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 2w54_1_E DATA FIRST_RESID 1 DATA SEQUENCE MEIAFLLNGE TRRVRIEDPT QSLLEWLRAE GLTGTKEGCN EGDCGACTVM DATA SEQUENCE IRDAAGSRAV NACLMMLPQI AGKALRTIEG IAAPDGRLHP VQQAMIDHHG DATA SEQUENCE SQCGFCTPGF IVSMAAAHDR DRKDYDDLLA GNLCRCTGYA PILRAAEAAA DATA SEQUENCE GEPPADWLQA DAAFTLXXXX XXXXXXXXPA FLPETSDALA DWYLAHPEAT DATA SEQUENCE LIAGGTDVSL WVTKALRDLP EVAFLSHCKD LAQIRETPDG YGIGAGVTIA DATA SEQUENCE ALRAFAEGPH PALAGLLRRF ASEQVRQVAT IGGNIANGSP IGDGPPALIA DATA SEQUENCE MGASLTLRRG QERRRMPLED FFLEYRKQDR RPGEFVESVT LPKSAPGLRC DATA SEQUENCE YKLSKRFDQD ISAVCGCLNL TLKGSKIETA RIAFGGMAGV PKRAAAFEAA DATA SEQUENCE LIGQDFREDT IAAALPLLAQ DFTPLSDMRA SAAYRMNAAQ AMALRYVREL DATA SEQUENCE SGEAVAVLEV MP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.294 176.300 -0.010 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 2 E N 5.382 125.571 120.200 -0.019 0.000 2.222 2 E HA 0.744 5.094 4.350 -0.000 0.000 0.267 2 E C -1.352 175.231 176.600 -0.029 0.000 0.884 2 E CA -0.759 55.633 56.400 -0.014 0.000 0.764 2 E CB 2.090 31.788 29.700 -0.004 0.000 1.169 2 E HN 0.721 nan 8.360 nan 0.000 0.413 3 I N 0.120 120.680 120.570 -0.017 0.000 2.750 3 I HA 0.867 5.037 4.170 -0.000 0.000 0.308 3 I C -0.721 175.425 176.117 0.048 0.000 1.016 3 I CA -0.900 60.400 61.300 0.000 0.000 1.098 3 I CB 2.061 40.053 38.000 -0.014 0.000 1.279 3 I HN 0.455 nan 8.210 nan 0.000 0.454 4 A N 4.307 127.175 122.820 0.080 0.000 2.365 4 A HA 0.929 5.249 4.320 -0.000 0.000 0.318 4 A C -0.965 176.770 177.584 0.252 0.000 1.091 4 A CA -0.484 51.596 52.037 0.073 0.000 0.763 4 A CB 0.987 20.033 19.000 0.077 0.000 1.248 4 A HN 0.916 nan 8.150 nan 0.000 0.442 5 F N -0.304 119.675 119.950 0.049 0.000 2.693 5 F HA 0.646 5.173 4.527 -0.000 0.000 0.309 5 F C -1.649 173.955 175.800 -0.327 0.000 1.129 5 F CA -1.217 56.745 58.000 -0.065 0.000 0.948 5 F CB 1.273 40.200 39.000 -0.122 0.000 1.315 5 F HN 0.419 nan 8.300 nan 0.000 0.447 6 L N 3.416 124.338 121.223 -0.501 0.000 2.270 6 L HA 0.561 4.901 4.340 -0.000 0.000 0.286 6 L C -1.070 175.728 176.870 -0.121 0.000 1.059 6 L CA -0.644 53.844 54.840 -0.585 0.000 0.839 6 L CB 0.789 42.230 42.059 -1.029 0.000 1.221 6 L HN 0.725 nan 8.230 nan 0.000 0.431 7 L N 5.922 127.129 121.223 -0.028 0.000 2.261 7 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 7 L C 0.261 177.162 176.870 0.053 0.000 1.059 7 L CA 0.258 55.179 54.840 0.135 0.000 0.816 7 L CB 0.019 42.248 42.059 0.283 0.000 1.191 7 L HN 0.718 nan 8.230 nan 0.000 0.431 8 N N 4.487 123.221 118.700 0.057 0.000 2.727 8 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 8 N C 0.917 176.449 175.510 0.037 0.000 1.048 8 N CA 1.211 54.294 53.050 0.055 0.000 0.714 8 N CB -1.236 37.288 38.487 0.062 0.000 0.959 8 N HN 1.173 nan 8.380 nan 0.000 0.544 9 G N -0.751 108.051 108.800 0.003 0.000 2.143 9 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.249 9 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.249 9 G C -0.259 174.624 174.900 -0.028 0.000 0.981 9 G CA 0.602 45.701 45.100 -0.001 0.000 0.665 9 G HN 0.628 nan 8.290 nan 0.000 0.528 10 E N 0.994 121.159 120.200 -0.059 0.000 2.224 10 E HA 0.502 4.852 4.350 -0.000 0.000 0.265 10 E C 0.553 177.072 176.600 -0.135 0.000 0.878 10 E CA -0.124 56.237 56.400 -0.065 0.000 0.759 10 E CB 1.061 30.741 29.700 -0.035 0.000 1.164 10 E HN 0.316 nan 8.360 nan 0.000 0.414 11 T N 1.910 116.391 114.554 -0.121 0.000 2.916 11 T HA 0.352 4.702 4.350 -0.000 0.000 0.303 11 T C 0.084 174.666 174.700 -0.197 0.000 1.025 11 T CA -0.500 61.509 62.100 -0.153 0.000 1.142 11 T CB 0.941 69.811 68.868 0.003 0.000 0.947 11 T HN 0.353 nan 8.240 nan 0.000 0.544 12 R N 1.344 121.625 120.500 -0.364 0.000 2.533 12 R HA 0.419 4.759 4.340 -0.000 0.000 0.288 12 R C -1.002 174.971 176.300 -0.545 0.000 1.039 12 R CA -0.564 55.254 56.100 -0.470 0.000 0.909 12 R CB 1.416 31.312 30.300 -0.673 0.000 1.195 12 R HN 0.759 nan 8.270 nan 0.000 0.438 13 R N 2.762 123.104 120.500 -0.264 0.000 2.445 13 R HA 0.643 4.983 4.340 -0.000 0.000 0.308 13 R C -0.983 175.276 176.300 -0.068 0.000 0.961 13 R CA -1.000 55.008 56.100 -0.155 0.000 0.862 13 R CB 2.081 32.340 30.300 -0.068 0.000 1.144 13 R HN 0.222 nan 8.270 nan 0.000 0.447 14 V N 3.566 123.472 119.914 -0.013 0.000 2.525 14 V HA 0.349 4.469 4.120 -0.000 0.000 0.299 14 V C 0.107 176.234 176.094 0.054 0.000 1.034 14 V CA -0.950 61.397 62.300 0.078 0.000 0.863 14 V CB 1.957 33.867 31.823 0.146 0.000 0.999 14 V HN 0.677 nan 8.190 nan 0.000 0.423 15 R N 3.625 124.163 120.500 0.065 0.000 2.491 15 R HA 0.481 4.821 4.340 -0.000 0.000 0.283 15 R C -0.751 175.581 176.300 0.052 0.000 1.072 15 R CA -0.075 56.054 56.100 0.047 0.000 1.048 15 R CB 0.732 31.062 30.300 0.050 0.000 0.983 15 R HN 0.585 nan 8.270 nan 0.000 0.450 16 I N 2.861 123.447 120.570 0.027 0.000 2.330 16 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 16 I C 0.815 176.958 176.117 0.044 0.000 1.001 16 I CA 0.077 61.392 61.300 0.026 0.000 1.193 16 I CB 1.585 39.577 38.000 -0.014 0.000 1.345 16 I HN 0.645 nan 8.210 nan 0.000 0.461 17 E N 2.964 123.200 120.200 0.061 0.000 2.511 17 E HA 0.067 4.417 4.350 -0.000 0.000 0.209 17 E C -0.609 176.033 176.600 0.070 0.000 0.986 17 E CA 0.138 56.576 56.400 0.063 0.000 0.974 17 E CB 0.775 30.513 29.700 0.064 0.000 1.030 17 E HN 0.499 nan 8.360 nan 0.000 0.490 18 D N 0.614 121.059 120.400 0.075 0.000 2.476 18 D HA 0.107 4.747 4.640 -0.000 0.000 0.251 18 D C -1.963 174.390 176.300 0.088 0.000 1.291 18 D CA -1.954 52.096 54.000 0.084 0.000 0.939 18 D CB 1.610 42.462 40.800 0.087 0.000 1.221 18 D HN -0.230 nan 8.370 nan 0.000 0.567 19 P HA -0.036 nan 4.420 nan 0.000 0.225 19 P C 1.181 178.610 177.300 0.216 0.000 1.156 19 P CA 0.549 63.750 63.100 0.169 0.000 0.787 19 P CB 0.416 32.268 31.700 0.252 0.000 0.802 20 T N -1.425 113.228 114.554 0.165 0.000 3.067 20 T HA -0.021 4.329 4.350 -0.000 0.000 0.261 20 T C 0.970 175.738 174.700 0.114 0.000 1.110 20 T CA 0.003 62.195 62.100 0.154 0.000 1.113 20 T CB -0.492 68.447 68.868 0.119 0.000 0.917 20 T HN 0.088 nan 8.240 nan 0.000 0.499 21 Q N 2.379 122.237 119.800 0.096 0.000 2.315 21 Q HA 0.082 4.422 4.340 -0.000 0.000 0.289 21 Q C -0.012 176.025 176.000 0.062 0.000 1.044 21 Q CA -0.067 55.788 55.803 0.087 0.000 0.920 21 Q CB 0.505 29.305 28.738 0.104 0.000 1.214 21 Q HN 0.503 nan 8.270 nan 0.000 0.392 22 S N 3.129 118.871 115.700 0.069 0.000 2.610 22 S HA 0.073 4.543 4.470 -0.000 0.000 0.273 22 S C 0.917 175.554 174.600 0.062 0.000 1.274 22 S CA -0.826 57.400 58.200 0.045 0.000 1.023 22 S CB 1.097 64.324 63.200 0.046 0.000 0.962 22 S HN 0.733 nan 8.310 nan 0.000 0.523 23 L N 2.948 124.177 121.223 0.009 0.000 2.012 23 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 23 L C 2.213 179.160 176.870 0.128 0.000 1.073 23 L CA 2.033 56.889 54.840 0.026 0.000 0.748 23 L CB -1.328 40.688 42.059 -0.071 0.000 0.891 23 L HN 0.903 nan 8.230 nan 0.000 0.431 24 L N -0.286 120.983 121.223 0.076 0.000 2.013 24 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 24 L C 2.440 179.365 176.870 0.091 0.000 1.073 24 L CA 1.982 56.865 54.840 0.072 0.000 0.753 24 L CB -0.902 41.184 42.059 0.045 0.000 0.890 24 L HN 0.372 nan 8.230 nan 0.000 0.432 25 E N -0.926 119.335 120.200 0.103 0.000 2.085 25 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 25 E C 1.946 178.620 176.600 0.123 0.000 0.994 25 E CA 1.931 58.390 56.400 0.099 0.000 0.801 25 E CB -0.851 28.911 29.700 0.104 0.000 0.743 25 E HN 0.790 nan 8.360 nan 0.000 0.453 26 W N 1.688 122.987 121.300 -0.001 0.000 2.409 26 W HA -0.060 4.600 4.660 -0.000 0.000 0.299 26 W C 2.076 178.603 176.519 0.013 0.000 1.203 26 W CA 1.035 58.384 57.345 0.006 0.000 1.298 26 W CB -0.259 29.197 29.460 -0.007 0.000 1.127 26 W HN -0.059 nan 8.180 nan 0.000 0.528 27 L N 0.420 121.759 121.223 0.193 0.000 2.046 27 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 27 L C 2.643 179.427 176.870 -0.143 0.000 1.077 27 L CA 1.612 56.457 54.840 0.007 0.000 0.747 27 L CB -0.856 41.283 42.059 0.132 0.000 0.896 27 L HN -0.066 nan 8.230 nan 0.000 0.432 28 R N -0.241 120.214 120.500 -0.074 0.000 2.115 28 R HA -0.041 4.299 4.340 -0.000 0.000 0.226 28 R C 2.430 178.657 176.300 -0.122 0.000 1.100 28 R CA 1.032 57.088 56.100 -0.074 0.000 0.980 28 R CB -0.394 29.894 30.300 -0.021 0.000 0.875 28 R HN 0.330 nan 8.270 nan 0.000 0.445 29 A N 1.371 124.090 122.820 -0.168 0.000 1.933 29 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 29 A C 1.849 179.260 177.584 -0.289 0.000 1.175 29 A CA 1.235 53.152 52.037 -0.200 0.000 0.628 29 A CB -0.157 18.724 19.000 -0.198 0.000 0.814 29 A HN 0.132 nan 8.150 nan 0.000 0.444 30 E N -1.554 118.368 120.200 -0.463 0.000 2.106 30 E HA 0.025 4.375 4.350 -0.000 0.000 0.192 30 E C 1.539 177.993 176.600 -0.244 0.000 0.984 30 E CA 1.211 57.338 56.400 -0.455 0.000 0.806 30 E CB -0.191 29.091 29.700 -0.697 0.000 0.750 30 E HN 0.800 nan 8.360 nan 0.000 0.458 31 G N 0.058 108.745 108.800 -0.188 0.000 2.318 31 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.172 31 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.172 31 G C 0.344 175.193 174.900 -0.085 0.000 1.002 31 G CA -0.045 44.988 45.100 -0.112 0.000 0.697 31 G HN 0.162 nan 8.290 nan 0.000 0.483 32 L N 2.686 123.852 121.223 -0.096 0.000 2.436 32 L HA 0.252 4.592 4.340 -0.000 0.000 0.244 32 L C 1.777 178.622 176.870 -0.042 0.000 1.396 32 L CA 0.593 55.401 54.840 -0.053 0.000 1.217 32 L CB 0.162 42.202 42.059 -0.031 0.000 1.420 32 L HN 0.200 nan 8.230 nan 0.000 0.434 33 T N -0.211 114.319 114.554 -0.039 0.000 3.439 33 T HA 0.050 4.400 4.350 -0.000 0.000 0.251 33 T C 1.583 176.260 174.700 -0.038 0.000 1.108 33 T CA 0.799 62.880 62.100 -0.032 0.000 0.982 33 T CB -0.053 68.802 68.868 -0.021 0.000 1.024 33 T HN 0.694 nan 8.240 nan 0.000 0.573 34 G N 0.299 109.074 108.800 -0.042 0.000 2.539 34 G HA2 0.057 4.017 3.960 -0.000 0.000 0.215 34 G HA3 0.057 4.017 3.960 -0.000 0.000 0.215 34 G C 0.648 175.496 174.900 -0.086 0.000 1.141 34 G CA 0.022 45.088 45.100 -0.057 0.000 0.806 34 G HN 0.512 nan 8.290 nan 0.000 0.533 35 T N 2.994 117.510 114.554 -0.064 0.000 2.727 35 T HA 0.365 4.715 4.350 -0.000 0.000 0.295 35 T C -0.122 174.519 174.700 -0.097 0.000 0.915 35 T CA -0.287 61.772 62.100 -0.070 0.000 1.066 35 T CB 1.267 70.121 68.868 -0.023 0.000 0.891 35 T HN 0.026 nan 8.240 nan 0.000 0.516 36 K N 2.903 123.193 120.400 -0.183 0.000 2.118 36 K HA 0.295 4.615 4.320 -0.000 0.000 0.267 36 K C 0.142 176.707 176.600 -0.058 0.000 0.991 36 K CA -0.571 55.565 56.287 -0.252 0.000 0.916 36 K CB 1.712 33.714 32.500 -0.830 0.000 1.041 36 K HN 0.633 nan 8.250 nan 0.000 0.455 37 E N 1.168 121.417 120.200 0.081 0.000 2.115 37 E HA 0.217 4.567 4.350 -0.000 0.000 0.282 37 E C 0.206 176.964 176.600 0.262 0.000 0.987 37 E CA -0.351 56.130 56.400 0.136 0.000 0.797 37 E CB 0.777 30.546 29.700 0.116 0.000 1.086 37 E HN 0.792 nan 8.360 nan 0.000 0.397 38 G N 2.544 111.478 108.800 0.223 0.000 2.651 38 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.207 38 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.207 38 G C 1.027 176.010 174.900 0.139 0.000 1.131 38 G CA 0.728 45.984 45.100 0.259 0.000 0.816 38 G HN 0.705 nan 8.290 nan 0.000 0.534 39 C N -2.933 116.429 119.300 0.104 0.000 4.491 39 C HA 0.421 4.881 4.460 -0.000 0.000 0.458 39 C C 0.962 175.990 174.990 0.063 0.000 1.644 39 C CA 0.333 59.395 59.018 0.074 0.000 2.151 39 C CB -0.773 27.006 27.740 0.065 0.000 3.250 39 C HN 0.408 nan 8.230 nan 0.000 0.648 40 N N 1.551 120.289 118.700 0.063 0.000 2.735 40 N HA -0.253 4.487 4.740 -0.000 0.000 0.248 40 N C 0.418 175.956 175.510 0.047 0.000 1.083 40 N CA 1.220 54.303 53.050 0.054 0.000 0.703 40 N CB -0.645 37.877 38.487 0.058 0.000 1.005 40 N HN 0.927 nan 8.380 nan 0.000 0.550 41 E N -1.497 118.728 120.200 0.042 0.000 2.653 41 E HA 0.184 4.534 4.350 -0.000 0.000 0.218 41 E C 0.966 177.583 176.600 0.028 0.000 0.911 41 E CA 0.754 57.177 56.400 0.038 0.000 1.355 41 E CB 0.503 30.229 29.700 0.043 0.000 1.314 41 E HN 0.449 nan 8.360 nan 0.000 0.686 42 G N 1.365 110.181 108.800 0.026 0.000 2.176 42 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.232 42 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.232 42 G C 0.561 175.472 174.900 0.018 0.000 0.986 42 G CA 0.458 45.568 45.100 0.018 0.000 0.643 42 G HN 0.286 nan 8.290 nan 0.000 0.522 43 D N -0.308 120.108 120.400 0.026 0.000 2.259 43 D HA 0.021 4.660 4.640 -0.000 0.000 0.216 43 D C 2.729 179.049 176.300 0.033 0.000 0.961 43 D CA 1.500 55.517 54.000 0.028 0.000 0.878 43 D CB -0.243 40.577 40.800 0.034 0.000 1.009 43 D HN 0.687 nan 8.370 nan 0.000 0.490 44 C N -0.441 118.886 119.300 0.045 0.000 2.512 44 C HA 0.480 4.939 4.460 -0.000 0.000 0.276 44 C C 1.933 176.940 174.990 0.027 0.000 1.368 44 C CA 0.594 59.650 59.018 0.063 0.000 1.755 44 C CB -0.311 27.488 27.740 0.099 0.000 2.008 44 C HN 0.399 nan 8.230 nan 0.000 0.511 45 G N 0.657 109.459 108.800 0.002 0.000 2.153 45 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.252 45 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.252 45 G C 1.111 175.983 174.900 -0.048 0.000 0.994 45 G CA 0.680 45.752 45.100 -0.046 0.000 0.698 45 G HN 1.428 nan 8.290 nan 0.000 0.521 46 A N -0.479 122.344 122.820 0.005 0.000 2.067 46 A HA 0.143 4.463 4.320 -0.000 0.000 0.219 46 A C 2.377 179.926 177.584 -0.058 0.000 1.158 46 A CA 2.249 54.281 52.037 -0.009 0.000 0.661 46 A CB -0.698 18.330 19.000 0.047 0.000 0.801 46 A HN 1.844 nan 8.150 nan 0.000 0.452 47 C N -1.201 118.079 119.300 -0.033 0.000 2.589 47 C HA 0.396 4.856 4.460 -0.000 0.000 0.307 47 C C 0.672 175.642 174.990 -0.034 0.000 1.328 47 C CA -0.603 58.395 59.018 -0.034 0.000 1.742 47 C CB -2.268 25.466 27.740 -0.009 0.000 2.037 47 C HN 0.317 nan 8.230 nan 0.000 0.592 48 T N 2.998 117.524 114.554 -0.046 0.000 2.871 48 T HA 0.365 4.715 4.350 -0.000 0.000 0.296 48 T C 0.454 175.132 174.700 -0.036 0.000 0.998 48 T CA 0.629 62.700 62.100 -0.048 0.000 1.162 48 T CB 0.402 69.229 68.868 -0.068 0.000 0.947 48 T HN 0.835 nan 8.240 nan 0.000 0.536 49 V N 1.510 121.404 119.914 -0.033 0.000 3.046 49 V HA 0.759 4.879 4.120 -0.000 0.000 0.316 49 V C -0.406 175.669 176.094 -0.030 0.000 1.104 49 V CA -1.457 60.828 62.300 -0.026 0.000 1.006 49 V CB 2.233 34.042 31.823 -0.023 0.000 1.058 49 V HN 0.870 nan 8.190 nan 0.000 0.440 50 M N 3.845 123.431 119.600 -0.023 0.000 2.181 50 M HA 0.695 5.175 4.480 -0.000 0.000 0.323 50 M C -1.064 175.221 176.300 -0.025 0.000 1.004 50 M CA -0.734 54.552 55.300 -0.024 0.000 0.941 50 M CB 1.355 33.944 32.600 -0.018 0.000 1.579 50 M HN 0.904 nan 8.290 nan 0.000 0.427 51 I N 1.463 122.013 120.570 -0.034 0.000 2.750 51 I HA 0.739 4.909 4.170 -0.000 0.000 0.308 51 I C -0.982 175.123 176.117 -0.020 0.000 1.016 51 I CA -0.908 60.370 61.300 -0.035 0.000 1.098 51 I CB 1.990 39.955 38.000 -0.060 0.000 1.279 51 I HN 0.813 nan 8.210 nan 0.000 0.454 52 R N 2.266 122.763 120.500 -0.004 0.000 2.604 52 R HA 0.481 4.821 4.340 -0.000 0.000 0.281 52 R C -1.936 174.388 176.300 0.039 0.000 1.020 52 R CA -0.315 55.793 56.100 0.014 0.000 0.899 52 R CB 1.901 32.215 30.300 0.024 0.000 1.205 52 R HN 1.019 nan 8.270 nan 0.000 0.450 53 D N 2.428 122.846 120.400 0.029 0.000 3.009 53 D HA 0.250 4.890 4.640 -0.000 0.000 0.318 53 D C 0.410 176.724 176.300 0.024 0.000 1.273 53 D CA -0.233 53.792 54.000 0.041 0.000 1.001 53 D CB 0.103 40.913 40.800 0.016 0.000 1.411 53 D HN 0.363 nan 8.370 nan 0.000 0.577 54 A N -0.502 122.324 122.820 0.011 0.000 2.070 54 A HA 0.248 4.567 4.320 -0.000 0.000 0.220 54 A C 1.865 179.443 177.584 -0.009 0.000 1.159 54 A CA 2.044 54.080 52.037 -0.001 0.000 0.656 54 A CB -1.107 17.887 19.000 -0.010 0.000 0.800 54 A HN 0.713 nan 8.150 nan 0.000 0.453 55 A N -1.498 121.312 122.820 -0.016 0.000 2.307 55 A HA 0.504 4.824 4.320 -0.000 0.000 0.218 55 A C 1.253 178.824 177.584 -0.022 0.000 