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 3qki_1_C DATA FIRST_RESID 4 DATA SEQUENCE EITNLKSYKE LVTLSAEEKT KDLKDYLNDK NRSESLIKKF KNFYMDLSRQ DATA SEQUENCE RYSEKTLNKL VEYAEEVELK KKVEKTFMGE KVNMTENRSV LHTALRIPIE DATA SEQUENCE KINTHKIIID NKNVLEDVHG VLKKIEKYSD DIRNGVIKTC KNTKFKNVIC DATA SEQUENCE IGIGGSYLGT EFVYEAMKYY YYNMELNKNE KDQVNNFNNN YDQDNVFNVR DATA SEQUENCE FLANVDPNDV NRAIQNLDQY DTLVIIISKT FTTAETMLNA RSIKKWLSLK DATA SEQUENCE IKDDENLSKH MVAVSTNLKL TDEFGISRDN VFEFWDWVGG RFSVTSSVGI DATA SEQUENCE LPLSIAFGYK NMRNFLNGCH DMDEHFLHAD LKENIPVLLA LTSFYNSHFF DATA SEQUENCE DYKNVAILPY FQNLLKFSAH IQQLSMESNG KSVDRNNQPI HYNTCQVYFG DATA SEQUENCE EPGTNGQHSF YQLIHQGQVI PVELIGFKHS HFPIKFDKEV VSNHDELMTN DATA SEQUENCE FFAQADALAI GKTYEQVKEE NEKNKMSPEL LTHKVFNGNR PSTLLLFDEL DATA SEQUENCE NFYTCGLLLS LYESRIVAEG FLLNINSFDQ WGVELGKVLA KEVRNYFNDT DATA SEQUENCE RNQKKSXNTY NFNESTKILL NYYLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.613 176.600 0.022 0.000 1.382 4 E CA 0.000 56.451 56.400 0.085 0.000 0.976 4 E CB 0.000 29.756 29.700 0.094 0.000 0.812 5 I N 1.334 121.900 120.570 -0.007 0.000 2.185 5 I HA -0.233 3.937 4.170 -0.000 0.000 0.246 5 I C 1.793 177.715 176.117 -0.325 0.000 1.088 5 I CA 2.217 63.469 61.300 -0.079 0.000 1.347 5 I CB -0.782 37.196 38.000 -0.036 0.000 1.041 5 I HN 0.610 nan 8.210 nan 0.000 0.415 6 T N -1.386 112.837 114.554 -0.552 0.000 3.051 6 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 6 T C 1.194 175.727 174.700 -0.279 0.000 1.127 6 T CA 1.624 63.233 62.100 -0.819 0.000 1.107 6 T CB -1.060 67.529 68.868 -0.465 0.000 0.898 6 T HN 0.621 nan 8.240 nan 0.000 0.517 7 N N 0.190 118.831 118.700 -0.099 0.000 2.280 7 N HA 0.316 5.056 4.740 -0.000 0.000 0.192 7 N C -0.211 175.341 175.510 0.069 0.000 1.109 7 N CA -0.273 52.786 53.050 0.016 0.000 0.855 7 N CB 0.032 38.532 38.487 0.023 0.000 0.974 7 N HN 0.354 nan 8.380 nan 0.000 0.482 8 L N 1.392 122.679 121.223 0.106 0.000 2.456 8 L HA 0.056 4.396 4.340 -0.000 0.000 0.272 8 L C 1.830 178.825 176.870 0.208 0.000 1.189 8 L CA -0.038 54.898 54.840 0.161 0.000 0.846 8 L CB 0.702 42.887 42.059 0.210 0.000 1.111 8 L HN 0.107 nan 8.230 nan 0.000 0.475 9 K N 1.321 121.808 120.400 0.145 0.000 2.009 9 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 9 K C 2.002 178.698 176.600 0.160 0.000 1.049 9 K CA 2.132 58.494 56.287 0.126 0.000 0.929 9 K CB -0.037 32.509 32.500 0.077 0.000 0.714 9 K HN 0.845 nan 8.250 nan 0.000 0.440 10 S N -0.492 115.324 115.700 0.194 0.000 2.419 10 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 10 S C 1.979 176.739 174.600 0.267 0.000 1.016 10 S CA 0.868 59.195 58.200 0.212 0.000 0.974 10 S CB -0.636 62.705 63.200 0.234 0.000 0.786 10 S HN 0.481 nan 8.310 nan 0.000 0.492 11 Y N 2.571 123.038 120.300 0.278 0.000 2.133 11 Y HA 0.033 4.583 4.550 -0.000 0.000 0.287 11 Y C 2.279 178.262 175.900 0.139 0.000 1.134 11 Y CA 1.627 59.875 58.100 0.245 0.000 1.133 11 Y CB -0.308 38.340 38.460 0.313 0.000 0.987 11 Y HN 0.135 nan 8.280 nan 0.000 0.502 12 K N 0.086 120.708 120.400 0.370 0.000 2.097 12 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 12 K C 1.917 178.553 176.600 0.060 0.000 1.049 12 K CA 1.882 58.303 56.287 0.224 0.000 0.933 12 K CB -0.168 32.442 32.500 0.184 0.000 0.717 12 K HN 0.483 nan 8.250 nan 0.000 0.442 13 E N 0.807 121.026 120.200 0.032 0.000 2.072 13 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 13 E C 2.007 178.522 176.600 -0.141 0.000 0.985 13 E CA 0.824 57.206 56.400 -0.030 0.000 0.801 13 E CB -0.066 29.632 29.700 -0.003 0.000 0.750 13 E HN 0.217 nan 8.360 nan 0.000 0.452 14 L N 0.573 121.628 121.223 -0.280 0.000 2.131 14 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 14 L C 2.403 178.795 176.870 -0.796 0.000 1.092 14 L CA 0.571 55.033 54.840 -0.631 0.000 0.759 14 L CB -0.288 41.152 42.059 -1.032 0.000 0.903 14 L HN 0.052 nan 8.230 nan 0.000 0.435 15 V N -0.164 119.442 119.914 -0.514 0.000 2.287 15 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 15 V C 2.740 178.734 176.094 -0.166 0.000 1.053 15 V CA 2.495 64.671 62.300 -0.207 0.000 1.027 15 V CB -1.079 30.765 31.823 0.035 0.000 0.646 15 V HN 0.716 nan 8.190 nan 0.000 0.447 16 T N -1.842 112.637 114.554 -0.124 0.000 2.896 16 T HA -0.057 4.293 4.350 -0.000 0.000 0.263 16 T C 1.894 176.544 174.700 -0.083 0.000 1.050 16 T CA 1.210 63.261 62.100 -0.080 0.000 1.140 16 T CB -0.417 68.427 68.868 -0.041 0.000 0.877 16 T HN 0.344 nan 8.240 nan 0.000 0.457 17 L N 2.109 123.272 121.223 -0.100 0.000 2.046 17 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 17 L C 3.289 180.154 176.870 -0.008 0.000 1.077 17 L CA 1.626 56.438 54.840 -0.045 0.000 0.747 17 L CB -0.741 41.291 42.059 -0.045 0.000 0.896 17 L HN 0.511 nan 8.230 nan 0.000 0.432 18 S N 0.025 115.672 115.700 -0.088 0.000 2.382 18 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 18 S C 2.155 176.640 174.600 -0.191 0.000 1.027 18 S CA 0.829 58.968 58.200 -0.102 0.000 0.991 18 S CB -0.469 62.528 63.200 -0.339 0.000 0.823 18 S HN 0.347 nan 8.310 nan 0.000 0.469 19 A N 1.691 124.409 122.820 -0.169 0.000 1.972 19 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 19 A C 2.198 179.743 177.584 -0.066 0.000 1.169 19 A CA 1.612 53.565 52.037 -0.140 0.000 0.635 19 A CB -0.761 18.178 19.000 -0.102 0.000 0.810 19 A HN 0.766 nan 8.150 nan 0.000 0.446 20 E N -0.449 119.738 120.200 -0.021 0.000 2.076 20 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 20 E C 1.693 178.337 176.600 0.072 0.000 0.979 20 E CA 0.872 57.285 56.400 0.022 0.000 0.807 20 E CB -0.107 29.611 29.700 0.030 0.000 0.761 20 E HN 0.497 nan 8.360 nan 0.000 0.454 21 E N 1.027 121.307 120.200 0.135 0.000 2.160 21 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 21 E C 1.870 178.629 176.600 0.265 0.000 0.991 21 E CA 0.910 57.472 56.400 0.270 0.000 0.810 21 E CB -0.078 29.894 29.700 0.454 0.000 0.742 21 E HN 0.311 nan 8.360 nan 0.000 0.466 22 K N 0.148 120.639 120.400 0.151 0.000 2.280 22 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 22 K C 1.944 178.603 176.600 0.099 0.000 1.047 22 K CA 1.504 57.869 56.287 0.130 0.000 0.942 22 K CB -0.100 32.366 32.500 -0.057 0.000 0.739 22 K HN 0.171 nan 8.250 nan 0.000 0.457 23 T N -1.705 112.887 114.554 0.062 0.000 3.086 23 T HA 0.139 4.489 4.350 -0.000 0.000 0.250 23 T C 0.312 175.022 174.700 0.017 0.000 1.074 23 T CA -0.269 61.851 62.100 0.032 0.000 0.988 23 T CB 0.148 69.023 68.868 0.012 0.000 0.988 23 T HN -0.075 nan 8.240 nan 0.000 0.530 24 K N 1.555 121.973 120.400 0.030 0.000 2.207 24 K HA 0.472 4.792 4.320 -0.000 0.000 0.255 24 K C -1.262 175.308 176.600 -0.050 0.000 0.941 24 K CA -0.894 55.355 56.287 -0.065 0.000 0.825 24 K CB 1.284 33.702 32.500 -0.138 0.000 1.119 24 K HN 0.126 nan 8.250 nan 0.000 0.430 25 D N 2.587 122.912 120.400 -0.126 0.000 2.198 25 D HA 0.129 4.769 4.640 -0.000 0.000 0.245 25 D C 1.296 177.564 176.300 -0.053 0.000 1.079 25 D CA -0.280 53.688 54.000 -0.054 0.000 0.854 25 D CB 1.592 42.370 40.800 -0.036 0.000 1.148 25 D HN 0.323 nan 8.370 nan 0.000 0.456 26 L N 2.093 123.353 121.223 0.062 0.000 2.079 26 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 26 L C 2.468 179.392 176.870 0.090 0.000 1.081 26 L CA 1.262 56.182 54.840 0.134 0.000 0.752 26 L CB -0.344 41.764 42.059 0.082 0.000 0.896 26 L HN 0.454 nan 8.230 nan 0.000 0.433 27 K N -0.534 119.889 120.400 0.038 0.000 2.103 27 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 27 K C 1.302 177.914 176.600 0.021 0.000 1.048 27 K CA 1.813 58.117 56.287 0.027 0.000 0.930 27 K CB -0.346 32.164 32.500 0.016 0.000 0.716 27 K HN 0.291 nan 8.250 nan 0.000 0.444 28 D N 0.353 120.743 120.400 -0.017 0.000 2.103 28 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 28 D C 1.977 178.289 176.300 0.020 0.000 0.978 28 D CA 1.054 55.029 54.000 -0.041 0.000 0.829 28 D CB -0.347 40.379 40.800 -0.123 0.000 0.981 28 D HN 0.198 nan 8.370 nan 0.000 0.464 29 Y N 1.254 121.564 120.300 0.016 0.000 2.165 29 Y HA -0.093 4.457 4.550 -0.000 0.000 0.286 29 Y C 2.406 178.314 175.900 0.012 0.000 1.155 29 Y CA 0.527 58.637 58.100 0.017 0.000 1.164 29 Y CB -0.750 37.719 38.460 0.014 0.000 0.978 29 Y HN -0.046 nan 8.280 nan 0.000 0.513 30 L N 0.018 121.341 121.223 0.168 0.000 2.549 30 L HA -0.161 4.179 4.340 -0.000 0.000 0.229 30 L C 1.336 178.245 176.870 0.065 0.000 1.158 30 L CA 0.617 55.512 54.840 0.091 0.000 0.842 30 L CB -0.372 41.723 42.059 0.059 0.000 0.952 30 L HN 0.208 nan 8.230 nan 0.000 0.452 31 N N -0.974 117.766 118.700 0.067 0.000 2.353 31 N HA -0.041 4.699 4.740 -0.000 0.000 0.185 31 N C 0.271 175.812 175.510 0.052 0.000 1.098 31 N CA 0.378 53.455 53.050 0.046 0.000 0.872 31 N CB 0.097 38.603 38.487 0.032 0.000 0.970 31 N HN 0.169 nan 8.380 nan 0.000 0.467 32 D N 1.199 121.644 120.400 0.075 0.000 2.411 32 D HA 0.074 4.714 4.640 -0.000 0.000 0.225 32 D C 0.987 177.320 176.300 0.054 0.000 1.156 32 D CA -0.108 53.935 54.000 0.072 0.000 0.874 32 D CB 0.895 41.762 40.800 0.111 0.000 1.034 32 D HN -0.065 nan 8.370 nan 0.000 0.502 33 K N 3.250 123.673 120.400 0.039 0.000 2.097 33 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 33 K C 1.243 177.859 176.600 0.027 0.000 1.049 33 K CA 0.794 57.100 56.287 0.031 0.000 0.933 33 K CB 0.254 32.769 32.500 0.024 0.000 0.717 33 K HN 0.298 nan 8.250 nan 0.000 0.442 34 N N 0.870 119.586 118.700 0.027 0.000 2.084 34 N HA -0.185 4.554 4.740 -0.000 0.000 0.190 34 N C 1.793 177.313 175.510 0.016 0.000 1.030 34 N CA 1.049 54.111 53.050 0.019 0.000 0.849 34 N CB -0.243 38.255 38.487 0.020 0.000 1.012 34 N HN 0.257 nan 8.380 nan 0.000 0.423 35 R N 0.705 121.219 120.500 0.023 0.000 2.081 35 R HA -0.002 4.338 4.340 -0.000 0.000 0.235 35 R C 2.073 178.376 176.300 0.005 