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 1idu_1_A DATA FIRST_RESID 3 DATA SEQUENCE SVTPIPLPKI DEPEEYNTNY ILFWNHVGLE LNRVTHTVGG PLTGPPLSAR DATA SEQUENCE ALGMLHLAIH DAYFSICPPT DFTTFLSPDT ENAAYRLPSP NGANDARQAV DATA SEQUENCE AGAALKMLSS LYMKPVEQPN PNPGANISDN AYAQLGLVLD RSVLEAPGGV DATA SEQUENCE DRESASFMFG EDVADVFFAL LNDPRGASQE GYNPTPGRYK FDDEPTHPVV DATA SEQUENCE LIPVDPNNPN GPKMPFRQYH APFYGKTTKR FATQSEHFLA DPPGLRSNAD DATA SEQUENCE ETAEYDDAVR VAIAMGGAQA LNSTKRSPWQ TAQGLYWAYD GSNLIGTPPR DATA SEQUENCE FYNQIVRRIA VTYKKEEDLA NSEVNNADFA RLFALVDVAC TDAGIFSWKE DATA SEQUENCE KWEFEFWRPL SGVRDDGRPD HGDPFWLTLG APATNTNDIP FKPPFPAYPS DATA SEQUENCE GHATFGGAVF QMVRRYYNGR VGTWKDDEPD NIAIDMMISE ELNGVNRDLR DATA SEQUENCE QPYDPTAPIE DQPGIVRTRI VRHFDSAWEL MFENAISRIF LGVHWRFDAA DATA SEQUENCE AARDILIPTT TKDVYAVDNN GATVFQNVED IRYTTRGTRE DEEGLFPIGG DATA SEQUENCE VPLGIEIADE IFNNGLKPTP PEIQPM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.605 174.600 0.009 0.000 1.055 3 S CA 0.000 58.205 58.200 0.009 0.000 1.107 3 S CB 0.000 63.208 63.200 0.013 0.000 0.593 4 V N 2.071 121.991 119.914 0.011 0.000 2.850 4 V HA 0.776 4.882 4.120 -0.025 0.000 0.315 4 V C -0.305 175.792 176.094 0.005 0.000 1.064 4 V CA -0.601 61.705 62.300 0.010 0.000 0.979 4 V CB 1.341 33.174 31.823 0.016 0.000 1.039 4 V HN 0.242 nan 8.190 nan 0.000 0.452 5 T N 3.962 118.516 114.554 0.000 0.000 2.728 5 T HA 0.403 4.738 4.350 -0.025 0.000 0.296 5 T C -2.507 172.193 174.700 0.000 0.000 0.940 5 T CA -0.765 61.333 62.100 -0.004 0.000 1.013 5 T CB 0.783 69.642 68.868 -0.014 0.000 0.912 5 T HN 0.644 nan 8.240 nan 0.000 0.484 6 P HA 0.128 nan 4.420 nan 0.000 0.264 6 P C -0.088 177.218 177.300 0.010 0.000 1.193 6 P CA -0.195 62.911 63.100 0.009 0.000 0.763 6 P CB 0.234 31.940 31.700 0.009 0.000 0.810 7 I N 6.209 126.790 120.570 0.019 0.000 2.598 7 I HA 0.055 4.211 4.170 -0.025 0.000 0.284 7 I C -1.775 174.363 176.117 0.035 0.000 1.140 7 I CA -1.645 59.678 61.300 0.037 0.000 1.420 7 I CB 0.289 38.330 38.000 0.069 0.000 1.387 7 I HN 0.190 nan 8.210 nan 0.000 0.553 8 P HA 0.244 nan 4.420 nan 0.000 0.280 8 P C -0.838 176.485 177.300 0.039 0.000 1.300 8 P CA -0.106 63.011 63.100 0.029 0.000 0.785 8 P CB 0.352 32.064 31.700 0.021 0.000 0.874 9 L N 6.165 127.401 121.223 0.021 0.000 2.312 9 L HA 0.447 4.772 4.340 -0.025 0.000 0.281 9 L C -1.431 175.441 176.870 0.003 0.000 1.070 9 L CA -2.027 52.819 54.840 0.009 0.000 0.805 9 L CB 0.618 42.675 42.059 -0.004 0.000 1.174 9 L HN 0.246 nan 8.230 nan 0.000 0.434 10 P HA 0.122 nan 4.420 nan 0.000 0.272 10 P C -1.208 176.083 177.300 -0.015 0.000 1.230 10 P CA -0.689 62.402 63.100 -0.015 0.000 0.788 10 P CB 0.534 32.214 31.700 -0.033 0.000 0.949 11 K N 1.209 121.601 120.400 -0.014 0.000 2.382 11 K HA 0.325 4.630 4.320 -0.025 0.000 0.275 11 K C -0.158 176.432 176.600 -0.018 0.000 1.009 11 K CA -0.252 56.028 56.287 -0.012 0.000 0.970 11 K CB 0.044 32.535 32.500 -0.015 0.000 0.934 11 K HN 0.279 nan 8.250 nan 0.000 0.479 12 I N 2.176 122.738 120.570 -0.013 0.000 2.396 12 I HA 0.036 4.192 4.170 -0.025 0.000 0.292 12 I C -0.097 175.998 176.117 -0.036 0.000 0.999 12 I CA -0.511 60.780 61.300 -0.015 0.000 1.310 12 I CB 1.155 39.159 38.000 0.007 0.000 1.404 12 I HN 0.632 nan 8.210 nan 0.000 0.496 13 D N 7.662 128.045 120.400 -0.029 0.000 2.435 13 D HA 0.155 4.780 4.640 -0.025 0.000 0.230 13 D C -0.177 176.076 176.300 -0.078 0.000 1.215 13 D CA 0.532 54.510 54.000 -0.037 0.000 0.947 13 D CB 0.431 41.227 40.800 -0.006 0.000 1.048 13 D HN 0.539 nan 8.370 nan 0.000 0.512 14 E N 2.464 122.574 120.200 -0.149 0.000 2.431 14 E HA 0.243 4.578 4.350 -0.025 0.000 0.287 14 E C -2.916 173.463 176.600 -0.369 0.000 1.032 14 E CA -1.517 54.690 56.400 -0.322 0.000 0.839 14 E CB 1.367 30.848 29.700 -0.365 0.000 1.218 14 E HN -0.078 nan 8.360 nan 0.000 0.424 15 P HA -0.003 nan 4.420 nan 0.000 0.265 15 P C 0.176 177.345 177.300 -0.219 0.000 1.193 15 P CA 0.299 63.234 63.100 -0.275 0.000 0.765 15 P CB 0.492 32.101 31.700 -0.152 0.000 0.823 16 E N 2.320 122.468 120.200 -0.087 0.000 2.409 16 E HA -0.226 4.109 4.350 -0.025 0.000 0.198 16 E C 1.342 177.958 176.600 0.026 0.000 1.024 16 E CA 0.707 57.078 56.400 -0.048 0.000 0.861 16 E CB -0.230 29.450 29.700 -0.034 0.000 0.788 16 E HN 0.559 nan 8.360 nan 0.000 0.521 17 E N 0.490 120.745 120.200 0.092 0.000 2.204 17 E HA -0.191 4.145 4.350 -0.025 0.000 0.195 17 E C 1.353 178.094 176.600 0.235 0.000 0.990 17 E CA 0.842 57.333 56.400 0.151 0.000 0.821 17 E CB -0.173 29.628 29.700 0.169 0.000 0.750 17 E HN 0.551 nan 8.360 nan 0.000 0.477 18 Y N 0.588 120.880 120.300 -0.014 0.000 2.114 18 Y HA -0.208 4.328 4.550 -0.024 0.000 0.282 18 Y C 2.006 177.888 175.900 -0.029 0.000 1.165 18 Y CA 0.597 58.680 58.100 -0.028 0.000 1.148 18 Y CB -0.061 38.363 38.460 -0.059 0.000 0.972 18 Y HN 0.076 nan 8.280 nan 0.000 0.504 19 N N -0.057 118.719 118.700 0.125 0.000 2.567 19 N HA -0.074 4.652 4.740 -0.025 0.000 0.195 19 N C 1.400 176.953 175.510 0.071 0.000 1.242 19 N CA 1.232 54.332 53.050 0.083 0.000 0.884 19 N CB -0.388 38.101 38.487 0.003 0.000 1.007 19 N HN 0.468 nan 8.380 nan 0.000 0.450 20 T N -3.504 111.092 114.554 0.070 0.000 3.081 20 T HA 0.009 4.344 4.350 -0.025 0.000 0.255 20 T C 0.679 175.429 174.700 0.084 0.000 1.113 20 T CA -0.114 62.014 62.100 0.047 0.000 1.082 20 T CB 0.258 69.158 68.868 0.053 0.000 0.939 20 T HN -0.002 nan 8.240 nan 0.000 0.506 21 N N 0.834 119.598 118.700 0.105 0.000 2.422 21 N HA 0.103 4.828 4.740 -0.025 0.000 0.266 21 N C 0.728 176.312 175.510 0.122 0.000 1.007 21 N CA -0.561 52.554 53.050 0.108 0.000 0.941 21 N CB 1.187 39.769 38.487 0.159 0.000 1.115 21 N HN 0.457 nan 8.380 nan 0.000 0.492 22 Y N 3.651 124.025 120.300 0.124 0.000 2.403 22 Y HA -0.033 4.502 4.550 -0.025 0.000 0.291 22 Y C 1.537 177.597 175.900 0.267 0.000 1.143 22 Y CA 0.448 58.641 58.100 0.156 0.000 1.257 22 Y CB -0.075 38.504 38.460 0.198 0.000 0.984 22 Y HN 0.374 nan 8.280 nan 0.000 0.550 23 I N 0.963 121.490 120.570 -0.072 0.000 2.233 23 I HA -0.200 3.956 4.170 -0.025 0.000 0.243 23 I C 2.373 178.514 176.117 0.040 0.000 1.093 23 I CA 1.091 62.419 61.300 0.047 0.000 1.380 23 I CB -1.127 36.847 38.000 -0.042 0.000 1.067 23 I HN 0.391 nan 8.210 nan 0.000 0.413 24 L N -0.352 120.842 121.223 -0.048 0.000 2.093 24 L HA -0.222 4.103 4.340 -0.025 0.000 0.208 24 L C 2.645 179.487 176.870 -0.047 0.000 1.085 24 L CA 1.153 55.887 54.840 -0.176 0.000 0.755 24 L CB -0.768 41.182 42.059 -0.181 0.000 0.904 24 L HN 0.110 nan 8.230 nan 0.000 0.435 25 F N 0.345 120.231 119.950 -0.106 0.000 2.069 25 F HA -0.252 4.261 4.527 -0.024 0.000 0.298 25 F C 2.052 177.766 175.800 -0.143 0.000 1.113 25 F CA 1.605 59.490 58.000 -0.193 0.000 1.214 25 F CB -0.521 38.251 39.000 -0.379 0.000 0.978 25 F HN -0.026 nan 8.300 nan 0.000 0.474 26 W N 0.680 121.981 121.300 0.000 0.000 2.425 26 W HA -0.134 4.511 4.660 -0.025 0.000 0.277 26 W C 2.580 178.983 176.519 -0.194 0.000 1.231 26 W CA 0.961 58.229 57.345 -0.127 0.000 1.248 26 W CB -0.716 28.750 29.460 0.010 0.000 1.117 26 W HN 0.127 nan 8.180 nan 0.000 0.568 27 N N 0.484 119.209 118.700 0.041 0.000 2.120 27 N HA -0.278 4.447 4.740 -0.025 0.000 0.188 27 N C 1.759 177.250 175.510 -0.032 0.000 1.024 27 N CA 1.918 54.991 53.050 0.038 0.000 0.852 27 N CB -0.440 37.946 38.487 -0.168 0.000 1.003 27 N HN 0.304 nan 8.380 nan 0.000 0.424 28 H N 0.791 119.743 119.070 -0.198 0.000 2.319 28 H HA -0.061 4.480 4.556 -0.025 0.000 0.299 28 H C 2.020 177.199 175.328 -0.248 0.000 1.092 28 H CA 2.386 58.299 56.048 -0.225 0.000 1.302 28 H CB -0.390 29.193 29.762 -0.299 0.000 1.373 28 H HN 0.023 nan 8.280 nan 0.000 0.497 29 V N 0.560 120.119 119.914 -0.591 0.000 2.407 29 V HA -0.175 3.930 4.120 -0.025 0.000 0.248 29 V C 2.780 178.704 176.094 -0.283 0.000 1.055 29 V CA 1.714 63.712 62.300 -0.504 0.000 1.049 29 V CB -1.224 30.441 31.823 -0.263 0.000 0.662 29 V HN 0.759 nan 8.190 nan 0.000 0.455 30 G N -0.031 108.678 108.800 -0.152 0.000 2.422 30 G HA2 -0.170 3.775 3.960 -0.025 0.000 0.218 30 G HA3 -0.170 3.775 3.960 -0.025 0.000 0.218 30 G C 1.541 176.380 174.900 -0.102 0.000 1.146 30 G CA 0.754 45.809 45.100 -0.074 0.000 0.769 30 G HN 0.469 nan 8.290 nan 0.000 0.547 31 L N 0.129 121.276 121.223 -0.127 0.000 2.093 31 L HA -0.004 4.321 4.340 -0.025 0.000 0.208 31 L C 2.852 179.626 176.870 -0.160 0.000 1.085 31 L CA 0.830 55.607 54.840 -0.105 0.000 0.755 31 L CB -0.373 41.643 42.059 -0.072 0.000 0.904 31 L HN 0.160 nan 8.230 nan 0.000 0.435 32 E N 0.511 120.539 120.200 -0.286 0.000 2.106 32 E HA -0.141 4.194 4.350 -0.025 0.000 0.192 32 E C 2.369 178.831 176.600 -0.230 0.000 0.984 32 E CA 1.027 57.265 56.400 -0.270 0.000 0.806 32 E CB -0.135 29.338 29.700 -0.378 0.000 0.750 32 E HN 0.495 nan 8.360 nan 0.000 0.458 33 L N 1.520 122.562 121.223 -0.302 0.000 2.093 33 L HA -0.148 4.178 4.340 -0.025 0.000 0.208 33 L C 2.476 179.169 176.870 -0.294 0.000 1.085 33 L CA 0.813 55.376 54.840 -0.461 0.000 0.755 33 L CB -0.550 40.979 42.059 -0.884 0.000 0.904 33 L HN 0.137 nan 8.230 nan 0.000 0.435 34 N N 1.721 120.350 118.700 -0.118 0.000 2.043 34 N HA -0.249 4.476 4.740 -0.025 0.000 0.193 34 N C 2.050 177.643 175.510 0.139 0.000 1.037 34 N CA 2.147 55.245 53.050 0.079 0.000 0.851 34 N CB -0.028 38.486 38.487 0.045 0.000 1.027 34 N HN 0.412 nan 8.380 nan 0.000 0.422 35 R N 0.103 120.611 120.500 0.014 0.000 2.115 35 R HA 0.022 4.347 4.340 -0.025 0.000 0.230 35 R C 2.114 178.419 176.300 0.007 0.000 1.111 35 R CA 1.235 57.338 56.100 0.005 0.000 0.976 35 R CB -0.532 29.736 30.300 -0.053 0.000 0.870 35 R HN 0.013 nan 8.270 nan 0.000 0.445 36 V N 0.871 120.763 119.914 -0.037 0.000 2.453 36 V HA -0.163 3.943 4.120 -0.025 0.000 0.247 36 V C 2.379 178.450 176.094 -0.037 0.000 1.048 36 V CA 2.134 64.405 62.300 -0.048 0.000 1.049 36 V CB -0.307 31.467 31.823 -0.081 0.000 0.672 36 V HN 0.524 nan 8.190 nan 0.000 0.457 37 T N -0.910 113.624 114.554 -0.032 0.000 2.915 37 T HA -0.175 4.161 4.350 -0.025 0.000 0.269 37 T C 1.556 176.146 174.700 -0.183 0.000 1.071 37 T CA 1.385 63.441 62.100 -0.074 0.000 1.132 37 T CB -0.292 68.586 68.868 0.018 0.000 0.878 37 T HN 0.680 nan 8.240 nan 0.000 0.479 38 H N -0.372 118.675 119.070 -0.038 0.000 2.548 38 H HA 0.227 4.768 4.556 -0.025 0.000 0.265 38 H C 2.104 177.383 175.328 -0.081 0.000 0.969 38 H CA 1.006 57.022 56.048 -0.053 0.000 1.155 38 H CB 0.340 30.070 29.762 -0.054 0.000 1.394 38 H HN 0.271 nan 8.280 nan 0.000 0.570 39 T N -0.938 113.613 114.554 -0.006 0.000 3.015 39 T HA 0.008 4.344 4.350 -0.025 0.000 0.250 39 T C 1.755 176.446 174.700 -0.015 0.000 1.057 39 T CA 0.881 62.953 62.100 -0.047 0.000 1.066 39 T CB 0.275 69.107 68.868 -0.060 0.000 0.959 39 T HN 0.335 nan 8.240 nan 0.000 0.488 40 V N -1.720 118.173 119.914 -0.035 0.000 3.605 40 V HA 0.639 4.744 4.120 -0.025 0.000 0.284 40 V C 1.182 177.225 176.094 -0.086 0.000 1.386 40 V CA 0.122 62.397 62.300 -0.042 0.000 1.053 40 V CB -0.548 31.246 31.823 -0.047 0.000 0.857 40 V HN 0.421 nan 8.190 nan 0.000 0.436 41 G N 0.355 109.089 108.800 -0.110 0.000 2.324 41 G HA2 -0.029 3.916 3.960 -0.025 0.000 0.292 41 G HA3 -0.029 3.916 3.960 -0.025 0.000 0.292 41 G C 0.431 175.219 174.900 -0.186 0.000 1.079 41 G CA 0.395 45.411 45.100 -0.140 0.000 1.026 41 G HN 1.258 nan 8.290 nan 0.000 0.506 42 G N 0.048 108.726 108.800 -0.203 0.000 2.695 42 G HA2 0.848 4.794 3.960 -0.025 0.000 0.213 42 G HA3 0.848 4.794 3.960 -0.025 0.000 0.213 42 G C -1.718 173.071 174.900 -0.186 0.000 1.406 42 G CA -0.437 44.512 45.100 -0.253 0.000 1.049 42 G HN 0.379 nan 8.290 nan 0.000 0.573 43 P HA 0.213 nan 4.420 nan 0.000 0.275 43 P C 0.175 177.402 177.300 -0.122 0.000 1.266 43 P CA -0.161 62.876 63.100 -0.105 0.000 0.793 43 P CB 0.768 32.421 31.700 -0.079 0.000 1.074 44 L N -2.836 118.298 121.223 -0.148 0.000 3.678 44 L HA -0.203 4.123 4.340 -0.025 0.000 0.425 44 L C 0.710 177.540 176.870 -0.065 0.000 1.240 44 L CA 0.571 55.335 54.840 -0.128 0.000 0.876 44 L CB -2.821 39.109 42.059 -0.215 0.000 1.766 44 L HN 0.540 nan 8.230 nan 0.000 0.917 45 T N -2.096 112.386 114.554 -0.121 0.000 2.874 45 T HA 0.691 5.026 4.350 -0.025 0.000 0.281 45 T C 0.816 175.574 174.700 0.096 0.000 0.994 45 T CA 0.015 61.996 62.100 -0.198 0.000 1.015 45 T CB 2.008 70.702 68.868 -0.290 0.000 1.028 45 T HN 1.262 nan 8.240 nan 0.000 0.523 46 G N 1.883 110.870 108.800 0.311 0.000 2.730 46 G HA2 -0.043 3.902 3.960 -0.025 0.000 0.686 46 G HA3 -0.043 3.902 3.960 -0.025 0.000 0.686 46 G C -2.434 172.440 174.900 -0.044 0.000 1.343 46 G CA -0.456 44.634 45.100 -0.017 0.000 0.826 46 G HN 0.608 nan 8.290 nan 0.000 0.582 47 P HA 0.007 nan 4.420 nan 0.000 0.212 47 P C -0.663 176.487 177.300 -0.250 0.000 1.180 47 P CA 2.831 65.837 63.100 -0.157 0.000 0.906 47 P CB -0.444 31.316 31.700 0.100 0.000 0.782 48 P HA -0.142 nan 4.420 nan 0.000 0.215 48 P C 1.576 178.633 177.300 -0.405 0.000 1.157 48 P CA 1.609 64.415 63.100 -0.490 0.000 0.868 48 P CB -0.411 30.647 31.700 -1.069 0.000 0.788 49 L N 0.315 121.263 121.223 -0.458 0.000 2.217 49 L HA -0.077 4.248 4.340 -0.025 0.000 0.211 49 L C 2.892 179.667 176.870 -0.159 0.000 1.107 49 L CA 1.775 56.419 54.840 -0.328 0.000 0.783 49 L CB -1.090 40.762 42.059 -0.344 0.000 0.919 49 L HN 0.063 nan 8.230 nan 0.000 0.442 50 S N -0.490 115.146 115.700 -0.107 0.000 2.402 50 S HA -0.106 4.349 4.470 -0.025 0.000 0.229 50 S C 2.160 176.714 174.600 -0.077 0.000 1.021 50 S CA 0.696 58.884 58.200 -0.021 0.000 0.974 50 S CB -0.488 62.741 63.200 0.049 0.000 0.800 50 S HN 0.317 nan 8.310 nan 0.000 0.484 51 A N 2.548 125.267 122.820 -0.168 0.000 1.873 51 A HA -0.006 4.299 4.320 -0.025 0.000 0.215 51 A C 2.332 179.847 177.584 -0.115 0.000 1.186 51 A CA 1.374 53.306 52.037 -0.175 0.000 0.616 51 A CB -0.795 18.075 19.000 -0.217 0.000 0.823 51 A HN 0.516 nan 8.150 nan 0.000 0.442 52 R N -0.366 120.049 120.500 -0.142 0.000 2.096 52 R HA -0.188 4.137 4.340 -0.025 0.000 0.240 52 R C 2.330 178.639 176.300 0.015 0.000 1.139 52 R CA 1.588 57.597 56.100 -0.151 0.000 0.952 52 R CB -0.455 29.775 30.300 -0.117 0.000 0.854 52 R HN 0.467 nan 8.270 nan 0.000 0.436 53 A N 0.931 123.762 122.820 0.018 0.000 1.908 53 A HA -0.168 4.138 4.320 -0.025 0.000 0.218 53 A C 2.204 179.857 177.584 0.115 0.000 1.181 53 A CA 1.390 53.473 52.037 0.075 0.000 0.627 53 A CB -0.512 18.535 19.000 0.078 0.000 0.818 53 A HN 0.351 nan 8.150 nan 0.000 0.445 54 L N -1.069 120.214 121.223 0.100 0.000 2.109 54 L HA -0.048 4.277 4.340 -0.025 0.000 0.207 54 L C 2.828 179.813 176.870 0.191 0.000 1.086 54 L CA 0.864 55.795 54.840 0.152 0.000 0.760 54 L CB -0.768 41.369 42.059 0.131 0.000 0.910 54 L HN 0.486 nan 8.230 nan 0.000 0.437 55 G N -0.053 108.830 108.800 0.138 0.000 2.418 55 G HA2 -0.251 3.695 3.960 -0.025 0.000 0.217 55 G HA3 -0.251 3.695 3.960 -0.025 0.000 0.217 55 G C 1.632 176.689 174.900 0.261 0.000 1.158 55 G CA 0.632 45.856 45.100 0.205 0.000 0.771 55 G HN 0.192 nan 8.290 nan 0.000 0.545 56 M N -0.382 119.384 119.600 0.276 0.000 2.175 56 M HA 0.082 4.547 4.480 -0.025 0.000 0.264 56 M C 2.411 178.677 176.300 -0.057 0.000 1.063 56 M CA 0.803 56.171 55.300 0.113 0.000 1.119 56 M CB -0.308 32.404 32.600 0.187 0.000 1.377 56 M HN 0.265 nan 8.290 nan 0.000 0.415 57 L N -0.092 121.119 121.223 -0.021 0.000 2.017 57 L HA -0.213 4.112 4.340 -0.025 0.000 0.208 57 L C 2.430 179.140 176.870 -0.267 0.000 1.073 57 L CA 2.026 56.780 54.840 -0.143 0.000 0.745 57 L CB -0.886 41.088 42.059 -0.142 0.000 0.894 57 L HN 0.302 nan 8.230 nan 0.000 0.432 58 H N -1.339 117.710 119.070 -0.034 0.000 2.462 58 H HA -0.017 4.524 4.556 -0.025 0.000 0.292 58 H C 2.105 177.379 175.328 -0.091 0.000 1.049 58 H CA 1.203 57.245 56.048 -0.011 0.000 1.334 58 H CB 0.278 30.087 29.762 0.078 0.000 1.404 58 H HN 0.258 nan 8.280 nan 0.000 0.544 59 L N 0.798 121.891 121.223 -0.217 0.000 2.044 59 L HA -0.024 4.301 4.340 -0.025 0.000 0.205 59 L C 2.645 179.053 176.870 -0.769 0.000 1.075 59 L CA 1.649 56.152 54.840 -0.562 0.000 0.747 59 L CB -1.136 40.389 42.059 -0.890 0.000 0.903 59 L HN 0.130 nan 8.230 nan 0.000 0.435 60 A N -0.463 121.849 122.820 -0.846 0.000 1.883 60 A HA -0.212 4.093 4.320 -0.025 0.000 0.217 60 A C 2.314 179.767 177.584 -0.218 0.000 1.186 60 A CA 2.012 53.700 52.037 -0.581 0.000 0.624 60 A CB -0.772 18.029 19.000 -0.332 0.000 0.822 60 A HN 0.429 nan 8.150 nan 0.000 0.444 61 I N -1.336 119.139 120.570 -0.159 0.000 2.226 61 I HA -0.275 3.881 4.170 -0.025 0.000 0.245 61 I C 2.611 178.796 176.117 0.113 0.000 1.100 61 I CA 1.615 62.893 61.300 -0.037 0.000 1.374 61 I CB -0.559 37.421 38.000 -0.034 0.000 1.057 61 I HN 0.550 nan 8.210 nan 0.000 0.413 62 H N 1.476 120.592 119.070 0.076 0.000 2.267 62 H HA -0.222 4.319 4.556 -0.025 0.000 0.297 62 H C 1.645 177.218 175.328 0.408 0.000 1.080 62 H CA 2.384 58.603 56.048 0.285 0.000 1.278 62 H CB -0.091 29.836 29.762 0.276 0.000 1.365 62 H HN 0.264 nan 8.280 nan 0.000 0.489 63 D N 0.254 120.963 120.400 0.516 0.000 2.178 63 D HA -0.048 4.577 4.640 -0.025 0.000 0.202 63 D C 2.233 178.749 176.300 0.360 0.000 0.974 63 D CA 1.131 55.452 54.000 0.535 0.000 0.841 63 D CB -0.439 40.746 40.800 0.642 0.000 0.953 63 D HN 0.482 nan 8.370 nan 0.000 0.478 64 A N -0.194 122.741 122.820 0.191 0.000 1.898 64 A HA -0.198 4.108 4.320 -0.025 0.000 0.216 64 A C 2.170 179.884 177.584 0.217 0.000 1.181 64 A CA 1.136 53.224 52.037 0.085 0.000 0.620 64 A CB -0.934 17.997 19.000 -0.115 0.000 0.819 64 A HN 0.352 nan 8.150 nan 0.000 0.442 65 Y N -0.848 119.463 120.300 0.020 0.000 2.184 65 Y HA -0.102 4.433 4.550 -0.024 0.000 0.290 65 Y C 1.764 177.570 175.900 -0.157 0.000 1.129 65 Y CA 1.763 59.794 58.100 -0.115 0.000 1.144 65 Y CB -0.304 37.950 38.460 -0.343 0.000 0.995 65 Y HN 0.264 nan 8.280 nan 0.000 0.513 66 F N -1.117 118.961 119.950 0.212 0.000 2.699 66 F HA -0.071 4.441 4.527 -0.025 0.000 0.298 66 F C 2.457 178.306 175.800 0.081 0.000 1.154 66 F CA 0.784 58.853 58.000 0.115 0.000 1.457 66 F CB -0.145 38.937 39.000 0.136 0.000 1.106 66 F HN -0.006 nan 8.300 nan 0.000 0.585 67 S N 0.021 115.881 115.700 0.267 0.000 2.425 67 S HA 0.054 4.509 4.470 -0.025 0.000 0.225 67 S C 1.926 176.573 174.600 0.078 0.000 1.024 67 S CA 0.674 59.021 58.200 0.245 0.000 0.951 67 S CB -0.025 63.465 63.200 0.483 0.000 0.796 67 S HN 0.295 nan 8.310 nan 0.000 0.498 68 I N -0.192 120.386 120.570 0.015 0.000 3.035 68 I HA 0.089 4.244 4.170 -0.025 0.000 0.271 68 I C -0.143 175.877 176.117 -0.162 0.000 1.190 68 I CA 0.426 61.670 61.300 -0.093 0.000 1.472 68 I CB 0.510 38.467 38.000 -0.071 0.000 1.116 68 I HN 0.206 nan 8.210 nan 0.000 0.443 69 C N 2.018 121.170 119.300 -0.246 0.000 3.188 69 C HA 0.366 4.811 4.460 -0.025 0.000 0.230 69 C C -2.326 172.682 174.990 0.031 0.000 1.239 69 C CA -1.459 57.444 59.018 -0.193 0.000 1.494 69 C CB -0.322 27.156 27.740 -0.437 0.000 1.798 69 C HN 0.056 nan 8.230 nan 0.000 0.458 70 P HA 0.084 nan 4.420 nan 0.000 0.263 70 P C -2.121 175.203 177.300 0.040 0.000 1.175 70 P CA -0.015 63.131 63.100 0.077 0.000 0.761 70 P CB 0.174 31.883 31.700 0.014 0.000 0.794 71 P HA 0.093 nan 4.420 nan 0.000 0.281 71 P C 0.541 177.586 177.300 -0.425 0.000 1.249 71 P CA -0.276 62.537 63.100 -0.478 0.000 0.810 71 P CB 1.100 31.870 31.700 -1.550 0.000 1.008 72 T N -1.068 113.284 114.554 -0.338 0.000 2.735 72 T HA -0.136 4.200 4.350 -0.025 0.000 0.256 72 T C 1.428 175.998 174.700 -0.217 0.000 1.042 72 T CA 1.563 63.541 62.100 -0.202 0.000 1.147 72 T CB -0.898 67.911 68.868 -0.098 0.000 0.865 72 T HN 0.411 nan 8.240 nan 0.000 0.421 73 D N 1.845 122.110 120.400 -0.224 0.000 2.083 73 D HA 0.054 4.679 4.640 -0.025 0.000 0.199 73 D C 0.946 177.195 176.300 -0.085 0.000 0.980 73 D CA 0.769 54.717 54.000 -0.087 0.000 0.851 73 D CB -0.331 40.516 40.800 0.079 0.000 0.997 73 D HN 0.518 nan 8.370 nan 0.000 0.449 74 F N -0.673 119.229 119.950 -0.079 0.000 2.181 74 F HA 0.566 5.079 4.527 -0.024 0.000 0.285 74 F C 0.541 176.314 175.800 -0.046 0.000 1.134 