1.228 55 A CA 1.093 53.116 52.037 -0.024 0.000 0.857 55 A CB -0.947 18.032 19.000 -0.036 0.000 0.897 55 A HN 2.010 nan 8.150 nan 0.000 0.495 56 G N -0.835 107.957 108.800 -0.013 0.000 2.466 56 G HA2 0.228 4.188 3.960 -0.000 0.000 0.316 56 G HA3 0.228 4.188 3.960 -0.000 0.000 0.316 56 G C -0.172 174.720 174.900 -0.012 0.000 1.270 56 G CA -0.215 44.878 45.100 -0.013 0.000 0.982 56 G HN 1.582 nan 8.290 nan 0.000 0.506 57 S N -0.599 115.093 115.700 -0.014 0.000 2.503 57 S HA 0.904 5.374 4.470 -0.000 0.000 0.301 57 S C -0.132 174.455 174.600 -0.021 0.000 1.087 57 S CA 0.220 58.411 58.200 -0.014 0.000 1.042 57 S CB 2.156 65.350 63.200 -0.009 0.000 1.043 57 S HN 1.596 nan 8.310 nan 0.000 0.489 58 R N 0.464 120.949 120.500 -0.025 0.000 2.764 58 R HA 0.799 5.139 4.340 -0.000 0.000 0.270 58 R C -1.422 174.860 176.300 -0.030 0.000 1.014 58 R CA -1.214 54.868 56.100 -0.029 0.000 0.904 58 R CB 1.313 31.591 30.300 -0.037 0.000 1.236 58 R HN 0.751 nan 8.270 nan 0.000 0.466 59 A N 1.491 124.293 122.820 -0.030 0.000 2.290 59 A HA 0.640 4.960 4.320 -0.000 0.000 0.310 59 A C -0.027 177.534 177.584 -0.038 0.000 1.202 59 A CA -0.504 51.513 52.037 -0.033 0.000 0.837 59 A CB 1.016 19.997 19.000 -0.032 0.000 1.139 59 A HN 0.794 nan 8.150 nan 0.000 0.509 60 V N 0.431 120.320 119.914 -0.041 0.000 3.078 60 V HA 0.544 4.664 4.120 -0.000 0.000 0.311 60 V C -0.635 175.436 176.094 -0.039 0.000 1.138 60 V CA -1.424 60.851 62.300 -0.041 0.000 1.007 60 V CB 2.017 33.810 31.823 -0.050 0.000 1.045 60 V HN 0.786 nan 8.190 nan 0.000 0.432 61 N N 1.762 120.442 118.700 -0.032 0.000 2.442 61 N HA 0.336 5.076 4.740 -0.000 0.000 0.265 61 N C 1.023 176.518 175.510 -0.026 0.000 1.138 61 N CA 0.341 53.376 53.050 -0.025 0.000 0.956 61 N CB 2.014 40.492 38.487 -0.014 0.000 1.067 61 N HN 1.021 nan 8.380 nan 0.000 0.474 62 A N 1.694 124.501 122.820 -0.022 0.000 2.066 62 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 62 A C 2.258 179.839 177.584 -0.005 0.000 1.157 62 A CA 0.826 52.852 52.037 -0.018 0.000 0.670 62 A CB -0.511 18.485 19.000 -0.005 0.000 0.804 62 A HN 0.911 nan 8.150 nan 0.000 0.453 63 C N -1.831 117.472 119.300 0.004 0.000 2.485 63 C HA 0.258 4.718 4.460 -0.000 0.000 0.278 63 C C 2.246 177.241 174.990 0.008 0.000 1.356 63 C CA 0.549 59.577 59.018 0.016 0.000 1.747 63 C CB -1.482 26.274 27.740 0.026 0.000 2.001 63 C HN 0.436 nan 8.230 nan 0.000 0.501 64 L N 0.111 121.332 121.223 -0.004 0.000 2.341 64 L HA 0.177 4.517 4.340 -0.000 0.000 0.214 64 L C 1.485 178.343 176.870 -0.020 0.000 1.115 64 L CA 0.422 55.254 54.840 -0.013 0.000 0.820 64 L CB -0.343 41.707 42.059 -0.015 0.000 0.944 64 L HN 0.364 nan 8.230 nan 0.000 0.452 65 M N 1.254 120.835 119.600 -0.031 0.000 2.120 65 M HA 0.296 4.776 4.480 -0.000 0.000 0.354 65 M C -0.306 175.957 176.300 -0.061 0.000 1.287 65 M CA 0.260 55.526 55.300 -0.056 0.000 1.103 65 M CB 0.770 33.319 32.600 -0.084 0.000 1.623 65 M HN -0.045 nan 8.290 nan 0.000 0.471 66 M N 4.380 123.943 119.600 -0.060 0.000 2.359 66 M HA 0.204 4.684 4.480 -0.000 0.000 0.322 66 M C 0.882 177.041 176.300 -0.234 0.000 1.166 66 M CA -0.457 54.798 55.300 -0.073 0.000 1.067 66 M CB 1.113 33.759 32.600 0.077 0.000 1.523 66 M HN 0.838 nan 8.290 nan 0.000 0.467 67 L N 1.929 123.004 121.223 -0.247 0.000 2.017 67 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 67 L C -0.574 176.027 176.870 -0.448 0.000 1.073 67 L CA 1.823 56.436 54.840 -0.379 0.000 0.745 67 L CB -1.110 40.735 42.059 -0.357 0.000 0.894 67 L HN 0.553 nan 8.230 nan 0.000 0.432 68 P HA -0.162 nan 4.420 nan 0.000 0.228 68 P C 1.118 178.138 177.300 -0.468 0.000 1.151 68 P CA 1.061 63.839 63.100 -0.537 0.000 0.770 68 P CB 0.011 31.251 31.700 -0.767 0.000 0.786 69 Q N -0.566 118.942 119.800 -0.488 0.000 2.311 69 Q HA 0.004 4.344 4.340 -0.000 0.000 0.203 69 Q C 1.763 177.652 176.000 -0.186 0.000 0.954 69 Q CA 0.689 56.319 55.803 -0.289 0.000 0.885 69 Q CB -0.332 28.224 28.738 -0.303 0.000 0.963 69 Q HN 0.419 nan 8.270 nan 0.000 0.471 70 I N -2.781 117.631 120.570 -0.263 0.000 3.810 70 I HA 0.311 4.481 4.170 -0.000 0.000 0.322 70 I C 0.469 176.518 176.117 -0.114 0.000 1.288 70 I CA -0.628 60.522 61.300 -0.249 0.000 1.143 70 I CB -0.049 37.670 38.000 -0.469 0.000 1.012 70 I HN -0.215 nan 8.210 nan 0.000 0.423 71 A N 1.733 124.531 122.820 -0.037 0.000 2.548 71 A HA 0.419 4.739 4.320 -0.000 0.000 0.247 71 A C 1.606 179.270 177.584 0.134 0.000 1.067 71 A CA 0.619 52.676 52.037 0.033 0.000 0.757 71 A CB -0.608 18.313 19.000 -0.131 0.000 0.996 71 A HN 1.108 nan 8.150 nan 0.000 0.504 72 G N 1.910 110.830 108.800 0.199 0.000 2.189 72 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.267 72 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.267 72 G C 0.282 175.398 174.900 0.360 0.000 0.975 72 G CA 1.093 46.328 45.100 0.225 0.000 0.644 72 G HN 0.877 nan 8.290 nan 0.000 0.537 73 K N 0.000 120.589 120.400 0.315 0.000 2.185 73 K HA 0.759 5.079 4.320 -0.000 0.000 0.240 73 K C 0.071 176.768 176.600 0.162 0.000 0.983 73 K CA -0.193 56.227 56.287 0.222 0.000 0.873 73 K CB 1.825 34.365 32.500 0.066 0.000 1.118 73 K HN 0.462 nan 8.250 nan 0.000 0.441 74 A N 2.117 124.986 122.820 0.081 0.000 2.253 74 A HA 0.368 4.688 4.320 -0.000 0.000 0.316 74 A C -1.075 176.495 177.584 -0.023 0.000 1.327 74 A CA -0.522 51.482 52.037 -0.054 0.000 0.917 74 A CB -0.026 18.960 19.000 -0.022 0.000 1.162 74 A HN 0.542 nan 8.150 nan 0.000 0.535 75 L N 2.676 123.891 121.223 -0.014 0.000 2.282 75 L HA 0.807 5.147 4.340 -0.000 0.000 0.288 75 L C -0.174 176.712 176.870 0.026 0.000 1.033 75 L CA -0.294 54.544 54.840 -0.003 0.000 0.807 75 L CB 1.272 43.313 42.059 -0.031 0.000 1.209 75 L HN 0.645 nan 8.230 nan 0.000 0.423 76 R N 2.281 122.792 120.500 0.020 0.000 2.480 76 R HA 0.694 5.034 4.340 -0.000 0.000 0.306 76 R C -0.491 175.829 176.300 0.033 0.000 0.958 76 R CA -0.043 56.081 56.100 0.039 0.000 0.861 76 R CB 1.484 31.808 30.300 0.040 0.000 1.171 76 R HN 0.892 nan 8.270 nan 0.000 0.445 77 T N 0.310 114.892 114.554 0.047 0.000 2.889 77 T HA 0.260 4.610 4.350 -0.000 0.000 0.278 77 T C 1.138 175.857 174.700 0.030 0.000 0.995 77 T CA -0.736 61.385 62.100 0.034 0.000 0.966 77 T CB 0.691 69.586 68.868 0.045 0.000 1.237 77 T HN 0.414 nan 8.240 nan 0.000 0.591 78 I N 1.529 122.108 120.570 0.014 0.000 2.208 78 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 78 I C 2.371 178.503 176.117 0.025 0.000 1.097 78 I CA 1.674 62.981 61.300 0.012 0.000 1.363 78 I CB -0.702 37.294 38.000 -0.007 0.000 1.051 78 I HN 0.811 nan 8.210 nan 0.000 0.413 79 E N -0.235 119.977 120.200 0.020 0.000 2.472 79 E HA -0.083 4.267 4.350 -0.000 0.000 0.200 79 E C 1.686 178.305 176.600 0.033 0.000 1.046 79 E CA 1.012 57.423 56.400 0.018 0.000 0.871 79 E CB -0.638 29.067 29.700 0.008 0.000 0.806 79 E HN 0.614 nan 8.360 nan 0.000 0.533 80 G N 0.611 109.447 108.800 0.059 0.000 3.377 80 G HA2 0.155 4.115 3.960 -0.000 0.000 0.257 80 G HA3 0.155 4.115 3.960 -0.000 0.000 0.257 80 G C 1.233 176.242 174.900 0.182 0.000 1.038 80 G CA -0.355 44.801 45.100 0.094 0.000 0.809 80 G HN 0.035 nan 8.290 nan 0.000 0.526 81 I N 1.716 122.387 120.570 0.169 0.000 2.406 81 I HA 0.114 4.284 4.170 -0.000 0.000 0.249 81 I C 1.950 178.355 176.117 0.479 0.000 1.122 81 I CA 0.206 61.665 61.300 0.265 0.000 1.431 81 I CB -0.904 37.153 38.000 0.095 0.000 1.087 81 I HN 0.149 nan 8.210 nan 0.000 0.424 82 A N 1.205 124.158 122.820 0.222 0.000 2.407 82 A HA 0.553 4.872 4.320 -0.000 0.000 0.248 82 A C 0.655 178.019 177.584 -0.367 0.000 1.082 82 A CA -0.002 52.066 52.037 0.052 0.000 0.785 82 A CB 0.082 19.065 19.000 -0.028 0.000 1.020 82 A HN 0.315 nan 8.150 nan 0.000 0.489 83 A N 3.310 125.512 122.820 -1.030 0.000 2.520 83 A HA 0.421 4.741 4.320 -0.000 0.000 0.235 83 A C -1.132 176.006 177.584 -0.744 0.000 1.065 83 A CA -0.551 50.453 52.037 -1.723 0.000 0.764 83 A CB -0.501 17.497 19.000 -1.670 0.000 1.002 83 A HN 0.639 nan 8.150 nan 0.000 0.502 84 P HA -0.216 nan 4.420 nan 0.000 0.216 84 P C 0.625 177.799 177.300 -0.210 0.000 1.154 84 P CA 1.987 64.931 63.100 -0.261 0.000 0.865 84 P CB -0.108 31.496 31.700 -0.160 0.000 0.789 85 D N -2.787 117.474 120.400 -0.231 0.000 2.378 85 D HA 0.093 4.733 4.640 -0.000 0.000 0.227 85 D C 1.396 177.602 176.300 -0.157 0.000 1.012 85 D CA 0.879 54.783 54.000 -0.160 0.000 0.905 85 D CB -0.652 40.068 40.800 -0.133 0.000 0.895 85 D HN 0.261 nan 8.370 nan 0.000 0.532 86 G N 0.137 108.816 108.800 -0.201 0.000 2.259 86 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 86 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 86 G C 0.394 175.196 174.900 -0.164 0.000 1.001 86 G CA -0.208 44.799 45.100 -0.154 0.000 0.627 86 G HN 0.495 nan 8.290 nan 0.000 0.501 87 R N 1.146 121.521 120.500 -0.208 0.000 2.585 87 R HA 0.452 4.792 4.340 -0.000 0.000 0.275 87 R C 0.939 177.141 176.300 -0.163 0.000 1.018 87 R CA -0.144 55.855 56.100 -0.169 0.000 1.072 87 R CB 0.038 30.236 30.300 -0.169 0.000 0.953 87 R HN 0.352 nan 8.270 nan 0.000 0.419 88 L N 2.436 123.635 121.223 -0.040 0.000 2.475 88 L HA 0.155 4.495 4.340 -0.000 0.000 0.250 88 L C 1.031 178.014 176.870 0.189 0.000 1.224 88 L CA -0.344 54.528 54.840 0.054 0.000 0.821 88 L CB 0.186 42.277 42.059 0.053 0.000 1.141 88 L HN 0.576 nan 8.230 nan 0.000 0.494 89 H N 1.061 120.242 119.070 0.184 0.000 2.511 89 H HA 0.140 4.696 4.556 -0.000 0.000 0.346 89 H C -1.873 173.495 175.328 0.066 0.000 1.128 89 H CA -1.774 54.410 56.048 0.228 0.000 1.342 89 H CB 2.021 31.889 29.762 0.176 0.000 1.470 89 H HN 0.252 nan 8.280 nan 0.000 0.546 90 P HA -0.212 nan 4.420 nan 0.000 0.218 90 P C 1.641 178.991 177.300 0.083 0.000 1.152 90 P CA 0.998 64.056 63.100 -0.071 0.000 0.857 90 P CB 0.316 31.840 31.700 -0.294 0.000 0.787 91 V N -0.701 119.385 119.914 0.287 0.000 2.358 91 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 91 V C 2.555 178.711 176.094 0.104 0.000 1.047 91 V CA 1.775 64.163 62.300 0.148 0.000 1.035 91 V CB -1.138 30.706 31.823 0.035 0.000 0.658 91 V HN 0.173 nan 8.190 nan 0.000 0.452 92 Q N -0.840 119.043 119.800 0.138 0.000 2.020 92 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 92 Q C 2.472 178.508 176.000 0.060 0.000 0.982 92 Q CA 1.531 57.389 55.803 0.090 0.000 0.838 92 Q CB -0.264 28.545 28.738 0.117 0.000 0.899 92 Q HN 0.505 nan 8.270 nan 0.000 0.423 93 Q N 0.071 119.910 119.800 0.065 0.000 2.096 93 Q HA -0.154 4.185 4.340 -0.000 0.000 0.204 93 Q C 2.093 178.108 176.000 0.025 0.000 0.982 93 Q CA 1.602 57.423 55.803 0.030 0.000 0.850 93 Q CB -0.391 28.364 28.738 0.028 0.000 0.901 93 Q HN 0.403 nan 8.270 nan 0.000 0.422 94 A N 0.421 123.278 122.820 0.062 0.000 1.940 94 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 94 A C 2.071 179.724 177.584 0.115 0.000 1.176 94 A CA 1.581 53.689 52.037 0.119 0.000 0.631 94 A CB -0.394 18.667 19.000 0.101 0.000 0.814 94 A HN 0.281 nan 8.150 nan 0.000 0.446 95 M N -0.782 118.845 119.600 0.044 0.000 2.254 95 M HA 0.009 4.489 4.480 -0.000 0.000 0.265 95 M C 2.071 178.347 176.300 -0.040 0.000 1.066 95 M CA 1.116 56.421 55.300 0.009 0.000 1.123 95 M CB -0.881 31.718 32.600 -0.002 0.000 1.388 95 M HN 0.451 nan 8.290 nan 0.000 0.425 96 I N 0.072 120.608 120.570 -0.057 0.000 2.286 96 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 96 I C 1.753 177.714 176.117 -0.260 0.000 1.104 96 I CA 1.020 62.251 61.300 -0.115 0.000 1.397 96 I CB -0.567 37.390 38.000 -0.071 0.000 1.072 96 I HN 0.176 nan 8.210 nan 0.000 0.417 97 D N -0.036 120.221 120.400 -0.238 0.000 2.144 97 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 97 D C 1.840 177.768 176.300 -0.621 0.000 0.978 97 D CA 1.383 55.144 54.000 -0.398 0.000 0.833 97 D CB -0.239 40.352 40.800 -0.349 0.000 0.961 97 D HN 0.424 nan 8.370 nan 0.000 0.470 98 H N -0.395 118.516 119.070 -0.265 0.000 2.549 98 H HA 0.098 4.654 4.556 -0.000 0.000 0.279 98 H C -0.085 175.198 175.328 -0.076 0.000 1.018 98 H CA 0.043 56.002 56.048 -0.150 0.000 1.175 98 H CB 0.170 29.894 29.762 -0.063 0.000 1.485 98 H HN 0.306 nan 8.280 nan 0.000 0.543 99 H N -0.487 118.603 119.070 0.032 0.000 2.756 99 H HA -0.114 4.442 4.556 -0.000 0.000 0.315 99 H C 1.430 176.744 175.328 -0.024 0.000 1.210 99 H CA 0.650 56.696 56.048 -0.003 0.000 1.150 99 H CB -1.875 27.880 29.762 -0.011 0.000 1.463 99 H HN 0.566 nan 8.280 nan 0.000 0.427 100 G N 0.297 109.108 108.800 0.019 0.000 2.848 100 G HA2 0.150 4.110 3.960 -0.000 0.000 0.208 100 G HA3 0.150 4.110 3.960 -0.000 0.000 0.208 100 G C 0.645 175.477 174.900 -0.113 0.000 1.152 100 G CA 0.655 45.715 45.100 -0.066 0.000 0.789 100 G HN 0.584 nan 8.290 nan 0.000 0.531 101 S N -1.886 113.787 115.700 -0.045 0.000 2.541 101 S HA 0.606 5.075 4.470 -0.000 0.000 0.280 101 S C -0.077 174.519 174.600 -0.006 0.000 1.112 101 S CA -0.734 57.441 58.200 -0.041 0.000 0.925 101 S CB 2.597 65.788 63.200 -0.016 0.000 1.067 101 S HN 0.128 nan 8.310 nan 0.000 0.479 102 Q N 0.375 120.167 119.800 -0.013 0.000 2.612 102 Q HA 0.121 4.461 4.340 -0.000 0.000 0.193 102 Q C 2.290 178.299 176.000 0.015 0.000 0.828 102 Q CA 0.831 56.633 55.803 -0.002 0.000 0.851 102 Q CB -0.262 28.462 28.738 -0.022 0.000 1.178 102 Q HN 0.999 nan 8.270 nan 0.000 0.634 103 C N -0.667 118.647 119.300 0.024 0.000 2.467 103 C HA 0.397 4.856 4.460 -0.000 0.000 0.279 103 C C 1.757 176.800 174.990 0.088 0.000 1.347 103 C CA 0.617 59.664 59.018 0.049 0.000 1.748 103 C CB -0.745 27.023 27.740 0.046 0.000 1.977 103 C HN 0.823 nan 8.230 nan 0.000 0.501 104 G N -0.573 108.282 108.800 0.092 0.000 2.195 104 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.246 104 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.246 104 G C 0.447 175.428 174.900 0.135 0.000 0.984 104 G CA 0.484 45.639 45.100 0.092 0.000 0.633 104 G HN 0.567 nan 8.290 nan 0.000 0.525 105 F N 1.602 121.572 119.950 0.034 0.000 2.146 105 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 105 F C 2.879 178.725 175.800 0.076 0.000 1.096 105 F CA 2.641 60.669 58.000 0.046 0.000 1.275 105 F CB -0.304 38.719 39.000 0.038 0.000 1.008 105 F HN 0.608 nan 8.300 nan 0.000 0.480 106 C N -1.520 117.923 119.300 0.238 0.000 2.514 106 C HA 0.049 4.509 4.460 -0.000 0.000 0.271 106 C C 2.507 177.654 174.990 0.263 0.000 1.399 106 C CA 0.770 59.935 59.018 0.245 0.000 1.765 106 C CB -1.548 26.411 27.740 0.365 0.000 1.893 106 C HN 0.416 nan 8.230 nan 0.000 0.531 107 T N 2.999 117.652 114.554 0.164 0.000 2.665 107 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 107 T C -0.281 174.494 174.700 0.125 0.000 1.035 107 T CA 2.732 64.916 62.100 0.140 0.000 1.151 107 T CB -1.310 67.589 68.868 0.052 0.000 0.862 107 T HN 0.462 nan 8.240 nan 0.000 0.438 108 P HA -0.088 nan 4.420 nan 0.000 0.216 108 P C 1.726 179.037 177.300 0.020 0.000 1.153 108 P CA 1.351 64.451 63.100 0.001 0.000 0.858 108 P CB -0.517 31.140 31.700 -0.072 0.000 0.789 109 G N -1.666 107.144 108.800 0.016 0.000 2.440 109 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 109 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 109 G C 1.345 176.234 174.900 -0.020 0.000 1.154 109 G CA 0.462 45.550 45.100 -0.020 0.000 0.767 109 G HN 0.173 nan 8.290 nan 0.000 0.552 110 F N 0.670 120.629 119.950 0.014 0.000 2.084 110 F HA 0.005 4.532 4.527 0.000 0.000 0.296 110 F C 2.716 178.521 175.800 0.008 0.000 1.111 110 F CA 0.712 58.730 58.000 0.030 0.000 1.224 110 F CB -0.102 38.925 39.000 0.045 0.000 0.991 110 F HN -0.018 nan 8.300 nan 0.000 0.471 111 I N -0.222 120.461 120.570 0.188 0.000 2.118 111 I HA -0.295 3.875 4.170 -0.000 0.000 0.241 111 I C 2.442 178.559 176.117 -0.000 0.000 1.070 111 I CA 1.402 62.742 61.300 0.068 0.000 1.327 111 I CB -1.434 36.587 38.000 0.036 0.000 1.034 111 I HN -0.014 nan 8.210 nan 0.000 0.405 112 V N -0.015 119.899 119.914 -0.001 0.000 2.343 112 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 112 V C 2.706 178.786 176.094 -0.023 0.000 1.051 112 V CA 2.104 64.388 62.300 -0.027 