan 0.000 0.439 148 Y N -0.536 119.772 120.300 0.013 0.000 2.242 148 Y HA -0.152 4.398 4.550 0.001 0.000 0.291 148 Y C 2.458 178.412 175.900 0.090 0.000 1.137 148 Y CA 0.579 58.715 58.100 0.060 0.000 1.181 148 Y CB -0.062 38.416 38.460 0.029 0.000 0.989 148 Y HN 0.247 nan 8.280 nan 0.000 0.527 149 A N 0.043 122.980 122.820 0.196 0.000 1.929 149 A HA -0.163 4.157 4.320 0.001 0.000 0.216 149 A C 1.962 179.537 177.584 -0.014 0.000 1.176 149 A CA 1.567 53.657 52.037 0.088 0.000 0.628 149 A CB -0.393 18.677 19.000 0.117 0.000 0.816 149 A HN 0.449 nan 8.150 nan 0.000 0.444 150 E N -0.688 119.514 120.200 0.003 0.000 2.076 150 E HA -0.117 4.234 4.350 0.001 0.000 0.190 150 E C 1.911 178.491 176.600 -0.034 0.000 0.979 150 E CA 1.091 57.473 56.400 -0.030 0.000 0.807 150 E CB -0.001 29.685 29.700 -0.024 0.000 0.761 150 E HN 0.729 nan 8.360 nan 0.000 0.454 151 E N -0.427 119.778 120.200 0.008 0.000 2.190 151 E HA 0.121 4.471 4.350 0.001 0.000 0.191 151 E C 0.626 177.245 176.600 0.032 0.000 0.978 151 E CA 0.356 56.768 56.400 0.019 0.000 0.839 151 E CB 0.657 30.381 29.700 0.039 0.000 0.787 151 E HN 0.217 nan 8.360 nan 0.000 0.473 152 G N 0.500 109.353 108.800 0.088 0.000 2.661 152 G HA2 -0.159 3.801 3.960 0.001 0.000 0.685 152 G HA3 -0.159 3.801 3.960 0.001 0.000 0.685 152 G C -1.167 173.878 174.900 0.242 0.000 1.298 152 G CA -0.433 44.709 45.100 0.071 0.000 0.855 152 G HN 0.241 nan 8.290 nan 0.000 0.560 153 Y N -2.650 117.713 120.300 0.106 0.000 2.552 153 Y HA 0.780 5.331 4.550 0.000 0.000 0.337 153 Y C -2.739 173.220 175.900 0.098 0.000 1.094 153 Y CA -2.440 55.715 58.100 0.092 0.000 1.028 153 Y CB 1.583 40.070 38.460 0.046 0.000 1.321 153 Y HN 0.622 nan 8.280 nan 0.000 0.456 154 P HA 0.127 nan 4.420 nan 0.000 0.276 154 P C -0.503 176.898 177.300 0.167 0.000 1.230 154 P CA -0.120 63.033 63.100 0.089 0.000 0.776 154 P CB 1.843 33.592 31.700 0.082 0.000 0.888 155 V N 3.908 123.863 119.914 0.068 0.000 2.488 155 V HA 0.138 4.258 4.120 0.001 0.000 0.277 155 V C 1.415 177.577 176.094 0.113 0.000 1.046 155 V CA -0.031 62.343 62.300 0.124 0.000 0.986 155 V CB 0.450 32.267 31.823 -0.010 0.000 0.989 155 V HN 0.728 nan 8.190 nan 0.000 0.475 156 T N 3.622 118.267 114.554 0.153 0.000 2.899 156 T HA 0.260 4.610 4.350 0.001 0.000 0.295 156 T C -1.561 173.203 174.700 0.107 0.000 1.033 156 T CA -1.591 60.577 62.100 0.112 0.000 1.084 156 T CB 1.360 70.292 68.868 0.106 0.000 0.979 156 T HN 0.425 nan 8.240 nan 0.000 0.532 157 P HA -0.130 nan 4.420 nan 0.000 0.216 157 P C 1.647 179.009 177.300 0.103 0.000 1.157 157 P CA 1.469 64.615 63.100 0.075 0.000 0.880 157 P CB -0.298 31.444 31.700 0.070 0.000 0.791 158 T N -0.136 114.498 114.554 0.133 0.000 2.674 158 T HA -0.150 4.200 4.350 0.001 0.000 0.265 158 T C 1.727 176.591 174.700 0.273 0.000 1.039 158 T CA 1.073 63.285 62.100 0.186 0.000 1.150 158 T CB -1.074 67.905 68.868 0.185 0.000 0.864 158 T HN 0.001 nan 8.240 nan 0.000 0.427 159 L N 1.588 122.953 121.223 0.237 0.000 2.042 159 L HA -0.026 4.314 4.340 0.001 0.000 0.210 159 L C 2.636 179.712 176.870 0.344 0.000 1.076 159 L CA 1.925 56.935 54.840 0.283 0.000 0.749 159 L CB -1.056 41.163 42.059 0.267 0.000 0.893 159 L HN 0.254 nan 8.230 nan 0.000 0.432 160 A N -0.631 122.332 122.820 0.237 0.000 1.908 160 A HA -0.286 4.034 4.320 0.001 0.000 0.218 160 A C 2.469 180.151 177.584 0.165 0.000 1.181 160 A CA 2.095 54.235 52.037 0.171 0.000 0.627 160 A CB -0.705 18.331 19.000 0.061 0.000 0.818 160 A HN 0.511 nan 8.150 nan 0.000 0.445 161 K N -1.327 119.131 120.400 0.096 0.000 2.009 161 K HA -0.206 4.114 4.320 0.001 0.000 0.210 161 K C 1.837 178.405 176.600 -0.053 0.000 1.049 161 K CA 2.061 58.322 56.287 -0.044 0.000 0.929 161 K CB -0.372 32.008 32.500 -0.200 0.000 0.714 161 K HN 0.588 nan 8.250 nan 0.000 0.440 162 Y N -1.261 119.114 120.300 0.125 0.000 2.373 162 Y HA -0.197 4.353 4.550 0.000 0.000 0.293 162 Y C 2.237 178.274 175.900 0.227 0.000 1.129 162 Y CA 0.746 58.914 58.100 0.114 0.000 1.226 162 Y CB -0.174 38.308 38.460 0.036 0.000 1.000 162 Y HN 0.314 nan 8.280 nan 0.000 0.549 163 W N 1.410 122.850 121.300 0.234 0.000 2.418 163 W HA -0.110 4.551 4.660 0.001 0.000 0.292 163 W C 1.800 178.429 176.519 0.183 0.000 1.213 163 W CA 1.382 58.877 57.345 0.249 0.000 1.283 163 W CB -0.292 29.243 29.460 0.125 0.000 1.119 163 W HN 0.024 nan 8.180 nan 0.000 0.542 164 K N -0.138 120.479 120.400 0.361 0.000 2.057 164 K HA -0.104 4.216 4.320 0.001 0.000 0.206 164 K C 2.155 178.878 176.600 0.206 0.000 1.050 164 K CA 1.370 57.797 56.287 0.234 0.000 0.935 164 K CB -0.397 32.169 32.500 0.110 0.000 0.715 164 K HN 0.011 nan 8.250 nan 0.000 0.439 165 A N 1.411 124.311 122.820 0.134 0.000 1.902 165 A HA -0.126 4.194 4.320 0.001 0.000 0.217 165 A C 2.303 179.901 177.584 0.024 0.000 1.181 165 A CA 1.936 54.002 52.037 0.048 0.000 0.623 165 A CB -0.527 18.474 19.000 0.001 0.000 0.818 165 A HN 0.343 nan 8.150 nan 0.000 0.443 166 A N -2.054 120.830 122.820 0.106 0.000 2.014 166 A HA 0.012 4.332 4.320 0.001 0.000 0.218 166 A C 2.049 179.534 177.584 -0.164 0.000 1.163 166 A CA 1.394 53.401 52.037 -0.048 0.000 0.652 166 A CB -0.610 18.485 19.000 0.160 0.000 0.808 166 A HN 0.715 nan 8.150 nan 0.000 0.449 167 Y N 0.739 121.051 120.300 0.019 0.000 2.130 167 Y HA -0.162 4.388 4.550 0.001 0.000 0.287 167 Y C 1.947 177.813 175.900 -0.056 0.000 1.124 167 Y CA 1.830 59.964 58.100 0.056 0.000 1.118 167 Y CB -0.026 38.565 38.460 0.218 0.000 0.994 167 Y HN 0.298 nan 8.280 nan 0.000 0.497 168 D N 0.101 120.481 120.400 -0.033 0.000 2.149 168 D HA -0.202 4.438 4.640 0.001 0.000 0.198 168 D C 2.141 178.296 176.300 -0.241 0.000 0.990 168 D CA 1.562 55.483 54.000 -0.130 0.000 0.839 168 D CB -0.358 40.442 40.800 0.001 0.000 0.948 168 D HN 0.356 nan 8.370 nan 0.000 0.460 169 R N 0.193 120.534 120.500 -0.266 0.000 2.148 169 R HA -0.007 4.333 4.340 0.001 0.000 0.223 169 R C 1.647 177.650 176.300 -0.494 0.000 1.088 169 R CA 0.765 56.674 56.100 -0.318 0.000 0.985 169 R CB 0.077 30.204 30.300 -0.288 0.000 0.880 169 R HN -0.000 nan 8.270 nan 0.000 0.451 170 V N 0.424 119.922 119.914 -0.694 0.000 3.431 170 V HA 0.007 4.127 4.120 0.001 0.000 0.253 170 V C 1.857 177.584 176.094 -0.612 0.000 1.184 170 V CA 0.880 62.518 62.300 -1.102 0.000 1.104 170 V CB 0.509 31.193 31.823 -1.898 0.000 0.799 170 V HN 0.277 nan 8.190 nan 0.000 0.462 171 K N 1.616 121.746 120.400 -0.450 0.000 2.113 171 K HA -0.214 4.107 4.320 0.001 0.000 0.208 171 K C 1.989 178.459 176.600 -0.216 0.000 1.047 171 K CA 2.538 58.644 56.287 -0.303 0.000 0.928 171 K CB -0.463 31.676 32.500 -0.603 0.000 0.716 171 K HN 0.600 nan 8.250 nan 0.000 0.446 172 T N -2.802 111.613 114.554 -0.231 0.000 3.009 172 T HA 0.094 4.444 4.350 0.001 0.000 0.258 172 T C 1.592 176.223 174.700 -0.116 0.000 1.063 172 T CA 0.600 62.610 62.100 -0.149 0.000 1.139 172 T CB -0.079 68.709 68.868 -0.133 0.000 0.890 172 T HN 0.296 nan 8.240 nan 0.000 0.471 173 E N -0.385 119.698 120.200 -0.196 0.000 2.230 173 E HA 0.030 4.380 4.350 0.001 0.000 0.192 173 E C -0.279 176.348 176.600 0.046 0.000 0.987 173 E CA 0.249 56.575 56.400 -0.122 0.000 0.841 173 E CB 0.201 29.753 29.700 -0.245 0.000 0.783 173 E HN 0.533 nan 8.360 nan 0.000 0.481 174 W N 2.232 123.355 121.300 -0.296 0.000 2.147 174 W HA 0.200 4.861 4.660 0.000 0.000 0.325 174 W C -0.313 176.208 176.519 0.003 0.000 0.855 174 W CA -0.935 56.180 57.345 -0.383 0.000 1.642 174 W CB -0.192 28.797 29.460 -0.785 0.000 1.750 174 W HN -0.193 nan 8.180 nan 0.000 0.359 175 T N -0.819 113.877 114.554 0.237 0.000 3.254 175 T HA 0.402 4.752 4.350 0.001 0.000 0.385 175 T C -0.582 174.252 174.700 0.223 0.000 1.528 175 T CA -0.338 61.870 62.100 0.181 0.000 1.212 175 T CB 1.248 70.166 68.868 0.083 0.000 1.145 175 T HN 0.122 nan 8.240 nan 0.000 0.631 176 D N 0.755 121.340 120.400 0.307 0.000 2.615 176 D HA 0.224 4.865 4.640 0.001 0.000 0.267 176 D C -0.197 176.195 176.300 0.153 0.000 1.236 176 D CA -0.475 53.651 54.000 0.210 0.000 0.839 176 D CB 2.564 43.486 40.800 0.202 0.000 1.380 176 D HN 0.129 nan 8.370 nan 0.000 0.433 177 D N -0.069 120.370 120.400 0.065 0.000 2.144 177 D HA -0.075 4.565 4.640 0.001 0.000 0.200 177 D C 2.065 178.308 176.300 -0.096 0.000 0.978 177 D CA 1.218 55.262 54.000 0.074 0.000 0.833 177 D CB 0.235 41.158 40.800 0.205 0.000 0.961 177 D HN 0.243 nan 8.370 nan 0.000 0.470 178 V N -0.448 119.190 119.914 -0.460 0.000 2.469 178 V HA -0.257 3.863 4.120 0.001 0.000 0.251 178 V C 1.546 177.458 176.094 -0.304 0.000 1.064 178 V CA 1.399 63.291 62.300 -0.680 0.000 1.066 178 V CB -1.189 30.035 31.823 -0.998 0.000 0.667 178 V HN 0.203 nan 8.190 nan 0.000 0.461 179 Y N 0.072 120.380 120.300 0.014 0.000 2.511 179 Y HA 0.163 4.714 4.550 0.000 0.000 0.279 179 Y C 2.498 178.659 175.900 0.436 0.000 1.157 179 Y CA 0.414 58.589 58.100 0.125 0.000 1.300 179 Y CB -0.482 38.059 38.460 0.134 0.000 1.052 179 Y HN 0.231 nan 8.280 nan 0.000 0.529 180 Q N 1.397 121.481 119.800 0.473 0.000 2.061 180 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 180 Q C -0.805 175.449 176.000 0.423 0.000 0.984 180 Q CA 2.049 58.136 55.803 0.474 0.000 0.846 180 Q CB -1.281 27.628 28.738 0.285 0.000 0.902 180 Q HN 0.207 nan 8.270 nan 0.000 0.421 181 P HA -0.125 nan 4.420 nan 0.000 0.220 181 P C 0.351 177.762 177.300 0.185 0.000 1.148 181 P CA 1.093 64.274 63.100 0.136 0.000 0.803 181 P CB -0.336 31.325 31.700 -0.065 0.000 0.782 182 W N -0.234 121.149 121.300 0.139 0.000 2.333 182 W HA -0.195 4.466 4.660 0.001 0.000 0.316 182 W C 1.755 178.362 176.519 0.147 0.000 1.215 182 W CA 1.469 58.913 57.345 0.166 0.000 1.278 182 W CB -0.889 28.660 29.460 0.149 0.000 1.154 182 W HN -0.185 nan 8.180 nan 0.000 0.486 183 F N 0.874 121.192 119.950 0.614 0.000 2.234 183 F HA -0.204 4.323 4.527 0.000 0.000 0.299 183 F C 2.171 178.075 175.800 0.174 0.000 1.087 183 F CA 1.775 60.042 58.000 0.445 0.000 1.340 183 F CB -0.860 38.421 39.000 0.468 0.000 1.031 183 F HN -0.164 nan 8.300 nan 0.000 0.500 184 D N -0.722 119.855 120.400 0.294 0.000 2.123 184 D HA -0.097 4.543 4.640 0.001 0.000 0.200 184 D C 2.265 178.586 176.300 0.034 0.000 0.976 184 D CA 1.667 55.754 54.000 0.143 0.000 0.831 184 D CB -0.639 40.228 40.800 0.111 0.000 0.974 184 D HN 0.192 nan 8.370 nan 0.000 0.469 185 T N -0.070 114.422 114.554 -0.102 0.000 2.770 185 T HA -0.019 4.331 4.350 0.001 0.000 0.258 185 T C 1.493 176.096 174.700 -0.161 0.000 1.039 185 T CA 0.662 62.604 62.100 -0.263 0.000 1.143 185 T CB -0.213 68.265 68.868 -0.650 0.000 0.866 185 T HN 0.047 nan 8.240 nan 0.000 0.428 186 F N 0.980 120.857 119.950 -0.122 0.000 2.746 186 F HA 0.545 5.073 4.527 0.001 0.000 0.297 186 F C 1.451 177.168 175.800 -0.137 0.000 1.113 186 F CA -0.719 57.163 58.000 -0.198 0.000 1.367 186 F CB 0.207 38.597 39.000 -1.018 0.000 1.111 186 F HN 0.079 nan 8.300 nan 0.000 0.590 187 A N 0.794 123.620 122.820 0.010 0.000 3.253 187 A HA 0.413 4.733 4.320 0.001 0.000 0.290 187 A C -1.784 175.849 177.584 0.082 0.000 0.950 187 A CA -0.767 51.287 52.037 0.028 0.000 0.986 187 A CB -0.311 18.800 19.000 0.184 0.000 1.104 187 A HN -0.052 nan 8.150 nan 0.000 0.481 188 P HA -0.047 nan 4.420 nan 0.000 0.229 188 P C 0.653 177.972 177.300 0.032 0.000 1.160 188 P CA 1.033 64.177 63.100 0.073 0.000 0.777 188 P CB 0.270 32.012 31.700 0.069 0.000 0.814 189 K N -0.577 119.816 120.400 -0.010 0.000 2.446 189 K HA 0.356 4.676 4.320 0.001 0.000 0.203 189 K C 1.091 177.671 176.600 -0.033 0.000 1.027 189 K CA 0.472 56.740 56.287 -0.031 0.000 1.166 189 K CB -0.542 31.920 32.500 -0.064 0.000 0.869 189 K HN 0.085 nan 8.250 nan 0.000 0.504 190 G N 1.889 110.689 108.800 -0.000 0.000 2.143 190 G HA2 -0.296 3.664 3.960 0.001 0.000 0.248 190 G HA3 -0.296 3.664 3.960 0.001 0.000 0.248 190 G C -0.120 174.731 174.900 -0.082 0.000 0.991 190 G CA 0.722 45.843 45.100 0.035 0.000 0.689 190 G HN 0.342 nan 8.290 nan 0.000 0.522 191 R N -1.127 119.182 120.500 -0.318 0.000 2.747 191 R HA 0.789 5.129 4.340 0.001 0.000 0.272 191 R C -0.291 175.573 176.300 -0.727 0.000 1.032 191 R CA -0.097 55.551 56.100 -0.755 0.000 0.896 191 R CB 0.319 30.395 30.300 -0.373 0.000 1.253 191 R HN 1.255 nan 8.270 nan 0.000 0.461 192 A N 1.743 124.110 122.820 -0.756 0.000 2.388 192 A HA 0.549 4.869 4.320 0.001 0.000 0.257 192 A C -2.149 175.116 177.584 -0.531 0.000 1.095 192 A CA -1.381 50.328 52.037 -0.547 0.000 0.791 192 A CB -0.279 18.591 19.000 -0.216 0.000 1.029 192 A HN 0.508 nan 8.150 nan 0.000 0.489 193 P HA 0.108 nan 4.420 nan 0.000 0.265 193 P C -0.114 176.973 177.300 -0.355 0.000 1.187 193 P CA 0.352 63.113 63.100 -0.565 0.000 0.766 193 P CB 0.431 31.628 31.700 -0.839 0.000 0.820 194 R N 1.140 121.507 120.500 -0.222 0.000 2.541 194 R HA 0.404 4.744 4.340 0.001 0.000 0.263 194 R C -0.356 175.885 176.300 -0.098 0.000 1.112 194 R CA -1.145 54.876 56.100 -0.132 0.000 1.170 194 R CB 0.259 30.500 30.300 -0.098 0.000 1.167 194 R HN 0.202 nan 8.270 nan 0.000 0.582 195 V N 1.384 121.265 119.914 -0.055 0.000 2.529 195 V HA 0.128 4.249 4.120 0.001 0.000 0.292 195 V C 1.422 177.499 176.094 -0.028 0.000 1.028 195 V CA 1.414 63.699 62.300 -0.026 0.000 1.074 195 V CB 0.351 32.165 31.823 -0.014 0.000 0.958 195 V HN 1.125 nan 8.190 nan 0.000 0.481 196 G N 3.243 112.035 108.800 -0.013 0.000 2.225 196 G HA2 -0.266 3.694 3.960 0.001 0.000 0.254 196 G HA3 -0.266 3.694 3.960 0.001 0.000 0.254 196 G C 0.274 175.160 174.900 -0.024 0.000 0.988 196 G CA 0.366 45.460 45.100 -0.009 0.000 0.625 196 G HN 0.761 nan 8.290 nan 0.000 0.527 197 E N 0.469 120.638 120.200 -0.053 0.000 2.373 197 E HA 0.430 4.780 4.350 0.001 0.000 0.267 197 E C 0.210 176.762 176.600 -0.081 0.000 1.032 197 E CA -0.445 55.912 56.400 -0.072 0.000 0.889 197 E CB 0.889 30.525 29.700 -0.107 0.000 0.984 197 E HN 0.101 nan 8.360 nan 0.000 0.425 198 V N 5.446 125.317 119.914 -0.072 0.000 2.498 198 V HA 0.116 4.236 4.120 0.001 0.000 0.279 198 V C -0.467 175.571 176.094 -0.094 0.000 1.048 198 V CA -0.110 62.138 62.300 -0.087 0.000 0.967 198 V CB 0.548 32.336 31.823 -0.060 0.000 0.988 198 V HN 0.646 nan 8.190 nan 0.000 0.473 199 W N 7.555 128.615 121.300 -0.400 0.000 2.666 199 W HA 0.748 5.408 4.660 0.001 0.000 0.334 199 W C -0.130 176.215 176.519 -0.290 0.000 1.051 199 W CA -0.888 56.237 57.345 -0.367 0.000 1.224 199 W CB 1.167 30.353 29.460 -0.456 0.000 1.405 199 W HN 0.632 nan 8.180 nan 0.000 0.513 200 R N 3.072 122.885 120.500 -1.144 0.000 2.817 200 R HA 0.820 5.161 4.340 0.001 0.000 0.268 200 R C -1.555 173.941 176.300 -1.340 0.000 1.027 200 R CA -1.202 54.292 56.100 -1.011 0.000 0.928 200 R CB 1.849 31.879 30.300 -0.449 0.000 1.228 200 R HN 0.312 nan 8.270 nan 0.000 0.469 201 S N 0.138 115.349 115.700 -0.814 0.000 2.511 201 S HA 0.058 4.529 4.470 0.001 0.000 0.233 201 S C 0.073 174.587 174.600 -0.143 0.000 1.104 201 S CA -0.593 57.332 58.200 -0.459 0.000 1.129 201 S CB 1.413 64.419 63.200 -0.323 0.000 1.159 201 S HN 0.681 nan 8.310 nan 0.000 0.451 202 Q N 2.896 122.623 119.800 -0.121 0.000 2.181 202 Q HA -0.076 4.265 4.340 0.001 0.000 0.205 202 Q C 1.951 177.952 176.000 0.001 0.000 0.980 202 Q CA 2.060 57.833 55.803 -0.050 0.000 0.862 202 Q CB -0.576 28.130 28.738 -0.054 0.000 0.905 202 Q HN 0.916 nan 8.270 nan 0.000 0.429 203 G N -0.345 108.462 108.800 0.012 0.000 2.545 203 G HA2 -0.304 3.656 3.960 0.001 0.000 0.217 203 G HA3 -0.304 3.656 3.960 0.001 0.000 0.217 203 G C 1.081 176.017 174.900 0.060 0.000 1.218 203 G CA 1.299 46.413 45.100 0.023 0.000 0.787 203 G HN 0.432 nan 8.290 nan 0.000 0.571 204 H N 0.828 119.920 119.070 0.036 0.000 2.319 204 H HA 0.018 4.574 4.556 0.000 0.000 0.297 204 H C 2.878 178.249 175.328 0.072 0.000 1.097 204 H CA 1.791 57.898 56.048 0.099 0.000 1.285 204 H CB -0.277 29.579 29.762 0.157 0.000 1.368 204 H HN 0.409 nan 8.280 nan 0.000 0.495 205 A N 0.736 123.652 122.820 0.159 0.000 1.883 205 A HA -0.218 4.102 4.320 0.001 0.000 0.217 205 A C 1.983 179.604 177.584 0.061 0.000 1.186 205 A CA 2.009 54.097 52.037 0.084 0.000 0.624 205 A CB -0.443 18.581 19.000 0.039 0.000 0.822 205 A HN 0.362 nan 8.150 nan 0.000 0.444 206 D N -1.108 119.322 120.400 0.049 0.000 2.104 206 D HA -0.128 4.512 4.640 0.001 0.000 0.194 206 D C 2.105 178.437 176.300 0.054 0.000 0.994 206 D CA 2.051 56.074 54.000 0.038 0.000 0.830 206 D CB -0.705 40.111 40.800 0.026 0.000 0.959 206 D HN 0.456 nan 8.370 nan 0.000 0.452 207 T N -0.191 114.403 114.554 0.065 0.000 2.904 207 T HA -0.033 4.318 4.350 0.001 0.000 0.267 207 T C 2.189 176.958 174.700 0.115 0.000 1.059 207 T CA 0.460 62.614 62.100 0.091 0.000 1.137 207 T CB -0.210 68.716 68.868 0.096 0.000 0.879 207 T HN 0.032 nan 8.240 nan 0.000 0.467 208 L N 0.204 121.492 121.223 0.109 0.000 2.056 208 L HA 0.042 4.382 4.340 0.001 0.000 0.207 208 L C 2.968 179.882 176.870 0.073 0.000 1.078 208 L CA 1.460 56.362 54.840 0.103 0.000 0.749 208 L CB -0.435 41.669 42.059 0.076 0.000 0.901 208 L HN 0.215 nan 8.230 nan 0.000 0.433 209 R N -0.460 120.073 120.500 0.055 0.000 2.091 209 R HA -0.192 4.148 4.340 0.001 0.000 0.238 209 R C 2.582 178.914 176.300 0.053 0.000 1.136 209 R CA 1.732 57.856 56.100 0.040 0.000 0.959 209 R CB -0.311 30.005 30.300 0.028 0.000 0.856 209 R HN 0.156 nan 8.270 nan 0.000 0.437 210 S N 0.218 115.959 115.700 0.067 0.000 2.382 210 S HA -0.087 4.383 4.470 0.001 0.000 0.228 210 S C 1.830 176.488 174.600 0.097 0.000 1.027 210 S CA 1.408 59.654 58.200 0.076 0.000 0.991 210 S CB -0.287 62.961 63.200 0.079 0.000 0.823 210 S HN 0.516 nan 8.310 nan 0.000 0.469 211 I N -0.880 119.763 120.570 0.122 0.000 2.876 211 I HA 0.211 4.382 4.170 0.001 0.000 0.264 211 I C 2.308 178.503 176.117 0.128 0.000 1.204 211 I CA 0.877 62.265 61.300 0.147 0.000 1.485 211 I CB -0.859 37.252 38.000 0.184 0.000 1.103 211 I HN 0.248 nan 8.210 nan 0.000 0.446 212 A N 2.085 124.961 122.820 0.093 0.000 1.873 212 A HA -0.148 4.172 4.320 0.001 0.000 0.215 212 A C 2.172 179.789 177.584 0.055 0.000 1.186 212 A CA 1.589 53.663 52.037 0.061 0.000 0.616 212 A CB -0.584 18.433 19.000 0.029 0.000 0.823 212 A HN 0.538 nan 8.150 nan 0.000 0.442 213 E N -0.023 120.208 120.200 0.052 0.000 2.435 213 E HA -0.041 4.309 4.350 0.001 0.000 0.195 213 E C 1.548 178.179 176.600 0.051 0.000 1.029 213 E CA 0.839 57.265 56.400 0.043 0.000 0.865 213 E CB 0.034 29.756 29.700 0.035 0.000 0.833 213 E HN 0.734 nan 8.360 nan 0.000 0.510 214 S N -0.335 115.407 115.700 0.070 0.000 2.559 214 S HA 0.085 4.555 4.470 0.001 0.000 0.226 214 S C 0.466 175.119 174.600 0.089 0.000 1.000 214 S CA -0.494 57.752 58.200 0.076 0.000 0.948 214 S CB 0.249 63.502 63.200 0.088 0.000 0.870 214 S HN 0.075 nan 8.310 nan 0.000 0.497 215 N N 1.711 120.466 118.700 0.091 0.000 2.727 215 N HA -0.181 4.559 4.740 0.001 0.000 0.249 215 N C 0.902 176.498 175.510 0.144 0.000 1.048 215 N CA 1.122 54.234 53.050 0.103 0.000 0.714 215 N CB -1.755 36.777 38.487 0.075 0.000 0.959 215 N HN 1.142 nan 8.380 nan 0.000 0.544 216 G N -0.885 108.019 108.800 0.174 0.000 2.184 216 G HA2 -0.391 3.569 3.960 0.001 0.000 0.264 216 G HA3 -0.391 3.569 3.960 0.001 0.000 0.264 216 G C 0.789 175.868 174.900 0.299 0.000 0.975 216 G CA 0.958 46.199 45.100 0.234 0.000 0.642 216 G HN 0.501 nan 8.290 nan 0.000 0.536 217 E N 0.695 121.023 120.200 0.213 0.000 2.106 217 E HA 0.039 4.390 4.350 0.001 0.000 0.192 217 E C 2.558 179.265 176.600 0.178 0.000 0.984 217 E CA 1.516 58.035 56.400 0.198 0.000 0.806 217 E CB -0.384 29.390 29.700 0.122 0.000 0.750 217 E HN 0.448 nan 8.360 nan 0.000 0.458 218 S N -1.043 114.745 115.700 0.147 0.000 2.383 218 S HA -0.176 4.294 4.470 0.001 0.000 0.229 218 S C 1.727 176.382 174.600 0.092 0.000 1.030 218 S CA 1.151 59.417 58.200 0.109 0.000 1.002 218 S CB -0.411 62.852 63.200 0.105 0.000 0.829 218 S HN 0.426 nan 8.310 nan 0.000 0.467 219 F N 0.102 120.003 119.950 -0.081 0.000 2.206 219 F HA 0.098 4.625 4.527 0.000 0.000 0.298 219 F C 1.444 177.019 175.800 -0.376 0.000 1.090 219 F CA 1.160 58.987 58.000 -0.289 0.000 1.323 219 F CB -0.096 38.599 39.000 -0.508 0.000 1.028 219 F HN 0.277 nan 8.300 nan 0.000 0.492 220 Y N -0.043 120.345 120.300 0.146 0.000 2.464 220 Y HA 0.195 4.746 4.550 0.000 0.000 0.288 220 Y C 1.231 177.138 175.900 0.011 0.000 1.133 220 Y CA 0.481 58.626 58.100 0.074 0.000 1.223 220 Y CB -0.061 38.506 38.460 0.179 0.000 1.187 220 Y HN -0.137 nan 8.280 nan 0.000 0.539 221 R N -0.364 120.243 120.500 0.178 0.000 2.688 221 R HA 0.577 4.918 4.340 0.001 0.000 0.396 221 R C 0.046 176.380 176.300 0.056 0.000 1.081 221 R CA 0.160 56.313 56.100 0.089 0.000 1.093 221 R CB 0.282 30.635 30.300 0.088 0.000 1.338 221 R HN 0.243 nan 8.270 nan 0.000 0.613 222 G N 0.272 109.095 108.800 0.039 0.000 3.137 222 G HA2 0.064 4.025 3.960 0.001 0.000 0.196 222 G HA3 0.064 4.025 3.960 0.001 0.000 0.196 222 G C -0.265 174.641 174.900 0.009 0.000 1.135 222 G CA -0.357 44.761 45.100 0.031 0.000 0.803 222 G HN 0.049 nan 8.290 nan 0.000 0.619 223 E N -0.564 119.646 120.200 0.017 0.000 2.107 223 E HA 0.018 4.368 4.350 0.001 0.000 0.191 223 E C 2.550 179.148 176.600 -0.003 0.000 0.982 223 E CA 0.579 56.987 56.400 0.012 0.000 0.809 223 E CB -0.058 29.656 29.700 0.022 0.000 0.756 223 E HN 0.368 nan 8.360 nan 0.000 0.459 224 L N 0.208 121.422 121.223 -0.015 0.000 2.156 224 L HA -0.089 4.251 4.340 0.001 0.000 0.208 224 L C 2.597 179.368 176.870 -0.164 0.000 1.095 224 L CA 0.825 55.629 54.840 -0.061 0.000 0.770 224 L CB -0.374 41.671 42.059 -0.024 0.000 0.914 224 L HN 0.092 nan 8.230 nan 0.000 0.439 225 A N 0.002 122.717 122.820 -0.175 0.000 1.933 225 A HA -0.222 4.098 4.320 0.001 0.000 0.218 225 A C 1.897 179.438 177.584 -0.072 0.000 1.175 225 A CA 1.936 53.855 52.037 -0.197 0.000 0.628 225 A CB -0.404 18.521 19.000 -0.125 0.000 0.814 225 A HN 0.348 nan 8.150 nan 0.000 0.444 226 D N -0.461 119.926 120.400 -0.021 0.000 2.123 226 D HA -0.119 4.521 4.640 0.001 0.000 0.200 226 D C 2.179 178.533 176.300 0.090 0.000 0.976 226 D CA 1.259 55.287 54.000 0.047 0.000 0.831 226 D CB -0.452 40.368 40.800 0.034 0.000 0.974 226 D HN 0.592 nan 8.370 nan 0.000 0.469 227 Q N 0.089 119.917 119.800 0.047 0.000 2.124 227 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 227 Q C 2.443 178.510 176.000 0.111 0.000 0.977 227 Q CA 0.706 56.549 55.803 0.067 0.000 0.850 227 Q CB 0.025 28.780 28.738 0.028 0.000 0.901 227 Q HN 0.350 nan 8.270 nan 0.000 0.429 228 I N -0.286 120.316 120.570 0.054 0.000 2.202 228 I HA -0.294 3.876 4.170 0.001 0.000 0.242 228 I C 2.437 178.688 176.117 0.222 0.000 1.091 228 I CA 1.466 62.826 61.300 0.100 0.000 1.368 228 I CB -0.298 37.613 38.000 -0.148 0.000 1.058 228 I HN 0.256 nan 8.210 nan 0.000 0.410 229 H N 1.124 120.219 119.070 0.042 0.000 2.353 229 H HA -0.129 4.428 4.556 0.000 0.000 0.300 229 H C 2.116 177.526 175.328 0.136 0.000 1.090 229 H CA 1.775 57.856 56.048 0.055 0.000 1.327 229 H CB -0.011 29.751 29.762 -0.000 0.000 1.383 229 H HN 0.291 nan 8.280 nan 0.000 0.508 230 A N -0.002 122.862 122.820 0.074 0.000 1.877 230 A HA -0.140 4.181 4.320 0.001 0.000 0.216 230 A C 2.342 179.971 177.584 0.074 0.000 1.186 230 A CA 1.425 53.478 52.037 0.026 0.000 0.620 230 A CB -1.237 17.828 19.000 0.108 0.000 0.822 230 A HN 0.567 nan 8.150 nan 0.000 0.443 231 F N -0.889 119.098 119.950 0.063 0.000 2.234 231 F HA -0.059 4.468 4.527 0.000 0.000 0.299 231 F C 1.808 177.650 175.800 0.071 0.000 1.087 231 F CA 1.307 59.358 58.000 0.084 0.000 1.340 231 F CB -0.226 38.821 39.000 0.079 0.000 1.031 231 F HN 0.224 nan 8.300 nan 0.000 0.500 232 F N 0.202 120.153 119.950 0.002 0.000 2.234 232 F HA -0.109 4.418 4.527 0.000 0.000 0.296 232 F C 2.274 177.950 175.800 -0.206 0.000 1.089 232 F CA 1.534 59.480 58.000 -0.090 0.000 1.343 232 F CB -0.524 38.462 39.000 -0.024 0.000 1.040 232 F HN -0.042 nan 8.300 nan 0.000 0.498 233 D N 0.174 120.507 120.400 -0.112 0.000 2.178 233 D HA -0.192 4.448 4.640 0.001 0.000 0.202 233 D C 2.114 178.274 176.300 -0.232 0.000 0.974 233 D CA 1.056 54.924 54.000 -0.219 0.000 0.841 233 D CB -0.051 40.539 40.800 -0.350 0.000 0.953 233 D HN 0.044 nan 8.370 nan 0.000 0.478 234 K N -1.205 119.026 120.400 -0.281 0.000 2.283 234 K HA -0.103 4.218 4.320 0.001 0.000 0.202 234 K C 0.487 176.684 176.600 -0.671 0.000 1.048 234 K CA 0.942 56.968 56.287 -0.434 0.000 0.948 234 K CB 0.042 32.268 32.500 -0.457 0.000 0.742 234 K HN 0.322 nan 8.250 nan 0.000 0.458 235 H N -1.775 117.041 119.070 -0.423 0.000 2.512 235 H HA 0.242 4.798 4.556 0.000 0.000 0.276 235 H C 0.128 175.270 175.328 -0.310 0.000 1.126 235 H CA 0.305 56.104 56.048 -0.415 0.000 1.060 235 H CB 1.411 30.800 29.762 -0.620 0.000 1.646 235 H HN 0.336 nan 8.280 nan 0.000 0.571 236 G N 0.818 109.498 108.800 -0.199 0.000 2.246 236 G HA2 -0.234 3.727 3.960 0.001 0.000 0.273 236 G HA3 -0.234 3.727 3.960 0.001 0.000 0.273 236 G C 0.653 175.394 174.900 -0.265 0.000 1.055 236 G CA 0.122 45.095 45.100 -0.211 0.000 0.851 236 G HN 0.694 nan 8.290 nan 0.000 0.500 237 G N -1.872 106.828 108.800 -0.166 0.000 2.580 237 G HA2 0.532 4.492 3.960 0.001 0.000 0.278 237 G HA3 0.532 4.492 3.960 0.001 0.000 0.278 237 G C 0.370 175.173 174.900 -0.162 0.000 1.212 237 G CA -0.471 44.625 45.100 -0.005 0.000 0.939 237 G HN 0.274 nan 8.290 nan 0.000 0.513 238 Y N -1.156 119.254 120.300 0.184 0.000 2.442 238 Y HA 0.324 4.875 4.550 0.001 0.000 0.250 238 Y C 1.300 177.232 175.900 0.052 0.000 1.113 238 Y CA -0.425 57.732 58.100 0.094 0.000 1.273 238 Y CB 0.512 39.015 38.460 0.071 0.000 1.138 238 Y HN 0.092 nan 8.280 nan 0.000 0.522 239 L N 3.031 124.328 121.223 0.123 0.000 2.433 239 L HA 0.149 4.490 4.340 0.001 0.000 0.275 239 L C 0.393 177.249 176.870 -0.024 0.000 1.128 239 L CA 0.531 55.300 54.840 -0.118 0.000 0.875 239 L CB 0.175 41.814 42.059 -0.700 0.000 1.171 239 L HN 0.264 nan 8.230 nan 0.000 0.463 240 T N 0.809 115.403 114.554 0.066 0.000 2.927 240 T HA 0.342 4.693 4.350 0.001 0.000 0.286 240 T C 1.040 175.786 174.700 0.077 0.000 1.040 240 T CA -0.843 61.400 62.100 0.238 0.000 1.010 240 T CB 1.885 70.850 68.868 0.161 0.000 1.177 240 T HN 0.515 nan 8.240 nan 0.000 0.546 241 K N 0.343 120.677 120.400 -0.110 0.000 2.032 241 K HA -0.147 4.174 4.320 0.001 0.000 0.209 241 K C 2.199 178.751 176.600 -0.079 0.000 1.048 241 K CA 2.001 58.179 56.287 -0.181 0.000 0.927 241 K CB -0.192 32.093 32.500 -0.358 0.000 0.712 241 K HN 0.697 nan 8.250 nan 0.000 0.441 242 E N 0.518 120.675 120.200 -0.073 0.000 2.204 242 E HA -0.155 4.195 4.350 0.001 0.000 0.194 242 E C 1.562 178.171 176.600 0.014 0.000 0.989 242 E CA 0.926 57.312 56.400 -0.024 0.000 0.824 242 E CB 0.078 29.764 29.700 -0.023 0.000 0.756 242 E HN 0.244 nan 8.360 nan 0.000 0.477 243 D N 0.458 120.870 120.400 0.021 0.000 2.097 243 D HA -0.127 4.513 4.640 0.001 0.000 0.197 243 D C 2.013 178.358 176.300 0.076 0.000 0.984 243 D CA 0.922 54.947 54.000 0.041 0.000 0.826 243 D CB -0.040 40.775 40.800 0.025 0.000 0.973 243 D HN 0.194 nan 8.370 nan 0.000 0.460 244 L N 0.732 121.997 121.223 0.069 0.000 2.056 244 L HA -0.081 4.259 4.340 0.001 0.000 0.207 244 L C 2.614 179.627 176.870 0.237 0.000 1.078 244 L CA 1.016 55.964 54.840 0.180 0.000 0.749 244 