74 F CA -0.648 57.312 58.000 -0.067 0.000 1.139 74 F CB -0.380 38.577 39.000 -0.072 0.000 1.614 74 F HN -0.069 nan 8.300 nan 0.000 0.519 75 T N -1.347 113.355 114.554 0.247 0.000 2.812 75 T HA 0.432 4.767 4.350 -0.025 0.000 0.294 75 T C -0.933 174.010 174.700 0.406 0.000 1.159 75 T CA -0.366 61.827 62.100 0.155 0.000 1.008 75 T CB 0.904 69.830 68.868 0.096 0.000 1.289 75 T HN 1.026 nan 8.240 nan 0.000 0.514 76 T N 1.226 116.000 114.554 0.367 0.000 2.940 76 T HA 0.189 4.524 4.350 -0.025 0.000 0.309 76 T C 1.143 176.123 174.700 0.467 0.000 1.056 76 T CA -0.323 62.097 62.100 0.533 0.000 1.137 76 T CB 0.118 69.252 68.868 0.444 0.000 0.976 76 T HN 0.511 nan 8.240 nan 0.000 0.547 77 F N 2.375 122.545 119.950 0.366 0.000 2.091 77 F HA 0.088 4.601 4.527 -0.024 0.000 0.299 77 F C 0.697 176.631 175.800 0.224 0.000 1.103 77 F CA 1.311 59.456 58.000 0.241 0.000 1.228 77 F CB -0.075 39.081 39.000 0.259 0.000 0.984 77 F HN 0.461 nan 8.300 nan 0.000 0.477 78 L N 0.004 121.428 121.223 0.336 0.000 2.330 78 L HA 0.344 4.669 4.340 -0.025 0.000 0.271 78 L C 0.069 177.027 176.870 0.145 0.000 1.013 78 L CA -0.883 54.030 54.840 0.121 0.000 0.816 78 L CB 1.724 43.836 42.059 0.089 0.000 1.287 78 L HN 0.001 nan 8.230 nan 0.000 0.435 79 S N 1.080 116.825 115.700 0.076 0.000 2.593 79 S HA 0.516 4.972 4.470 -0.025 0.000 0.297 79 S C -2.281 172.365 174.600 0.078 0.000 1.112 79 S CA -1.344 56.905 58.200 0.082 0.000 1.043 79 S CB 1.980 65.205 63.200 0.041 0.000 1.054 79 S HN 0.360 nan 8.310 nan 0.000 0.516 80 P HA 0.155 nan 4.420 nan 0.000 0.231 80 P C 0.069 177.398 177.300 0.047 0.000 1.168 80 P CA 0.590 63.735 63.100 0.076 0.000 0.779 80 P CB 0.084 31.832 31.700 0.081 0.000 0.844 81 D N -1.766 118.655 120.400 0.035 0.000 2.349 81 D HA -0.001 4.624 4.640 -0.025 0.000 0.214 81 D C 0.693 177.000 176.300 0.013 0.000 1.063 81 D CA 0.546 54.558 54.000 0.020 0.000 0.847 81 D CB -0.279 40.529 40.800 0.014 0.000 0.933 81 D HN 0.105 nan 8.370 nan 0.000 0.513 82 T N -0.038 114.525 114.554 0.015 0.000 2.888 82 T HA 0.240 4.575 4.350 -0.025 0.000 0.301 82 T C 1.413 176.120 174.700 0.012 0.000 1.001 82 T CA 0.486 62.589 62.100 0.006 0.000 1.147 82 T CB 1.361 70.233 68.868 0.006 0.000 0.931 82 T HN 0.204 nan 8.240 nan 0.000 0.541 83 E N 4.120 124.322 120.200 0.003 0.000 2.106 83 E HA -0.104 4.231 4.350 -0.025 0.000 0.192 83 E C 1.208 177.819 176.600 0.019 0.000 0.984 83 E CA 0.940 57.344 56.400 0.007 0.000 0.806 83 E CB -0.508 29.191 29.700 -0.002 0.000 0.750 83 E HN 0.795 nan 8.360 nan 0.000 0.458 84 N N 0.709 119.425 118.700 0.026 0.000 2.416 84 N HA 0.249 4.974 4.740 -0.025 0.000 0.271 84 N C 1.112 176.671 175.510 0.083 0.000 1.245 84 N CA 0.513 53.602 53.050 0.064 0.000 0.940 84 N CB 0.951 39.491 38.487 0.089 0.000 1.175 84 N HN 0.320 nan 8.380 nan 0.000 0.483 85 A N 4.880 127.729 122.820 0.049 0.000 1.884 85 A HA -0.222 4.083 4.320 -0.025 0.000 0.219 85 A C 2.152 179.734 177.584 -0.003 0.000 1.197 85 A CA 2.230 54.280 52.037 0.022 0.000 0.637 85 A CB -1.120 17.885 19.000 0.008 0.000 0.827 85 A HN 0.776 nan 8.150 nan 0.000 0.450 86 A N -2.113 120.700 122.820 -0.013 0.000 1.986 86 A HA -0.124 4.181 4.320 -0.025 0.000 0.220 86 A C 1.765 179.174 177.584 -0.291 0.000 1.171 86 A CA 1.714 53.658 52.037 -0.155 0.000 0.640 86 A CB -0.656 18.232 19.000 -0.186 0.000 0.811 86 A HN 0.674 nan 8.150 nan 0.000 0.451 87 Y N -1.446 118.794 120.300 -0.099 0.000 2.555 87 Y HA 0.274 4.810 4.550 -0.025 0.000 0.259 87 Y C 0.909 176.741 175.900 -0.114 0.000 1.179 87 Y CA -0.342 57.679 58.100 -0.131 0.000 1.230 87 Y CB 0.247 38.636 38.460 -0.120 0.000 1.146 87 Y HN 0.158 nan 8.280 nan 0.000 0.526 88 R N 1.571 122.088 120.500 0.029 0.000 2.216 88 R HA 0.270 4.595 4.340 -0.025 0.000 0.332 88 R C -0.927 175.376 176.300 0.006 0.000 1.056 88 R CA -0.674 55.441 56.100 0.024 0.000 0.901 88 R CB 0.317 30.633 30.300 0.027 0.000 1.039 88 R HN 0.135 nan 8.270 nan 0.000 0.456 89 L N 7.755 129.004 121.223 0.043 0.000 2.367 89 L HA 0.317 4.643 4.340 -0.025 0.000 0.275 89 L C -2.166 174.787 176.870 0.138 0.000 1.129 89 L CA -1.614 53.279 54.840 0.088 0.000 0.839 89 L CB 0.877 43.036 42.059 0.168 0.000 1.133 89 L HN 0.585 nan 8.230 nan 0.000 0.453 90 P HA 0.134 nan 4.420 nan 0.000 0.270 90 P C -1.124 176.382 177.300 0.344 0.000 1.223 90 P CA -0.074 63.167 63.100 0.236 0.000 0.785 90 P CB 0.658 32.513 31.700 0.258 0.000 0.923 91 S N 2.527 118.342 115.700 0.192 0.000 2.565 91 S HA 0.337 4.793 4.470 -0.025 0.000 0.290 91 S C -1.571 172.890 174.600 -0.232 0.000 1.150 91 S CA -0.985 57.229 58.200 0.023 0.000 1.058 91 S CB 0.931 64.128 63.200 -0.005 0.000 1.032 91 S HN 0.358 nan 8.310 nan 0.000 0.510 92 P HA 0.012 nan 4.420 nan 0.000 0.214 92 P C -0.444 176.637 177.300 -0.365 0.000 1.162 92 P CA 0.610 63.182 63.100 -0.880 0.000 0.879 92 P CB -0.037 31.216 31.700 -0.745 0.000 0.786 93 N N -0.943 117.623 118.700 -0.223 0.000 2.671 93 N HA -0.158 4.568 4.740 -0.025 0.000 0.261 93 N C 1.017 176.466 175.510 -0.102 0.000 1.053 93 N CA 1.436 54.414 53.050 -0.119 0.000 0.732 93 N CB -1.694 36.748 38.487 -0.074 0.000 0.887 93 N HN 0.449 nan 8.380 nan 0.000 0.546 94 G N -1.758 106.977 108.800 -0.108 0.000 2.336 94 G HA2 -0.187 3.759 3.960 -0.025 0.000 0.233 94 G HA3 -0.187 3.759 3.960 -0.025 0.000 0.233 94 G C 0.344 175.193 174.900 -0.084 0.000 1.053 94 G CA 0.528 45.582 45.100 -0.077 0.000 0.625 94 G HN 1.441 nan 8.290 nan 0.000 0.511 95 A N 0.807 123.555 122.820 -0.121 0.000 2.548 95 A HA 0.525 4.830 4.320 -0.025 0.000 0.247 95 A C 0.820 178.341 177.584 -0.106 0.000 1.067 95 A CA 1.525 53.506 52.037 -0.093 0.000 0.757 95 A CB -0.320 18.599 19.000 -0.134 0.000 0.996 95 A HN 1.699 nan 8.150 nan 0.000 0.504 96 N N 0.538 119.214 118.700 -0.041 0.000 2.193 96 N HA 0.062 4.788 4.740 -0.025 0.000 0.236 96 N C -1.011 174.493 175.510 -0.011 0.000 1.347 96 N CA -0.377 52.649 53.050 -0.041 0.000 0.812 96 N CB 0.699 39.161 38.487 -0.041 0.000 1.297 96 N HN 0.434 nan 8.380 nan 0.000 0.499 97 D N 0.976 121.389 120.400 0.022 0.000 2.467 97 D HA 0.333 4.959 4.640 -0.025 0.000 0.220 97 D C 0.974 177.300 176.300 0.043 0.000 1.103 97 D CA -0.247 53.770 54.000 0.029 0.000 0.886 97 D CB 1.507 42.330 40.800 0.039 0.000 1.025 97 D HN 0.346 nan 8.370 nan 0.000 0.514 98 A N 4.639 127.475 122.820 0.027 0.000 1.908 98 A HA -0.207 4.099 4.320 -0.025 0.000 0.218 98 A C 2.123 179.768 177.584 0.102 0.000 1.181 98 A CA 1.279 53.357 52.037 0.068 0.000 0.627 98 A CB -0.230 18.772 19.000 0.004 0.000 0.818 98 A HN 0.607 nan 8.150 nan 0.000 0.445 99 R N -1.011 119.422 120.500 -0.112 0.000 2.081 99 R HA -0.165 4.160 4.340 -0.025 0.000 0.235 99 R C 2.142 178.325 176.300 -0.194 0.000 1.131 99 R CA 1.690 57.432 56.100 -0.596 0.000 0.960 99 R CB -0.203 29.725 30.300 -0.620 0.000 0.856 99 R HN 0.476 nan 8.270 nan 0.000 0.436 100 Q N -0.333 119.455 119.800 -0.020 0.000 2.230 100 Q HA -0.002 4.323 4.340 -0.025 0.000 0.202 100 Q C 1.915 177.981 176.000 0.109 0.000 0.963 100 Q CA 1.331 57.207 55.803 0.122 0.000 0.866 100 Q CB -0.014 28.819 28.738 0.159 0.000 0.931 100 Q HN 0.433 nan 8.270 nan 0.000 0.452 101 A N 0.224 123.093 122.820 0.082 0.000 1.929 101 A HA -0.075 4.230 4.320 -0.025 0.000 0.216 101 A C 2.377 179.909 177.584 -0.088 0.000 1.176 101 A CA 1.154 53.213 52.037 0.037 0.000 0.628 101 A CB -0.415 18.701 19.000 0.194 0.000 0.816 101 A HN 0.189 nan 8.150 nan 0.000 0.444 102 V N -0.182 119.742 119.914 0.016 0.000 2.379 102 V HA -0.189 3.916 4.120 -0.025 0.000 0.245 102 V C 3.037 178.958 176.094 -0.289 0.000 1.044 102 V CA 1.737 64.035 62.300 -0.003 0.000 1.036 102 V CB -1.138 30.890 31.823 0.341 0.000 0.664 102 V HN 0.594 nan 8.190 nan 0.000 0.453 103 A N 0.688 123.407 122.820 -0.168 0.000 1.877 103 A HA -0.116 4.189 4.320 -0.025 0.000 0.216 103 A C 2.424 179.663 177.584 -0.575 0.000 1.186 103 A CA 2.054 53.905 52.037 -0.310 0.000 0.620 103 A CB -1.284 17.901 19.000 0.308 0.000 0.822 103 A HN 0.520 nan 8.150 nan 0.000 0.443 104 G N -0.788 107.602 108.800 -0.683 0.000 2.422 104 G HA2 0.043 3.988 3.960 -0.025 0.000 0.218 104 G HA3 0.043 3.988 3.960 -0.025 0.000 0.218 104 G C 1.690 176.126 174.900 -0.774 0.000 1.146 104 G CA 1.399 45.700 45.100 -1.332 0.000 0.769 104 G HN 0.798 nan 8.290 nan 0.000 0.547 105 A N 0.970 123.451 122.820 -0.565 0.000 1.897 105 A HA 0.409 4.714 4.320 -0.025 0.000 0.215 105 A C 2.764 180.096 177.584 -0.420 0.000 1.181 105 A CA 1.982 53.767 52.037 -0.420 0.000 0.620 105 A CB -0.622 18.185 19.000 -0.323 0.000 0.821 105 A HN 0.659 nan 8.150 nan 0.000 0.443 106 A N -0.364 122.104 122.820 -0.587 0.000 1.897 106 A HA 0.062 4.367 4.320 -0.025 0.000 0.215 106 A C 2.163 179.424 177.584 -0.539 0.000 1.181 106 A CA 1.301 52.961 52.037 -0.628 0.000 0.620 106 A CB -0.550 17.800 19.000 -1.083 0.000 0.821 106 A HN 0.433 nan 8.150 nan 0.000 0.443 107 L N -0.855 119.980 121.223 -0.647 0.000 2.056 107 L HA -0.154 4.172 4.340 -0.025 0.000 0.207 107 L C 2.698 179.448 176.870 -0.201 0.000 1.078 107 L CA 1.316 55.963 54.840 -0.321 0.000 0.749 107 L CB -0.305 41.648 42.059 -0.175 0.000 0.901 107 L HN 0.259 nan 8.230 nan 0.000 0.433 108 K N -0.090 120.148 120.400 -0.269 0.000 2.001 108 K HA -0.195 4.110 4.320 -0.025 0.000 0.208 108 K C 2.093 178.566 176.600 -0.212 0.000 1.048 108 K CA 1.680 57.834 56.287 -0.222 0.000 0.932 108 K CB -0.291 32.056 32.500 -0.255 0.000 0.715 108 K HN 0.076 nan 8.250 nan 0.000 0.437 109 M N 1.089 120.577 119.600 -0.188 0.000 2.065 109 M HA -0.120 4.345 4.480 -0.025 0.000 0.259 109 M C 1.974 178.237 176.300 -0.062 0.000 1.069 109 M CA 1.542 56.775 55.300 -0.111 0.000 1.110 109 M CB -0.573 31.988 32.600 -0.066 0.000 1.328 109 M HN 0.118 nan 8.290 nan 0.000 0.405 110 L N -0.916 120.292 121.223 -0.026 0.000 2.083 110 L HA -0.215 4.111 4.340 -0.025 0.000 0.209 110 L C 2.318 179.267 176.870 0.131 0.000 1.083 110 L CA 1.315 56.224 54.840 0.115 0.000 0.752 110 L CB -0.905 41.205 42.059 0.085 0.000 0.899 110 L HN 0.340 nan 8.230 nan 0.000 0.433 111 S N -0.723 114.978 115.700 0.002 0.000 2.355 111 S HA -0.150 4.306 4.470 -0.025 0.000 0.222 111 S C 2.212 176.755 174.600 -0.095 0.000 1.031 111 S CA 1.472 59.665 58.200 -0.013 0.000 0.993 111 S CB -0.120 63.048 63.200 -0.052 0.000 0.859 111 S HN 0.338 nan 8.310 nan 0.000 0.453 112 S N 1.791 117.321 115.700 -0.283 0.000 2.370 112 S HA 0.006 4.462 4.470 -0.025 0.000 0.226 112 S C 1.826 176.197 174.600 -0.381 0.000 1.033 112 S CA 0.985 58.826 58.200 -0.598 0.000 1.011 112 S CB -0.447 61.923 63.200 -1.383 0.000 0.852 112 S HN 0.329 nan 8.310 nan 0.000 0.457 113 L N -0.853 120.286 121.223 -0.141 0.000 2.056 113 L HA -0.075 4.250 4.340 -0.025 0.000 0.207 113 L C 1.780 178.531 176.870 -0.198 0.000 1.078 113 L CA 1.376 56.206 54.840 -0.016 0.000 0.749 113 L CB -0.345 41.672 42.059 -0.070 0.000 0.901 113 L HN 0.352 nan 8.230 nan 0.000 0.433 114 Y N -1.015 119.324 120.300 0.066 0.000 2.457 114 Y HA 0.163 4.698 4.550 -0.025 0.000 0.263 114 Y C 1.197 177.189 175.900 0.153 0.000 1.164 114 Y CA -0.552 57.610 58.100 0.103 0.000 1.274 114 Y CB 0.077 38.578 38.460 0.067 0.000 1.097 114 Y HN 0.124 nan 8.280 nan 0.000 0.523 115 M N 0.076 119.771 119.600 0.159 0.000 2.247 115 M HA 0.296 4.761 4.480 -0.025 0.000 0.326 115 M C -0.297 175.924 176.300 -0.131 0.000 1.134 115 M CA -0.471 54.856 55.300 0.046 0.000 1.136 115 M CB 0.747 33.326 32.600 -0.034 0.000 1.454 115 M HN -0.104 nan 8.290 nan 0.000 0.467 116 K N 2.838 122.942 120.400 -0.494 0.000 2.419 116 K HA 0.142 4.448 4.320 -0.025 0.000 0.282 116 K C -2.073 174.301 176.600 -0.377 0.000 1.056 116 K CA -1.061 54.655 56.287 -0.952 0.000 1.035 116 K CB -0.330 31.680 32.500 -0.817 0.000 0.921 116 K HN 0.469 nan 8.250 nan 0.000 0.472 117 P HA -0.025 nan 4.420 nan 0.000 0.245 117 P C 0.483 177.733 177.300 -0.084 0.000 1.670 117 P CA 0.049 63.096 63.100 -0.088 0.000 1.146 117 P CB 0.053 31.748 31.700 -0.008 0.000 1.954 118 V N 1.200 121.056 119.914 -0.097 0.000 3.241 118 V HA -0.171 3.934 4.120 -0.025 0.000 0.269 118 V C 2.543 178.614 176.094 -0.038 0.000 1.151 118 V CA 2.213 64.471 62.300 -0.071 0.000 1.158 118 V CB -1.737 30.044 31.823 -0.071 0.000 0.764 118 V HN 0.432 nan 8.190 nan 0.000 0.508 119 E N -0.566 119.618 120.200 -0.026 0.000 2.461 119 E HA 0.188 4.524 4.350 -0.025 0.000 0.196 119 E C 1.694 178.293 176.600 -0.001 0.000 1.129 119 E CA 2.006 58.402 56.400 -0.007 0.000 0.902 119 E CB -1.092 28.613 29.700 0.010 0.000 0.963 119 E HN 1.005 nan 8.360 nan 0.000 0.503 120 Q N -2.876 116.920 119.800 -0.007 0.000 2.858 120 Q HA -0.241 4.084 4.340 -0.025 0.000 0.191 120 Q C 0.642 176.645 176.000 0.006 0.000 2.796 120 Q CA 2.471 58.273 55.803 -0.002 0.000 0.359 120 Q CB -3.207 25.531 28.738 -0.000 0.000 0.330 120 Q HN 1.620 nan 8.270 nan 0.000 0.511 121 P HA 0.624 nan 4.420 nan 0.000 0.249 121 P C 0.180 177.494 177.300 0.023 0.000 1.737 121 P CA 1.624 64.734 63.100 0.017 0.000 1.128 121 P CB -1.663 30.049 31.700 0.019 0.000 1.942 122 N N 0.286 118.999 118.700 0.022 0.000 2.082 122 N HA 0.520 5.245 4.740 -0.025 0.000 0.228 122 N C -0.898 174.632 175.510 0.033 0.000 1.341 122 N CA 0.770 53.839 53.050 0.033 0.000 0.873 122 N CB 0.166 38.672 38.487 0.032 0.000 1.137 122 N HN 0.636 nan 8.380 nan 0.000 0.505 123 P HA 0.487 nan 4.420 nan 0.000 0.271 123 P C 0.943 178.258 177.300 0.025 0.000 1.226 123 P CA 1.415 64.529 63.100 0.023 0.000 0.765 123 P CB -0.719 30.991 31.700 0.018 0.000 0.835 124 N N 0.372 119.087 118.700 0.026 0.000 2.932 124 N HA -0.291 4.434 4.740 -0.025 0.000 0.227 124 N C 0.410 175.939 175.510 0.033 0.000 0.854 124 N CA 2.733 55.801 53.050 0.030 0.000 1.064 124 N CB -2.958 35.549 38.487 0.033 0.000 1.029 124 N HN 0.738 nan 8.380 nan 0.000 0.619 125 P HA 0.306 nan 4.420 nan 0.000 0.216 125 P C 1.351 178.664 177.300 0.023 0.000 1.153 125 P CA 3.382 66.499 63.100 0.028 0.000 0.858 125 P CB -0.371 31.346 31.700 0.028 0.000 0.789 126 G N -3.186 105.629 108.800 0.026 0.000 5.371 126 G HA2 0.421 4.366 3.960 -0.025 0.000 0.208 126 G HA3 0.421 4.366 3.960 -0.025 0.000 0.208 126 G C 0.122 175.029 174.900 0.012 0.000 0.815 126 G CA 0.687 45.794 45.100 0.012 0.000 0.735 126 G HN 0.559 nan 8.290 nan 0.000 0.284 127 A N 0.201 123.033 122.820 0.020 0.000 2.770 127 A HA 0.531 4.836 4.320 -0.025 0.000 0.292 127 A C 1.046 178.621 177.584 -0.015 0.000 1.604 127 A CA 1.133 53.182 52.037 0.021 0.000 1.271 127 A CB -1.178 17.837 19.000 0.025 0.000 1.075 127 A HN 1.555 nan 8.150 nan 0.000 0.573 128 N N 1.924 120.605 118.700 -0.031 0.000 2.405 128 N HA 0.254 4.980 4.740 -0.025 0.000 0.221 128 N C -0.564 174.892 175.510 -0.089 0.000 1.386 128 N CA -0.119 52.888 53.050 -0.073 0.000 1.332 128 N CB -0.885 37.527 38.487 -0.125 0.000 1.256 128 N HN 0.519 nan 8.380 nan 0.000 0.587 129 I N 2.361 122.884 120.570 -0.079 0.000 2.362 129 I HA 0.455 4.610 4.170 -0.025 0.000 0.289 129 I C 0.994 177.051 176.117 -0.100 0.000 0.994 129 I CA -0.896 60.297 61.300 -0.178 0.000 1.158 129 I CB 1.840 39.608 38.000 -0.387 0.000 1.315 129 I HN 0.437 nan 8.210 nan 0.000 0.451 130 S N 3.316 118.959 115.700 -0.096 0.000 2.617 130 S HA 0.136 4.592 4.470 -0.025 0.000 0.259 130 S C 0.579 175.216 174.600 0.061 0.000 1.301 130 S CA -0.504 57.690 58.200 -0.011 0.000 0.984 130 S CB 0.957 64.144 63.200 -0.022 0.000 0.954 130 S HN 0.575 nan 8.310 nan 0.000 0.572 131 D N 0.101 120.570 120.400 0.116 0.000 2.317 131 D HA -0.044 4.581 4.640 -0.025 0.000 0.211 131 D C 1.534 177.913 176.300 0.132 0.000 0.966 131 D CA 0.422 54.534 54.000 0.187 0.000 0.876 131 D CB -0.433 40.436 40.800 0.115 0.000 0.927 131 D HN 0.616 nan 8.370 nan 0.000 0.519 132 N N 1.104 119.840 118.700 0.060 0.000 2.171 132 N HA -0.110 4.615 4.740 -0.025 0.000 0.184 132 N C 1.787 177.310 175.510 0.022 0.000 1.021 132 N CA 0.992 54.064 53.050 0.036 0.000 0.854 132 N CB 0.275 38.770 38.487 0.012 0.000 0.994 132 N HN 0.005 nan 8.380 nan 0.000 0.426 133 A N 0.613 123.412 122.820 -0.034 0.000 1.873 133 A HA -0.185 4.120 4.320 -0.025 0.000 0.218 133 A C 2.010 179.558 177.584 -0.060 0.000 1.193 133 A CA 1.260 53.232 52.037 -0.109 0.000 0.629 133 A CB -1.281 17.565 19.000 -0.257 0.000 0.826 133 A HN 0.512 nan 8.150 nan 0.000 0.447 134 Y N -0.373 119.939 120.300 0.020 0.000 2.181 134 Y HA -0.154 4.382 4.550 -0.023 0.000 0.288 134 Y C 2.931 178.845 175.900 0.023 0.000 1.146 134 Y CA 0.807 58.925 58.100 0.029 0.000 1.164 134 Y CB -0.210 38.264 38.460 0.024 0.000 0.982 134 Y HN 0.375 nan 8.280 nan 0.000 0.515 135 A N -0.306 122.618 122.820 0.173 0.000 1.930 135 A HA -0.184 4.121 4.320 -0.025 0.000 0.217 135 A C 2.082 179.704 177.584 0.064 0.000 1.175 135 A CA 1.276 53.371 52.037 0.097 0.000 0.627 135 A CB -0.390 18.652 19.000 0.071 0.000 0.815 135 A HN 0.348 nan 8.150 nan 0.000 0.443 136 Q N -0.299 119.530 119.800 0.049 0.000 2.119 136 Q HA -0.029 4.297 4.340 -0.025 0.000 0.201 136 Q C 2.119 178.127 176.000 0.014 0.000 0.972 136 Q CA 1.117 56.934 55.803 0.023 0.000 0.847 136 Q CB -0.363 28.380 28.738 0.009 0.000 0.903 136 Q HN 0.721 nan 8.270 nan 0.000 0.433 137 L N -0.509 120.731 121.223 0.028 0.000 2.156 137 L HA -0.052 4.274 4.340 -0.025 0.000 0.208 137 L C 2.313 179.199 176.870 0.027 0.000 1.095 137 L CA 0.980 55.823 54.840 0.005 0.000 0.770 137 L CB -0.674 41.417 42.059 0.054 0.000 0.914 137 L HN 0.243 nan 8.230 nan 0.000 0.439 138 G N 0.136 108.976 108.800 0.066 0.000 2.422 138 G HA2 -0.193 3.752 3.960 -0.025 0.000 0.218 138 G HA3 -0.193 3.752 3.960 -0.025 0.000 0.218 138 G C 1.632 176.557 174.900 0.043 0.000 1.146 138 G CA 0.415 45.552 45.100 0.061 0.000 0.769 138 G HN 0.199 nan 8.290 nan 0.000 0.547 139 L N 0.254 121.497 121.223 0.033 0.000 2.012 139 L HA -0.125 4.200 4.340 -0.025 0.000 0.210 139 L C 3.018 179.902 176.870 0.024 0.000 1.073 139 L CA 0.680 55.536 54.840 0.028 0.000 0.748 139 L CB -0.572 41.499 42.059 0.020 0.000 0.891 139 L HN 0.095 nan 8.230 nan 0.000 0.431 140 V N 0.031 119.946 119.914 0.001 0.000 2.332 140 V HA -0.311 3.795 4.120 -0.025 0.000 0.248 140 V C 2.397 178.500 176.094 0.015 0.000 1.055 140 V CA 1.754 64.043 62.300 -0.019 0.000 1.038 140 V CB -0.408 31.363 31.823 -0.086 0.000 0.651 140 V HN 0.328 nan 8.190 nan 0.000 0.450 141 L N -0.282 120.959 121.223 0.030 0.000 1.994 141 L HA -0.176 4.149 4.340 -0.025 0.000 0.208 141 L C 2.451 179.393 176.870 0.120 0.000 1.071 141 L CA 1.736 56.625 54.840 0.082 0.000 0.745 141 L CB -0.714 41.390 42.059 0.075 0.000 0.892 141 L HN 0.329 nan 8.230 nan 0.000 0.431 142 D N -0.438 120.015 120.400 0.089 0.000 2.117 142 D HA -0.202 4.423 4.640 -0.025 0.000 0.197 142 D C 2.241 178.601 176.300 0.100 0.000 0.987 142 D CA 1.081 55.135 54.000 0.090 0.000 0.829 142 D CB -0.147 40.689 40.800 0.061 0.000 0.961 142 D HN 0.158 nan 8.370 nan 0.000 0.460 143 R N 0.673 121.226 120.500 0.088 0.000 2.081 143 R HA -0.139 4.187 4.340 -0.025 0.000 0.235 143 R C 2.419 178.803 176.300 0.139 0.000 1.131 143 R CA 1.735 57.889 56.100 0.090 0.000 0.960 143 R CB -0.109 30.233 30.300 0.071 0.000 0.856 143 R HN 0.217 nan 8.270 nan 0.000 0.436 144 S N -0.506 115.302 115.700 0.180 0.000 2.383 144 S HA -0.111 4.344 4.470 -0.025 0.000 0.229 144 S C 1.999 176.800 174.600 0.334 0.000 1.030 144 S CA 1.452 59.827 58.200 0.292 0.000 1.002 144 S CB -0.494 62.856 63.200 0.250 0.000 0.829 144 S HN 0.146 nan 8.310 nan 0.000 0.467 145 V N 2.233 122.328 119.914 0.300 0.000 2.407 145 V HA -0.111 3.995 4.120 -0.025 0.000 0.248 145 V C 2.553 178.729 176.094 0.136 0.000 1.055 145 V CA 1.791 64.262 62.300 0.286 0.000 1.049 145 V CB -0.895 31.057 31.823 0.215 0.000 0.662 145 V HN 0.498 nan 8.190 nan 0.000 0.455 146 L N -0.232 121.047 121.223 0.093 0.000 2.156 146 L HA -0.116 4.210 4.340 -0.025 0.000 0.208 146 L C 2.289 179.145 176.870 -0.024 0.000 1.095 146 L CA 1.471 56.330 54.840 0.031 0.000 0.770 146 L CB -0.519 41.561 42.059 0.036 0.000 0.914 146 L HN 0.399 nan 8.230 nan 0.000 0.439 147 E N 0.467 120.655 120.200 -0.020 0.000 2.474 147 E HA 0.167 4.502 4.350 -0.025 0.000 