0.000 1.036 112 V CB -0.655 31.155 31.823 -0.022 0.000 0.654 112 V HN 0.391 nan 8.190 nan 0.000 0.451 113 S N -1.092 114.601 115.700 -0.012 0.000 2.383 113 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 113 S C 1.964 176.592 174.600 0.046 0.000 1.026 113 S CA 1.641 59.834 58.200 -0.011 0.000 0.981 113 S CB -0.224 62.934 63.200 -0.070 0.000 0.818 113 S HN 0.490 nan 8.310 nan 0.000 0.472 114 M N 0.582 120.232 119.600 0.083 0.000 2.123 114 M HA -0.017 4.463 4.480 -0.000 0.000 0.263 114 M C 2.448 178.803 176.300 0.092 0.000 1.069 114 M CA 1.381 56.761 55.300 0.133 0.000 1.133 114 M CB -0.490 32.190 32.600 0.133 0.000 1.356 114 M HN 0.411 nan 8.290 nan 0.000 0.415 115 A N 0.545 123.339 122.820 -0.044 0.000 1.908 115 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 115 A C 2.355 179.938 177.584 -0.003 0.000 1.181 115 A CA 1.991 53.931 52.037 -0.162 0.000 0.627 115 A CB -0.943 17.818 19.000 -0.398 0.000 0.818 115 A HN 0.504 nan 8.150 nan 0.000 0.445 116 A N -0.254 122.567 122.820 0.000 0.000 1.933 116 A HA 0.173 4.492 4.320 -0.000 0.000 0.218 116 A C 2.470 180.078 177.584 0.040 0.000 1.175 116 A CA 2.012 54.057 52.037 0.014 0.000 0.628 116 A CB -0.910 18.088 19.000 -0.004 0.000 0.814 116 A HN 1.058 nan 8.150 nan 0.000 0.444 117 A N -1.701 121.163 122.820 0.072 0.000 1.969 117 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 117 A C 2.120 179.767 177.584 0.105 0.000 1.169 117 A CA 1.585 53.670 52.037 0.079 0.000 0.635 117 A CB -0.823 18.257 19.000 0.133 0.000 0.810 117 A HN 0.712 nan 8.150 nan 0.000 0.445 118 H N -0.572 118.543 119.070 0.075 0.000 2.428 118 H HA -0.106 4.450 4.556 -0.000 0.000 0.296 118 H C 1.635 176.990 175.328 0.045 0.000 1.062 118 H CA 1.789 57.893 56.048 0.092 0.000 1.350 118 H CB -0.030 29.826 29.762 0.158 0.000 1.403 118 H HN 0.563 nan 8.280 nan 0.000 0.533 119 D N -0.161 120.327 120.400 0.147 0.000 2.144 119 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 119 D C 2.000 178.297 176.300 -0.004 0.000 0.978 119 D CA 0.728 54.767 54.000 0.065 0.000 0.833 119 D CB 0.186 41.009 40.800 0.038 0.000 0.961 119 D HN 0.232 nan 8.370 nan 0.000 0.470 120 R N -0.104 120.387 120.500 -0.014 0.000 2.317 120 R HA 0.034 4.374 4.340 -0.000 0.000 0.208 120 R C 0.035 176.298 176.300 -0.063 0.000 0.914 120 R CA 0.460 56.538 56.100 -0.036 0.000 1.060 120 R CB 0.245 30.525 30.300 -0.033 0.000 1.015 120 R HN 0.053 nan 8.270 nan 0.000 0.498 121 D N 1.507 121.853 120.400 -0.089 0.000 2.689 121 D HA -0.151 4.489 4.640 -0.000 0.000 0.237 121 D C -0.830 175.406 176.300 -0.107 0.000 1.148 121 D CA 0.646 54.571 54.000 -0.126 0.000 0.656 121 D CB -0.295 40.430 40.800 -0.125 0.000 1.050 121 D HN 0.020 nan 8.370 nan 0.000 0.426 122 R N 0.453 120.891 120.500 -0.104 0.000 2.404 122 R HA 0.394 4.734 4.340 -0.000 0.000 0.291 122 R C 1.306 177.426 176.300 -0.301 0.000 1.025 122 R CA -0.304 55.702 56.100 -0.157 0.000 0.991 122 R CB 0.881 31.105 30.300 -0.127 0.000 1.053 122 R HN 0.214 nan 8.270 nan 0.000 0.479 123 K N 0.556 120.710 120.400 -0.409 0.000 2.477 123 K HA 0.034 4.354 4.320 -0.000 0.000 0.208 123 K C -0.427 175.667 176.600 -0.842 0.000 1.117 123 K CA 0.012 55.859 56.287 -0.733 0.000 1.039 123 K CB 0.779 33.105 32.500 -0.290 0.000 0.937 123 K HN 0.513 nan 8.250 nan 0.000 0.570 124 D N 0.710 120.802 120.400 -0.513 0.000 2.619 124 D HA -0.023 4.617 4.640 -0.000 0.000 0.224 124 D C 0.332 176.494 176.300 -0.230 0.000 1.133 124 D CA -0.333 53.492 54.000 -0.292 0.000 1.017 124 D CB -0.324 40.385 40.800 -0.152 0.000 1.077 124 D HN 0.143 nan 8.370 nan 0.000 0.503 125 Y N 0.216 120.526 120.300 0.017 0.000 2.403 125 Y HA -0.135 4.415 4.550 -0.000 0.000 0.291 125 Y C 1.782 177.699 175.900 0.028 0.000 1.143 125 Y CA 0.559 58.680 58.100 0.035 0.000 1.257 125 Y CB 0.029 38.521 38.460 0.053 0.000 0.984 125 Y HN 0.192 nan 8.280 nan 0.000 0.550 126 D N -0.045 120.428 120.400 0.122 0.000 2.183 126 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 126 D C 1.314 177.630 176.300 0.026 0.000 0.969 126 D CA 1.192 55.228 54.000 0.060 0.000 0.842 126 D CB -0.077 40.744 40.800 0.033 0.000 0.957 126 D HN 0.398 nan 8.370 nan 0.000 0.484 127 D N -0.294 120.112 120.400 0.010 0.000 2.197 127 D HA -0.034 4.606 4.640 -0.000 0.000 0.212 127 D C 2.160 178.460 176.300 0.000 0.000 0.963 127 D CA 0.058 54.058 54.000 -0.000 0.000 0.864 127 D CB -0.172 40.619 40.800 -0.015 0.000 1.009 127 D HN 0.047 nan 8.370 nan 0.000 0.479 128 L N 0.538 121.760 121.223 -0.001 0.000 2.042 128 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 128 L C 2.181 179.056 176.870 0.008 0.000 1.076 128 L CA 1.432 56.275 54.840 0.005 0.000 0.749 128 L CB -0.842 41.227 42.059 0.018 0.000 0.893 128 L HN 0.078 nan 8.230 nan 0.000 0.432 129 L N -1.825 119.423 121.223 0.041 0.000 2.607 129 L HA 0.171 4.511 4.340 -0.000 0.000 0.228 129 L C 2.383 179.224 176.870 -0.049 0.000 1.123 129 L CA 0.303 55.142 54.840 -0.002 0.000 0.890 129 L CB -0.580 41.579 42.059 0.165 0.000 1.103 129 L HN 0.138 nan 8.230 nan 0.000 0.468 130 A N 1.208 124.011 122.820 -0.028 0.000 1.915 130 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 130 A C 2.149 179.705 177.584 -0.047 0.000 1.198 130 A CA 2.179 54.193 52.037 -0.038 0.000 0.647 130 A CB -1.157 17.838 19.000 -0.007 0.000 0.825 130 A HN 0.445 nan 8.150 nan 0.000 0.456 131 G N -1.108 107.660 108.800 -0.053 0.000 3.124 131 G HA2 0.207 4.167 3.960 -0.000 0.000 0.212 131 G HA3 0.207 4.167 3.960 -0.000 0.000 0.212 131 G C 0.007 174.841 174.900 -0.110 0.000 1.181 131 G CA -0.027 45.041 45.100 -0.053 0.000 0.803 131 G HN 0.553 nan 8.290 nan 0.000 0.529 132 N N 0.398 118.973 118.700 -0.209 0.000 2.501 132 N HA 0.445 5.185 4.740 -0.000 0.000 0.245 132 N C -0.653 174.835 175.510 -0.037 0.000 0.974 132 N CA -0.334 52.468 53.050 -0.414 0.000 0.941 132 N CB 1.907 39.611 38.487 -1.304 0.000 1.122 132 N HN 0.000 nan 8.380 nan 0.000 0.507 133 L N 1.656 122.969 121.223 0.150 0.000 2.292 133 L HA 0.491 4.831 4.340 -0.000 0.000 0.284 133 L C -0.304 176.844 176.870 0.463 0.000 1.065 133 L CA -0.670 54.389 54.840 0.365 0.000 0.806 133 L CB 0.974 43.168 42.059 0.226 0.000 1.175 133 L HN 0.532 nan 8.230 nan 0.000 0.431 134 C N 3.672 123.237 119.300 0.442 0.000 2.441 134 C HA 0.473 4.933 4.460 -0.000 0.000 0.318 134 C C 1.063 175.994 174.990 -0.099 0.000 1.222 134 C CA -0.667 58.403 59.018 0.087 0.000 1.474 134 C CB 1.601 29.231 27.740 -0.184 0.000 2.125 134 C HN 0.967 nan 8.230 nan 0.000 0.479 135 R N 2.390 122.869 120.500 -0.034 0.000 2.254 135 R HA 0.243 4.583 4.340 -0.000 0.000 0.195 135 R C 1.452 177.699 176.300 -0.088 0.000 0.957 135 R CA 1.468 57.544 56.100 -0.039 0.000 1.024 135 R CB -0.642 29.660 30.300 0.004 0.000 0.952 135 R HN 0.886 nan 8.270 nan 0.000 0.484 136 C N -1.489 117.740 119.300 -0.119 0.000 2.543 136 C HA 0.118 4.578 4.460 -0.000 0.000 0.289 136 C C 2.476 177.382 174.990 -0.139 0.000 1.368 136 C CA 0.961 59.917 59.018 -0.103 0.000 1.778 136 C CB -0.246 27.451 27.740 -0.070 0.000 2.155 136 C HN 0.651 nan 8.230 nan 0.000 0.529 137 T N -1.783 112.643 114.554 -0.213 0.000 2.942 137 T HA 0.223 4.573 4.350 -0.000 0.000 0.265 137 T C 1.608 176.203 174.700 -0.175 0.000 1.062 137 T CA 1.840 63.826 62.100 -0.189 0.000 1.139 137 T CB -0.436 68.297 68.868 -0.225 0.000 0.883 137 T HN 1.089 nan 8.240 nan 0.000 0.468 138 G N 0.220 108.854 108.800 -0.278 0.000 2.157 138 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 138 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 138 G C 0.612 175.516 174.900 0.007 0.000 0.979 138 G CA 0.344 45.367 45.100 -0.128 0.000 0.650 138 G HN 0.663 nan 8.290 nan 0.000 0.529 139 Y N -2.675 117.616 120.300 -0.016 0.000 3.299 139 Y HA -0.388 4.162 4.550 -0.000 0.000 0.448 139 Y C 2.778 178.659 175.900 -0.031 0.000 1.224 139 Y CA 2.472 60.558 58.100 -0.023 0.000 2.431 139 Y CB -1.863 36.628 38.460 0.053 0.000 0.866 139 Y HN 1.226 nan 8.280 nan 0.000 0.499 140 A N 0.385 123.276 122.820 0.118 0.000 1.903 140 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 140 A C 0.050 177.646 177.584 0.019 0.000 1.191 140 A CA 2.407 54.483 52.037 0.064 0.000 0.638 140 A CB -1.707 17.324 19.000 0.052 0.000 0.823 140 A HN 0.509 nan 8.150 nan 0.000 0.451 141 P HA -0.078 nan 4.420 nan 0.000 0.219 141 P C 1.495 178.766 177.300 -0.048 0.000 1.150 141 P CA 0.936 64.040 63.100 0.006 0.000 0.814 141 P CB -0.185 31.534 31.700 0.031 0.000 0.787 142 I N -0.549 119.971 120.570 -0.084 0.000 2.315 142 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 142 I C 2.687 178.734 176.117 -0.117 0.000 1.117 142 I CA 0.956 62.177 61.300 -0.132 0.000 1.404 142 I CB -0.583 37.267 38.000 -0.251 0.000 1.071 142 I HN -0.109 nan 8.210 nan 0.000 0.419 143 L N 0.811 121.987 121.223 -0.079 0.000 2.017 143 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 143 L C 2.881 179.615 176.870 -0.226 0.000 1.073 143 L CA 1.660 56.418 54.840 -0.137 0.000 0.745 143 L CB -0.335 41.702 42.059 -0.036 0.000 0.894 143 L HN 0.235 nan 8.230 nan 0.000 0.432 144 R N -0.462 119.914 120.500 -0.207 0.000 2.091 144 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 144 R C 2.258 178.198 176.300 -0.600 0.000 1.136 144 R CA 1.420 57.300 56.100 -0.367 0.000 0.959 144 R CB -0.480 29.631 30.300 -0.316 0.000 0.856 144 R HN 0.444 nan 8.270 nan 0.000 0.437 145 A N 1.264 123.846 122.820 -0.397 0.000 1.898 145 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 145 A C 2.385 179.852 177.584 -0.195 0.000 1.181 145 A CA 1.556 53.455 52.037 -0.230 0.000 0.620 145 A CB -0.571 18.392 19.000 -0.061 0.000 0.819 145 A HN 0.390 nan 8.150 nan 0.000 0.442 146 A N -0.263 122.389 122.820 -0.280 0.000 1.933 146 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 146 A C 1.912 179.255 177.584 -0.403 0.000 1.175 146 A CA 1.675 53.461 52.037 -0.419 0.000 0.628 146 A CB -0.438 18.051 19.000 -0.852 0.000 0.814 146 A HN 0.639 nan 8.150 nan 0.000 0.444 147 E N -0.389 119.602 120.200 -0.348 0.000 2.112 147 E HA 0.024 4.374 4.350 -0.000 0.000 0.190 147 E C 2.314 178.882 176.600 -0.054 0.000 0.979 147 E CA 0.709 57.022 56.400 -0.145 0.000 0.814 147 E CB -0.230 29.401 29.700 -0.115 0.000 0.762 147 E HN 0.604 nan 8.360 nan 0.000 0.460 148 A N 1.561 124.320 122.820 -0.102 0.000 1.877 148 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 148 A C 2.394 180.015 177.584 0.061 0.000 1.186 148 A CA 1.671 53.706 52.037 -0.004 0.000 0.620 148 A CB -0.681 18.342 19.000 0.039 0.000 0.822 148 A HN 0.285 nan 8.150 nan 0.000 0.443 149 A N -0.315 122.545 122.820 0.066 0.000 2.019 149 A HA 0.213 4.532 4.320 -0.000 0.000 0.219 149 A C 2.378 180.131 177.584 0.282 0.000 1.164 149 A CA 1.768 53.888 52.037 0.139 0.000 0.644 149 A CB -0.813 18.258 19.000 0.119 0.000 0.805 149 A HN 1.044 nan 8.150 nan 0.000 0.449 150 A N -0.424 122.527 122.820 0.219 0.000 1.972 150 A HA 0.128 4.448 4.320 -0.000 0.000 0.219 150 A C 2.149 179.802 177.584 0.116 0.000 1.169 150 A CA 1.579 53.728 52.037 0.186 0.000 0.635 150 A CB -1.039 18.069 19.000 0.180 0.000 0.810 150 A HN 0.784 nan 8.150 nan 0.000 0.446 151 G N -0.723 108.143 108.800 0.110 0.000 2.956 151 G HA2 0.225 4.185 3.960 -0.000 0.000 0.207 151 G HA3 0.225 4.185 3.960 -0.000 0.000 0.207 151 G C 0.201 175.154 174.900 0.089 0.000 1.162 151 G CA -0.122 45.025 45.100 0.077 0.000 0.796 151 G HN 0.403 nan 8.290 nan 0.000 0.527 152 E N 1.030 121.323 120.200 0.154 0.000 2.191 152 E HA 0.301 4.651 4.350 -0.000 0.000 0.274 152 E C -2.451 174.250 176.600 0.169 0.000 0.948 152 E CA -2.205 54.281 56.400 0.142 0.000 0.802 152 E CB 1.956 31.726 29.700 0.117 0.000 1.137 152 E HN 0.002 nan 8.360 nan 0.000 0.397 153 P HA 0.162 nan 4.420 nan 0.000 0.268 153 P C -2.469 174.891 177.300 0.100 0.000 1.205 153 P CA -1.097 62.041 63.100 0.064 0.000 0.771 153 P CB -0.454 31.261 31.700 0.025 0.000 0.858 154 P HA 0.078 nan 4.420 nan 0.000 0.269 154 P C -0.324 176.873 177.300 -0.172 0.000 1.215 154 P CA 0.021 63.175 63.100 0.090 0.000 0.780 154 P CB 0.234 31.949 31.700 0.025 0.000 0.898 155 A N 2.172 124.739 122.820 -0.422 0.000 2.444 155 A HA 0.110 4.430 4.320 -0.000 0.000 0.273 155 A C 1.012 178.204 177.584 -0.655 0.000 1.136 155 A CA -0.187 51.269 52.037 -0.968 0.000 0.799 155 A CB -0.405 17.564 19.000 -1.718 0.000 1.081 155 A HN 0.637 nan 8.150 nan 0.000 0.509 156 D N 1.924 122.114 120.400 -0.350 0.000 2.219 156 D HA -0.227 4.412 4.640 -0.000 0.000 0.205 156 D C 1.305 177.598 176.300 -0.010 0.000 0.970 156 D CA 1.607 55.554 54.000 -0.090 0.000 0.851 156 D CB -0.526 40.303 40.800 0.049 0.000 0.943 156 D HN 0.841 nan 8.370 nan 0.000 0.488 157 W N 0.882 122.199 121.300 0.029 0.000 2.436 157 W HA 0.192 4.852 4.660 -0.000 0.000 0.284 157 W C 1.604 178.149 176.519 0.043 0.000 1.225 157 W CA 0.072 57.436 57.345 0.032 0.000 1.271 157 W CB -0.679 28.797 29.460 0.027 0.000 1.114 157 W HN -0.091 nan 8.180 nan 0.000 0.559 158 L N 0.855 121.832 121.223 -0.410 0.000 2.156 158 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 158 L C 2.753 179.574 176.870 -0.081 0.000 1.095 158 L CA 1.422 56.147 54.840 -0.191 0.000 0.770 158 L CB -0.791 41.099 42.059 -0.282 0.000 0.914 158 L HN 0.127 nan 8.230 nan 0.000 0.439 159 Q N -0.266 119.471 119.800 -0.105 0.000 2.311 159 Q HA -0.058 4.282 4.340 -0.000 0.000 0.203 159 Q C 2.347 178.351 176.000 0.006 0.000 0.954 159 Q CA 0.995 56.773 55.803 -0.042 0.000 0.885 159 Q CB -0.095 28.612 28.738 -0.052 0.000 0.963 159 Q HN 0.508 nan 8.270 nan 0.000 0.471 160 A N 1.388 124.226 122.820 0.030 0.000 2.125 160 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 160 A C 1.167 178.792 177.584 0.070 0.000 1.156 160 A CA 1.436 53.510 52.037 0.061 0.000 0.671 160 A CB -0.220 18.836 19.000 0.093 0.000 0.794 160 A HN 0.216 nan 8.150 nan 0.000 0.459 161 D N 0.117 120.555 120.400 0.063 0.000 2.350 161 D HA 0.063 4.703 4.640 -0.000 0.000 0.216 161 D C 1.956 178.319 176.300 0.104 0.000 0.968 161 D CA 0.973 55.016 54.000 0.071 0.000 0.894 161 D CB -0.255 40.569 40.800 0.040 0.000 0.909 161 D HN 0.471 nan 8.370 nan 0.000 0.520 162 A N 0.959 123.825 122.820 0.077 0.000 2.019 162 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 162 A C 2.193 179.831 177.584 0.089 0.000 1.164 162 A CA 1.593 53.673 52.037 0.073 0.000 0.644 162 A CB -0.402 18.622 19.000 0.040 0.000 0.805 162 A HN 0.227 nan 8.150 nan 0.000 0.449 163 A N -1.607 121.272 122.820 0.097 0.000 2.235 163 A HA 0.333 4.653 4.320 -0.000 0.000 0.208 163 A C 0.613 178.268 177.584 0.118 0.000 1.172 163 A CA -0.218 51.870 52.037 0.085 0.000 0.786 163 A CB -0.577 18.465 19.000 0.070 0.000 0.804 163 A HN 0.470 nan 8.150 nan 0.000 0.479 164 F N -0.283 119.673 119.950 0.010 0.000 2.418 164 F HA 0.369 4.896 4.527 -0.000 0.000 0.341 164 F C 1.630 177.432 175.800 0.004 0.000 1.120 164 F CA 1.111 59.117 58.000 0.009 0.000 1.232 164 F CB 0.608 39.618 39.000 0.018 0.000 1.175 164 F HN 0.200 nan 8.300 nan 0.000 0.569 165 T N 2.685 116.599 114.554 -1.066 0.000 9.777 165 T HA -0.270 4.080 4.350 -0.000 0.000 0.380 165 T C 0.498 174.996 174.700 -0.336 0.000 1.708 165 T CA 1.590 63.209 62.100 -0.801 0.000 2.643 165 T CB -1.521 66.943 68.868 -0.674 0.000 2.761 165 T HN 0.512 nan 8.240 nan 0.000 1.136 180 A N 0.094 122.972 122.820 0.098 0.000 2.573 180 A HA 0.542 4.862 4.320 -0.000 0.000 0.299 180 A C -1.945 175.678 177.584 0.065 0.000 1.060 180 A CA -0.545 51.561 52.037 0.114 0.000 0.736 180 A CB 0.409 19.537 19.000 0.213 0.000 1.280 180 A HN 0.004 nan 8.150 nan 0.000 0.401 181 F N 1.990 121.781 119.950 -0.264 0.000 2.427 181 F HA 0.672 5.199 4.527 -0.000 0.000 0.352 181 F C -0.589 175.014 175.800 -0.329 0.000 1.100 181 F CA -0.771 56.924 58.000 -0.509 0.000 1.191 181 F CB 1.030 39.222 39.000 -1.346 0.000 1.128 181 F HN 0.339 nan 8.300 nan 0.000 0.533 182 L N 8.794 129.445 121.223 -0.954 0.000 2.417 182 L HA 0.402 4.742 4.340 -0.000 0.000 0.259 182 L C -2.137 174.124 176.870 -1.014 0.000 1.023 182 L