0.000 1.131 35 R CA 1.440 57.544 56.100 0.007 0.000 0.960 35 R CB -0.080 30.226 30.300 0.011 0.000 0.856 35 R HN 0.082 nan 8.270 nan 0.000 0.436 36 S N 0.728 116.439 115.700 0.020 0.000 2.370 36 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 36 S C 1.607 176.221 174.600 0.023 0.000 1.033 36 S CA 1.516 59.731 58.200 0.025 0.000 1.011 36 S CB -0.161 63.060 63.200 0.035 0.000 0.852 36 S HN 0.455 nan 8.310 nan 0.000 0.457 37 E N 0.793 121.004 120.200 0.018 0.000 2.153 37 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 37 E C 2.141 178.738 176.600 -0.006 0.000 0.988 37 E CA 1.101 57.506 56.400 0.009 0.000 0.811 37 E CB -0.081 29.624 29.700 0.008 0.000 0.746 37 E HN 0.331 nan 8.360 nan 0.000 0.466 38 S N 0.564 116.260 115.700 -0.007 0.000 2.387 38 S HA 0.016 4.486 4.470 -0.000 0.000 0.226 38 S C 1.724 176.314 174.600 -0.016 0.000 1.026 38 S CA 0.595 58.784 58.200 -0.018 0.000 0.972 38 S CB 0.113 63.299 63.200 -0.023 0.000 0.814 38 S HN 0.205 nan 8.310 nan 0.000 0.477 39 L N 0.826 122.050 121.223 0.000 0.000 2.592 39 L HA 0.363 4.703 4.340 -0.000 0.000 0.227 39 L C -0.260 176.625 176.870 0.026 0.000 1.127 39 L CA 0.257 55.110 54.840 0.021 0.000 0.884 39 L CB -0.131 41.955 42.059 0.045 0.000 1.065 39 L HN 0.183 nan 8.230 nan 0.000 0.457 40 I N 1.042 121.620 120.570 0.012 0.000 2.328 40 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 40 I C -0.150 175.929 176.117 -0.063 0.000 1.012 40 I CA -0.319 60.990 61.300 0.015 0.000 1.195 40 I CB 1.108 39.150 38.000 0.068 0.000 1.350 40 I HN -0.052 nan 8.210 nan 0.000 0.464 41 K N 5.187 125.534 120.400 -0.089 0.000 2.208 41 K HA 0.772 5.092 4.320 -0.000 0.000 0.247 41 K C -0.290 176.111 176.600 -0.332 0.000 0.953 41 K CA -0.787 55.401 56.287 -0.165 0.000 0.837 41 K CB 1.840 34.286 32.500 -0.090 0.000 1.131 41 K HN 0.497 nan 8.250 nan 0.000 0.431 42 K N 1.380 121.541 120.400 -0.398 0.000 2.316 42 K HA 0.666 4.986 4.320 -0.000 0.000 0.251 42 K C -1.559 174.813 176.600 -0.380 0.000 0.934 42 K CA -0.773 55.192 56.287 -0.538 0.000 0.802 42 K CB 1.450 33.559 32.500 -0.650 0.000 1.171 42 K HN 0.602 nan 8.250 nan 0.000 0.426 43 F N 3.214 122.714 119.950 -0.749 0.000 2.730 43 F HA 0.378 4.905 4.527 -0.000 0.000 0.335 43 F C 0.496 176.060 175.800 -0.394 0.000 1.212 43 F CA -0.625 57.016 58.000 -0.599 0.000 1.016 43 F CB 1.051 39.602 39.000 -0.748 0.000 1.290 43 F HN 0.839 nan 8.300 nan 0.000 0.495 44 K N 2.620 122.580 120.400 -0.734 0.000 1.795 44 K HA -0.304 4.016 4.320 -0.000 0.000 0.138 44 K C 0.127 176.672 176.600 -0.091 0.000 1.027 44 K CA 1.742 57.784 56.287 -0.408 0.000 0.303 44 K CB -1.028 31.266 32.500 -0.344 0.000 0.699 44 K HN 0.853 nan 8.250 nan 0.000 0.789 45 N N 2.153 120.933 118.700 0.133 0.000 2.378 45 N HA 0.243 4.983 4.740 -0.000 0.000 0.243 45 N C 0.020 175.746 175.510 0.360 0.000 1.137 45 N CA 0.070 53.267 53.050 0.245 0.000 0.862 45 N CB -0.207 38.453 38.487 0.288 0.000 1.116 45 N HN 0.373 nan 8.380 nan 0.000 0.499 46 F N -1.493 118.495 119.950 0.063 0.000 2.654 46 F HA 0.540 5.067 4.527 -0.000 0.000 0.308 46 F C -1.945 173.904 175.800 0.081 0.000 1.108 46 F CA -1.437 56.512 58.000 -0.085 0.000 0.957 46 F CB 1.008 39.573 39.000 -0.725 0.000 1.309 46 F HN -0.211 nan 8.300 nan 0.000 0.446 47 Y N 3.228 123.491 120.300 -0.062 0.000 2.393 47 Y HA 0.584 5.134 4.550 -0.000 0.000 0.341 47 Y C -0.244 175.690 175.900 0.056 0.000 0.988 47 Y CA -1.231 56.823 58.100 -0.078 0.000 1.078 47 Y CB 2.310 40.767 38.460 -0.004 0.000 1.203 47 Y HN 0.762 nan 8.280 nan 0.000 0.453 48 M N 3.961 123.648 119.600 0.145 0.000 2.181 48 M HA 0.290 4.770 4.480 -0.000 0.000 0.323 48 M C -1.807 174.562 176.300 0.115 0.000 1.004 48 M CA -0.565 54.836 55.300 0.168 0.000 0.941 48 M CB 0.951 33.660 32.600 0.182 0.000 1.579 48 M HN 0.584 nan 8.290 nan 0.000 0.427 49 D N 5.464 125.931 120.400 0.111 0.000 2.441 49 D HA 0.284 4.924 4.640 -0.000 0.000 0.231 49 D C -0.156 176.169 176.300 0.043 0.000 1.073 49 D CA -0.220 53.827 54.000 0.079 0.000 0.850 49 D CB 0.892 41.745 40.800 0.088 0.000 1.062 49 D HN 0.763 nan 8.370 nan 0.000 0.524 50 L N 2.699 123.951 121.223 0.049 0.000 2.628 50 L HA 0.045 4.385 4.340 -0.000 0.000 0.229 50 L C 2.081 178.947 176.870 -0.006 0.000 1.137 50 L CA -0.004 54.864 54.840 0.046 0.000 0.909 50 L CB 0.017 42.158 42.059 0.138 0.000 1.137 50 L HN 0.331 nan 8.230 nan 0.000 0.470 51 S N -0.120 115.573 115.700 -0.012 0.000 2.447 51 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 51 S C 1.594 176.138 174.600 -0.092 0.000 1.006 51 S CA 0.554 58.728 58.200 -0.043 0.000 0.957 51 S CB -0.238 62.958 63.200 -0.007 0.000 0.773 51 S HN 0.448 nan 8.310 nan 0.000 0.507 52 R N 1.478 121.918 120.500 -0.099 0.000 3.081 52 R HA 0.309 4.649 4.340 -0.000 0.000 0.280 52 R C -0.301 175.887 176.300 -0.187 0.000 1.372 52 R CA -0.033 55.999 56.100 -0.112 0.000 1.242 52 R CB 0.068 30.311 30.300 -0.095 0.000 1.316 52 R HN 0.424 nan 8.270 nan 0.000 0.585 53 Q N 0.624 120.229 119.800 -0.326 0.000 2.306 53 Q HA 0.266 4.606 4.340 -0.000 0.000 0.265 53 Q C -0.005 175.628 176.000 -0.611 0.000 1.022 53 Q CA -0.641 54.828 55.803 -0.556 0.000 0.853 53 Q CB 1.862 30.054 28.738 -0.909 0.000 1.327 53 Q HN 0.181 nan 8.270 nan 0.000 0.449 54 R N 2.308 122.558 120.500 -0.417 0.000 4.860 54 R HA 0.128 4.468 4.340 -0.000 0.000 0.191 54 R C -0.599 175.765 176.300 0.107 0.000 1.936 54 R CA 0.138 56.184 56.100 -0.090 0.000 1.609 54 R CB -0.874 29.366 30.300 -0.100 0.000 1.392 54 R HN 0.454 nan 8.270 nan 0.000 0.844 55 Y N -3.172 117.111 120.300 -0.028 0.000 2.544 55 Y HA 0.434 4.983 4.550 -0.000 0.000 0.342 55 Y C -0.107 175.533 175.900 -0.433 0.000 1.062 55 Y CA -1.577 56.434 58.100 -0.148 0.000 1.023 55 Y CB 0.899 39.151 38.460 -0.348 0.000 1.308 55 Y HN 0.028 nan 8.280 nan 0.000 0.457 56 S N 0.286 115.953 115.700 -0.056 0.000 2.655 56 S HA 0.228 4.698 4.470 -0.000 0.000 0.265 56 S C 0.449 174.991 174.600 -0.097 0.000 1.240 56 S CA -0.246 57.855 58.200 -0.166 0.000 0.986 56 S CB 1.378 64.640 63.200 0.103 0.000 0.985 56 S HN 0.870 nan 8.310 nan 0.000 0.562 57 E N 0.313 120.460 120.200 -0.087 0.000 2.153 57 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 57 E C 1.897 178.436 176.600 -0.102 0.000 0.988 57 E CA 0.970 57.313 56.400 -0.095 0.000 0.811 57 E CB -0.124 29.541 29.700 -0.058 0.000 0.746 57 E HN 0.644 nan 8.360 nan 0.000 0.466 58 K N 0.223 120.589 120.400 -0.056 0.000 2.057 58 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 58 K C 2.005 178.556 176.600 -0.081 0.000 1.049 58 K CA 1.570 57.828 56.287 -0.048 0.000 0.931 58 K CB 0.040 32.536 32.500 -0.006 0.000 0.714 58 K HN 0.057 nan 8.250 nan 0.000 0.440 59 T N 1.658 116.158 114.554 -0.089 0.000 2.821 59 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 59 T C 1.599 176.113 174.700 -0.309 0.000 1.046 59 T CA 0.826 62.844 62.100 -0.136 0.000 1.139 59 T CB -0.092 68.754 68.868 -0.036 0.000 0.871 59 T HN 0.107 nan 8.240 nan 0.000 0.454 60 L N 1.952 122.907 121.223 -0.447 0.000 2.093 60 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 60 L C 1.858 178.539 176.870 -0.314 0.000 1.085 60 L CA 1.522 55.994 54.840 -0.613 0.000 0.755 60 L CB -0.777 40.836 42.059 -0.743 0.000 0.904 60 L HN 0.078 nan 8.230 nan 0.000 0.435 61 N N -0.109 118.469 118.700 -0.203 0.000 2.166 61 N HA -0.202 4.538 4.740 -0.000 0.000 0.186 61 N C 1.819 177.275 175.510 -0.090 0.000 1.019 61 N CA 1.077 54.054 53.050 -0.122 0.000 0.856 61 N CB -0.225 38.210 38.487 -0.087 0.000 0.993 61 N HN 0.234 nan 8.380 nan 0.000 0.426 62 K N 1.177 121.521 120.400 -0.094 0.000 2.097 62 K HA 0.094 4.414 4.320 -0.000 0.000 0.205 62 K C 1.905 178.499 176.600 -0.010 0.000 1.050 62 K CA 0.654 56.912 56.287 -0.049 0.000 0.938 62 K CB -0.386 32.077 32.500 -0.060 0.000 0.718 62 K HN 0.116 nan 8.250 nan 0.000 0.442 63 L N -0.295 120.888 121.223 -0.066 0.000 2.083 63 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 63 L C 2.115 179.025 176.870 0.066 0.000 1.083 63 L CA 0.850 55.700 54.840 0.017 0.000 0.752 63 L CB -0.322 41.680 42.059 -0.095 0.000 0.899 63 L HN -0.011 nan 8.230 nan 0.000 0.433 64 V N -0.417 119.486 119.914 -0.018 0.000 2.427 64 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 64 V C 2.296 178.389 176.094 -0.001 0.000 1.051 64 V CA 1.674 63.963 62.300 -0.017 0.000 1.048 64 V CB -0.446 31.345 31.823 -0.054 0.000 0.666 64 V HN 0.460 nan 8.190 nan 0.000 0.456 65 E N -0.940 119.267 120.200 0.011 0.000 2.110 65 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 65 E C 2.059 178.683 176.600 0.039 0.000 0.988 65 E CA 1.568 57.977 56.400 0.014 0.000 0.804 65 E CB -0.224 29.488 29.700 0.019 0.000 0.745 65 E HN 0.776 nan 8.360 nan 0.000 0.458 66 Y N 1.157 121.454 120.300 -0.006 0.000 2.145 66 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 66 Y C 2.259 178.141 175.900 -0.030 0.000 1.145 66 Y CA 1.504 59.614 58.100 0.016 0.000 1.148 66 Y CB -0.273 38.232 38.460 0.074 0.000 0.981 66 Y HN -0.004 nan 8.280 nan 0.000 0.507 67 A N 0.328 123.120 122.820 -0.047 0.000 1.908 67 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 67 A C 2.038 179.519 177.584 -0.172 0.000 1.181 67 A CA 2.100 54.065 52.037 -0.120 0.000 0.627 67 A CB -0.767 18.222 19.000 -0.018 0.000 0.818 67 A HN 0.667 nan 8.150 nan 0.000 0.445 68 E N -0.846 119.278 120.200 -0.127 0.000 2.077 68 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 68 E C 2.084 178.594 176.600 -0.151 0.000 0.989 68 E CA 1.205 57.532 56.400 -0.121 0.000 0.800 68 E CB -0.142 29.509 29.700 -0.082 0.000 0.746 68 E HN 0.780 nan 8.360 nan 0.000 0.452 69 E N 0.442 120.535 120.200 -0.179 0.000 2.153 69 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 69 E C 1.975 178.431 176.600 -0.240 0.000 0.988 69 E CA 1.344 57.635 