0.194 147 E C 0.780 177.033 176.600 -0.579 0.000 1.041 147 E CA -0.051 56.272 56.400 -0.128 0.000 0.874 147 E CB 0.196 29.941 29.700 0.075 0.000 0.914 147 E HN 0.345 nan 8.360 nan 0.000 0.498 148 A N 3.844 126.223 122.820 -0.736 0.000 2.548 148 A HA 0.079 4.385 4.320 -0.025 0.000 0.247 148 A C -2.048 175.120 177.584 -0.695 0.000 1.067 148 A CA -1.034 50.255 52.037 -1.247 0.000 0.757 148 A CB -0.313 18.388 19.000 -0.499 0.000 0.996 148 A HN -0.028 nan 8.150 nan 0.000 0.504 149 P HA 0.198 nan 4.420 nan 0.000 0.266 149 P C 0.903 178.109 177.300 -0.157 0.000 1.215 149 P CA 1.357 64.278 63.100 -0.299 0.000 0.763 149 P CB 0.769 32.356 31.700 -0.190 0.000 0.806 150 G N 2.251 110.987 108.800 -0.107 0.000 2.213 150 G HA2 0.024 3.970 3.960 -0.025 0.000 0.236 150 G HA3 0.024 3.970 3.960 -0.025 0.000 0.236 150 G C 0.456 175.322 174.900 -0.057 0.000 0.991 150 G CA 0.227 45.289 45.100 -0.062 0.000 0.629 150 G HN 1.026 nan 8.290 nan 0.000 0.517 151 G N -2.203 106.553 108.800 -0.074 0.000 2.756 151 G HA2 0.290 4.235 3.960 -0.025 0.000 0.678 151 G HA3 0.290 4.235 3.960 -0.025 0.000 0.678 151 G C -0.491 174.420 174.900 0.018 0.000 1.349 151 G CA 0.058 45.135 45.100 -0.039 0.000 0.847 151 G HN 1.605 nan 8.290 nan 0.000 0.548 152 V N 0.834 120.766 119.914 0.029 0.000 2.443 152 V HA 0.560 4.665 4.120 -0.025 0.000 0.293 152 V C -0.683 175.353 176.094 -0.096 0.000 1.021 152 V CA -0.262 62.072 62.300 0.058 0.000 0.848 152 V CB 1.837 33.760 31.823 0.167 0.000 0.998 152 V HN 0.901 nan 8.190 nan 0.000 0.424 153 D N 3.761 124.073 120.400 -0.145 0.000 2.485 153 D HA 0.321 4.946 4.640 -0.025 0.000 0.229 153 D C 1.223 177.213 176.300 -0.516 0.000 1.101 153 D CA -0.482 53.384 54.000 -0.224 0.000 0.906 153 D CB 0.926 41.670 40.800 -0.092 0.000 1.019 153 D HN 0.404 nan 8.370 nan 0.000 0.516 154 R N 1.735 121.788 120.500 -0.746 0.000 2.241 154 R HA -0.090 4.235 4.340 -0.025 0.000 0.224 154 R C 0.970 177.025 176.300 -0.407 0.000 1.101 154 R CA 1.042 56.496 56.100 -1.076 0.000 0.995 154 R CB 0.308 30.224 30.300 -0.641 0.000 0.870 154 R HN 0.510 nan 8.270 nan 0.000 0.463 155 E N 0.228 120.297 120.200 -0.217 0.000 2.318 155 E HA 0.005 4.341 4.350 -0.025 0.000 0.193 155 E C 0.461 177.060 176.600 -0.001 0.000 0.998 155 E CA -0.067 56.291 56.400 -0.070 0.000 0.859 155 E CB 0.251 29.916 29.700 -0.058 0.000 0.812 155 E HN -0.005 nan 8.360 nan 0.000 0.492 156 S N 0.302 116.003 115.700 0.002 0.000 2.552 156 S HA 0.089 4.544 4.470 -0.025 0.000 0.289 156 S C 1.212 175.900 174.600 0.147 0.000 1.304 156 S CA 0.184 58.429 58.200 0.075 0.000 1.063 156 S CB 1.012 64.271 63.200 0.099 0.000 0.848 156 S HN 0.304 nan 8.310 nan 0.000 0.499 157 A N 4.624 127.512 122.820 0.113 0.000 1.930 157 A HA -0.009 4.296 4.320 -0.025 0.000 0.217 157 A C 2.387 180.081 177.584 0.183 0.000 1.175 157 A CA 1.883 53.994 52.037 0.124 0.000 0.627 157 A CB -1.084 17.959 19.000 0.071 0.000 0.815 157 A HN 0.839 nan 8.150 nan 0.000 0.443 158 S N -1.053 114.753 115.700 0.177 0.000 2.382 158 S HA -0.135 4.320 4.470 -0.025 0.000 0.228 158 S C 1.641 176.391 174.600 0.250 0.000 1.027 158 S CA 1.425 59.763 58.200 0.231 0.000 0.991 158 S CB -0.509 62.789 63.200 0.162 0.000 0.823 158 S HN 0.637 nan 8.310 nan 0.000 0.469 159 F N 2.065 122.058 119.950 0.072 0.000 2.146 159 F HA -0.062 4.450 4.527 -0.025 0.000 0.298 159 F C 2.153 177.965 175.800 0.020 0.000 1.096 159 F CA 1.359 59.374 58.000 0.026 0.000 1.275 159 F CB -0.323 38.684 39.000 0.012 0.000 1.008 159 F HN 0.098 nan 8.300 nan 0.000 0.480 160 M N -0.881 118.882 119.600 0.272 0.000 2.117 160 M HA -0.167 4.299 4.480 -0.025 0.000 0.262 160 M C 2.153 178.497 176.300 0.074 0.000 1.065 160 M CA 1.701 57.096 55.300 0.158 0.000 1.114 160 M CB -0.746 31.966 32.600 0.188 0.000 1.361 160 M HN 0.338 nan 8.290 nan 0.000 0.408 161 F N 1.154 121.102 119.950 -0.003 0.000 2.134 161 F HA -0.032 4.480 4.527 -0.024 0.000 0.299 161 F C 2.099 177.871 175.800 -0.046 0.000 1.097 161 F CA 1.654 59.648 58.000 -0.010 0.000 1.264 161 F CB -1.056 37.948 39.000 0.007 0.000 1.001 161 F HN 0.054 nan 8.300 nan 0.000 0.479 162 G N 0.111 108.647 108.800 -0.440 0.000 2.421 162 G HA2 -0.257 3.688 3.960 -0.025 0.000 0.216 162 G HA3 -0.257 3.688 3.960 -0.025 0.000 0.216 162 G C 1.511 176.130 174.900 -0.467 0.000 1.171 162 G CA 0.869 45.628 45.100 -0.570 0.000 0.775 162 G HN 0.510 nan 8.290 nan 0.000 0.543 163 E N 0.544 120.487 120.200 -0.428 0.000 2.153 163 E HA -0.044 4.291 4.350 -0.025 0.000 0.194 163 E C 2.441 178.924 176.600 -0.194 0.000 0.988 163 E CA 1.051 57.260 56.400 -0.320 0.000 0.811 163 E CB -0.339 29.204 29.700 -0.262 0.000 0.746 163 E HN 0.578 nan 8.360 nan 0.000 0.466 164 D N 0.957 121.257 120.400 -0.168 0.000 2.117 164 D HA -0.090 4.535 4.640 -0.025 0.000 0.197 164 D C 2.171 178.412 176.300 -0.098 0.000 0.987 164 D CA 1.375 55.324 54.000 -0.085 0.000 0.829 164 D CB -0.716 40.083 40.800 -0.002 0.000 0.961 164 D HN -0.008 nan 8.370 nan 0.000 0.460 165 V N 0.964 120.747 119.914 -0.218 0.000 2.295 165 V HA -0.054 4.051 4.120 -0.025 0.000 0.246 165 V C 3.290 179.438 176.094 0.089 0.000 1.049 165 V CA 1.911 64.150 62.300 -0.102 0.000 1.024 165 V CB -0.790 30.879 31.823 -0.256 0.000 0.648 165 V HN 0.640 nan 8.190 nan 0.000 0.447 166 A N -0.240 122.571 122.820 -0.016 0.000 1.908 166 A HA -0.272 4.033 4.320 -0.025 0.000 0.218 166 A C 2.010 179.658 177.584 0.106 0.000 1.181 166 A CA 2.042 54.103 52.037 0.041 0.000 0.627 166 A CB -0.652 18.284 19.000 -0.107 0.000 0.818 166 A HN 0.563 nan 8.150 nan 0.000 0.445 167 D N -0.145 120.273 120.400 0.030 0.000 2.104 167 D HA -0.126 4.499 4.640 -0.025 0.000 0.194 167 D C 2.134 178.485 176.300 0.084 0.000 0.994 167 D CA 1.635 55.669 54.000 0.055 0.000 0.830 167 D CB -0.487 40.316 40.800 0.004 0.000 0.959 167 D HN 0.241 nan 8.370 nan 0.000 0.452 168 V N 0.700 120.626 119.914 0.021 0.000 2.255 168 V HA -0.250 3.856 4.120 -0.025 0.000 0.247 168 V C 2.295 178.314 176.094 -0.126 0.000 1.051 168 V CA 1.468 63.716 62.300 -0.087 0.000 1.018 168 V CB -0.716 30.999 31.823 -0.179 0.000 0.641 168 V HN 0.080 nan 8.190 nan 0.000 0.445 169 F N -1.051 118.891 119.950 -0.014 0.000 2.171 169 F HA -0.156 4.356 4.527 -0.024 0.000 0.300 169 F C 2.145 177.924 175.800 -0.035 0.000 1.090 169 F CA 2.025 59.997 58.000 -0.046 0.000 1.293 169 F CB -0.506 38.468 39.000 -0.044 0.000 1.013 169 F HN 0.107 nan 8.300 nan 0.000 0.486 170 F N 0.606 120.604 119.950 0.080 0.000 2.084 170 F HA -0.128 4.384 4.527 -0.025 0.000 0.296 170 F C 2.397 178.189 175.800 -0.013 0.000 1.111 170 F CA 1.291 59.306 58.000 0.025 0.000 1.224 170 F CB -0.830 38.173 39.000 0.005 0.000 0.991 170 F HN -0.102 nan 8.300 nan 0.000 0.471 171 A N -0.012 122.847 122.820 0.065 0.000 1.940 171 A HA -0.190 4.115 4.320 -0.025 0.000 0.219 171 A C 2.091 179.584 177.584 -0.152 0.000 1.176 171 A CA 1.949 53.961 52.037 -0.042 0.000 0.631 171 A CB -1.176 17.825 19.000 0.001 0.000 0.814 171 A HN 0.511 nan 8.150 nan 0.000 0.446 172 L N -1.116 119.997 121.223 -0.182 0.000 2.068 172 L HA 0.136 4.461 4.340 -0.025 0.000 0.204 172 L C 1.875 178.620 176.870 -0.209 0.000 1.076 172 L CA 1.615 56.304 54.840 -0.251 0.000 0.753 172 L CB -0.157 41.666 42.059 -0.393 0.000 0.910 172 L HN 0.332 nan 8.230 nan 0.000 0.439 173 L N -0.711 120.400 121.223 -0.187 0.000 2.640 173 L HA 0.145 4.470 4.340 -0.025 0.000 0.230 173 L C 0.716 177.533 176.870 -0.089 0.000 1.123 173 L CA -0.156 54.608 54.840 -0.126 0.000 0.900 173 L CB -0.394 41.516 42.059 -0.249 0.000 1.146 173 L HN 0.292 nan 8.230 nan 0.000 0.484 174 N N 1.139 119.656 118.700 -0.306 0.000 2.492 174 N HA -0.065 4.660 4.740 -0.025 0.000 0.262 174 N C -0.829 174.557 175.510 -0.205 0.000 1.202 174 N CA 0.200 52.996 53.050 -0.423 0.000 0.926 174 N CB 0.754 38.589 38.487 -1.086 0.000 1.078 174 N HN -0.037 nan 8.380 nan 0.000 0.454 175 D N 4.800 125.140 120.400 -0.101 0.000 2.456 175 D HA 0.247 4.872 4.640 -0.025 0.000 0.287 175 D C -1.390 174.891 176.300 -0.032 0.000 1.186 175 D CA -1.986 52.002 54.000 -0.020 0.000 0.916 175 D CB 1.066 41.927 40.800 0.101 0.000 1.029 175 D HN 0.429 nan 8.370 nan 0.000 0.498 176 P HA -0.174 nan 4.420 nan 0.000 0.216 176 P C 0.589 177.886 177.300 -0.005 0.000 1.157 176 P CA 0.962 64.047 63.100 -0.026 0.000 0.880 176 P CB 0.371 32.061 31.700 -0.016 0.000 0.791 177 R N -0.610 119.894 120.500 0.007 0.000 2.609 177 R HA 0.264 4.590 4.340 -0.025 0.000 0.326 177 R C 2.121 178.447 176.300 0.044 0.000 1.090 177 R CA 0.224 56.337 56.100 0.023 0.000 1.072 177 R CB -0.285 30.030 30.300 0.026 0.000 1.330 177 R HN 0.202 nan 8.270 nan 0.000 0.572 178 G N 1.176 110.004 108.800 0.047 0.000 2.440 178 G HA2 -0.291 3.654 3.960 -0.025 0.000 0.218 178 G HA3 -0.291 3.654 3.960 -0.025 0.000 0.218 178 G C 1.222 176.151 174.900 0.048 0.000 1.154 178 G CA 0.884 46.060 45.100 0.128 0.000 0.767 178 G HN 0.387 nan 8.290 nan 0.000 0.552 179 A N -0.004 122.756 122.820 -0.100 0.000 2.302 179 A HA 0.530 4.835 4.320 -0.025 0.000 0.219 179 A C 1.346 178.889 177.584 -0.069 0.000 1.243 179 A CA 0.493 52.409 52.037 -0.202 0.000 0.856 179 A CB -0.253 18.572 19.000 -0.291 0.000 0.893 179 A HN 0.302 nan 8.150 nan 0.000 0.491 180 S N -0.046 115.682 115.700 0.047 0.000 2.544 180 S HA -0.013 4.442 4.470 -0.025 0.000 0.290 180 S C 0.999 175.714 174.600 0.191 0.000 1.276 180 S CA 0.231 58.510 58.200 0.131 0.000 1.075 180 S CB 0.475 63.769 63.200 0.157 0.000 0.849 180 S HN 0.661 nan 8.310 nan 0.000 0.494 181 Q N 3.041 122.953 119.800 0.188 0.000 2.384 181 Q HA 0.130 4.456 4.340 -0.025 0.000 0.207 181 Q C 0.303 176.545 176.000 0.402 0.000 0.904 181 Q CA -0.029 55.893 55.803 0.198 0.000 0.933 181 Q CB 0.075 28.955 28.738 0.237 0.000 1.077 181 Q HN 0.870 nan 8.270 nan 0.000 0.522 182 E N -0.431 119.988 120.200 0.366 0.000 2.729 182 E HA -0.032 4.304 4.350 -0.025 0.000 0.246 182 E C 0.332 177.138 176.600 0.343 0.000 0.984 182 E CA 1.021 57.600 56.400 0.300 0.000 0.951 182 E CB -0.157 29.646 29.700 0.173 0.000 0.914 182 E HN 0.548 nan 8.360 nan 0.000 0.509 183 G N 3.667 112.643 108.800 0.292 0.000 2.254 183 G HA2 -0.338 3.607 3.960 -0.025 0.000 0.225 183 G HA3 -0.338 3.607 3.960 -0.025 0.000 0.225 183 G C -0.269 174.842 174.900 0.351 0.000 1.003 183 G CA 0.174 45.423 45.100 0.249 0.000 0.622 183 G HN 0.637 nan 8.290 nan 0.000 0.507 184 Y N 2.936 123.466 120.300 0.383 0.000 2.319 184 Y HA 0.645 5.180 4.550 -0.025 0.000 0.328 184 Y C -0.127 175.848 175.900 0.125 0.000 1.133 184 Y CA -0.497 57.727 58.100 0.207 0.000 1.265 184 Y CB 0.690 39.090 38.460 -0.100 0.000 1.218 184 Y HN 0.182 nan 8.280 nan 0.000 0.508 185 N N 7.389 125.473 118.700 -1.027 0.000 2.369 185 N HA 0.257 4.982 4.740 -0.025 0.000 0.287 185 N C -3.034 171.870 175.510 -1.010 0.000 1.067 185 N CA -1.346 51.221 53.050 -0.805 0.000 0.888 185 N CB 2.495 40.840 38.487 -0.237 0.000 1.616 185 N HN 0.421 nan 8.380 nan 0.000 0.482 186 P HA 0.115 nan 4.420 nan 0.000 0.270 186 P C -0.572 176.648 177.300 -0.134 0.000 1.223 186 P CA 0.035 62.968 63.100 -0.279 0.000 0.785 186 P CB 0.537 32.155 31.700 -0.137 0.000 0.923 187 T N 2.222 116.765 114.554 -0.019 0.000 3.154 187 T HA 0.340 4.675 4.350 -0.025 0.000 0.381 187 T C -2.358 172.342 174.700 -0.001 0.000 1.368 187 T CA -1.359 60.735 62.100 -0.010 0.000 1.155 187 T CB 0.034 68.912 68.868 0.017 0.000 1.120 187 T HN 0.275 nan 8.240 nan 0.000 0.570 188 P HA 0.412 nan 4.420 nan 0.000 0.266 188 P C 0.492 177.770 177.300 -0.036 0.000 1.186 188 P CA 0.737 63.828 63.100 -0.015 0.000 0.767 188 P CB 0.493 32.188 31.700 -0.009 0.000 0.820 189 G N 0.585 109.345 108.800 -0.067 0.000 2.336 189 G HA2 0.181 4.126 3.960 -0.025 0.000 0.300 189 G HA3 0.181 4.126 3.960 -0.025 0.000 0.300 189 G C -1.453 173.266 174.900 -0.302 0.000 1.375 189 G CA -1.081 43.942 45.100 -0.128 0.000 0.885 189 G HN 0.570 nan 8.290 nan 0.000 0.599 190 R N -0.281 119.976 120.500 -0.405 0.000 2.522 190 R HA 0.393 4.718 4.340 -0.025 0.000 0.284 190 R C 0.366 175.955 176.300 -1.184 0.000 1.032 190 R CA 0.762 56.327 56.100 -0.892 0.000 1.049 190 R CB -0.286 29.553 30.300 -0.768 0.000 0.956 190 R HN 1.049 nan 8.270 nan 0.000 0.422 191 Y N 0.063 119.001 120.300 -2.270 0.000 4.907 191 Y HA -0.299 4.236 4.550 -0.025 0.000 0.246 191 Y C -0.158 174.914 175.900 -1.379 0.000 0.968 191 Y CA 0.651 57.323 58.100 -2.379 0.000 1.961 191 Y CB -1.040 36.714 38.460 -1.177 0.000 1.487 191 Y HN 0.483 nan 8.280 nan 0.000 0.575 192 K N 1.436 121.391 120.400 -0.741 0.000 2.183 192 K HA 0.337 4.642 4.320 -0.025 0.000 0.274 192 K C -0.265 176.409 176.600 0.123 0.000 1.009 192 K CA -0.789 55.404 56.287 -0.158 0.000 0.888 192 K CB 0.675 33.123 32.500 -0.086 0.000 1.078 192 K HN 0.096 nan 8.250 nan 0.000 0.459 193 F N 2.452 122.471 119.950 0.116 0.000 2.563 193 F HA 0.112 4.624 4.527 -0.025 0.000 0.363 193 F C 0.251 176.159 175.800 0.181 0.000 1.123 193 F CA 0.617 58.729 58.000 0.187 0.000 1.307 193 F CB 0.520 39.598 39.000 0.129 0.000 1.115 193 F HN 0.544 nan 8.300 nan 0.000 0.592 194 D N 2.982 122.847 120.400 -0.892 0.000 2.665 194 D HA 0.168 4.793 4.640 -0.025 0.000 0.287 194 D C -1.710 174.174 176.300 -0.693 0.000 1.266 194 D CA -0.582 53.036 54.000 -0.637 0.000 0.830 194 D CB 1.462 42.150 40.800 -0.186 0.000 1.356 194 D HN 0.496 nan 8.370 nan 0.000 0.437 195 D N 0.821 121.082 120.400 -0.232 0.000 2.493 195 D HA 0.091 4.716 4.640 -0.025 0.000 0.240 195 D C -0.037 176.220 176.300 -0.072 0.000 1.142 195 D CA 0.474 54.435 54.000 -0.065 0.000 0.872 195 D CB 0.695 41.520 40.800 0.042 0.000 1.173 195 D HN 0.343 nan 8.370 nan 0.000 0.467 196 E N 3.201 123.392 120.200 -0.015 0.000 2.384 196 E HA 0.059 4.394 4.350 -0.025 0.000 0.266 196 E C -1.895 174.712 176.600 0.010 0.000 1.012 196 E CA -1.130 55.273 56.400 0.006 0.000 0.901 196 E CB 0.692 30.425 29.700 0.056 0.000 0.967 196 E HN 0.132 nan 8.360 nan 0.000 0.435 197 P HA -0.257 nan 4.420 nan 0.000 0.218 197 P C 0.983 178.250 177.300 -0.056 0.000 1.146 197 P CA 1.695 64.775 63.100 -0.034 0.000 0.813 197 P CB -0.038 31.634 31.700 -0.046 0.000 0.778 198 T N -5.120 109.396 114.554 -0.064 0.000 3.067 198 T HA -0.022 4.313 4.350 -0.025 0.000 0.257 198 T C 0.541 174.991 174.700 -0.416 0.000 1.105 198 T CA 0.501 62.482 62.100 -0.198 0.000 1.104 198 T CB -0.745 68.015 68.868 -0.181 0.000 0.925 198 T HN 0.194 nan 8.240 nan 0.000 0.498 199 H N 1.033 120.105 119.070 0.003 0.000 2.597 199 H HA 0.322 4.864 4.556 -0.025 0.000 0.225 199 H C -1.985 173.338 175.328 -0.009 0.000 1.422 199 H CA -1.479 54.570 56.048 0.002 0.000 1.335 199 H CB 1.195 30.964 29.762 0.011 0.000 1.783 199 H HN 0.139 nan 8.280 nan 0.000 0.513 200 P HA -0.118 nan 4.420 nan 0.000 0.218 200 P C 0.271 177.579 177.300 0.012 0.000 1.148 200 P CA 0.907 64.020 63.100 0.022 0.000 0.822 200 P CB 1.125 32.827 31.700 0.003 0.000 0.784 201 V N -0.889 119.037 119.914 0.020 0.000 3.167 201 V HA 0.447 4.553 4.120 -0.025 0.000 0.293 201 V C -1.574 174.547 176.094 0.046 0.000 1.379 201 V CA -1.018 61.286 62.300 0.007 0.000 1.019 201 V CB 2.499 34.333 31.823 0.019 0.000 1.115 201 V HN -0.071 nan 8.190 nan 0.000 0.442 202 V N 3.626 123.581 119.914 0.069 0.000 2.823 202 V HA 0.728 4.833 4.120 -0.025 0.000 0.312 202 V C -0.988 175.196 176.094 0.149 0.000 1.072 202 V CA -0.863 61.510 62.300 0.121 0.000 0.937 202 V CB 1.947 33.866 31.823 0.159 0.000 1.013 202 V HN 0.799 nan 8.190 nan 0.000 0.430 203 L N 5.198 126.485 121.223 0.106 0.000 2.265 203 L HA 0.648 4.973 4.340 -0.025 0.000 0.289 203 L C -0.256 176.654 176.870 0.066 0.000 1.033 203 L CA -0.476 54.413 54.840 0.083 0.000 0.814 203 L CB 1.296 43.387 42.059 0.053 0.000 1.203 203 L HN 0.782 nan 8.230 nan 0.000 0.423 204 I N 1.816 122.415 120.570 0.048 0.000 2.569 204 I HA 0.611 4.767 4.170 -0.025 0.000 0.296 204 I C -2.474 173.628 176.117 -0.026 0.000 1.028 204 I CA -2.649 58.644 61.300 -0.012 0.000 1.082 204 I CB 2.018 39.957 38.000 -0.102 0.000 1.264 204 I HN 0.285 nan 8.210 nan 0.000 0.429 205 P HA -0.043 nan 4.420 nan 0.000 0.265 205 P C 0.969 178.248 177.300 -0.036 0.000 1.187 205 P CA -0.075 63.010 63.100 -0.025 0.000 0.766 205 P CB 1.486 33.170 31.700 -0.025 0.000 0.820 206 V N 1.909 121.811 119.914 -0.021 0.000 2.332 206 V HA -0.195 3.911 4.120 -0.025 0.000 0.248 206 V C 1.097 177.175 176.094 -0.027 0.000 1.055 206 V CA 2.208 64.496 62.300 -0.020 0.000 1.038 206 V CB -0.914 30.905 31.823 -0.006 0.000 0.651 206 V HN 0.673 nan 8.190 nan 0.000 0.450 207 D N -1.101 119.286 120.400 -0.021 0.000 2.408 207 D HA 0.273 4.898 4.640 -0.025 0.000 0.243 207 D C -1.561 174.726 176.300 -0.023 0.000 1.075 207 D CA -1.982 52.007 54.000 -0.019 0.000 0.832 207 D CB 2.051 42.846 40.800 -0.008 0.000 1.162 207 D HN 0.008 nan 8.370 nan 0.000 0.515 208 P HA -0.136 nan 4.420 nan 0.000 0.219 208 P C 0.250 177.540 177.300 -0.017 0.000 1.146 208 P CA 0.803 63.884 63.100 -0.033 0.000 0.808 208 P CB 0.312 31.988 31.700 -0.041 0.000 0.779 209 N N 0.024 118.722 118.700 -0.004 0.000 2.362 209 N HA -0.001 4.724 4.740 -0.025 0.000 0.211 209 N C 0.165 175.675 175.510 0.001 0.000 1.170 209 N CA 0.338 53.391 53.050 0.005 0.000 0.828 209 N CB -0.448 38.049 38.487 0.017 0.000 1.034 209 N HN 0.141 nan 8.380 nan 0.000 0.475 210 N N 0.383 119.080 118.700 -0.005 0.000 2.700 210 N HA 0.134 4.859 4.740 -0.025 0.000 0.242 210 N C -2.039 173.466 175.510 -0.009 0.000 1.541 210 N CA -1.256 51.791 53.050 -0.005 0.000 0.764 210 N CB 1.033 39.518 38.487 -0.003 0.000 1.319 210 N HN -0.100 nan 8.380 nan 0.000 0.518 211 P HA -0.054 nan 4.420 nan 0.000 0.215 211 P C 0.366 177.662 177.300 -0.008 0.000 1.157 211 P CA 1.139 64.232 63.100 -0.011 0.000 0.863 211 P CB 0.456 32.149 31.700 -0.011 0.000 0.787 212 N N -0.303 118.393 118.700 -0.006 0.000 2.383 212 N HA 0.074 4.799 4.740 -0.025 0.000 0.192 212 N C 1.299 176.807 175.510 -0.003 0.000 1.141 212 N CA 0.347 53.394 53.050 -0.005 0.000 0.851 212 N CB -0.365 38.119 38.487 -0.005 0.000 0.976 212 N HN 0.196 nan 8.380 nan 0.000 0.465 213 G N 0.725 109.523 108.800 -0.003 0.000 2.666 213 G HA2 0.303 4.248 3.960 -0.025 0.000 0.207 213 G HA3 0.303 4.248 3.960 -0.025 0.000 0.207 213 G C -2.231 172.669 174.900 -0.000 0.000 1.481 213 G CA -0.551 44.548 45.100 -0.002 0.000 1.071 213 G HN 0.050 nan 8.290 nan 0.000 0.572 214 P HA 0.259 nan 4.420 nan 0.000 0.271 214 P C -0.505 176.796 177.300 0.002 0.000 1.233 214 P CA 0.032 63.134 63.100 0.003 0.000 0.789 214 P CB 0.609 32.312 31.700 0.004 0.000 0.951 215 K N 0.848 121.253 120.400 0.007 0.000 2.444 215 K HA 0.735 5.040 4.320 -0.025 0.000 0.252 215 K C -0.408 176.203 176.600 0.018 0.000 0.993 215 K CA -0.702 55.591 56.287 0.010 0.000 0.847 215 K CB 2.202 34.711 32.500 0.015 0.000 1.340 215 K HN 0.573 nan 8.250 nan 0.000 0.446 216 M N -1.078 118.538 119.600 0.026 0.000 2.484 216 M HA 0.474 4.939 4.480 -0.025 0.000 0.289 216 M C -3.006 173.342 176.300 0.079 0.000 1.206 216 M CA -2.214 53.112 55.300 0.043 0.000 0.892 216 M CB 2.174 34.794 32.600 0.033 0.000 1.712 216 M HN 0.029 nan 8.290 nan 0.000 0.462 217 P HA 0.276 nan 4.420 nan 0.000 0.268 217 P C -1.636 175.792 177.300 0.213 0.000 1.205 217 P CA 0.233 63.405 63.100 0.120 0.000 0.771 217 P CB 0.231 31.981 31.700 0.084 0.000 0.858 218 F N 3.021 122.974 119.950 0.005 0.000 2.588 218 F HA 0.438 4.950 4.527 -0.025 0.000 0.318 218 F C -1.114 174.666 175.800 -0.032 0.000 1.155 218 F CA -0.933 57.061 58.000 -0.009 0.000 0.967 218 F CB 1.575 40.571 39.000 -0.008 0.000 1.236 218 F HN 0.071 nan 8.300 nan 0.000 0.455 219 R N 5.097 125.224 120.500 -0.622 0.000 2.288 219 R HA 0.276 4.601 4.340 -0.025 0.000 0.326 219 R C -0.846 174.654 176.300 -1.335 0.000 0.959 219 R CA -0.636 55.029 56.100 -0.725 0.000 0.834 219 R CB 1.686 31.761 30.300 -0.376 0.000 1.157 219 R HN 0.813 nan 8.270 nan 0.000 0.470 220 Q N 3.107 122.172 119.800 -1.225 0.000 2.257 220 Q HA 0.298 4.623 4.340 -0.025 0.000 0.255 220 Q C -1.224 174.572 176.000 -0.339 0.000 0.920 220 Q CA -0.408 54.876 55.803 -0.866 0.000 0.927 220 Q CB 0.895 29.376 