CA -1.676 52.729 54.840 -0.725 0.000 0.901 182 L CB 0.882 42.674 42.059 -0.444 0.000 1.227 182 L HN 0.455 nan 8.230 nan 0.000 0.454 183 P HA 0.121 nan 4.420 nan 0.000 0.269 183 P C -0.132 176.986 177.300 -0.303 0.000 1.215 183 P CA -0.162 62.543 63.100 -0.659 0.000 0.780 183 P CB 1.541 33.083 31.700 -0.263 0.000 0.898 184 E N 0.251 120.345 120.200 -0.176 0.000 2.110 184 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 184 E C 0.871 177.446 176.600 -0.042 0.000 0.950 184 E CA 1.264 57.606 56.400 -0.096 0.000 0.840 184 E CB -0.436 29.221 29.700 -0.072 0.000 0.809 184 E HN 0.646 nan 8.360 nan 0.000 0.465 185 T N -2.212 112.336 114.554 -0.010 0.000 2.930 185 T HA 0.394 4.744 4.350 -0.000 0.000 0.290 185 T C 1.072 175.800 174.700 0.046 0.000 1.052 185 T CA -0.540 61.572 62.100 0.019 0.000 1.017 185 T CB 1.858 70.745 68.868 0.033 0.000 1.137 185 T HN -0.233 nan 8.240 nan 0.000 0.511 186 S N 0.680 116.421 115.700 0.068 0.000 2.400 186 S HA -0.122 4.348 4.470 -0.000 0.000 0.232 186 S C 1.340 176.044 174.600 0.174 0.000 1.025 186 S CA 1.615 59.890 58.200 0.125 0.000 0.993 186 S CB -0.590 62.720 63.200 0.184 0.000 0.808 186 S HN 0.816 nan 8.310 nan 0.000 0.478 187 D N 1.925 122.410 120.400 0.141 0.000 2.117 187 D HA 0.010 4.650 4.640 -0.000 0.000 0.197 187 D C 2.147 178.546 176.300 0.164 0.000 0.987 187 D CA 1.220 55.308 54.000 0.146 0.000 0.829 187 D CB -0.452 40.411 40.800 0.104 0.000 0.961 187 D HN 0.400 nan 8.370 nan 0.000 0.460 188 A N 0.431 123.345 122.820 0.156 0.000 1.902 188 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 188 A C 2.077 179.850 177.584 0.316 0.000 1.181 188 A CA 1.106 53.275 52.037 0.219 0.000 0.623 188 A CB -0.729 18.384 19.000 0.189 0.000 0.818 188 A HN 0.271 nan 8.150 nan 0.000 0.443 189 L N -0.205 121.166 121.223 0.246 0.000 2.005 189 L HA 0.000 4.340 4.340 -0.000 0.000 0.207 189 L C 2.619 179.633 176.870 0.239 0.000 1.072 189 L CA 2.331 57.310 54.840 0.232 0.000 0.744 189 L CB -0.932 41.078 42.059 -0.081 0.000 0.895 189 L HN 0.312 nan 8.230 nan 0.000 0.433 190 A N -0.479 122.489 122.820 0.246 0.000 1.917 190 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 190 A C 2.005 179.768 177.584 0.298 0.000 1.182 190 A CA 2.134 54.415 52.037 0.406 0.000 0.633 190 A CB -0.991 18.260 19.000 0.418 0.000 0.819 190 A HN 0.621 nan 8.150 nan 0.000 0.448 191 D N -1.631 118.910 120.400 0.236 0.000 2.078 191 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 191 D C 1.664 178.059 176.300 0.158 0.000 0.990 191 D CA 1.474 55.574 54.000 0.168 0.000 0.827 191 D CB -0.536 40.356 40.800 0.154 0.000 0.975 191 D HN 0.761 nan 8.370 nan 0.000 0.451 192 W N 0.539 121.840 121.300 0.002 0.000 2.358 192 W HA -0.250 4.410 4.660 -0.000 0.000 0.303 192 W C 2.225 178.792 176.519 0.080 0.000 1.208 192 W CA 1.040 58.333 57.345 -0.086 0.000 1.274 192 W CB -0.454 28.686 29.460 -0.533 0.000 1.138 192 W HN -0.014 nan 8.180 nan 0.000 0.515 193 Y N 0.201 120.597 120.300 0.161 0.000 2.457 193 Y HA -0.083 4.467 4.550 -0.000 0.000 0.292 193 Y C 2.054 177.925 175.900 -0.048 0.000 1.125 193 Y CA 1.502 59.618 58.100 0.027 0.000 1.254 193 Y CB -0.675 37.888 38.460 0.171 0.000 1.012 193 Y HN 0.029 nan 8.280 nan 0.000 0.555 194 L N 0.305 121.490 121.223 -0.064 0.000 2.072 194 L HA 0.042 4.382 4.340 -0.000 0.000 0.205 194 L C 2.340 179.044 176.870 -0.277 0.000 1.079 194 L CA 2.061 56.807 54.840 -0.156 0.000 0.752 194 L CB -1.061 40.979 42.059 -0.030 0.000 0.906 194 L HN 0.150 nan 8.230 nan 0.000 0.436 195 A N -1.930 120.691 122.820 -0.333 0.000 2.014 195 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 195 A C 0.733 177.829 177.584 -0.814 0.000 1.163 195 A CA 0.836 52.561 52.037 -0.520 0.000 0.652 195 A CB -0.567 18.111 19.000 -0.537 0.000 0.808 195 A HN 0.609 nan 8.150 nan 0.000 0.449 196 H N -0.550 118.146 119.070 -0.624 0.000 2.418 196 H HA 0.197 4.753 4.556 -0.000 0.000 0.238 196 H C -2.054 172.939 175.328 -0.559 0.000 1.403 196 H CA -1.557 54.108 56.048 -0.638 0.000 1.419 196 H CB 0.687 29.830 29.762 -1.031 0.000 1.463 196 H HN 0.356 nan 8.280 nan 0.000 0.515 197 P HA -0.108 nan 4.420 nan 0.000 0.223 197 P C 0.983 178.125 177.300 -0.262 0.000 1.151 197 P CA 0.894 63.721 63.100 -0.455 0.000 0.787 197 P CB 0.613 32.136 31.700 -0.296 0.000 0.788 198 E N -0.064 120.056 120.200 -0.133 0.000 2.349 198 E HA 0.354 4.704 4.350 -0.000 0.000 0.201 198 E C -0.076 176.562 176.600 0.063 0.000 1.087 198 E CA -0.514 55.874 56.400 -0.019 0.000 1.128 198 E CB -0.713 28.973 29.700 -0.024 0.000 1.188 198 E HN 0.112 nan 8.360 nan 0.000 0.445 199 A N -0.204 122.699 122.820 0.138 0.000 2.316 199 A HA 0.445 4.765 4.320 -0.000 0.000 0.284 199 A C 0.122 177.890 177.584 0.307 0.000 1.115 199 A CA -0.521 51.666 52.037 0.249 0.000 0.812 199 A CB 0.617 19.816 19.000 0.331 0.000 1.064 199 A HN 0.195 nan 8.150 nan 0.000 0.489 200 T N 3.521 118.212 114.554 0.229 0.000 2.782 200 T HA 0.371 4.721 4.350 -0.000 0.000 0.298 200 T C 0.006 174.745 174.700 0.065 0.000 0.944 200 T CA 0.154 62.354 62.100 0.166 0.000 1.001 200 T CB -0.530 68.418 68.868 0.132 0.000 0.932 200 T HN 0.401 nan 8.240 nan 0.000 0.524 201 L N 4.707 125.949 121.223 0.030 0.000 2.313 201 L HA 0.458 4.798 4.340 -0.000 0.000 0.282 201 L C 0.120 176.899 176.870 -0.152 0.000 1.092 201 L CA -0.388 54.391 54.840 -0.101 0.000 0.831 201 L CB 0.412 42.360 42.059 -0.186 0.000 1.159 201 L HN 0.523 nan 8.230 nan 0.000 0.442 202 I N 2.934 123.350 120.570 -0.256 0.000 2.382 202 I HA 0.339 4.509 4.170 -0.000 0.000 0.285 202 I C 0.640 176.693 176.117 -0.106 0.000 1.007 202 I CA -0.145 61.006 61.300 -0.247 0.000 1.142 202 I CB 1.764 39.487 38.000 -0.461 0.000 1.289 202 I HN 0.773 nan 8.210 nan 0.000 0.453 203 A N 5.043 127.822 122.820 -0.067 0.000 2.250 203 A HA 0.344 4.664 4.320 -0.000 0.000 0.222 203 A C 1.907 179.484 177.584 -0.011 0.000 1.768 203 A CA 1.014 53.032 52.037 -0.033 0.000 0.660 203 A CB -1.074 17.902 19.000 -0.039 0.000 1.318 203 A HN 0.703 nan 8.150 nan 0.000 0.527 204 G N -1.762 107.020 108.800 -0.029 0.000 2.603 204 G HA2 0.362 4.322 3.960 -0.000 0.000 0.214 204 G HA3 0.362 4.322 3.960 -0.000 0.000 0.214 204 G C 1.145 176.029 174.900 -0.027 0.000 1.140 204 G CA 0.777 45.860 45.100 -0.028 0.000 0.800 204 G HN 1.876 nan 8.290 nan 0.000 0.533 205 G N 0.363 109.130 108.800 -0.054 0.000 2.273 205 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 205 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 205 G C 1.036 175.874 174.900 -0.103 0.000 1.047 205 G CA 1.536 46.577 45.100 -0.097 0.000 0.869 205 G HN 1.180 nan 8.290 nan 0.000 0.502 206 T N -4.630 109.873 114.554 -0.084 0.000 3.037 206 T HA 0.199 4.549 4.350 -0.000 0.000 0.251 206 T C 1.406 176.054 174.700 -0.087 0.000 1.079 206 T CA 1.254 63.320 62.100 -0.056 0.000 1.067 206 T CB 0.412 69.282 68.868 0.003 0.000 0.948 206 T HN 0.135 nan 8.240 nan 0.000 0.496 207 D N 1.134 121.440 120.400 -0.157 0.000 2.338 207 D HA 0.151 4.791 4.640 -0.000 0.000 0.224 207 D C 2.299 178.214 176.300 -0.643 0.000 0.967 207 D CA 0.472 54.342 54.000 -0.218 0.000 0.896 207 D CB -0.046 40.689 40.800 -0.108 0.000 1.028 207 D HN 0.223 nan 8.370 nan 0.000 0.493 208 V N 1.965 121.374 119.914 -0.843 0.000 2.343 208 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 208 V C 2.539 178.213 176.094 -0.699 0.000 1.051 208 V CA 2.100 63.615 62.300 -1.307 0.000 1.036 208 V CB -0.705 30.645 31.823 -0.789 0.000 0.654 208 V HN 0.247 nan 8.190 nan 0.000 0.451 209 S N -0.277 115.221 115.700 -0.337 0.000 2.474 209 S HA -0.022 4.448 4.470 -0.000 0.000 0.235 209 S C 1.795 176.364 174.600 -0.052 0.000 0.997 209 S CA 1.026 59.151 58.200 -0.125 0.000 0.949 209 S CB -0.529 62.634 63.200 -0.061 0.000 0.766 209 S HN 0.553 nan 8.310 nan 0.000 0.517 210 L N -0.791 120.382 121.223 -0.084 0.000 2.240 210 L HA 0.075 4.415 4.340 -0.000 0.000 0.211 210 L C 2.408 179.414 176.870 0.227 0.000 1.106 210 L CA 0.495 55.373 54.840 0.064 0.000 0.793 210 L CB -0.520 41.588 42.059 0.082 0.000 0.927 210 L HN 0.373 nan 8.230 nan 0.000 0.446 211 W N -0.521 120.803 121.300 0.040 0.000 2.381 211 W HA -0.108 4.552 4.660 -0.000 0.000 0.301 211 W C 2.508 179.049 176.519 0.038 0.000 1.205 211 W CA 0.804 58.171 57.345 0.037 0.000 1.285 211 W CB -1.260 28.220 29.460 0.034 0.000 1.133 211 W HN 0.025 nan 8.180 nan 0.000 0.521 212 V N 1.082 121.144 119.914 0.246 0.000 2.346 212 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 212 V C 2.328 178.494 176.094 0.120 0.000 1.037 212 V CA 3.196 65.591 62.300 0.159 0.000 1.029 212 V CB -0.747 31.149 31.823 0.121 0.000 0.663 212 V HN 0.241 nan 8.190 nan 0.000 0.454 213 T N -2.684 111.932 114.554 0.103 0.000 2.896 213 T HA -0.024 4.326 4.350 -0.000 0.000 0.263 213 T C 1.906 176.657 174.700 0.085 0.000 1.050 213 T CA 0.987 63.137 62.100 0.083 0.000 1.140 213 T CB -0.175 68.733 68.868 0.066 0.000 0.877 213 T HN 0.395 nan 8.240 nan 0.000 0.457 214 K N 0.990 121.450 120.400 0.101 0.000 2.306 214 K HA 0.490 4.810 4.320 -0.000 0.000 0.200 214 K C 2.466 179.123 176.600 0.095 0.000 1.083 214 K CA 0.922 57.265 56.287 0.092 0.000 0.959 214 K CB -0.426 32.129 32.500 0.092 0.000 0.994 214 K HN 0.404 nan 8.250 nan 0.000 0.492 215 A N 1.257 124.151 122.820 0.124 0.000 2.169 215 A HA 0.119 4.439 4.320 -0.000 0.000 0.212 215 A C 1.018 178.653 177.584 0.084 0.000 1.153 215 A CA 0.204 52.301 52.037 0.101 0.000 0.756 215 A CB -0.415 18.654 19.000 0.115 0.000 0.813 215 A HN 0.348 nan 8.150 nan 0.000 0.471 216 L N -1.413 119.868 121.223 0.097 0.000 3.839 216 L HA -0.243 4.097 4.340 -0.000 0.000 0.416 216 L C 0.811 177.730 176.870 0.081 0.000 1.195 216 L CA 0.229 55.118 54.840 0.083 0.000 0.946 216 L CB -1.476 40.620 42.059 0.061 0.000 1.891 216 L HN 0.552 nan 8.230 nan 0.000 0.963 217 R N 0.549 121.111 120.500 0.104 0.000 2.637 217 R HA 0.231 4.571 4.340 -0.000 0.000 0.269 217 R C 0.166 176.531 176.300 0.109 0.000 1.089 217 R CA -0.375 55.780 56.100 0.092 0.000 1.177 217 R CB 0.849 31.204 30.300 0.091 0.000 1.091 217 R HN 0.062 nan 8.270 nan 0.000 0.540 218 D N 1.544 121.997 120.400 0.090 0.000 2.228 218 D HA 0.331 4.971 4.640 -0.000 0.000 0.247 218 D C -1.143 175.223 176.300 0.111 0.000 0.995 218 D CA -0.442 53.614 54.000 0.094 0.000 0.903 218 D CB 1.243 42.084 40.800 0.069 0.000 1.205 218 D HN 0.295 nan 8.370 nan 0.000 0.459 219 L N 4.204 125.497 121.223 0.117 0.000 2.427 219 L HA 0.357 4.697 4.340 -0.000 0.000 0.264 219 L C -2.129 174.801 176.870 0.099 0.000 0.989 219 L CA -1.410 53.506 54.840 0.127 0.000 0.865 219 L CB 1.917 44.072 42.059 0.160 0.000 1.209 219 L HN 0.217 nan 8.230 nan 0.000 0.430 220 P HA 0.217 nan 4.420 nan 0.000 0.280 220 P C -0.513 176.845 177.300 0.097 0.000 1.272 220 P CA -0.428 62.722 63.100 0.083 0.000 0.819 220 P CB 0.931 32.672 31.700 0.069 0.000 1.122 221 E N -1.157 119.105 120.200 0.104 0.000 2.708 221 E HA -0.099 4.251 4.350 -0.000 0.000 0.150 221 E C -1.513 175.211 176.600 0.207 0.000 1.853 221 E CA 0.331 56.818 56.400 0.145 0.000 0.643 221 E CB -1.307 28.447 29.700 0.090 0.000 1.078 221 E HN 0.164 nan 8.360 nan 0.000 0.345 222 V N 1.742 121.763 119.914 0.179 0.000 2.555 222 V HA 0.903 5.023 4.120 -0.000 0.000 0.302 222 V C 0.256 176.316 176.094 -0.056 0.000 1.038 222 V CA -0.093 62.220 62.300 0.021 0.000 0.887 222 V CB 1.913 33.675 31.823 -0.102 0.000 0.991 222 V HN 0.647 nan 8.190 nan 0.000 0.434 223 A N 4.094 126.792 122.820 -0.202 0.000 2.374 223 A HA 0.861 5.181 4.320 -0.000 0.000 0.305 223 A C -1.280 176.052 177.584 -0.419 0.000 1.053 223 A CA -0.390 51.476 52.037 -0.284 0.000 0.726 223 A CB 0.953 19.858 19.000 -0.158 0.000 1.229 223 A HN 0.623 nan 8.150 nan 0.000 0.431 224 F N 2.900 122.761 119.950 -0.148 0.000 2.361 224 F HA 0.328 4.855 4.527 -0.000 0.000 0.364 224 F C 1.158 176.882 175.800 -0.127 0.000 1.120 224 F CA -0.315 57.619 58.000 -0.111 0.000 1.102 224 F CB 1.367 40.330 39.000 -0.062 0.000 1.183 224 F HN 0.540 nan 8.300 nan 0.000 0.476 225 L N 1.450 122.679 121.223 0.010 0.000 2.270 225 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 225 L C 2.226 179.073 176.870 -0.039 0.000 1.104 225 L CA 0.721 55.529 54.840 -0.053 0.000 0.804 225 L CB -0.541 41.462 42.059 -0.093 0.000 0.937 225 L HN 0.667 nan 8.230 nan 0.000 0.450 226 S N -1.657 114.019 115.700 -0.040 0.000 2.584 226 S HA -0.149 4.321 4.470 -0.000 0.000 0.240 226 S C 1.322 175.750 174.600 -0.287 0.000 0.975 226 S CA 0.648 58.757 58.200 -0.152 0.000 0.949 226 S CB -0.652 62.438 63.200 -0.183 0.000 0.761 226 S HN 0.478 nan 8.310 nan 0.000 0.536 227 H N -0.680 118.341 119.070 -0.083 0.000 2.594 227 H HA 0.337 4.893 4.556 -0.000 0.000 0.279 227 H C -0.394 174.874 175.328 -0.100 0.000 1.042 227 H CA -0.475 55.511 56.048 -0.103 0.000 1.177 227 H CB 0.149 29.829 29.762 -0.137 0.000 1.524 227 H HN 0.404 nan 8.280 nan 0.000 0.537 228 C N 2.002 121.295 119.300 -0.011 0.000 2.265 228 C HA 0.170 4.629 4.460 -0.000 0.000 0.332 228 C C 1.833 176.807 174.990 -0.027 0.000 1.248 228 C CA -0.635 58.370 59.018 -0.022 0.000 1.727 228 C CB 0.936 28.658 27.740 -0.029 0.000 2.348 228 C HN 0.488 nan 8.230 nan 0.000 0.519 229 K N 1.829 122.216 120.400 -0.022 0.000 1.985 229 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 229 K C 1.616 178.202 176.600 -0.023 0.000 1.047 229 K CA 1.908 58.179 56.287 -0.027 0.000 0.932 229 K CB -0.031 32.456 32.500 -0.023 0.000 0.716 229 K HN 0.797 nan 8.250 nan 0.000 0.439 230 D N 0.982 121.376 120.400 -0.010 0.000 2.350 230 D HA -0.170 4.470 4.640 -0.000 0.000 0.216 230 D C 1.633 177.936 176.300 0.005 0.000 0.968 230 D CA 0.718 54.716 54.000 -0.003 0.000 0.894 230 D CB -0.215 40.591 40.800 0.009 0.000 0.909 230 D HN 0.179 nan 8.370 nan 0.000 0.520 231 L N -0.423 120.804 121.223 0.007 0.000 2.446 231 L HA 0.216 4.556 4.340 -0.000 0.000 0.219 231 L C 1.316 178.181 176.870 -0.009 0.000 1.116 231 L CA 0.546 55.398 54.840 0.021 0.000 0.844 231 L CB 0.058 42.133 42.059 0.027 0.000 0.970 231 L HN 0.060 nan 8.230 nan 0.000 0.457 232 A N -0.509 122.292 122.820 -0.032 0.000 2.827 232 A HA 0.290 4.610 4.320 -0.000 0.000 0.300 232 A C -0.277 177.264 177.584 -0.070 0.000 1.237 232 A CA -0.374 51.631 52.037 -0.054 0.000 0.964 232 A CB -0.043 18.920 19.000 -0.062 0.000 1.143 232 A HN 0.180 nan 8.150 nan 0.000 0.554 233 Q N 0.191 119.949 119.800 -0.070 0.000 2.316 233 Q HA 0.492 4.832 4.340 -0.000 0.000 0.264 233 Q C -0.916 175.005 176.000 -0.132 0.000 0.987 233 Q CA -0.198 55.552 55.803 -0.090 0.000 0.852 233 Q CB 2.044 30.744 28.738 -0.062 0.000 1.287 233 Q HN 0.526 nan 8.270 nan 0.000 0.448 234 I N 3.039 123.488 120.570 -0.201 0.000 2.291 234 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 234 I C 0.204 176.176 176.117 -0.241 0.000 1.050 234 I CA -0.213 60.889 61.300 -0.330 0.000 1.245 234 I CB 0.517 38.127 38.000 -0.651 0.000 1.405 234 I HN 0.194 nan 8.210 nan 0.000 0.478 235 R N 4.276 124.694 120.500 -0.136 0.000 2.778 235 R HA 0.483 4.823 4.340 -0.000 0.000 0.277 235 R C -0.633 175.697 176.300 0.051 0.000 0.977 235 R CA -0.886 55.189 56.100 -0.042 0.000 0.950 235 R CB 2.105 32.389 30.300 -0.026 0.000 1.165 235 R HN 0.483 nan 8.270 nan 0.000 0.474 236 E N 1.229 121.486 120.200 0.095 0.000 2.115 236 E HA 0.139 4.489 4.350 -0.000 0.000 0.282 236 E C -0.953 175.677 176.600 0.050 0.000 0.987 236 E CA -0.184 56.310 56.400 0.157 0.000 0.797 236 E CB 1.457 31.280 29.700 0.205 0.000 1.086 236 E HN 0.348 nan 8.360 nan 0.000 0.397 237 T N 3.532 118.089 114.554 0.005 0.000 2.943 237 T HA 0.334 4.684 4.350 -0.000 0.000 0.284 237 T C -1.837 172.830 174.700 -0.055 0.000 1.015 237 T CA -2.152 59.933 62.100 -0.024 0.000 1.042 237 T CB 1.159 70.011 68.868 -0.026 0.000 1.055 237 T HN 0.385 nan 8.240 nan 0.000 0.500 238 P HA 0.038 nan 4.420 nan 0.000 0.236 238 P C -0.070 177.192 177.300 -0.064 0.000 1.172 238 P CA 0.916 63.989 63.100 -0.045 0.000 0.759 238 P CB -0.023 31.660 31.700 -0.029 0.000 0.843 239 D N -3.090 117.260 