56.400 -0.182 0.000 0.811 69 E CB 0.213 29.827 29.700 -0.143 0.000 0.746 69 E HN 0.225 nan 8.360 nan 0.000 0.466 70 V N -1.893 117.798 119.914 -0.372 0.000 3.573 70 V HA 0.065 4.185 4.120 -0.000 0.000 0.270 70 V C 0.087 176.055 176.094 -0.209 0.000 1.221 70 V CA 0.631 62.745 62.300 -0.310 0.000 1.163 70 V CB -0.555 31.022 31.823 -0.410 0.000 0.847 70 V HN 0.242 nan 8.190 nan 0.000 0.468 71 E N -0.816 119.268 120.200 -0.195 0.000 2.340 71 E HA -0.280 4.070 4.350 -0.000 0.000 0.240 71 E C 0.820 177.295 176.600 -0.208 0.000 1.154 71 E CA 0.589 56.883 56.400 -0.177 0.000 0.717 71 E CB -1.580 28.024 29.700 -0.159 0.000 1.250 71 E HN 0.594 nan 8.360 nan 0.000 0.386 72 L N 0.937 122.051 121.223 -0.181 0.000 2.012 72 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 72 L C 2.183 178.937 176.870 -0.193 0.000 1.073 72 L CA 2.026 56.777 54.840 -0.148 0.000 0.748 72 L CB -0.158 41.870 42.059 -0.052 0.000 0.891 72 L HN 0.107 nan 8.230 nan 0.000 0.431 73 K N -0.141 120.148 120.400 -0.186 0.000 2.097 73 K HA -0.238 4.082 4.320 -0.000 0.000 0.206 73 K C 2.211 178.663 176.600 -0.247 0.000 1.049 73 K CA 1.604 57.756 56.287 -0.225 0.000 0.933 73 K CB -0.244 32.139 32.500 -0.194 0.000 0.717 73 K HN 0.437 nan 8.250 nan 0.000 0.442 74 K N 1.517 121.783 120.400 -0.225 0.000 2.026 74 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 74 K C 1.888 178.327 176.600 -0.267 0.000 1.048 74 K CA 1.530 57.688 56.287 -0.214 0.000 0.929 74 K CB 0.079 32.470 32.500 -0.181 0.000 0.713 74 K HN -0.005 nan 8.250 nan 0.000 0.439 75 K N 0.150 120.313 120.400 -0.395 0.000 2.057 75 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 75 K C 2.026 178.329 176.600 -0.495 0.000 1.050 75 K CA 1.236 57.123 56.287 -0.668 0.000 0.935 75 K CB 0.002 31.705 32.500 -1.329 0.000 0.715 75 K HN -0.031 nan 8.250 nan 0.000 0.439 76 V N 1.625 121.358 119.914 -0.301 0.000 2.343 76 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 76 V C 2.300 178.364 176.094 -0.051 0.000 1.051 76 V CA 1.840 64.099 62.300 -0.068 0.000 1.036 76 V CB -0.354 31.277 31.823 -0.320 0.000 0.654 76 V HN 0.386 nan 8.190 nan 0.000 0.451 77 E N 0.230 120.308 120.200 -0.202 0.000 2.085 77 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 77 E C 2.254 178.811 176.600 -0.071 0.000 0.994 77 E CA 1.500 57.791 56.400 -0.181 0.000 0.801 77 E CB -0.049 29.519 29.700 -0.219 0.000 0.743 77 E HN 0.566 nan 8.360 nan 0.000 0.453 78 K N -0.368 119.977 120.400 -0.093 0.000 2.097 78 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 78 K C 2.210 178.791 176.600 -0.031 0.000 1.049 78 K CA 1.782 58.027 56.287 -0.069 0.000 0.933 78 K CB -0.108 32.337 32.500 -0.092 0.000 0.717 78 K HN 0.134 nan 8.250 nan 0.000 0.442 79 T N 0.807 115.373 114.554 0.021 0.000 2.674 79 T HA -0.124 4.225 4.350 -0.000 0.000 0.265 79 T C 1.601 176.252 174.700 -0.081 0.000 1.039 79 T CA 1.370 63.466 62.100 -0.008 0.000 1.150 79 T CB -0.416 68.528 68.868 0.127 0.000 0.864 79 T HN 0.110 nan 8.240 nan 0.000 0.427 80 F N 0.948 120.807 119.950 -0.150 0.000 2.161 80 F HA -0.021 4.506 4.527 -0.000 0.000 0.300 80 F C 2.474 178.178 175.800 -0.161 0.000 1.089 80 F CA 0.985 58.890 58.000 -0.158 0.000 1.282 80 F CB -0.510 38.399 39.000 -0.152 0.000 1.010 80 F HN 0.085 nan 8.300 nan 0.000 0.485 81 M N -0.917 118.697 119.600 0.024 0.000 2.374 81 M HA -0.005 4.475 4.480 -0.000 0.000 0.264 81 M C 1.679 177.913 176.300 -0.110 0.000 1.067 81 M CA 1.494 56.766 55.300 -0.047 0.000 1.103 81 M CB -0.418 32.149 32.600 -0.055 0.000 1.402 81 M HN 0.337 nan 8.290 nan 0.000 0.444 82 G N 0.612 109.322 108.800 -0.149 0.000 2.144 82 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 82 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 82 G C -0.254 174.563 174.900 -0.138 0.000 0.988 82 G CA -0.321 44.657 45.100 -0.204 0.000 0.659 82 G HN 0.474 nan 8.290 nan 0.000 0.522 83 E N 0.352 120.495 120.200 -0.095 0.000 2.404 83 E HA 0.231 4.581 4.350 -0.000 0.000 0.261 83 E C 0.315 176.889 176.600 -0.044 0.000 1.074 83 E CA -0.144 56.221 56.400 -0.058 0.000 0.917 83 E CB 0.545 30.219 29.700 -0.044 0.000 0.965 83 E HN 0.265 nan 8.360 nan 0.000 0.433 84 K N 1.879 122.273 120.400 -0.010 0.000 2.408 84 K HA -0.006 4.314 4.320 -0.000 0.000 0.231 84 K C 1.184 177.816 176.600 0.052 0.000 1.261 84 K CA -0.129 56.169 56.287 0.019 0.000 1.193 84 K CB -0.377 32.147 32.500 0.039 0.000 1.431 84 K HN 0.352 nan 8.250 nan 0.000 0.243 85 V N -1.776 118.163 119.914 0.043 0.000 2.809 85 V HA -0.112 4.008 4.120 -0.000 0.000 0.256 85 V C 0.845 177.079 176.094 0.234 0.000 1.080 85 V CA 0.806 63.193 62.300 0.146 0.000 1.102 85 V CB -0.454 31.495 31.823 0.210 0.000 0.705 85 V HN 0.444 nan 8.190 nan 0.000 0.475 86 N N 1.987 120.780 118.700 0.156 0.000 2.605 86 N HA 0.151 4.891 4.740 -0.000 0.000 0.258 86 N C 0.754 176.392 175.510 0.214 0.000 1.156 86 N CA -0.069 53.136 53.050 0.258 0.000 1.008 86 N CB 0.778 39.379 38.487 0.190 0.000 1.354 86 N HN 0.645 nan 8.380 nan 0.000 0.509 87 M N 0.932 120.669 119.600 0.229 0.000 2.557 87 M HA 0.050 4.530 4.480 -0.000 0.000 0.259 87 M C 1.536 177.951 176.300 0.193 0.000 1.086 87 M CA 1.198 56.610 55.300 0.185 0.000 1.096 87 M CB -1.069 31.632 32.600 0.168 0.000 1.424 87 M HN 0.304 nan 8.290 nan 0.000 0.488 88 T N -2.662 112.047 114.554 0.259 0.000 3.044 88 T HA 0.170 4.520 4.350 -0.000 0.000 0.255 88 T C 1.522 176.452 174.700 0.384 0.000 1.073 88 T CA 0.645 62.941 62.100 0.327 0.000 1.125 88 T CB -0.223 68.952 68.868 0.512 0.000 0.908 88 T HN 0.579 nan 8.240 nan 0.000 0.480 89 E N 0.818 121.210 120.200 0.320 0.000 2.498 89 E HA 0.214 4.564 4.350 -0.000 0.000 0.203 89 E C -0.106 176.602 176.600 0.180 0.000 1.013 89 E CA -0.406 56.155 56.400 0.268 0.000 0.927 89 E CB 0.148 29.949 29.700 0.169 0.000 1.012 89 E HN 0.340 nan 8.360 nan 0.000 0.482 90 N N 2.125 120.922 118.700 0.160 0.000 2.696 90 N HA -0.188 4.552 4.740 -0.000 0.000 0.256 90 N C -1.365 174.208 175.510 0.105 0.000 1.031 90 N CA 0.632 53.753 53.050 0.119 0.000 0.730 90 N CB -0.551 37.997 38.487 0.101 0.000 0.894 90 N HN 0.120 nan 8.380 nan 0.000 0.544 91 R N -0.071 120.492 120.500 0.105 0.000 2.837 91 R HA 0.502 4.842 4.340 -0.000 0.000 0.271 91 R C -0.236 176.100 176.300 0.060 0.000 0.993 91 R CA -0.802 55.357 56.100 0.098 0.000 0.931 91 R CB 1.558 31.925 30.300 0.113 0.000 1.206 91 R HN 0.138 nan 8.270 nan 0.000 0.474 92 S N 0.360 116.101 115.700 0.068 0.000 2.614 92 S HA 0.296 4.766 4.470 -0.000 0.000 0.265 92 S C -0.213 174.367 174.600 -0.034 0.000 1.303 92 S CA -0.503 57.687 58.200 -0.017 0.000 1.000 92 S CB 1.136 64.299 63.200 -0.060 0.000 0.935 92 S HN 0.275 nan 8.310 nan 0.000 0.551 93 V N 2.979 122.769 119.914 -0.206 0.000 2.340 93 V HA 0.327 4.447 4.120 -0.000 0.000 0.277 93 V C -0.458 175.422 176.094 -0.357 0.000 1.017 93 V CA -0.167 61.930 62.300 -0.337 0.000 0.820 93 V CB 0.469 31.763 31.823 -0.882 0.000 1.028 93 V HN 0.728 nan 8.190 nan 0.000 0.436 94 L N 4.576 125.717 121.223 -0.136 0.000 3.255 94 L HA 0.295 4.635 4.340 -0.000 0.000 0.293 94 L C 1.900 178.763 176.870 -0.011 0.000 1.302 94 L CA -0.240 54.425 54.840 -0.291 0.000 0.977 94 L CB 0.057 41.672 42.059 -0.740 0.000 1.390 94 L HN 0.789 nan 8.230 nan 0.000 0.588 95 H N -1.717 117.417 119.070 0.106 0.000 2.456 95 H HA -0.119 4.437 4.556 -0.000 0.000 0.296 95 H C 1.794 177.193 175.328 0.118 0.000 1.079 95 H CA 1.652 57.823 56.048 0.204 0.000 1.322 95 H CB -0.684 29.197 29.762 0.199 0.000 1.388 95 H HN 0.438 nan 8.280 nan 0.000 0.538 96 T N -0.959 113.368 114.554 -0.379 0.000 2.881 96 T HA 0.060 4.410 4.350 -0.000 0.000 0.270 96 T C 2.313 176.992 174.700 -0.036 0.000 1.068 96 T CA 1.028 62.993 62.100 -0.224 0.000 1.131 96 T CB -0.524 67.939 68.868 -0.675 0.000 0.871 96 T HN 0.482 nan 8.240 nan 0.000 0.479 97 A N 1.505 124.274 122.820 -0.086 0.000 2.015 97 A HA 0.232 4.552 4.320 -0.000 0.000 0.219 97 A C 2.338 179.973 177.584 0.083 0.000 1.163 97 A CA 0.880 52.893 52.037 -0.041 0.000 0.646 97 A CB -0.848 18.000 19.000 -0.253 0.000 0.806 97 A HN 0.567 nan 8.150 nan 0.000 0.448 98 L N -0.245 121.098 121.223 0.199 0.000 2.191 98 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 98 L C 2.437 179.401 176.870 0.157 0.000 1.103 98 L CA 1.403 56.389 54.840 0.244 0.000 0.769 98 L CB -0.336 41.927 42.059 0.339 0.000 0.908 98 L HN 0.514 nan 8.230 nan 0.000 0.438 99 R N -0.012 120.583 120.500 0.158 0.000 2.432 99 R HA 0.253 4.593 4.340 -0.000 0.000 0.260 99 R C 0.388 176.714 176.300 0.043 0.000 0.935 99 R CA -0.194 55.990 56.100 0.141 0.000 1.080 99 R CB -0.384 30.028 30.300 0.186 0.000 1.155 99 R HN 0.223 nan 8.270 nan 0.000 0.531 100 I N 5.333 125.911 120.570 0.013 0.000 2.587 100 I HA 0.066 4.236 4.170 -0.000 0.000 0.284 100 I C -1.763 174.330 176.117 -0.040 0.000 1.134 100 I CA -1.705 59.486 61.300 -0.183 0.000 1.410 100 I CB 0.655 38.657 38.000 0.003 0.000 1.392 100 I HN -0.090 nan 8.210 nan 0.000 0.545 101 P HA 0.054 nan 4.420 nan 0.000 0.274 101 P C 0.860 178.129 177.300 -0.052 0.000 1.237 101 P CA -0.288 62.811 63.100 -0.002 0.000 0.793 101 P CB 1.216 32.877 31.700 -0.066 0.000 0.977 102 I N 1.414 121.864 120.570 -0.199 0.000 2.248 102 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 102 I C 2.106 178.101 176.117 -0.204 0.000 1.107 102 I CA 1.724 62.745 61.300 -0.464 0.000 1.373 102 I CB -0.532 37.223 38.000 -0.409 0.000 1.055 102 I HN 0.438 nan 8.210 nan 0.000 0.418 103 E N 0.717 120.857 120.200 -0.101 0.000 2.401 103 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 103 E C 1.338 177.920 176.600 -0.030 0.000 1.023 103 E CA 1.185 57.556 56.400 -0.049 0.000 0.859 103 E CB -0.437 29.253 29.700 -0.017 0.000 0.780 103 E HN 0.565 nan 8.360 nan 0.000 0.523 104 K N 0.287 120.654 120.400 -0.056 0.000 