28.738 -0.429 0.000 1.229 220 Q HN 0.565 nan 8.270 nan 0.000 0.433 221 Y N 2.466 122.947 120.300 0.301 0.000 2.363 221 Y HA 0.177 4.712 4.550 -0.025 0.000 0.325 221 Y C -0.628 175.518 175.900 0.410 0.000 0.984 221 Y CA -1.164 57.243 58.100 0.513 0.000 1.248 221 Y CB 1.087 39.847 38.460 0.501 0.000 1.116 221 Y HN 0.705 nan 8.280 nan 0.000 0.470 222 H N 3.582 123.075 119.070 0.704 0.000 2.944 222 H HA 0.422 4.963 4.556 -0.024 0.000 0.278 222 H C 0.525 176.166 175.328 0.521 0.000 1.083 222 H CA 0.339 56.731 56.048 0.574 0.000 1.479 222 H CB 0.423 30.595 29.762 0.683 0.000 1.486 222 H HN 0.899 nan 8.280 nan 0.000 0.493 223 A N 5.845 128.459 122.820 -0.344 0.000 2.466 223 A HA -0.156 4.149 4.320 -0.025 0.000 0.295 223 A C -1.393 175.887 177.584 -0.506 0.000 1.465 223 A CA 0.383 52.197 52.037 -0.373 0.000 0.744 223 A CB -1.305 17.375 19.000 -0.532 0.000 1.098 223 A HN 0.783 nan 8.150 nan 0.000 0.402 224 P HA -0.073 nan 4.420 nan 0.000 0.222 224 P C 0.878 177.309 177.300 -1.447 0.000 1.147 224 P CA 1.299 62.947 63.100 -2.420 0.000 0.790 224 P CB -0.144 29.956 31.700 -2.667 0.000 0.780 225 F N -3.777 115.964 119.950 -0.348 0.000 2.724 225 F HA 0.177 4.690 4.527 -0.023 0.000 0.306 225 F C 2.433 178.205 175.800 -0.046 0.000 1.100 225 F CA -0.684 57.228 58.000 -0.146 0.000 1.255 225 F CB -0.765 38.179 39.000 -0.094 0.000 1.072 225 F HN -0.227 nan 8.300 nan 0.000 0.589 226 Y N 1.943 122.217 120.300 -0.043 0.000 2.030 226 Y HA -0.218 4.318 4.550 -0.024 0.000 0.274 226 Y C 2.469 178.354 175.900 -0.026 0.000 1.153 226 Y CA 1.891 59.967 58.100 -0.039 0.000 1.115 226 Y CB -0.939 37.457 38.460 -0.107 0.000 0.969 226 Y HN 0.046 nan 8.280 nan 0.000 0.488 227 G N -0.194 108.564 108.800 -0.069 0.000 2.462 227 G HA2 -0.323 3.622 3.960 -0.025 0.000 0.220 227 G HA3 -0.323 3.622 3.960 -0.025 0.000 0.220 227 G C 1.670 176.430 174.900 -0.233 0.000 1.121 227 G CA 1.044 46.005 45.100 -0.230 0.000 0.758 227 G HN 0.489 nan 8.290 nan 0.000 0.559 228 K N 0.430 120.775 120.400 -0.092 0.000 2.361 228 K HA 0.006 4.311 4.320 -0.025 0.000 0.196 228 K C 2.034 178.600 176.600 -0.058 0.000 1.039 228 K CA 1.599 57.859 56.287 -0.047 0.000 1.001 228 K CB 0.045 32.570 32.500 0.041 0.000 0.795 228 K HN 0.395 nan 8.250 nan 0.000 0.495 229 T N -3.480 111.021 114.554 -0.089 0.000 2.954 229 T HA 0.068 4.404 4.350 -0.025 0.000 0.252 229 T C 0.845 175.477 174.700 -0.114 0.000 0.983 229 T CA -0.191 61.867 62.100 -0.070 0.000 0.941 229 T CB 0.159 69.017 68.868 -0.015 0.000 1.141 229 T HN -0.022 nan 8.240 nan 0.000 0.500 230 T N 2.269 116.679 114.554 -0.239 0.000 2.898 230 T HA 0.285 4.620 4.350 -0.025 0.000 0.301 230 T C -0.223 174.379 174.700 -0.164 0.000 1.049 230 T CA -0.304 61.649 62.100 -0.245 0.000 1.095 230 T CB 0.315 68.859 68.868 -0.540 0.000 0.976 230 T HN 0.269 nan 8.240 nan 0.000 0.539 231 K N 3.432 123.807 120.400 -0.042 0.000 2.379 231 K HA 0.207 4.512 4.320 -0.025 0.000 0.284 231 K C 0.241 176.916 176.600 0.125 0.000 1.044 231 K CA -0.339 55.977 56.287 0.048 0.000 0.974 231 K CB 0.527 33.077 32.500 0.084 0.000 0.962 231 K HN 0.407 nan 8.250 nan 0.000 0.474 232 R N 1.660 122.237 120.500 0.129 0.000 2.615 232 R HA 0.103 4.428 4.340 -0.025 0.000 0.270 232 R C 0.708 177.290 176.300 0.470 0.000 1.081 232 R CA 0.003 56.232 56.100 0.214 0.000 1.154 232 R CB 0.089 30.510 30.300 0.202 0.000 1.063 232 R HN 0.494 nan 8.270 nan 0.000 0.519 233 F N -0.226 119.813 119.950 0.149 0.000 2.148 233 F HA 0.246 4.759 4.527 -0.024 0.000 0.285 233 F C 1.643 177.647 175.800 0.340 0.000 1.092 233 F CA 1.358 59.486 58.000 0.212 0.000 1.218 233 F CB -0.354 38.712 39.000 0.110 0.000 1.059 233 F HN 0.592 nan 8.300 nan 0.000 0.490 234 A N -1.004 122.104 122.820 0.480 0.000 2.600 234 A HA 0.253 4.559 4.320 -0.025 0.000 0.252 234 A C 0.438 178.194 177.584 0.287 0.000 1.200 234 A CA 0.131 52.408 52.037 0.401 0.000 0.981 234 A CB -1.077 18.158 19.000 0.392 0.000 1.207 234 A HN 0.199 nan 8.150 nan 0.000 0.577 235 T N -0.817 113.920 114.554 0.305 0.000 2.900 235 T HA 0.294 4.630 4.350 -0.025 0.000 0.307 235 T C 0.309 175.152 174.700 0.237 0.000 1.065 235 T CA -0.034 62.239 62.100 0.288 0.000 1.105 235 T CB 0.859 69.969 68.868 0.403 0.000 0.979 235 T HN 0.187 nan 8.240 nan 0.000 0.544 236 Q N 0.406 120.320 119.800 0.190 0.000 2.159 236 Q HA 0.276 4.601 4.340 -0.025 0.000 0.217 236 Q C 0.210 176.254 176.000 0.073 0.000 0.818 236 Q CA -0.200 55.673 55.803 0.117 0.000 1.008 236 Q CB 0.519 29.306 28.738 0.083 0.000 1.148 236 Q HN 0.941 nan 8.270 nan 0.000 0.491 237 S N -1.234 114.501 115.700 0.058 0.000 2.615 237 S HA 0.442 4.897 4.470 -0.025 0.000 0.268 237 S C -0.943 173.579 174.600 -0.131 0.000 1.146 237 S CA -0.926 57.241 58.200 -0.055 0.000 0.818 237 S CB 1.964 65.059 63.200 -0.175 0.000 1.111 237 S HN -0.115 nan 8.310 nan 0.000 0.465 238 E N 1.445 121.599 120.200 -0.076 0.000 2.331 238 E HA 0.391 4.726 4.350 -0.025 0.000 0.272 238 E C -0.571 175.685 176.600 -0.574 0.000 1.036 238 E CA -0.126 56.218 56.400 -0.093 0.000 0.864 238 E CB 0.479 30.235 29.700 0.092 0.000 1.035 238 E HN 0.634 nan 8.360 nan 0.000 0.408 239 H N 2.189 120.726 119.070 -0.889 0.000 2.524 239 H HA 0.428 4.970 4.556 -0.024 0.000 0.353 239 H C -0.580 174.314 175.328 -0.724 0.000 1.136 239 H CA -0.443 55.194 56.048 -0.686 0.000 1.193 239 H CB 0.950 30.200 29.762 -0.854 0.000 1.558 239 H HN 0.270 nan 8.280 nan 0.000 0.515 240 F N 1.191 121.235 119.950 0.157 0.000 2.599 240 F HA 0.441 4.953 4.527 -0.025 0.000 0.311 240 F C -0.284 175.624 175.800 0.180 0.000 1.076 240 F CA -0.786 57.295 58.000 0.136 0.000 0.937 240 F CB 1.648 40.647 39.000 -0.003 0.000 1.282 240 F HN 0.151 nan 8.300 nan 0.000 0.460 241 L N 1.347 122.762 121.223 0.320 0.000 2.303 241 L HA 0.852 5.177 4.340 -0.025 0.000 0.266 241 L C 0.115 177.113 176.870 0.212 0.000 1.011 241 L CA -1.316 53.683 54.840 0.265 0.000 0.818 241 L CB 1.742 43.891 42.059 0.151 0.000 1.326 241 L HN 0.808 nan 8.230 nan 0.000 0.435 242 A N 0.071 123.012 122.820 0.201 0.000 2.386 242 A HA 0.193 4.498 4.320 -0.025 0.000 0.246 242 A C -0.560 176.959 177.584 -0.108 0.000 1.089 242 A CA -0.414 51.671 52.037 0.081 0.000 0.790 242 A CB 0.007 19.067 19.000 0.100 0.000 1.042 242 A HN 0.680 nan 8.150 nan 0.000 0.497 243 D N 1.769 122.056 120.400 -0.188 0.000 2.424 243 D HA 0.298 4.923 4.640 -0.025 0.000 0.244 243 D C -2.124 173.712 176.300 -0.774 0.000 1.134 243 D CA -0.645 53.111 54.000 -0.407 0.000 0.881 243 D CB 0.514 41.188 40.800 -0.210 0.000 1.191 243 D HN 0.284 nan 8.370 nan 0.000 0.445 244 P HA 0.188 nan 4.420 nan 0.000 0.274 244 P C -2.653 173.890 177.300 -1.261 0.000 1.231 244 P CA -1.532 60.529 63.100 -1.730 0.000 0.790 244 P CB -0.057 30.148 31.700 -2.492 0.000 0.951 245 P HA 0.010 nan 4.420 nan 0.000 0.261 245 P C 1.089 177.934 177.300 -0.758 0.000 1.183 245 P CA 1.718 64.338 63.100 -0.800 0.000 0.761 245 P CB -0.322 30.976 31.700 -0.669 0.000 0.785 246 G N 2.265 110.660 108.800 -0.675 0.000 2.232 246 G HA2 -0.184 3.761 3.960 -0.025 0.000 0.226 246 G HA3 -0.184 3.761 3.960 -0.025 0.000 0.226 246 G C -0.202 174.116 174.900 -0.971 0.000 0.996 246 G CA -0.457 44.028 45.100 -1.024 0.000 0.626 246 G HN 0.453 nan 8.290 nan 0.000 0.509 247 L N 0.402 121.218 121.223 -0.678 0.000 2.334 247 L HA 0.692 5.017 4.340 -0.025 0.000 0.273 247 L C 1.613 178.319 176.870 -0.273 0.000 1.013 247 L CA -0.904 53.681 54.840 -0.425 0.000 0.816 247 L CB 1.572 43.458 42.059 -0.288 0.000 1.278 247 L HN 0.398 nan 8.230 nan 0.000 0.431 248 R N 0.606 121.008 120.500 -0.163 0.000 3.731 248 R HA -0.333 3.993 4.340 -0.025 0.000 0.488 248 R C 1.649 177.882 176.300 -0.111 0.000 0.241 248 R CA 2.019 58.059 56.100 -0.100 0.000 1.531 248 R CB -1.555 28.720 30.300 -0.040 0.000 0.923 248 R HN 0.857 nan 8.270 nan 0.000 0.596 249 S N 0.653 116.296 115.700 -0.094 0.000 2.474 249 S HA -0.010 4.445 4.470 -0.025 0.000 0.235 249 S C 0.982 175.513 174.600 -0.116 0.000 0.997 249 S CA 1.334 59.483 58.200 -0.084 0.000 0.949 249 S CB -0.036 63.133 63.200 -0.052 0.000 0.766 249 S HN 0.435 nan 8.310 nan 0.000 0.517 250 N N 0.928 119.519 118.700 -0.182 0.000 2.275 250 N HA 0.424 5.149 4.740 -0.025 0.000 0.236 250 N C 1.111 176.463 175.510 -0.263 0.000 1.154 250 N CA 0.609 53.524 53.050 -0.224 0.000 0.866 250 N CB 0.643 38.952 38.487 -0.296 0.000 1.093 250 N HN 0.514 nan 8.380 nan 0.000 0.515 251 A N 0.983 123.663 122.820 -0.233 0.000 2.070 251 A HA -0.152 4.153 4.320 -0.025 0.000 0.220 251 A C 1.562 179.049 177.584 -0.163 0.000 1.159 251 A CA 1.338 53.229 52.037 -0.243 0.000 0.656 251 A CB -0.127 18.763 19.000 -0.183 0.000 0.800 251 A HN 0.274 nan 8.150 nan 0.000 0.453 252 D N -0.081 120.247 120.400 -0.120 0.000 2.340 252 D HA -0.033 4.592 4.640 -0.025 0.000 0.220 252 D C 0.259 176.523 176.300 -0.059 0.000 1.039 252 D CA 0.168 54.124 54.000 -0.073 0.000 0.866 252 D CB -0.517 40.250 40.800 -0.054 0.000 0.913 252 D HN 0.520 nan 8.370 nan 0.000 0.523 253 E N 0.627 120.773 120.200 -0.090 0.000 2.392 253 E HA 0.025 4.360 4.350 -0.025 0.000 0.307 253 E C 0.728 177.333 176.600 0.008 0.000 1.505 253 E CA -0.168 56.197 56.400 -0.057 0.000 1.716 253 E CB 0.251 29.883 29.700 -0.113 0.000 1.450 253 E HN 0.095 nan 8.360 nan 0.000 0.484 254 T N 0.399 114.971 114.554 0.030 0.000 2.708 254 T HA -0.179 4.156 4.350 -0.025 0.000 0.266 254 T C 1.895 176.669 174.700 0.123 0.000 1.037 254 T CA 1.586 63.740 62.100 0.090 0.000 1.146 254 T CB 0.101 69.000 68.868 0.051 0.000 0.865 254 T HN 0.415 nan 8.240 nan 0.000 0.435 255 A N 0.942 123.810 122.820 0.080 0.000 1.933 255 A HA -0.063 4.242 4.320 -0.025 0.000 0.218 255 A C 2.108 179.753 177.584 0.101 0.000 1.175 255 A CA 2.250 54.334 52.037 0.079 0.000 0.628 255 A CB -0.746 18.279 19.000 0.042 0.000 0.814 255 A HN 0.641 nan 8.150 nan 0.000 0.444 256 E N -0.990 119.275 120.200 0.108 0.000 2.051 256 E HA -0.230 4.105 4.350 -0.025 0.000 0.192 256 E C 1.816 178.530 176.600 0.189 0.000 0.991 256 E CA 1.774 58.263 56.400 0.149 0.000 0.799 256 E CB -0.671 29.094 29.700 0.108 0.000 0.748 256 E HN 0.597 nan 8.360 nan 0.000 0.449 257 Y N 1.439 121.793 120.300 0.090 0.000 2.097 257 Y HA -0.203 4.332 4.550 -0.024 0.000 0.282 257 Y C 1.694 177.710 175.900 0.194 0.000 1.152 257 Y CA 2.425 60.611 58.100 0.143 0.000 1.136 257 Y CB -0.535 37.973 38.460 0.080 0.000 0.975 257 Y HN 0.121 nan 8.280 nan 0.000 0.498 258 D N -0.304 120.123 120.400 0.046 0.000 2.144 258 D HA -0.170 4.456 4.640 -0.025 0.000 0.199 258 D C 1.786 178.115 176.300 0.048 0.000 0.984 258 D CA 1.750 55.776 54.000 0.043 0.000 0.834 258 D CB -0.494 40.394 40.800 0.147 0.000 0.955 258 D HN 0.456 nan 8.370 nan 0.000 0.465 259 D N -0.176 120.267 120.400 0.072 0.000 2.149 259 D HA -0.007 4.618 4.640 -0.025 0.000 0.201 259 D C 1.934 178.278 176.300 0.072 0.000 0.972 259 D CA 1.193 55.242 54.000 0.082 0.000 0.835 259 D CB -0.061 40.813 40.800 0.122 0.000 0.966 259 D HN 0.086 nan 8.370 nan 0.000 0.476 260 A N -0.224 122.645 122.820 0.081 0.000 1.978 260 A HA -0.128 4.177 4.320 -0.025 0.000 0.220 260 A C 2.385 180.039 177.584 0.116 0.000 1.170 260 A CA 1.416 53.522 52.037 0.115 0.000 0.636 260 A CB -0.647 18.479 19.000 0.210 0.000 0.810 260 A HN 0.217 nan 8.150 nan 0.000 0.448 261 V N -0.469 119.459 119.914 0.022 0.000 2.323 261 V HA -0.219 3.886 4.120 -0.025 0.000 0.244 261 V C 2.584 178.608 176.094 -0.116 0.000 1.041 261 V CA 2.090 64.388 62.300 -0.002 0.000 1.025 261 V CB -0.760 31.044 31.823 -0.030 0.000 0.656 261 V HN 0.525 nan 8.190 nan 0.000 0.451 262 R N -0.290 120.174 120.500 -0.059 0.000 2.080 262 R HA -0.159 4.166 4.340 -0.025 0.000 0.236 262 R C 2.281 178.531 176.300 -0.082 0.000 1.137 262 R CA 1.824 57.880 56.100 -0.073 0.000 0.943 262 R CB -0.686 29.601 30.300 -0.021 0.000 0.846 262 R HN 0.379 nan 8.270 nan 0.000 0.431 263 V N 0.937 120.829 119.914 -0.037 0.000 2.287 263 V HA -0.289 3.816 4.120 -0.025 0.000 0.248 263 V C 2.435 178.500 176.094 -0.048 0.000 1.053 263 V CA 1.992 64.281 62.300 -0.019 0.000 1.027 263 V CB -0.822 31.002 31.823 0.002 0.000 0.646 263 V HN 0.485 nan 8.190 nan 0.000 0.447 264 A N 0.007 122.755 122.820 -0.120 0.000 1.892 264 A HA -0.240 4.065 4.320 -0.025 0.000 0.218 264 A C 2.176 179.615 177.584 -0.242 0.000 1.188 264 A CA 2.333 54.240 52.037 -0.216 0.000 0.631 264 A CB -0.602 18.136 19.000 -0.438 0.000 0.822 264 A HN 0.532 nan 8.150 nan 0.000 0.447 265 I N -0.540 119.746 120.570 -0.473 0.000 2.179 265 I HA -0.260 3.895 4.170 -0.025 0.000 0.242 265 I C 2.961 179.093 176.117 0.024 0.000 1.088 265 I CA 1.175 62.166 61.300 -0.514 0.000 1.357 265 I CB -0.402 37.221 38.000 -0.628 0.000 1.051 265 I HN 0.361 nan 8.210 nan 0.000 0.409 266 A N 0.378 123.200 122.820 0.005 0.000 1.930 266 A HA -0.119 4.187 4.320 -0.025 0.000 0.217 266 A C 2.200 179.872 177.584 0.147 0.000 1.175 266 A CA 1.338 53.423 52.037 0.080 0.000 0.627 266 A CB -0.214 18.816 19.000 0.049 0.000 0.815 266 A HN 0.308 nan 8.150 nan 0.000 0.443 267 M N -1.516 118.185 119.600 0.168 0.000 2.492 267 M HA 0.158 4.623 4.480 -0.025 0.000 0.255 267 M C 1.683 178.152 176.300 0.282 0.000 1.139 267 M CA 1.064 56.520 55.300 0.260 0.000 1.096 267 M CB -0.664 32.117 32.600 0.303 0.000 1.360 267 M HN 0.418 nan 8.290 nan 0.000 0.480 268 G N -0.208 108.756 108.800 0.272 0.000 3.596 268 G HA2 0.419 4.364 3.960 -0.025 0.000 0.274 268 G HA3 0.419 4.364 3.960 -0.025 0.000 0.274 268 G C 0.619 175.639 174.900 0.200 0.000 1.007 268 G CA -0.046 45.197 45.100 0.238 0.000 0.825 268 G HN 0.477 nan 8.290 nan 0.000 0.508 269 G N 0.144 109.136 108.800 0.320 0.000 2.634 269 G HA2 0.523 4.468 3.960 -0.025 0.000 0.255 269 G HA3 0.523 4.468 3.960 -0.025 0.000 0.255 269 G C 0.480 175.317 174.900 -0.106 0.000 1.205 269 G CA 0.247 45.394 45.100 0.078 0.000 0.884 269 G HN 0.563 nan 8.290 nan 0.000 0.549 270 A N -0.395 122.285 122.820 -0.233 0.000 2.445 270 A HA 0.254 4.559 4.320 -0.025 0.000 0.242 270 A C 1.531 179.073 177.584 -0.070 0.000 1.075 270 A CA 0.556 52.494 52.037 -0.165 0.000 0.777 270 A CB 0.343 19.227 19.000 -0.193 0.000 1.013 270 A HN 0.916 nan 8.150 nan 0.000 0.493 271 Q N 1.820 121.586 119.800 -0.057 0.000 2.103 271 Q HA -0.296 4.029 4.340 -0.025 0.000 0.213 271 Q C 1.753 177.744 176.000 -0.014 0.000 1.008 271 Q CA 2.734 58.519 55.803 -0.030 0.000 0.879 271 Q CB -0.298 28.421 28.738 -0.033 0.000 0.946 271 Q HN 0.939 nan 8.270 nan 0.000 0.413 272 A N 0.059 122.867 122.820 -0.020 0.000 2.238 272 A HA 0.186 4.491 4.320 -0.025 0.000 0.208 272 A C 0.628 178.214 177.584 0.004 0.000 1.177 272 A CA -0.112 51.920 52.037 -0.009 0.000 0.804 272 A CB -0.152 18.838 19.000 -0.016 0.000 0.823 272 A HN 0.349 nan 8.150 nan 0.000 0.482 273 L N 0.550 121.781 121.223 0.012 0.000 2.380 273 L HA 0.102 4.427 4.340 -0.025 0.000 0.273 273 L C 0.873 177.777 176.870 0.057 0.000 1.138 273 L CA -0.763 54.103 54.840 0.043 0.000 0.832 273 L CB 0.290 42.394 42.059 0.075 0.000 1.124 273 L HN 0.251 nan 8.230 nan 0.000 0.454 274 N N 0.961 119.694 118.700 0.055 0.000 2.289 274 N HA -0.142 4.583 4.740 -0.025 0.000 0.184 274 N C 1.676 177.221 175.510 0.059 0.000 1.016 274 N CA 1.512 54.591 53.050 0.048 0.000 0.872 274 N CB -0.000 38.510 38.487 0.038 0.000 0.973 274 N HN 0.705 nan 8.380 nan 0.000 0.433 275 S N -1.007 114.745 115.700 0.086 0.000 2.562 275 S HA 0.045 4.501 4.470 -0.025 0.000 0.221 275 S C 0.808 175.474 174.600 0.110 0.000 0.975 275 S CA -0.015 58.239 58.200 0.090 0.000 0.918 275 S CB -0.237 63.028 63.200 0.110 0.000 0.772 275 S HN -0.003 nan 8.310 nan 0.000 0.531 276 T N 3.661 118.286 114.554 0.119 0.000 2.737 276 T HA 0.282 4.617 4.350 -0.025 0.000 0.296 276 T C 0.596 175.346 174.700 0.083 0.000 0.922 276 T CA -0.430 61.742 62.100 0.119 0.000 1.079 276 T CB 0.806 69.733 68.868 0.099 0.000 0.892 276 T HN 0.138 nan 8.240 nan 0.000 0.514 277 K N 2.003 122.456 120.400 0.089 0.000 2.358 277 K HA 0.131 4.436 4.320 -0.025 0.000 0.200 277 K C 0.941 177.587 176.600 0.077 0.000 1.030 277 K CA -0.225 56.107 56.287 0.074 0.000 1.097 277 K CB 0.382 32.925 32.500 0.072 0.000 0.862 277 K HN 0.441 nan 8.250 nan 0.000 0.534 278 R N 2.270 122.821 120.500 0.084 0.000 2.679 278 R HA 0.026 4.352 4.340 -0.025 0.000 0.268 278 R C 0.135 176.434 176.300 -0.002 0.000 1.044 278 R CA 0.328 56.458 56.100 0.048 0.000 1.105 278 R CB 0.534 30.865 30.300 0.051 0.000 0.989 278 R HN 0.111 nan 8.270 nan 0.000 0.447 279 S N 3.408 119.079 115.700 -0.047 0.000 2.672 279 S HA 0.309 4.764 4.470 -0.025 0.000 0.276 279 S C -1.946 172.628 174.600 -0.042 0.000 1.207 279 S CA -1.379 56.810 58.200 -0.018 0.000 1.002 279 S CB 1.817 65.031 63.200 0.023 0.000 0.998 279 S HN 0.503 nan 8.310 nan 0.000 0.542 280 P HA -0.106 nan 4.420 nan 0.000 0.215 280 P C 1.285 178.603 177.300 0.030 0.000 1.153 280 P CA 1.132 64.244 63.100 0.021 0.000 0.853 280 P CB -0.114 31.622 31.700 0.060 0.000 0.788 281 W N 0.792 122.029 121.300 -0.105 0.000 2.358 281 W HA -0.195 4.450 4.660 -0.025 0.000 0.303 281 W C 1.733 178.134 176.519 -0.196 0.000 1.208 281 W CA 1.415 58.689 57.345 -0.117 0.000 1.274 281 W CB -0.408 28.994 29.460 -0.098 0.000 1.138 281 W HN 0.040 nan 8.180 nan 0.000 0.515 282 Q N -0.475 119.088 119.800 -0.395 0.000 2.226 282 Q HA -0.160 4.166 4.340 -0.025 0.000 0.204 282 Q C 2.017 177.604 176.000 -0.689 0.000 0.975 282 Q CA 2.098 57.360 55.803 -0.901 0.000 0.866 282 Q CB -0.438 27.608 28.738 -1.152 0.000 0.915 282 Q HN 0.144 nan 8.270 nan 0.000 0.440 283 T N 0.731 115.068 114.554 -0.362 0.000 2.821 283 T HA -0.111 4.224 4.350 -0.025 0.000 0.267 283 T C 1.908 176.489 174.700 -0.198 0.000 1.046 283 T CA 1.081 63.063 62.100 -0.196 0.000 1.139 283 T CB -0.185 68.616 68.868 -0.111 0.000 0.871 283 T HN 0.392 nan 8.240 nan 0.000 0.454 284 A N 1.668 124.299 122.820 -0.316 0.000 1.877 284 A HA -0.175 4.130 4.320 -0.025 0.000 0.216 284 A C 2.261 179.653 177.584 -0.320 0.000 1.186 284 A CA 1.516 53.341 52.037 -0.353 0.000 0.620 284 A CB -0.691 17.956 19.000 -0.589 0.000 0.822 284 A HN 0.550 nan 8.150 nan 0.000 0.443 285 Q N -0.686 118.827 119.800 -0.478 0.000 2.181 285 Q HA -0.113 4.212 4.340 -0.025 0.000 0.205 285 Q C 2.100 178.261 176.000 0.269 0.000 0.980 285 Q CA 1.151 56.883 55.803 -0.119 0.000 0.862 285 Q CB -0.399 28.258 28.738 -0.135 0.000 0.905 285 Q HN 0.695 nan 8.270 nan 0.000 0.429 286 G N 0.727 109.643 108.800 0.194 0.000 2.394 286 G HA2 -0.158 3.788 3.960 -0.025 0.000 0.214 286 G HA3 -0.158 3.788 3.960 -0.025 0.000 0.214 286 G C 1.362 176.365 174.900 0.172 0.000 1.176 286 G CA 0.269 45.513 45.100 0.240 0.000 0.786 286 G HN 0.166 nan 8.290 nan 0.000 0.533 287 L N -1.012 120.259 121.223 0.080 0.000 2.240 287 L HA 0.075 4.400 4.340 -0.025 0.000 0.211 287 L C 2.496 179.383 176.870 0.028 0.000 1.106 287 L CA 0.441 55.295 54.840 0.023 0.000 0.793 287 L CB -0.372 41.664 42.059 -0.037 0.000 0.927 287 L HN 0.238 nan 8.230 nan 0.000 0.446 288 Y N -0.011 120.247 120.300 -0.070 0.000 2.151 288 Y HA -0.281 4.254 4.550 -0.026 0.000 0.284 288 Y C 1.648 177.408 175.900 -0.232 0.000 1.166 288 Y CA 1.755 59.737 58.100 -0.196 0.000 1.163 288 Y CB -0.227 38.085 38.460 -0.245 0.000 0.974 288 Y HN 0.104 nan 8.280 nan 0.000 0.511 289 W N -0.774 120.693 121.300 0.277 0.000 3.353 289 W HA 0.346 4.990 4.660 -0.027 0.000 0.304 289 W C 2.037 178.761 176.519 0.342 0.000 1.273 289 W CA 0.309 57.864 57.345 0.349 0.000 1.773 289 W CB -0.449 29.277 29.460 0.444 0.000 1.095 289 W HN 0.102 nan 8.180 nan 0.000 0.676 290 A N 0.039 123.065 122.820 0.343 0.000 1.827 290 A HA -0.229 4.076 4.320 -0.025 0.000 0.215 290 A C 0.478 178.300 177.584 0.397 0.000 1.212 290 A CA 1.261 53.465 52.037 0.279 0.000 0.624 290 A CB -1.399 17.627 19.000 0.043 0.000 0.853 290 A HN 0.356 nan 8.150 nan 0.000 0.450 291 Y N 0.515 120.777 120.300 -0.063 0.000 3.037 291 Y HA -0.166 4.370 4.550 -0.024 0.000 0.204 291 Y C -0.324 175.567 175.900 -0.014 0.000 1.275 291 Y CA 0.641 58.672 58.100 -0.115 0.000 1.066 291 Y CB -1.885 36.459 38.460 -0.193 0.000 1.305 291 Y HN 0.427 nan 8.280 