120.400 -0.084 0.000 2.335 239 D HA 0.266 4.906 4.640 -0.000 0.000 0.284 239 D C 1.100 177.319 176.300 -0.134 0.000 1.096 239 D CA -0.022 53.925 54.000 -0.088 0.000 0.844 239 D CB 0.150 40.917 40.800 -0.054 0.000 1.454 239 D HN 0.121 nan 8.370 nan 0.000 0.526 240 G N -0.953 107.734 108.800 -0.188 0.000 2.588 240 G HA2 0.437 4.396 3.960 -0.000 0.000 0.281 240 G HA3 0.437 4.396 3.960 -0.000 0.000 0.281 240 G C -1.957 172.725 174.900 -0.363 0.000 1.223 240 G CA -1.000 43.929 45.100 -0.286 0.000 0.871 240 G HN 0.055 nan 8.290 nan 0.000 0.492 241 Y N 0.530 120.887 120.300 0.095 0.000 2.326 241 Y HA 0.526 5.076 4.550 -0.000 0.000 0.331 241 Y C 0.809 176.710 175.900 0.001 0.000 0.962 241 Y CA -0.540 57.609 58.100 0.082 0.000 1.167 241 Y CB 2.248 40.848 38.460 0.233 0.000 1.148 241 Y HN 0.664 nan 8.280 nan 0.000 0.463 242 G N 4.955 113.815 108.800 0.100 0.000 2.396 242 G HA2 0.439 4.399 3.960 -0.000 0.000 0.292 242 G HA3 0.439 4.399 3.960 -0.000 0.000 0.292 242 G C -0.539 174.339 174.900 -0.037 0.000 1.106 242 G CA -0.265 44.845 45.100 0.017 0.000 1.055 242 G HN 0.636 nan 8.290 nan 0.000 0.424 243 I N 2.934 123.480 120.570 -0.040 0.000 2.328 243 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 243 I C 1.201 177.279 176.117 -0.065 0.000 1.012 243 I CA -0.599 60.649 61.300 -0.087 0.000 1.195 243 I CB 1.599 39.556 38.000 -0.071 0.000 1.350 243 I HN 0.487 nan 8.210 nan 0.000 0.464 244 G N 3.616 112.374 108.800 -0.070 0.000 2.614 244 G HA2 0.295 4.255 3.960 -0.000 0.000 0.239 244 G HA3 0.295 4.255 3.960 -0.000 0.000 0.239 244 G C 0.974 175.852 174.900 -0.036 0.000 1.240 244 G CA 0.076 45.150 45.100 -0.043 0.000 0.842 244 G HN 0.810 nan 8.290 nan 0.000 0.584 245 A N 0.608 123.421 122.820 -0.010 0.000 2.067 245 A HA 0.150 4.470 4.320 -0.000 0.000 0.219 245 A C 2.344 179.919 177.584 -0.015 0.000 1.158 245 A CA 1.820 53.855 52.037 -0.003 0.000 0.661 245 A CB -0.265 18.758 19.000 0.038 0.000 0.801 245 A HN 1.034 nan 8.150 nan 0.000 0.452 246 G N -0.844 107.942 108.800 -0.023 0.000 2.985 246 G HA2 0.329 4.289 3.960 -0.000 0.000 0.209 246 G HA3 0.329 4.289 3.960 -0.000 0.000 0.209 246 G C 0.325 175.188 174.900 -0.062 0.000 1.165 246 G CA 0.139 45.213 45.100 -0.042 0.000 0.776 246 G HN 0.212 nan 8.290 nan 0.000 0.541 247 V N 2.736 122.610 119.914 -0.067 0.000 2.485 247 V HA 0.195 4.315 4.120 -0.000 0.000 0.287 247 V C 1.086 177.127 176.094 -0.088 0.000 1.022 247 V CA -0.147 62.103 62.300 -0.084 0.000 1.067 247 V CB 0.282 32.046 31.823 -0.097 0.000 0.967 247 V HN 0.401 nan 8.190 nan 0.000 0.479 248 T N 3.623 118.122 114.554 -0.093 0.000 2.899 248 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 248 T C 1.389 176.006 174.700 -0.137 0.000 1.033 248 T CA -0.760 61.276 62.100 -0.106 0.000 1.084 248 T CB 0.872 69.685 68.868 -0.092 0.000 0.979 248 T HN 0.281 nan 8.240 nan 0.000 0.532 249 I N 1.635 122.081 120.570 -0.206 0.000 2.145 249 I HA -0.237 3.933 4.170 -0.000 0.000 0.244 249 I C 2.907 178.907 176.117 -0.196 0.000 1.075 249 I CA 2.002 63.114 61.300 -0.313 0.000 1.332 249 I CB -2.161 35.463 38.000 -0.626 0.000 1.033 249 I HN 0.908 nan 8.210 nan 0.000 0.410 250 A N 0.809 123.548 122.820 -0.136 0.000 1.908 250 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 250 A C 2.575 180.122 177.584 -0.061 0.000 1.181 250 A CA 2.232 54.219 52.037 -0.083 0.000 0.627 250 A CB -0.795 18.167 19.000 -0.063 0.000 0.818 250 A HN 0.447 nan 8.150 nan 0.000 0.445 251 A N -0.616 122.167 122.820 -0.062 0.000 1.898 251 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 251 A C 2.139 179.720 177.584 -0.005 0.000 1.181 251 A CA 1.618 53.632 52.037 -0.039 0.000 0.620 251 A CB -0.573 18.392 19.000 -0.057 0.000 0.819 251 A HN 0.801 nan 8.150 nan 0.000 0.442 252 L N -0.155 121.051 121.223 -0.029 0.000 2.056 252 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 252 L C 2.383 179.281 176.870 0.048 0.000 1.078 252 L CA 2.325 57.178 54.840 0.022 0.000 0.749 252 L CB -0.539 41.495 42.059 -0.042 0.000 0.901 252 L HN 0.429 nan 8.230 nan 0.000 0.433 253 R N -0.320 120.167 120.500 -0.022 0.000 2.075 253 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 253 R C 2.137 178.426 176.300 -0.018 0.000 1.126 253 R CA 1.315 57.399 56.100 -0.027 0.000 0.963 253 R CB -0.414 29.857 30.300 -0.048 0.000 0.858 253 R HN 0.531 nan 8.270 nan 0.000 0.435 254 A N 0.795 123.612 122.820 -0.005 0.000 1.865 254 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 254 A C 1.994 179.586 177.584 0.014 0.000 1.191 254 A CA 1.523 53.558 52.037 -0.003 0.000 0.623 254 A CB -0.899 18.103 19.000 0.002 0.000 0.826 254 A HN 0.550 nan 8.150 nan 0.000 0.444 255 F N 0.999 120.894 119.950 -0.091 0.000 2.186 255 F HA 0.010 4.537 4.527 -0.000 0.000 0.299 255 F C 2.378 178.109 175.800 -0.116 0.000 1.090 255 F CA 1.112 59.041 58.000 -0.117 0.000 1.307 255 F CB -0.376 38.540 39.000 -0.140 0.000 1.019 255 F HN 0.226 nan 8.300 nan 0.000 0.489 256 A N -0.146 122.554 122.820 -0.200 0.000 2.015 256 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 256 A C 2.070 179.526 177.584 -0.213 0.000 1.163 256 A CA 1.482 53.381 52.037 -0.230 0.000 0.646 256 A CB -0.933 18.041 19.000 -0.043 0.000 0.806 256 A HN 0.527 nan 8.150 nan 0.000 0.448 257 E N -0.416 119.682 120.200 -0.170 0.000 2.219 257 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 257 E C 1.847 178.350 176.600 -0.161 0.000 0.998 257 E CA 1.197 57.519 56.400 -0.129 0.000 0.818 257 E CB -0.261 29.382 29.700 -0.096 0.000 0.741 257 E HN 0.595 nan 8.360 nan 0.000 0.477 258 G N 0.486 109.136 108.800 -0.250 0.000 2.572 258 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.214 258 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.214 258 G C -0.769 173.978 174.900 -0.257 0.000 1.246 258 G CA 0.366 45.320 45.100 -0.243 0.000 0.835 258 G HN 0.242 nan 8.290 nan 0.000 0.551 259 P HA 0.055 nan 4.420 nan 0.000 0.218 259 P C 0.147 177.161 177.300 -0.477 0.000 1.152 259 P CA 0.837 63.720 63.100 -0.362 0.000 0.826 259 P CB 0.184 31.683 31.700 -0.335 0.000 0.790 260 H N -1.324 117.645 119.070 -0.167 0.000 2.423 260 H HA 0.191 4.747 4.556 -0.000 0.000 0.237 260 H C -1.778 173.495 175.328 -0.091 0.000 1.391 260 H CA -1.576 54.419 56.048 -0.090 0.000 1.453 260 H CB 1.085 30.815 29.762 -0.052 0.000 1.484 260 H HN 0.143 nan 8.280 nan 0.000 0.505 261 P HA -0.123 nan 4.420 nan 0.000 0.222 261 P C 1.481 178.779 177.300 -0.002 0.000 1.147 261 P CA 0.831 63.915 63.100 -0.027 0.000 0.790 261 P CB 0.382 32.057 31.700 -0.042 0.000 0.780 262 A N 0.348 123.180 122.820 0.019 0.000 1.858 262 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 262 A C 2.237 179.825 177.584 0.008 0.000 1.190 262 A CA 1.585 53.629 52.037 0.011 0.000 0.617 262 A CB -1.633 17.380 19.000 0.020 0.000 0.827 262 A HN 0.201 nan 8.150 nan 0.000 0.443 263 L N -0.252 120.988 121.223 0.028 0.000 2.046 263 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 263 L C 2.682 179.556 176.870 0.006 0.000 1.077 263 L CA 2.190 57.036 54.840 0.009 0.000 0.747 263 L CB -0.752 41.304 42.059 -0.006 0.000 0.896 263 L HN 0.355 nan 8.230 nan 0.000 0.432 264 A N -0.350 122.470 122.820 0.001 0.000 1.883 264 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 264 A C 2.375 179.957 177.584 -0.002 0.000 1.186 264 A CA 1.803 53.833 52.037 -0.012 0.000 0.624 264 A CB -1.736 17.245 19.000 -0.032 0.000 0.822 264 A HN 0.539 nan 8.150 nan 0.000 0.444 265 G N -0.296 108.504 108.800 -0.001 0.000 2.476 265 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 265 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 265 G C 1.527 176.442 174.900 0.025 0.000 1.164 265 G CA 1.368 46.472 45.100 0.006 0.000 0.768 265 G HN 0.533 nan 8.290 nan 0.000 0.560 266 L N 0.351 121.591 121.223 0.029 0.000 2.027 266 L HA 0.165 4.505 4.340 -0.000 0.000 0.206 266 L C 2.586 179.516 176.870 0.100 0.000 1.074 266 L CA 1.306 56.180 54.840 0.056 0.000 0.745 266 L CB -0.410 41.673 42.059 0.039 0.000 0.898 266 L HN 0.190 nan 8.230 nan 0.000 0.433 267 L N -0.389 120.884 121.223 0.083 0.000 2.549 267 L HA -0.143 4.197 4.340 -0.000 0.000 0.230 267 L C 2.629 179.561 176.870 0.102 0.000 1.162 267 L CA 0.714 55.614 54.840 0.100 0.000 0.834 267 L CB -0.532 41.518 42.059 -0.014 0.000 0.947 267 L HN 0.363 nan 8.230 nan 0.000 0.452 268 R N 0.630 121.173 120.500 0.073 0.000 2.115 268 R HA -0.083 4.257 4.340 -0.000 0.000 0.226 268 R C 1.855 178.211 176.300 0.093 0.000 1.100 268 R CA 1.010 57.145 56.100 0.060 0.000 0.980 268 R CB 0.100 30.416 30.300 0.027 0.000 0.875 268 R HN 0.282 nan 8.270 nan 0.000 0.445 269 R N -0.546 120.022 120.500 0.114 0.000 2.334 269 R HA 0.055 4.395 4.340 -0.000 0.000 0.220 269 R C -0.325 176.058 176.300 0.139 0.000 0.917 269 R CA -0.281 55.889 56.100 0.117 0.000 1.073 269 R CB 0.128 30.495 30.300 0.111 0.000 1.056 269 R HN 0.068 nan 8.270 nan 0.000 0.506 270 F N 1.794 121.759 119.950 0.025 0.000 2.471 270 F HA 0.217 4.744 4.527 -0.000 0.000 0.365 270 F C 1.042 176.852 175.800 0.017 0.000 1.095 270 F CA 0.042 58.055 58.000 0.022 0.000 1.174 270 F CB 0.297 39.306 39.000 0.016 0.000 1.105 270 F HN 0.227 nan 8.300 nan 0.000 0.535 271 A N 3.392 126.196 122.820 -0.026 0.000 5.476 271 A HA -0.281 4.039 4.320 -0.000 0.000 0.327 271 A C 0.468 178.107 177.584 0.092 0.000 1.778 271 A CA 1.427 53.490 52.037 0.042 0.000 0.721 271 A CB -2.072 17.016 19.000 0.148 0.000 1.388 271 A HN 1.517 nan 8.150 nan 0.000 0.397 272 S N -1.650 114.108 115.700 0.096 0.000 2.715 272 S HA 0.624 5.094 4.470 -0.000 0.000 0.307 272 S C 0.481 175.115 174.600 0.057 0.000 1.119 272 S CA 0.660 58.894 58.200 0.057 0.000 0.937 272 S CB 1.812 65.025 63.200 0.021 0.000 1.150 272 S HN 1.214 nan 8.310 nan 0.000 0.521 273 E N 0.647 120.860 120.200 0.022 0.000 2.085 273 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 273 E C 1.837 178.436 176.600 -0.002 0.000 0.994 273 E CA 1.938 58.341 56.400 0.006 0.000 0.801 273 E CB -0.511 29.183 29.700 -0.011 0.000 0.743 273 E HN 0.708 nan 8.360 nan 0.000 0.453 274 Q N -0.742 119.053 119.800 -0.009 0.000 2.119 274 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 274 Q C 2.239 178.238 176.000 -0.003 0.000 0.972 274 Q CA 1.407 57.200 55.803 -0.016 0.000 0.847 274 Q CB -0.070 28.650 28.738 -0.029 0.000 0.903 274 Q HN 0.186 nan 8.270 nan 0.000 0.433 275 V N 0.406 120.335 119.914 0.025 0.000 2.379 275 V HA -0.186 3.933 4.120 -0.000 0.000 0.245 275 V C 2.038 178.165 176.094 0.055 0.000 1.044 275 V CA 1.591 63.922 62.300 0.051 0.000 1.036 275 V CB -0.395 31.484 31.823 0.093 0.000 0.664 275 V HN 0.268 nan 8.190 nan 0.000 0.453 276 R N -0.197 120.337 120.500 0.057 0.000 2.200 276 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 276 R C 2.325 178.597 176.300 -0.048 0.000 1.127 276 R CA 0.962 57.057 56.100 -0.009 0.000 0.989 276 R CB -0.195 30.100 30.300 -0.009 0.000 0.869 276 R HN 0.511 nan 8.270 nan 0.000 0.459 277 Q N -0.235 119.545 119.800 -0.032 0.000 2.230 277 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 277 Q C 2.080 178.047 176.000 -0.055 0.000 0.963 277 Q CA 1.465 57.240 55.803 -0.046 0.000 0.866 277 Q CB 0.369 29.083 28.738 -0.041 0.000 0.931 277 Q HN 0.402 nan 8.270 nan 0.000 0.452 278 V N -3.623 116.264 119.914 -0.045 0.000 3.219 278 V HA 0.432 4.552 4.120 -0.000 0.000 0.240 278 V C 1.057 177.124 176.094 -0.045 0.000 1.222 278 V CA 0.225 62.493 62.300 -0.052 0.000 1.181 278 V CB -0.728 31.065 31.823 -0.049 0.000 0.941 278 V HN 0.019 nan 8.190 nan 0.000 0.471 279 A N 2.612 125.419 122.820 -0.021 0.000 2.540 279 A HA 0.491 4.811 4.320 -0.000 0.000 0.239 279 A C 0.677 178.228 177.584 -0.055 0.000 1.061 279 A CA 0.939 52.973 52.037 -0.004 0.000 0.758 279 A CB -0.446 18.603 19.000 0.081 0.000 0.991 279 A HN 0.926 nan 8.150 nan 0.000 0.502 280 T N 0.126 114.658 114.554 -0.036 0.000 2.940 280 T HA 0.514 4.864 4.350 -0.000 0.000 0.288 280 T C 1.106 175.781 174.700 -0.041 0.000 1.033 280 T CA -0.332 61.736 62.100 -0.054 0.000 1.033 280 T CB 1.078 69.924 68.868 -0.037 0.000 1.079 280 T HN 0.555 nan 8.240 nan 0.000 0.496 281 I N 0.888 121.425 120.570 -0.055 0.000 2.353 281 I HA 0.119 4.289 4.170 -0.000 0.000 0.248 281 I C 2.328 178.460 176.117 0.025 0.000 1.119 281 I CA 1.423 62.708 61.300 -0.025 0.000 1.417 281 I CB -0.659 37.315 38.000 -0.044 0.000 1.078 281 I HN 0.921 nan 8.210 nan 0.000 0.421 282 G N -0.063 108.742 108.800 0.009 0.000 2.422 282 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 282 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 282 G C 1.556 176.488 174.900 0.053 0.000 1.140 282 G CA 0.631 45.743 45.100 0.020 0.000 0.775 282 G HN 0.529 nan 8.290 nan 0.000 0.545 283 G N 0.200 109.031 108.800 0.050 0.000 2.464 283 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 283 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 283 G C 1.559 176.533 174.900 0.123 0.000 1.138 283 G CA 0.864 46.005 45.100 0.068 0.000 0.793 283 G HN 0.485 nan 8.290 nan 0.000 0.539 284 N N 0.416 119.202 118.700 0.143 0.000 2.106 284 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 284 N C 2.262 177.932 175.510 0.267 0.000 1.029 284 N CA 0.889 54.068 53.050 0.216 0.000 0.848 284 N CB -0.084 38.548 38.487 0.242 0.000 1.007 284 N HN 0.311 nan 8.380 nan 0.000 0.423 285 I N 1.275 122.004 120.570 0.265 0.000 2.202 285 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 285 I C 2.507 178.888 176.117 0.440 0.000 1.091 285 I CA 1.101 62.642 61.300 0.401 0.000 1.368 285 I CB -0.310 37.834 38.000 0.239 0.000 1.058 285 I HN 0.141 nan 8.210 nan 0.000 0.410 286 A N 0.554 123.548 122.820 0.290 0.000 2.019 286 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 286 A C 1.997 179.757 177.584 0.295 0.000 1.164 286 A CA 2.050 54.277 52.037 0.317 0.000 0.644 286 A CB -0.879 18.243 19.000 0.203 0.000 0.805 286 A HN 0.493 nan 8.150 nan 0.000 0.449 287 N N -0.180 118.683 118.700 0.272 0.000 2.149 287 N HA -0.017 4.723 4.740 -0.000 0.000 0.188 287 N C 1.151 176.823 175.510 0.271 0.000 1.019 287 N CA 1.864 55.068 53.050 0.257 0.000 0.857 287 N CB -0.355 38.267 38.487 0.226 0.000 0.997 287 N HN 0.717 nan 8.380 nan 0.000 0.426 288 G N -0.527 108.503 108.800 0.383 0.000 2.198 288 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 288 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 288 G C -0.136 174.940 174.900 0.295 0.000 1.042 288 G CA 0.640 46.023 45.100 0.472 0.000 0.791 288 G HN 0.593 nan 8.290 nan 0.000 0.502 289 S N 0.533 116.371 115.700 0.230 0.000 2.528 289 S HA 0.537 5.007 4.470 -0.000 0.000 0.277 289 S C 0.235 174.890 174.600 0.092 0.000 1.297 289 S CA -0.668 57.634 58.200 0.169 0.000 1.052 289 S CB 1.179 64.463 63.200 0.141 0.000 0.917 289 S HN 0.198 nan 8.310 nan 0.000 0.492 290 P HA -0.044 nan 4.420 nan 0.000 0.223 290 P C 0.933 178.236 177.300 0.005 0.000 1.151 290 P CA 1.056 64.182 63.100 0.044 0.000 0.787 290 P CB -0.163 31.589 31.700 0.086 0.000 0.788 291 I N -1.979 118.608 120.570 0.028 0.000 3.684 291 I HA 0.191 4.361 4.170 -0.000 0.000 0.304 291 I C 1.344 177.452 176.117 -0.015 0.000 1.278 291 I CA -0.292 61.010 61.300 0.002 0.000 1.272 291 I CB -0.934 37.071 38.000 0.008 0.000 1.029 291 I HN -0.213 nan 8.210 nan 0.000 0.458 292 G N 1.417 110.217 108.800 -0.001 0.000 2.414 292 G HA2 0.013 3.973 3.960 -0.000 0.000 0.236 292 G HA3 0.013 3.973 3.960 -0.000 0.000 0.236 292 G C 0.093 174.996 174.900 0.004 0.000 1.293 292 G CA -0.146 44.959 45.100 0.008 0.000 0.869 292 G HN 0.179 nan 8.290 nan 0.000 0.556 293 D N 1.538 121.952 120.400 0.023 0.000 2.366 293 D HA 0.019 4.659 4.640 -0.000 0.000 0.205 293 D C 2.340 178.736 176.300 0.161 0.000 1.022 293 D CA 0.801 54.842 54.000 0.069 0.000 0.868 293 D CB 0.139 40.966 40.800 0.045 0.000 0.953 293 D HN 0.483 nan 8.370 nan 0.000 0.514 294 G N 2.280 111.224 108.800 0.239 0.000 2.484 294 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 294 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 294 G