L CB -0.506 41.586 42.059 0.055 0.000 0.901 244 L HN -0.063 nan 8.230 nan 0.000 0.433 245 A N 0.057 122.948 122.820 0.118 0.000 1.972 245 A HA -0.205 4.116 4.320 0.001 0.000 0.219 245 A C 1.962 179.581 177.584 0.059 0.000 1.169 245 A CA 1.629 53.721 52.037 0.091 0.000 0.635 245 A CB -0.898 18.121 19.000 0.033 0.000 0.810 245 A HN 0.721 nan 8.150 nan 0.000 0.446 246 C N -3.157 116.173 119.300 0.050 0.000 2.647 246 C HA 0.567 5.027 4.460 0.001 0.000 0.296 246 C C 0.322 175.312 174.990 -0.001 0.000 1.403 246 C CA -1.424 57.597 59.018 0.005 0.000 1.781 246 C CB -2.489 25.250 27.740 -0.001 0.000 2.464 246 C HN 0.442 nan 8.230 nan 0.000 0.559 247 Y N 1.969 122.201 120.300 -0.113 0.000 2.309 247 Y HA 0.628 5.178 4.550 0.000 0.000 0.327 247 Y C 0.233 175.943 175.900 -0.317 0.000 1.172 247 Y CA -0.126 57.853 58.100 -0.202 0.000 1.280 247 Y CB 0.388 38.716 38.460 -0.220 0.000 1.234 247 Y HN 0.291 nan 8.280 nan 0.000 0.512 248 R N 7.067 126.808 120.500 -1.265 0.000 2.533 248 R HA 0.343 4.684 4.340 0.001 0.000 0.288 248 R C -3.038 172.497 176.300 -1.276 0.000 1.039 248 R CA -2.105 53.353 56.100 -1.070 0.000 0.909 248 R CB 2.020 32.015 30.300 -0.509 0.000 1.195 248 R HN 0.560 nan 8.270 nan 0.000 0.438 249 P HA 0.047 nan 4.420 nan 0.000 0.268 249 P C -0.783 176.195 177.300 -0.537 0.000 1.204 249 P CA 0.058 62.753 63.100 -0.674 0.000 0.768 249 P CB 0.714 32.109 31.700 -0.508 0.000 0.842 250 E N 2.932 122.874 120.200 -0.430 0.000 2.133 250 E HA 0.172 4.522 4.350 0.001 0.000 0.274 250 E C -0.935 175.510 176.600 -0.259 0.000 0.930 250 E CA -0.738 55.498 56.400 -0.273 0.000 0.770 250 E CB 0.472 30.081 29.700 -0.151 0.000 1.104 250 E HN 0.327 nan 8.360 nan 0.000 0.403 251 W N 4.338 125.608 121.300 -0.050 0.000 2.446 251 W HA 0.261 4.921 4.660 0.000 0.000 0.316 251 W C -0.049 176.479 176.519 0.015 0.000 1.376 251 W CA -0.305 57.039 57.345 -0.000 0.000 1.300 251 W CB 0.740 30.207 29.460 0.011 0.000 1.351 251 W HN 0.210 nan 8.180 nan 0.000 0.530 252 V N 3.578 123.646 119.914 0.257 0.000 2.960 252 V HA 0.362 4.482 4.120 0.001 0.000 0.315 252 V C -0.755 175.450 176.094 0.186 0.000 1.087 252 V CA -1.056 61.348 62.300 0.173 0.000 0.982 252 V CB 2.238 34.129 31.823 0.113 0.000 1.039 252 V HN 0.345 nan 8.190 nan 0.000 0.437 253 E N 5.957 126.244 120.200 0.145 0.000 2.089 253 E HA 0.440 4.790 4.350 0.001 0.000 0.284 253 E C -2.444 174.255 176.600 0.166 0.000 1.023 253 E CA -2.160 54.321 56.400 0.135 0.000 0.819 253 E CB 1.022 30.787 29.700 0.110 0.000 1.076 253 E HN 0.477 nan 8.360 nan 0.000 0.396 254 P HA -0.003 nan 4.420 nan 0.000 0.266 254 P C -0.264 177.288 177.300 0.420 0.000 1.193 254 P CA 0.309 63.589 63.100 0.299 0.000 0.770 254 P CB 0.291 32.157 31.700 0.276 0.000 0.836 255 I N -1.107 119.672 120.570 0.349 0.000 2.648 255 I HA 0.741 4.911 4.170 0.001 0.000 0.304 255 I C 0.024 176.151 176.117 0.017 0.000 1.009 255 I CA -0.856 60.558 61.300 0.189 0.000 1.114 255 I CB 2.245 40.299 38.000 0.090 0.000 1.293 255 I HN 0.377 nan 8.210 nan 0.000 0.449 256 S N 4.925 120.452 115.700 -0.288 0.000 2.720 256 S HA 0.787 5.257 4.470 0.001 0.000 0.287 256 S C -1.091 173.303 174.600 -0.345 0.000 1.168 256 S CA -0.756 57.081 58.200 -0.605 0.000 0.832 256 S CB 2.256 64.444 63.200 -1.688 0.000 1.166 256 S HN 0.587 nan 8.310 nan 0.000 0.493 257 I N 1.476 121.858 120.570 -0.313 0.000 2.656 257 I HA 0.416 4.586 4.170 0.001 0.000 0.292 257 I C -1.083 174.970 176.117 -0.107 0.000 1.144 257 I CA -0.503 60.712 61.300 -0.142 0.000 1.038 257 I CB 2.024 39.989 38.000 -0.059 0.000 1.244 257 I HN 0.943 nan 8.210 nan 0.000 0.420 258 D N 5.739 126.107 120.400 -0.052 0.000 2.338 258 D HA -0.011 4.629 4.640 0.001 0.000 0.255 258 D C -1.366 174.980 176.300 0.077 0.000 1.237 258 D CA 0.110 54.106 54.000 -0.007 0.000 0.883 258 D CB 0.437 41.222 40.800 -0.024 0.000 1.087 258 D HN 0.346 nan 8.370 nan 0.000 0.485 259 Y N 5.179 125.463 120.300 -0.027 0.000 2.712 259 Y HA 0.208 4.759 4.550 0.000 0.000 0.328 259 Y C 0.166 176.084 175.900 0.029 0.000 0.995 259 Y CA -0.673 57.416 58.100 -0.018 0.000 1.283 259 Y CB 0.132 38.562 38.460 -0.049 0.000 1.092 259 Y HN 0.453 nan 8.280 nan 0.000 0.519 260 R N 3.560 123.890 120.500 -0.282 0.000 3.336 260 R HA -0.247 4.093 4.340 0.001 0.000 0.260 260 R C 1.018 177.306 176.300 -0.020 0.000 1.032 260 R CA 0.883 56.855 56.100 -0.212 0.000 0.693 260 R CB -2.066 28.023 30.300 -0.353 0.000 1.134 260 R HN 1.203 nan 8.270 nan 0.000 0.433 261 G N -1.316 107.462 108.800 -0.037 0.000 2.358 261 G HA2 -0.385 3.575 3.960 0.001 0.000 0.224 261 G HA3 -0.385 3.575 3.960 0.001 0.000 0.224 261 G C 0.176 175.006 174.900 -0.116 0.000 1.073 261 G CA 0.317 45.361 45.100 -0.093 0.000 0.635 261 G HN 0.361 nan 8.290 nan 0.000 0.509 262 Y N 1.476 121.744 120.300 -0.053 0.000 2.314 262 Y HA 0.637 5.187 4.550 0.000 0.000 0.334 262 Y C 1.445 177.339 175.900 -0.010 0.000 1.266 262 Y CA -0.151 57.929 58.100 -0.032 0.000 1.391 262 Y CB 0.575 39.000 38.460 -0.059 0.000 1.306 262 Y HN 0.069 nan 8.280 nan 0.000 0.558 263 R N 1.260 121.861 120.500 0.169 0.000 2.393 263 R HA 0.480 4.821 4.340 0.001 0.000 0.315 263 R C -1.643 174.635 176.300 -0.038 0.000 0.952 263 R CA -0.838 55.253 56.100 -0.015 0.000 0.842 263 R CB 1.603 31.861 30.300 -0.070 0.000 1.163 263 R HN 0.365 nan 8.270 nan 0.000 0.450 264 V N 3.881 123.714 119.914 -0.135 0.000 2.364 264 V HA 0.270 4.390 4.120 0.001 0.000 0.272 264 V C -0.592 175.461 176.094 -0.068 0.000 1.036 264 V CA -0.646 61.675 62.300 0.034 0.000 0.880 264 V CB 0.535 32.377 31.823 0.032 0.000 0.991 264 V HN 0.626 nan 8.190 nan 0.000 0.460 265 W N 3.013 124.491 121.300 0.296 0.000 2.496 265 W HA 0.702 5.362 4.660 0.001 0.000 0.327 265 W C 0.294 176.919 176.519 0.178 0.000 1.086 265 W CA -0.431 57.055 57.345 0.234 0.000 1.222 265 W CB 1.214 30.840 29.460 0.276 0.000 1.304 265 W HN 0.387 nan 8.180 nan 0.000 0.547 266 E N 2.102 122.505 120.200 0.338 0.000 2.393 266 E HA 0.354 4.704 4.350 0.001 0.000 0.273 266 E C -0.639 176.059 176.600 0.163 0.000 0.918 266 E CA -1.093 55.414 56.400 0.177 0.000 0.773 266 E CB 2.345 32.083 29.700 0.063 0.000 1.275 266 E HN 0.153 nan 8.360 nan 0.000 0.451 267 I N 3.601 124.211 120.570 0.068 0.000 2.648 267 I HA 0.062 4.232 4.170 0.001 0.000 0.284 267 I C -1.754 174.377 176.117 0.024 0.000 1.153 267 I CA -1.520 59.818 61.300 0.064 0.000 1.426 267 I CB -0.395 37.614 38.000 0.014 0.000 1.381 267 I HN 0.118 nan 8.210 nan 0.000 0.571 268 P HA 0.179 nan 4.420 nan 0.000 0.272 268 P C -2.570 174.743 177.300 0.021 0.000 1.240 268 P CA -1.217 61.914 63.100 0.052 0.000 0.791 268 P CB -0.546 31.203 31.700 0.083 0.000 0.978 269 P HA -0.218 nan 4.420 nan 0.000 0.274 269 P C 0.909 178.234 177.300 0.043 0.000 1.209 269 P CA 1.075 64.186 63.100 0.018 0.000 0.790 269 P CB -0.075 31.656 31.700 0.052 0.000 0.834 270 N N -1.696 117.031 118.700 0.045 0.000 2.684 270 N HA -0.163 4.577 4.740 0.001 0.000 0.221 270 N C 0.583 176.058 175.510 -0.058 0.000 0.185 270 N CA 1.114 54.200 53.050 0.061 0.000 4.102 270 N CB -1.746 36.818 38.487 0.128 0.000 0.910 270 N HN 0.620 nan 8.380 nan 0.000 0.224 271 G N 0.462 109.174 108.800 -0.148 0.000 2.569 271 G HA2 0.319 4.279 3.960 0.001 0.000 0.249 271 G HA3 0.319 4.279 3.960 0.001 0.000 0.249 271 G C 0.578 175.236 174.900 -0.404 0.000 1.216 271 G CA 0.490 45.338 45.100 -0.420 0.000 0.845 271 G HN 0.688 nan 8.290 nan 0.000 0.568 272 Q N 0.572 120.051 119.800 -0.535 0.000 2.280 272 Q HA 0.206 4.546 4.340 0.001 0.000 0.201 272 Q C 1.727 177.521 176.000 -0.343 0.000 0.890 272 Q CA 0.450 55.953 55.803 -0.500 0.000 0.947 272 Q CB 0.451 28.779 28.738 -0.683 0.000 1.081 272 Q HN 0.558 nan 8.270 nan 0.000 0.502 273 G N 1.703 110.315 108.800 -0.313 0.000 2.450 273 G HA2 -0.252 3.709 3.960 0.001 0.000 0.220 273 G HA3 -0.252 3.709 3.960 0.001 0.000 0.220 273 G C 1.323 176.133 174.900 -0.151 0.000 1.130 273 G CA 0.543 45.494 45.100 -0.248 0.000 0.760 273 G HN 0.391 nan 8.290 nan 0.000 0.557 274 L N 0.885 122.041 121.223 -0.112 0.000 2.085 274 L HA -0.182 4.158 4.340 0.001 0.000 0.218 274 L C 2.914 179.748 176.870 -0.061 0.000 1.080 274 L CA 1.869 56.678 54.840 -0.052 0.000 0.776 274 L CB -0.841 41.209 42.059 -0.014 0.000 0.891 274 L HN 0.207 nan 8.230 nan 0.000 0.437 275 V N 0.202 120.040 119.914 -0.127 0.000 2.255 275 V HA -0.320 3.800 4.120 0.001 0.000 0.247 275 V C 2.929 178.941 176.094 -0.138 0.000 1.051 275 V CA 1.878 64.073 62.300 -0.174 0.000 1.018 275 V CB -1.219 30.338 31.823 -0.444 0.000 0.641 275 V HN 0.616 nan 8.190 nan 0.000 0.445 276 A N -0.213 122.517 122.820 -0.150 0.000 1.884 276 A HA -0.244 4.076 4.320 0.001 0.000 0.219 276 A C 2.144 179.704 177.584 -0.040 0.000 1.197 276 A CA 2.248 54.246 52.037 -0.065 0.000 0.637 276 A CB -0.747 18.248 19.000 -0.009 0.000 0.827 276 A HN 0.402 nan 8.150 nan 0.000 0.450 277 L N -0.240 120.962 121.223 -0.034 0.000 2.012 277 L HA -0.191 4.149 4.340 0.001 0.000 0.210 277 L C 2.484 179.343 176.870 -0.018 0.000 1.073 277 L CA 2.391 57.215 54.840 -0.028 0.000 0.748 277 L CB -1.064 40.982 42.059 -0.022 0.000 0.891 277 L HN 0.667 nan 8.230 nan 0.000 0.431 278 E N -0.916 119.281 120.200 -0.005 0.000 2.110 278 E HA -0.212 4.139 4.350 0.001 0.000 0.193 278 E C 2.145 178.745 176.600 -0.001 0.000 0.988 278 E CA 1.057 57.465 56.400 0.014 0.000 0.804 278 E CB 0.057 29.786 29.700 0.047 0.000 0.745 278 E HN 0.461 nan 8.360 nan 0.000 0.458 279 A N 1.035 123.852 122.820 -0.005 0.000 1.873 279 A HA -0.140 4.180 4.320 0.001 0.000 0.215 279 A C 2.084 179.679 177.584 0.019 0.000 1.186 279 A CA 0.863 52.909 52.037 0.015 0.000 0.616 279 A CB -0.492 18.530 19.000 0.036 0.000 0.823 279 A HN 0.283 nan 8.150 nan 0.000 0.442 280 L N 0.405 121.606 121.223 -0.038 0.000 2.079 280 L HA -0.165 4.176 4.340 0.001 0.000 0.210 280 L C 2.139 179.059 176.870 0.084 0.000 1.081 280 L CA 1.999 56.782 54.840 -0.095 0.000 0.752 280 L CB -1.746 40.131 42.059 -0.304 0.000 0.896 280 L HN 0.438 nan 8.230 nan 0.000 0.433 281 N N -0.208 118.521 118.700 0.049 0.000 2.244 281 N HA -0.113 4.627 4.740 0.001 0.000 0.183 281 N C 1.865 177.383 175.510 0.012 0.000 1.016 281 N CA 0.936 54.016 53.050 0.050 0.000 0.866 281 N CB -0.023 38.475 38.487 0.018 0.000 0.980 281 N HN 0.314 nan 8.380 nan 0.000 0.430 282 I N -1.044 119.524 120.570 -0.003 0.000 2.286 282 I HA -0.159 4.011 4.170 0.001 0.000 0.245 282 I C 2.045 178.154 176.117 -0.013 0.000 1.104 282 I CA 0.599 61.873 61.300 -0.044 0.000 1.397 282 I CB -0.150 37.831 38.000 -0.031 0.000 1.072 282 I HN -0.028 nan 8.210 nan 0.000 0.417 283 V N 0.788 120.788 119.914 0.143 0.000 2.719 283 V HA -0.229 3.891 4.120 0.001 0.000 0.252 283 V C 2.464 178.757 176.094 0.332 0.000 1.065 283 V CA 1.529 64.041 62.300 0.353 0.000 1.086 283 V CB -0.357 31.710 31.823 0.408 0.000 0.700 283 V HN 0.349 nan 8.190 nan 0.000 0.467 284 K N 0.100 120.648 120.400 0.247 0.000 2.144 284 K HA -0.220 4.100 4.320 0.001 0.000 0.209 284 K C 1.883 178.435 176.600 -0.079 0.000 1.047 284 K CA 1.852 58.211 56.287 0.120 0.000 0.927 284 K CB -0.600 31.948 32.500 0.081 0.000 0.716 284 K HN 0.575 nan 8.250 nan 0.000 0.454 285 G N -0.389 108.274 108.800 -0.229 0.000 2.534 285 G HA2 -0.053 3.907 3.960 0.001 0.000 0.217 285 G HA3 -0.053 3.907 3.960 0.001 0.000 0.217 285 G C 0.125 174.766 174.900 -0.432 0.000 1.128 285 G CA 0.092 44.969 45.100 -0.371 0.000 0.784 285 G HN 0.074 nan 8.290 nan 0.000 0.542 286 F N 0.565 120.414 119.950 -0.169 0.000 2.378 286 F HA 0.518 5.045 4.527 0.000 0.000 0.325 286 F C 0.542 175.971 175.800 -0.619 0.000 1.097 286 F CA -1.326 56.441 58.000 -0.387 0.000 1.079 286 F CB 1.021 39.716 39.000 -0.508 0.000 1.240 286 F HN -0.140 nan 8.300 nan 0.000 0.519 287 E N 0.743 120.665 120.200 -0.464 0.000 2.232 287 E HA 0.373 4.723 4.350 0.001 0.000 0.265 287 E C -0.433 175.575 176.600 -0.986 0.000 1.001 287 E CA -0.187 55.824 56.400 -0.648 0.000 0.870 287 E CB 1.453 30.860 29.700 -0.489 0.000 1.175 287 E HN 0.493 nan 8.360 nan 0.000 0.407 288 F N -1.123 118.574 119.950 -0.422 0.000 2.017 288 F HA 0.054 4.582 4.527 0.001 0.000 0.245 288 F C 0.502 176.303 175.800 0.001 0.000 1.060 288 F CA -0.122 57.821 58.000 -0.096 0.000 1.231 288 F CB -0.098 39.006 39.000 0.173 0.000 1.527 288 F HN 0.432 nan 8.300 nan 0.000 0.636 289 Y N -1.617 118.941 120.300 0.430 0.000 2.749 289 Y HA -0.342 4.208 4.550 0.000 0.000 0.482 289 Y C 0.515 176.646 175.900 0.386 0.000 1.210 289 Y CA 1.000 59.290 58.100 0.317 0.000 2.729 289 Y CB -1.548 37.029 38.460 0.194 0.000 0.974 289 Y HN 0.334 nan 8.280 nan 0.000 0.548 290 H N 0.892 120.171 119.070 0.349 0.000 2.637 290 H HA 0.466 5.022 4.556 0.000 0.000 0.363 290 H C 0.747 175.889 175.328 -0.310 0.000 1.131 290 H CA -0.481 55.614 56.048 0.079 0.000 1.183 290 H CB 1.771 31.559 29.762 0.044 0.000 1.637 290 H HN 0.179 nan 8.280 nan 0.000 0.531 291 K N 2.108 121.672 120.400 -1.393 0.000 2.025 291 K HA -0.068 4.252 4.320 0.001 0.000 0.207 291 K C -0.164 175.916 176.600 -0.867 0.000 1.049 291 K CA 1.303 56.543 56.287 -1.744 0.000 0.933 291 K CB 0.181 31.665 32.500 -1.694 0.000 0.714 291 K HN 0.624 nan 8.250 nan 0.000 0.438 292 D N 2.329 122.445 120.400 -0.473 0.000 2.994 292 D HA 0.007 4.648 4.640 0.001 0.000 0.240 292 D C -0.351 176.014 176.300 0.107 0.000 1.195 292 D CA 0.326 54.295 54.000 -0.053 0.000 0.957 292 D CB 0.404 41.226 40.800 0.036 0.000 1.105 292 D HN 0.377 nan 8.370 nan 0.000 0.477 293 T N -4.010 110.580 114.554 0.059 0.000 2.932 293 T HA 0.209 4.560 4.350 0.001 0.000 0.289 293 T C 1.227 176.041 174.700 0.190 0.000 1.039 