2.373 104 K HA 0.274 4.594 4.320 -0.000 0.000 0.202 104 K C 1.746 178.377 176.600 0.052 0.000 1.025 104 K CA -0.221 56.061 56.287 -0.009 0.000 1.115 104 K CB 0.232 32.594 32.500 -0.231 0.000 0.858 104 K HN 0.032 nan 8.250 nan 0.000 0.525 105 I N 1.604 122.171 120.570 -0.005 0.000 2.248 105 I HA -0.372 3.798 4.170 -0.000 0.000 0.248 105 I C 1.255 177.397 176.117 0.042 0.000 1.107 105 I CA 1.519 62.825 61.300 0.011 0.000 1.373 105 I CB 0.197 38.163 38.000 -0.055 0.000 1.055 105 I HN 0.282 nan 8.210 nan 0.000 0.418 106 N N -0.567 118.160 118.700 0.045 0.000 2.428 106 N HA -0.057 4.683 4.740 -0.000 0.000 0.181 106 N C 1.839 177.386 175.510 0.062 0.000 1.028 106 N CA 1.722 54.797 53.050 0.041 0.000 0.877 106 N CB -0.529 37.972 38.487 0.024 0.000 1.064 106 N HN 0.426 nan 8.380 nan 0.000 0.434 107 T N -1.344 113.275 114.554 0.108 0.000 2.833 107 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 107 T C 0.960 175.709 174.700 0.081 0.000 1.054 107 T CA 1.292 63.465 62.100 0.122 0.000 1.135 107 T CB -0.328 68.668 68.868 0.214 0.000 0.869 107 T HN 0.197 nan 8.240 nan 0.000 0.466 108 H N 1.537 120.629 119.070 0.037 0.000 2.486 108 H HA 0.360 4.915 4.556 -0.000 0.000 0.284 108 H C 0.321 175.662 175.328 0.021 0.000 1.103 108 H CA -0.841 55.238 56.048 0.052 0.000 1.089 108 H CB 0.013 29.834 29.762 0.098 0.000 1.603 108 H HN 0.610 nan 8.280 nan 0.000 0.557 109 K N 1.025 121.469 120.400 0.073 0.000 2.518 109 K HA 0.092 4.412 4.320 -0.000 0.000 0.276 109 K C -0.598 175.986 176.600 -0.025 0.000 0.974 109 K CA 0.402 56.700 56.287 0.017 0.000 0.986 109 K CB 0.793 33.293 32.500 0.001 0.000 0.901 109 K HN 0.128 nan 8.250 nan 0.000 0.497 110 I N 3.281 123.809 120.570 -0.070 0.000 2.468 110 I HA 0.193 4.363 4.170 -0.000 0.000 0.284 110 I C -0.767 175.267 176.117 -0.137 0.000 1.038 110 I CA -0.969 60.255 61.300 -0.127 0.000 1.083 110 I CB 1.579 39.455 38.000 -0.208 0.000 1.223 110 I HN 0.526 nan 8.210 nan 0.000 0.443 111 I N 6.983 127.489 120.570 -0.106 0.000 2.301 111 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 111 I C -0.132 175.929 176.117 -0.092 0.000 1.046 111 I CA -0.268 60.982 61.300 -0.084 0.000 1.282 111 I CB 0.540 38.508 38.000 -0.054 0.000 1.409 111 I HN 0.338 nan 8.210 nan 0.000 0.484 112 I N 5.609 126.126 120.570 -0.089 0.000 2.418 112 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 112 I C -0.008 176.101 176.117 -0.013 0.000 1.008 112 I CA -0.392 60.870 61.300 -0.062 0.000 1.104 112 I CB 1.595 39.541 38.000 -0.090 0.000 1.264 112 I HN 0.516 nan 8.210 nan 0.000 0.438 113 D N 4.553 124.954 120.400 0.002 0.000 2.697 113 D HA -0.255 4.385 4.640 -0.000 0.000 0.238 113 D C 0.879 177.184 176.300 0.008 0.000 1.152 113 D CA 1.445 55.455 54.000 0.015 0.000 0.666 113 D CB -1.384 39.438 40.800 0.037 0.000 1.037 113 D HN 1.010 nan 8.370 nan 0.000 0.423 114 N N -2.969 115.728 118.700 -0.004 0.000 2.708 114 N HA -0.111 4.629 4.740 -0.000 0.000 0.249 114 N C 0.296 175.802 175.510 -0.005 0.000 1.097 114 N CA 2.466 55.513 53.050 -0.006 0.000 0.710 114 N CB -2.158 36.329 38.487 -0.000 0.000 1.032 114 N HN 1.262 nan 8.380 nan 0.000 0.551 115 K N -0.197 120.196 120.400 -0.012 0.000 2.513 115 K HA 0.728 5.048 4.320 -0.000 0.000 0.251 115 K C -0.368 176.211 176.600 -0.036 0.000 0.939 115 K CA -0.174 56.105 56.287 -0.013 0.000 0.793 115 K CB 1.185 33.686 32.500 0.001 0.000 1.241 115 K HN 0.901 nan 8.250 nan 0.000 0.431 116 N N 2.129 120.809 118.700 -0.034 0.000 2.406 116 N HA 0.001 4.741 4.740 -0.000 0.000 0.265 116 N C 1.293 176.760 175.510 -0.072 0.000 1.203 116 N CA 0.187 53.207 53.050 -0.050 0.000 0.945 116 N CB 0.960 39.432 38.487 -0.024 0.000 1.165 116 N HN 0.788 nan 8.380 nan 0.000 0.485 117 V N 3.095 122.929 119.914 -0.134 0.000 2.568 117 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 117 V C 1.874 177.865 176.094 -0.173 0.000 1.072 117 V CA 1.453 63.636 62.300 -0.195 0.000 1.084 117 V CB -0.836 30.784 31.823 -0.337 0.000 0.676 117 V HN 0.607 nan 8.190 nan 0.000 0.469 118 L N -0.262 120.910 121.223 -0.085 0.000 2.265 118 L HA -0.069 4.270 4.340 -0.000 0.000 0.215 118 L C 2.954 179.891 176.870 0.110 0.000 1.117 118 L CA 1.489 56.349 54.840 0.034 0.000 0.782 118 L CB -0.720 41.395 42.059 0.095 0.000 0.914 118 L HN 0.378 nan 8.230 nan 0.000 0.441 119 E N 0.162 120.389 120.200 0.046 0.000 2.107 119 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 119 E C 1.600 178.244 176.600 0.072 0.000 0.982 119 E CA 0.989 57.432 56.400 0.072 0.000 0.809 119 E CB -0.052 29.670 29.700 0.038 0.000 0.756 119 E HN 0.528 nan 8.360 nan 0.000 0.459 120 D N 0.557 120.946 120.400 -0.019 0.000 2.123 120 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 120 D C 2.199 178.536 176.300 0.061 0.000 0.976 120 D CA 0.597 54.593 54.000 -0.007 0.000 0.831 120 D CB -0.042 40.578 40.800 -0.299 0.000 0.974 120 D HN -0.014 nan 8.370 nan 0.000 0.469 121 V N 1.620 121.460 119.914 -0.124 0.000 2.255 121 V HA -0.245 3.874 4.120 -0.000 0.000 0.247 121 V C 2.302 178.415 176.094 0.031 0.000 1.051 121 V CA 1.643 63.953 62.300 0.017 0.000 1.018 121 V CB -0.614 31.168 31.823 -0.069 0.000 0.641 121 V HN 0.328 nan 8.190 nan 0.000 0.445 122 H N -0.025 119.127 119.070 0.137 0.000 2.457 122 H HA -0.043 4.513 4.556 -0.000 0.000 0.294 122 H C 2.356 177.759 175.328 0.126 0.000 1.064 122 H CA 1.381 57.506 56.048 0.129 0.000 1.330 122 H CB -0.451 29.364 29.762 0.087 0.000 1.395 122 H HN 0.510 nan 8.280 nan 0.000 0.541 123 G N 0.512 109.441 108.800 0.215 0.000 2.418 123 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 123 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 123 G C 1.920 176.926 174.900 0.176 0.000 1.158 123 G CA 0.976 46.178 45.100 0.171 0.000 0.771 123 G HN 0.250 nan 8.290 nan 0.000 0.545 124 V N 0.938 121.000 119.914 0.247 0.000 2.307 124 V HA -0.082 4.038 4.120 -0.000 0.000 0.245 124 V C 2.908 179.129 176.094 0.213 0.000 1.045 124 V CA 1.300 63.753 62.300 0.254 0.000 1.024 124 V CB -0.471 31.556 31.823 0.341 0.000 0.651 124 V HN 0.324 nan 8.190 nan 0.000 0.449 125 L N -0.437 120.896 121.223 0.183 0.000 2.079 125 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 125 L C 2.589 179.448 176.870 -0.018 0.000 1.081 125 L CA 1.778 56.703 54.840 0.142 0.000 0.752 125 L CB -0.601 41.576 42.059 0.196 0.000 0.896 125 L HN 0.303 nan 8.230 nan 0.000 0.433 126 K N -0.039 120.382 120.400 0.036 0.000 2.097 126 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 126 K C 2.174 178.769 176.600 -0.010 0.000 1.049 126 K CA 1.189 57.460 56.287 -0.027 0.000 0.933 126 K CB -0.067 32.458 32.500 0.041 0.000 0.717 126 K HN 0.154 nan 8.250 nan 0.000 0.442 127 K N 1.120 121.566 120.400 0.078 0.000 2.057 127 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 127 K C 1.948 178.714 176.600 0.277 0.000 1.050 127 K CA 1.149 57.525 56.287 0.149 0.000 0.935 127 K CB 0.012 32.583 32.500 0.119 0.000 0.715 127 K HN 0.055 nan 8.250 nan 0.000 0.439 128 I N 0.854 121.552 120.570 0.213 0.000 2.202 128 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 128 I C 2.545 178.660 176.117 -0.005 0.000 1.091 128 I CA 1.266 62.627 61.300 0.102 0.000 1.368 128 I CB -0.299 37.717 38.000 0.026 0.000 1.058 128 I HN 0.351 nan 8.210 nan 0.000 0.410 129 E N 1.748 121.781 120.200 -0.278 0.000 2.058 129 E HA -0.318 4.032 4.350 -0.000 0.000 0.194 129 E C 2.455 178.990 176.600 -0.108 0.000 0.997 129 E CA 2.330 58.469 56.400 -0.436 0.000 0.801 129 E CB -0.024 29.151 29.700 -0.876 0.000 0.746 129 E HN 0.407 nan 8.360 nan 0.000 0.450 130 K N 0.467 120.846 120.400 -0.034 0.000 2.002 130 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 130 K C 1.894 178.543 176.600 0.082 0.000 1.048 130 K CA 1.665 57.972 56.287 0.034 0.000 0.930 130 K CB -1.503 31.031 32.500 0.056 0.000 0.714 130 K HN 0.429 nan 8.250 nan 0.000 0.438 131 Y N 2.191 122.518 120.300 0.046 0.000 2.145 131 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 131 Y C 2.907 178.802 175.900 -0.009 0.000 1.145 131 Y CA 2.712 60.850 58.100 0.063 0.000 1.148 131 Y CB -0.183 38.397 38.460 0.200 0.000 0.981 131 Y HN 0.407 nan 8.280 nan 0.000 0.507 132 S N -0.759 114.948 115.700 0.012 0.000 2.383 132 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 132 S C 1.724 176.281 174.600 -0.073 0.000 1.026 132 S CA 1.328 59.476 58.200 -0.087 0.000 0.981 132 S CB -0.567 62.614 63.200 -0.031 0.000 0.818 132 S HN 0.458 nan 8.310 nan 0.000 0.472 133 D N 2.139 122.527 120.400 -0.019 0.000 2.104 133 D HA -0.073 4.567 4.640 -0.000 0.000 0.194 133 D C 1.560 177.850 176.300 -0.017 0.000 0.994 133 D CA 1.405 55.410 54.000 0.008 0.000 0.830 133 D CB -0.588 40.225 40.800 0.021 0.000 0.959 133 D HN 0.378 nan 8.370 nan 0.000 0.452 134 D N 0.088 120.449 120.400 -0.065 0.000 2.144 134 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 134 D C 2.170 178.411 176.300 -0.098 0.000 0.984 134 D CA 0.267 54.219 54.000 -0.080 0.000 0.834 134 D CB -0.073 40.668 40.800 -0.098 0.000 0.955 134 D HN 0.198 nan 8.370 nan 0.000 0.465 135 I N 0.643 121.096 120.570 -0.196 0.000 2.202 135 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 135 I C 2.188 178.368 176.117 0.104 0.000 1.091 135 I CA 1.054 62.294 61.300 -0.100 0.000 1.368 135 I CB -0.529 37.301 38.000 -0.282 0.000 1.058 135 I HN 0.014 nan 8.210 nan 0.000 0.410 136 R N 1.326 121.886 120.500 0.100 0.000 2.148 136 R HA -0.119 4.221 4.340 -0.000 0.000 0.223 136 R C 1.360 177.741 176.300 0.135 0.000 1.088 136 R CA 1.369 57.592 56.100 0.205 0.000 0.985 136 R CB -0.267 30.146 30.300 0.188 0.000 0.880 136 R HN 0.532 nan 8.270 nan 0.000 0.451 137 N N -0.789 117.957 118.700 0.077 0.000 2.230 137 N HA 0.070 4.810 4.740 -0.000 0.000 0.202 137 N C 0.751 176.286 175.510 0.042 0.000 1.119 137 N CA 0.567 