C -0.706 174.260 174.900 0.109 0.000 1.219 294 G CA 0.502 45.719 45.100 0.194 0.000 0.791 294 G HN 0.233 nan 8.290 nan 0.000 0.550 295 P HA -0.097 nan 4.420 nan 0.000 0.214 295 P C -1.284 176.022 177.300 0.010 0.000 1.169 295 P CA 2.214 65.346 63.100 0.054 0.000 0.908 295 P CB -0.915 30.695 31.700 -0.151 0.000 0.791 296 P HA -0.173 nan 4.420 nan 0.000 0.216 296 P C 1.427 178.697 177.300 -0.051 0.000 1.150 296 P CA 2.111 65.180 63.100 -0.052 0.000 0.837 296 P CB -0.654 30.998 31.700 -0.079 0.000 0.786 297 A N -0.356 122.446 122.820 -0.029 0.000 1.858 297 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 297 A C 2.208 179.777 177.584 -0.024 0.000 1.190 297 A CA 1.592 53.608 52.037 -0.034 0.000 0.617 297 A CB -1.652 17.342 19.000 -0.011 0.000 0.827 297 A HN 0.105 nan 8.150 nan 0.000 0.443 298 L N -0.585 120.640 121.223 0.002 0.000 2.046 298 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 298 L C 2.492 179.375 176.870 0.021 0.000 1.077 298 L CA 1.210 56.054 54.840 0.007 0.000 0.747 298 L CB -0.706 41.376 42.059 0.038 0.000 0.896 298 L HN 0.354 nan 8.230 nan 0.000 0.432 299 I N 0.399 120.993 120.570 0.040 0.000 2.226 299 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 299 I C 2.874 179.002 176.117 0.020 0.000 1.100 299 I CA 1.191 62.522 61.300 0.051 0.000 1.374 299 I CB -0.512 37.531 38.000 0.070 0.000 1.057 299 I HN 0.202 nan 8.210 nan 0.000 0.413 300 A N 1.595 124.407 122.820 -0.013 0.000 1.902 300 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 300 A C 2.287 179.860 177.584 -0.018 0.000 1.181 300 A CA 1.977 53.992 52.037 -0.037 0.000 0.623 300 A CB -0.666 18.284 19.000 -0.085 0.000 0.818 300 A HN 0.610 nan 8.150 nan 0.000 0.443 301 M N -2.228 117.367 119.600 -0.009 0.000 2.563 301 M HA 0.437 4.917 4.480 -0.000 0.000 0.231 301 M C 0.971 177.281 176.300 0.016 0.000 1.136 301 M CA 0.667 55.974 55.300 0.011 0.000 1.026 301 M CB -0.172 32.433 32.600 0.009 0.000 1.597 301 M HN 0.652 nan 8.290 nan 0.000 0.495 302 G N 1.532 110.341 108.800 0.016 0.000 2.272 302 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.280 302 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.280 302 G C 0.094 175.009 174.900 0.024 0.000 1.067 302 G CA 0.101 45.216 45.100 0.025 0.000 0.902 302 G HN 1.020 nan 8.290 nan 0.000 0.500 303 A N -0.118 122.716 122.820 0.024 0.000 2.407 303 A HA 0.792 5.112 4.320 -0.000 0.000 0.248 303 A C 0.937 178.538 177.584 0.028 0.000 1.082 303 A CA 0.748 52.798 52.037 0.020 0.000 0.785 303 A CB 0.552 19.561 19.000 0.014 0.000 1.020 303 A HN 2.028 nan 8.150 nan 0.000 0.489 304 S N 1.000 116.708 115.700 0.013 0.000 2.537 304 S HA 0.659 5.129 4.470 -0.000 0.000 0.301 304 S C -0.638 173.948 174.600 -0.024 0.000 1.092 304 S CA -0.694 57.508 58.200 0.003 0.000 1.048 304 S CB 1.253 64.451 63.200 -0.003 0.000 1.053 304 S HN 1.035 nan 8.310 nan 0.000 0.501 305 L N 1.963 123.156 121.223 -0.050 0.000 2.309 305 L HA 0.673 5.013 4.340 -0.000 0.000 0.282 305 L C -0.617 176.170 176.870 -0.138 0.000 1.036 305 L CA 0.139 54.905 54.840 -0.123 0.000 0.806 305 L CB 1.913 43.838 42.059 -0.223 0.000 1.220 305 L HN 0.875 nan 8.230 nan 0.000 0.429 306 T N 6.079 120.540 114.554 -0.155 0.000 2.791 306 T HA 0.546 4.896 4.350 -0.000 0.000 0.288 306 T C -0.359 174.214 174.700 -0.211 0.000 0.999 306 T CA -0.290 61.720 62.100 -0.149 0.000 0.952 306 T CB 0.644 69.446 68.868 -0.109 0.000 0.938 306 T HN 0.405 nan 8.240 nan 0.000 0.444 307 L N 2.983 124.076 121.223 -0.217 0.000 2.325 307 L HA 0.731 5.071 4.340 -0.000 0.000 0.278 307 L C 0.202 176.891 176.870 -0.302 0.000 1.023 307 L CA -1.052 53.623 54.840 -0.274 0.000 0.811 307 L CB 1.585 43.521 42.059 -0.204 0.000 1.249 307 L HN 0.421 nan 8.230 nan 0.000 0.431 308 R N 2.475 122.660 120.500 -0.525 0.000 2.599 308 R HA 0.497 4.837 4.340 -0.000 0.000 0.295 308 R C -0.946 175.110 176.300 -0.407 0.000 0.963 308 R CA -0.569 55.207 56.100 -0.540 0.000 0.883 308 R CB 1.251 31.063 30.300 -0.813 0.000 1.171 308 R HN 0.465 nan 8.270 nan 0.000 0.450 309 R N 3.666 124.096 120.500 -0.116 0.000 2.721 309 R HA 0.288 4.628 4.340 -0.000 0.000 0.272 309 R C -0.245 176.102 176.300 0.078 0.000 1.721 309 R CA 0.594 56.719 56.100 0.042 0.000 1.325 309 R CB 0.744 31.055 30.300 0.018 0.000 1.271 309 R HN 0.983 nan 8.270 nan 0.000 0.556 310 G N 2.899 111.801 108.800 0.169 0.000 2.720 310 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.293 310 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.293 310 G C 0.490 175.454 174.900 0.106 0.000 1.256 310 G CA 0.448 45.631 45.100 0.138 0.000 0.974 310 G HN 0.551 nan 8.290 nan 0.000 0.551 311 Q N 0.833 120.668 119.800 0.060 0.000 2.352 311 Q HA 0.188 4.528 4.340 -0.000 0.000 0.212 311 Q C 0.355 176.363 176.000 0.013 0.000 0.888 311 Q CA -0.023 55.803 55.803 0.040 0.000 0.934 311 Q CB 0.423 29.181 28.738 0.032 0.000 1.093 311 Q HN 0.607 nan 8.270 nan 0.000 0.523 312 E N 1.604 121.807 120.200 0.006 0.000 2.398 312 E HA 0.155 4.505 4.350 -0.000 0.000 0.263 312 E C -0.422 176.153 176.600 -0.041 0.000 1.046 312 E CA 0.311 56.703 56.400 -0.014 0.000 0.908 312 E CB 0.936 30.628 29.700 -0.012 0.000 0.963 312 E HN 0.051 nan 8.360 nan 0.000 0.431 313 R N 1.779 122.251 120.500 -0.047 0.000 2.533 313 R HA 0.337 4.677 4.340 -0.000 0.000 0.288 313 R C -0.780 175.483 176.300 -0.061 0.000 1.039 313 R CA -0.518 55.539 56.100 -0.071 0.000 0.909 313 R CB 1.639 31.901 30.300 -0.064 0.000 1.195 313 R HN 0.390 nan 8.270 nan 0.000 0.438 314 R N 2.250 122.703 120.500 -0.077 0.000 2.778 314 R HA 0.565 4.905 4.340 -0.000 0.000 0.277 314 R C -0.918 175.341 176.300 -0.068 0.000 0.977 314 R CA -0.734 55.331 56.100 -0.058 0.000 0.950 314 R CB 1.641 31.913 30.300 -0.045 0.000 1.165 314 R HN 0.521 nan 8.270 nan 0.000 0.474 315 R N 3.037 123.509 120.500 -0.046 0.000 2.564 315 R HA 0.482 4.822 4.340 -0.000 0.000 0.284 315 R C -1.160 175.126 176.300 -0.024 0.000 1.031 315 R CA -0.643 55.430 56.100 -0.045 0.000 0.904 315 R CB 2.190 32.467 30.300 -0.038 0.000 1.199 315 R HN 0.671 nan 8.270 nan 0.000 0.443 316 M N 0.829 120.416 119.600 -0.021 0.000 2.643 316 M HA 0.529 5.009 4.480 -0.000 0.000 0.276 316 M C -2.914 173.398 176.300 0.019 0.000 1.200 316 M CA -2.118 53.187 55.300 0.008 0.000 0.863 316 M CB 2.585 35.202 32.600 0.029 0.000 1.711 316 M HN 0.175 nan 8.290 nan 0.000 0.492 317 P HA -0.014 nan 4.420 nan 0.000 0.261 317 P C 0.589 177.949 177.300 0.100 0.000 1.173 317 P CA 0.013 63.149 63.100 0.060 0.000 0.760 317 P CB 0.376 32.114 31.700 0.064 0.000 0.783 318 L N 4.508 125.802 121.223 0.118 0.000 2.079 318 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 318 L C 2.250 179.331 176.870 0.351 0.000 1.081 318 L CA 1.916 56.874 54.840 0.196 0.000 0.752 318 L CB -0.930 41.251 42.059 0.202 0.000 0.896 318 L HN 0.433 nan 8.230 nan 0.000 0.433 319 E N -1.312 119.065 120.200 0.295 0.000 2.153 319 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 319 E C 1.201 177.991 176.600 0.316 0.000 0.988 319 E CA 1.541 58.147 56.400 0.342 0.000 0.811 319 E CB -0.713 29.111 29.700 0.207 0.000 0.746 319 E HN 0.532 nan 8.360 nan 0.000 0.466 320 D N 0.086 120.615 120.400 0.216 0.000 2.348 320 D HA -0.048 4.592 4.640 -0.000 0.000 0.216 320 D C 1.352 177.740 176.300 0.148 0.000 0.970 320 D CA 0.322 54.415 54.000 0.155 0.000 0.889 320 D CB -0.411 40.454 40.800 0.108 0.000 0.912 320 D HN 0.206 nan 8.370 nan 0.000 0.524 321 F N 0.520 120.449 119.950 -0.035 0.000 2.367 321 F HA 0.083 4.610 4.527 -0.000 0.000 0.298 321 F C 0.199 175.812 175.800 -0.313 0.000 1.094 321 F CA 0.198 58.058 58.000 -0.234 0.000 1.409 321 F CB -0.067 38.683 39.000 -0.417 0.000 1.064 321 F HN -0.292 nan 8.300 nan 0.000 0.528 322 F N 1.607 121.526 119.950 -0.051 0.000 2.375 322 F HA 0.282 4.809 4.527 -0.000 0.000 0.362 322 F C 0.687 176.451 175.800 -0.060 0.000 1.129 322 F CA -0.531 57.397 58.000 -0.121 0.000 1.154 322 F CB 0.551 39.562 39.000 0.019 0.000 1.205 322 F HN -0.165 nan 8.300 nan 0.000 0.513 323 L N 1.240 122.476 121.223 0.023 0.000 2.129 323 L HA 0.252 4.592 4.340 -0.000 0.000 0.200 323 L C 0.471 177.385 176.870 0.074 0.000 1.159 323 L CA 0.465 55.324 54.840 0.032 0.000 0.795 323 L CB -0.146 41.896 42.059 -0.027 0.000 0.951 323 L HN 0.406 nan 8.230 nan 0.000 0.463 324 E N -1.596 118.639 120.200 0.059 0.000 2.339 324 E HA 0.224 4.574 4.350 -0.000 0.000 0.262 324 E C -1.525 175.153 176.600 0.130 0.000 0.934 324 E CA -0.991 55.467 56.400 0.098 0.000 0.802 324 E CB 1.564 31.308 29.700 0.073 0.000 1.275 324 E HN 0.007 nan 8.360 nan 0.000 0.427 325 Y N 2.010 122.336 120.300 0.043 0.000 2.881 325 Y HA -0.183 4.367 4.550 -0.000 0.000 0.335 325 Y C 0.624 176.545 175.900 0.034 0.000 1.263 325 Y CA 0.934 59.060 58.100 0.044 0.000 1.572 325 Y CB -0.030 38.450 38.460 0.034 0.000 1.237 325 Y HN 0.616 nan 8.280 nan 0.000 0.568 326 R N 1.692 121.903 120.500 -0.481 0.000 3.989 326 R HA -0.254 4.086 4.340 -0.000 0.000 0.377 326 R C -0.455 175.731 176.300 -0.190 0.000 1.158 326 R CA 1.302 57.142 56.100 -0.434 0.000 1.035 326 R CB -1.212 28.720 30.300 -0.613 0.000 1.557 326 R HN 0.642 nan 8.270 nan 0.000 0.551 327 K N 1.203 121.534 120.400 -0.115 0.000 2.426 327 K HA 0.320 4.640 4.320 -0.000 0.000 0.254 327 K C -0.848 175.656 176.600 -0.159 0.000 0.936 327 K CA -0.535 55.690 56.287 -0.103 0.000 0.801 327 K CB 1.505 33.967 32.500 -0.063 0.000 1.139 327 K HN -0.128 nan 8.250 nan 0.000 0.424 328 Q N 1.156 120.805 119.800 -0.252 0.000 2.297 328 Q HA 0.209 4.549 4.340 -0.000 0.000 0.269 328 Q C -1.209 174.534 176.000 -0.429 0.000 1.051 328 Q CA -0.610 54.850 55.803 -0.571 0.000 0.869 328 Q CB 1.551 29.814 28.738 -0.791 0.000 1.346 328 Q HN 0.456 nan 8.270 nan 0.000 0.457 329 D N 1.089 121.152 120.400 -0.562 0.000 2.558 329 D HA 0.151 4.791 4.640 -0.000 0.000 0.221 329 D C -0.998 175.352 176.300 0.083 0.000 1.143 329 D CA -0.001 53.912 54.000 -0.144 0.000 1.010 329 D CB -0.039 40.745 40.800 -0.027 0.000 1.068 329 D HN 0.261 nan 8.370 nan 0.000 0.511 330 R N 2.099 122.635 120.500 0.060 0.000 2.514 330 R HA 0.336 4.676 4.340 -0.000 0.000 0.296 330 R C -0.273 176.081 176.300 0.089 0.000 1.012 330 R CA -0.836 55.362 56.100 0.163 0.000 0.897 330 R CB 0.942 31.385 30.300 0.239 0.000 1.184 330 R HN 0.066 nan 8.270 nan 0.000 0.440 331 R N 3.225 123.774 120.500 0.082 0.000 2.726 331 R HA 0.268 4.608 4.340 -0.000 0.000 0.272 331 R C -2.173 174.150 176.300 0.038 0.000 1.097 331 R CA -1.905 54.220 56.100 0.042 0.000 1.198 331 R CB -0.115 30.201 30.300 0.026 0.000 1.114 331 R HN 0.518 nan 8.270 nan 0.000 0.550 332 P HA 0.023 nan 4.420 nan 0.000 0.266 332 P C 0.374 177.613 177.300 -0.101 0.000 1.215 332 P CA 0.510 63.579 63.100 -0.052 0.000 0.763 332 P CB 0.232 31.892 31.700 -0.067 0.000 0.806 333 G N 1.780 110.449 108.800 -0.218 0.000 2.160 333 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 333 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 333 G C -0.102 174.800 174.900 0.004 0.000 1.022 333 G CA -0.024 44.813 45.100 -0.438 0.000 0.741 333 G HN 0.667 nan 8.290 nan 0.000 0.508 334 E N -0.456 119.900 120.200 0.259 0.000 2.195 334 E HA 0.737 5.087 4.350 -0.000 0.000 0.271 334 E C -0.070 176.857 176.600 0.545 0.000 0.923 334 E CA -1.291 55.313 56.400 0.339 0.000 0.790 334 E CB 1.046 30.831 29.700 0.141 0.000 1.155 334 E HN 0.527 nan 8.360 nan 0.000 0.402 335 F N 0.817 120.904 119.950 0.228 0.000 2.603 335 F HA 0.587 5.114 4.527 -0.000 0.000 0.317 335 F C -1.185 174.609 175.800 -0.010 0.000 1.066 335 F CA -1.300 56.746 58.000 0.077 0.000 0.941 335 F CB 0.649 39.605 39.000 -0.072 0.000 1.291 335 F HN 0.061 nan 8.300 nan 0.000 0.472 336 V N 2.233 122.184 119.914 0.062 0.000 2.470 336 V HA 0.088 4.208 4.120 -0.000 0.000 0.276 336 V C 0.612 176.704 176.094 -0.003 0.000 1.040 336 V CA 0.314 62.555 62.300 -0.099 0.000 1.008 336 V CB 0.801 32.564 31.823 -0.100 0.000 0.990 336 V HN 1.060 nan 8.190 nan 0.000 0.477 337 E N 3.018 123.127 120.200 -0.151 0.000 2.228 337 E HA 0.132 4.482 4.350 -0.000 0.000 0.197 337 E C 0.560 177.139 176.600 -0.034 0.000 0.909 337 E CA 0.770 57.134 56.400 -0.061 0.000 0.911 337 E CB 0.876 30.456 29.700 -0.199 0.000 0.887 337 E HN 0.842 nan 8.360 nan 0.000 0.481 338 S N -0.607 115.043 115.700 -0.083 0.000 2.615 338 S HA 0.541 5.011 4.470 -0.000 0.000 0.269 338 S C -0.841 173.714 174.600 -0.077 0.000 1.161 338 S CA -0.638 57.524 58.200 -0.064 0.000 0.817 338 S CB 1.800 64.971 63.200 -0.050 0.000 1.131 338 S HN 0.136 nan 8.310 nan 0.000 0.467 339 V N -1.428 118.456 119.914 -0.051 0.000 2.876 339 V HA 0.882 5.001 4.120 -0.000 0.000 0.312 339 V C -0.567 175.521 176.094 -0.011 0.000 1.085 339 V CA -0.639 61.639 62.300 -0.037 0.000 0.945 339 V CB 1.330 33.139 31.823 -0.023 0.000 1.017 339 V HN 0.995 nan 8.190 nan 0.000 0.428 340 T N 5.269 119.821 114.554 -0.004 0.000 2.794 340 T HA 0.742 5.092 4.350 -0.000 0.000 0.280 340 T C -0.230 174.488 174.700 0.031 0.000 0.987 340 T CA -0.360 61.751 62.100 0.017 0.000 0.993 340 T CB 1.234 70.101 68.868 -0.001 0.000 0.939 340 T HN 0.624 nan 8.240 nan 0.000 0.449 341 L N 3.818 125.085 121.223 0.073 0.000 2.304 341 L HA 0.616 4.956 4.340 -0.000 0.000 0.268 341 L C -2.119 174.795 176.870 0.073 0.000 1.010 341 L CA -2.755 52.124 54.840 0.066 0.000 0.813 341 L CB 1.455 43.559 42.059 0.076 0.000 1.315 341 L HN 0.357 nan 8.230 nan 0.000 0.445 342 P HA 0.178 nan 4.420 nan 0.000 0.276 342 P C -0.379 177.022 177.300 0.170 0.000 1.244 342 P CA -0.554 62.598 63.100 0.087 0.000 0.801 342 P CB 1.230 32.992 31.700 0.103 0.000 1.006 343 K N -0.004 120.378 120.400 -0.031 0.000 2.026 343 K HA -0.014 4.306 4.320 -0.000 0.000 0.208 343 K C 1.173 177.796 176.600 0.038 0.000 1.048 343 K CA 1.398 57.636 56.287 -0.082 0.000 0.929 343 K CB -0.478 31.918 32.500 -0.173 0.000 0.713 343 K HN 0.419 nan 8.250 nan 0.000 0.439 344 S N -1.009 114.697 115.700 0.009 0.000 2.501 344 S HA 0.589 5.059 4.470 -0.000 0.000 0.301 344 S C -1.228 173.397 174.600 0.042 0.000 1.096 344 S CA -0.533 57.638 58.200 -0.047 0.000 1.063 344 S CB 1.640 64.817 63.200 -0.038 0.000 1.042 344 S HN 0.236 nan 8.310 nan 0.000 0.494 345 A N 5.530 128.353 122.820 0.005 0.000 3.399 345 A HA 0.508 4.828 4.320 -0.000 0.000 0.262 345 A C -2.441 175.170 177.584 0.045 0.000 1.145 345 A CA -0.747 51.346 52.037 0.093 0.000 0.916 345 A CB 0.208 19.365 19.000 0.262 0.000 1.360 345 A HN 0.617 nan 8.150 nan 0.000 0.628 346 P HA -0.041 nan 4.420 nan 0.000 0.216 346 P C 1.666 178.979 177.300 0.023 0.000 1.153 346 P CA 1.879 64.977 63.100 -0.004 0.000 0.848 346 P CB 0.230 31.921 31.700 -0.016 0.000 0.787 347 G N -0.616 108.208 108.800 0.039 0.000 2.776 347 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.209 347 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.209 347 G C 0.398 175.396 174.900 0.163 0.000 1.145 347 G CA -0.177 44.975 45.100 0.088 0.000 0.791 347 G HN 0.208 nan 8.290 nan 0.000 0.530 348 L N 0.478 121.761 121.223 0.100 0.000 2.453 348 L HA 0.634 4.974 4.340 -0.000 0.000 0.272 348 L C 0.125 177.041 176.870 0.077 0.000 1.182 348 L CA -0.221 54.666 54.840 0.079 0.000 0.858 348 L CB 0.673 42.772 42.059 0.067 0.000 1.120 348 L HN 0.075 nan 8.230 nan 0.000 0.474 349 R N 2.803 123.320 120.500 0.028 0.000 2.698 349 R HA 0.700 5.040 4.340 -0.000 0.000 0.275 349 R C -1.771 174.307 176.300 -0.370 0.000 1.001 349 R CA -0.366 55.666 56.100 -0.113 0.000 0.896 349 R CB 1.669 31.998 30.300 0.049 0.000 1.218 349 R HN 0.747 nan 8.270 nan 0.000 0.462 350 C N 3.107 122.107 119.300 -0.499 0.000 2.442 350 C HA 0.467 4.927 4.460 -0.000 0.000 0.335 350 C C -1.408 173.357 174.990 -0.375 0.000 1.134 350 C CA -1.080 57.692 59.018 -0.409 0.000 1.344 350 C CB 0.146 27.791 27.740 -0.158 0.000 1.956 350 C HN 0.756 nan 8.230 nan 0.000 0.438 351 Y N 1.638 121.950 120.300 0.019 0.000 2.356 351 Y HA 0.468 5.018 4.550 -0.000 0.000 0.334 351 Y C 0.368 176.290 175.900 0.037 0.000 0.958 351 Y CA -0.594 57.531 58.100 