293 T CA -0.771 61.401 62.100 0.120 0.000 1.024 293 T CB 2.252 71.189 68.868 0.115 0.000 1.090 293 T HN -0.116 nan 8.240 nan 0.000 0.496 294 V N 0.987 120.998 119.914 0.162 0.000 2.343 294 V HA -0.112 4.008 4.120 0.001 0.000 0.247 294 V C 2.152 178.353 176.094 0.178 0.000 1.051 294 V CA 2.920 65.326 62.300 0.176 0.000 1.036 294 V CB -1.002 30.880 31.823 0.097 0.000 0.654 294 V HN 1.117 nan 8.190 nan 0.000 0.451 295 D N -0.585 119.894 120.400 0.131 0.000 2.106 295 D HA -0.210 4.430 4.640 0.001 0.000 0.191 295 D C 2.080 178.491 176.300 0.185 0.000 0.997 295 D CA 2.407 56.485 54.000 0.130 0.000 0.834 295 D CB -0.300 40.556 40.800 0.094 0.000 0.956 295 D HN 0.517 nan 8.370 nan 0.000 0.448 296 T N -1.048 113.611 114.554 0.175 0.000 2.674 296 T HA -0.183 4.167 4.350 0.001 0.000 0.265 296 T C 1.637 176.330 174.700 -0.012 0.000 1.039 296 T CA 1.502 63.679 62.100 0.130 0.000 1.150 296 T CB -0.723 68.075 68.868 -0.117 0.000 0.864 296 T HN 0.238 nan 8.240 nan 0.000 0.427 297 Y N 0.522 120.839 120.300 0.027 0.000 2.207 297 Y HA -0.143 4.407 4.550 0.000 0.000 0.287 297 Y C 2.589 178.391 175.900 -0.164 0.000 1.156 297 Y CA 1.382 59.443 58.100 -0.064 0.000 1.182 297 Y CB -0.715 37.759 38.460 0.023 0.000 0.979 297 Y HN 0.401 nan 8.280 nan 0.000 0.521 298 H N 0.244 119.326 119.070 0.020 0.000 2.293 298 H HA -0.121 4.436 4.556 0.000 0.000 0.300 298 H C 2.026 177.335 175.328 -0.032 0.000 1.082 298 H CA 2.161 58.193 56.048 -0.027 0.000 1.308 298 H CB -0.029 29.762 29.762 0.049 0.000 1.375 298 H HN 0.155 nan 8.280 nan 0.000 0.495 299 K N -0.059 120.304 120.400 -0.063 0.000 2.057 299 K HA -0.158 4.163 4.320 0.001 0.000 0.207 299 K C 2.468 179.075 176.600 0.012 0.000 1.049 299 K CA 1.523 57.761 56.287 -0.081 0.000 0.931 299 K CB -0.050 32.465 32.500 0.025 0.000 0.714 299 K HN 0.457 nan 8.250 nan 0.000 0.440 300 Q N 0.631 120.432 119.800 0.001 0.000 1.985 300 Q HA -0.207 4.133 4.340 0.001 0.000 0.207 300 Q C 2.208 178.131 176.000 -0.129 0.000 0.996 300 Q CA 1.824 57.634 55.803 0.012 0.000 0.851 300 Q CB -0.289 28.483 28.738 0.056 0.000 0.921 300 Q HN 0.317 nan 8.270 nan 0.000 0.418 301 I N 0.829 121.109 120.570 -0.483 0.000 2.208 301 I HA -0.290 3.881 4.170 0.001 0.000 0.245 301 I C 2.311 178.270 176.117 -0.263 0.000 1.097 301 I CA 1.088 62.021 61.300 -0.611 0.000 1.363 301 I CB -0.261 37.307 38.000 -0.721 0.000 1.051 301 I HN 0.224 nan 8.210 nan 0.000 0.413 302 E N 0.770 120.827 120.200 -0.239 0.000 2.072 302 E HA -0.152 4.199 4.350 0.001 0.000 0.190 302 E C 2.362 178.902 176.600 -0.100 0.000 0.982 302 E CA 1.347 57.638 56.400 -0.182 0.000 0.803 302 E CB -0.292 29.250 29.700 -0.263 0.000 0.755 302 E HN 0.505 nan 8.360 nan 0.000 0.453 303 A N 1.423 124.228 122.820 -0.024 0.000 1.877 303 A HA -0.202 4.118 4.320 0.001 0.000 0.216 303 A C 2.211 179.804 177.584 0.015 0.000 1.186 303 A CA 1.991 54.048 52.037 0.034 0.000 0.620 303 A CB -0.460 18.612 19.000 0.120 0.000 0.822 303 A HN 0.202 nan 8.150 nan 0.000 0.443 304 M N 0.102 119.735 119.600 0.055 0.000 2.080 304 M HA -0.136 4.344 4.480 0.001 0.000 0.260 304 M C 1.777 178.070 176.300 -0.011 0.000 1.068 304 M CA 1.896 57.274 55.300 0.130 0.000 1.109 304 M CB -0.681 32.147 32.600 0.380 0.000 1.342 304 M HN 0.384 nan 8.290 nan 0.000 0.405 305 K N -0.308 119.948 120.400 -0.240 0.000 2.020 305 K HA -0.160 4.160 4.320 0.001 0.000 0.212 305 K C 1.936 178.331 176.600 -0.342 0.000 1.050 305 K CA 2.012 57.926 56.287 -0.622 0.000 0.929 305 K CB -0.598 31.517 32.500 -0.643 0.000 0.714 305 K HN 0.381 nan 8.250 nan 0.000 0.443 306 L N 0.292 121.412 121.223 -0.171 0.000 2.042 306 L HA -0.230 4.110 4.340 0.001 0.000 0.210 306 L C 2.537 179.401 176.870 -0.010 0.000 1.076 306 L CA 1.378 56.169 54.840 -0.081 0.000 0.749 306 L CB -0.575 41.441 42.059 -0.071 0.000 0.893 306 L HN 0.258 nan 8.230 nan 0.000 0.432 307 A N -0.980 121.843 122.820 0.005 0.000 1.968 307 A HA -0.175 4.145 4.320 0.001 0.000 0.217 307 A C 2.101 179.755 177.584 0.117 0.000 1.169 307 A CA 1.070 53.139 52.037 0.053 0.000 0.638 307 A CB -0.565 18.445 19.000 0.017 0.000 0.812 307 A HN 0.320 nan 8.150 nan 0.000 0.446 308 F N 0.382 120.329 119.950 -0.006 0.000 2.234 308 F HA -0.060 4.468 4.527 0.000 0.000 0.296 308 F C 2.294 178.156 175.800 0.103 0.000 1.089 308 F CA 1.220 59.268 58.000 0.080 0.000 1.343 308 F CB -0.170 38.866 39.000 0.059 0.000 1.040 308 F HN 0.043 nan 8.300 nan 0.000 0.498 309 V N -0.637 119.417 119.914 0.235 0.000 2.667 309 V HA -0.219 3.902 4.120 0.001 0.000 0.252 309 V C 1.989 178.186 176.094 0.172 0.000 1.065 309 V CA 1.700 64.107 62.300 0.179 0.000 1.083 309 V CB -0.636 31.237 31.823 0.084 0.000 0.692 309 V HN 0.163 nan 8.190 nan 0.000 0.468 310 D N 1.363 121.893 120.400 0.216 0.000 2.097 310 D HA -0.086 4.554 4.640 0.001 0.000 0.197 310 D C 2.307 178.805 176.300 0.330 0.000 0.984 310 D CA 1.773 55.963 54.000 0.317 0.000 0.826 310 D CB -0.631 40.388 40.800 0.366 0.000 0.973 310 D HN 0.437 nan 8.370 nan 0.000 0.460 311 G N 0.348 109.329 108.800 0.301 0.000 2.442 311 G HA2 -0.254 3.707 3.960 0.001 0.000 0.219 311 G HA3 -0.254 3.707 3.960 0.001 0.000 0.219 311 G C 1.645 176.787 174.900 0.403 0.000 1.141 311 G CA 0.529 45.831 45.100 0.337 0.000 0.763 311 G HN 0.211 nan 8.290 nan 0.000 0.554 312 M N -0.445 119.346 119.600 0.318 0.000 2.319 312 M HA 0.124 4.604 4.480 0.001 0.000 0.265 312 M C 2.338 178.680 176.300 0.071 0.000 1.068 312 M CA 1.087 56.451 55.300 0.107 0.000 1.118 312 M CB 0.158 32.832 32.600 0.124 0.000 1.395 312 M HN 0.184 nan 8.290 nan 0.000 0.435 313 K N -0.207 120.166 120.400 -0.045 0.000 2.067 313 K HA -0.074 4.246 4.320 0.001 0.000 0.203 313 K C 1.021 177.337 176.600 -0.473 0.000 1.048 313 K CA 1.654 57.694 56.287 -0.413 0.000 0.954 313 K CB 0.035 32.078 32.500 -0.761 0.000 0.737 313 K HN 0.271 nan 8.250 nan 0.000 0.444 314 Y N -0.812 119.525 120.300 0.063 0.000 2.498 314 Y HA 0.303 4.853 4.550 0.000 0.000 0.259 314 Y C 0.095 176.068 175.900 0.121 0.000 1.086 314 Y CA -0.529 57.602 58.100 0.053 0.000 1.287 314 Y CB 0.571 39.054 38.460 0.038 0.000 1.146 314 Y HN -0.289 nan 8.280 nan 0.000 0.523 315 V N 1.285 121.404 119.914 0.343 0.000 2.455 315 V HA 0.413 4.533 4.120 0.001 0.000 0.273 315 V C 0.300 176.615 176.094 0.368 0.000 1.045 315 V CA 0.414 62.912 62.300 0.331 0.000 0.976 315 V CB 0.718 32.736 31.823 0.325 0.000 0.993 315 V HN 0.335 nan 8.190 nan 0.000 0.475 316 T N 2.942 117.641 114.554 0.242 0.000 2.649 316 T HA 0.293 4.643 4.350 0.001 0.000 0.305 316 T C -0.865 173.929 174.700 0.155 0.000 1.409 316 T CA -0.626 61.604 62.100 0.217 0.000 1.021 316 T CB 1.300 70.308 68.868 0.233 0.000 1.726 316 T HN 0.736 nan 8.240 nan 0.000 0.475 317 E N 1.950 122.244 120.200 0.156 0.000 2.694 317 E HA 0.086 4.436 4.350 0.001 0.000 0.250 317 E C -1.836 174.830 176.600 0.111 0.000 0.963 317 E CA -0.579 55.900 56.400 0.132 0.000 0.949 317 E CB 0.931 30.719 29.700 0.147 0.000 0.911 317 E HN 0.229 nan 8.360 nan 0.000 0.500 318 P HA -0.254 nan 4.420 nan 0.000 0.218 318 P C 0.762 178.103 177.300 0.068 0.000 1.154 318 P CA 1.891 65.036 63.100 0.075 0.000 0.872 318 P CB 0.126 31.864 31.700 0.063 0.000 0.790 319 S N -0.716 115.024 115.700 0.066 0.000 2.368 319 S HA -0.164 4.306 4.470 0.001 0.000 0.225 319 S C 1.238 175.875 174.600 0.061 0.000 1.030 319 S CA 1.749 59.983 58.200 0.056 0.000 0.999 319 S CB -1.046 62.186 63.200 0.053 0.000 0.844 319 S HN 0.265 nan 8.310 nan 0.000 0.459 320 D N 0.511 120.959 120.400 0.080 0.000 2.328 320 D HA 0.231 4.871 4.640 0.001 0.000 0.221 320 D C 0.060 176.418 176.300 0.096 0.000 1.072 320 D CA 0.133 54.185 54.000 0.087 0.000 0.850 320 D CB -0.098 40.767 40.800 0.108 0.000 0.922 320 D HN 0.357 nan 8.370 nan 0.000 0.516 321 M N 0.203 119.860 119.600 0.094 0.000 2.217 321 M HA 0.068 4.548 4.480 0.001 0.000 0.354 321 M C 1.458 177.808 176.300 0.084 0.000 1.225 321 M CA 0.022 55.385 55.300 0.106 0.000 1.137 321 M CB 1.626 34.284 32.600 0.096 0.000 1.576 321 M HN -0.135 nan 8.290 nan 0.000 0.461 322 S N 2.491 118.263 115.700 0.119 0.000 2.406 322 S HA 0.054 4.524 4.470 0.001 0.000 0.224 322 S C 0.481 175.087 174.600 0.011 0.000 1.030 322 S CA 0.416 58.672 58.200 0.093 0.000 0.958 322 S CB 0.235 63.540 63.200 0.176 0.000 0.811 322 S HN 0.625 nan 8.310 nan 0.000 0.489 323 V N 0.242 120.120 119.914 -0.060 0.000 3.177 323 V HA 0.855 4.975 4.120 0.001 0.000 0.319 323 V C -0.078 175.944 176.094 -0.121 0.000 1.125 323 V CA -0.547 61.641 62.300 -0.188 0.000 1.029 323 V CB 1.358 32.898 31.823 -0.471 0.000 1.119 323 V HN 0.344 nan 8.190 nan 0.000 0.452 324 S N -0.239 115.384 115.700 -0.130 0.000 2.654 324 S HA 0.484 4.954 4.470 0.001 0.000 0.283 324 S C 0.825 175.380 174.600 -0.075 0.000 1.180 324 S CA -0.056 58.100 58.200 -0.073 0.000 1.021 324 S CB 1.421 64.587 63.200 -0.056 0.000 1.018 324 S HN 0.940 nan 8.310 nan 0.000 0.532 325 V N 1.690 121.587 119.914 -0.028 0.000 2.332 325 V HA -0.156 3.964 4.120 0.001 0.000 0.248 325 V C 2.507 178.588 176.094 -0.022 0.000 1.055 325 V CA 2.299 64.592 62.300 -0.012 0.000 1.038 325 V CB -1.347 30.484 31.823 0.013 0.000 0.651 325 V HN 0.887 nan 8.190 nan 0.000 0.450 326 E N -0.134 120.050 120.200 -0.027 0.000 2.153 326 E HA -0.199 4.151 4.350 0.001 0.000 0.194 326 E C 2.298 178.872 176.600 -0.043 0.000 0.988 326 E CA 1.042 57.427 56.400 -0.024 0.000 0.811 326 E CB -0.244 29.444 29.700 -0.020 0.000 0.746 326 E HN 0.662 nan 8.360 nan 0.000 0.466 327 Q N -0.343 119.402 119.800 -0.091 0.000 2.137 327 Q HA 0.002 4.342 4.340 0.001 0.000 0.198 327 Q C 2.090 177.982 176.000 -0.179 0.000 0.960 327 Q CA 0.746 56.455 55.803 -0.157 0.000 0.847 327 Q CB 0.038 28.630 28.738 -0.243 0.000 0.915 327 Q HN 0.296 nan 8.270 nan 0.000 0.448 328 L N -0.175 120.966 121.223 -0.137 0.000 2.156 328 L HA -0.128 4.212 4.340 0.001 0.000 0.208 328 L C 1.402 178.385 176.870 0.190 0.000 1.095 328 L CA 0.414 55.262 54.840 0.014 0.000 0.770 328 L CB 0.056 42.124 42.059 0.015 0.000 0.914 328 L HN 0.192 nan 8.230 nan 0.000 0.439 329 L N -0.664 120.606 121.223 0.079 0.000 2.628 329 L HA 0.129 4.470 4.340 0.001 0.000 0.229 329 L C 1.184 178.087 176.870 0.056 0.000 1.137 329 L CA 0.228 55.105 54.840 0.063 0.000 0.909 329 L CB -0.551 41.520 42.059 0.020 0.000 1.137 329 L HN 0.137 nan 8.230 nan 0.000 0.470 330 S N -2.280 113.468 115.700 0.079 0.000 2.584 330 S HA 0.126 4.596 4.470 0.001 0.000 0.273 330 S C 0.903 175.544 174.600 0.068 0.000 1.311 330 S CA -0.628 57.606 58.200 0.058 0.000 1.034 330 S CB 1.071 64.298 63.200 0.045 0.000 0.939 330 S HN 0.166 nan 8.310 nan 0.000 0.513 331 D N 1.440 121.857 120.400 0.028 0.000 2.144 331 D HA -0.128 4.513 4.640 0.001 0.000 0.199 331 D C 2.051 178.355 176.300 0.007 0.000 0.984 331 D CA 1.493 55.496 54.000 0.005 0.000 0.834 331 D CB -0.103 40.690 40.800 -0.012 0.000 0.955 331 D HN 0.908 nan 8.370 nan 0.000 0.465 332 E N 0.032 120.251 120.200 0.031 0.000 2.216 332 E HA -0.192 4.159 4.350 0.001 0.000 0.192 332 E C 2.002 178.653 176.600 0.085 0.000 0.988 332 E CA 0.550 56.971 56.400 0.036 0.000 0.834 332 E CB -0.692 29.027 29.700 0.033 0.000 0.772 332 E HN 0.351 nan 8.360 nan 0.000 0.479 333 Y N 2.221 122.502 120.300 -0.032 0.000 2.220 333 Y HA 0.098 4.649 4.550 0.000 0.000 0.291 333 Y C 2.559 178.444 175.900 -0.025 0.000 1.129 333 Y CA 0.919 59.002 58.100 -0.029 0.000 1.161 333 Y CB -0.588 37.852 38.460 -0.035 0.000 0.997 333 Y HN 0.099 nan 8.280 nan 0.000 0.522 334 A N -0.281 122.478 122.820 -0.102 0.000 1.859 334 A HA -0.271 4.049 4.320 0.001 0.000 0.217 334 A C 2.269 179.742 177.584 -0.184 0.000 1.198 334 A CA 2.890 54.819 52.037 -0.180 0.000 0.629 334 A CB -1.480 17.467 19.000 -0.088 0.000 0.830 334 A HN 0.491 nan 8.150 nan 0.000 0.446 335 T N -0.066 114.417 114.554 -0.118 0.000 2.699 335 T HA -0.168 4.183 4.350 0.001 0.000 0.268 335 T C 1.802 176.444 174.700 -0.097 0.000 1.036 335 T CA 1.519 63.554 62.100 -0.108 0.000 1.147 335 T CB -0.310 68.517 68.868 -0.068 0.000 0.862 335 T HN 0.492 nan 8.240 nan 0.000 0.446 336 E N 0.937 121.085 120.200 -0.086 0.000 2.051 336 E HA -0.100 4.250 4.350 0.001 0.000 0.192 336 E C 2.592 179.125 176.600 -0.111 0.000 0.991 336 E CA 0.927 57.291 56.400 -0.061 0.000 0.799 336 E CB -0.115 29.600 29.700 0.026 0.000 0.748 336 E HN 0.431 nan 8.360 nan 0.000 0.449 337 R N 0.285 120.643 120.500 -0.238 0.000 2.073 337 R HA -0.053 4.287 4.340 0.001 0.000 0.229 337 R C 2.448 178.683 176.300 -0.108 0.000 1.120 337 R CA 0.850 56.822 56.100 -0.213 0.000 0.967 337 R CB -0.478 29.608 30.300 -0.358 0.000 0.862 337 R HN 0.112 nan 8.270 nan 0.000 0.436 338 R N 1.729 122.160 120.500 -0.115 0.000 2.193 338 R HA -0.085 4.256 4.340 0.001 0.000 0.229 338 R C 1.736 178.041 176.300 0.009 0.000 1.110 338 R CA 1.383 57.447 56.100 -0.061 0.000 0.988 338 R CB 0.006 30.183 30.300 -0.204 0.000 0.871 338 R HN 0.050 nan 8.270 nan 0.000 0.458 339 K N 0.289 120.678 120.400 -0.018 0.000 2.288 339 K HA -0.084 4.236 4.320 0.001 0.000 0.201 339 K C 1.341 177.959 176.600 0.030 0.000 1.048 339 K CA 1.134 57.429 56.287 0.013 0.000 0.956 339 K CB 0.156 32.655 32.500 -0.002 0.000 0.746 339 K HN 0.412 nan 8.250 nan 0.000 0.461 340 E N 0.476 120.687 120.200 0.019 0.000 2.435 340 E HA 0.016 4.366 4.350 0.001 0.000 0.195 340 E C 0.227 176.851 176.600 0.040 0.000 1.029 340 E CA 0.165 56.578 56.400 0.022 0.000 0.865 340 E CB 0.215 29.917 29.700 0.004 0.000 0.833 340 E HN 0.264 nan 8.360 nan 0.000 0.510 341 I N 1.938 122.551 120.570 0.072 0.000 2.421 341 I HA 0.041 4.212 4.170 0.001 0.000 0.291 341 I C 0.933 177.120 176.117 