53.651 53.050 0.057 0.000 0.851 137 N CB 0.889 39.402 38.487 0.044 0.000 0.990 137 N HN 0.160 nan 8.380 nan 0.000 0.497 138 G N -0.442 108.389 108.800 0.051 0.000 2.153 138 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 138 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 138 G C 0.698 175.610 174.900 0.020 0.000 0.994 138 G CA 0.446 45.568 45.100 0.037 0.000 0.698 138 G HN 0.250 nan 8.290 nan 0.000 0.521 139 V N 0.042 119.965 119.914 0.014 0.000 2.323 139 V HA 0.116 4.236 4.120 -0.000 0.000 0.244 139 V C 1.756 177.857 176.094 0.011 0.000 1.041 139 V CA 1.780 64.085 62.300 0.008 0.000 1.025 139 V CB -0.111 31.715 31.823 0.004 0.000 0.656 139 V HN 0.499 nan 8.190 nan 0.000 0.451 140 I N 0.871 121.444 120.570 0.004 0.000 2.315 140 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 140 I C 0.069 176.250 176.117 0.106 0.000 1.006 140 I CA 0.172 61.492 61.300 0.035 0.000 1.265 140 I CB 0.757 38.723 38.000 -0.057 0.000 1.387 140 I HN 0.166 nan 8.210 nan 0.000 0.475 141 K N 3.506 123.955 120.400 0.081 0.000 2.352 141 K HA 0.532 4.852 4.320 -0.000 0.000 0.240 141 K C 0.035 176.511 176.600 -0.206 0.000 1.017 141 K CA -0.839 55.417 56.287 -0.052 0.000 0.851 141 K CB 1.786 34.241 32.500 -0.075 0.000 1.261 141 K HN 0.633 nan 8.250 nan 0.000 0.451 142 T N -2.679 111.505 114.554 -0.618 0.000 2.698 142 T HA -0.002 4.348 4.350 -0.000 0.000 0.295 142 T C 1.568 176.202 174.700 -0.110 0.000 1.007 142 T CA -0.330 61.352 62.100 -0.696 0.000 0.980 142 T CB 0.270 68.748 68.868 -0.650 0.000 1.036 142 T HN 0.883 nan 8.240 nan 0.000 0.526 143 C N -0.441 118.990 119.300 0.218 0.000 2.472 143 C HA 0.227 4.687 4.460 -0.000 0.000 0.278 143 C C 1.837 176.786 174.990 -0.069 0.000 1.447 143 C CA 0.128 59.211 59.018 0.108 0.000 1.773 143 C CB -1.821 26.010 27.740 0.152 0.000 1.793 143 C HN 0.984 nan 8.230 nan 0.000 0.544 144 K N 0.566 120.878 120.400 -0.146 0.000 2.446 144 K HA 0.234 4.554 4.320 -0.000 0.000 0.203 144 K C 0.468 176.976 176.600 -0.154 0.000 1.027 144 K CA 0.281 56.433 56.287 -0.226 0.000 1.166 144 K CB -0.614 31.663 32.500 -0.371 0.000 0.869 144 K HN 0.229 nan 8.250 nan 0.000 0.504 145 N N 1.052 119.679 118.700 -0.123 0.000 2.735 145 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 145 N C -1.108 174.337 175.510 -0.109 0.000 1.083 145 N CA 1.361 54.351 53.050 -0.099 0.000 0.703 145 N CB -1.247 37.195 38.487 -0.074 0.000 1.005 145 N HN 0.771 nan 8.380 nan 0.000 0.550 146 T N -3.562 110.901 114.554 -0.153 0.000 2.888 146 T HA 0.526 4.876 4.350 -0.000 0.000 0.288 146 T C 0.011 174.600 174.700 -0.184 0.000 1.063 146 T CA -1.023 60.994 62.100 -0.138 0.000 1.010 146 T CB 1.773 70.567 68.868 -0.123 0.000 1.214 146 T HN 0.154 nan 8.240 nan 0.000 0.533 147 K N 0.321 120.652 120.400 -0.116 0.000 2.237 147 K HA 0.383 4.703 4.320 -0.000 0.000 0.270 147 K C -0.564 175.986 176.600 -0.084 0.000 1.015 147 K CA -0.424 55.826 56.287 -0.063 0.000 0.949 147 K CB 0.332 32.827 32.500 -0.010 0.000 0.976 147 K HN 0.440 nan 8.250 nan 0.000 0.472 148 F N 1.966 121.957 119.950 0.069 0.000 2.506 148 F HA 0.002 4.529 4.527 -0.000 0.000 0.351 148 F C 1.559 177.425 175.800 0.111 0.000 1.136 148 F CA 0.665 58.741 58.000 0.128 0.000 1.298 148 F CB 0.672 39.781 39.000 0.181 0.000 1.145 148 F HN 0.489 nan 8.300 nan 0.000 0.593 149 K N 0.552 121.118 120.400 0.276 0.000 2.462 149 K HA 0.176 4.496 4.320 -0.000 0.000 0.201 149 K C -0.365 176.374 176.600 0.231 0.000 1.268 149 K CA 0.026 56.365 56.287 0.088 0.000 0.933 149 K CB 0.407 32.935 32.500 0.047 0.000 1.162 149 K HN 0.450 nan 8.250 nan 0.000 0.527 150 N N 0.859 119.749 118.700 0.316 0.000 2.272 150 N HA 0.333 5.073 4.740 -0.000 0.000 0.305 150 N C -1.196 174.433 175.510 0.197 0.000 1.103 150 N CA -0.503 52.691 53.050 0.240 0.000 0.791 150 N CB 2.725 41.329 38.487 0.195 0.000 1.356 150 N HN -0.273 nan 8.380 nan 0.000 0.486 151 V N 1.857 121.789 119.914 0.029 0.000 2.482 151 V HA 0.452 4.572 4.120 -0.000 0.000 0.295 151 V C -0.175 175.789 176.094 -0.218 0.000 1.026 151 V CA -0.647 61.580 62.300 -0.122 0.000 0.856 151 V CB 1.471 33.135 31.823 -0.266 0.000 1.001 151 V HN 0.533 nan 8.190 nan 0.000 0.424 152 I N 3.948 124.423 120.570 -0.159 0.000 2.328 152 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 152 I C -0.186 175.793 176.117 -0.229 0.000 1.012 152 I CA -0.162 61.009 61.300 -0.214 0.000 1.195 152 I CB 1.160 39.077 38.000 -0.138 0.000 1.350 152 I HN 0.516 nan 8.210 nan 0.000 0.464 153 C N 7.522 126.616 119.300 -0.343 0.000 2.325 153 C HA 0.485 4.945 4.460 -0.000 0.000 0.347 153 C C 0.472 175.386 174.990 -0.126 0.000 1.263 153 C CA -0.574 58.310 59.018 -0.223 0.000 1.806 153 C CB -0.755 26.852 27.740 -0.222 0.000 2.405 153 C HN 0.529 nan 8.230 nan 0.000 0.537 154 I N 3.755 124.270 120.570 -0.091 0.000 2.355 154 I HA 0.713 4.883 4.170 -0.000 0.000 0.288 154 I C 0.588 176.668 176.117 -0.063 0.000 0.999 154 I CA 0.359 61.603 61.300 -0.092 0.000 1.163 154 I CB 1.132 39.070 38.000 -0.104 0.000 1.316 154 I HN 0.864 nan 8.210 nan 0.000 0.454 155 G N 6.386 115.152 108.800 -0.057 0.000 2.411 155 G HA2 0.522 4.482 3.960 -0.000 0.000 0.295 155 G HA3 0.522 4.482 3.960 -0.000 0.000 0.295 155 G C -1.360 173.555 174.900 0.026 0.000 1.542 155 G CA -0.746 44.356 45.100 0.004 0.000 0.814 155 G HN 0.686 nan 8.290 nan 0.000 0.557 156 I N -0.577 120.046 120.570 0.088 0.000 2.863 156 I HA 0.875 5.045 4.170 -0.000 0.000 0.311 156 I C 1.193 177.461 176.117 0.252 0.000 1.026 156 I CA -0.066 61.326 61.300 0.153 0.000 1.077 156 I CB 1.793 39.828 38.000 0.060 0.000 1.262 156 I HN 1.745 nan 8.210 nan 0.000 0.461 157 G N 3.095 112.068 108.800 0.288 0.000 2.690 157 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.334 157 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.334 157 G C 0.952 175.829 174.900 -0.037 0.000 1.250 157 G CA 0.905 46.062 45.100 0.096 0.000 0.994 157 G HN 1.444 nan 8.290 nan 0.000 0.549 158 G N -0.643 108.138 108.800 -0.031 0.000 2.470 158 G HA2 0.083 4.043 3.960 -0.000 0.000 0.220 158 G HA3 0.083 4.043 3.960 -0.000 0.000 0.220 158 G C 1.948 176.818 174.900 -0.051 0.000 1.121 158 G CA 1.824 46.892 45.100 -0.055 0.000 0.766 158 G HN 1.020 nan 8.290 nan 0.000 0.553 159 S N -0.776 114.938 115.700 0.024 0.000 2.555 159 S HA 0.023 4.493 4.470 -0.000 0.000 0.230 159 S C 1.374 176.037 174.600 0.105 0.000 0.978 159 S CA 1.172 59.392 58.200 0.033 0.000 0.934 159 S CB -0.225 63.014 63.200 0.065 0.000 0.766 159 S HN 0.892 nan 8.310 nan 0.000 0.533 160 Y N -2.691 117.570 120.300 -0.065 0.000 2.450 160 Y HA 0.427 4.976 4.550 -0.000 0.000 0.279 160 Y C 1.216 176.979 175.900 -0.230 0.000 1.106 160 Y CA -0.419 57.618 58.100 -0.104 0.000 1.143 160 Y CB -0.298 38.151 38.460 -0.019 0.000 1.328 160 Y HN -0.029 nan 8.280 nan 0.000 0.553 161 L N 1.649 122.229 121.223 -1.072 0.000 2.013 161 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 161 L C 2.677 179.274 176.870 -0.455 0.000 1.073 161 L CA 2.068 56.423 54.840 -0.808 0.000 0.753 161 L CB -0.861 40.894 42.059 -0.507 0.000 0.890 161 L HN 0.589 nan 8.230 nan 0.000 0.432 162 G N -1.112 107.391 108.800 -0.495 0.000 2.418 162 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 162 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 162 G C 1.554 176.253 174.900 -0.336 0.000 1.158 162 G CA 1.220 45.921 45.100 -0.665 0.000 0.771 162 G HN 0.321 nan 8.290 nan 0.000 0.545 163 T N 0.469 114.853 114.554 -0.285 0.000 2.652 163 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 163 T C 2.110 176.675 174.700 -0.226 0.000 1.039 163 T CA 1.589 63.572 62.100 -0.195 0.000 1.153 163 T CB -0.224 68.621 68.868 -0.039 0.000 0.863 163 T HN 0.527 nan 8.240 nan 0.000 0.428 164 E N 0.202 120.085 120.200 -0.528 0.000 2.110 164 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 164 E C 1.946 178.492 176.600 -0.090 0.000 0.988 164 E CA 0.871 56.928 56.400 -0.571 0.000 0.804 164 E CB -0.226 28.957 29.700 -0.862 0.000 0.745 164 E HN 0.509 nan 8.360 nan 0.000 0.458 165 F N 1.012 120.855 119.950 -0.178 0.000 2.069 165 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 165 F C 1.861 177.659 175.800 -0.002 0.000 1.113 165 F CA 1.567 59.543 58.000 -0.040 0.000 1.214 165 F CB -0.955 38.035 39.000 -0.017 0.000 0.978 165 F HN -0.098 nan 8.300 nan 0.000 0.474 166 V N 0.101 119.546 119.914 -0.783 0.000 2.343 166 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 166 V C 2.234 178.182 176.094 -0.245 0.000 1.051 166 V CA 2.082 63.903 62.300 -0.797 0.000 1.036 166 V CB -1.411 29.929 31.823 -0.806 0.000 0.654 166 V HN 0.587 nan 8.190 nan 0.000 0.451 167 Y N 1.470 121.716 120.300 -0.091 0.000 2.070 167 Y HA -0.223 4.327 4.550 -0.000 0.000 0.280 167 Y C 2.660 178.655 175.900 0.157 0.000 1.148 167 Y CA 2.057 60.254 58.100 0.163 0.000 1.125 167 Y CB -0.247 38.342 38.460 0.215 0.000 0.975 167 Y HN 0.209 nan 8.280 nan 0.000 0.492 168 E N 0.239 120.424 120.200 -0.025 0.000 2.110 168 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 168 E C 2.369 178.949 176.600 -0.034 0.000 0.988 168 E CA 1.063 57.437 56.400 -0.043 0.000 0.804 168 E CB -0.624 29.157 29.700 0.134 0.000 0.745 168 E HN 0.589 nan 8.360 nan 0.000 0.458 169 A N 0.740 123.531 122.820 -0.048 0.000 1.898 169 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 169 A C 2.063 179.570 177.584 -0.128 0.000 1.181 169 A CA 1.406 53.424 52.037 -0.033 0.000 0.620 169 A CB -0.136 18.793 19.000 -0.118 0.000 0.819 169 A HN 0.104 nan 8.150 nan 0.000 0.442 170 M N 0.003 119.371 119.600 -0.387 0.000 2.516 170 M HA 0.038 4.518 4.480 -0.000 0.000 0.259 170 M C 1.917 177.739 176.300 -0.798 0.000 1.146 170 M CA 1.248 56.100 55.300 -0.747 0.000 1.122 170 M CB -0.841 31.030 32.600 -1.214 0.000 1.341 170 M HN 0.689 nan 8.290 nan 