0.041 0.000 1.196 351 Y CB 0.987 39.478 38.460 0.052 0.000 1.137 351 Y HN 0.553 nan 8.280 nan 0.000 0.485 352 K N 4.238 124.757 120.400 0.198 0.000 2.240 352 K HA 0.468 4.788 4.320 -0.000 0.000 0.271 352 K C -1.664 175.035 176.600 0.165 0.000 1.018 352 K CA -0.794 55.579 56.287 0.143 0.000 0.874 352 K CB 0.783 33.351 32.500 0.114 0.000 1.098 352 K HN 0.598 nan 8.250 nan 0.000 0.458 353 L N 4.044 125.344 121.223 0.130 0.000 2.313 353 L HA 0.492 4.832 4.340 -0.000 0.000 0.283 353 L C -1.124 175.804 176.870 0.096 0.000 1.013 353 L CA 0.278 55.193 54.840 0.125 0.000 0.816 353 L CB 1.373 43.498 42.059 0.110 0.000 1.236 353 L HN 0.838 nan 8.230 nan 0.000 0.419 354 S N 3.147 118.883 115.700 0.060 0.000 2.705 354 S HA 0.521 4.991 4.470 -0.000 0.000 0.280 354 S C 0.492 175.053 174.600 -0.065 0.000 1.174 354 S CA -0.930 57.275 58.200 0.008 0.000 0.823 354 S CB 1.415 64.614 63.200 -0.003 0.000 1.162 354 S HN 0.519 nan 8.310 nan 0.000 0.487 355 K N -0.125 120.222 120.400 -0.088 0.000 2.148 355 K HA 0.068 4.388 4.320 -0.000 0.000 0.204 355 K C 0.825 177.302 176.600 -0.206 0.000 1.050 355 K CA 0.938 57.142 56.287 -0.138 0.000 0.942 355 K CB 0.021 32.457 32.500 -0.106 0.000 0.724 355 K HN 0.463 nan 8.250 nan 0.000 0.446 356 R N -0.704 119.685 120.500 -0.185 0.000 2.744 356 R HA 0.190 4.529 4.340 -0.000 0.000 0.279 356 R C 0.234 176.438 176.300 -0.161 0.000 0.977 356 R CA -0.427 55.547 56.100 -0.209 0.000 0.906 356 R CB 0.894 31.146 30.300 -0.079 0.000 1.197 356 R HN -0.149 nan 8.270 nan 0.000 0.463 357 F N 0.489 120.449 119.950 0.017 0.000 2.060 357 F HA -0.065 4.462 4.527 -0.000 0.000 0.295 357 F C 0.711 176.519 175.800 0.013 0.000 1.120 357 F CA 0.721 58.733 58.000 0.020 0.000 1.205 357 F CB 0.125 39.137 39.000 0.020 0.000 0.986 357 F HN 0.447 nan 8.300 nan 0.000 0.470 358 D N 0.187 120.707 120.400 0.200 0.000 2.283 358 D HA 0.164 4.804 4.640 -0.000 0.000 0.248 358 D C -0.074 176.260 176.300 0.057 0.000 1.072 358 D CA -0.164 53.899 54.000 0.104 0.000 0.929 358 D CB 0.745 41.584 40.800 0.066 0.000 1.182 358 D HN -0.020 nan 8.370 nan 0.000 0.433 359 Q N 1.075 120.899 119.800 0.041 0.000 2.439 359 Q HA -0.230 4.109 4.340 -0.000 0.000 0.361 359 Q C -1.653 174.349 176.000 0.004 0.000 1.408 359 Q CA 0.785 56.599 55.803 0.018 0.000 1.052 359 Q CB -0.887 27.861 28.738 0.017 0.000 1.233 359 Q HN 0.424 nan 8.270 nan 0.000 0.347 360 D N 0.273 120.668 120.400 -0.008 0.000 2.602 360 D HA 0.525 5.165 4.640 -0.000 0.000 0.236 360 D C -0.703 175.569 176.300 -0.047 0.000 1.209 360 D CA -0.555 53.433 54.000 -0.020 0.000 0.831 360 D CB 1.119 41.913 40.800 -0.010 0.000 1.478 360 D HN 0.312 nan 8.370 nan 0.000 0.438 361 I N 1.324 121.867 120.570 -0.045 0.000 2.428 361 I HA 0.212 4.381 4.170 -0.000 0.000 0.296 361 I C 0.556 176.655 176.117 -0.030 0.000 0.985 361 I CA -0.439 60.827 61.300 -0.058 0.000 1.260 361 I CB 1.536 39.508 38.000 -0.047 0.000 1.389 361 I HN 0.158 nan 8.210 nan 0.000 0.484 362 S N 4.164 119.847 115.700 -0.029 0.000 2.560 362 S HA 0.132 4.602 4.470 -0.000 0.000 0.284 362 S C 0.953 175.561 174.600 0.013 0.000 1.327 362 S CA -0.188 58.014 58.200 0.003 0.000 1.055 362 S CB 1.464 64.666 63.200 0.003 0.000 0.868 362 S HN 0.780 nan 8.310 nan 0.000 0.506 363 A N 3.429 126.274 122.820 0.041 0.000 1.887 363 A HA 0.378 4.698 4.320 -0.000 0.000 0.212 363 A C 0.496 178.101 177.584 0.035 0.000 1.198 363 A CA 0.530 52.599 52.037 0.054 0.000 0.628 363 A CB 0.144 19.221 19.000 0.127 0.000 0.847 363 A HN 0.593 nan 8.150 nan 0.000 0.449 364 V N -1.598 118.344 119.914 0.046 0.000 2.841 364 V HA 0.425 4.545 4.120 -0.000 0.000 0.310 364 V C -1.087 175.056 176.094 0.080 0.000 1.090 364 V CA -0.772 61.554 62.300 0.044 0.000 0.930 364 V CB 1.370 33.203 31.823 0.015 0.000 1.014 364 V HN 0.242 nan 8.190 nan 0.000 0.425 365 C N 3.943 123.300 119.300 0.094 0.000 3.002 365 C HA 0.713 5.172 4.460 -0.000 0.000 0.248 365 C C 0.788 175.744 174.990 -0.056 0.000 1.153 365 C CA -0.468 58.575 59.018 0.041 0.000 1.502 365 C CB -0.763 26.981 27.740 0.007 0.000 1.805 365 C HN 1.121 nan 8.230 nan 0.000 0.450 366 G N 2.666 111.424 108.800 -0.070 0.000 2.325 366 G HA2 0.522 4.482 3.960 -0.000 0.000 0.298 366 G HA3 0.522 4.482 3.960 -0.000 0.000 0.298 366 G C -0.497 174.185 174.900 -0.364 0.000 1.134 366 G CA -0.007 44.828 45.100 -0.442 0.000 0.876 366 G HN 0.756 nan 8.290 nan 0.000 0.452 367 C N 3.170 122.164 119.300 -0.510 0.000 2.322 367 C HA 0.606 5.066 4.460 -0.000 0.000 0.324 367 C C -0.225 174.556 174.990 -0.348 0.000 1.249 367 C CA -0.668 58.136 59.018 -0.357 0.000 1.453 367 C CB -0.082 27.512 27.740 -0.243 0.000 2.145 367 C HN 0.617 nan 8.230 nan 0.000 0.466 368 L N 3.910 124.927 121.223 -0.343 0.000 2.346 368 L HA 0.659 4.998 4.340 -0.000 0.000 0.274 368 L C -0.082 176.566 176.870 -0.371 0.000 1.007 368 L CA -0.022 54.543 54.840 -0.458 0.000 0.818 368 L CB 1.069 42.620 42.059 -0.846 0.000 1.284 368 L HN 0.558 nan 8.230 nan 0.000 0.424 369 N N 2.829 121.358 118.700 -0.285 0.000 2.621 369 N HA 0.417 5.157 4.740 -0.000 0.000 0.271 369 N C -1.918 173.544 175.510 -0.079 0.000 1.181 369 N CA -0.238 52.759 53.050 -0.089 0.000 0.805 369 N CB 0.791 39.252 38.487 -0.043 0.000 1.351 369 N HN 0.503 nan 8.380 nan 0.000 0.539 370 L N 1.920 123.132 121.223 -0.018 0.000 2.313 370 L HA 0.569 4.909 4.340 -0.000 0.000 0.283 370 L C 0.358 177.171 176.870 -0.094 0.000 1.013 370 L CA -0.744 54.043 54.840 -0.088 0.000 0.816 370 L CB 1.839 43.796 42.059 -0.170 0.000 1.236 370 L HN 0.254 nan 8.230 nan 0.000 0.419 371 T N 3.539 118.037 114.554 -0.092 0.000 2.922 371 T HA 0.664 5.014 4.350 -0.000 0.000 0.285 371 T C -0.118 174.515 174.700 -0.111 0.000 1.005 371 T CA -0.470 61.581 62.100 -0.081 0.000 1.061 371 T CB 1.563 70.401 68.868 -0.049 0.000 1.007 371 T HN 0.291 nan 8.240 nan 0.000 0.502 372 L N 2.032 123.199 121.223 -0.093 0.000 2.365 372 L HA 0.536 4.876 4.340 -0.000 0.000 0.273 372 L C 0.489 177.337 176.870 -0.037 0.000 1.000 372 L CA -1.020 53.772 54.840 -0.081 0.000 0.819 372 L CB 1.920 43.924 42.059 -0.091 0.000 1.284 372 L HN 0.460 nan 8.230 nan 0.000 0.418 373 K N 1.815 122.202 120.400 -0.022 0.000 2.684 373 K HA 0.349 4.669 4.320 -0.000 0.000 0.215 373 K C 0.160 176.762 176.600 0.004 0.000 1.073 373 K CA 0.133 56.414 56.287 -0.008 0.000 1.197 373 K CB -0.211 32.285 32.500 -0.006 0.000 0.955 373 K HN 0.755 nan 8.250 nan 0.000 0.473 374 G N 0.583 109.387 108.800 0.008 0.000 3.414 374 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.504 374 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.504 374 G C 0.213 175.137 174.900 0.039 0.000 0.936 374 G CA 0.353 45.467 45.100 0.023 0.000 0.748 374 G HN 0.634 nan 8.290 nan 0.000 0.408 375 S N 0.327 116.067 115.700 0.068 0.000 2.025 375 S HA -0.250 4.220 4.470 -0.000 0.000 0.231 375 S C 1.003 175.666 174.600 0.104 0.000 1.075 375 S CA 2.740 60.995 58.200 0.091 0.000 1.586 375 S CB -1.198 62.038 63.200 0.060 0.000 2.055 375 S HN 1.337 nan 8.310 nan 0.000 0.569 376 K N 0.723 121.162 120.400 0.065 0.000 2.203 376 K HA 0.639 4.959 4.320 -0.000 0.000 0.251 376 K C -0.370 176.242 176.600 0.020 0.000 0.944 376 K CA -0.616 55.703 56.287 0.053 0.000 0.829 376 K CB 1.350 33.869 32.500 0.032 0.000 1.125 376 K HN 0.350 nan 8.250 nan 0.000 0.430 377 I N 2.928 123.506 120.570 0.013 0.000 2.416 377 I HA -0.031 4.139 4.170 -0.000 0.000 0.288 377 I C 1.419 177.511 176.117 -0.042 0.000 1.051 377 I CA 0.054 61.328 61.300 -0.042 0.000 1.375 377 I CB 0.705 38.684 38.000 -0.036 0.000 1.407 377 I HN 0.620 nan 8.210 nan 0.000 0.516 378 E N 3.622 123.788 120.200 -0.057 0.000 2.035 378 E HA 0.087 4.437 4.350 -0.000 0.000 0.191 378 E C 0.214 176.788 176.600 -0.044 0.000 0.966 378 E CA 1.077 57.452 56.400 -0.042 0.000 0.823 378 E CB 0.305 29.982 29.700 -0.039 0.000 0.791 378 E HN 0.577 nan 8.360 nan 0.000 0.459 379 T N 0.330 114.852 114.554 -0.054 0.000 2.863 379 T HA 0.660 5.010 4.350 -0.000 0.000 0.285 379 T C -0.752 173.908 174.700 -0.067 0.000 1.009 379 T CA -0.637 61.434 62.100 -0.049 0.000 0.989 379 T CB 1.975 70.822 68.868 -0.035 0.000 1.004 379 T HN 0.123 nan 8.240 nan 0.000 0.455 380 A N 3.081 125.863 122.820 -0.063 0.000 2.409 380 A HA 0.591 4.911 4.320 -0.000 0.000 0.300 380 A C -0.090 177.465 177.584 -0.049 0.000 1.273 380 A CA -0.815 51.174 52.037 -0.080 0.000 0.774 380 A CB 0.500 19.436 19.000 -0.106 0.000 1.144 380 A HN 0.702 nan 8.150 nan 0.000 0.472 381 R N 2.634 123.101 120.500 -0.055 0.000 2.247 381 R HA 0.496 4.836 4.340 -0.000 0.000 0.329 381 R C -1.361 174.906 176.300 -0.055 0.000 1.014 381 R CA -0.122 55.959 56.100 -0.031 0.000 0.907 381 R CB 0.878 31.165 30.300 -0.023 0.000 1.146 381 R HN 0.654 nan 8.270 nan 0.000 0.499 382 I N 2.163 122.734 120.570 0.001 0.000 2.439 382 I HA 0.422 4.592 4.170 -0.000 0.000 0.283 382 I C -0.274 175.878 176.117 0.058 0.000 1.023 382 I CA -0.523 60.778 61.300 0.002 0.000 1.100 382 I CB 1.999 40.102 38.000 0.171 0.000 1.238 382 I HN 0.505 nan 8.210 nan 0.000 0.445 383 A N 6.095 128.844 122.820 -0.118 0.000 2.374 383 A HA 0.921 5.241 4.320 -0.000 0.000 0.317 383 A C -1.371 176.035 177.584 -0.298 0.000 1.094 383 A CA -0.375 51.641 52.037 -0.035 0.000 0.765 383 A CB 1.100 20.090 19.000 -0.017 0.000 1.268 383 A HN 0.507 nan 8.150 nan 0.000 0.438 384 F N 0.134 120.089 119.950 0.009 0.000 2.563 384 F HA 0.647 5.174 4.527 -0.000 0.000 0.316 384 F C 0.776 176.501 175.800 -0.126 0.000 1.076 384 F CA -0.237 57.688 58.000 -0.125 0.000 0.921 384 F CB 2.823 41.589 39.000 -0.390 0.000 1.209 384 F HN 0.764 nan 8.300 nan 0.000 0.462 385 G N -0.113 108.722 108.800 0.057 0.000 2.448 385 G HA2 0.474 4.434 3.960 -0.000 0.000 0.324 385 G HA3 0.474 4.434 3.960 -0.000 0.000 0.324 385 G C 0.473 175.367 174.900 -0.009 0.000 1.203 385 G CA -0.366 44.734 45.100 -0.000 0.000 0.954 385 G HN 1.270 nan 8.290 nan 0.000 0.480 386 G N 0.911 109.693 108.800 -0.030 0.000 2.166 386 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 386 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 386 G C 1.040 175.885 174.900 -0.092 0.000 0.986 386 G CA 0.866 45.940 45.100 -0.044 0.000 0.683 386 G HN 0.511 nan 8.290 nan 0.000 0.527 387 M N -0.555 118.955 119.600 -0.151 0.000 2.414 387 M HA 0.564 5.044 4.480 -0.000 0.000 0.251 387 M C 1.138 177.379 176.300 -0.099 0.000 1.116 387 M CA 1.181 56.300 55.300 -0.302 0.000 1.056 387 M CB 0.114 32.190 32.600 -0.872 0.000 1.388 387 M HN 0.891 nan 8.290 nan 0.000 0.487 388 A N -1.273 121.550 122.820 0.004 0.000 2.534 388 A HA 0.716 5.036 4.320 -0.000 0.000 0.300 388 A C 0.757 178.355 177.584 0.024 0.000 1.223 388 A CA -0.017 52.070 52.037 0.083 0.000 0.666 388 A CB -0.359 18.776 19.000 0.224 0.000 1.316 388 A HN 0.204 nan 8.150 nan 0.000 0.468 389 G N -1.158 107.666 108.800 0.040 0.000 3.026 389 G HA2 0.428 4.388 3.960 -0.000 0.000 0.208 389 G HA3 0.428 4.388 3.960 -0.000 0.000 0.208 389 G C 0.066 175.077 174.900 0.185 0.000 1.169 389 G CA 1.100 46.233 45.100 0.055 0.000 0.788 389 G HN 1.694 nan 8.290 nan 0.000 0.533 390 V N 0.038 120.027 119.914 0.125 0.000 2.924 390 V HA 0.501 4.621 4.120 -0.000 0.000 0.300 390 V C -2.642 173.471 176.094 0.031 0.000 1.227 390 V CA -2.109 60.251 62.300 0.099 0.000 0.954 390 V CB 3.014 34.928 31.823 0.151 0.000 1.055 390 V HN -0.022 nan 8.190 nan 0.000 0.429 391 P HA 0.269 nan 4.420 nan 0.000 0.264 391 P C -1.276 176.028 177.300 0.007 0.000 1.229 391 P CA 0.202 63.226 63.100 -0.128 0.000 0.780 391 P CB 0.078 31.544 31.700 -0.390 0.000 0.808 392 K N 2.771 123.267 120.400 0.159 0.000 2.480 392 K HA 0.587 4.907 4.320 -0.000 0.000 0.258 392 K C -0.346 176.441 176.600 0.311 0.000 0.990 392 K CA -1.246 55.174 56.287 0.221 0.000 0.857 392 K CB 2.045 34.678 32.500 0.223 0.000 1.384 392 K HN 0.089 nan 8.250 nan 0.000 0.446 393 R N 0.137 120.779 120.500 0.237 0.000 2.560 393 R HA 0.337 4.677 4.340 -0.000 0.000 0.270 393 R C -0.243 176.226 176.300 0.282 0.000 1.074 393 R CA -0.452 55.798 56.100 0.250 0.000 1.140 393 R CB 1.201 31.589 30.300 0.147 0.000 1.073 393 R HN 0.773 nan 8.270 nan 0.000 0.527 394 A N 1.747 124.780 122.820 0.356 0.000 3.078 394 A HA 0.318 4.638 4.320 -0.000 0.000 0.279 394 A C 1.279 178.960 177.584 0.161 0.000 1.594 394 A CA 0.066 52.276 52.037 0.288 0.000 1.301 394 A CB -0.251 19.100 19.000 0.585 0.000 1.162 394 A HN 0.896 nan 8.150 nan 0.000 0.585 395 A N 1.604 124.452 122.820 0.046 0.000 1.903 395 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 395 A C 2.400 180.006 177.584 0.038 0.000 1.191 395 A CA 2.411 54.467 52.037 0.031 0.000 0.638 395 A CB -0.718 18.279 19.000 -0.005 0.000 0.823 395 A HN 1.394 nan 8.150 nan 0.000 0.451 396 A N -2.087 120.751 122.820 0.031 0.000 1.929 396 A HA 0.096 4.416 4.320 -0.000 0.000 0.216 396 A C 2.018 179.679 177.584 0.127 0.000 1.176 396 A CA 1.469 53.537 52.037 0.052 0.000 0.628 396 A CB -0.579 18.435 19.000 0.023 0.000 0.816 396 A HN 0.646 nan 8.150 nan 0.000 0.444 397 F N 0.981 120.938 119.950 0.013 0.000 2.259 397 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 397 F C 2.076 177.912 175.800 0.061 0.000 1.088 397 F CA 1.592 59.623 58.000 0.053 0.000 1.358 397 F CB -0.173 38.887 39.000 0.100 0.000 1.040 397 F HN 0.353 nan 8.300 nan 0.000 0.505 398 E N 0.067 120.270 120.200 0.005 0.000 2.028 398 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 398 E C 2.388 178.931 176.600 -0.095 0.000 0.988 398 E CA 1.068 57.416 56.400 -0.088 0.000 0.799 398 E CB -0.481 29.223 29.700 0.006 0.000 0.755 398 E HN 0.396 nan 8.360 nan 0.000 0.447 399 A N 1.343 124.142 122.820 -0.036 0.000 1.972 399 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 399 A C 2.311 179.873 177.584 -0.037 0.000 1.169 399 A CA 1.616 53.636 52.037 -0.028 0.000 0.635 399 A CB -0.487 18.509 19.000 -0.006 0.000 0.810 399 A HN 0.286 nan 8.150 nan 0.000 0.446 400 A N -1.135 121.659 122.820 -0.044 0.000 2.014 400 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 400 A C 2.002 179.543 177.584 -0.072 0.000 1.163 400 A CA 1.348 53.363 52.037 -0.036 0.000 0.652 400 A CB -0.363 18.637 19.000 0.001 0.000 0.808 400 A HN 0.432 nan 8.150 nan 0.000 0.449 401 L N -0.001 121.134 121.223 -0.148 0.000 2.179 401 L HA 0.174 4.513 4.340 -0.000 0.000 0.208 401 L C 0.693 177.517 176.870 -0.076 0.000 1.096 401 L CA 0.611 55.356 54.840 -0.158 0.000 0.779 401 L CB -0.323 41.556 42.059 -0.299 0.000 0.922 401 L HN 0.334 nan 8.230 nan 0.000 0.443 402 I N -0.114 120.416 120.570 -0.067 0.000 2.775 402 I HA 0.134 4.304 4.170 -0.000 0.000 0.290 402 I C 1.613 177.718 176.117 -0.020 0.000 1.203 402 I CA 0.865 62.140 61.300 -0.040 0.000 1.433 402 I CB -0.172 37.807 38.000 -0.035 0.000 1.354 402 I HN 0.402 nan 8.210 nan 0.000 0.579 403 G N 3.520 112.314 108.800 -0.010 0.000 2.284 403 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.247 403 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.247 403 G C 0.422 175.331 174.900 0.015 0.000 1.012 403 G CA -0.393 44.708 45.100 0.002 0.000 0.618 403 G HN 0.565 nan 8.290 nan 0.000 0.521 404 Q N 1.089 120.900 119.800 0.019 0.000 2.471 404 Q HA 0.333 4.673 4.340 -0.000 0.000 0.223 404 Q C -0.185 175.855 176.000 0.067 0.000 1.045 404 Q CA -0.192 55.633 55.803 0.037 0.000 0.956 404 Q CB 0.382 29.140 28.738 0.034 0.000 1.249 404 Q HN 0.397 nan 8.270 nan 0.000 0.549 405 D N 0.772 121.217 120.400 0.075 0.000 2.382 405 D HA 0.037 4.677 4.640 -0.000 0.000 0.245 405 D C -0.470 175.933 176.300 0.173 0.000 1.120 405 D CA 0.003 54.064 54.000 0.103 0.000 0.890 405 D CB 0.307 41.146 40.800 0.064 0.000 1.201 405 D HN 0.278 nan 8.370 nan 0.000 0.433 406 F N 3.759 123.724 119.950 0.025 0.000 2.640 406 F HA 0.214 4.741 4.527 -0.000 0.000 0.354 406 F C 0.356 176.180 175.800 0.040 0.000 1.213 406 F CA -0.250 57.774 58.000 0.040 0.000 1.314 406 F CB -0.424 38.604 39.000 0.046 0.000 1.679 406 F HN 0.056 nan 8.300 nan 0.000 0.622 407 R N 1.032 121.450 120.500 -0.136 0.000 2.939 407 R HA 0.215 