0.118 0.000 1.089 341 I CA -0.221 61.138 61.300 0.098 0.000 1.354 341 I CB 0.720 38.828 38.000 0.179 0.000 1.413 341 I HN -0.038 nan 8.210 nan 0.000 0.513 342 G N 4.348 113.213 108.800 0.108 0.000 2.940 342 G HA2 0.207 4.167 3.960 0.001 0.000 0.164 342 G HA3 0.207 4.167 3.960 0.001 0.000 0.164 342 G C 0.448 175.436 174.900 0.147 0.000 1.326 342 G CA -0.163 44.999 45.100 0.103 0.000 1.020 342 G HN 0.613 nan 8.290 nan 0.000 0.586 343 E N -1.236 119.007 120.200 0.071 0.000 2.307 343 E HA 0.098 4.449 4.350 0.001 0.000 0.195 343 E C 0.341 176.904 176.600 -0.062 0.000 0.975 343 E CA -0.008 56.386 56.400 -0.010 0.000 0.878 343 E CB 0.248 29.924 29.700 -0.041 0.000 0.845 343 E HN 0.221 nan 8.360 nan 0.000 0.488 344 Q N 0.265 120.066 119.800 0.001 0.000 2.230 344 Q HA 0.380 4.721 4.340 0.001 0.000 0.248 344 Q C -0.786 175.224 176.000 0.017 0.000 0.915 344 Q CA -0.300 55.487 55.803 -0.025 0.000 0.900 344 Q CB 1.682 30.403 28.738 -0.029 0.000 1.229 344 Q HN 0.178 nan 8.270 nan 0.000 0.439 345 A N 3.088 125.842 122.820 -0.109 0.000 2.484 345 A HA 0.294 4.614 4.320 0.001 0.000 0.268 345 A C 0.104 177.617 177.584 -0.119 0.000 1.114 345 A CA -0.334 51.553 52.037 -0.248 0.000 0.780 345 A CB -0.699 17.802 19.000 -0.832 0.000 1.061 345 A HN 0.545 nan 8.150 nan 0.000 0.505 346 L N 1.485 122.675 121.223 -0.056 0.000 2.453 346 L HA 0.630 4.970 4.340 0.001 0.000 0.261 346 L C 0.341 177.203 176.870 -0.014 0.000 1.179 346 L CA -0.165 54.659 54.840 -0.026 0.000 0.813 346 L CB -0.031 42.019 42.059 -0.016 0.000 1.110 346 L HN 0.406 nan 8.230 nan 0.000 0.466 347 T N 1.870 116.428 114.554 0.005 0.000 2.743 347 T HA 0.455 4.805 4.350 0.001 0.000 0.293 347 T C -2.342 172.372 174.700 0.023 0.000 0.945 347 T CA -0.737 61.382 62.100 0.032 0.000 1.030 347 T CB 0.660 69.548 68.868 0.034 0.000 0.912 347 T HN 0.610 nan 8.240 nan 0.000 0.483 348 P HA 0.437 nan 4.420 nan 0.000 0.286 348 P C -0.602 176.712 177.300 0.024 0.000 1.269 348 P CA -0.475 62.616 63.100 -0.016 0.000 0.787 348 P CB 1.062 32.691 31.700 -0.119 0.000 0.920 349 E N 3.187 123.400 120.200 0.021 0.000 2.343 349 E HA 0.472 4.823 4.350 0.001 0.000 0.270 349 E C -2.476 174.161 176.600 0.061 0.000 0.895 349 E CA -2.084 54.341 56.400 0.042 0.000 0.767 349 E CB 1.262 30.986 29.700 0.041 0.000 1.248 349 E HN 0.301 nan 8.360 nan 0.000 0.440 350 P HA 0.170 nan 4.420 nan 0.000 0.271 350 P C 0.050 177.462 177.300 0.185 0.000 1.233 350 P CA -0.074 63.102 63.100 0.126 0.000 0.789 350 P CB 0.678 32.403 31.700 0.041 0.000 0.951 351 G N -0.226 108.765 108.800 0.318 0.000 3.310 351 G HA2 0.693 4.654 3.960 0.001 0.000 0.176 351 G HA3 0.693 4.654 3.960 0.001 0.000 0.176 351 G C -0.675 174.397 174.900 0.285 0.000 1.307 351 G CA -0.111 45.188 45.100 0.331 0.000 0.935 351 G HN 0.603 nan 8.290 nan 0.000 0.628 352 T N -2.090 112.567 114.554 0.171 0.000 2.645 352 T HA 0.627 4.978 4.350 0.001 0.000 0.300 352 T C -2.979 171.475 174.700 -0.410 0.000 1.210 352 T CA -0.983 61.085 62.100 -0.052 0.000 1.034 352 T CB 1.092 69.974 68.868 0.023 0.000 1.537 352 T HN 0.335 nan 8.240 nan 0.000 0.492 359 V N 0.565 120.514 119.914 0.059 0.000 2.531 359 V HA 0.851 4.972 4.120 0.001 0.000 0.301 359 V C -1.160 175.032 176.094 0.163 0.000 1.034 359 V CA -0.906 61.438 62.300 0.074 0.000 0.865 359 V CB 1.333 33.182 31.823 0.044 0.000 0.995 359 V HN 0.883 nan 8.190 nan 0.000 0.424 360 Y N 5.372 125.694 120.300 0.036 0.000 2.496 360 Y HA 0.877 5.427 4.550 0.001 0.000 0.331 360 Y C -0.726 175.212 175.900 0.064 0.000 1.140 360 Y CA -1.421 56.714 58.100 0.058 0.000 1.166 360 Y CB 1.927 40.403 38.460 0.027 0.000 1.249 360 Y HN 0.966 nan 8.280 nan 0.000 0.479 361 L N 4.109 124.679 121.223 -1.089 0.000 2.549 361 L HA 0.848 5.188 4.340 0.001 0.000 0.259 361 L C -2.134 174.264 176.870 -0.787 0.000 0.934 361 L CA -0.509 53.963 54.840 -0.615 0.000 0.865 361 L CB 1.673 43.605 42.059 -0.211 0.000 1.352 361 L HN 0.823 nan 8.230 nan 0.000 0.410 362 A N 2.290 124.874 122.820 -0.394 0.000 2.414 362 A HA 0.915 5.235 4.320 0.001 0.000 0.306 362 A C -0.616 176.925 177.584 -0.071 0.000 1.054 362 A CA -0.137 51.795 52.037 -0.174 0.000 0.724 362 A CB 1.966 20.920 19.000 -0.076 0.000 1.267 362 A HN 0.739 nan 8.150 nan 0.000 0.418 363 T N -1.226 113.333 114.554 0.008 0.000 2.903 363 T HA 0.906 5.256 4.350 0.001 0.000 0.299 363 T C -0.481 174.273 174.700 0.090 0.000 1.093 363 T CA -0.135 61.982 62.100 0.028 0.000 1.002 363 T CB 1.763 70.637 68.868 0.010 0.000 1.127 363 T HN 2.192 nan 8.240 nan 0.000 0.488 364 A N 1.717 124.592 122.820 0.091 0.000 2.606 364 A HA 0.866 5.186 4.320 0.001 0.000 0.293 364 A C -1.455 176.212 177.584 0.137 0.000 1.082 364 A CA -0.863 51.251 52.037 0.129 0.000 0.685 364 A CB 1.670 20.742 19.000 0.120 0.000 1.284 364 A HN 1.105 nan 8.150 nan 0.000 0.408 365 D N -0.754 119.741 120.400 0.158 0.000 2.714 365 D HA 0.556 5.196 4.640 0.001 0.000 0.278 365 D C 0.971 177.376 176.300 0.175 0.000 1.102 365 D CA 0.154 54.266 54.000 0.188 0.000 1.108 365 D CB 0.503 41.416 40.800 0.190 0.000 1.444 365 D HN 0.600 nan 8.370 nan 0.000 0.568 366 G N -1.261 107.652 108.800 0.188 0.000 2.484 366 G HA2 -0.099 3.862 3.960 0.001 0.000 0.218 366 G HA3 -0.099 3.862 3.960 0.001 0.000 0.218 366 G C 0.461 175.439 174.900 0.131 0.000 1.130 366 G CA 0.292 45.479 45.100 0.144 0.000 0.784 366 G HN 0.510 nan 8.290 nan 0.000 0.543 367 D N 0.546 121.031 120.400 0.141 0.000 2.325 367 D HA 0.186 4.827 4.640 0.001 0.000 0.234 367 D C 1.842 178.228 176.300 0.143 0.000 1.122 367 D CA 0.685 54.760 54.000 0.125 0.000 0.850 367 D CB 0.033 40.902 40.800 0.115 0.000 0.921 367 D HN 0.348 nan 8.370 nan 0.000 0.513 368 G N 1.267 110.164 108.800 0.161 0.000 2.162 368 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 368 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 368 G C 0.240 175.311 174.900 0.286 0.000 0.976 368 G CA -0.382 44.841 45.100 0.205 0.000 0.655 368 G HN 0.234 nan 8.290 nan 0.000 0.533 369 N N 0.377 119.215 118.700 0.231 0.000 2.529 369 N HA 0.682 5.422 4.740 0.001 0.000 0.278 369 N C 0.367 176.031 175.510 0.255 0.000 1.146 369 N CA 0.476 53.669 53.050 0.238 0.000 0.980 369 N CB 0.833 39.412 38.487 0.153 0.000 1.124 369 N HN 0.370 nan 8.380 nan 0.000 0.458 370 M N 1.128 120.918 119.600 0.316 0.000 2.421 370 M HA 0.321 4.801 4.480 0.001 0.000 0.287 370 M C -1.226 175.302 176.300 0.380 0.000 1.183 370 M CA -0.931 54.585 55.300 0.359 0.000 0.916 370 M CB 2.823 35.724 32.600 0.501 0.000 1.701 370 M HN 0.209 nan 8.290 nan 0.000 0.470 371 V N 1.224 121.339 119.914 0.334 0.000 2.760 371 V HA 0.659 4.779 4.120 0.001 0.000 0.309 371 V C -1.318 174.976 176.094 0.334 0.000 1.077 371 V CA -0.156 62.343 62.300 0.331 0.000 0.910 371 V CB 2.299 34.271 31.823 0.247 0.000 1.008 371 V HN 0.900 nan 8.190 nan 0.000 0.424 372 S N 6.502 122.448 115.700 0.410 0.000 2.434 372 S HA 0.623 5.093 4.470 0.001 0.000 0.318 372 S C -1.082 173.732 174.600 0.356 0.000 1.062 372 S CA -0.388 58.047 58.200 0.392 0.000 1.116 372 S CB -0.076 63.403 63.200 0.465 0.000 0.977 372 S HN 0.734 nan 8.310 nan 0.000 0.480 373 F N 5.353 125.340 119.950 0.061 0.000 2.495 373 F HA 0.769 5.296 4.527 0.001 0.000 0.327 373 F C -0.666 175.182 175.800 0.079 0.000 1.103 373 F CA -0.914 57.131 58.000 0.074 0.000 0.949 373 F CB 1.148 40.160 39.000 0.021 0.000 1.142 373 F HN 0.508 nan 8.300 nan 0.000 0.457 374 I N 5.802 126.208 120.570 -0.274 0.000 2.692 374 I HA 0.334 4.505 4.170 0.001 0.000 0.293 374 I C -1.959 174.062 176.117 -0.159 0.000 1.200 374 I CA -0.191 61.116 61.300 0.011 0.000 1.036 374 I CB 1.891 40.023 38.000 0.219 0.000 1.258 374 I HN 0.795 nan 8.210 nan 0.000 0.421 375 Q N 5.204 125.047 119.800 0.072 0.000 2.416 375 Q HA 0.752 5.092 4.340 0.001 0.000 0.281 375 Q C -1.817 174.265 176.000 0.137 0.000 1.067 375 Q CA -0.800 55.068 55.803 0.108 0.000 0.809 375 Q CB 2.397 31.271 28.738 0.227 0.000 1.418 375 Q HN 0.526 nan 8.270 nan 0.000 0.411 376 S N 0.356 116.141 115.700 0.142 0.000 2.537 376 S HA 0.370 4.840 4.470 0.001 0.000 0.271 376 S C -1.143 173.544 174.600 0.145 0.000 1.148 376 S CA -0.602 57.676 58.200 0.130 0.000 0.868 376 S CB 1.451 64.736 63.200 0.141 0.000 1.115 376 S HN 0.698 nan 8.310 nan 0.000 0.461 377 N N 2.109 120.882 118.700 0.121 0.000 2.322 377 N HA 0.200 4.940 4.740 0.001 0.000 0.216 377 N C 0.494 176.128 175.510 0.207 0.000 1.144 377 N CA 0.175 53.317 53.050 0.152 0.000 0.830 377 N CB -0.675 37.891 38.487 0.132 0.000 1.034 377 N HN 0.611 nan 8.380 nan 0.000 0.484 378 Y N 0.108 120.416 120.300 0.013 0.000 2.782 378 Y HA -0.420 4.131 4.550 0.000 0.000 0.474 378 Y C -0.230 175.656 175.900 -0.022 0.000 1.124 378 Y CA 1.363 59.444 58.100 -0.032 0.000 2.806 378 Y CB -1.051 37.377 38.460 -0.054 0.000 1.130 378 Y HN 0.141 nan 8.280 nan 0.000 0.610 379 M N 1.851 121.316 119.600 -0.225 0.000 2.435 379 M HA 0.341 4.822 4.480 0.001 0.000 0.344 379 M C 1.134 177.413 176.300 -0.035 0.000 1.329 379 M CA 0.690 55.816 55.300 -0.290 0.000 1.320 379 M CB 0.110 32.482 32.600 -0.380 0.000 1.309 379 M HN 0.839 nan 8.290 nan 0.000 0.451 380 G N 2.102 110.856 108.800 -0.076 0.000 2.629 380 G HA2 -0.349 3.612 3.960 0.001 0.000 0.313 380 G HA3 -0.349 3.612 3.960 0.001 0.000 0.313 380 G C 0.294 175.145 174.900 -0.082 0.000 1.217 380 G CA 0.472 45.522 45.100 -0.083 0.000 0.994 380 G HN 0.628 nan 8.290 nan 0.000 0.549 381 F N 3.322 123.264 119.950 -0.013 0.000 2.546 381 F HA 0.325 4.852 4.527 0.000 0.000 0.298 381 F C 2.248 178.144 175.800 0.160 0.000 1.120 381 F CA 2.365 60.389 58.000 0.040 0.000 1.456 381 F CB -0.194 38.913 39.000 0.179 0.000 1.088 381 F HN 1.430 nan 8.300 nan 0.000 0.572 382 G N 0.040 109.035 108.800 0.325 0.000 2.513 382 G HA2 -0.322 3.638 3.960 0.001 0.000 0.227 382 G HA3 -0.322 3.638 3.960 0.001 0.000 0.227 382 G C 1.032 176.151 174.900 0.366 0.000 1.176 382 G CA 0.119 45.396 45.100 0.296 0.000 0.967 382 G HN 0.358 nan 8.290 nan 0.000 0.587 383 S N 0.232 116.112 115.700 0.299 0.000 2.428 383 S HA 0.337 4.807 4.470 0.001 0.000 0.230 383 S C 2.559 177.220 174.600 0.102 0.000 1.014 383 S CA 2.023 60.380 58.200 0.261 0.000 0.957 383 S CB 0.023 63.346 63.200 0.205 0.000 0.784 383 S HN 2.901 nan 8.310 nan 0.000 0.499 384 G N 0.074 108.886 108.800 0.020 0.000 2.213 384 G HA2 -0.239 3.721 3.960 0.001 0.000 0.236 384 G HA3 -0.239 3.721 3.960 0.001 0.000 0.236 384 G C 0.077 174.943 174.900 -0.056 0.000 0.991 384 G CA -0.050 44.797 45.100 -0.422 0.000 0.629 384 G HN 0.792 nan 8.290 nan 0.000 0.517 385 V N 1.863 121.775 119.914 -0.003 0.000 2.415 385 V HA 0.457 4.578 4.120 0.001 0.000 0.267 385 V C 0.607 176.789 176.094 0.147 0.000 1.042 385 V CA -0.123 62.177 62.300 0.000 0.000 1.000 385 V CB 1.363 33.142 31.823 -0.074 0.000 1.015 385 V HN 0.305 nan 8.190 nan 0.000 0.478 386 V N 6.159 126.133 119.914 0.099 0.000 2.384 386 V HA 0.306 4.426 4.120 0.001 0.000 0.287 386 V C 0.114 176.035 176.094 -0.288 0.000 1.020 386 V CA -0.738 61.601 62.300 0.065 0.000 0.850 386 V CB 1.959 33.888 31.823 0.177 0.000 0.987 386 V HN 0.605 nan 8.190 nan 0.000 0.436 387 V N 8.606 128.375 119.914 -0.241 0.000 2.485 387 V HA 0.122 4.242 4.120 0.001 0.000 0.287 387 V C -1.694 174.178 176.094 -0.370 0.000 1.022 387 V CA -1.074 60.967 62.300 -0.432 0.000 1.067 387 V CB 0.632 32.390 31.823 -0.108 0.000 0.967 387 V HN 0.746 nan 8.190 nan 0.000 0.479 388 P HA 0.092 nan 4.420 nan 0.000 0.265 388 P C 0.961 178.187 177.300 -0.124 0.000 1.193 388 P CA 1.121 64.068 63.100 -0.256 0.000 0.765 388 P CB 0.751 32.341 31.700 -0.184 0.000 0.823 389 G N 2.181 110.930 108.800 -0.085 0.000 2.189 389 G HA2 -0.306 3.654 3.960 0.001 0.000 0.267 389 G HA3 -0.306 3.654 3.960 0.001 0.000 0.267 389 G C 0.796 175.669 174.900 -0.045 0.000 0.975 389 G CA 0.803 45.873 45.100 -0.050 0.000 0.644 389 G HN 0.700 nan 8.290 nan 0.000 0.537 390 T N -1.174 113.341 114.554 -0.065 0.000 2.975 390 T HA 0.447 4.797 4.350 0.001 0.000 0.257 390 T C 2.008 176.645 174.700 -0.106 0.000 1.003 390 T CA 1.804 63.875 62.100 -0.050 0.000 0.932 390 T CB -0.472 68.382 68.868 -0.024 0.000 1.087 390 T HN 2.098 nan 8.240 nan 0.000 0.512 391 G N 1.960 110.670 108.800 -0.150 0.000 2.168 391 G HA2 -0.220 3.740 3.960 0.001 0.000 0.257 391 G HA3 -0.220 3.740 3.960 0.001 0.000 0.257 391 G C 0.124 174.837 174.900 -0.311 0.000 0.997 391 G CA 0.397 45.293 45.100 -0.340 0.000 0.708 391 G HN 0.636 nan 8.290 nan 0.000 0.520 392 I N 1.580 122.116 120.570 -0.056 0.000 2.278 392 I HA 0.441 4.611 4.170 0.001 0.000 0.296 392 I C 1.056 177.297 176.117 0.207 0.000 1.121 392 I CA -0.061 61.301 61.300 0.102 0.000 1.267 392 I CB 0.824 38.928 38.000 0.173 0.000 1.447 392 I HN 0.293 nan 8.210 nan 0.000 0.509 393 A N 8.541 131.560 122.820 0.332 0.000 2.347 393 A HA 0.530 4.850 4.320 0.001 0.000 0.287 393 A C 0.242 178.032 177.584 0.344 0.000 1.199 393 A CA -0.493 51.811 52.037 0.446 0.000 0.851 393 A CB 0.200 19.578 19.000 0.630 0.000 1.118 393 A HN 0.574 nan 8.150 nan 0.000 0.525 394 M N 2.794 122.590 119.600 0.326 0.000 2.211 394 M HA 0.156 4.636 4.480 0.001 0.000 0.356 394 M C 0.804 177.270 176.300 0.275 0.000 1.216 394 M CA -0.041 55.440 55.300 0.301 0.000 1.134 394 M CB 0.774 33.600 32.600 0.376 0.000 1.564 394 M HN 0.904 nan 8.290 nan 0.000 0.463 395 Q N 2.682 122.621 119.800 0.231 0.000 2.524 395 Q HA 0.096 4.436 4.340 0.001 0.000 0.246 395 Q C 0.154 176.287 176.000 0.221 0.000 1.063 395 Q CA -0.095 55.836 55.803 0.213 0.000 0.945 395 Q CB 0.312 29.152 28.738 0.171 0.000 1.292 395 Q HN 0.682 nan 8.270 nan 0.000 0.518 396 N N 0.479 119.319 