nan 0.000 0.499 292 D N 1.063 121.529 120.400 0.111 0.000 3.085 292 D HA 0.282 4.907 4.640 -0.025 0.000 0.243 292 D C 1.425 177.845 176.300 0.200 0.000 1.232 292 D CA 1.044 55.163 54.000 0.198 0.000 0.913 292 D CB -0.279 40.613 40.800 0.153 0.000 1.108 292 D HN 0.743 nan 8.370 nan 0.000 0.468 293 G N 0.949 109.760 108.800 0.018 0.000 2.198 293 G HA2 -0.283 3.662 3.960 -0.025 0.000 0.260 293 G HA3 -0.283 3.662 3.960 -0.025 0.000 0.260 293 G C 0.493 175.394 174.900 0.002 0.000 1.025 293 G CA 0.151 45.222 45.100 -0.048 0.000 0.769 293 G HN 0.355 nan 8.290 nan 0.000 0.507 294 S N 0.170 115.830 115.700 -0.067 0.000 2.617 294 S HA 0.433 4.889 4.470 -0.025 0.000 0.269 294 S C 0.687 175.195 174.600 -0.153 0.000 1.292 294 S CA -0.779 57.361 58.200 -0.100 0.000 1.010 294 S CB 0.600 63.717 63.200 -0.139 0.000 0.944 294 S HN 0.438 nan 8.310 nan 0.000 0.536 295 N N 1.638 120.209 118.700 -0.216 0.000 2.357 295 N HA 0.031 4.756 4.740 -0.025 0.000 0.257 295 N C 0.759 176.079 175.510 -0.317 0.000 1.250 295 N CA 0.347 53.196 53.050 -0.334 0.000 0.862 295 N CB -0.283 37.803 38.487 -0.669 0.000 1.066 295 N HN 0.670 nan 8.380 nan 0.000 0.468 296 L N 0.357 121.434 121.223 -0.243 0.000 4.625 296 L HA -0.312 4.013 4.340 -0.025 0.000 0.428 296 L C 0.699 177.453 176.870 -0.194 0.000 1.129 296 L CA 0.661 55.390 54.840 -0.186 0.000 0.978 296 L CB -1.512 40.432 42.059 -0.191 0.000 2.043 296 L HN 0.610 nan 8.230 nan 0.000 0.847 297 I N -2.272 118.162 120.570 -0.227 0.000 4.046 297 I HA 0.380 4.535 4.170 -0.025 0.000 0.285 297 I C 1.571 177.553 176.117 -0.224 0.000 1.183 297 I CA 0.645 61.751 61.300 -0.323 0.000 1.337 297 I CB 0.757 38.447 38.000 -0.516 0.000 1.478 297 I HN 0.402 nan 8.210 nan 0.000 0.452 298 G N 1.577 110.251 108.800 -0.210 0.000 2.527 298 G HA2 -0.212 3.733 3.960 -0.025 0.000 0.227 298 G HA3 -0.212 3.733 3.960 -0.025 0.000 0.227 298 G C 0.020 174.719 174.900 -0.335 0.000 1.291 298 G CA -0.123 44.791 45.100 -0.309 0.000 0.904 298 G HN 0.408 nan 8.290 nan 0.000 0.577 299 T N -1.521 112.815 114.554 -0.363 0.000 2.948 299 T HA 0.709 5.044 4.350 -0.025 0.000 0.285 299 T C -1.315 173.288 174.700 -0.161 0.000 1.019 299 T CA -0.754 61.205 62.100 -0.235 0.000 1.013 299 T CB 2.228 70.910 68.868 -0.311 0.000 1.117 299 T HN 0.346 nan 8.240 nan 0.000 0.533 300 P HA -0.059 nan 4.420 nan 0.000 0.216 300 P C -1.550 175.260 177.300 -0.816 0.000 1.157 300 P CA 1.476 64.222 63.100 -0.591 0.000 0.880 300 P CB -1.213 30.136 31.700 -0.585 0.000 0.791 301 P HA -0.174 nan 4.420 nan 0.000 0.218 301 P C 1.518 178.674 177.300 -0.240 0.000 1.146 301 P CA 1.489 64.390 63.100 -0.333 0.000 0.813 301 P CB -0.316 31.171 31.700 -0.354 0.000 0.778 302 R N -1.515 118.845 120.500 -0.233 0.000 2.075 302 R HA -0.144 4.181 4.340 -0.025 0.000 0.232 302 R C 2.077 178.276 176.300 -0.168 0.000 1.126 302 R CA 1.321 57.347 56.100 -0.122 0.000 0.963 302 R CB -0.978 29.309 30.300 -0.022 0.000 0.858 302 R HN 0.039 nan 8.270 nan 0.000 0.435 303 F N 0.601 120.118 119.950 -0.721 0.000 2.146 303 F HA -0.086 4.428 4.527 -0.022 0.000 0.298 303 F C 1.382 176.929 175.800 -0.422 0.000 1.096 303 F CA 0.999 58.462 58.000 -0.894 0.000 1.275 303 F CB -0.721 37.278 39.000 -1.668 0.000 1.008 303 F HN 0.047 nan 8.300 nan 0.000 0.480 304 Y N 0.289 120.435 120.300 -0.256 0.000 2.165 304 Y HA -0.304 4.231 4.550 -0.024 0.000 0.286 304 Y C 2.592 178.358 175.900 -0.223 0.000 1.155 304 Y CA 1.443 59.379 58.100 -0.273 0.000 1.164 304 Y CB -0.747 37.525 38.460 -0.314 0.000 0.978 304 Y HN 0.108 nan 8.280 nan 0.000 0.513 305 N N 0.094 118.787 118.700 -0.011 0.000 2.142 305 N HA -0.185 4.540 4.740 -0.025 0.000 0.186 305 N C 1.706 177.282 175.510 0.111 0.000 1.023 305 N CA 1.194 54.295 53.050 0.085 0.000 0.852 305 N CB -0.250 38.315 38.487 0.130 0.000 0.998 305 N HN 0.569 nan 8.380 nan 0.000 0.424 306 Q N 0.688 120.509 119.800 0.036 0.000 2.096 306 Q HA -0.096 4.229 4.340 -0.025 0.000 0.204 306 Q C 2.133 178.158 176.000 0.042 0.000 0.982 306 Q CA 1.023 56.866 55.803 0.066 0.000 0.850 306 Q CB -0.050 28.752 28.738 0.106 0.000 0.901 306 Q HN 0.441 nan 8.270 nan 0.000 0.422 307 I N -0.196 120.323 120.570 -0.084 0.000 2.202 307 I HA -0.224 3.931 4.170 -0.025 0.000 0.242 307 I C 2.164 178.318 176.117 0.061 0.000 1.091 307 I CA 0.741 62.010 61.300 -0.052 0.000 1.368 307 I CB -0.133 37.798 38.000 -0.115 0.000 1.058 307 I HN 0.018 nan 8.210 nan 0.000 0.410 308 V N 0.881 120.817 119.914 0.038 0.000 2.515 308 V HA -0.232 3.873 4.120 -0.025 0.000 0.250 308 V C 2.489 178.624 176.094 0.068 0.000 1.058 308 V CA 1.670 63.950 62.300 -0.034 0.000 1.064 308 V CB -0.794 30.858 31.823 -0.285 0.000 0.675 308 V HN 0.372 nan 8.190 nan 0.000 0.461 309 R N -0.037 120.619 120.500 0.259 0.000 2.075 309 R HA -0.156 4.169 4.340 -0.025 0.000 0.232 309 R C 2.499 178.890 176.300 0.152 0.000 1.126 309 R CA 1.669 57.948 56.100 0.298 0.000 0.963 309 R CB -0.389 30.089 30.300 0.297 0.000 0.858 309 R HN 0.432 nan 8.270 nan 0.000 0.435 310 R N 1.202 121.841 120.500 0.232 0.000 2.075 310 R HA -0.071 4.254 4.340 -0.025 0.000 0.232 310 R C 2.043 178.383 176.300 0.066 0.000 1.126 310 R CA 1.342 57.581 56.100 0.232 0.000 0.963 310 R CB -0.193 30.225 30.300 0.196 0.000 0.858 310 R HN 0.173 nan 8.270 nan 0.000 0.435 311 I N 0.723 121.334 120.570 0.070 0.000 2.252 311 I HA -0.206 3.949 4.170 -0.025 0.000 0.245 311 I C 2.532 178.693 176.117 0.073 0.000 1.102 311 I CA 1.197 62.541 61.300 0.072 0.000 1.385 311 I CB -0.501 37.574 38.000 0.125 0.000 1.064 311 I HN 0.332 nan 8.210 nan 0.000 0.414 312 A N 0.581 123.454 122.820 0.087 0.000 1.902 312 A HA -0.136 4.169 4.320 -0.025 0.000 0.217 312 A C 2.421 180.083 177.584 0.130 0.000 1.181 312 A CA 1.682 53.828 52.037 0.181 0.000 0.623 312 A CB -0.880 18.102 19.000 -0.030 0.000 0.818 312 A HN 0.245 nan 8.150 nan 0.000 0.443 313 V N -0.373 119.445 119.914 -0.160 0.000 2.453 313 V HA -0.177 3.928 4.120 -0.025 0.000 0.247 313 V C 2.689 178.727 176.094 -0.094 0.000 1.048 313 V CA 2.314 64.496 62.300 -0.196 0.000 1.049 313 V CB -1.132 30.265 31.823 -0.710 0.000 0.672 313 V HN 0.598 nan 8.190 nan 0.000 0.457 314 T N -0.942 113.495 114.554 -0.195 0.000 2.788 314 T HA -0.156 4.179 4.350 -0.025 0.000 0.268 314 T C 1.179 175.585 174.700 -0.490 0.000 1.044 314 T CA 1.563 63.416 62.100 -0.411 0.000 1.139 314 T CB -0.292 68.148 68.868 -0.713 0.000 0.867 314 T HN 0.590 nan 8.240 nan 0.000 0.454 315 Y N 1.882 122.212 120.300 0.050 0.000 2.720 315 Y HA 0.286 4.821 4.550 -0.025 0.000 0.277 315 Y C 0.747 176.778 175.900 0.218 0.000 1.144 315 Y CA -1.123 57.021 58.100 0.073 0.000 1.221 315 Y CB 0.018 38.395 38.460 -0.139 0.000 1.163 315 Y HN 0.148 nan 8.280 nan 0.000 0.537 316 K N -0.102 120.481 120.400 0.304 0.000 2.168 316 K HA 0.245 4.551 4.320 -0.025 0.000 0.258 316 K C 0.250 176.972 176.600 0.204 0.000 1.010 316 K CA -0.589 55.876 56.287 0.298 0.000 0.929 316 K CB 1.212 33.881 32.500 0.283 0.000 0.998 316 K HN 0.111 nan 8.250 nan 0.000 0.479 317 K N 0.452 120.944 120.400 0.153 0.000 2.167 317 K HA -0.026 4.279 4.320 -0.025 0.000 0.203 317 K C -0.035 176.613 176.600 0.080 0.000 1.052 317 K CA 1.107 57.462 56.287 0.113 0.000 0.956 317 K CB 0.180 32.735 32.500 0.091 0.000 0.735 317 K HN 0.624 nan 8.250 nan 0.000 0.451 318 E N -0.836 119.398 120.200 0.057 0.000 2.256 318 E HA 0.164 4.499 4.350 -0.025 0.000 0.267 318 E C 0.448 177.081 176.600 0.055 0.000 0.892 318 E CA -0.096 56.333 56.400 0.048 0.000 0.775 318 E CB 1.579 31.297 29.700 0.030 0.000 1.207 318 E HN 0.132 nan 8.360 nan 0.000 0.420 319 E N 1.681 121.913 120.200 0.054 0.000 2.204 319 E HA -0.137 4.198 4.350 -0.025 0.000 0.194 319 E C 0.519 177.153 176.600 0.056 0.000 0.989 319 E CA 1.304 57.738 56.400 0.056 0.000 0.824 319 E CB -0.217 29.514 29.700 0.051 0.000 0.756 319 E HN 0.447 nan 8.360 nan 0.000 0.477 320 D N -0.461 119.969 120.400 0.049 0.000 2.336 320 D HA 0.199 4.825 4.640 -0.025 0.000 0.249 320 D C 0.828 177.161 176.300 0.055 0.000 1.213 320 D CA -0.253 53.777 54.000 0.051 0.000 0.870 320 D CB 0.718 41.546 40.800 0.046 0.000 1.076 320 D HN 0.212 nan 8.370 nan 0.000 0.483 321 L N 3.082 124.349 121.223 0.074 0.000 2.313 321 L HA 0.030 4.355 4.340 -0.025 0.000 0.214 321 L C 2.049 178.974 176.870 0.093 0.000 1.119 321 L CA 0.705 55.605 54.840 0.101 0.000 0.809 321 L CB -0.077 42.046 42.059 0.107 0.000 0.933 321 L HN 0.495 nan 8.230 nan 0.000 0.449 322 A N 0.059 122.928 122.820 0.082 0.000 1.887 322 A HA -0.011 4.294 4.320 -0.025 0.000 0.212 322 A C 1.292 178.944 177.584 0.112 0.000 1.198 322 A CA 0.765 52.858 52.037 0.094 0.000 0.628 322 A CB -0.033 19.012 19.000 0.074 0.000 0.847 322 A HN 0.435 nan 8.150 nan 0.000 0.449 323 N N 0.085 118.838 118.700 0.088 0.000 2.467 323 N HA 0.119 4.845 4.740 -0.025 0.000 0.278 323 N C -0.581 174.976 175.510 0.079 0.000 1.306 323 N CA 0.150 53.258 53.050 0.096 0.000 0.905 323 N CB 0.970 39.504 38.487 0.078 0.000 1.236 323 N HN 0.210 nan 8.380 nan 0.000 0.509 324 S N 0.852 116.586 115.700 0.057 0.000 2.448 324 S HA 0.197 4.653 4.470 -0.025 0.000 0.320 324 S C 1.003 175.615 174.600 0.021 0.000 1.071 324 S CA -0.429 57.787 58.200 0.028 0.000 1.113 324 S CB 1.143 64.336 63.200 -0.011 0.000 0.972 324 S HN 0.012 nan 8.310 nan 0.000 0.465 325 E N 3.600 123.843 120.200 0.072 0.000 2.150 325 E HA -0.063 4.272 4.350 -0.025 0.000 0.193 325 E C 2.050 178.693 176.600 0.072 0.000 0.985 325 E CA 0.762 57.236 56.400 0.125 0.000 0.814 325 E CB -0.309 29.491 29.700 0.166 0.000 0.752 325 E HN 0.588 nan 8.360 nan 0.000 0.466 326 V N 2.322 122.255 119.914 0.032 0.000 2.295 326 V HA -0.265 3.840 4.120 -0.025 0.000 0.246 326 V C 1.977 178.007 176.094 -0.107 0.000 1.049 326 V CA 1.802 64.110 62.300 0.013 0.000 1.024 326 V CB -0.517 31.318 31.823 0.020 0.000 0.648 326 V HN 0.206 nan 8.190 nan 0.000 0.447 327 N N 0.662 119.227 118.700 -0.225 0.000 2.120 327 N HA -0.125 4.600 4.740 -0.025 0.000 0.188 327 N C 1.670 176.686 175.510 -0.823 0.000 1.024 327 N CA 1.383 54.074 53.050 -0.599 0.000 0.852 327 N CB -0.621 37.570 38.487 -0.494 0.000 1.003 327 N HN 0.475 nan 8.380 nan 0.000 0.424 328 N N 1.215 119.634 118.700 -0.468 0.000 2.069 328 N HA -0.109 4.617 4.740 -0.025 0.000 0.191 328 N C 1.642 176.799 175.510 -0.588 0.000 1.031 328 N CA 1.322 54.057 53.050 -0.525 0.000 0.852 328 N CB -0.529 37.692 38.487 -0.443 0.000 1.018 328 N HN 0.245 nan 8.380 nan 0.000 0.423 329 A N 1.002 123.618 122.820 -0.340 0.000 1.902 329 A HA -0.179 4.126 4.320 -0.025 0.000 0.217 329 A C 2.066 179.769 177.584 0.198 0.000 1.181 329 A CA 1.804 53.832 52.037 -0.015 0.000 0.623 329 A CB -0.715 18.494 19.000 0.348 0.000 0.818 329 A HN 0.236 nan 8.150 nan 0.000 0.443 330 D N -0.799 119.635 120.400 0.056 0.000 2.092 330 D HA -0.162 4.463 4.640 -0.025 0.000 0.193 330 D C 1.659 178.143 176.300 0.307 0.000 0.994 330 D CA 1.474 55.583 54.000 0.181 0.000 0.828 330 D CB -0.310 40.503 40.800 0.020 0.000 0.963 330 D HN 0.319 nan 8.370 nan 0.000 0.450 331 F N 1.074 121.110 119.950 0.144 0.000 2.113 331 F HA 0.097 4.609 4.527 -0.024 0.000 0.297 331 F C 2.608 178.545 175.800 0.228 0.000 1.103 331 F CA 0.708 58.833 58.000 0.207 0.000 1.248 331 F CB -1.503 37.560 39.000 0.105 0.000 0.999 331 F HN 0.003 nan 8.300 nan 0.000 0.475 332 A N 0.033 123.007 122.820 0.255 0.000 1.908 332 A HA -0.236 4.070 4.320 -0.025 0.000 0.218 332 A C 2.323 180.173 177.584 0.443 0.000 1.181 332 A CA 2.067 54.239 52.037 0.225 0.000 0.627 332 A CB -0.664 18.225 19.000 -0.185 0.000 0.818 332 A HN 0.239 nan 8.150 nan 0.000 0.445 333 R N -0.354 120.427 120.500 0.468 0.000 2.057 333 R HA -0.036 4.289 4.340 -0.025 0.000 0.229 333 R C 1.970 178.309 176.300 0.065 0.000 1.136 333 R CA 1.711 58.022 56.100 0.352 0.000 0.952 333 R CB -1.095 29.355 30.300 0.250 0.000 0.848 333 R HN 0.435 nan 8.270 nan 0.000 0.430 334 L N -0.206 120.940 121.223 -0.129 0.000 1.970 334 L HA -0.077 4.249 4.340 -0.025 0.000 0.212 334 L C 1.995 178.626 176.870 -0.399 0.000 1.071 334 L CA 1.916 56.414 54.840 -0.570 0.000 0.751 334 L CB -0.737 40.948 42.059 -0.623 0.000 0.889 334 L HN 0.215 nan 8.230 nan 0.000 0.432 335 F N -0.161 119.666 119.950 -0.206 0.000 2.269 335 F HA -0.148 4.364 4.527 -0.025 0.000 0.301 335 F C 2.424 178.051 175.800 -0.288 0.000 1.082 335 F CA 1.197 58.974 58.000 -0.371 0.000 1.360 335 F CB -0.874 37.724 39.000 -0.671 0.000 1.041 335 F HN 0.248 nan 8.300 nan 0.000 0.512 336 A N -0.031 122.832 122.820 0.072 0.000 1.897 336 A HA -0.072 4.234 4.320 -0.025 0.000 0.215 336 A C 2.215 179.770 177.584 -0.048 0.000 1.181 336 A CA 1.098 53.176 52.037 0.069 0.000 0.620 336 A CB -0.926 18.143 19.000 0.115 0.000 0.821 336 A HN 0.343 nan 8.150 nan 0.000 0.443 337 L N -0.567 120.604 121.223 -0.086 0.000 1.994 337 L HA -0.172 4.153 4.340 -0.025 0.000 0.208 337 L C 2.582 179.394 176.870 -0.096 0.000 1.071 337 L CA 1.284 56.078 54.840 -0.075 0.000 0.745 337 L CB -0.559 41.463 42.059 -0.061 0.000 0.892 337 L HN 0.248 nan 8.230 nan 0.000 0.431 338 V N -0.390 119.405 119.914 -0.197 0.000 2.295 338 V HA -0.293 3.813 4.120 -0.025 0.000 0.246 338 V C 2.024 178.019 176.094 -0.164 0.000 1.049 338 V CA 1.937 64.095 62.300 -0.236 0.000 1.024 338 V CB -0.463 31.122 31.823 -0.396 0.000 0.648 338 V HN 0.438 nan 8.190 nan 0.000 0.447 339 D N -0.443 119.883 120.400 -0.123 0.000 2.224 339 D HA -0.068 4.557 4.640 -0.025 0.000 0.205 339 D C 2.078 178.376 176.300 -0.004 0.000 0.965 339 D CA 0.826 54.801 54.000 -0.041 0.000 0.852 339 D CB 0.117 40.944 40.800 0.045 0.000 0.947 339 D HN 0.302 nan 8.370 nan 0.000 0.494 340 V N 1.099 121.023 119.914 0.017 0.000 2.453 340 V HA -0.135 3.970 4.120 -0.025 0.000 0.247 340 V C 2.460 178.576 176.094 0.037 0.000 1.048 340 V CA 1.518 63.867 62.300 0.083 0.000 1.049 340 V CB -0.412 31.467 31.823 0.093 0.000 0.672 340 V HN 0.146 nan 8.190 nan 0.000 0.457 341 A N -1.281 121.541 122.820 0.003 0.000 1.898 341 A HA -0.266 4.039 4.320 -0.025 0.000 0.216 341 A C 2.390 179.966 177.584 -0.014 0.000 1.181 341 A CA 1.968 54.001 52.037 -0.007 0.000 0.620 341 A CB -1.150 17.825 19.000 -0.041 0.000 0.819 341 A HN 0.568 nan 8.150 nan 0.000 0.442 342 C N -1.025 118.256 119.300 -0.032 0.000 2.432 342 C HA -0.096 4.350 4.460 -0.025 0.000 0.277 342 C C 3.015 178.058 174.990 0.089 0.000 1.249 342 C CA 1.949 60.986 59.018 0.032 0.000 1.725 342 C CB -1.457 26.243 27.740 -0.067 0.000 2.028 342 C HN 0.631 nan 8.230 nan 0.000 0.477 343 T N 0.520 115.039 114.554 -0.058 0.000 2.635 343 T HA -0.182 4.154 4.350 -0.025 0.000 0.267 343 T C 1.313 175.933 174.700 -0.133 0.000 1.040 343 T CA 2.168 64.146 62.100 -0.203 0.000 1.156 343 T CB -0.467 68.028 68.868 -0.621 0.000 0.863 343 T HN 0.557 nan 8.240 nan 0.000 0.430 344 D N 0.863 121.220 120.400 -0.073 0.000 2.219 344 D HA 0.060 4.685 4.640 -0.025 0.000 0.205 344 D C 2.267 178.651 176.300 0.140 0.000 0.970 344 D CA 0.948 54.980 54.000 0.053 0.000 0.851 344 D CB -0.406 40.493 40.800 0.166 0.000 0.943 344 D HN 0.401 nan 8.370 nan 0.000 0.488 345 A N 0.703 123.571 122.820 0.080 0.000 1.902 345 A HA -0.028 4.278 4.320 -0.025 0.000 0.217 345 A C 2.375 179.939 177.584 -0.033 0.000 1.181 345 A CA 1.990 54.034 52.037 0.011 0.000 0.623 345 A CB -1.021 17.972 19.000 -0.013 0.000 0.818 345 A HN 0.300 nan 8.150 nan 0.000 0.443 346 G N -0.095 108.767 108.800 0.103 0.000 2.422 346 G HA2 -0.155 3.790 3.960 -0.025 0.000 0.218 346 G HA3 -0.155 3.790 3.960 -0.025 0.000 0.218 346 G C 1.526 176.528 174.900 0.171 0.000 1.146 346 G CA 1.083 46.269 45.100 0.144 0.000 0.769 346 G HN 0.474 nan 8.290 nan 0.000 0.547 347 I N -0.353 120.249 120.570 0.053 0.000 2.113 347 I HA -0.110 4.046 4.170 -0.025 0.000 0.238 347 I C 2.476 178.466 176.117 -0.212 0.000 1.070 347 I CA 1.094 62.293 61.300 -0.168 0.000 1.332 347 I CB -0.296 37.398 38.000 -0.510 0.000 1.044 347 I HN 0.104 nan 8.210 nan 0.000 0.402 348 F N 1.010 120.953 119.950 -0.011 0.000 2.186 348 F HA -0.213 4.299 4.527 -0.025 0.000 0.299 348 F C 2.931 178.716 175.800 -0.025 0.000 1.090 348 F CA 1.493 59.467 58.000 -0.044 0.000 1.307 348 F CB -0.636 38.304 39.000 -0.100 0.000 1.019 348 F HN 0.128 nan 8.300 nan 0.000 0.489 349 S N -0.704 115.071 115.700 0.125 0.000 2.383 349 S HA -0.227 4.228 4.470 -0.025 0.000 0.227 349 S C 1.975 176.606 174.600 0.051 0.000 1.026 349 S CA 0.715 58.926 58.200 0.018 0.000 0.981 349 S CB -1.059 62.083 63.200 -0.096 0.000 0.818 349 S HN 0.509 nan 8.310 nan 0.000 0.472 350 W N 2.215 123.502 121.300 -0.023 0.000 2.418 350 W HA 0.087 4.732 4.660 -0.026 0.000 0.292 350 W C 2.528 179.139 176.519 0.152 0.000 1.213 350 W CA 1.087 58.487 57.345 0.091 0.000 1.283 350 W CB -0.145 29.431 29.460 0.194 0.000 1.119 350 W HN 0.406 nan 8.180 nan 0.000 0.542 351 K N 0.656 121.176 120.400 0.199 0.000 2.026 351 K HA -0.197 4.108 4.320 -0.025 0.000 0.208 351 K C 1.681 178.329 176.600 0.081 0.000 1.048 351 K CA 1.381 57.728 56.287 0.100 0.000 0.929 351 K CB -0.059 32.430 32.500 -0.018 0.000 0.713 351 K HN -0.076 nan 8.250 nan 0.000 0.439 352 E N 0.881 121.124 120.200 0.073 0.000 2.106 352 E HA -0.146 4.189 4.350 -0.025 0.000 0.192 352 E C 1.913 178.607 176.600 0.156 0.000 0.984 352 E CA 1.013 57.485 56.400 0.120 0.000 0.806 352 E CB 0.001 29.816 29.700 0.192 0.000 0.750 352 E HN 0.313 nan 8.360 nan 0.000 0.458 353 K N -0.179 120.190 120.400 -0.052 0.000 2.009 353 K HA -0.167 4.138 4.320 -0.025 0.000 0.210 353 K C 1.999 178.430 176.600 -0.282 0.000 1.049 353 K CA 1.675 57.799 56.287 -0.272 0.000 0.929 353 K CB -0.281 31.744 32.500 -0.793 0.000 0.714 353 K HN 0.179 nan 8.250 nan 0.000 0.440 354 W N 0.945 122.154 121.300 -0.152 0.000 2.800 354 W HA -0.048 4.597 4.660 -0.024 0.000 0.249 354 W C 2.122 178.595 176.519 -0.077 0.000 1.294 354 W CA 0.211 57.459 57.345 -0.161 0.000 1.402 354 W CB 0.077 29.385 29.460 -0.253 0.000 1.126 354 W HN 0.223 nan 8.180 nan 0.000 0.652 355 E N 0.511 120.758 120.200 0.078 0.000 2.033 355 E HA -0.143 4.192 4.350 -0.025 0.000 0.189 355 E C 1.562 178.081 176.600 -0.135 0.000 0.979 355 E CA 1.558 57.896 56.400 -0.104 0.000 0.802 355 E CB -0.844 28.659 29.700 -0.329 0.000 0.763 355 E HN 0.279 nan 8.360 nan 0.000 0.449 356 F N 0.753 120.766 119.950 0.105 0.000 2.293 356 F HA 0.197 4.709 4.527 -0.025 0.000 0.297 356 F C 0.838 176.728 175.800 0.150 0.000 1.089 356 F CA 1.006 59.077 58.000 0.118 0.000 1.377 356 F CB -0.059 39.029 39.000 0.146 0.000 1.051 356 F HN -0.008 nan 8.300 nan 0.000 0.511 357 E N -0.216 120.155 120.200 0.285 0.000 2.440 357 E HA -0.280 4.055 4.350 -0.025 0.000 0.246 357 E C -0.138 176.655 176.600 0.322 0.000 1.165 357 E CA -0.200 56.330 56.400 0.216 0.000 0.726 357 E CB -1.572 28.297 29.700 0.281 0.000 1.271 357 E HN 0.276 nan 8.360 nan 0.000 0.397 358 F N 1.313 121.391 119.950 0.214 0.000 2.518 358 F HA 0.136 4.648 4.527 -0.025 0.000 0.359 358 F C 0.859 176.960 175.800 0.503 0.000 1.118 358 F CA -0.311 57.852 58.000 0.271 0.000 1.287 358 F CB 0.400 39.555 39.000 0.258 0.000 1.132 358 F HN 0.079 nan 8.300 nan 0.000 0.587 359 W N 5.986 127.208 121.300 -0.130 0.000 2.161 359 W HA 0.457 5.105 4.660 -0.018 0.000 0.344 359 W C -0.467 176.346 176.519 0.490 0.000 1.262 359 W CA -1.683 55.765 57.345 0.171 0.000 1.270 359 W CB -0.229 29.264 29.460 0.056 0.000 1.126 359 W HN 0.368 nan 8.180 nan 0.000 0.598 360 R N 2.038 122.862 120.500 0.540 0.000 2.582 360 R HA 0.130 4.456 4.340 -0.025 0.000 0.271 360 R C -1.413 174.832 176.300 -0.091 0.000 1.078 360 R CA -1.708 54.529 56.100 0.228 0.000 1.127 360 R CB 0.031 30.380 30.300 0.081 0.000 1.038 360 R HN 0.206 nan 8.270 nan 0.000 0.500 361 P HA -0.159 nan 4.420 nan 0.000 0.216 361 P C 1.342 178.434 177.300 -0.348 0.000 1.150 361 P CA 0.728 63.199 63.100 -1.047 0.000 0.837 361 P CB 0.158 31.204 31.700 -1.090 0.000 0.786 362 L N -0.472 120.686 121.223 -0.108 0.000 2.013 362 L HA -0.186 4.139 4.340 -0.025 0.000 0.212 362 L C 2.095 178.918 176.870 -0.079 0.000 1.073 362 L CA 2.173 57.029 54.840 0.027 0.000 0.753 362 L CB -1.414 40.590 42.059 -0.091 0.000 0.890 362 L HN -0.124 nan 8.230 nan 0.000 0.432 363 S N -0.391 115.200 115.700 -0.182 0.000 2.371 363 S HA -0.020 4.435 4.470 -0.025 0.000 0.224 363 S C 1.887 176.074 174.600 -0.688 0.000 1.029 363 S CA 0.837 58.874 58.200 -0.272 0.000 0.978 363 S CB -0.873 62.257 63.200 -0.116 0.000 0.833 363 S HN 0.687 nan 8.310 nan 0.000 0.466 364 G N 1.318 109.507 108.800 -1.018 0.000 2.422 364 G HA2 -0.147 3.798 3.960 -0.025 0.000 0.218 364 G HA3 -0.147 3.798 3.960 -0.025 0.000 0.218 364 G C 1.393 175.977 174.900 -0.526 0.000 1.146 364 G CA 1.007 45.248 45.100 -1.431 0.000 0.769 364 G HN 0.424 nan 8.290 nan 0.000 0.547 365 V N 0.271 119.972 119.914 -0.355 0.000 2.346 365 V HA -0.060 4.045 4.120 -0.025 0.000 0.244 365 V C 2.868 178.849 176.094 -0.189 0.000 1.037 365 V CA 1.701 63.843 62.300 -0.263 0.000 1.029 365 V CB -0.435 31.145 31.823 -0.406 0.000 0.663 365 V HN 0.263 nan 8.190 nan 0.000 0.454 366 R N 0.254 120.658 120.500 -0.162 0.000 2.073 366 R HA -0.119 4.207 4.340 -0.025 0.000 0.234 366 R C 1.473 177.665 176.300 -0.179 0.000 1.134 366 R CA 1.583 57.584 56.100 -0.165 0.000 0.952 366 R CB -0.254 29.957 30.300 -0.149 0.000 0.850 366 R HN 0.486 nan 8.270 nan 0.000 0.433 367 D N 0.019 120.299 120.400 -0.200 0.000 2.336 367 D HA -0.043 4.582 4.640 -0.025 0.000 0.228 367 D C 0.606 176.890 176.300 -0.026 0.000 1.120 367 D CA 0.362 54.303 54.000 -0.098 0.000 0.839 367 D CB 0.209 41.012 40.800 0.005 0.000 0.932 367 D HN 0.238 nan 8.370 nan 0.000 0.509 368 D N 0.391 120.751 120.400 -0.067 0.000 2.116 368 D HA -0.172 4.453 4.640 -0.025 0.000 0.193 368 D C 1.800 178.131 176.300 0.051 0.000 0.998 368 D CA 2.502 56.525 54.000 0.039 0.000 0.836 368 D CB 0.193 41.014 40.800 0.034 0.000 0.951 368 D HN 0.257 nan 8.370 nan 0.000 0.449 369 G N -0.561 108.250 108.800 0.019 0.000 2.258 369 G HA2 -0.308 3.637 3.960 -0.025 0.000 0.233 369 G HA3 -0.308 3.637 3.960 -0.025 0.000 0.233 369 G C 0.267 175.186 174.900 0.033 0.000 1.006 369 G CA 0.167 45.279 45.100 0.019 0.000 0.620 369 G HN 0.418 nan 8.290 nan 0.000 0.511 370 R N 1.253 121.786 120.500 0.055 0.000 2.216 370 R HA 0.413 4.738 4.340 -0.025 0.000 0.332 370 R C -1.461 174.902 176.300 0.105 0.000 1.056 370 R CA -1.559 54.597 56.100 0.093 0.000 0.901 370 R CB 1.206 31.587 30.300 0.134 0.000 1.039 370 R HN 0.099 nan 8.270 nan 0.000 0.456 371 P HA -0.202 nan 4.420 nan 0.000 0.217 371 P C 0.094 177.427 177.300 0.054 0.000 1.151 371 P CA 1.305 64.442 63.100 0.062 0.000 0.849 371 P CB 0.292 32.023 31.700 0.053 0.000 0.787 372 D N -3.177 117.259 120.400 0.061 0.000 2.340 372 D HA -0.012 4.613 4.640 -0.025 0.000 0.220 372 D C 1.439 177.662 176.300 -0.129 0.000 1.039 372 D CA 0.668 54.651 54.000 -0.028 0.000 0.866 372 D CB -0.148 40.615 40.800 -0.063 0.000 0.913 372 D HN 0.413 nan 8.370 nan 0.000 0.523 373 H N -0.962 118.107 119.070 -0.002 0.000 2.545 373 H HA 0.241 4.782 4.556 -0.025 0.000 0.251 373 H C 1.273 176.571 175.328 -0.049 0.000 0.934 373 H CA 0.261 56.300 56.048 -0.015 0.000 1.116 373 H CB 0.904 30.675 29.762 0.015 0.000 1.439 373 H HN -0.002 nan 8.280 nan 0.000 0.445 374 G N 0.400 109.255 108.800 0.092 0.000 2.557 374 G HA2 0.242 4.187 3.960 -0.025 0.000 0.292 374 G HA3 0.242 4.187 3.960 -0.025 0.000 0.292 374 G C -0.928 173.950 174.900 -0.036 0.000 1.237 374 G CA -0.154 44.940 45.100 -0.009 0.000 0.978 374 G HN 0.153 nan 8.290 nan 0.000 0.498 375 D N -0.468 119.890 120.400 -0.070 0.000 2.330 375 D HA 0.278 4.903 4.640 -0.025 0.000 0.249 375 D C -1.818 174.430 176.300 -0.087 0.000 1.306 375 D CA -1.789 52.204 54.000 -0.012 0.000 0.956 375 D CB 1.871 42.689 40.800 0.031 0.000 1.261 375 D HN 0.012 nan 8.370 nan 0.000 0.544 376 P HA 0.007 nan 4.420 nan 0.000 0.236 376 P C 0.297 176.997 177.300 -0.999 0.000 1.172 376 P CA 0.544 63.238 63.100 -0.678 0.000 0.759 376 P CB -0.189 30.986 31.700 -0.874 0.000 0.843 377 F N -4.205 115.788 119.950 0.070 0.000 2.775 377 F HA 0.299 4.809 4.527 -0.028 0.000 0.313 377 F C 0.920 176.778 175.800 0.097 0.000 1.121 377 F CA -1.259 56.776 58.000 0.058 0.000 1.206 377 F CB -0.541 38.478 39.000 0.033 0.000 1.052 377 F HN -0.168 nan 8.300 nan 0.000 0.524 378 W N 2.847 124.150 121.300 0.004 0.000 2.123 378 W HA 0.507 5.161 4.660 -0.009 0.000 0.351 378 W C -1.011 175.484 176.519 -0.040 0.000 1.292 378 W CA -0.419 56.912 57.345 -0.023 0.000 1.263 378 W CB 0.452 29.864 29.460 -0.079 0.000 1.165 378 W HN -0.129 nan 8.180 nan 0.000 0.590 379 L N 4.435 125.202 121.223 -0.760 0.000 2.455 379 L HA 0.344 4.669 4.340 -0.025 0.000 0.264 379 L C 0.412 176.508 176.870 -1.290 0.000 0.968 379 L CA -0.958 53.440 54.840 -0.736 0.000 0.827 379 L CB 2.115 43.952 42.059 -0.369 0.000 1.317 379 L HN 0.518 nan 8.230 nan 0.000 0.407 380 T N -1.292 112.612 114.554 -1.083 0.000 2.881 380 T HA 0.288 4.623 4.350 -0.025 0.000 0.278 380 T C 0.739 175.153 174.700 -0.477 0.000 0.982 380 T CA -0.669 60.862 62.100 -0.948 0.000 0.989 380 T CB 1.337 69.805 68.868 -0.667 0.000 1.058 380 T HN 0.460 nan 8.240 nan 0.000 0.529 381 L N 1.310 122.348 121.223 -0.309 0.000 2.141 381 L HA 0.321 4.646 4.340 -0.025 0.000 0.209 381 L C 1.225 177.974 176.870 -0.202 0.000 1.094 381 L CA 2.179 56.904 54.840 -0.193 0.000 0.763 381 L CB -1.553 40.441 42.059 -0.109 0.000 0.908 381 L HN 1.414 nan 8.230 nan 0.000 0.437 382 G N -1.178 107.474 108.800 -0.247 0.000 2.819 382 G HA2 0.002 3.947 3.960 -0.025 0.000 0.682 382 G HA3 0.002 3.947 3.960 -0.025 0.000 0.682 382 G C -0.068 174.632 174.900 -0.333 0.000 1.481 382 G CA -0.410 44.520 45.100 -0.282 0.000 0.904 382 G HN 0.960 nan 8.290 nan 0.000 0.563 383 A N 2.456 124.950 122.820 -0.544 0.000 2.454 383 A HA 0.649 4.955 4.320 -0.025 0.000 0.260 383 A C -1.121 176.092 177.584 -0.617 0.000 1.106 383 A CA -0.291 51.318 52.037 -0.713 0.000 0.780 383 A CB 0.166 18.387 19.000 -1.299 0.000 1.044 383 A HN 0.806 nan 8.150 nan 0.000 0.498 384 P HA 0.247 nan 4.420 nan 0.000 0.276 384 P C -0.412 176.915 177.300 0.046 0.000 1.243 384 P CA 0.078 63.109 63.100 -0.115 0.000 0.768 384 P CB 1.237 32.875 31.700 -0.103 0.000 0.856 385 A N 3.747 126.660 122.820 0.154 0.000 3.015 385 A HA 0.342 4.647 4.320 -0.025 0.000 0.293 385 A C 0.530 178.135 177.584 0.034 0.000 1.572 385 A CA -0.209 51.944 52.037 0.193 0.000 1.274 385 A CB -0.844 18.264 19.000 0.180 0.000 1.156 385 A HN 0.435 nan 8.150 nan 0.000 0.562 386 T N 1.998 116.536 114.554 -0.025 0.000 2.907 386 T HA 0.236 4.571 4.350 -0.025 0.000 0.298 386 T C 0.613 175.241 174.700 -0.119 0.000 1.017 386 T CA 0.077 62.123 62.100 -0.089 0.000 1.118 386 T CB 0.221 68.998 68.868 -0.153 0.000 0.948 386 T HN 0.701 nan 8.240 nan 0.000 0.531 387 N N 0.374 119.010 118.700 -0.107 0.000 2.776 387 N HA -0.145 4.580 4.740 -0.025 0.000 0.250 387 N C 0.111 175.568 175.510 -0.088 0.000 1.112 387 N CA 1.507 54.482 53.050 -0.125 0.000 0.733 387 N CB -1.691 36.641 38.487 -0.259 0.000 1.097 387 N HN 0.975 nan 8.380 nan 0.000 0.558 388 T N -3.621 110.918 114.554 -0.025 0.000 2.696 388 T HA 0.573 4.909 4.350 -0.025 0.000 0.291 388 T C 0.451 175.169 174.700 0.030 0.000 1.095 388 T CA -0.469 61.644 62.100 0.021 0.000 1.026 388 T CB 1.466 70.333 68.868 -0.002 0.000 1.390 388 T HN 0.047 nan 8.240 nan 0.000 0.513 389 N N -0.299 118.423 118.700 0.037 0.000 2.282 389 N HA 0.200 4.926 4.740 -0.025 0.000 0.240 389 N C -1.224 174.308 175.510 0.036 0.000 1.182 389 N CA -0.372 52.697 53.050 0.031 0.000 0.874 389 N CB 0.086 38.591 38.487 0.030 0.000 1.126 389 N HN 0.488 nan 8.380 nan 0.000 0.516 390 D N 1.303 121.729 120.400 0.043 0.000 2.294 390 D HA 0.320 4.945 4.640 -0.025 0.000 0.250 390 D C 0.988 177.346 176.300 0.097 0.000 1.058 390 D CA -0.468 53.575 54.000 0.072 0.000 0.950 390 D CB 2.045 42.880 40.800 0.059 0.000 1.158 390 D HN 0.313 nan 8.370 nan 0.000 0.453 391 I N -2.319 118.337 120.570 0.143 0.000 2.764 391 I HA 0.412 4.567 4.170 -0.025 0.000 0.294 391 I C -2.282 173.971 176.117 0.226 0.000 1.045 391 I CA -1.850 59.532 61.300 0.135 0.000 1.340 391 I CB 0.128 38.182 38.000 0.090 0.000 1.436 391 I HN -0.019 nan 8.210 nan 0.000 0.567 392 P HA 0.125 nan 4.420 nan 0.000 0.270 392 P C -1.058 176.392 177.300 0.249 0.000 1.221 392 P CA 0.320 63.481 63.100 0.102 0.000 0.788 392 P CB 0.246 31.914 31.700 -0.053 0.000 0.904 393 F N -1.949 117.977 119.950 -0.040 0.000 2.726 393 F HA 0.722 5.232 4.527 -0.029 0.000 0.324 393 F C -1.053 174.690 175.800 -0.096 0.000 1.140 393 F CA -1.280 56.687 58.000 -0.056 0.000 0.964 393 F CB 1.190 39.999 39.000 -0.319 0.000 1.399 393 F HN -0.162 nan 8.300 nan 0.000 0.491 394 K N 1.538 121.990 120.400 0.086 0.000 2.339 394 K HA 0.438 4.743 4.320 -0.025 0.000 0.264 394 K C -2.872 173.746 176.600 0.030 0.000 0.986 394 K CA -2.062 54.174 56.287 -0.085 0.000 0.866 394 K CB 1.418 33.889 32.500 -0.048 0.000 1.103 394 K HN 0.339 nan 8.250 nan 0.000 0.441 395 P HA -0.070 nan 4.420 nan 0.000 0.264 395 P C -2.076 174.974 177.300 -0.416 0.000 1.173 395 P CA -0.552 62.415 63.100 -0.222 0.000 0.761 395 P CB 0.042 31.380 31.700 -0.603 0.000 0.794 396 P HA 0.066 nan 4.420 nan 0.000 0.238 396 P C -0.991 176.614 177.300 0.508 0.000 1.714 396 P CA 0.445 63.727 63.100 0.304 0.000 0.908 396 P CB -0.848 31.093 31.700 0.402 0.000 1.893 397 F N -3.243 116.793 119.950 0.142 0.000 2.741 397 F HA 0.664 5.178 4.527 -0.021 0.000 0.311 397 F C -3.097 172.114 175.800 -0.982 0.000 1.149 397 F CA -3.501 54.104 58.000 -0.659 0.000 0.930 397 F CB -0.081 38.722 39.000 -0.329 0.000 1.312 397 F HN -0.345 nan 8.300 nan 0.000 0.450 398 P HA 0.178 nan 4.420 nan 0.000 0.269 398 P C 0.030 177.276 177.300 -0.089 0.000 1.217 398 P CA 0.627 63.359 63.100 -0.613 0.000 0.783 398 P CB 0.854 32.143 31.700 -0.686 0.000 0.898 399 A N 1.378 124.371 122.820 0.288 0.000 1.975 399 A HA -0.057 4.248 4.320 -0.025 0.000 0.215 399 A C 0.480 178.373 177.584 0.515 0.000 1.170 399 A CA 1.183 53.536 52.037 0.527 0.000 0.656 399 A CB -0.862 18.620 19.000 0.803 0.000 0.821 399 A HN 0.589 nan 8.150 nan 0.000 0.449 400 Y N 1.896 122.364 120.300 0.280 0.000 2.353 400 Y HA 0.488 5.023 4.550 -0.026 0.000 0.340 400 Y C -2.625 173.275 175.900 0.000 0.000 0.972 400 Y CA -2.925 55.224 58.100 0.082 0.000 1.157 400 Y CB 1.637 40.027 38.460 -0.117 0.000 1.157 400 Y HN 0.117 nan 8.280 nan 0.000 0.495 401 P HA 0.157 nan 4.420 nan 0.000 0.301 401 P C -0.924 176.171 177.300 -0.342 0.000 1.309 401 P CA -0.677 62.078 63.100 -0.576 0.000 0.782 401 P CB 1.519 32.825 31.700 -0.657 0.000 1.282 402 S N -1.089 114.345 115.700 -0.442 0.000 2.505 402 S HA 0.308 4.763 4.470 -0.025 0.000 0.276 402 S C 1.753 176.200 174.600 -0.255 0.000 1.274 402 S CA 0.095 57.931 58.200 -0.606 0.000 1.053 402 S CB -0.617 62.133 63.200 -0.751 0.000 0.919 402 S HN 0.551 nan 8.310 nan 0.000 0.490 403 G N 3.283 112.068 108.800 -0.025 0.000 2.418 403 G HA2 -0.170 3.776 3.960 -0.025 0.000 0.217 403 G HA3 -0.170 3.776 3.960 -0.025 0.000 0.217 403 G C 1.144 176.049 174.900 0.009 0.000 1.158 403 G CA 0.767 45.864 45.100 -0.005 0.000 0.771 403 G HN 0.858 nan 8.290 nan 0.000 0.545 404 H N 0.857 120.049 119.070 0.204 0.000 2.319 404 H HA 0.061 4.603 4.556 -0.023 0.000 0.299 404 H C 2.862 178.224 175.328 0.055 0.000 1.092 404 H CA 1.607 57.847 56.048 0.321 0.000 1.302 404 H CB -0.265 29.663 29.762 0.276 0.000 1.373 404 H HN 0.372 nan 8.280 nan 0.000 0.497 405 A N -0.412 122.416 122.820 0.013 0.000 1.933 405 A HA -0.185 4.120 4.320 -0.025 0.000 0.218 405 A C 2.419 179.874 177.584 -0.215 0.000 1.175 405 A CA 2.107 54.053 52.037 -0.151 0.000 0.628 405 A CB -0.820 18.052 19.000 -0.213 0.000 0.814 405 A HN 0.481 nan 8.150 nan 0.000 0.444 406 T N -0.669 113.734 114.554 -0.253 0.000 2.770 406 T HA -0.061 4.275 4.350 -0.025 0.000 0.263 406 T C 1.605 176.138 174.700 -0.278 0.000 1.039 406 T CA 1.396 63.316 62.100 -0.300 0.000 1.142 406 T CB -0.498 68.159 68.868 -0.351 0.000 0.868 406 T HN 0.467 nan 8.240 nan 0.000 0.435 407 F N 1.556 121.404 119.950 -0.169 0.000 2.126 407 F HA -0.051 4.460 4.527 -0.026 0.000 0.299 407 F C 2.826 178.244 175.800 -0.637 0.000 1.096 407 F CA 0.786 58.594 58.000 -0.320 0.000 1.255 407 F CB -0.635 38.251 39.000 -0.190 0.000 0.997 407 F HN 0.259 nan 8.300 nan 0.000 0.479 408 G N -0.277 108.268 108.800 -0.424 0.000 2.402 408 G HA2 -0.146 3.799 3.960 -0.025 0.000 0.216 408 G HA3 -0.146 3.799 3.960 -0.025 0.000 0.216 408 G C 1.930 176.667 174.900 -0.272 0.000 1.162 408 G CA 0.767 45.586 45.100 -0.468 0.000 0.777 408 G HN 0.477 nan 8.290 nan 0.000 0.539 409 G N 1.200 109.850 108.800 -0.249 0.000 2.446 409 G HA2 0.014 3.959 3.960 -0.025 0.000 0.217 409 G HA3 0.014 3.959 3.960 -0.025 0.000 0.217 409 G C 2.049 176.841 174.900 -0.180 0.000 1.168 409 G CA 1.729 46.696 45.100 -0.222 0.000 0.771 409 G HN 0.646 nan 8.290 nan 0.000 0.551 410 A N 0.149 122.845 122.820 -0.206 0.000 1.835 410 A HA 0.039 4.345 4.320 -0.025 0.000 0.215 410 A C 2.630 180.079 177.584 -0.225 0.000 1.199 410 A CA 2.087 54.021 52.037 -0.171 0.000 0.615 410 A CB -0.991 17.930 19.000 -0.131 0.000 0.838 410 A HN 0.283 nan 8.150 nan 0.000 0.444 411 V N -0.980 118.701 119.914 -0.388 0.000 2.231 411 V HA -0.313 3.793 4.120 -0.025 0.000 0.248 411 V C 2.401 178.160 176.094 -0.558 0.000 1.054 411 V CA 2.475 64.429 62.300 -0.576 0.000 1.015 411 V CB -1.041 30.219 31.823 -0.939 0.000 0.638 411 V HN 0.601 nan 8.190 nan 0.000 0.444 412 F N -0.593 119.251 119.950 -0.177 0.000 2.367 412 F HA -0.104 4.408 4.527 -0.025 0.000 0.298 412 F C 2.526 178.310 175.800 -0.026 0.000 1.094 412 F CA 1.185 59.124 58.000 -0.102 0.000 1.409 412 F CB -0.313 38.611 39.000 -0.127 0.000 1.064 412 F HN 0.148 nan 8.300 nan 0.000 0.528 413 Q N 0.602 120.449 119.800 0.079 0.000 2.119 413 Q HA -0.195 4.130 4.340 -0.025 0.000 0.201 413 Q C 2.060 178.077 176.000 0.028 0.000 0.972 413 Q CA 1.479 57.342 55.803 0.099 0.000 0.847 413 Q CB -0.328 28.447 28.738 0.062 0.000 0.903 413 Q HN 0.323 nan 8.270 nan 0.000 0.433 414 M N -0.898 118.681 119.600 -0.035 0.000 2.117 414 M HA -0.101 4.364 4.480 -0.025 0.000 0.262 414 M C 1.776 178.064 176.300 -0.021 0.000 1.065 414 M CA 1.375 56.638 55.300 -0.061 0.000 1.114 414 M CB -0.549 31.996 32.600 -0.091 0.000 1.361 414 M HN 0.131 nan 8.290 nan 0.000 0.408 415 V N 0.001 119.940 119.914 0.041 0.000 2.343 415 V HA -0.306 3.799 4.120 -0.025 0.000 0.247 415 V C 2.423 178.722 176.094 0.341 0.000 1.051 415 V CA 2.117 64.541 62.300 0.207 0.000 1.036 415 V CB -0.646 31.329 31.823 0.252 0.000 0.654 415 V HN 0.466 nan 8.190 nan 0.000 0.451 416 R N -0.532 120.129 120.500 0.268 0.000 2.073 416 R HA -0.117 4.208 4.340 -0.025 0.000 0.234 416 R C 2.564 179.064 176.300 0.333 0.000 1.134 416 R CA 1.305 57.638 56.100 0.388 0.000 0.952 416 R CB -0.339 30.125 30.300 0.274 0.000 0.850 416 R HN 0.338 nan 8.270 nan 0.000 0.433 417 R N -0.361 120.129 120.500 -0.017 0.000 2.096 417 R HA -0.157 4.168 4.340 -0.025 0.000 0.235 417 R C 2.036 178.072 176.300 -0.440 0.000 1.127 417 R CA 1.404 57.231 56.100 -0.456 0.000 0.968 417 R CB -0.803 28.829 30.300 -1.113 0.000 0.861 417 R HN 0.375 nan 8.270 nan 0.000 0.440 418 Y N -0.246 119.853 120.300 -0.335 0.000 2.263 418 Y HA -0.175 4.361 4.550 -0.024 0.000 0.292 418 Y C 1.382 177.132 175.900 -0.250 0.000 1.130 418 Y CA 1.452 59.416 58.100 -0.227 0.000 1.179 418 Y CB -0.059 38.229 38.460 -0.286 0.000 0.998 418 Y HN 0.003 nan 8.280 nan 0.000 0.532 419 Y N -0.708 119.714 120.300 0.203 0.000 2.457 419 Y HA 0.082 4.618 4.550 -0.025 0.000 0.263 419 Y C 0.681 176.571 175.900 -0.016 0.000 1.164 419 Y CA -0.375 57.810 58.100 0.142 0.000 1.274 419 Y CB -0.094 38.505 38.460 0.231 0.000 1.097 419 Y HN -0.054 nan 8.280 nan 0.000 0.523 420 N N 0.945 119.585 118.700 -0.100 0.000 2.440 420 N HA 0.104 4.830 4.740 -0.025 0.000 0.265 420 N C 1.027 176.222 175.510 -0.525 0.000 1.239 420 N CA 1.578 54.116 53.050 -0.853 0.000 0.909 420 N CB 0.790 38.724 38.487 -0.922 0.000 1.066 420 N HN 0.577 nan 8.380 nan 0.000 0.474 421 G N 3.712 112.195 108.800 -0.529 0.000 2.284 421 G HA2 -0.278 3.667 3.960 -0.025 0.000 0.230 421 G HA3 -0.278 3.667 3.960 -0.025 0.000 0.230 421 G C 1.263 176.091 174.900 -0.120 0.000 1.021 421 G CA 0.402 45.341 45.100 -0.268 0.000 0.619 421 G HN 0.597 nan 8.290 nan 0.000 0.510 422 R N -0.317 120.149 120.500 -0.058 0.000 2.087 422 R HA 0.367 4.692 4.340 -0.025 0.000 0.216 422 R C 2.480 178.823 176.300 0.072 0.000 1.114 422 R CA 1.387 57.520 56.100 0.056 0.000 1.002 422 R CB -0.068 30.334 30.300 0.169 0.000 0.903 422 R HN 0.335 nan 8.270 nan 0.000 0.445 423 V N -0.619 119.336 119.914 0.069 0.000 2.992 423 V HA 0.241 4.346 4.120 -0.025 0.000 0.250 423 V C 0.881 177.035 176.094 0.101 0.000 1.090 423 V CA 1.125 63.406 62.300 -0.032 0.000 1.101 423 V CB 0.956 32.580 31.823 -0.333 0.000 0.743 423 V HN 0.572 nan 8.190 nan 0.000 0.468 424 G N -0.365 108.545 108.800 0.182 0.000 2.348 424 G HA2 0.493 4.438 3.960 -0.025 0.000 0.296 424 G HA3 0.493 4.438 3.960 -0.025 0.000 0.296 424 G C -0.906 173.990 174.900 -0.006 0.000 1.258 424 G CA 0.284 45.509 45.100 0.209 0.000 0.868 424 G HN 0.182 nan 8.290 nan 0.000 0.488 425 T N -2.233 112.358 114.554 0.062 0.000 2.916 425 T HA 0.769 5.104 4.350 -0.025 0.000 0.298 425 T C -1.044 173.702 174.700 0.076 0.000 1.031 425 T CA -0.393 61.587 62.100 -0.199 0.000 0.993 425 T CB 1.745 70.537 68.868 -0.127 0.000 1.045 425 T HN 1.887 nan 8.240 nan 0.000 0.454 426 W N 0.074 121.333 121.300 -0.068 0.000 3.059 426 W HA 0.731 5.377 4.660 -0.023 0.000 0.329 426 W C -1.509 174.951 176.519 -0.097 0.000 1.246 426 W CA -1.355 55.932 57.345 -0.096 0.000 1.190 426 W CB 0.748 30.127 29.460 -0.135 0.000 1.423 426 W HN 0.697 nan 8.180 nan 0.000 0.571 427 K N 1.635 122.113 120.400 0.129 0.000 2.326 427 K HA 0.060 4.365 4.320 -0.025 0.000 0.275 427 K C 0.754 177.431 176.600 0.129 0.000 1.018 427 K CA -0.048 56.264 56.287 0.042 0.000 0.962 427 K CB 0.625 33.133 32.500 0.013 0.000 0.953 427 K HN 0.413 nan 8.250 nan 0.000 0.475 428 D N 1.712 122.145 120.400 0.056 0.000 2.170 428 D HA -0.207 4.418 4.640 -0.025 0.000 0.193 428 D C 0.681 177.035 176.300 0.090 0.000 1.004 428 D CA 1.632 55.686 54.000 0.091 0.000 0.860 428 D CB -0.034 40.792 40.800 0.043 0.000 0.931 428 D HN 0.638 nan 8.370 nan 0.000 0.448 429 D N -0.415 119.999 120.400 0.022 0.000 2.463 429 D HA 0.078 4.703 4.640 -0.025 0.000 0.224 429 D C 0.061 176.193 176.300 -0.280 0.000 1.174 429 D CA -0.160 53.823 54.000 -0.027 0.000 0.829 429 D CB -0.217 40.631 40.800 0.081 0.000 0.993 429 D HN 0.167 nan 8.370 nan 0.000 0.497 430 E N 0.377 120.351 120.200 -0.377 0.000 2.320 430 E HA 0.413 4.749 4.350 -0.025 0.000 0.264 430 E C -2.695 173.363 176.600 -0.903 0.000 0.923 430 E CA -2.545 53.526 56.400 -0.549 0.000 0.796 430 E CB 1.465 31.035 29.700 -0.218 0.000 1.262 430 E HN -0.108 nan 8.360 nan 0.000 0.428 431 P HA -0.124 nan 4.420 nan 0.000 0.261 431 P C -0.712 176.146 177.300 -0.736 0.000 1.173 431 P CA 0.636 63.182 63.100 -0.923 0.000 0.760 431 P CB 0.394 31.795 31.700 -0.498 0.000 0.783 432 D N 1.841 121.688 120.400 -0.921 0.000 2.511 432 D HA 0.082 4.708 4.640 -0.025 0.000 0.276 432 D C 0.140 176.021 176.300 -0.698 0.000 1.220 432 D CA -0.390 52.752 54.000 -1.431 0.000 1.077 432 D CB 0.730 40.371 40.800 -1.932 0.000 1.126 432 D HN 0.150 nan 8.370 nan 0.000 0.583 433 N N -1.453 116.840 118.700 -0.679 0.000 2.197 433 N HA 0.126 4.851 4.740 -0.025 0.000 0.201 433 N C -0.108 175.302 175.510 -0.167 0.000 1.148 433 N CA -0.275 52.649 53.050 -0.210 0.000 0.883 433 N CB -0.007 38.509 38.487 0.048 0.000 1.012 433 N HN 0.335 nan 8.380 nan 0.000 0.507 434 I N 1.621 122.024 120.570 -0.278 0.000 2.624 434 I HA 0.081 4.237 4.170 -0.025 0.000 0.307 434 I C 0.388 176.505 176.117 -0.000 0.000 1.191 434 I CA -0.365 60.827 61.300 -0.179 0.000 1.708 434 I CB -0.415 37.477 38.000 -0.180 0.000 1.521 434 I HN 0.069 nan 8.210 nan 0.000 0.805 435 A N 7.905 130.795 122.820 0.117 0.000 2.293 435 A HA 0.909 5.214 4.320 -0.025 0.000 0.302 435 A C -0.154 177.536 177.584 0.176 0.000 