0.000 0.478 171 K N -0.020 119.995 120.400 -0.642 0.000 2.074 171 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 171 K C 1.653 177.648 176.600 -1.008 0.000 1.048 171 K CA 1.847 57.669 56.287 -0.774 0.000 0.926 171 K CB -0.841 31.166 32.500 -0.821 0.000 0.713 171 K HN 0.189 nan 8.250 nan 0.000 0.444 172 Y N -0.137 119.900 120.300 -0.438 0.000 2.373 172 Y HA -0.124 4.426 4.550 -0.000 0.000 0.293 172 Y C 2.376 178.100 175.900 -0.293 0.000 1.129 172 Y CA 0.974 58.953 58.100 -0.202 0.000 1.226 172 Y CB -0.492 37.970 38.460 0.005 0.000 1.000 172 Y HN 0.177 nan 8.280 nan 0.000 0.549 173 Y N -0.809 119.116 120.300 -0.626 0.000 2.200 173 Y HA -0.348 4.202 4.550 -0.000 0.000 0.290 173 Y C 2.535 178.275 175.900 -0.266 0.000 1.137 173 Y CA 1.729 59.419 58.100 -0.684 0.000 1.163 173 Y CB -0.750 37.153 38.460 -0.929 0.000 0.988 173 Y HN 0.196 nan 8.280 nan 0.000 0.518 174 Y N -0.226 119.873 120.300 -0.335 0.000 2.114 174 Y HA -0.326 4.224 4.550 -0.000 0.000 0.284 174 Y C 1.926 177.793 175.900 -0.055 0.000 1.143 174 Y CA 2.012 60.014 58.100 -0.163 0.000 1.135 174 Y CB -1.124 37.220 38.460 -0.194 0.000 0.980 174 Y HN 0.180 nan 8.280 nan 0.000 0.499 175 Y N 0.558 120.770 120.300 -0.146 0.000 2.145 175 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 175 Y C 2.347 178.143 175.900 -0.174 0.000 1.145 175 Y CA 1.439 59.435 58.100 -0.174 0.000 1.148 175 Y CB -1.202 37.363 38.460 0.176 0.000 0.981 175 Y HN 0.237 nan 8.280 nan 0.000 0.507 176 N N -0.824 117.928 118.700 0.086 0.000 2.197 176 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 176 N C 1.679 177.105 175.510 -0.139 0.000 1.030 176 N CA 1.240 54.308 53.050 0.031 0.000 0.851 176 N CB -0.459 38.130 38.487 0.170 0.000 1.003 176 N HN 0.211 nan 8.380 nan 0.000 0.430 177 M N 0.767 120.177 119.600 -0.317 0.000 2.236 177 M HA 0.058 4.538 4.480 -0.000 0.000 0.266 177 M C 1.940 178.056 176.300 -0.306 0.000 1.070 177 M CA 1.119 56.176 55.300 -0.405 0.000 1.137 177 M CB -0.231 31.864 32.600 -0.842 0.000 1.378 177 M HN 0.232 nan 8.290 nan 0.000 0.426 178 E N -0.178 119.842 120.200 -0.300 0.000 2.052 178 E HA -0.006 4.344 4.350 -0.000 0.000 0.192 178 E C 1.868 178.349 176.600 -0.198 0.000 0.958 178 E CA 0.393 56.676 56.400 -0.196 0.000 0.835 178 E CB -0.055 29.579 29.700 -0.110 0.000 0.811 178 E HN 0.331 nan 8.360 nan 0.000 0.462 179 L N 1.066 122.116 121.223 -0.288 0.000 2.046 179 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 179 L C 1.987 178.753 176.870 -0.174 0.000 1.077 179 L CA 0.909 55.609 54.840 -0.234 0.000 0.747 179 L CB -0.399 41.490 42.059 -0.283 0.000 0.896 179 L HN 0.219 nan 8.230 nan 0.000 0.432 180 N N 0.224 118.820 118.700 -0.174 0.000 2.280 180 N HA 0.006 4.746 4.740 -0.000 0.000 0.192 180 N C -0.046 175.395 175.510 -0.114 0.000 1.109 180 N CA 0.055 53.016 53.050 -0.147 0.000 0.855 180 N CB 0.462 38.849 38.487 -0.166 0.000 0.974 180 N HN 0.226 nan 8.380 nan 0.000 0.482 181 K N 0.852 121.180 120.400 -0.120 0.000 3.035 181 K HA -0.183 4.137 4.320 -0.000 0.000 0.262 181 K C -0.782 175.761 176.600 -0.094 0.000 1.024 181 K CA 0.360 56.586 56.287 -0.102 0.000 0.748 181 K CB -2.047 30.408 32.500 -0.076 0.000 1.247 181 K HN 0.458 nan 8.250 nan 0.000 0.482 182 N N 1.288 119.926 118.700 -0.104 0.000 2.454 182 N HA 0.036 4.776 4.740 -0.000 0.000 0.254 182 N C -0.328 175.126 175.510 -0.094 0.000 1.228 182 N CA 0.218 53.212 53.050 -0.094 0.000 0.900 182 N CB 0.548 38.982 38.487 -0.087 0.000 1.089 182 N HN 0.167 nan 8.380 nan 0.000 0.449 183 E N 1.000 121.150 120.200 -0.084 0.000 2.212 183 E HA 0.145 4.495 4.350 -0.000 0.000 0.268 183 E C 0.121 176.676 176.600 -0.075 0.000 0.902 183 E CA -0.710 55.646 56.400 -0.074 0.000 0.779 183 E CB 1.936 31.601 29.700 -0.059 0.000 1.172 183 E HN 0.405 nan 8.360 nan 0.000 0.409 184 K N 1.499 121.852 120.400 -0.078 0.000 2.127 184 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 184 K C 1.340 177.915 176.600 -0.041 0.000 1.047 184 K CA 2.023 58.264 56.287 -0.077 0.000 0.927 184 K CB -0.040 32.369 32.500 -0.152 0.000 0.716 184 K HN 0.606 nan 8.250 nan 0.000 0.450 185 D N 0.633 121.010 120.400 -0.039 0.000 2.264 185 D HA -0.156 4.484 4.640 -0.000 0.000 0.208 185 D C 0.246 176.519 176.300 -0.045 0.000 0.966 185 D CA 0.677 54.660 54.000 -0.028 0.000 0.864 185 D CB 0.018 40.805 40.800 -0.022 0.000 0.933 185 D HN 0.326 nan 8.370 nan 0.000 0.499 186 Q N 0.620 120.380 119.800 -0.067 0.000 2.260 186 Q HA 0.470 4.810 4.340 -0.000 0.000 0.242 186 Q C 0.089 176.004 176.000 -0.140 0.000 0.932 186 Q CA -0.775 54.972 55.803 -0.093 0.000 0.891 186 Q CB 2.608 31.287 28.738 -0.098 0.000 1.222 186 Q HN 0.155 nan 8.270 nan 0.000 0.453 187 V N -2.248 117.558 119.914 -0.179 0.000 3.167 187 V HA 0.520 4.640 4.120 -0.000 0.000 0.310 187 V C -0.821 175.062 176.094 -0.352 0.000 1.207 187 V CA -1.264 60.867 62.300 -0.282 0.000 1.059 187 V CB 1.941 33.615 31.823 -0.248 0.000 1.079 187 V HN 0.883 nan 8.190 nan 0.000 0.446 188 N N 1.412 119.774 118.700 -0.563 0.000 2.714 188 N HA -0.171 4.569 4.740 -0.000 0.000 0.253 188 N C -0.043 175.127 175.510 -0.566 0.000 1.024 188 N CA 1.017 53.689 53.050 -0.629 0.000 0.726 188 N CB -1.735 36.702 38.487 -0.084 0.000 0.908 188 N HN 0.899 nan 8.380 nan 0.000 0.542 189 N N 0.349 118.573 118.700 -0.793 0.000 3.115 189 N HA 0.037 4.777 4.740 -0.000 0.000 0.305 189 N C 0.675 176.174 175.510 -0.020 0.000 1.305 189 N CA 0.030 52.878 53.050 -0.336 0.000 1.154 189 N CB -0.329 38.003 38.487 -0.259 0.000 1.454 189 N HN 0.325 nan 8.380 nan 0.000 0.551 190 F N 0.619 120.693 119.950 0.206 0.000 2.451 190 F HA -0.010 4.517 4.527 -0.000 0.000 0.299 190 F C 1.668 177.595 175.800 0.212 0.000 1.101 190 F CA 0.490 58.678 58.000 0.313 0.000 1.436 190 F CB -0.045 39.099 39.000 0.241 0.000 1.074 190 F HN 0.102 nan 8.300 nan 0.000 0.553 191 N N 0.046 118.908 118.700 0.270 0.000 2.383 191 N HA -0.033 4.707 4.740 -0.000 0.000 0.192 191 N C -0.247 175.312 175.510 0.082 0.000 1.141 191 N CA 0.110 53.255 53.050 0.157 0.000 0.851 191 N CB -0.551 37.997 38.487 0.101 0.000 0.976 191 N HN 0.099 nan 8.380 nan 0.000 0.465 192 N N 1.735 120.491 118.700 0.093 0.000 2.412 192 N HA -0.012 4.728 4.740 -0.000 0.000 0.254 192 N C -0.172 175.176 175.510 -0.270 0.000 1.232 192 N CA 0.544 53.528 53.050 -0.111 0.000 0.880 192 N CB 0.258 38.687 38.487 -0.097 0.000 1.076 192 N HN 0.084 nan 8.380 nan 0.000 0.458 193 N N 2.002 120.468 118.700 -0.389 0.000 2.426 193 N HA 0.144 4.884 4.740 -0.000 0.000 0.275 193 N C -0.147 175.019 175.510 -0.574 0.000 1.019 193 N CA -0.127 52.733 53.050 -0.316 0.000 0.941 193 N CB 0.851 39.233 38.487 -0.174 0.000 1.123 193 N HN 0.513 nan 8.380 nan 0.000 0.486 194 Y N -0.801 119.435 120.300 -0.107 0.000 2.500 194 Y HA 0.154 4.704 4.550 -0.000 0.000 0.246 194 Y C 0.395 176.179 175.900 -0.194 0.000 1.146 194 Y CA -0.426 57.536 58.100 -0.229 0.000 1.230 194 Y CB 0.649 38.959 38.460 -0.248 0.000 1.214 194 Y HN 0.373 nan 8.280 nan 0.000 0.526 195 D N 1.646 122.026 120.400 -0.033 0.000 2.590 195 D HA 0.197 4.837 4.640 -0.000 0.000 0.280 195 D C -0.411 175.852 176.300 -0.060 0.000 1.197 195 D CA -0.165 53.813 54.000 -0.036 0.000 0.967 195 D CB -0.103 40.692 40.800 -0.008 0.000 0.987 195 D HN 0.484 nan 8.370 nan 0.000 0.508 196 Q N -0.065 119.687 119.800 -0.081 0.000 2.693 196 Q HA 0.461 4.801 4.340 -0.000 0.000 0.306 196 Q C -1.026 174.927 176.000 -0.078 0.000 0.969 196 Q CA -1.070 54.686 55.803 -0.077 0.000 0.757 196 Q CB 0.718 29.402 28.738 -0.089 0.000 1.494 196 Q HN -0.166 nan 8.270 nan 0.000 0.459 197 D N 1.545 121.908 120.400 -0.062 0.000 2.506 197 D HA 0.025 4.665 4.640 -0.000 0.000 0.234 197 D C -0.144 176.133 176.300 -0.038 0.000 1.143 197 D CA 0.967 54.931 54.000 -0.060 0.000 0.871 197 D CB 0.098 40.887 40.800 -0.018 0.000 1.190 197 D HN 0.628 nan 8.370 nan 0.000 0.459 198 N N 0.205 118.828 118.700 -0.128 0.000 2.735 198 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 198 N C -1.034 174.580 175.510 0.174 0.000 1.083 198 N CA 0.348 53.380 53.050 -0.031 0.000 0.703 198 N CB -1.249 37.432 38.487 0.323 0.000 1.005 198 N HN 0.122 nan 8.380 nan 0.000 0.550 199 V N 1.504 121.392 119.914 -0.043 0.000 2.259 199 V HA 0.357 4.477 4.120 -0.000 0.000 0.267 199 V C 0.295 176.393 176.094 0.006 0.000 1.051 199 V CA -0.500 61.892 62.300 0.153 0.000 0.830 199 V CB -0.205 31.604 31.823 -0.022 0.000 1.080 199 V HN 0.076 nan 8.190 nan 0.000 0.467 200 F N 2.654 122.745 119.950 0.235 0.000 2.396 200 F HA 0.369 4.896 4.527 -0.000 0.000 0.343 200 F C 0.971 176.848 175.800 0.128 0.000 1.104 200 F CA -0.312 57.764 58.000 0.126 0.000 1.161 200 F CB 0.792 39.811 39.000 0.031 0.000 1.146 200 F HN 0.345 nan 8.300 nan 0.000 0.522 201 N N 3.243 122.079 118.700 0.227 0.000 2.555 201 N HA 0.156 4.896 4.740 -0.000 0.000 0.244 201 N C -1.210 174.318 175.510 0.030 0.000 1.114 201 N CA -0.065 53.070 53.050 0.142 0.000 0.963 201 N CB 0.279 38.825 38.487 0.100 0.000 1.276 201 N HN 0.283 nan 8.380 nan 0.000 0.510 202 V N 4.664 124.522 119.914 -0.093 0.000 2.461 202 V HA 0.449 4.569 4.120 -0.000 0.000 0.275 202 V C 0.576 176.366 176.094 -0.506 0.000 1.047 202 V CA -0.515 61.495 62.300 -0.483 0.000 0.955 202 V CB 0.745 31.949 31.823 -1.032 0.000 0.988 202 V HN 0.425 nan 8.190 nan 0.000 0.471 203 R N 3.626 123.777 120.500 -0.582 0.000 2.750 203 R HA 0.570 4.910 4.340 -0.000 0.000 0.281 203 R C -1.575 174.297 176.300 -0.714 0.000 0.972 203 R CA -0.560 55.270 56.100 -0.450 0.000 0.912 203 R CB 2.334 32.491 30.300 -0.238 0.000 1.187 203 R HN 0.542 nan 8.270 nan 0.000 0.464 204 F N 2.179 122.049 119.950 -0.134 0.000 2.403 204 F HA 0.295 4.822 4.527 -0.000 0.000 0.355 204 F C 0.140 175.797 175.800 -0.239 0.000 1.119 204 F CA -0.971 56.927 58.000 -0.170 