4.555 4.340 -0.000 0.000 0.254 407 R C 1.163 177.364 176.300 -0.164 0.000 1.123 407 R CA -0.650 55.334 56.100 -0.194 0.000 1.020 407 R CB 1.456 31.711 30.300 -0.074 0.000 1.206 407 R HN 0.323 nan 8.270 nan 0.000 0.491 408 E N 1.091 121.212 120.200 -0.131 0.000 2.049 408 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 408 E C 0.884 177.476 176.600 -0.014 0.000 1.007 408 E CA 2.720 59.079 56.400 -0.069 0.000 0.809 408 E CB -0.102 29.565 29.700 -0.055 0.000 0.749 408 E HN 0.685 nan 8.360 nan 0.000 0.450 409 D N -0.897 119.497 120.400 -0.010 0.000 2.117 409 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 409 D C 1.975 178.295 176.300 0.033 0.000 0.982 409 D CA 2.169 56.177 54.000 0.012 0.000 0.828 409 D CB -0.964 39.840 40.800 0.007 0.000 0.967 409 D HN 0.391 nan 8.370 nan 0.000 0.464 410 T N -0.578 113.996 114.554 0.034 0.000 2.737 410 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 410 T C 2.054 176.805 174.700 0.084 0.000 1.038 410 T CA 0.786 62.918 62.100 0.053 0.000 1.144 410 T CB -0.475 68.424 68.868 0.053 0.000 0.866 410 T HN 0.082 nan 8.240 nan 0.000 0.434 411 I N 2.757 123.388 120.570 0.103 0.000 2.179 411 I HA -0.096 4.074 4.170 -0.000 0.000 0.242 411 I C 3.210 179.450 176.117 0.204 0.000 1.088 411 I CA 1.407 62.816 61.300 0.182 0.000 1.357 411 I CB -1.843 36.281 38.000 0.208 0.000 1.051 411 I HN 0.368 nan 8.210 nan 0.000 0.409 412 A N 1.062 123.956 122.820 0.125 0.000 1.917 412 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 412 A C 2.517 180.158 177.584 0.095 0.000 1.182 412 A CA 2.207 54.302 52.037 0.095 0.000 0.633 412 A CB -0.739 18.294 19.000 0.054 0.000 0.819 412 A HN 0.452 nan 8.150 nan 0.000 0.448 413 A N -0.827 122.048 122.820 0.092 0.000 2.066 413 A HA 0.362 4.682 4.320 -0.000 0.000 0.218 413 A C 2.235 179.889 177.584 0.115 0.000 1.157 413 A CA 1.485 53.571 52.037 0.082 0.000 0.670 413 A CB -0.576 18.460 19.000 0.061 0.000 0.804 413 A HN 1.018 nan 8.150 nan 0.000 0.453 414 A N -0.488 122.441 122.820 0.181 0.000 2.169 414 A HA 0.282 4.602 4.320 -0.000 0.000 0.212 414 A C 1.880 179.699 177.584 0.391 0.000 1.153 414 A CA 0.423 52.624 52.037 0.275 0.000 0.756 414 A CB -0.445 18.706 19.000 0.251 0.000 0.813 414 A HN 0.441 nan 8.150 nan 0.000 0.471 415 L N -0.272 121.101 121.223 0.250 0.000 2.079 415 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 415 L C -0.582 176.271 176.870 -0.028 0.000 1.081 415 L CA 1.384 56.252 54.840 0.047 0.000 0.752 415 L CB -1.463 40.604 42.059 0.013 0.000 0.896 415 L HN 0.221 nan 8.230 nan 0.000 0.433 416 P HA -0.155 nan 4.420 nan 0.000 0.221 416 P C 1.743 179.048 177.300 0.008 0.000 1.145 416 P CA 1.189 64.292 63.100 0.005 0.000 0.795 416 P CB 0.046 31.759 31.700 0.022 0.000 0.775 417 L N -1.788 119.473 121.223 0.064 0.000 2.275 417 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 417 L C 2.244 179.129 176.870 0.025 0.000 1.119 417 L CA 0.880 55.770 54.840 0.084 0.000 0.790 417 L CB -0.761 41.416 42.059 0.196 0.000 0.919 417 L HN -0.035 nan 8.230 nan 0.000 0.443 418 L N -0.641 120.534 121.223 -0.080 0.000 2.201 418 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 418 L C 2.696 179.536 176.870 -0.051 0.000 1.105 418 L CA 0.851 55.611 54.840 -0.134 0.000 0.775 418 L CB -0.478 41.367 42.059 -0.357 0.000 0.913 418 L HN 0.267 nan 8.230 nan 0.000 0.440 419 A N -1.050 121.735 122.820 -0.058 0.000 2.014 419 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 419 A C 2.186 179.742 177.584 -0.047 0.000 1.163 419 A CA 1.009 53.023 52.037 -0.037 0.000 0.652 419 A CB -0.242 18.737 19.000 -0.036 0.000 0.808 419 A HN 0.428 nan 8.150 nan 0.000 0.449 420 Q N -0.636 119.128 119.800 -0.060 0.000 2.230 420 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 420 Q C 0.803 176.709 176.000 -0.157 0.000 0.963 420 Q CA 1.191 56.948 55.803 -0.076 0.000 0.866 420 Q CB 0.005 28.715 28.738 -0.046 0.000 0.931 420 Q HN 0.586 nan 8.270 nan 0.000 0.452 421 D N -0.971 119.267 120.400 -0.272 0.000 2.271 421 D HA 0.047 4.687 4.640 -0.000 0.000 0.206 421 D C -0.301 175.444 176.300 -0.925 0.000 0.967 421 D CA 0.721 54.340 54.000 -0.635 0.000 0.867 421 D CB 0.410 40.700 40.800 -0.849 0.000 0.960 421 D HN 0.017 nan 8.370 nan 0.000 0.509 422 F N -0.649 119.244 119.950 -0.095 0.000 2.588 422 F HA 0.342 4.869 4.527 -0.000 0.000 0.310 422 F C -0.052 175.692 175.800 -0.094 0.000 1.082 422 F CA -0.907 57.029 58.000 -0.106 0.000 0.929 422 F CB 2.192 41.085 39.000 -0.178 0.000 1.254 422 F HN -0.510 nan 8.300 nan 0.000 0.455 423 T N 2.690 117.312 114.554 0.114 0.000 3.150 423 T HA 0.370 4.720 4.350 -0.000 0.000 0.383 423 T C -2.643 172.075 174.700 0.031 0.000 1.313 423 T CA -1.277 60.850 62.100 0.044 0.000 1.235 423 T CB 0.397 69.274 68.868 0.014 0.000 1.088 423 T HN 0.121 nan 8.240 nan 0.000 0.556 424 P HA 0.429 nan 4.420 nan 0.000 0.274 424 P C -0.339 176.943 177.300 -0.031 0.000 1.231 424 P CA -0.751 62.331 63.100 -0.031 0.000 0.790 424 P CB 0.670 32.323 31.700 -0.078 0.000 0.951 425 L N 0.495 121.694 121.223 -0.041 0.000 2.569 425 L HA 0.450 4.790 4.340 -0.000 0.000 0.247 425 L C 0.659 177.512 176.870 -0.028 0.000 1.135 425 L CA 0.265 55.081 54.840 -0.039 0.000 0.812 425 L CB 0.285 42.310 42.059 -0.058 0.000 1.431 425 L HN 0.315 nan 8.230 nan 0.000 0.499 426 S N -0.765 114.920 115.700 -0.024 0.000 2.513 426 S HA 0.708 5.178 4.470 -0.000 0.000 0.299 426 S C -1.238 173.350 174.600 -0.021 0.000 1.087 426 S CA -0.777 57.413 58.200 -0.016 0.000 1.012 426 S CB 1.753 64.946 63.200 -0.012 0.000 1.044 426 S HN 0.653 nan 8.310 nan 0.000 0.485 427 D N 0.755 121.143 120.400 -0.019 0.000 2.867 427 D HA 0.238 4.878 4.640 -0.000 0.000 0.308 427 D C 1.196 177.482 176.300 -0.022 0.000 1.202 427 D CA -0.806 53.182 54.000 -0.020 0.000 1.035 427 D CB -0.303 40.484 40.800 -0.021 0.000 1.427 427 D HN 0.385 nan 8.370 nan 0.000 0.570 428 M N -0.727 118.860 119.600 -0.021 0.000 2.460 428 M HA 0.104 4.584 4.480 -0.000 0.000 0.263 428 M C 1.169 177.447 176.300 -0.036 0.000 1.071 428 M CA 1.311 56.595 55.300 -0.026 0.000 1.096 428 M CB -1.012 31.577 32.600 -0.019 0.000 1.408 428 M HN 0.366 nan 8.290 nan 0.000 0.463 429 R N 0.990 121.472 120.500 -0.031 0.000 2.100 429 R HA 0.443 4.783 4.340 -0.000 0.000 0.220 429 R C 0.568 176.835 176.300 -0.054 0.000 1.091 429 R CA 1.029 57.107 56.100 -0.037 0.000 0.986 429 R CB 0.192 30.481 30.300 -0.017 0.000 0.888 429 R HN 0.545 nan 8.270 nan 0.000 0.444 430 A N -0.259 122.543 122.820 -0.030 0.000 2.608 430 A HA 0.419 4.739 4.320 -0.000 0.000 0.292 430 A C -0.814 176.777 177.584 0.011 0.000 1.066 430 A CA -0.803 51.221 52.037 -0.021 0.000 0.676 430 A CB 1.100 20.174 19.000 0.123 0.000 1.277 430 A HN 0.158 nan 8.150 nan 0.000 0.413 431 S N 0.602 116.316 115.700 0.023 0.000 2.614 431 S HA 0.563 5.033 4.470 -0.000 0.000 0.265 431 S C 1.329 175.964 174.600 0.059 0.000 1.303 431 S CA 0.139 58.358 58.200 0.032 0.000 1.000 431 S CB 1.343 64.560 63.200 0.027 0.000 0.935 431 S HN 2.117 nan 8.310 nan 0.000 0.551 432 A N 1.891 124.726 122.820 0.023 0.000 1.902 432 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 432 A C 2.405 179.994 177.584 0.008 0.000 1.181 432 A CA 1.780 53.820 52.037 0.005 0.000 0.623 432 A CB -1.745 17.250 19.000 -0.008 0.000 0.818 432 A HN 1.357 nan 8.150 nan 0.000 0.443 433 A N -0.994 121.841 122.820 0.025 0.000 1.859 433 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 433 A C 2.169 179.777 177.584 0.041 0.000 1.198 433 A CA 1.950 54.002 52.037 0.025 0.000 0.629 433 A CB -1.146 17.875 19.000 0.036 0.000 0.830 433 A HN 0.777 nan 8.150 nan 0.000 0.446 434 Y N 0.203 120.478 120.300 -0.042 0.000 2.128 434 Y HA -0.253 4.296 4.550 -0.000 0.000 0.284 434 Y C 2.619 178.487 175.900 -0.055 0.000 1.154 434 Y CA 2.381 60.455 58.100 -0.043 0.000 1.149 434 Y CB -0.389 38.048 38.460 -0.039 0.000 0.976 434 Y HN 0.304 nan 8.280 nan 0.000 0.505 435 R N -0.712 119.789 120.500 0.001 0.000 2.082 435 R HA -0.254 4.086 4.340 -0.000 0.000 0.234 435 R C 2.339 178.516 176.300 -0.204 0.000 1.136 435 R CA 2.108 58.146 56.100 -0.103 0.000 0.935 435 R CB -0.478 29.798 30.300 -0.041 0.000 0.842 435 R HN 0.429 nan 8.270 nan 0.000 0.430 436 M N 1.137 120.640 119.600 -0.161 0.000 2.065 436 M HA -0.219 4.261 4.480 -0.000 0.000 0.259 436 M C 1.817 177.994 176.300 -0.204 0.000 1.069 436 M CA 1.809 56.999 55.300 -0.183 0.000 1.110 436 M CB -0.756 31.779 32.600 -0.110 0.000 1.328 436 M HN 0.169 nan 8.290 nan 0.000 0.405 437 N N -0.214 118.379 118.700 -0.178 0.000 2.149 437 N HA -0.162 4.577 4.740 -0.000 0.000 0.188 437 N C 1.578 176.948 175.510 -0.233 0.000 1.019 437 N CA 1.711 54.654 53.050 -0.177 0.000 0.857 437 N CB -0.092 38.311 38.487 -0.140 0.000 0.997 437 N HN 0.507 nan 8.380 nan 0.000 0.426 438 A N 0.844 123.457 122.820 -0.345 0.000 1.933 438 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 438 A C 2.407 179.892 177.584 -0.165 0.000 1.175 438 A CA 1.704 53.534 52.037 -0.344 0.000 0.628 438 A CB -0.781 17.918 19.000 -0.503 0.000 0.814 438 A HN 0.470 nan 8.150 nan 0.000 0.444 439 A N -0.583 122.126 122.820 -0.185 0.000 1.877 439 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 439 A C 2.113 179.661 177.584 -0.060 0.000 1.186 439 A CA 1.778 53.738 52.037 -0.128 0.000 0.620 439 A CB -0.613 18.012 19.000 -0.625 0.000 0.822 439 A HN 0.627 nan 8.150 nan 0.000 0.443 440 Q N -0.716 118.990 119.800 -0.157 0.000 2.167 440 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 440 Q C 2.342 178.315 176.000 -0.045 0.000 0.970 440 Q CA 1.166 56.892 55.803 -0.127 0.000 0.855 440 Q CB -0.381 28.274 28.738 -0.139 0.000 0.911 440 Q HN 0.696 nan 8.270 nan 0.000 0.438 441 A N 0.709 123.492 122.820 -0.063 0.000 1.902 441 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 441 A C 2.019 179.582 177.584 -0.035 0.000 1.181 441 A CA 1.442 53.446 52.037 -0.056 0.000 0.623 441 A CB -0.473 18.469 19.000 -0.097 0.000 0.818 441 A HN 0.313 nan 8.150 nan 0.000 0.443 442 M N -0.556 119.046 119.600 0.002 0.000 2.213 442 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 442 M C 2.439 178.859 176.300 0.200 0.000 1.062 442 M CA 1.206 56.530 55.300 0.040 0.000 1.105 442 M CB -0.354 32.387 32.600 0.236 0.000 1.385 442 M HN 0.502 nan 8.290 nan 0.000 0.417 443 A N 0.720 123.672 122.820 0.219 0.000 1.855 443 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 443 A C 2.070 179.828 177.584 0.290 0.000 1.191 443 A CA 1.354 53.586 52.037 0.325 0.000 0.613 443 A CB -0.898 18.300 19.000 0.330 0.000 0.829 443 A HN 0.434 nan 8.150 nan 0.000 0.442 444 L N -0.663 120.658 121.223 0.163 0.000 2.012 444 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 444 L C 2.784 179.702 176.870 0.081 0.000 1.073 444 L CA 1.925 56.827 54.840 0.103 0.000 0.748 444 L CB -0.565 41.520 42.059 0.044 0.000 0.891 444 L HN 0.525 nan 8.230 nan 0.000 0.431 445 R N -0.403 120.119 120.500 0.036 0.000 2.091 445 R HA -0.270 4.070 4.340 -0.000 0.000 0.238 445 R C 2.472 178.828 176.300 0.092 0.000 1.136 445 R CA 1.930 58.008 56.100 -0.036 0.000 0.959 445 R CB -0.604 29.537 30.300 -0.265 0.000 0.856 445 R HN 0.343 nan 8.270 nan 0.000 0.437 446 Y N 1.023 121.407 120.300 0.141 0.000 2.224 446 Y HA -0.185 4.365 4.550 -0.000 0.000 0.289 446 Y C 1.985 178.042 175.900 0.262 0.000 1.146 446 Y CA 1.765 60.053 58.100 0.313 0.000 1.182 446 Y CB -0.060 38.639 38.460 0.400 0.000 0.983 446 Y HN -0.092 nan 8.280 nan 0.000 0.524 447 V N 0.804 120.859 119.914 0.235 0.000 2.261 447 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 447 V C 2.359 178.368 176.094 -0.140 0.000 1.047 447 V CA 2.329 64.570 62.300 -0.099 0.000 1.015 447 V CB -0.758 30.949 31.823 -0.194 0.000 0.642 447 V HN 0.316 nan 8.190 nan 0.000 0.446 448 R N -0.158 120.307 120.500 -0.058 0.000 2.096 448 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 448 R C 2.429 178.703 176.300 -0.043 0.000 1.127 448 R CA 1.754 57.821 56.100 -0.056 0.000 0.968 448 R CB -0.318 29.962 30.300 -0.033 0.000 0.861 448 R HN 0.639 nan 8.270 nan 0.000 0.440 449 E N 0.882 121.068 120.200 -0.023 0.000 2.072 449 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 449 E C 1.925 178.499 176.600 -0.043 0.000 0.982 449 E CA 0.702 57.096 56.400 -0.011 0.000 0.803 449 E CB 0.120 29.853 29.700 0.055 0.000 0.755 449 E HN 0.278 nan 8.360 nan 0.000 0.453 450 L N 0.770 121.939 121.223 -0.091 0.000 2.291 450 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 450 L C 1.973 178.842 176.870 -0.002 0.000 1.120 450 L CA 0.975 55.781 54.840 -0.056 0.000 0.799 450 L CB -0.102 41.939 42.059 -0.031 0.000 0.925 450 L HN 0.157 nan 8.230 nan 0.000 0.446 451 S N -1.293 114.383 115.700 -0.040 0.000 2.614 451 S HA 0.289 4.759 4.470 -0.000 0.000 0.230 451 S C 1.292 175.874 174.600 -0.029 0.000 0.952 451 S CA 0.209 58.386 58.200 -0.039 0.000 0.949 451 S CB 0.613 63.760 63.200 -0.088 0.000 0.786 451 S HN 0.476 nan 8.310 nan 0.000 0.478 452 G N 0.995 109.781 108.800 -0.023 0.000 2.137 452 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.237 452 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.237 452 G C -0.241 174.649 174.900 -0.016 0.000 1.002 452 G CA 0.163 45.253 45.100 -0.016 0.000 0.702 452 G HN 0.644 nan 8.290 nan 0.000 0.515 453 E N 0.180 120.368 120.200 -0.020 0.000 2.319 453 E HA 0.656 5.006 4.350 -0.000 0.000 0.268 453 E C 0.757 177.350 176.600 -0.011 0.000 1.050 453 E CA -0.203 56.186 56.400 -0.018 0.000 0.878 453 E CB 0.897 30.583 29.700 -0.024 0.000 1.066 453 E HN 0.678 nan 8.360 nan 0.000 0.406 454 A N 2.950 125.764 122.820 -0.009 0.000 2.404 454 A HA 0.297 4.617 4.320 -0.000 0.000 0.273 454 A C 0.231 177.811 177.584 -0.007 0.000 1.144 454 A CA -0.278 51.755 52.037 -0.006 0.000 0.806 454 A CB 0.448 19.445 19.000 -0.004 0.000 1.080 454 A HN 0.466 nan 8.150 nan 0.000 0.509 455 V N 1.996 121.907 119.914 -0.005 0.000 3.193 455 V HA 0.227 4.347 4.120 -0.000 0.000 0.237 455 V C 1.203 177.293 176.094 -0.008 0.000 1.447 455 V CA 0.717 63.010 62.300 -0.013 0.000 1.227 455 V CB -0.651 31.157 31.823 -0.025 0.000 1.040 455 V HN 0.978 nan 8.190 nan 0.000 0.458 456 A N 0.434 123.256 122.820 0.003 0.000 2.362 456 A HA 0.504 4.824 4.320 -0.000 0.000 0.276 456 A C 1.095 178.673 177.584 -0.011 0.000 1.153 456 A CA 0.093 52.133 52.037 0.005 0.000 0.813 456 A CB 1.075 20.084 19.000 0.015 0.000 1.081 456 A HN 0.059 nan 8.150 nan 0.000 0.507 457 V N 3.291 123.201 119.914 -0.007 0.000 2.453 457 V HA -0.174 3.945 4.120 -0.000 0.000 0.247 457 V C 2.190 178.224 176.094 -0.101 0.000 1.048 457 V CA 1.843 64.137 62.300 -0.009 0.000 1.049 457 V CB -0.602 31.279 31.823 0.096 0.000 0.672 457 V HN 0.861 nan 8.190 nan 0.000 0.457 458 L N -0.334 120.757 121.223 -0.220 0.000 2.551 458 L HA -0.072 4.268 4.340 -0.000 0.000 0.228 458 L C 2.040 178.821 176.870 -0.148 0.000 1.153 458 L CA 1.051 55.714 54.840 -0.296 0.000 0.851 458 L CB -0.323 41.482 42.059 -0.423 0.000 0.959 458 L HN 0.416 nan 8.230 nan 0.000 0.451 459 E N -0.942 119.205 120.200 -0.088 0.000 2.474 459 E HA 0.070 4.419 4.350 -0.000 0.000 0.195 459 E C 0.153 176.731 176.600 -0.035 0.000 1.039 459 E CA -0.198 56.171 56.400 -0.052 0.000 0.881 459 E CB 0.712 30.393 29.700 -0.031 0.000 0.970 459 E HN 0.138 nan 8.360 nan 0.000 0.486 460 V N 3.054 122.947 119.914 -0.035 0.000 2.508 460 V HA 0.018 4.138 4.120 -0.000 0.000 0.281 460 V C 0.431 176.517 176.094 -0.013 0.000 1.041 460 V CA 0.053 62.343 62.300 -0.017 0.000 1.016 460 V CB 0.728 32.548 31.823 -0.006 0.000 0.984 460 V HN 0.234 nan 8.190 nan 0.000 0.478 461 M N 6.795 126.391 119.600 -0.007 0.000 2.217 461 M HA 0.319 4.799 4.480 -0.000 0.000 0.354 461 M C -1.173 175.129 176.300 0.004 0.000 1.225 461 M CA -1.942 53.356 55.300 -0.003 0.000 1.137 461 M CB -0.224 32.375 32.600 -0.002 0.000 1.576 461 M HN 0.511 nan 8.290 nan 0.000 0.461 462 P HA 0.000 nan 4.420 nan 0.000 0.216 462 P CA 0.000 63.108 63.100 0.013 0.000 0.800 462 P CB 0.000 31.710 31.700 0.016 0.000 0.726