118.700 0.233 0.000 2.401 396 N HA 0.041 4.781 4.740 0.001 0.000 0.264 396 N C 0.624 176.278 175.510 0.241 0.000 1.238 396 N CA -0.345 52.843 53.050 0.229 0.000 0.889 396 N CB 0.416 39.012 38.487 0.182 0.000 1.196 396 N HN 0.625 nan 8.380 nan 0.000 0.511 397 R N 1.218 121.785 120.500 0.111 0.000 2.133 397 R HA -0.050 4.290 4.340 0.001 0.000 0.247 397 R C 1.968 178.158 176.300 -0.183 0.000 1.151 397 R CA 1.961 57.957 56.100 -0.173 0.000 0.971 397 R CB -1.237 28.955 30.300 -0.179 0.000 0.866 397 R HN 0.403 nan 8.270 nan 0.000 0.447 398 G N -1.135 107.688 108.800 0.039 0.000 2.517 398 G HA2 -0.365 3.595 3.960 0.001 0.000 0.222 398 G HA3 -0.365 3.595 3.960 0.001 0.000 0.222 398 G C 1.340 176.345 174.900 0.175 0.000 1.109 398 G CA 1.334 46.546 45.100 0.187 0.000 0.746 398 G HN 0.631 nan 8.290 nan 0.000 0.576 399 H N 0.707 119.801 119.070 0.039 0.000 2.489 399 H HA -0.001 4.555 4.556 0.001 0.000 0.295 399 H C 2.298 177.632 175.328 0.010 0.000 1.082 399 H CA 1.460 57.543 56.048 0.058 0.000 1.295 399 H CB -0.008 29.844 29.762 0.150 0.000 1.380 399 H HN 0.258 nan 8.280 nan 0.000 0.548 400 N N -0.211 118.401 118.700 -0.147 0.000 2.512 400 N HA -0.103 4.637 4.740 0.001 0.000 0.183 400 N C -0.445 174.933 175.510 -0.220 0.000 1.073 400 N CA 0.278 53.189 53.050 -0.231 0.000 0.911 400 N CB -0.086 38.156 38.487 -0.408 0.000 0.964 400 N HN 0.168 nan 8.380 nan 0.000 0.447 401 F N 0.826 120.704 119.950 -0.120 0.000 2.506 401 F HA 0.057 4.584 4.527 0.000 0.000 0.351 401 F C 1.286 176.987 175.800 -0.164 0.000 1.136 401 F CA -0.183 57.753 58.000 -0.107 0.000 1.298 401 F CB 0.613 39.565 39.000 -0.080 0.000 1.145 401 F HN -0.303 nan 8.300 nan 0.000 0.593 402 S N 2.869 118.609 115.700 0.067 0.000 2.585 402 S HA 0.488 4.959 4.470 0.001 0.000 0.277 402 S C 0.408 174.995 174.600 -0.022 0.000 1.241 402 S CA -0.687 57.460 58.200 -0.088 0.000 1.041 402 S CB 0.488 63.517 63.200 -0.284 0.000 0.987 402 S HN 0.631 nan 8.310 nan 0.000 0.512 403 L N 2.520 123.716 121.223 -0.044 0.000 2.769 403 L HA 0.334 4.675 4.340 0.001 0.000 0.240 403 L C -0.056 176.808 176.870 -0.010 0.000 1.163 403 L CA -0.096 54.730 54.840 -0.024 0.000 0.962 403 L CB 0.152 42.201 42.059 -0.018 0.000 1.258 403 L HN 0.555 nan 8.230 nan 0.000 0.513 404 D N 0.844 121.241 120.400 -0.005 0.000 2.347 404 D HA 0.172 4.812 4.640 0.001 0.000 0.235 404 D C -1.640 174.692 176.300 0.053 0.000 1.149 404 D CA -2.022 51.993 54.000 0.025 0.000 0.850 404 D CB 1.677 42.499 40.800 0.038 0.000 1.061 404 D HN -0.135 nan 8.370 nan 0.000 0.487 405 P HA -0.036 nan 4.420 nan 0.000 0.222 405 P C 0.227 177.557 177.300 0.051 0.000 1.147 405 P CA 0.957 64.078 63.100 0.036 0.000 0.790 405 P CB 0.182 31.893 31.700 0.018 0.000 0.780 406 N N -2.628 116.106 118.700 0.056 0.000 2.412 406 N HA -0.048 4.692 4.740 0.001 0.000 0.184 406 N C 0.497 176.038 175.510 0.052 0.000 1.101 406 N CA -0.094 52.983 53.050 0.045 0.000 0.881 406 N CB -0.380 38.124 38.487 0.028 0.000 0.969 406 N HN 0.271 nan 8.380 nan 0.000 0.459 407 H N 0.577 119.647 119.070 0.001 0.000 2.582 407 H HA 0.062 4.618 4.556 0.000 0.000 0.345 407 H C 0.479 175.821 175.328 0.024 0.000 1.104 407 H CA -0.207 55.839 56.048 -0.004 0.000 1.390 407 H CB 0.804 30.558 29.762 -0.013 0.000 1.461 407 H HN 0.009 nan 8.280 nan 0.000 0.551 408 D N 2.607 123.003 120.400 -0.006 0.000 2.178 408 D HA -0.180 4.461 4.640 0.001 0.000 0.201 408 D C 0.716 177.163 176.300 0.246 0.000 0.980 408 D CA 1.138 55.203 54.000 0.109 0.000 0.842 408 D CB -0.030 40.805 40.800 0.059 0.000 0.948 408 D HN 0.515 nan 8.370 nan 0.000 0.472 409 N N 0.222 119.188 118.700 0.444 0.000 2.466 409 N HA 0.194 4.934 4.740 0.001 0.000 0.251 409 N C -0.754 174.932 175.510 0.294 0.000 1.164 409 N CA -0.204 53.049 53.050 0.339 0.000 0.888 409 N CB 0.018 38.653 38.487 0.247 0.000 1.177 409 N HN -0.032 nan 8.380 nan 0.000 0.498 410 A N 0.380 123.341 122.820 0.235 0.000 2.462 410 A HA 0.234 4.555 4.320 0.001 0.000 0.243 410 A C 0.052 177.680 177.584 0.073 0.000 1.076 410 A CA -0.467 51.649 52.037 0.132 0.000 0.773 410 A CB 0.099 19.149 19.000 0.083 0.000 1.010 410 A HN 0.500 nan 8.150 nan 0.000 0.493 411 L N 1.537 122.699 121.223 -0.102 0.000 2.462 411 L HA 0.471 4.811 4.340 0.001 0.000 0.272 411 L C 0.032 176.665 176.870 -0.394 0.000 1.166 411 L CA 0.941 55.440 54.840 -0.567 0.000 0.880 411 L CB -0.009 41.729 42.059 -0.536 0.000 1.142 411 L HN 0.662 nan 8.230 nan 0.000 0.473 412 K N 6.376 126.495 120.400 -0.468 0.000 2.498 412 K HA 0.612 4.932 4.320 0.001 0.000 0.254 412 K C -2.712 173.745 176.600 -0.239 0.000 0.933 412 K CA -1.891 54.256 56.287 -0.234 0.000 0.806 412 K CB 2.127 34.571 32.500 -0.094 0.000 1.301 412 K HN 0.366 nan 8.250 nan 0.000 0.432 413 P HA 0.082 nan 4.420 nan 0.000 0.268 413 P C 0.210 177.483 177.300 -0.045 0.000 1.204 413 P CA 0.569 63.605 63.100 -0.106 0.000 0.768 413 P CB 0.769 32.429 31.700 -0.066 0.000 0.842 414 G N 1.385 110.178 108.800 -0.011 0.000 2.179 414 G HA2 -0.270 3.691 3.960 0.001 0.000 0.257 414 G HA3 -0.270 3.691 3.960 0.001 0.000 0.257 414 G C 0.084 175.023 174.900 0.066 0.000 1.010 414 G CA 0.361 45.481 45.100 0.034 0.000 0.736 414 G HN 0.775 nan 8.290 nan 0.000 0.513 415 K N 0.339 120.791 120.400 0.086 0.000 2.207 415 K HA 0.586 4.906 4.320 0.001 0.000 0.255 415 K C 0.654 177.463 176.600 0.349 0.000 0.941 415 K CA -1.165 55.226 56.287 0.174 0.000 0.825 415 K CB 0.812 33.400 32.500 0.146 0.000 1.119 415 K HN 0.375 nan 8.250 nan 0.000 0.430 416 R N 1.573 122.247 120.500 0.290 0.000 2.532 416 R HA 0.269 4.610 4.340 0.001 0.000 0.295 416 R C -0.388 175.997 176.300 0.142 0.000 0.968 416 R CA -0.720 55.529 56.100 0.249 0.000 0.916 416 R CB 1.486 31.883 30.300 0.160 0.000 1.124 416 R HN 0.539 nan 8.270 nan 0.000 0.463 417 T N 1.103 115.541 114.554 -0.193 0.000 2.874 417 T HA 0.085 4.435 4.350 0.001 0.000 0.281 417 T C -0.455 174.173 174.700 -0.120 0.000 0.994 417 T CA -0.500 61.312 62.100 -0.480 0.000 1.015 417 T CB 0.257 68.319 68.868 -1.344 0.000 1.028 417 T HN 0.458 nan 8.240 nan 0.000 0.523 418 Y N 4.056 124.253 120.300 -0.171 0.000 2.921 418 Y HA -0.037 4.513 4.550 0.001 0.000 0.366 418 Y C 0.369 176.159 175.900 -0.183 0.000 1.280 418 Y CA 0.800 58.843 58.100 -0.095 0.000 1.630 418 Y CB -0.262 38.171 38.460 -0.045 0.000 1.151 418 Y HN 0.582 nan 8.280 nan 0.000 0.552 419 H N 5.116 123.901 119.070 -0.476 0.000 2.489 419 H HA 0.176 4.732 4.556 0.000 0.000 0.343 419 H C 0.890 175.873 175.328 -0.576 0.000 1.086 419 H CA 0.362 56.163 56.048 -0.411 0.000 1.198 419 H CB 1.876 31.493 29.762 -0.242 0.000 1.490 419 H HN 0.850 nan 8.280 nan 0.000 0.504 420 T N 1.439 115.768 114.554 -0.375 0.000 2.978 420 T HA 0.130 4.480 4.350 0.001 0.000 0.262 420 T C 1.380 175.921 174.700 -0.264 0.000 1.063 420 T CA 0.018 61.896 62.100 -0.370 0.000 1.140 420 T CB 0.164 68.800 68.868 -0.386 0.000 0.886 420 T HN 0.413 nan 8.240 nan 0.000 0.470 421 I N 3.481 123.991 120.570 -0.099 0.000 2.752 421 I HA 0.130 4.300 4.170 0.001 0.000 0.286 421 I C -0.159 175.703 176.117 -0.424 0.000 1.180 421 I CA 0.337 61.553 61.300 -0.139 0.000 1.404 421 I CB 0.043 38.075 38.000 0.054 0.000 1.389 421 I HN 0.451 nan 8.210 nan 0.000 0.549 422 I N 6.630 126.999 120.570 -0.336 0.000 2.529 422 I HA 0.508 4.679 4.170 0.001 0.000 0.284 422 I C -2.880 173.134 176.117 -0.171 0.000 1.088 422 I CA -2.148 58.925 61.300 -0.379 0.000 1.062 422 I CB 2.133 39.843 38.000 -0.483 0.000 1.218 422 I HN 0.154 nan 8.210 nan 0.000 0.442 423 P HA 0.374 nan 4.420 nan 0.000 0.292 423 P C -0.017 177.252 177.300 -0.052 0.000 1.287 423 P CA 0.219 63.328 63.100 0.015 0.000 0.800 423 P CB 1.782 33.576 31.700 0.158 0.000 0.945 424 G N 2.021 110.579 108.800 -0.403 0.000 2.434 424 G HA2 0.652 4.612 3.960 0.001 0.000 0.330 424 G HA3 0.652 4.612 3.960 0.001 0.000 0.330 424 G C -1.904 172.775 174.900 -0.368 0.000 1.155 424 G CA -0.545 44.090 45.100 -0.774 0.000 0.917 424 G HN 0.418 nan 8.290 nan 0.000 0.493 425 F N 0.055 120.041 119.950 0.061 0.000 2.591 425 F HA 0.595 5.122 4.527 0.000 0.000 0.309 425 F C -1.093 175.134 175.800 0.711 0.000 1.098 425 F CA -0.942 57.309 58.000 0.420 0.000 0.937 425 F CB 2.385 41.556 39.000 0.286 0.000 1.250 425 F HN 0.455 nan 8.300 nan 0.000 0.447 426 L N 3.341 124.831 121.223 0.445 0.000 2.334 426 L HA 0.803 5.144 4.340 0.001 0.000 0.276 426 L C -0.796 176.259 176.870 0.308 0.000 1.014 426 L CA 0.043 55.087 54.840 0.340 0.000 0.815 426 L CB 2.033 44.024 42.059 -0.114 0.000 1.268 426 L HN 0.636 nan 8.230 nan 0.000 0.428 427 T N 3.911 118.698 114.554 0.387 0.000 2.956 427 T HA 0.434 4.784 4.350 0.001 0.000 0.312 427 T C -1.449 173.358 174.700 0.178 0.000 1.151 427 T CA -0.720 61.558 62.100 0.297 0.000 1.024 427 T CB 1.617 70.833 68.868 0.581 0.000 1.140 427 T HN 0.554 nan 8.240 nan 0.000 0.473 428 K N 2.700 123.102 120.400 0.003 0.000 2.545 428 K HA 0.367 4.687 4.320 0.001 0.000 0.252 428 K C -0.487 176.056 176.600 -0.094 0.000 0.948 428 K CA -0.564 55.622 56.287 -0.167 0.000 0.827 428 K CB 0.508 32.733 32.500 -0.459 0.000 1.128 428 K HN 0.617 nan 8.250 nan 0.000 0.429 429 N N 3.762 122.431 118.700 -0.053 0.000 2.714 429 N HA -0.221 4.519 4.740 0.001 0.000 0.253 429 N C -0.595 174.945 175.510 0.050 0.000 1.024 429 N CA 1.608 54.653 53.050 -0.009 0.000 0.726 429 N CB -1.048 37.409 38.487 -0.050 0.000 0.908 429 N HN 1.039 nan 8.380 nan 0.000 0.542 430 D N -1.897 118.577 120.400 0.123 0.000 3.039 430 D HA -0.204 4.436 4.640 0.001 0.000 0.222 430 D C -0.640 175.764 176.300 0.175 0.000 1.179 430 D CA 1.431 55.552 54.000 0.201 0.000 0.880 430 D CB -0.187 40.721 40.800 0.180 0.000 1.115 430 D HN 0.461 nan 8.370 nan 0.000 0.416 431 Q N 0.102 119.922 119.800 0.035 0.000 2.282 431 Q HA 0.458 4.798 4.340 0.001 0.000 0.260 431 Q C -2.309 173.519 176.000 -0.287 0.000 0.964 431 Q CA -1.644 54.119 55.803 -0.067 0.000 0.880 431 Q CB 1.730 30.438 28.738 -0.049 0.000 1.286 431 Q HN 0.231 nan 8.270 nan 0.000 0.445 432 P HA 0.157 nan 4.420 nan 0.000 0.281 432 P C 0.254 177.388 177.300 -0.277 0.000 1.252 432 P CA -0.002 62.653 63.100 -0.742 0.000 0.778 432 P CB 0.722 31.553 31.700 -1.448 0.000 0.895 433 I N 0.903 121.376 120.570 -0.162 0.000 3.790 433 I HA 0.515 4.685 4.170 0.001 0.000 0.305 433 I C 0.519 176.621 176.117 -0.024 0.000 1.253 433 I CA 0.153 61.377 61.300 -0.126 0.000 1.355 433 I CB 0.475 38.357 38.000 -0.196 0.000 1.137 433 I HN 0.471 nan 8.210 nan 0.000 0.435 434 G N 1.458 110.111 108.800 -0.246 0.000 2.339 434 G HA2 0.242 4.202 3.960 0.001 0.000 0.302 434 G HA3 0.242 4.202 3.960 0.001 0.000 0.302 434 G C -3.419 171.020 174.900 -0.767 0.000 1.425 434 G CA -0.709 44.205 45.100 -0.311 0.000 0.899 434 G HN -0.053 nan 8.290 nan 0.000 0.619 435 P HA 0.650 nan 4.420 nan 0.000 0.278 435 P C -0.980 176.391 177.300 0.117 0.000 1.238 435 P CA -0.275 62.776 63.100 -0.082 0.000 0.794 435 P CB 0.818 32.630 31.700 0.186 0.000 0.955 436 F N -0.939 119.009 119.950 -0.003 0.000 2.662 436 F HA 0.902 5.430 4.527 0.000 0.000 0.312 436 F C -0.843 174.686 175.800 -0.452 0.000 1.113 436 F CA -1.117 56.775 58.000 -0.181 0.000 0.951 436 F CB 1.346 40.196 39.000 -0.250 0.000 1.344 436 F HN 0.585 nan 8.300 nan 0.000 0.462 437 G N 0.219 108.541 108.800 -0.797 0.000 2.691 437 G HA2 0.529 4.489 3.960 0.001 0.000 0.298 437 G HA3 0.529 4.489 3.960 0.001 0.000 0.298 437 G C -2.622 171.900 174.900 -0.629 0.000 1.471 437 G CA -0.802 43.558 45.100 -1.234 0.000 0.912 437 G HN 0.891 nan 8.290 nan 0.000 0.553 438 V N 4.523 124.301 119.914 -0.228 0.000 2.289 438 V HA 0.347 4.467 4.120 0.001 0.000 0.272 438 V C 0.790 176.876 176.094 -0.013 0.000 1.026 438 V CA -0.847 61.417 62.300 -0.060 0.000 0.807 438 V CB 1.151 32.989 31.823 0.025 0.000 1.044 438 V HN 0.912 nan 8.190 nan 0.000 0.443 439 M N 2.985 122.569 119.600 -0.028 0.000 2.101 439 M HA 0.011 4.492 4.480 0.001 0.000 0.355 439 M C 0.961 177.259 176.300 -0.004 0.000 0.971 439 M CA 2.306 57.609 55.300 0.005 0.000 0.822 439 M CB -0.065 32.554 32.600 0.032 0.000 1.627 439 M HN 1.068 nan 8.290 nan 0.000 0.476 440 G N 2.355 111.145 108.800 -0.016 0.000 2.244 440 G HA2 0.308 4.268 3.960 0.001 0.000 0.163 440 G HA3 0.308 4.268 3.960 0.001 0.000 0.163 440 G C 0.642 175.538 174.900 -0.008 0.000 1.064 440 G CA 0.306 45.394 45.100 -0.020 0.000 0.757 440 G HN 1.772 nan 8.290 nan 0.000 0.484 441 G N 0.123 108.906 108.800 -0.029 0.000 2.574 441 G HA2 -0.267 3.693 3.960 0.001 0.000 0.301 441 G HA3 -0.267 3.693 3.960 0.001 0.000 0.301 441 G C 0.902 175.751 174.900 -0.085 0.000 1.166 441 G CA 0.944 46.007 45.100 -0.062 0.000 0.971 441 G HN 0.964 nan 8.290 nan 0.000 0.542 442 F N 0.896 120.936 119.950 0.150 0.000 2.789 442 F HA 0.340 4.867 4.527 0.001 0.000 0.300 442 F C 2.594 178.575 175.800 0.302 0.000 1.132 442 F CA 1.408 59.576 58.000 0.280 0.000 1.404 442 F CB 0.110 39.191 39.000 0.136 0.000 1.114 442 F HN 0.314 nan 8.300 nan 0.000 0.584 443 M N 0.283 120.045 119.600 0.270 0.000 2.229 443 M HA -0.180 4.300 4.480 0.001 0.000 0.264 443 M C 2.047 178.442 176.300 0.159 0.000 1.063 443 M CA 1.727 57.140 55.300 0.188 0.000 1.114 443 M CB -0.427 32.211 32.600 0.064 0.000 1.387 443 M HN 0.125 nan 8.290 nan 0.000 0.420 444 Q N 0.343 120.195 119.800 0.087 0.000 2.029 444 Q HA -0.210 4.130 4.340 0.001 0.000 0.209 444 Q C -0.490 175.439 176.000 -0.117 0.000 0.999 444 Q CA 2.405 58.183 55.803 -0.041 0.000 0.857 444 Q CB -1.983 26.656 28.738 -0.165 0.000 0.926 444 Q HN 0.439 nan 8.270 nan 0.000 0.415 445 P HA -0.165 nan 4.420 nan 0.000 0.217 445 P C 0.976 178.283 177.300 0.012 0.000 