1.119 435 A CA -0.501 51.603 52.037 0.111 0.000 0.823 435 A CB 0.890 19.964 19.000 0.123 0.000 1.097 435 A HN 0.736 nan 8.150 nan 0.000 0.491 436 I N -1.509 119.102 120.570 0.068 0.000 3.095 436 I HA 0.861 5.017 4.170 -0.025 0.000 0.310 436 I C -1.575 174.615 176.117 0.122 0.000 1.196 436 I CA -1.096 60.269 61.300 0.108 0.000 0.985 436 I CB 2.748 40.826 38.000 0.129 0.000 1.250 436 I HN 0.694 nan 8.210 nan 0.000 0.446 437 D N 2.588 123.105 120.400 0.195 0.000 2.610 437 D HA 0.575 5.201 4.640 -0.025 0.000 0.271 437 D C -0.210 176.199 176.300 0.182 0.000 1.174 437 D CA -0.930 53.225 54.000 0.259 0.000 0.949 437 D CB 1.336 42.347 40.800 0.352 0.000 1.430 437 D HN 0.805 nan 8.370 nan 0.000 0.467 438 M N -1.883 117.812 119.600 0.158 0.000 2.576 438 M HA -0.230 4.235 4.480 -0.025 0.000 0.200 438 M C -0.582 175.808 176.300 0.149 0.000 0.487 438 M CA 0.342 55.717 55.300 0.125 0.000 0.553 438 M CB -1.416 31.238 32.600 0.090 0.000 2.042 438 M HN 0.522 nan 8.290 nan 0.000 0.758 439 M N 1.491 121.219 119.600 0.214 0.000 2.084 439 M HA 0.551 5.016 4.480 -0.025 0.000 0.351 439 M C -0.640 175.865 176.300 0.341 0.000 1.240 439 M CA 0.017 55.485 55.300 0.280 0.000 1.083 439 M CB 0.502 33.333 32.600 0.386 0.000 1.593 439 M HN 0.239 nan 8.290 nan 0.000 0.463 440 I N 2.852 123.577 120.570 0.258 0.000 2.404 440 I HA 0.348 4.503 4.170 -0.025 0.000 0.293 440 I C -0.137 176.031 176.117 0.085 0.000 0.992 440 I CA -0.764 60.658 61.300 0.203 0.000 1.149 440 I CB 2.000 40.059 38.000 0.099 0.000 1.315 440 I HN 0.617 nan 8.210 nan 0.000 0.446 441 S N 3.928 119.522 115.700 -0.177 0.000 2.562 441 S HA 0.197 4.652 4.470 -0.025 0.000 0.275 441 S C 0.891 175.258 174.600 -0.389 0.000 1.281 441 S CA -0.398 57.392 58.200 -0.683 0.000 1.045 441 S CB 0.967 63.314 63.200 -1.421 0.000 0.962 441 S HN 0.671 nan 8.310 nan 0.000 0.503 442 E N 1.972 121.950 120.200 -0.370 0.000 2.478 442 E HA -0.062 4.273 4.350 -0.025 0.000 0.198 442 E C 1.037 177.386 176.600 -0.418 0.000 1.046 442 E CA 0.445 56.635 56.400 -0.351 0.000 0.870 442 E CB 0.176 29.656 29.700 -0.368 0.000 0.818 442 E HN 0.616 nan 8.360 nan 0.000 0.527 443 E N -0.178 119.734 120.200 -0.480 0.000 2.371 443 E HA 0.009 4.344 4.350 -0.025 0.000 0.194 443 E C 0.326 176.796 176.600 -0.216 0.000 1.012 443 E CA 0.574 56.758 56.400 -0.361 0.000 0.860 443 E CB 0.490 29.982 29.700 -0.346 0.000 0.811 443 E HN 0.221 nan 8.360 nan 0.000 0.502 444 L N 2.184 123.297 121.223 -0.184 0.000 2.448 444 L HA 0.209 4.534 4.340 -0.025 0.000 0.257 444 L C -0.043 176.797 176.870 -0.049 0.000 1.504 444 L CA -0.361 54.431 54.840 -0.080 0.000 0.852 444 L CB 0.634 42.686 42.059 -0.011 0.000 1.051 444 L HN -0.095 nan 8.230 nan 0.000 0.518 445 N N -0.124 118.537 118.700 -0.065 0.000 2.240 445 N HA 0.139 4.864 4.740 -0.025 0.000 0.240 445 N C 0.925 176.417 175.510 -0.030 0.000 1.277 445 N CA 0.217 53.242 53.050 -0.041 0.000 0.873 445 N CB 1.139 39.588 38.487 -0.065 0.000 1.222 445 N HN 0.403 nan 8.380 nan 0.000 0.507 446 G N -0.351 108.432 108.800 -0.028 0.000 2.166 446 G HA2 -0.296 3.649 3.960 -0.025 0.000 0.260 446 G HA3 -0.296 3.649 3.960 -0.025 0.000 0.260 446 G C 0.426 175.310 174.900 -0.026 0.000 0.986 446 G CA 0.879 45.966 45.100 -0.021 0.000 0.683 446 G HN 0.345 nan 8.290 nan 0.000 0.527 447 V N -0.871 119.019 119.914 -0.040 0.000 3.141 447 V HA 0.212 4.317 4.120 -0.025 0.000 0.225 447 V C 1.297 177.362 176.094 -0.048 0.000 1.352 447 V CA 0.546 62.823 62.300 -0.038 0.000 1.316 447 V CB -0.074 31.725 31.823 -0.039 0.000 1.126 447 V HN 0.305 nan 8.190 nan 0.000 0.493 448 N N 2.568 121.223 118.700 -0.074 0.000 2.444 448 N HA 0.366 5.091 4.740 -0.025 0.000 0.255 448 N C -0.035 175.431 175.510 -0.073 0.000 1.255 448 N CA 0.147 53.143 53.050 -0.091 0.000 0.933 448 N CB 0.510 38.908 38.487 -0.147 0.000 1.143 448 N HN 0.481 nan 8.380 nan 0.000 0.453 449 R N -0.555 119.905 120.500 -0.066 0.000 2.762 449 R HA 0.399 4.724 4.340 -0.025 0.000 0.271 449 R C -1.808 174.467 176.300 -0.042 0.000 1.038 449 R CA -0.708 55.364 56.100 -0.047 0.000 0.906 449 R CB 0.753 31.038 30.300 -0.026 0.000 1.259 449 R HN 0.276 nan 8.270 nan 0.000 0.457 450 D N 1.871 122.253 120.400 -0.029 0.000 2.427 450 D HA 0.346 4.971 4.640 -0.025 0.000 0.226 450 D C 0.161 176.458 176.300 -0.004 0.000 1.076 450 D CA -0.383 53.606 54.000 -0.019 0.000 0.849 450 D CB 1.488 42.275 40.800 -0.020 0.000 1.052 450 D HN 0.247 nan 8.370 nan 0.000 0.515 451 L N 1.617 122.845 121.223 0.008 0.000 2.473 451 L HA 0.210 4.535 4.340 -0.025 0.000 0.268 451 L C 1.918 178.797 176.870 0.014 0.000 1.215 451 L CA -0.136 54.715 54.840 0.020 0.000 0.823 451 L CB 0.975 43.062 42.059 0.046 0.000 1.099 451 L HN 0.204 nan 8.230 nan 0.000 0.483 452 R N 0.581 121.088 120.500 0.012 0.000 2.362 452 R HA 0.078 4.403 4.340 -0.025 0.000 0.227 452 R C -0.337 175.968 176.300 0.008 0.000 0.905 452 R CA 0.024 56.128 56.100 0.007 0.000 1.067 452 R CB 0.444 30.745 30.300 0.001 0.000 1.078 452 R HN 0.616 nan 8.270 nan 0.000 0.516 453 Q N -0.435 119.372 119.800 0.013 0.000 2.590 453 Q HA 0.425 4.750 4.340 -0.025 0.000 0.295 453 Q C -3.172 172.842 176.000 0.024 0.000 0.973 453 Q CA -2.784 53.025 55.803 0.011 0.000 0.768 453 Q CB 1.066 29.803 28.738 -0.001 0.000 1.479 453 Q HN -0.270 nan 8.270 nan 0.000 0.419 454 P HA 0.003 nan 4.420 nan 0.000 0.266 454 P C -0.843 176.489 177.300 0.053 0.000 1.195 454 P CA 0.051 63.176 63.100 0.043 0.000 0.768 454 P CB -0.027 31.686 31.700 0.021 0.000 0.838 455 Y N 2.817 123.105 120.300 -0.020 0.000 2.712 455 Y HA 0.030 4.564 4.550 -0.026 0.000 0.333 455 Y C 0.267 176.154 175.900 -0.022 0.000 1.225 455 Y CA 0.081 58.167 58.100 -0.024 0.000 1.499 455 Y CB -0.001 38.442 38.460 -0.028 0.000 1.288 455 Y HN 0.276 nan 8.280 nan 0.000 0.575 456 D N 8.796 128.725 120.400 -0.784 0.000 2.454 456 D HA 0.264 4.889 4.640 -0.025 0.000 0.225 456 D C -2.002 173.683 176.300 -1.025 0.000 1.081 456 D CA -2.656 50.947 54.000 -0.662 0.000 0.864 456 D CB 1.380 41.987 40.800 -0.320 0.000 1.040 456 D HN 0.401 nan 8.370 nan 0.000 0.517 457 P HA -0.107 nan 4.420 nan 0.000 0.228 457 P C 0.883 178.072 177.300 -0.185 0.000 1.151 457 P CA 0.880 63.718 63.100 -0.437 0.000 0.770 457 P CB 0.067 31.701 31.700 -0.110 0.000 0.786 458 T N -4.083 110.355 114.554 -0.192 0.000 3.081 458 T HA 0.464 4.799 4.350 -0.025 0.000 0.250 458 T C 0.805 175.452 174.700 -0.088 0.000 1.100 458 T CA -0.151 61.887 62.100 -0.102 0.000 1.038 458 T CB -0.068 68.748 68.868 -0.086 0.000 0.962 458 T HN 0.062 nan 8.240 nan 0.000 0.516 459 A N 2.136 124.882 122.820 -0.123 0.000 2.380 459 A HA 0.799 5.104 4.320 -0.025 0.000 0.315 459 A C -2.923 174.639 177.584 -0.035 0.000 1.101 459 A CA -2.325 49.666 52.037 -0.077 0.000 0.771 459 A CB 1.228 20.175 19.000 -0.088 0.000 1.287 459 A HN 0.131 nan 8.150 nan 0.000 0.436 460 P HA 0.081 nan 4.420 nan 0.000 0.269 460 P C 0.807 178.128 177.300 0.035 0.000 1.209 460 P CA -0.154 62.958 63.100 0.019 0.000 0.776 460 P CB 0.617 32.321 31.700 0.007 0.000 0.876 461 I N 2.453 123.061 120.570 0.063 0.000 2.454 461 I HA -0.238 3.917 4.170 -0.025 0.000 0.254 461 I C 1.598 177.733 176.117 0.030 0.000 1.156 461 I CA 1.718 63.062 61.300 0.072 0.000 1.433 461 I CB -0.699 37.337 38.000 0.059 0.000 1.082 461 I HN 0.308 nan 8.210 nan 0.000 0.432 462 E N 0.065 120.273 120.200 0.013 0.000 2.418 462 E HA -0.131 4.204 4.350 -0.025 0.000 0.197 462 E C 0.963 177.563 176.600 -0.000 0.000 1.026 462 E CA 0.855 57.257 56.400 0.002 0.000 0.862 462 E CB -0.173 29.526 29.700 -0.002 0.000 0.799 462 E HN 0.470 nan 8.360 nan 0.000 0.518 463 D N 0.197 120.597 120.400 -0.001 0.000 2.363 463 D HA 0.034 4.659 4.640 -0.025 0.000 0.214 463 D C -0.320 175.975 176.300 -0.010 0.000 1.093 463 D CA 0.183 54.178 54.000 -0.008 0.000 0.837 463 D CB 0.234 41.025 40.800 -0.015 0.000 0.948 463 D HN 0.180 nan 8.370 nan 0.000 0.507 464 Q N 1.139 120.939 119.800 -0.000 0.000 2.348 464 Q HA 0.371 4.696 4.340 -0.025 0.000 0.265 464 Q C -2.527 173.476 176.000 0.005 0.000 0.998 464 Q CA -1.977 53.828 55.803 0.002 0.000 0.831 464 Q CB 1.962 30.712 28.738 0.020 0.000 1.251 464 Q HN -0.120 nan 8.270 nan 0.000 0.456 465 P HA 0.079 nan 4.420 nan 0.000 0.264 465 P C -0.172 177.130 177.300 0.003 0.000 1.183 465 P CA 0.488 63.587 63.100 -0.001 0.000 0.763 465 P CB 0.658 32.355 31.700 -0.004 0.000 0.807 466 G N 1.591 110.390 108.800 -0.000 0.000 2.315 466 G HA2 0.282 4.227 3.960 -0.025 0.000 0.294 466 G HA3 0.282 4.227 3.960 -0.025 0.000 0.294 466 G C -1.718 173.178 174.900 -0.007 0.000 1.300 466 G CA -0.787 44.312 45.100 -0.001 0.000 0.843 466 G HN 0.378 nan 8.290 nan 0.000 0.527 467 I N 1.145 121.709 120.570 -0.010 0.000 2.315 467 I HA 0.353 4.508 4.170 -0.025 0.000 0.291 467 I C 0.405 176.511 176.117 -0.019 0.000 1.006 467 I CA -0.876 60.416 61.300 -0.014 0.000 1.265 467 I CB 1.534 39.525 38.000 -0.015 0.000 1.387 467 I HN 0.200 nan 8.210 nan 0.000 0.475 468 V N 6.819 126.722 119.914 -0.018 0.000 2.614 468 V HA 0.201 4.307 4.120 -0.025 0.000 0.291 468 V C 0.741 176.818 176.094 -0.027 0.000 1.049 468 V CA -0.726 61.560 62.300 -0.024 0.000 1.038 468 V CB 0.586 32.398 31.823 -0.019 0.000 0.980 468 V HN 0.600 nan 8.190 nan 0.000 0.481 469 R N 2.599 123.075 120.500 -0.039 0.000 2.316 469 R HA 0.208 4.534 4.340 -0.025 0.000 0.314 469 R C 0.259 176.542 176.300 -0.028 0.000 1.069 469 R CA -0.091 55.983 56.100 -0.043 0.000 0.959 469 R CB 0.327 30.585 30.300 -0.070 0.000 0.987 469 R HN 0.739 nan 8.270 nan 0.000 0.446 470 T N 3.619 118.165 114.554 -0.014 0.000 2.934 470 T HA -0.040 4.295 4.350 -0.025 0.000 0.306 470 T C 0.848 175.556 174.700 0.012 0.000 1.042 470 T CA 0.235 62.337 62.100 0.004 0.000 1.145 470 T CB 0.368 69.247 68.868 0.018 0.000 0.982 470 T HN 0.291 nan 8.240 nan 0.000 0.544 471 R N 3.639 124.149 120.500 0.017 0.000 2.288 471 R HA 0.316 4.641 4.340 -0.025 0.000 0.330 471 R C -0.659 175.677 176.300 0.059 0.000 1.069 471 R CA -0.113 56.004 56.100 0.028 0.000 0.941 471 R CB -0.110 30.202 30.300 0.019 0.000 0.998 471 R HN 0.591 nan 8.270 nan 0.000 0.452 472 I N 5.522 126.146 120.570 0.091 0.000 2.389 472 I HA 0.228 4.383 4.170 -0.025 0.000 0.288 472 I C -0.557 175.654 176.117 0.156 0.000 0.999 472 I CA -1.132 60.248 61.300 0.133 0.000 1.129 472 I CB 2.039 40.138 38.000 0.165 0.000 1.288 472 I HN 0.306 nan 8.210 nan 0.000 0.444 473 V N 6.886 126.872 119.914 0.120 0.000 2.407 473 V HA 0.481 4.586 4.120 -0.025 0.000 0.278 473 V C 0.254 176.408 176.094 0.100 0.000 1.037 473 V CA -0.684 61.688 62.300 0.120 0.000 0.900 473 V CB 1.206 33.078 31.823 0.082 0.000 0.983 473 V HN 0.623 nan 8.190 nan 0.000 0.459 474 R N 1.985 122.552 120.500 0.112 0.000 2.787 474 R HA 0.583 4.909 4.340 -0.025 0.000 0.271 474 R C -0.967 175.336 176.300 0.005 0.000 0.993 474 R CA -0.942 55.134 56.100 -0.040 0.000 0.993 474 R CB 2.068 32.202 30.300 -0.277 0.000 1.155 474 R HN 0.892 nan 8.270 nan 0.000 0.486 475 H N 0.344 119.265 119.070 -0.248 0.000 2.600 475 H HA 0.547 5.088 4.556 -0.025 0.000 0.357 475 H C -1.481 173.666 175.328 -0.302 0.000 1.106 475 H CA -0.454 55.521 56.048 -0.122 0.000 1.193 475 H CB 0.842 30.559 29.762 -0.074 0.000 1.594 475 H HN 0.373 nan 8.280 nan 0.000 0.526 476 F N 2.668 122.286 119.950 -0.554 0.000 2.540 476 F HA 0.209 4.721 4.527 -0.026 0.000 0.317 476 F C 0.653 176.161 175.800 -0.487 0.000 1.104 476 F CA -0.716 57.078 58.000 -0.344 0.000 0.913 476 F CB 2.114 41.035 39.000 -0.131 0.000 1.170 476 F HN 0.600 nan 8.300 nan 0.000 0.450 477 D N 0.412 120.782 120.400 -0.049 0.000 2.234 477 D HA 0.019 4.644 4.640 -0.025 0.000 0.205 477 D C 0.448 176.751 176.300 0.006 0.000 0.962 477 D CA 1.046 55.045 54.000 -0.000 0.000 0.855 477 D CB 0.353 41.196 40.800 0.072 0.000 0.951 477 D HN 0.443 nan 8.370 nan 0.000 0.500 478 S N -2.028 113.684 115.700 0.019 0.000 2.636 478 S HA 0.584 5.040 4.470 -0.025 0.000 0.266 478 S C 0.536 175.088 174.600 -0.079 0.000 1.147 478 S CA -0.255 57.915 58.200 -0.050 0.000 0.815 478 S CB 1.354 64.509 63.200 -0.074 0.000 1.119 478 S HN -0.086 nan 8.310 nan 0.000 0.470 479 A N 0.320 123.072 122.820 -0.114 0.000 2.014 479 A HA 0.118 4.423 4.320 -0.025 0.000 0.218 479 A C 1.665 179.205 177.584 -0.074 0.000 1.163 479 A CA 0.850 52.793 52.037 -0.156 0.000 0.652 479 A CB -1.028 17.987 19.000 0.024 0.000 0.808 479 A HN 0.860 nan 8.150 nan 0.000 0.449 480 W N 0.622 121.805 121.300 -0.195 0.000 2.358 480 W HA -0.182 4.465 4.660 -0.023 0.000 0.303 480 W C 2.095 178.589 176.519 -0.043 0.000 1.208 480 W CA 1.796 59.081 57.345 -0.099 0.000 1.274 480 W CB 0.039 29.428 29.460 -0.119 0.000 1.138 480 W HN 0.598 nan 8.180 nan 0.000 0.515 481 E N 0.393 120.662 120.200 0.115 0.000 2.047 481 E HA -0.228 4.107 4.350 -0.025 0.000 0.191 481 E C 2.357 178.942 176.600 -0.025 0.000 0.987 481 E CA 1.274 57.758 56.400 0.139 0.000 0.799 481 E CB -0.520 29.321 29.700 0.235 0.000 0.752 481 E HN 0.262 nan 8.360 nan 0.000 0.449 482 L N 0.583 121.612 121.223 -0.323 0.000 2.012 482 L HA -0.232 4.094 4.340 -0.025 0.000 0.210 482 L C 2.879 179.245 176.870 -0.841 0.000 1.073 482 L CA 1.555 55.933 54.840 -0.770 0.000 0.748 482 L CB -0.399 40.846 42.059 -1.357 0.000 0.891 482 L HN 0.345 nan 8.230 nan 0.000 0.431 483 M N -1.073 118.153 119.600 -0.623 0.000 2.117 483 M HA -0.262 4.203 4.480 -0.025 0.000 0.262 483 M C 2.322 178.420 176.300 -0.337 0.000 1.065 483 M CA 1.906 56.999 55.300 -0.345 0.000 1.114 483 M CB -0.141 32.339 32.600 -0.200 0.000 1.361 483 M HN 0.207 nan 8.290 nan 0.000 0.408 484 F N 1.088 120.797 119.950 -0.403 0.000 2.113 484 F HA -0.175 4.338 4.527 -0.023 0.000 0.297 484 F C 2.274 177.894 175.800 -0.300 0.000 1.103 484 F CA 2.204 60.022 58.000 -0.303 0.000 1.248 484 F CB -0.645 38.206 39.000 -0.247 0.000 0.999 484 F HN 0.269 nan 8.300 nan 0.000 0.475 485 E N -0.066 119.836 120.200 -0.495 0.000 2.106 485 E HA -0.289 4.046 4.350 -0.025 0.000 0.192 485 E C 2.029 178.166 176.600 -0.772 0.000 0.984 485 E CA 1.266 57.356 56.400 -0.517 0.000 0.806 485 E CB -0.381 29.349 29.700 0.050 0.000 0.750 485 E HN 0.491 nan 8.360 nan 0.000 0.458 486 N N 0.252 118.211 118.700 -1.236 0.000 2.149 486 N HA -0.173 4.553 4.740 -0.025 0.000 0.188 486 N C 1.536 176.727 175.510 -0.531 0.000 1.019 486 N CA 1.715 53.942 53.050 -1.372 0.000 0.857 486 N CB -0.154 37.600 38.487 -1.221 0.000 0.997 486 N HN 0.200 nan 8.380 nan 0.000 0.426 487 A N 0.810 123.338 122.820 -0.487 0.000 1.872 487 A HA 0.024 4.329 4.320 -0.025 0.000 0.214 487 A C 2.174 179.528 177.584 -0.384 0.000 1.187 487 A CA 1.256 53.090 52.037 -0.338 0.000 0.614 487 A CB -0.895 17.926 19.000 -0.298 0.000 0.826 487 A HN 0.562 nan 8.150 nan 0.000 0.442 488 I N -0.986 119.225 120.570 -0.598 0.000 3.291 488 I HA -0.049 4.106 4.170 -0.025 0.000 0.279 488 I C 1.999 177.685 176.117 -0.717 0.000 1.294 488 I CA 1.310 62.181 61.300 -0.716 0.000 1.428 488 I CB -0.327 37.032 38.000 -1.068 0.000 1.070 488 I HN 0.275 nan 8.210 nan 0.000 0.478 489 S N 1.984 117.462 115.700 -0.369 0.000 2.382 489 S HA -0.099 4.356 4.470 -0.025 0.000 0.228 489 S C 2.059 176.598 174.600 -0.101 0.000 1.027 489 S CA 0.473 58.634 58.200 -0.066 0.000 0.991 489 S CB -0.351 62.952 63.200 0.172 0.000 0.823 489 S HN 0.471 nan 8.310 nan 0.000 0.469 490 R N 1.194 121.605 120.500 -0.149 0.000 2.189 490 R HA 0.277 4.602 4.340 -0.025 0.000 0.218 490 R C 2.137 178.369 176.300 -0.114 0.000 1.074 490 R CA 0.766 56.812 56.100 -0.089 0.000 0.991 490 R CB -1.083 29.269 30.300 0.087 0.000 0.883 490 R HN 0.537 nan 8.270 nan 0.000 0.457 491 I N -0.201 120.231 120.570 -0.230 0.000 2.286 491 I HA -0.171 3.984 4.170 -0.025 0.000 0.245 491 I C 1.783 177.821 176.117 -0.133 0.000 1.104 491 I CA 1.212 62.380 61.300 -0.220 0.000 1.397 491 I CB -0.290 37.520 38.000 -0.316 0.000 1.072 491 I HN -0.022 nan 8.210 nan 0.000 0.417 492 F N 0.379 120.317 119.950 -0.019 0.000 2.293 492 F HA -0.106 4.405 4.527 -0.026 0.000 0.300 492 F C 2.159 177.934 175.800 -0.043 0.000 1.086 492 F CA 0.530 58.520 58.000 -0.017 0.000 1.375 492 F CB -0.158 38.815 39.000 -0.046 0.000 1.045 492 F HN -0.008 nan 8.300 nan 0.000 0.516 493 L N -0.357 120.908 121.223 0.070 0.000 2.492 493 L HA 0.142 4.468 4.340 -0.025 0.000 0.223 493 L C 1.877 178.689 176.870 -0.097 0.000 1.132 493 L CA 0.763 55.580 54.840 -0.039 0.000 0.850 493 L CB -0.765 41.233 42.059 -0.103 0.000 0.966 493 L HN 0.411 nan 8.230 nan 0.000 0.454 494 G N 0.225 108.993 108.800 -0.053 0.000 2.162 494 G HA2 -0.305 3.640 3.960 -0.025 0.000 0.260 494 G HA3 -0.305 3.640 3.960 -0.025 0.000 0.260 494 G C 0.871 175.670 174.900 -0.169 0.000 0.976 494 G CA 0.609 45.687 45.100 -0.037 0.000 0.655 494 G HN 0.332 nan 8.290 nan 0.000 0.533 495 V N -3.654 116.109 119.914 -0.251 0.000 3.608 495 V HA 0.426 4.531 4.120 -0.025 0.000 0.269 495 V C 0.799 176.538 176.094 -0.590 0.000 1.245 495 V CA 0.881 62.939 62.300 -0.403 0.000 1.138 495 V CB -0.167 31.390 31.823 -0.443 0.000 0.841 495 V HN 0.432 nan 8.190 nan 0.000 0.451 496 H N -1.479 117.471 119.070 -0.200 0.000 2.851 496 H HA 0.419 4.961 4.556 -0.023 0.000 0.372 496 H C -1.417 173.779 175.328 -0.220 0.000 1.158 496 H CA -1.264 54.691 56.048 -0.153 0.000 1.159 496 H CB 1.309 31.030 29.762 -0.069 0.000 1.757 496 H HN 0.368 nan 8.280 nan 0.000 0.546 497 W N 2.933 124.214 121.300 -0.032 0.000 2.161 497 W HA 0.202 4.851 4.660 -0.018 0.000 0.344 497 W C 2.029 178.284 176.519 -0.439 0.000 1.262 497 W CA -0.637 56.480 57.345 -0.380 0.000 1.270 497 W CB 0.957 29.878 29.460 -0.899 0.000 1.126 497 W HN 0.649 nan 8.180 nan 0.000 0.598 498 R N 0.963 121.346 120.500 -0.195 0.000 2.103 498 R HA -0.256 4.069 4.340 -0.025 0.000 0.242 498 R C 1.535 177.802 176.300 -0.055 0.000 1.142 498 R CA 2.196 58.230 56.100 -0.110 0.000 0.960 498 R CB -1.451 28.815 30.300 -0.057 0.000 0.858 498 R HN 0.628 nan 8.270 nan 0.000 0.439 499 F N 1.248 121.288 119.950 0.150 0.000 2.546 499 F HA 0.125 4.639 4.527 -0.022 0.000 0.298 499 F C 0.959 176.885 175.800 0.211 0.000 1.120 499 F CA 0.166 58.236 58.000 0.116 0.000 1.456 499 F CB -0.443 38.556 39.000 -0.002 0.000 1.088 499 F HN -0.127 nan 8.300 nan 0.000 0.572 500 D N 1.161 121.717 120.400 0.259 0.000 2.224 500 D HA -0.014 4.611 4.640 -0.025 0.000 0.205 500 D C 2.257 178.512 176.300 -0.074 0.000 0.965 500 D CA 1.317 55.425 54.000 0.180 0.000 0.852 500 D CB -0.213 40.642 40.800 0.091 0.000 0.947 500 D HN 0.428 nan 8.370 nan 0.000 0.494 501 A N 0.202 122.995 122.820 -0.045 0.000 1.844 501 A HA 0.548 4.853 4.320 -0.025 0.000 0.212 501 A C 1.099 178.657 177.584 -0.043 0.000 1.221 501 A CA 1.335 53.315 52.037 -0.094 0.000 0.607 501 A CB 0.035 18.984 19.000 -0.085 0.000 0.878 501 A HN 0.248 nan 8.150 nan 0.000 0.451 502 A N -2.818 120.039 122.820 0.063 0.000 2.536 502 A HA 0.648 4.954 4.320 -0.025 0.000 0.293 502 A C -0.242 177.439 177.584 0.161 0.000 1.119 502 A CA -0.150 51.962 52.037 0.125 0.000 0.654 502 A CB -0.333 18.815 19.000 0.246 0.000 1.291 502 A HN 1.691 nan 8.150 nan 0.000 0.439 503 A N -0.021 122.897 122.820 0.163 0.000 2.520 503 A HA 0.519 4.824 4.320 -0.025 0.000 0.245 503 A C 1.478 179.097 177.584 0.059 0.000 1.072 503 A CA 0.681 52.795 52.037 0.127 0.000 0.761 503 A CB -0.300 18.768 19.000 0.113 0.000 1.004 503 A HN 2.341 nan 8.150 nan 0.000 0.499 504 A N 2.493 125.317 122.820 0.007 0.000 1.917 504 A HA -0.211 4.094 4.320 -0.025 0.000 0.219 504 A C 2.162 179.493 177.584 -0.422 0.000 1.182 504 A CA 1.952 53.836 52.037 -0.255 0.000 0.633 504 A CB -0.468 18.344 19.000 -0.313 0.000 0.819 504 A HN 0.948 nan 8.150 nan 0.000 0.448 505 R N -0.573 119.854 120.500 -0.123 0.000 2.159 505 R HA -0.172 4.153 4.340 -0.025 0.000 0.237 505 R C 0.831 177.130 176.300 -0.001 0.000 1.131 505 R CA 1.763 57.892 56.100 0.048 0.000 0.982 505 R CB -0.201 30.191 30.300 0.153 0.000 0.868 505 R HN 0.496 nan 8.270 nan 0.000 0.453 506 D N -0.450 119.938 120.400 -0.020 0.000 2.305 506 D HA -0.036 4.589 4.640 -0.025 0.000 0.206 506 D C 1.619 177.866 176.300 -0.088 0.000 0.974 506 D CA 1.023 