1.150 445 P CA 1.363 64.347 63.100 -0.193 0.000 0.832 445 P CB -0.116 31.364 31.700 -0.367 0.000 0.787 446 Q N -0.852 119.015 119.800 0.111 0.000 2.079 446 Q HA -0.063 4.277 4.340 0.001 0.000 0.200 446 Q C 2.427 178.354 176.000 -0.121 0.000 0.974 446 Q CA 1.651 57.478 55.803 0.041 0.000 0.840 446 Q CB -1.162 27.633 28.738 0.095 0.000 0.898 446 Q HN 0.273 nan 8.270 nan 0.000 0.430 447 G N 0.560 109.347 108.800 -0.021 0.000 2.408 447 G HA2 -0.240 3.721 3.960 0.001 0.000 0.217 447 G HA3 -0.240 3.721 3.960 0.001 0.000 0.217 447 G C 1.100 176.051 174.900 0.085 0.000 1.150 447 G CA 0.611 45.708 45.100 -0.004 0.000 0.776 447 G HN 0.395 nan 8.290 nan 0.000 0.542 448 H N -0.712 118.359 119.070 0.002 0.000 2.353 448 H HA -0.007 4.549 4.556 0.000 0.000 0.300 448 H C 2.526 177.857 175.328 0.004 0.000 1.090 448 H CA 1.321 57.437 56.048 0.114 0.000 1.327 448 H CB 0.017 29.861 29.762 0.136 0.000 1.383 448 H HN 0.313 nan 8.280 nan 0.000 0.508 449 M N 0.775 120.431 119.600 0.093 0.000 2.117 449 M HA -0.217 4.263 4.480 0.001 0.000 0.262 449 M C 2.115 178.386 176.300 -0.048 0.000 1.065 449 M CA 1.645 56.944 55.300 -0.002 0.000 1.114 449 M CB 0.081 32.727 32.600 0.078 0.000 1.361 449 M HN 0.274 nan 8.290 nan 0.000 0.408 450 Q N -0.627 119.140 119.800 -0.054 0.000 2.016 450 Q HA -0.169 4.172 4.340 0.001 0.000 0.200 450 Q C 2.017 177.978 176.000 -0.066 0.000 0.978 450 Q CA 2.132 57.903 55.803 -0.054 0.000 0.833 450 Q CB -0.415 28.223 28.738 -0.166 0.000 0.895 450 Q HN 0.661 nan 8.270 nan 0.000 0.427 451 V N -1.952 117.902 119.914 -0.100 0.000 2.490 451 V HA -0.220 3.900 4.120 0.001 0.000 0.250 451 V C 2.033 177.993 176.094 -0.223 0.000 1.061 451 V CA 1.259 63.478 62.300 -0.135 0.000 1.064 451 V CB -0.491 31.239 31.823 -0.154 0.000 0.670 451 V HN 0.265 nan 8.190 nan 0.000 0.461 452 M N -0.287 119.128 119.600 -0.308 0.000 2.099 452 M HA -0.016 4.464 4.480 0.001 0.000 0.262 452 M C 2.307 178.409 176.300 -0.329 0.000 1.067 452 M CA 2.066 57.124 55.300 -0.403 0.000 1.124 452 M CB -0.885 31.453 32.600 -0.438 0.000 1.353 452 M HN 0.403 nan 8.290 nan 0.000 0.410 453 M N -0.290 119.151 119.600 -0.265 0.000 2.132 453 M HA -0.186 4.294 4.480 0.001 0.000 0.263 453 M C 1.663 177.808 176.300 -0.259 0.000 1.065 453 M CA 1.190 56.315 55.300 -0.292 0.000 1.122 453 M CB -0.737 31.741 32.600 -0.202 0.000 1.365 453 M HN 0.235 nan 8.290 nan 0.000 0.411 454 N N 0.210 118.903 118.700 -0.012 0.000 2.137 454 N HA -0.124 4.617 4.740 0.001 0.000 0.190 454 N C 1.606 177.113 175.510 -0.005 0.000 1.017 454 N CA 1.836 54.953 53.050 0.111 0.000 0.859 454 N CB -0.673 37.848 38.487 0.057 0.000 1.002 454 N HN 0.342 nan 8.380 nan 0.000 0.428 455 T N 0.711 115.194 114.554 -0.119 0.000 2.814 455 T HA 0.183 4.533 4.350 0.001 0.000 0.254 455 T C 2.125 176.633 174.700 -0.320 0.000 1.037 455 T CA 0.499 62.497 62.100 -0.169 0.000 1.143 455 T CB 0.014 68.773 68.868 -0.181 0.000 0.866 455 T HN 0.092 nan 8.240 nan 0.000 0.431 456 I N 1.044 121.360 120.570 -0.423 0.000 2.339 456 I HA -0.052 4.118 4.170 0.001 0.000 0.245 456 I C 2.238 178.147 176.117 -0.348 0.000 1.096 456 I CA 1.001 62.011 61.300 -0.483 0.000 1.408 456 I CB -0.167 37.578 38.000 -0.425 0.000 1.092 456 I HN 0.091 nan 8.210 nan 0.000 0.423 457 D N 0.550 120.658 120.400 -0.488 0.000 2.149 457 D HA -0.075 4.566 4.640 0.001 0.000 0.201 457 D C 1.537 177.426 176.300 -0.686 0.000 0.972 457 D CA 1.574 55.113 54.000 -0.769 0.000 0.835 457 D CB 0.138 40.035 40.800 -1.505 0.000 0.966 457 D HN 0.300 nan 8.370 nan 0.000 0.476 458 F N -0.912 118.991 119.950 -0.078 0.000 2.706 458 F HA 0.334 4.861 4.527 0.000 0.000 0.313 458 F C 1.554 177.322 175.800 -0.052 0.000 1.096 458 F CA -0.210 57.743 58.000 -0.079 0.000 1.219 458 F CB 0.194 39.105 39.000 -0.149 0.000 1.051 458 F HN -0.105 nan 8.300 nan 0.000 0.568 459 G N 1.636 110.462 108.800 0.042 0.000 2.221 459 G HA2 -0.264 3.696 3.960 0.001 0.000 0.265 459 G HA3 -0.264 3.696 3.960 0.001 0.000 0.265 459 G C -0.224 174.710 174.900 0.058 0.000 1.041 459 G CA -0.306 44.813 45.100 0.033 0.000 0.807 459 G HN 0.116 nan 8.290 nan 0.000 0.502 460 L N 0.853 122.114 121.223 0.063 0.000 2.371 460 L HA 0.411 4.751 4.340 0.001 0.000 0.272 460 L C 1.003 177.923 176.870 0.082 0.000 1.124 460 L CA -0.928 53.952 54.840 0.066 0.000 0.816 460 L CB 0.622 42.717 42.059 0.059 0.000 1.129 460 L HN 0.606 nan 8.230 nan 0.000 0.448 461 N N 4.636 123.383 118.700 0.080 0.000 2.371 461 N HA 0.180 4.921 4.740 0.001 0.000 0.243 461 N C -2.065 173.482 175.510 0.061 0.000 1.287 461 N CA -0.974 52.133 53.050 0.095 0.000 0.911 461 N CB -0.226 38.307 38.487 0.076 0.000 1.142 461 N HN 0.345 nan 8.380 nan 0.000 0.451 462 P HA -0.266 nan 4.420 nan 0.000 0.216 462 P C 1.107 178.330 177.300 -0.128 0.000 1.154 462 P CA 1.727 64.724 63.100 -0.172 0.000 0.865 462 P CB 0.224 31.704 31.700 -0.365 0.000 0.789 463 Q N 0.314 120.063 119.800 -0.086 0.000 1.994 463 Q HA -0.036 4.304 4.340 0.001 0.000 0.198 463 Q C 2.338 178.317 176.000 -0.034 0.000 0.976 463 Q CA 2.073 57.839 55.803 -0.062 0.000 0.828 463 Q CB -1.491 27.222 28.738 -0.042 0.000 0.894 463 Q HN 0.106 nan 8.270 nan 0.000 0.432 464 A N 0.632 123.446 122.820 -0.010 0.000 1.927 464 A HA -0.234 4.086 4.320 0.001 0.000 0.220 464 A C 2.298 179.881 177.584 -0.003 0.000 1.185 464 A CA 2.463 54.501 52.037 0.001 0.000 0.639 464 A CB -1.364 17.647 19.000 0.019 0.000 0.820 464 A HN 0.557 nan 8.150 nan 0.000 0.451 465 A N -1.186 121.632 122.820 -0.003 0.000 1.933 465 A HA 0.013 4.333 4.320 0.001 0.000 0.218 465 A C 1.979 179.547 177.584 -0.027 0.000 1.175 465 A CA 1.727 53.760 52.037 -0.006 0.000 0.628 465 A CB -0.406 18.595 19.000 0.001 0.000 0.814 465 A HN 0.407 nan 8.150 nan 0.000 0.444 466 L N 0.043 121.240 121.223 -0.043 0.000 2.131 466 L HA -0.064 4.277 4.340 0.001 0.000 0.206 466 L C 1.635 178.490 176.870 -0.026 0.000 1.087 466 L CA 1.634 56.450 54.840 -0.041 0.000 0.767 466 L CB -1.038 40.989 42.059 -0.054 0.000 0.917 466 L HN 0.324 nan 8.230 nan 0.000 0.441 467 D N 0.160 120.547 120.400 -0.023 0.000 2.178 467 D HA -0.040 4.600 4.640 0.001 0.000 0.201 467 D C 1.159 177.450 176.300 -0.015 0.000 0.980 467 D CA 0.788 54.777 54.000 -0.018 0.000 0.842 467 D CB -0.078 40.714 40.800 -0.014 0.000 0.948 467 D HN 0.245 nan 8.370 nan 0.000 0.472 468 A N 2.417 125.231 122.820 -0.009 0.000 2.565 468 A HA 0.183 4.503 4.320 0.001 0.000 0.237 468 A C -2.041 175.547 177.584 0.007 0.000 1.053 468 A CA -0.761 51.277 52.037 0.001 0.000 0.755 468 A CB -0.190 18.817 19.000 0.012 0.000 0.980 468 A HN -0.012 nan 8.150 nan 0.000 0.506 469 P HA 0.199 nan 4.420 nan 0.000 0.268 469 P C -0.592 176.775 177.300 0.111 0.000 1.204 469 P CA 0.268 63.381 63.100 0.022 0.000 0.768 469 P CB 0.577 32.283 31.700 0.011 0.000 0.842 470 R N 2.513 123.005 120.500 -0.013 0.000 2.732 470 R HA 0.557 4.897 4.340 0.001 0.000 0.278 470 R C -0.159 176.161 176.300 0.032 0.000 0.976 470 R CA -0.653 55.432 56.100 -0.025 0.000 0.963 470 R CB 1.764 32.030 30.300 -0.057 0.000 1.150 470 R HN 0.635 nan 8.270 nan 0.000 0.478 471 W N 1.175 122.593 121.300 0.197 0.000 2.655 471 W HA 0.516 5.177 4.660 0.001 0.000 0.358 471 W C -1.192 175.518 176.519 0.319 0.000 1.100 471 W CA -1.023 56.414 57.345 0.153 0.000 1.195 471 W CB 0.974 30.447 29.460 0.021 0.000 1.403 471 W HN 0.613 nan 8.180 nan 0.000 0.589 472 Q N 0.955 121.151 119.800 0.661 0.000 2.295 472 Q HA 0.321 4.661 4.340 0.001 0.000 0.268 472 Q C -2.074 174.231 176.000 0.509 0.000 1.010 472 Q CA -0.704 55.416 55.803 0.528 0.000 0.856 472 Q CB 2.061 30.923 28.738 0.207 0.000 1.349 472 Q HN 0.580 nan 8.270 nan 0.000 0.412 473 W N 4.489 126.023 121.300 0.389 0.000 2.261 473 W HA 0.445 5.106 4.660 0.000 0.000 0.323 473 W C 0.125 176.665 176.519 0.034 0.000 1.243 473 W CA 0.739 58.200 57.345 0.192 0.000 1.210 473 W CB 1.621 31.204 29.460 0.204 0.000 1.149 473 W HN 0.947 nan 8.180 nan 0.000 0.562 474 T N 1.316 115.291 114.554 -0.966 0.000 3.391 474 T HA 0.189 4.540 4.350 0.001 0.000 0.233 474 T C 0.991 174.767 174.700 -1.540 0.000 0.960 474 T CA 0.680 62.139 62.100 -1.067 0.000 1.342 474 T CB -0.141 68.416 68.868 -0.519 0.000 1.124 474 T HN 0.443 nan 8.240 nan 0.000 0.396 475 N N 1.184 119.312 118.700 -0.953 0.000 2.433 475 N HA 0.414 5.155 4.740 0.001 0.000 0.213 475 N C 1.705 177.130 175.510 -0.141 0.000 1.032 475 N CA 1.348 54.087 53.050 -0.519 0.000 1.047 475 N CB -0.467 37.865 38.487 -0.259 0.000 1.293 475 N HN 0.574 nan 8.380 nan 0.000 0.524 476 G N 0.162 109.011 108.800 0.082 0.000 2.467 476 G HA2 0.139 4.099 3.960 0.001 0.000 0.178 476 G HA3 0.139 4.099 3.960 0.001 0.000 0.178 476 G C 0.835 175.962 174.900 0.378 0.000 1.461 476 G CA -0.006 45.267 45.100 0.288 0.000 0.675 476 G HN 0.083 nan 8.290 nan 0.000 0.659 477 K N 0.540 121.063 120.400 0.205 0.000 2.358 477 K HA 0.243 4.564 4.320 0.001 0.000 0.197 477 K C 0.306 177.038 176.600 0.219 0.000 1.025 477 K CA -0.154 56.250 56.287 0.195 0.000 1.104 477 K CB 0.572 33.119 32.500 0.078 0.000 0.855 477 K HN 0.130 nan 8.250 nan 0.000 0.531 478 Q N 1.652 121.535 119.800 0.138 0.000 2.271 478 Q HA 0.093 4.434 4.340 0.001 0.000 0.273 478 Q C -0.702 175.344 176.000 0.076 0.000 1.051 478 Q CA 0.477 56.306 55.803 0.044 0.000 0.901 478 Q CB 1.202 29.888 28.738 -0.087 0.000 1.174 478 Q HN -0.086 nan 8.270 nan 0.000 0.385 479 V N 4.271 124.244 119.914 0.098 0.000 2.569 479 V HA 0.200 4.320 4.120 0.001 0.000 0.301 479 V C -0.256 175.877 176.094 0.066 0.000 1.044 479 V CA -0.821 61.554 62.300 0.125 0.000 0.874 479 V CB 1.951 33.840 31.823 0.110 0.000 1.002 479 V HN 0.681 nan 8.190 nan 0.000 0.424 480 Q N 2.852 122.716 119.800 0.107 0.000 2.293 480 Q HA 0.688 5.028 4.340 0.001 0.000 0.251 480 Q C -0.359 175.798 176.000 0.260 0.000 0.930 480 Q CA -0.427 55.467 55.803 0.153 0.000 0.893 480 Q CB 2.295 31.097 28.738 0.107 0.000 1.215 480 Q HN 0.754 nan 8.270 nan 0.000 0.425 481 V N -1.548 118.453 119.914 0.144 0.000 3.102 481 V HA 0.505 4.625 4.120 0.001 0.000 0.312 481 V C -0.542 175.432 176.094 -0.199 0.000 1.135 481 V CA -1.127 61.091 62.300 -0.137 0.000 1.022 481 V CB 2.047 33.453 31.823 -0.696 0.000 1.056 481 V HN 0.736 nan 8.190 nan 0.000 0.436 482 E N 2.112 121.997 120.200 -0.524 0.000 2.374 482 E HA 0.292 4.642 4.350 0.001 0.000 0.260 482 E C -1.877 174.657 176.600 -0.111 0.000 1.101 482 E CA -1.573 54.526 56.400 -0.502 0.000 0.907 482 E CB 1.392 30.740 29.700 -0.586 0.000 1.014 482 E HN 0.601 nan 8.360 nan 0.000 0.427 483 P HA -0.171 nan 4.420 nan 0.000 0.218 483 P C 1.126 178.433 177.300 0.011 0.000 1.146 483 P CA 1.381 64.482 63.100 0.002 0.000 0.813 483 P CB 0.142 31.848 31.700 0.009 0.000 0.778 484 T N -2.764 111.784 114.554 -0.010 0.000 3.107 484 T HA 0.074 4.424 4.350 0.001 0.000 0.249 484 T C 0.270 174.972 174.700 0.004 0.000 1.096 484 T CA -0.571 61.525 62.100 -0.008 0.000 1.012 484 T CB -0.964 67.888 68.868 -0.026 0.000 0.977 484 T HN -0.185 nan 8.240 nan 0.000 0.527 485 F N 4.615 124.490 119.950 -0.125 0.000 2.578 485 F HA 0.300 4.827 4.527 0.000 0.000 0.376 485 F C -1.777 173.957 175.800 -0.110 0.000 1.085 485 F CA -2.366 55.551 58.000 -0.139 0.000 1.260 485 F CB 0.666 39.564 39.000 -0.170 0.000 1.095 485 F HN 0.089 nan 8.300 nan 0.000 0.573 486 P HA -0.034 nan 4.420 nan 0.000 0.266 486 P C 0.680 177.933 177.300 -0.078 0.000 1.215 486 P CA 0.139 63.085 63.100 -0.256 0.000 0.763 486 P CB 1.067 32.562 31.700 -0.341 0.000 0.806 487 V N 3.096 123.011 119.914 0.002 0.000 2.343 487 V HA -0.243 3.877 4.120 0.001 0.000 0.247 487 V C 2.253 178.372 176.094 0.042 0.000 1.051 487 V CA 2.429 64.760 62.300 0.051 0.000 1.036 487 V CB -1.204 30.639 31.823 0.033 0.000 0.654 487 V HN 0.522 nan 8.190 nan 0.000 0.451 488 D N 0.197 120.605 120.400 0.013 0.000 2.097 488 D HA -0.182 4.459 4.640 0.001 0.000 0.195 488 D C 1.957 178.273 176.300 0.027 0.000 0.989 488 D CA 1.578 55.587 54.000 0.016 0.000 0.827 488 D CB -0.183 40.620 40.800 0.004 0.000 0.966 488 D HN 0.426 nan 8.370 nan 0.000 0.456 489 I N 0.449 121.024 120.570 0.009 0.000 2.226 489 I HA -0.253 3.917 4.170 0.001 0.000 0.245 489 I C 2.507 178.696 176.117 0.119 0.000 1.100 489 I CA 1.097 62.417 61.300 0.034 0.000 1.374 489 I CB -0.342 37.616 38.000 -0.070 0.000 1.057 489 I HN 0.090 nan 8.210 nan 0.000 0.413 490 A N -0.019 122.919 122.820 0.198 0.000 1.892 490 A HA -0.311 4.009 4.320 0.001 0.000 0.218 490 A C 2.249 179.884 177.584 0.085 0.000 1.188 490 A CA 1.922 54.073 52.037 0.191 0.000 0.631 490 A CB -0.708 18.408 19.000 0.193 0.000 0.822 490 A HN 0.477 nan 8.150 nan 0.000 0.447 491 Q N -1.118 118.723 119.800 0.069 0.000 2.167 491 Q HA 0.012 4.353 4.340 0.001 0.000 0.202 491 Q C 2.281 178.309 176.000 0.047 0.000 0.970 491 Q CA 1.125 56.957 55.803 0.048 0.000 0.855 491 Q CB -0.293 28.467 28.738 0.036 0.000 0.911 491 Q HN 0.706 nan 8.270 nan 0.000 0.438 492 A N 0.191 123.041 122.820 0.051 0.000 2.014 492 A HA -0.083 4.237 4.320 0.001 0.000 0.218 492 A C 1.904 179.523 177.584 0.059 0.000 1.163 492 A CA 0.715 52.778 52.037 0.043 0.000 0.652 492 A CB -0.344 18.679 19.000 0.039 0.000 0.808 492 A HN 0.286 nan 8.150 nan 0.000 0.449 493 L N -0.647 120.627 121.223 0.085 0.000 2.056 493 L HA -0.129 4.211 4.340 0.001 0.000 0.207 493 L C 2.480 179.463 176.870 0.187 0.000 1.078 493 L CA 0.857 55.783 54.840 0.143 0.000 0.749 493 L CB -0.506 41.575 42.059 0.037 0.000 0.901 493 L HN 0.229 nan 8.230 nan 0.000 0.433 494 V N -0.116 119.863 119.914 0.108 0.000 2.332 494 V HA -0.297 3.823 4.120 0.001 0.000 0.248 494 V C 2.554 178.681 176.094 0.055 0.000 1.055 494 V CA 1.754 64.105 62.300 0.085 0.000 1.038 494 V CB -0.676 31.178 31.823 0.052 0.000 0.651 494 V HN 0.414 nan 8.190 nan 0.000 0.450 495 R N -0.197 120.328 120.500 0.040 0.000 2.152 495 R HA -0.069 4.272 4.340 0.001 0.000 0.232 495 R C 2.019 178.318 176.300 -0.001 0.000 1.117 495 R CA 0.972 57.082 56.100 0.016 0.000 0.981 495 R CB -0.210 30.096 30.300 0.010 0.000 0.870 495 R HN 0.483 nan 8.270 nan 0.000 0.451 496 R N -0.603 119.902 120.500 0.009 0.000 2.391 496 R HA 0.108 4.448 4.340 0.001 0.000 0.249 496 R C 0.786 177.036 176.300 -0.083 0.000 0.957 496 R CA 0.465 56.540 56.100 -0.043 0.000 1.093 496 R CB 0.817 31.063 30.300 -0.091 0.000 1.156 496 R HN 0.378 nan 8.270 nan 0.000 0.526 497 G N 0.010 108.777 108.800 -0.055 0.000 2.232 497 G HA2 -0.228 3.732 3.960 0.001 0.000 0.226 497 G HA3 -0.228 3.732 3.960 0.001 0.000 0.226 497 G C -0.034 174.803 174.900 -0.105 0.000 0.996 497 G CA -0.531 44.508 45.100 -0.101 0.000 0.626 497 G HN 0.398 nan 8.290 nan 0.000 0.509 498 H N 1.455 120.550 119.070 0.041 0.000 2.848 498 H HA 0.238 4.795 4.556 0.001 0.000 0.341 498 H C 0.285 175.628 175.328 0.026 0.000 1.060 498 H CA 0.307 56.382 56.048 0.044 0.000 1.444 498 H CB 0.826 30.612 29.762 0.040 0.000 1.446 498 H HN 0.038 nan 8.280 nan 0.000 0.583 499 K N 4.363 124.849 120.400 0.142 0.000 2.187 499 K HA 0.169 4.489 4.320 0.001 0.000 0.242 499 K C 0.207 176.847 176.600 0.067 0.000 1.179 499 K CA -0.325 56.009 56.287 0.078 0.000 1.097 499 K CB -0.006 32.524 32.500 0.050 0.000 1.634 499 K HN 0.375 nan 8.250 nan 0.000 0.335 500 I N 1.903 122.505 120.570 0.053 0.000 2.496 500 I HA 0.072 4.242 4.170 0.001 0.000 0.285 500 I C 0.580 176.694 176.117 -0.005 0.000 1.080 500 I CA 0.208 61.507 61.300 -0.001 0.000 1.404 500 I CB 0.629 38.605 38.000 -0.040 0.000 1.403 500 I HN 0.377 nan 8.210 nan 0.000 0.539 501 Q N 5.834 125.629 119.800 -0.009 0.000 2.310 501 Q HA 0.380 4.720 4.340 0.001 0.000 0.270 501 Q C -1.486 174.527 176.000 0.021 0.000 1.025 501 Q CA -0.620 55.187 55.803 0.006 0.000 0.772 501 Q CB 2.399 31.143 28.738 0.009 0.000 1.253 501 Q HN 0.453 nan 8.270 nan 0.000 0.450 502 V N 4.279 124.205 119.914 0.021 0.000 2.479 502 V HA 0.141 4.262 4.120 0.001 0.000 0.281 502 V C -0.036 176.108 176.094 0.082 0.000 1.031 502 V CA -0.150 62.175 62.300 0.041 0.000 1.038 502 V CB 1.064 32.905 31.823 0.029 0.000 0.981 502 V HN 0.532 nan 8.190 nan 0.000 0.478 503 V N 6.788 126.800 119.914 0.164 0.000 2.370 503 V HA 0.248 4.368 4.120 0.001 0.000 0.283 503 V C 0.619 176.835 176.094 0.202 0.000 1.023 503 V CA -0.295 62.122 62.300 0.195 0.000 0.857 503 V CB 1.567 33.545 31.823 0.258 0.000 0.985 503 V HN 0.717 nan 8.190 nan 0.000 0.443 504 L N 2.492 123.788 121.223 0.121 0.000 2.375 504 L HA 0.251 4.592 4.340 0.001 0.000 0.215 504 L C 1.112 178.047 176.870 0.108 0.000 1.108 504 L CA 0.948 55.846 54.840 0.097 0.000 0.830 504 L CB -0.313 41.779 42.059 0.056 0.000 0.959 504 L HN 0.631 nan 8.230 nan 0.000 0.457 505 D N 1.955 122.420 120.400 0.110 0.000 2.531 505 D HA -0.072 4.569 4.640 0.001 0.000 0.239 505 D C 0.109 176.496 176.300 0.145 0.000 1.144 505 D CA 0.532 54.588 54.000 0.094 0.000 0.869 505 D CB 0.466 41.300 40.800 0.057 0.000 1.160 505 D HN 0.358 nan 8.370 nan 0.000 0.484 506 E N 0.178 120.450 120.200 0.119 0.000 2.360 506 E HA 0.329 4.679 4.350 0.001 0.000 0.269 506 E C 1.227 177.937 176.600 0.184 0.000 1.022 506 E CA -0.127 56.361 56.400 0.145 0.000 0.887 506 E CB 0.859 30.628 29.700 0.114 0.000 0.990 506 E HN 0.653 nan 8.360 nan 0.000 0.426 507 G N 2.383 111.297 108.800 0.190 0.000 2.179 507 G HA2 -0.385 3.575 3.960 0.001 0.000 0.260 507 G HA3 -0.385 3.575 3.960 0.001 0.000 0.260 507 G C 0.925 175.886 174.900 0.102 0.000 0.977 507 G CA 0.353 45.552 45.100 0.164 0.000 0.641 507 G HN 0.645 nan 8.290 nan 0.000 0.533 508 A N -0.782 122.084 122.820 0.075 0.000 2.167 508 A HA 0.580 4.900 4.320 0.001 0.000 0.214 508 A C 1.399 178.767 177.584 -0.359 0.000 1.151 508 A CA 1.371 53.320 52.037 -0.147 0.000 0.735 508 A CB -0.224 18.633 19.000 -0.239 0.000 0.802 508 A HN 0.655 nan 8.150 nan 0.000 0.467 509 F N -0.081 119.882 119.950 0.022 0.000 2.684 509 F HA 0.447 4.975 4.527 0.000 0.000 0.298 509 F C 1.371 177.168 175.800 -0.005 0.000 1.120 509 F CA 0.426 58.430 58.000 0.006 0.000 1.332 509 F CB 0.083 39.087 39.000 0.007 0.000 0.986 509 F HN 0.364 nan 8.300 nan 0.000 0.524 510 G N 1.291 110.144 108.800 0.088 0.000 2.795 510 G HA2 -0.199 3.761 3.960 0.001 0.000 0.664 510 G HA3 -0.199 3.761 3.960 0.001 0.000 0.664 510 G C -0.690 174.238 174.900 0.046 0.000 1.381 510 G CA -1.120 44.007 45.100 0.045 0.000 0.853 510 G HN 0.295 nan 8.290 nan 0.000 0.545 511 R N -0.200 120.315 120.500 0.025 0.000 2.480 511 R HA 0.638 4.979 4.340 0.001 0.000 0.306 511 R C 0.460 176.781 176.300 0.035 0.000 0.958 511 R CA -0.076 56.041 56.100 0.028 0.000 0.861 511 R CB 1.996 32.307 30.300 0.019 0.000 1.171 511 R HN 1.040 nan 8.270 nan 0.000 0.445 512 G N 1.467 110.284 108.800 0.027 0.000 2.453 512 G HA2 0.504 4.464 3.960 0.001 0.000 0.323 512 G HA3 0.504 4.464 3.960 0.001 0.000 0.323 512 G C -1.097 173.839 174.900 0.060 0.000 1.198 512 G CA -0.398 44.712 45.100 0.017 0.000 0.959 512 G HN 0.282 nan 8.290 nan 0.000 0.482 513 Q N 0.148 120.026 119.800 0.129 0.000 2.359 513 Q HA 0.545 4.885 4.340 0.001 0.000 0.274 513 Q C -1.148 174.860 176.000 0.012 0.000 1.074 513 Q CA -0.543 55.319 55.803 0.098 0.000 0.810 513 Q CB 3.023 31.856 28.738 0.158 0.000 1.342 513 Q HN 0.530 nan 8.270 nan 0.000 0.427 514 I N 2.377 122.833 120.570 -0.189 0.000 2.569 514 I HA 0.489 4.659 4.170 0.001 0.000 0.290 514 I C -0.726 175.087 176.117 -0.507 0.000 1.088 514 I CA -0.697 60.306 61.300 -0.495 0.000 1.047 514 I CB 2.037 39.564 38.000 -0.789 0.000 1.237 514 I HN 0.445 nan 8.210 nan 0.000 0.421 515 I N 4.870 125.134 120.570 -0.510 0.000 2.410 515 I HA 0.330 4.501 4.170 0.001 0.000 0.286 515 I C -1.048 174.929 176.117 -0.234 0.000 1.009 515 I CA -0.352 60.750 61.300 -0.330 0.000 1.111 515 I CB 1.329 39.257 38.000 -0.121 0.000 1.262 515 I HN 0.463 nan 8.210 nan 0.000 0.443 516 W N 5.617 126.856 121.300 -0.101 0.000 2.496 516 W HA 0.603 5.263 4.660 0.000 0.000 0.327 516 W C 0.222 176.695 176.519 -0.077 0.000 1.086 516 W CA -0.941 56.341 57.345 -0.104 0.000 1.222 516 W CB 1.695 31.095 29.460 -0.100 0.000 1.304 516 W HN 0.283 nan 8.180 nan 0.000 0.547 517 R N 2.676 123.303 120.500 0.211 0.000 2.439 517 R HA 0.102 4.443 4.340 0.001 0.000 0.310 517 R C -0.730 175.613 176.300 0.073 0.000 0.955 517 R CA -0.645 55.521 56.100 0.110 0.000 0.853 517 R CB 1.209 31.554 30.300 0.075 0.000 1.171 517 R HN 0.456 nan 8.270 nan 0.000 0.449 518 D N 6.236 126.684 120.400 0.080 0.000 2.371 518 D HA 0.051 4.692 4.640 0.001 0.000 0.256 518 D C -1.449 174.872 176.300 0.036 0.000 1.193 518 D CA -1.601 52.434 54.000 0.058 0.000 0.881 518 D CB 1.738 42.586 40.800 0.080 0.000 1.143 518 D HN 0.392 nan 8.370 nan 0.000 0.473 519 P HA -0.105 nan 4.420 nan 0.000 0.221 519 P C 1.076 178.386 177.300 0.018 0.000 1.150 519 P CA 0.903 64.005 63.100 0.004 0.000 0.800 519 P CB 0.295 31.982 31.700 -0.022 0.000 0.787 520 T N -1.076 113.490 114.554 0.020 0.000 2.684 520 T HA -0.099 4.251 4.350 0.001 0.000 0.253 520 T C 2.041 176.761 174.700 0.032 0.000 1.057 520 T CA 2.033 64.147 62.100 0.023 0.000 1.162 520 T CB -1.495 67.384 68.868 0.019 0.000 0.868 520 T HN 0.148 nan 8.240 nan 0.000 0.409 521 T N -0.208 114.369 114.554 0.039 0.000 3.014 521 T HA 0.279 4.629 4.350 0.001 0.000 0.263 521 T C 1.699 176.431 174.700 0.054 0.000 1.078 521 T CA 1.521 63.648 62.100 0.044 0.000 1.135 521 T CB -0.876 68.020 68.868 0.047 0.000 0.895 521 T HN 0.789 nan 8.240 nan 0.000 0.480 522 G N 0.419 109.256 108.800 0.061 0.000 2.176 522 G HA2 -0.210 3.750 3.960 0.001 0.000 0.253 522 G HA3 -0.210 3.750 3.960 0.001 0.000 0.253 522 G C 0.282 175.233 174.900 0.085 0.000 0.979 522 G CA 0.260 45.401 45.100 0.069 0.000 0.641 522 G HN 0.835 nan 8.290 nan 0.000 0.530 523 V N 1.656 121.630 119.914 0.100 0.000 2.572 523 V HA 0.564 4.684 4.120 0.001 0.000 0.291 523 V C 0.813 176.988 176.094 0.135 0.000 1.039 523 V CA -0.386 61.996 62.300 0.137 0.000 1.055 523 V CB 0.901 32.835 31.823 0.185 0.000 0.969 523 V HN 0.320 nan 8.190 nan 0.000 0.482 524 L N 7.202 128.492 121.223 0.111 0.000 2.276 524 L HA 0.695 5.035 4.340 0.001 0.000 0.286 524 L C 0.267 177.085 176.870 -0.088 0.000 1.061 524 L CA -0.179 54.688 54.840 0.045 0.000 0.807 524 L CB 1.320 43.407 42.059 0.047 0.000 1.177 524 L HN 0.733 nan 8.230 nan 0.000 0.429 525 A N 2.641 125.357 122.820 -0.173 0.000 2.304 525 A HA 0.791 5.111 4.320 0.001 0.000 0.314 525 A C 0.006 177.398 177.584 -0.320 0.000 1.187 525 A CA -0.354 51.404 52.037 -0.464 0.000 0.810 525 A CB 1.249 19.971 19.000 -0.463 0.000 1.183 525 A HN 0.745 nan 8.150 nan 0.000 0.487 526 G N 0.604 109.208 108.800 -0.326 0.000 2.420 526 G HA2 0.656 4.616 3.960 0.001 0.000 0.331 526 G HA3 0.656 4.616 3.960 0.001 0.000 0.331 526 G C -0.150 174.615 174.900 -0.225 0.000 1.168 526 G CA -0.226 44.723 45.100 -0.252 0.000 0.936 526 G HN 1.187 nan 8.290 nan 0.000 0.479 527 G N -0.897 107.767 108.800 -0.227 0.000 2.524 527 G HA2 0.588 4.548 3.960 0.001 0.000 0.310 527 G HA3 0.588 4.548 3.960 0.001 0.000 0.310 527 G C -0.923 173.904 174.900 -0.122 0.000 1.279 527 G CA -0.343 44.659 45.100 -0.163 0.000 0.974 527 G HN 0.696 nan 8.290 nan 0.000 0.484 528 T N -0.399 114.107 114.554 -0.079 0.000 2.924 528 T HA 0.473 4.823 4.350 0.001 0.000 0.291 528 T C -0.520 174.156 174.700 -0.039 0.000 1.045 528 T CA -0.474 61.595 62.100 -0.052 0.000 1.015 528 T CB 1.752 70.595 68.868 -0.042 0.000 1.103 528 T HN 0.507 nan 8.240 nan 0.000 0.496 529 E N 3.702 123.889 120.200 -0.022 0.000 2.292 529 E HA 0.175 4.526 4.350 0.001 0.000 0.265 529 E C -1.574 175.014 176.600 -0.021 0.000 1.093 529 E CA -1.760 54.632 56.400 -0.014 0.000 0.922 529 E CB 1.068 30.770 29.700 0.004 0.000 1.001 529 E HN 0.290 nan 8.360 nan 0.000 0.444 530 P HA -0.078 nan 4.420 nan 0.000 0.222 530 P C 0.451 177.724 177.300 -0.045 0.000 1.153 530 P CA 0.750 63.825 63.100 -0.041 0.000 0.798 530 P CB 0.299 31.974 31.700 -0.041 0.000 0.796 531 R N -0.794 119.696 120.500 -0.018 0.000 2.357 531 R HA 0.077 4.417 4.340 0.001 0.000 0.202 531 R C 1.183 177.489 176.300 0.011 0.000 1.047 531 R CA 0.730 56.830 56.100 0.001 0.000 1.034 531 R CB -0.329 29.996 30.300 0.041 0.000 0.875 531 R HN 0.222 nan 8.270 nan 0.000 0.473 532 T N -0.909 113.644 114.554 -0.001 0.000 2.778 532 T HA 0.143 4.493 4.350 0.001 0.000 0.293 532 T C -1.538 173.161 174.700 -0.002 0.000 1.144 532 T CA -1.023 61.086 62.100 0.014 0.000 1.010 532 T CB 1.320 70.198 68.868 0.017 0.000 1.325 532 T HN -0.112 nan 8.240 nan 0.000 0.515 533 D N 0.666 121.073 120.400 0.012 0.000 2.382 533 D HA 0.530 5.171 4.640 0.001 0.000 0.245 533 D C 0.442 176.736 176.300 -0.011 0.000 1.120 533 D CA 0.508 54.511 54.000 0.004 0.000 0.890 533 D CB 1.165 41.977 40.800 0.020 0.000 1.201 533 D HN 0.917 nan 8.370 nan 0.000 0.433 534 G N 0.246 109.036 108.800 -0.017 0.000 2.313 534 G HA2 0.378 4.339 3.960 0.001 0.000 0.296 534 G HA3 0.378 4.339 3.960 0.001 0.000 0.296 534 G C -1.874 173.011 174.900 -0.025 0.000 1.356 534 G CA -0.750 44.334 45.100 -0.025 0.000 0.833 534 G HN 0.443 nan 8.290 nan 0.000 0.552 535 Q N -1.015 118.767 119.800 -0.029 0.000 2.386 535 Q HA 0.543 4.883 4.340 0.001 0.000 0.274 535 Q C -1.393 174.589 176.000 -0.031 0.000 1.011 535 Q CA -0.782 55.006 55.803 -0.025 0.000 0.867 535 Q CB 2.818 31.544 28.738 -0.020 0.000 1.409 535 Q HN 0.748 nan 8.270 nan 0.000 0.395 536 V N 1.182 121.078 119.914 -0.029 0.000 2.398 536 V HA 0.914 5.034 4.120 0.001 0.000 0.286 536 V C -0.383 175.705 176.094 -0.011 0.000 1.026 536 V CA -0.587 61.693 62.300 -0.033 0.000 0.868 536 V CB 0.998 32.789 31.823 -0.052 0.000 0.982 536 V HN 0.764 nan 8.190 nan 0.000 0.443 537 A N 3.591 126.413 122.820 0.002 0.000 2.386 537 A HA 0.959 5.280 4.320 0.001 0.000 0.311 537 A C -0.071 177.549 177.584 0.060 0.000 1.068 537 A CA -0.345 51.711 52.037 0.030 0.000 0.743 537 A CB 1.633 20.652 19.000 0.031 0.000 1.258 537 A HN 1.394 nan 8.150 nan 0.000 0.429 538 A N 0.744 123.613 122.820 0.082 0.000 2.295 538 A HA 0.719 5.039 4.320 0.001 0.000 0.318 538 A C -0.985 176.720 177.584 0.202 0.000 1.134 538 A CA -0.329 51.777 52.037 0.115 0.000 0.827 538 A CB 0.526 19.575 19.000 0.080 0.000 1.136 538 A HN 1.509 nan 8.150 nan 0.000 0.493 539 W N 0.694 121.999 121.300 0.008 0.000 2.883 539 W HA 0.643 5.303 4.660 0.000 0.000 0.335 539 W C -0.612 175.909 176.519 0.002 0.000 1.083 539 W CA -0.464 56.882 57.345 0.003 0.000 1.233 539 W CB 1.911 31.373 29.460 0.003 0.000 1.412 539 W HN 0.586 nan 8.180 nan 0.000 0.490 540 E N 3.381 123.096 120.200 -0.808 0.000 2.812 540 E HA 0.216 4.566 4.350 0.001 0.000 0.211 540 E C 0.769 176.748 176.600 -1.035 0.000 0.986 540 E CA -0.133 55.796 56.400 -0.786 0.000 1.119 540 E CB 0.737 30.218 29.700 -0.364 0.000 1.046 540 E HN 0.604 nan 8.360 nan 0.000 0.474 541 G N 0.006 107.781 108.800 -1.707 0.000 2.546 541 G HA2 0.167 4.127 3.960 0.001 0.000 0.239 541 G HA3 0.167 4.127 3.960 0.001 0.000 0.239 541 G C 0.053 174.477 174.900 -0.793 0.000 1.476 541 G CA -0.196 44.353 45.100 -0.917 0.000 1.064 541 G HN 0.068 nan 8.290 nan 0.000 0.561 542 H N 0.000 119.050 119.070 -0.034 0.000 2.539 542 H HA 0.000 4.556 4.556 0.000 0.000 0.296 542 H CA 0.000 56.099 56.048 0.086 0.000 1.023 542 H CB 0.000 29.787 29.762 0.042 0.000 1.292 542 H HN 0.000 nan 8.280 nan 0.000 0.496