54.992 54.000 -0.052 0.000 0.871 506 D CB 0.276 41.059 40.800 -0.029 0.000 0.947 506 D HN 0.526 nan 8.370 nan 0.000 0.516 507 I N -3.231 117.318 120.570 -0.035 0.000 4.312 507 I HA 0.198 4.353 4.170 -0.025 0.000 0.324 507 I C 0.425 176.569 176.117 0.044 0.000 1.298 507 I CA -0.143 61.203 61.300 0.077 0.000 1.231 507 I CB 0.377 38.574 38.000 0.328 0.000 1.152 507 I HN -0.273 nan 8.210 nan 0.000 0.421 508 L N 2.009 123.124 121.223 -0.179 0.000 2.387 508 L HA 0.479 4.804 4.340 -0.025 0.000 0.266 508 L C -0.188 176.671 176.870 -0.018 0.000 1.059 508 L CA -1.021 53.664 54.840 -0.258 0.000 0.801 508 L CB 1.894 43.552 42.059 -0.668 0.000 1.223 508 L HN -0.028 nan 8.230 nan 0.000 0.456 509 I N 3.469 124.086 120.570 0.077 0.000 2.312 509 I HA 0.223 4.378 4.170 -0.025 0.000 0.291 509 I C -1.879 174.403 176.117 0.275 0.000 1.031 509 I CA -2.019 59.367 61.300 0.145 0.000 1.293 509 I CB 0.800 38.849 38.000 0.082 0.000 1.403 509 I HN 0.252 nan 8.210 nan 0.000 0.484 510 P HA 0.192 nan 4.420 nan 0.000 0.274 510 P C -0.234 177.051 177.300 -0.024 0.000 1.246 510 P CA 0.013 63.156 63.100 0.072 0.000 0.795 510 P CB 1.129 32.864 31.700 0.059 0.000 1.006 511 T N -4.051 110.429 114.554 -0.124 0.000 2.807 511 T HA 0.342 4.678 4.350 -0.025 0.000 0.277 511 T C 1.304 175.952 174.700 -0.087 0.000 1.006 511 T CA 0.007 62.058 62.100 -0.081 0.000 1.006 511 T CB 0.131 68.948 68.868 -0.085 0.000 1.274 511 T HN 0.449 nan 8.240 nan 0.000 0.569 512 T N -1.565 112.953 114.554 -0.060 0.000 3.072 512 T HA 0.134 4.469 4.350 -0.025 0.000 0.266 512 T C 0.728 175.390 174.700 -0.064 0.000 1.127 512 T CA 0.409 62.479 62.100 -0.051 0.000 1.107 512 T CB -0.774 68.075 68.868 -0.032 0.000 0.910 512 T HN 0.651 nan 8.240 nan 0.000 0.513 513 T N 2.596 117.099 114.554 -0.085 0.000 2.806 513 T HA 0.324 4.659 4.350 -0.025 0.000 0.290 513 T C -0.157 174.463 174.700 -0.134 0.000 0.966 513 T CA -0.759 61.289 62.100 -0.087 0.000 1.060 513 T CB 1.626 70.450 68.868 -0.073 0.000 0.927 513 T HN 0.203 nan 8.240 nan 0.000 0.485 514 K N 2.320 122.659 120.400 -0.101 0.000 2.412 514 K HA -0.004 4.301 4.320 -0.025 0.000 0.281 514 K C -0.020 176.501 176.600 -0.133 0.000 1.027 514 K CA 0.073 56.293 56.287 -0.113 0.000 0.989 514 K CB 0.248 32.714 32.500 -0.056 0.000 0.935 514 K HN 0.652 nan 8.250 nan 0.000 0.475 515 D N 0.690 120.972 120.400 -0.197 0.000 3.059 515 D HA -0.156 4.469 4.640 -0.025 0.000 0.220 515 D C -0.793 175.391 176.300 -0.193 0.000 1.169 515 D CA 0.761 54.685 54.000 -0.128 0.000 0.902 515 D CB -1.071 39.747 40.800 0.029 0.000 1.116 515 D HN 0.169 nan 8.370 nan 0.000 0.417 516 V N 1.259 120.934 119.914 -0.399 0.000 2.407 516 V HA 0.379 4.485 4.120 -0.025 0.000 0.291 516 V C 0.043 175.868 176.094 -0.447 0.000 1.018 516 V CA -0.813 61.338 62.300 -0.247 0.000 0.842 516 V CB 1.169 32.920 31.823 -0.120 0.000 0.996 516 V HN -0.047 nan 8.190 nan 0.000 0.426 517 Y N 2.002 122.295 120.300 -0.012 0.000 2.432 517 Y HA 0.701 5.236 4.550 -0.025 0.000 0.322 517 Y C 0.893 176.771 175.900 -0.037 0.000 1.246 517 Y CA -0.613 57.469 58.100 -0.030 0.000 1.268 517 Y CB 0.944 39.373 38.460 -0.052 0.000 1.276 517 Y HN 0.700 nan 8.280 nan 0.000 0.499 518 A N 1.161 124.046 122.820 0.108 0.000 2.498 518 A HA 0.455 4.760 4.320 -0.025 0.000 0.239 518 A C -0.514 177.088 177.584 0.031 0.000 1.068 518 A CA -0.147 51.919 52.037 0.049 0.000 0.766 518 A CB -0.164 18.864 19.000 0.047 0.000 1.003 518 A HN 0.522 nan 8.150 nan 0.000 0.497 519 V N 2.684 122.613 119.914 0.026 0.000 2.914 519 V HA 0.374 4.479 4.120 -0.025 0.000 0.314 519 V C -0.161 175.953 176.094 0.033 0.000 1.084 519 V CA -0.366 61.950 62.300 0.027 0.000 0.963 519 V CB 2.125 33.962 31.823 0.023 0.000 1.025 519 V HN 1.167 nan 8.190 nan 0.000 0.432 520 D N 2.278 122.704 120.400 0.043 0.000 2.453 520 D HA 0.141 4.766 4.640 -0.025 0.000 0.282 520 D C 0.961 177.282 176.300 0.034 0.000 1.222 520 D CA -0.150 53.876 54.000 0.043 0.000 1.079 520 D CB 0.166 41.001 40.800 0.057 0.000 1.128 520 D HN 0.443 nan 8.370 nan 0.000 0.568 521 N N 0.278 118.997 118.700 0.032 0.000 2.080 521 N HA -0.172 4.554 4.740 -0.025 0.000 0.189 521 N C 1.224 176.750 175.510 0.026 0.000 1.036 521 N CA 1.102 54.167 53.050 0.025 0.000 0.846 521 N CB -0.704 37.796 38.487 0.022 0.000 1.015 521 N HN 0.599 nan 8.380 nan 0.000 0.423 522 N N 0.975 119.695 118.700 0.032 0.000 2.609 522 N HA -0.063 4.662 4.740 -0.025 0.000 0.190 522 N C 1.087 176.618 175.510 0.036 0.000 1.157 522 N CA 1.097 54.167 53.050 0.033 0.000 0.918 522 N CB -0.092 38.416 38.487 0.036 0.000 0.978 522 N HN 0.437 nan 8.380 nan 0.000 0.448 523 G N -0.627 108.194 108.800 0.036 0.000 2.141 523 G HA2 -0.195 3.750 3.960 -0.025 0.000 0.242 523 G HA3 -0.195 3.750 3.960 -0.025 0.000 0.242 523 G C 0.132 175.061 174.900 0.049 0.000 0.982 523 G CA 0.129 45.250 45.100 0.035 0.000 0.662 523 G HN 0.814 nan 8.290 nan 0.000 0.527 524 A N 0.064 122.923 122.820 0.065 0.000 2.316 524 A HA 0.759 5.064 4.320 -0.025 0.000 0.284 524 A C 0.796 178.430 177.584 0.084 0.000 1.115 524 A CA 0.707 52.801 52.037 0.094 0.000 0.812 524 A CB 0.494 19.566 19.000 0.121 0.000 1.064 524 A HN 0.743 nan 8.150 nan 0.000 0.489 525 T N 1.477 116.079 114.554 0.081 0.000 2.916 525 T HA 0.349 4.684 4.350 -0.025 0.000 0.303 525 T C 0.117 174.780 174.700 -0.062 0.000 1.025 525 T CA 0.171 62.243 62.100 -0.048 0.000 1.142 525 T CB 0.221 68.982 68.868 -0.179 0.000 0.947 525 T HN 0.403 nan 8.240 nan 0.000 0.544 526 V N 4.913 124.761 119.914 -0.109 0.000 2.427 526 V HA 0.462 4.567 4.120 -0.025 0.000 0.286 526 V C -0.293 175.723 176.094 -0.131 0.000 1.034 526 V CA -0.724 61.580 62.300 0.006 0.000 0.893 526 V CB 0.683 32.543 31.823 0.061 0.000 0.982 526 V HN 0.690 nan 8.190 nan 0.000 0.452 527 F N 1.820 121.867 119.950 0.162 0.000 2.432 527 F HA 0.478 4.989 4.527 -0.027 0.000 0.329 527 F C 0.830 176.689 175.800 0.098 0.000 1.076 527 F CA -0.579 57.525 58.000 0.173 0.000 1.018 527 F CB 1.007 40.205 39.000 0.329 0.000 1.201 527 F HN 0.426 nan 8.300 nan 0.000 0.489 528 Q N 1.096 121.016 119.800 0.200 0.000 2.417 528 Q HA 0.121 4.446 4.340 -0.025 0.000 0.241 528 Q C -0.517 175.476 176.000 -0.013 0.000 1.008 528 Q CA -0.595 55.237 55.803 0.049 0.000 0.901 528 Q CB 0.419 29.136 28.738 -0.036 0.000 1.259 528 Q HN 0.455 nan 8.270 nan 0.000 0.489 529 N N 0.321 119.009 118.700 -0.020 0.000 2.492 529 N HA -0.040 4.685 4.740 -0.025 0.000 0.260 529 N C 0.882 176.301 175.510 -0.151 0.000 1.215 529 N CA -0.021 53.007 53.050 -0.036 0.000 0.923 529 N CB 0.914 39.400 38.487 -0.001 0.000 1.092 529 N HN 0.341 nan 8.380 nan 0.000 0.448 530 V N 2.186 121.990 119.914 -0.184 0.000 2.392 530 V HA -0.253 3.852 4.120 -0.025 0.000 0.249 530 V C 1.560 177.671 176.094 0.029 0.000 1.059 530 V CA 1.748 63.912 62.300 -0.227 0.000 1.051 530 V CB -0.461 31.327 31.823 -0.058 0.000 0.658 530 V HN 0.610 nan 8.190 nan 0.000 0.455 531 E N -0.041 120.176 120.200 0.029 0.000 2.265 531 E HA -0.161 4.175 4.350 -0.025 0.000 0.196 531 E C 1.631 178.238 176.600 0.012 0.000 0.996 531 E CA 1.153 57.570 56.400 0.029 0.000 0.832 531 E CB -0.200 29.502 29.700 0.004 0.000 0.756 531 E HN 0.613 nan 8.360 nan 0.000 0.491 532 D N -0.415 119.981 120.400 -0.006 0.000 2.367 532 D HA 0.084 4.709 4.640 -0.025 0.000 0.207 532 D C 0.264 176.548 176.300 -0.026 0.000 1.034 532 D CA 0.008 53.997 54.000 -0.018 0.000 0.861 532 D CB 0.364 41.148 40.800 -0.026 0.000 0.943 532 D HN 0.192 nan 8.370 nan 0.000 0.515 533 I N 2.328 122.875 120.570 -0.038 0.000 2.533 533 I HA 0.026 4.181 4.170 -0.025 0.000 0.284 533 I C 0.294 176.393 176.117 -0.031 0.000 1.109 533 I CA 0.268 61.473 61.300 -0.158 0.000 1.412 533 I CB 0.342 38.076 38.000 -0.443 0.000 1.396 533 I HN -0.392 nan 8.210 nan 0.000 0.543 534 R N 6.249 126.644 120.500 -0.174 0.000 2.502 534 R HA 0.256 4.581 4.340 -0.025 0.000 0.300 534 R C -1.239 174.946 176.300 -0.191 0.000 0.984 534 R CA -0.886 55.184 56.100 -0.049 0.000 0.882 534 R CB 0.981 31.296 30.300 0.025 0.000 1.180 534 R HN 0.466 nan 8.270 nan 0.000 0.444 535 Y N 1.588 121.988 120.300 0.168 0.000 2.734 535 Y HA -0.002 4.533 4.550 -0.025 0.000 0.353 535 Y C 1.730 177.683 175.900 0.088 0.000 1.244 535 Y CA 0.081 58.235 58.100 0.089 0.000 1.950 535 Y CB 0.069 38.565 38.460 0.060 0.000 2.028 535 Y HN 0.564 nan 8.280 nan 0.000 0.421 536 T N -4.721 109.916 114.554 0.138 0.000 3.001 536 T HA 0.052 4.387 4.350 -0.025 0.000 0.251 536 T C 0.690 175.445 174.700 0.091 0.000 1.040 536 T CA -0.128 62.037 62.100 0.108 0.000 0.985 536 T CB 0.010 68.921 68.868 0.072 0.000 1.011 536 T HN 0.183 nan 8.240 nan 0.000 0.509 537 T N 4.438 119.049 114.554 0.094 0.000 2.738 537 T HA 0.366 4.701 4.350 -0.025 0.000 0.293 537 T C 0.150 174.905 174.700 0.092 0.000 0.913 537 T CA -0.508 61.643 62.100 0.084 0.000 1.103 537 T CB 0.411 69.328 68.868 0.082 0.000 0.880 537 T HN 0.305 nan 8.240 nan 0.000 0.526 538 R N 2.012 122.558 120.500 0.076 0.000 2.797 538 R HA 0.847 5.172 4.340 -0.025 0.000 0.251 538 R C 0.338 176.685 176.300 0.078 0.000 1.107 538 R CA -0.971 55.180 56.100 0.085 0.000 1.084 538 R CB 1.309 31.646 30.300 0.061 0.000 1.205 538 R HN 0.693 nan 8.270 nan 0.000 0.515 539 G N -0.420 108.447 108.800 0.112 0.000 2.727 539 G HA2 0.457 4.402 3.960 -0.025 0.000 0.289 539 G HA3 0.457 4.402 3.960 -0.025 0.000 0.289 539 G C -0.906 174.102 174.900 0.180 0.000 1.418 539 G CA -0.532 44.624 45.100 0.093 0.000 0.818 539 G HN 0.566 nan 8.290 nan 0.000 0.486 540 T N -1.832 112.795 114.554 0.122 0.000 2.912 540 T HA 0.769 5.105 4.350 -0.025 0.000 0.280 540 T C -0.094 174.665 174.700 0.099 0.000 0.989 540 T CA -0.678 61.525 62.100 0.172 0.000 0.995 540 T CB 1.907 70.823 68.868 0.080 0.000 1.077 540 T HN 0.515 nan 8.240 nan 0.000 0.531 541 R N 0.087 120.632 120.500 0.075 0.000 2.686 541 R HA 0.313 4.638 4.340 -0.025 0.000 0.286 541 R C 1.065 177.344 176.300 -0.034 0.000 0.969 541 R CA -0.714 55.339 56.100 -0.078 0.000 0.898 541 R CB 2.084 32.147 30.300 -0.397 0.000 1.183 541 R HN 0.990 nan 8.270 nan 0.000 0.456 542 E N 1.467 121.644 120.200 -0.039 0.000 2.047 542 E HA -0.208 4.127 4.350 -0.025 0.000 0.191 542 E C 0.766 177.341 176.600 -0.042 0.000 0.987 542 E CA 1.905 58.285 56.400 -0.033 0.000 0.799 542 E CB 0.238 29.920 29.700 -0.030 0.000 0.752 542 E HN 0.641 nan 8.360 nan 0.000 0.449 543 D N -0.214 120.144 120.400 -0.070 0.000 2.355 543 D HA -0.032 4.593 4.640 -0.025 0.000 0.218 543 D C -0.012 176.227 176.300 -0.102 0.000 1.004 543 D CA 0.454 54.404 54.000 -0.083 0.000 0.880 543 D CB 0.041 40.783 40.800 -0.097 0.000 0.911 543 D HN 0.194 nan 8.370 nan 0.000 0.528 544 E N 0.003 120.142 120.200 -0.102 0.000 2.367 544 E HA 0.258 4.593 4.350 -0.025 0.000 0.273 544 E C -0.693 175.985 176.600 0.130 0.000 0.903 544 E CA -0.836 55.541 56.400 -0.038 0.000 0.764 544 E CB 1.956 31.567 29.700 -0.148 0.000 1.252 544 E HN -0.024 nan 8.360 nan 0.000 0.446 545 E N 0.718 120.997 120.200 0.130 0.000 2.301 545 E HA 0.518 4.853 4.350 -0.025 0.000 0.275 545 E C 0.329 176.983 176.600 0.091 0.000 1.030 545 E CA 0.069 56.533 56.400 0.106 0.000 0.852 545 E CB 1.546 31.263 29.700 0.028 0.000 1.060 545 E HN 0.785 nan 8.360 nan 0.000 0.401 546 G N 1.297 110.116 108.800 0.032 0.000 2.498 546 G HA2 -0.142 3.803 3.960 -0.025 0.000 0.651 546 G HA3 -0.142 3.803 3.960 -0.025 0.000 0.651 546 G C -1.073 173.705 174.900 -0.203 0.000 1.284 546 G CA -0.937 44.067 45.100 -0.161 0.000 0.950 546 G HN 0.346 nan 8.290 nan 0.000 0.511 547 L N -0.373 120.640 121.223 -0.350 0.000 2.322 547 L HA 0.819 5.144 4.340 -0.025 0.000 0.279 547 L C -0.324 176.261 176.870 -0.476 0.000 1.036 547 L CA -0.698 54.022 54.840 -0.201 0.000 0.807 547 L CB 1.287 43.292 42.059 -0.089 0.000 1.226 547 L HN 0.459 nan 8.230 nan 0.000 0.433 548 F N 1.789 121.767 119.950 0.047 0.000 2.588 548 F HA 0.542 5.055 4.527 -0.025 0.000 0.314 548 F C -2.141 173.705 175.800 0.076 0.000 1.069 548 F CA -2.260 55.787 58.000 0.078 0.000 0.931 548 F CB 1.529 40.597 39.000 0.114 0.000 1.260 548 F HN 0.256 nan 8.300 nan 0.000 0.465 549 P HA 0.237 nan 4.420 nan 0.000 0.272 549 P C -0.747 176.656 177.300 0.171 0.000 1.240 549 P CA 0.124 63.327 63.100 0.170 0.000 0.791 549 P CB 1.287 33.063 31.700 0.126 0.000 0.978 550 I N 0.222 120.875 120.570 0.138 0.000 2.406 550 I HA 0.562 4.717 4.170 -0.025 0.000 0.290 550 I C 0.710 176.900 176.117 0.123 0.000 0.999 550 I CA -0.125 61.273 61.300 0.165 0.000 1.124 550 I CB 1.260 39.347 38.000 0.145 0.000 1.289 550 I HN 0.677 nan 8.210 nan 0.000 0.441 551 G N 3.725 112.567 108.800 0.070 0.000 2.746 551 G HA2 -0.105 3.840 3.960 -0.025 0.000 0.685 551 G HA3 -0.105 3.840 3.960 -0.025 0.000 0.685 551 G C 0.544 175.317 174.900 -0.213 0.000 1.350 551 G CA -0.325 44.732 45.100 -0.072 0.000 0.837 551 G HN 0.944 nan 8.290 nan 0.000 0.564 552 G N -1.123 107.524 108.800 -0.255 0.000 2.403 552 G HA2 0.179 4.124 3.960 -0.025 0.000 0.216 552 G HA3 0.179 4.124 3.960 -0.025 0.000 0.216 552 G C 1.952 176.694 174.900 -0.262 0.000 1.154 552 G CA 2.095 47.035 45.100 -0.268 0.000 0.784 552 G HN 1.367 nan 8.290 nan 0.000 0.538 553 V N 2.195 121.928 119.914 -0.302 0.000 2.231 553 V HA -0.158 3.948 4.120 -0.025 0.000 0.248 553 V C 0.406 176.245 176.094 -0.425 0.000 1.054 553 V CA 2.534 64.565 62.300 -0.447 0.000 1.015 553 V CB -1.111 30.282 31.823 -0.716 0.000 0.638 553 V HN 0.301 nan 8.190 nan 0.000 0.444 554 P HA -0.133 nan 4.420 nan 0.000 0.217 554 P C 1.846 179.082 177.300 -0.106 0.000 1.150 554 P CA 1.082 64.086 63.100 -0.160 0.000 0.832 554 P CB -0.073 31.612 31.700 -0.025 0.000 0.787 555 L N -0.096 121.052 121.223 -0.126 0.000 2.017 555 L HA -0.019 4.307 4.340 -0.025 0.000 0.208 555 L C 2.265 179.033 176.870 -0.171 0.000 1.073 555 L CA 2.456 57.224 54.840 -0.120 0.000 0.745 555 L CB -1.659 40.321 42.059 -0.131 0.000 0.894 555 L HN -0.043 nan 8.230 nan 0.000 0.432 556 G N -0.343 108.342 108.800 -0.192 0.000 2.418 556 G HA2 -0.223 3.722 3.960 -0.025 0.000 0.217 556 G HA3 -0.223 3.722 3.960 -0.025 0.000 0.217 556 G C 1.648 176.459 174.900 -0.148 0.000 1.158 556 G CA 1.082 46.070 45.100 -0.187 0.000 0.771 556 G HN 0.473 nan 8.290 nan 0.000 0.545 557 I N 0.621 121.113 120.570 -0.131 0.000 2.127 557 I HA -0.203 3.952 4.170 -0.025 0.000 0.241 557 I C 2.706 178.811 176.117 -0.021 0.000 1.075 557 I CA 1.745 63.015 61.300 -0.051 0.000 1.334 557 I CB -0.264 37.728 38.000 -0.012 0.000 1.040 557 I HN 0.346 nan 8.210 nan 0.000 0.405 558 E N 1.525 121.707 120.200 -0.030 0.000 2.085 558 E HA -0.251 4.084 4.350 -0.025 0.000 0.194 558 E C 2.294 178.862 176.600 -0.054 0.000 0.994 558 E CA 1.502 57.905 56.400 0.005 0.000 0.801 558 E CB -0.088 29.634 29.700 0.037 0.000 0.743 558 E HN 0.492 nan 8.360 nan 0.000 0.453 559 I N 0.765 121.210 120.570 -0.209 0.000 2.252 559 I HA -0.217 3.938 4.170 -0.025 0.000 0.245 559 I C 2.570 178.635 176.117 -0.087 0.000 1.102 559 I CA 0.976 62.093 61.300 -0.305 0.000 1.385 559 I CB -0.253 37.525 38.000 -0.369 0.000 1.064 559 I HN 0.217 nan 8.210 nan 0.000 0.414 560 A N 0.243 123.033 122.820 -0.049 0.000 1.898 560 A HA -0.223 4.082 4.320 -0.025 0.000 0.216 560 A C 1.959 179.593 177.584 0.083 0.000 1.181 560 A CA 1.859 53.902 52.037 0.010 0.000 0.620 560 A CB -0.533 18.454 19.000 -0.022 0.000 0.819 560 A HN 0.325 nan 8.150 nan 0.000 0.442 561 D N -0.577 119.868 120.400 0.076 0.000 2.097 561 D HA -0.169 4.456 4.640 -0.025 0.000 0.195 561 D C 1.906 178.309 176.300 0.171 0.000 0.989 561 D CA 1.549 55.625 54.000 0.127 0.000 0.827 561 D CB -0.335 40.525 40.800 0.101 0.000 0.966 561 D HN 0.728 nan 8.370 nan 0.000 0.456 562 E N 0.339 120.619 120.200 0.133 0.000 2.031 562 E HA -0.155 4.180 4.350 -0.025 0.000 0.193 562 E C 2.374 179.060 176.600 0.144 0.000 0.994 562 E CA 0.685 57.169 56.400 0.140 0.000 0.800 562 E CB -0.119 29.681 29.700 0.167 0.000 0.752 562 E HN 0.207 nan 8.360 nan 0.000 0.447 563 I N 0.309 120.966 120.570 0.145 0.000 2.163 563 I HA -0.259 3.896 4.170 -0.025 0.000 0.243 563 I C 2.318 178.529 176.117 0.157 0.000 1.085 563 I CA 1.163 62.553 61.300 0.150 0.000 1.347 563 I CB -0.301 37.783 38.000 0.141 0.000 1.044 563 I HN 0.206 nan 8.210 nan 0.000 0.408 564 F N 2.102 122.080 119.950 0.046 0.000 2.102 564 F HA -0.237 4.276 4.527 -0.024 0.000 0.298 564 F C 2.328 178.153 175.800 0.042 0.000 1.105 564 F CA 1.707 59.732 58.000 0.041 0.000 1.239 564 F CB -0.376 38.650 39.000 0.044 0.000 0.991 564 F HN 0.072 nan 8.300 nan 0.000 0.474 565 N N 0.614 119.431 118.700 0.194 0.000 2.348 565 N HA -0.183 4.542 4.740 -0.025 0.000 0.185 565 N C 0.986 176.488 175.510 -0.014 0.000 1.019 565 N CA 1.300 54.399 53.050 0.082 0.000 0.880 565 N CB -0.681 37.886 38.487 0.133 0.000 0.965 565 N HN 0.518 nan 8.380 nan 0.000 0.437 566 N N -0.174 118.527 118.700 0.002 0.000 2.280 566 N HA 0.057 4.782 4.740 -0.025 0.000 0.192 566 N C 0.501 175.991 175.510 -0.033 0.000 1.109 566 N CA 0.392 53.440 53.050 -0.002 0.000 0.855 566 N CB 0.739 39.249 38.487 0.039 0.000 0.974 566 N HN 0.185 nan 8.380 nan 0.000 0.482 567 G N 1.898 110.632 108.800 -0.110 0.000 2.221 567 G HA2 -0.274 3.671 3.960 -0.025 0.000 0.265 567 G HA3 -0.274 3.671 3.960 -0.025 0.000 0.265 567 G C 0.117 175.000 174.900 -0.029 0.000 1.041 567 G CA 0.251 45.274 45.100 -0.129 0.000 0.807 567 G HN 0.376 nan 8.290 nan 0.000 0.502 568 L N -1.896 119.345 121.223 0.030 0.000 3.425 568 L HA -0.106 4.219 4.340 -0.025 0.000 0.686 568 L C 0.294 177.310 176.870 0.243 0.000 1.147 568 L CA 1.784 56.709 54.840 0.142 0.000 1.187 568 L CB -0.849 41.233 42.059 0.040 0.000 1.670 568 L HN 0.926 nan 8.230 nan 0.000 0.874 569 K N 4.327 124.839 120.400 0.186 0.000 2.426 569 K HA 0.741 5.046 4.320 -0.025 0.000 0.251 569 K C -2.735 173.842 176.600 -0.038 0.000 0.941 569 K CA -2.055 54.219 56.287 -0.021 0.000 0.808 569 K CB 2.514 34.996 32.500 -0.031 0.000 1.265 569 K HN 0.073 nan 8.250 nan 0.000 0.432 570 P HA -0.026 nan 4.420 nan 0.000 0.267 570 P C -0.837 176.476 177.300 0.020 0.000 1.201 570 P CA 0.143 63.114 63.100 -0.214 0.000 0.775 570 P CB 0.364 31.814 31.700 -0.416 0.000 0.854 571 T N 5.214 119.865 114.554 0.161 0.000 2.799 571 T HA 0.178 4.514 4.350 -0.025 0.000 0.296 571 T C -2.064 172.671 174.700 0.058 0.000 0.947 571 T CA -0.953 61.235 62.100 0.147 0.000 1.141 571 T CB -0.383 68.615 68.868 0.216 0.000 0.891 571 T HN 0.330 nan 8.240 nan 0.000 0.533 572 P HA 0.051 nan 4.420 nan 0.000 0.260 572 P C -1.847 175.442 177.300 -0.018 0.000 1.185 572 P CA -1.305 61.761 63.100 -0.055 0.000 0.763 572 P CB 0.372 32.050 31.700 -0.038 0.000 0.776 573 P HA -0.203 nan 4.420 nan 0.000 0.217 573 P C 1.005 178.320 177.300 0.024 0.000 1.148 573 P CA 1.634 64.747 63.100 0.022 0.000 0.828 573 P CB 0.064 31.766 31.700 0.003 0.000 0.783 574 E N 0.341 120.540 120.200 -0.001 0.000 2.209 574 E HA -0.140 4.195 4.350 -0.025 0.000 0.196 574 E C 1.950 178.566 176.600 0.027 0.000 0.993 574 E CA 1.057 57.462 56.400 0.009 0.000 0.819 574 E CB -0.909 28.789 29.700 -0.003 0.000 0.745 574 E HN 0.495 nan 8.360 nan 0.000 0.477 575 I N -2.101 118.493 120.570 0.039 0.000 3.904 575 I HA 0.131 4.286 4.170 -0.025 0.000 0.333 575 I C 0.099 176.262 176.117 0.076 0.000 1.361 575 I CA -0.469 60.867 61.300 0.060 0.000 1.116 575 I CB 0.286 38.328 38.000 0.069 0.000 1.028 575 I HN -0.191 nan 8.210 nan 0.000 0.398 576 Q N 2.590 122.432 119.800 0.069 0.000 2.354 576 Q HA 0.387 4.713 4.340 -0.025 0.000 0.244 576 Q C -2.225 173.803 176.000 0.047 0.000 0.969 576 Q CA -1.618 54.227 55.803 0.070 0.000 0.885 576 Q CB 0.335 29.120 28.738 0.079 0.000 1.241 576 Q HN 0.135 nan 8.270 nan 0.000 0.461 577 P HA 0.090 nan 4.420 nan 0.000 0.268 577 P C -0.537 176.771 177.300 0.013 0.000 1.205 577 P CA 0.681 63.789 63.100 0.013 0.000 0.771 577 P CB 0.565 32.252 31.700 -0.020 0.000 0.858 578 M N 0.000 119.609 119.600 0.014 0.000 2.572 578 M HA 0.000 4.465 4.480 -0.025 0.000 0.227 578 M CA 0.000 55.306 55.300 0.011 0.000 0.988 578 M CB 0.000 32.610 32.600 0.016 0.000 1.302 578 M HN 0.000 nan 8.290 nan 0.000 0.411