0.000 1.007 204 F CB 1.281 40.227 39.000 -0.090 0.000 1.194 204 F HN 0.130 nan 8.300 nan 0.000 0.443 205 L N 4.223 125.365 121.223 -0.134 0.000 2.288 205 L HA 0.632 4.972 4.340 -0.000 0.000 0.283 205 L C 0.288 177.016 176.870 -0.237 0.000 1.072 205 L CA 0.233 54.971 54.840 -0.170 0.000 0.862 205 L CB 0.359 42.322 42.059 -0.159 0.000 1.245 205 L HN 0.715 nan 8.230 nan 0.000 0.432 206 A N 3.815 126.436 122.820 -0.332 0.000 1.999 206 A HA 0.241 4.561 4.320 -0.000 0.000 0.200 206 A C 0.891 178.343 177.584 -0.219 0.000 1.363 206 A CA -0.044 51.725 52.037 -0.447 0.000 0.844 206 A CB -0.137 18.240 19.000 -1.039 0.000 0.954 206 A HN 0.607 nan 8.150 nan 0.000 0.481 207 N N 0.455 119.063 118.700 -0.154 0.000 2.529 207 N HA 0.137 4.877 4.740 -0.000 0.000 0.278 207 N C 0.722 176.193 175.510 -0.065 0.000 1.146 207 N CA 0.144 53.146 53.050 -0.079 0.000 0.980 207 N CB 1.722 40.177 38.487 -0.053 0.000 1.124 207 N HN -0.020 nan 8.380 nan 0.000 0.458 208 V N 1.937 121.827 119.914 -0.040 0.000 2.970 208 V HA -0.105 4.015 4.120 -0.000 0.000 0.260 208 V C 0.384 176.467 176.094 -0.019 0.000 1.100 208 V CA 0.707 62.990 62.300 -0.028 0.000 1.122 208 V CB -0.688 31.128 31.823 -0.012 0.000 0.721 208 V HN 0.683 nan 8.190 nan 0.000 0.483 209 D N 1.236 121.625 120.400 -0.018 0.000 2.520 209 D HA -0.008 4.632 4.640 -0.000 0.000 0.243 209 D C -1.177 175.108 176.300 -0.024 0.000 1.160 209 D CA -1.534 52.459 54.000 -0.012 0.000 0.877 209 D CB 1.399 42.193 40.800 -0.010 0.000 1.150 209 D HN 0.254 nan 8.370 nan 0.000 0.494 210 P HA -0.133 nan 4.420 nan 0.000 0.228 210 P C 0.678 177.954 177.300 -0.040 0.000 1.151 210 P CA 0.474 63.556 63.100 -0.030 0.000 0.770 210 P CB 0.365 32.054 31.700 -0.019 0.000 0.786 211 N N 0.553 119.235 118.700 -0.031 0.000 2.223 211 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 211 N C 1.531 177.012 175.510 -0.048 0.000 1.016 211 N CA 1.254 54.284 53.050 -0.033 0.000 0.863 211 N CB -0.833 37.642 38.487 -0.019 0.000 0.983 211 N HN 0.173 nan 8.380 nan 0.000 0.429 212 D N 0.291 120.658 120.400 -0.054 0.000 2.183 212 D HA -0.017 4.623 4.640 -0.000 0.000 0.203 212 D C 1.877 178.115 176.300 -0.104 0.000 0.969 212 D CA 0.186 54.144 54.000 -0.071 0.000 0.842 212 D CB 0.204 40.959 40.800 -0.074 0.000 0.957 212 D HN -0.072 nan 8.370 nan 0.000 0.484 213 V N 0.552 120.401 119.914 -0.108 0.000 2.358 213 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 213 V C 2.291 178.274 176.094 -0.186 0.000 1.047 213 V CA 1.780 63.986 62.300 -0.155 0.000 1.035 213 V CB -0.702 31.046 31.823 -0.126 0.000 0.658 213 V HN 0.330 nan 8.190 nan 0.000 0.452 214 N N -0.239 118.385 118.700 -0.126 0.000 2.061 214 N HA -0.244 4.496 4.740 -0.000 0.000 0.193 214 N C 2.101 177.542 175.510 -0.116 0.000 1.030 214 N CA 1.539 54.523 53.050 -0.110 0.000 0.856 214 N CB -0.008 38.441 38.487 -0.064 0.000 1.023 214 N HN 0.423 nan 8.380 nan 0.000 0.424 215 R N 0.243 120.685 120.500 -0.097 0.000 2.066 215 R HA -0.027 4.313 4.340 -0.000 0.000 0.232 215 R C 2.403 178.633 176.300 -0.118 0.000 1.131 215 R CA 1.207 57.259 56.100 -0.080 0.000 0.955 215 R CB -0.310 29.960 30.300 -0.049 0.000 0.851 215 R HN 0.238 nan 8.270 nan 0.000 0.432 216 A N 1.862 124.581 122.820 -0.167 0.000 1.908 216 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 216 A C 2.148 179.547 177.584 -0.308 0.000 1.181 216 A CA 1.750 53.654 52.037 -0.222 0.000 0.627 216 A CB -0.689 18.159 19.000 -0.253 0.000 0.818 216 A HN 0.509 nan 8.150 nan 0.000 0.445 217 I N -3.059 117.258 120.570 -0.423 0.000 3.684 217 I HA 0.129 4.299 4.170 -0.000 0.000 0.304 217 I C 0.763 176.756 176.117 -0.206 0.000 1.278 217 I CA -0.011 60.947 61.300 -0.570 0.000 1.272 217 I CB -0.356 37.019 38.000 -1.041 0.000 1.029 217 I HN 0.157 nan 8.210 nan 0.000 0.458 218 Q N 3.789 123.511 119.800 -0.130 0.000 2.362 218 Q HA -0.102 4.238 4.340 -0.000 0.000 0.305 218 Q C 0.393 176.397 176.000 0.006 0.000 1.120 218 Q CA 0.929 56.706 55.803 -0.043 0.000 1.011 218 Q CB -0.460 28.257 28.738 -0.036 0.000 1.048 218 Q HN 0.607 nan 8.270 nan 0.000 0.386 219 N N 2.312 121.036 118.700 0.040 0.000 2.741 219 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 219 N C -1.049 174.518 175.510 0.095 0.000 1.115 219 N CA 0.842 53.928 53.050 0.061 0.000 0.724 219 N CB -1.662 36.851 38.487 0.044 0.000 1.090 219 N HN 0.484 nan 8.380 nan 0.000 0.558 220 L N 0.539 121.851 121.223 0.149 0.000 2.317 220 L HA 0.368 4.708 4.340 -0.000 0.000 0.281 220 L C 0.432 177.492 176.870 0.316 0.000 1.024 220 L CA -0.672 54.309 54.840 0.234 0.000 0.810 220 L CB 1.600 43.815 42.059 0.260 0.000 1.240 220 L HN -0.107 nan 8.230 nan 0.000 0.427 221 D N 1.772 122.297 120.400 0.207 0.000 2.232 221 D HA 0.135 4.775 4.640 -0.000 0.000 0.242 221 D C 0.677 176.986 176.300 0.016 0.000 1.093 221 D CA -0.262 53.782 54.000 0.074 0.000 0.845 221 D CB 1.844 42.680 40.800 0.059 0.000 1.124 221 D HN 0.435 nan 8.370 nan 0.000 0.467 222 Q N 2.143 121.711 119.800 -0.386 0.000 2.152 222 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 222 Q C 1.216 177.099 176.000 -0.195 0.000 0.985 222 Q CA 1.720 57.144 55.803 -0.631 0.000 0.863 222 Q CB -0.306 27.794 28.738 -1.063 0.000 0.904 222 Q HN 0.617 nan 8.270 nan 0.000 0.422 223 Y N 0.492 120.716 120.300 -0.127 0.000 2.403 223 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 223 Y C 1.202 177.172 175.900 0.117 0.000 1.143 223 Y CA 0.874 58.956 58.100 -0.030 0.000 1.257 223 Y CB -0.044 38.378 38.460 -0.064 0.000 0.984 223 Y HN 0.171 nan 8.280 nan 0.000 0.550 224 D N -1.430 119.129 120.400 0.264 0.000 2.369 224 D HA 0.065 4.705 4.640 -0.000 0.000 0.211 224 D C 0.059 176.585 176.300 0.377 0.000 1.077 224 D CA 0.347 54.471 54.000 0.206 0.000 0.842 224 D CB 0.249 41.146 40.800 0.163 0.000 0.947 224 D HN 0.104 nan 8.370 nan 0.000 0.509 225 T N 1.600 116.455 114.554 0.502 0.000 2.767 225 T HA 0.380 4.730 4.350 -0.000 0.000 0.284 225 T C -0.165 174.924 174.700 0.648 0.000 0.973 225 T CA -0.561 61.866 62.100 0.546 0.000 0.996 225 T CB 1.861 71.036 68.868 0.511 0.000 0.927 225 T HN -0.107 nan 8.240 nan 0.000 0.456 226 L N 5.020 126.451 121.223 0.347 0.000 2.289 226 L HA 0.649 4.989 4.340 -0.000 0.000 0.285 226 L C -0.865 176.030 176.870 0.042 0.000 1.049 226 L CA -0.394 54.432 54.840 -0.024 0.000 0.804 226 L CB 1.165 42.900 42.059 -0.540 0.000 1.195 226 L HN 0.428 nan 8.230 nan 0.000 0.428 227 V N 6.692 126.651 119.914 0.076 0.000 2.384 227 V HA 0.458 4.578 4.120 -0.000 0.000 0.287 227 V C -0.029 176.069 176.094 0.006 0.000 1.020 227 V CA -0.433 61.906 62.300 0.065 0.000 0.850 227 V CB 1.449 33.372 31.823 0.167 0.000 0.987 227 V HN 0.575 nan 8.190 nan 0.000 0.436 228 I N 6.094 126.630 120.570 -0.058 0.000 2.355 228 I HA 0.477 4.647 4.170 -0.000 0.000 0.288 228 I C -0.555 175.535 176.117 -0.046 0.000 0.999 228 I CA -0.342 60.915 61.300 -0.071 0.000 1.163 228 I CB 1.565 39.477 38.000 -0.146 0.000 1.316 228 I HN 0.441 nan 8.210 nan 0.000 0.454 229 I N 7.457 128.029 120.570 0.005 0.000 2.312 229 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 229 I C -0.325 175.844 176.117 0.086 0.000 1.008 229 I CA -0.284 61.014 61.300 -0.004 0.000 1.226 229 I CB 0.983 38.934 38.000 -0.081 0.000 1.371 229 I HN 0.405 nan 8.210 nan 0.000 0.468 230 I N 5.832 126.416 120.570 0.023 0.000 2.328 230 I HA 0.403 4.573 4.170 -0.000 0.000 0.287 230 I C 0.025 176.192 176.117 0.083 0.000 1.012 230 I CA 0.012 61.343 61.300 0.051 0.000 1.195 230 I CB 1.320 39.307 38.000 -0.021 0.000 1.350 230 I HN 0.520 nan 8.210 nan 0.000 0.464 231 S N 4.909 120.733 115.700 0.208 0.000 2.584 231 S HA 0.221 4.691 4.470 -0.000 0.000 0.282 231 S C 0.372 175.139 174.600 0.279 0.000 1.138 231 S CA -0.785 57.533 58.200 0.197 0.000 0.987 231 S CB 1.128 64.356 63.200 0.048 0.000 1.137 231 S HN 0.653 nan 8.310 nan 0.000 0.457 232 K N 2.713 123.243 120.400 0.218 0.000 2.020 232 K HA -0.103 4.217 4.320 -0.000 0.000 0.212 232 K C 1.962 178.537 176.600 -0.043 0.000 1.050 232 K CA 3.030 59.278 56.287 -0.065 0.000 0.929 232 K CB -0.627 31.711 32.500 -0.270 0.000 0.714 232 K HN 0.766 nan 8.250 nan 0.000 0.443 233 T N -3.381 111.187 114.554 0.023 0.000 3.043 233 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 233 T C 0.755 175.548 174.700 0.156 0.000 1.094 233 T CA 0.487 62.612 62.100 0.042 0.000 1.127 233 T CB -0.313 68.569 68.868 0.023 0.000 0.905 233 T HN 0.250 nan 8.240 nan 0.000 0.490 234 F N 2.031 121.951 119.950 -0.050 0.000 3.034 234 F HA -0.263 4.264 4.527 -0.000 0.000 0.286 234 F C 1.157 176.936 175.800 -0.036 0.000 0.804 234 F CA 0.988 58.950 58.000 -0.063 0.000 1.161 234 F CB -1.874 37.082 39.000 -0.075 0.000 1.317 234 F HN 0.544 nan 8.300 nan 0.000 0.453 235 T N -5.265 109.296 114.554 0.011 0.000 3.016 235 T HA 0.183 4.533 4.350 -0.000 0.000 0.271 235 T C 0.639 175.320 174.700 -0.032 0.000 0.968 235 T CA 0.578 62.675 62.100 -0.006 0.000 0.891 235 T CB -0.037 68.850 68.868 0.031 0.000 1.149 235 T HN 0.143 nan 8.240 nan 0.000 0.524 236 T N 3.108 117.634 114.554 -0.047 0.000 2.750 236 T HA 0.349 4.699 4.350 -0.000 0.000 0.277 236 T C 1.783 176.452 174.700 -0.050 0.000 0.996 236 T CA 0.350 62.427 62.100 -0.038 0.000 1.195 236 T CB 0.518 69.362 68.868 -0.040 0.000 0.963 236 T HN 0.495 nan 8.240 nan 0.000 0.516 237 A N 4.403 127.209 122.820 -0.022 0.000 1.884 237 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 237 A C 2.184 179.753 177.584 -0.025 0.000 1.197 237 A CA 1.940 53.968 52.037 -0.015 0.000 0.637 237 A CB -0.533 18.469 19.000 0.004 0.000 0.827 237 A HN 0.798 nan 8.150 nan 0.000 0.450 238 E N -0.774 119.410 120.200 -0.026 0.000 2.028 238 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 238 E C 2.192 178.756 176.600 -0.059 0.000 0.988 238 E CA 1.698 58.078 56.400 -0.033 0.000 0.799 238 E CB -0.732 28.953 29.700 -0.025 0.000 0.755 238 E HN 0.596 nan 8.360 nan 0.000 0.447 239 T N 1.102 115.609 114.554 -0.079 0.000 2.684 239 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 239 T C 1.672 176.269 174.700 -0.172 0.000 1.036 239 T CA 1.506 63.532 62.100 -0.123 0.000 1.148 239 T CB -0.132 68.657 68.868 -0.131 0.000 0.863 239 T HN 0.044 nan 8.240 nan 0.000 0.436 240 M N 0.548 120.038 119.600 -0.184 0.000 2.175 240 M HA 0.147 4.627 4.480 -0.000 0.000 0.264 240 M C 2.258 178.521 176.300 -0.062 0.000 1.063 240 M CA 0.823 56.004 55.300 -0.199 0.000 1.119 240 M CB -1.513 30.967 32.600 -0.200 0.000 1.377 240 M HN 0.196 nan 8.290 nan 0.000 0.415 241 L N 1.188 122.390 121.223 -0.035 0.000 2.056 241 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 241 L C 1.960 178.832 176.870 0.003 0.000 1.078 241 L CA 1.814 56.656 54.840 0.002 0.000 0.749 241 L CB -0.900 41.161 42.059 0.004 0.000 0.901 241 L HN 0.237 nan 8.230 nan 0.000 0.433 242 N N 0.050 118.732 118.700 -0.031 0.000 2.188 242 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 242 N C 1.829 177.335 175.510 -0.007 0.000 1.018 242 N CA 1.425 54.453 53.050 -0.035 0.000 0.858 242 N CB -0.331 38.114 38.487 -0.071 0.000 0.989 242 N HN 0.518 nan 8.380 nan 0.000 0.426 243 A N 1.553 124.356 122.820 -0.027 0.000 1.877 243 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 243 A C 2.249 180.008 177.584 0.291 0.000 1.186 243 A CA 1.178 53.236 52.037 0.036 0.000 0.620 243 A CB -0.423 18.418 19.000 -0.264 0.000 0.822 243 A HN 0.235 nan 8.150 nan 0.000 0.443 244 R N -0.240 120.416 120.500 0.261 0.000 2.096 244 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 244 R C 2.506 178.883 176.300 0.128 0.000 1.127 244 R CA 1.561 57.789 56.100 0.214 0.000 0.968 244 R CB -0.372 30.010 30.300 0.137 0.000 0.861 244 R HN 0.528 nan 8.270 nan 0.000 0.440 245 S N 0.783 116.541 115.700 0.097 0.000 2.368 245 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 245 S C 1.910 176.585 174.600 0.125 0.000 1.029 245 S CA 0.830 59.078 58.200 0.079 0.000 0.988 245 S CB -0.051 63.169 63.200 0.033 0.000 0.838 245 S HN 0.168 nan 8.310 nan 0.000 0.462 246 I N 1.804 122.454 120.570 0.133 0.000 2.439 246 I HA -0.058 4.112 4.170 -0.000 0.000 0.251 246 I C 2.331 178.633 176.117 0.308 0.000 1.139 246 I CA 1.166 62.592 61.300 0.209 0.000 1.438 246 I CB -0.922 37.150 38.000 0.119 0.000 1.085 246 I HN 0.309 nan 8.210 nan 0.000 0.427 247 K N 1.128 121.673 120.400 0.241 0.000 2.097 247 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 247 K C 2.091 178.751 176.600 0.100 0.000 1.050 247 K CA 1.024 57.415 56.287 0.173 0.000 0.938 247 K CB 0.178 32.736 32.500 0.096 0.000 0.718 247 K HN 0.081 nan 8.250 nan 0.000 0.442 248 K N -0.032 120.430 120.400 0.103 0.000 2.057 248 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 248 K C 1.821 178.487 176.600 0.109 0.000 1.049 248 K CA 1.434 57.765 56.287 0.074 0.000 0.931 248 K CB -0.447 32.095 32.500 0.070 0.000 0.714 248 K HN 0.373 nan 8.250 nan 0.000 0.440 249 W N 2.061 123.350 121.300 -0.018 0.000 2.355 249 W HA -0.139 4.521 4.660 0.000 0.000 0.309 249 W C 1.725 178.215 176.519 -0.049 0.000 1.206 249 W CA 1.146 58.472 57.345 -0.031 0.000 1.284 249 W CB -0.430 29.017 29.460 -0.021 0.000 1.145 249 W HN -0.076 nan 8.180 nan 0.000 0.502 250 L N 0.319 121.504 121.223 -0.063 0.000 2.042 250 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 250 L C 2.438 179.128 176.870 -0.301 0.000 1.076 250 L CA 1.803 56.455 54.840 -0.312 0.000 0.749 250 L CB -1.089 40.946 42.059 -0.041 0.000 0.893 250 L HN -0.126 nan 8.230 nan 0.000 0.432 251 S N -0.164 115.444 115.700 -0.153 0.000 2.547 251 S HA -0.014 4.456 4.470 -0.000 0.000 0.235 251 S C 1.842 176.353 174.600 -0.148 0.000 0.980 251 S CA 0.577 58.702 58.200 -0.124 0.000 0.941 251 S CB -0.165 62.995 63.200 -0.067 0.000 0.763 251 S HN 0.312 nan 8.310 nan 0.000 0.532 252 L N 0.379 121.476 121.223 -0.210 0.000 2.201 252 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 252 L C 2.295 179.022 176.870 -0.238 0.000 1.105 252 L CA 1.065 55.785 54.840 -0.201 0.000 0.775 252 L CB -0.186 41.738 42.059 -0.226 0.000 0.913 252 L HN 0.215 nan 8.230 nan 0.000 0.440 253 K N -0.545 119.653 120.400 -0.337 0.000 2.443 253 K HA 0.314 4.634 4.320 -0.000 0.000 0.200 253 K C 0.559 177.060 176.600 -0.166 0.000 1.278 253 K CA 0.161 56.233 56.287 -0.358 0.000 0.925 253 K CB 1.028 33.036 32.500 -0.820 0.000 1.225 253 K HN 0.131 nan 8.250 nan 0.000 0.514 254 I N 3.326 123.783 120.570 -0.187 0.000 2.313 254 I HA 0.126 4.296 4.170 -0.000 0.000 0.286 254 I C 0.947 177.024 176.117 -0.066 0.000 1.091 254 I CA -0.175 61.076 61.300 -0.080 0.000 1.216 254 I CB 0.819 38.714 38.000 -0.175 0.000 1.434 254 I HN -0.088 nan 8.210 nan 0.000 0.487 255 K N 2.732 123.113 120.400 -0.032 0.000 2.323 255 K HA 0.068 4.388 4.320 -0.000 0.000 0.197 255 K C 0.608 177.198 176.600 -0.017 0.000 1.043 255 K CA 0.377 56.645 56.287 -0.031 0.000 0.997 255 K CB -0.018 32.467 32.500 -0.025 0.000 0.807 255 K HN 0.705 nan 8.250 nan 0.000 0.497 256 D N 2.036 122.434 120.400 -0.004 0.000 2.225 256 D HA 0.079 4.719 4.640 -0.000 0.000 0.248 256 D C 0.394 176.703 176.300 0.016 0.000 1.096 256 D CA -0.550 53.453 54.000 0.005 0.000 0.863 256 D CB 0.706 41.512 40.800 0.011 0.000 1.156 256 D HN -0.100 nan 8.370 nan 0.000 0.450 257 D N 0.526 120.935 120.400 0.014 0.000 2.149 257 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 257 D C 1.774 178.102 176.300 0.047 0.000 0.990 257 D CA 1.383 55.397 54.000 0.023 0.000 0.839 257 D CB 0.076 40.884 40.800 0.014 0.000 0.948 257 D HN 0.680 nan 8.370 nan 0.000 0.460 258 E N 0.466 120.693 120.200 0.046 0.000 2.107 258 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 258 E C 1.646 178.301 176.600 0.091 0.000 0.982 258 E CA 0.784 57.221 56.400 0.061 0.000 0.809 258 E CB 0.035 29.762 29.700 0.046 0.000 0.756 258 E HN 0.075 nan 8.360 nan 0.000 0.459 259 N N -0.084 118.668 118.700 0.087 0.000 2.171 259 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 259 N C 1.560 177.185 175.510 0.193 0.000 1.021 259 N CA 0.569 53.695 53.050 0.128 0.000 0.854 259 N CB -0.328 38.205 38.487 0.076 0.000 0.994 259 N HN 0.160 nan 8.380 nan 0.000 0.426 260 L N 1.397 122.693 121.223 0.122 0.000 2.079 260 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 260 L C 2.265 179.261 176.870 0.211 0.000 1.081 260 L CA 1.461 56.380 54.840 0.132 0.000 0.752 260 L CB -0.997 41.100 42.059 0.063 0.000 0.896 260 L HN 0.227 nan 8.230 nan 0.000 0.433 261 S N -1.549 114.255 115.700 0.174 0.000 2.474 261 S HA -0.181 4.289 4.470 -0.000 0.000 0.235 261 S C 1.892 176.617 174.600 0.208 0.000 0.997 261 S CA 0.862 59.164 58.200 0.170 0.000 0.949 261 S CB -0.452 62.819 63.200 0.118 0.000 0.766 261 S HN 0.530 nan 8.310 nan 0.000 0.517 262 K N 0.040 120.603 120.400 0.271 0.000 2.217 262 K HA 0.043 4.363 4.320 -0.000 0.000 0.202 262 K C 1.496 178.285 176.600 0.316 0.000 1.051 262 K CA 1.066 57.531 56.287 0.295 0.000 0.952 262 K CB -0.194 32.487 32.500 0.302 0.000 0.736 262 K HN 0.613 nan 8.250 nan 0.000 0.453 263 H N -0.756 118.495 119.070 0.301 0.000 2.586 263 H HA 0.244 4.800 4.556 -0.000 0.000 0.273 263 H C 0.028 175.464 175.328 0.181 0.000 0.997 263 H CA 0.161 56.399 56.048 0.316 0.000 1.177 263 H CB 0.444 30.397 29.762 0.318 0.000 1.471 263 H HN 0.060 nan 8.280 nan 0.000 0.538 264 M N 1.415 121.160 119.600 0.241 0.000 2.326 264 M HA 0.330 4.810 4.480 -0.000 0.000 0.306 264 M C -0.690 175.679 176.300 0.116 0.000 1.054 264 M CA -0.861 54.555 55.300 0.192 0.000 0.922 264 M CB 3.430 36.191 32.600 0.268 0.000 1.632 264 M HN -0.132 nan 8.290 nan 0.000 0.436 265 V N 0.893 120.846 119.914 0.066 0.000 2.962 265 V HA 1.059 5.179 4.120 -0.000 0.000 0.313 265 V C -1.449 174.669 176.094 0.040 0.000 1.099 265 V CA -0.372 61.941 62.300 0.020 0.000 0.971 265 V CB 1.968 33.755 31.823 -0.060 0.000 1.028 265 V HN 0.999 nan 8.190 nan 0.000 0.430 266 A N 3.646 126.481 122.820 0.026 0.000 2.401 266 A HA 0.878 5.198 4.320 -0.000 0.000 0.310 266 A C -1.021 176.594 177.584 0.051 0.000 1.075 266 A CA -0.645 51.405 52.037 0.021 0.000 0.746 266 A CB 2.137 20.995 19.000 -0.237 0.000 1.277 266 A HN 1.501 nan 8.150 nan 0.000 0.425 267 V N 1.906 121.867 119.914 0.079 0.000 2.304 267 V HA 0.691 4.811 4.120 -0.000 0.000 0.278 267 V C 0.083 176.294 176.094 0.196 0.000 1.018 267 V CA 0.096 62.448 62.300 0.087 0.000 0.814 267 V CB 0.394 32.187 31.823 -0.049 0.000 1.021 267 V HN 1.038 nan 8.190 nan 0.000 0.440 268 S N 2.748 118.516 115.700 0.115 0.000 2.615 268 S HA 0.480 4.950 4.470 -0.000 0.000 0.268 268 S C 0.532 175.035 174.600 -0.162 0.000 1.146 268 S CA 0.320 58.535 58.200 0.024 0.000 0.818 268 S CB 2.182 65.305 63.200 -0.128 0.000 1.111 268 S HN 0.817 nan 8.310 nan 0.000 0.465 269 T N -0.602 113.808 114.554 -0.240 0.000 3.040 269 T HA 0.309 4.659 4.350 -0.000 0.000 0.266 269 T C 0.266 174.855 174.700 -0.185 0.000 1.005 269 T CA -0.121 61.825 62.100 -0.256 0.000 0.906 269 T CB -0.296 68.372 68.868 -0.334 0.000 1.082 269 T HN 0.371 nan 8.240 nan 0.000 0.531 270 N N 2.118 120.719 118.700 -0.164 0.000 2.663 270 N HA 0.245 4.985 4.740 -0.000 0.000 0.250 270 N C 0.908 176.319 175.510 -0.165 0.000 1.129 270 N CA -0.300 52.681 53.050 -0.115 0.000 0.995 270 N CB 0.034 38.504 38.487 -0.028 0.000 1.324 270 N HN 0.410 nan 8.380 nan 0.000 0.512 271 L N 1.897 123.037 121.223 -0.139 0.000 2.201 271 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 271 L C 2.377 179.191 176.870 -0.094 0.000 1.105 271 L CA 0.830 55.587 54.840 -0.139 0.000 0.775 271 L CB -0.157 41.835 42.059 -0.111 0.000 0.913 271 L HN 0.473 nan 8.230 nan 0.000 0.440 272 K N 1.050 121.418 120.400 -0.054 0.000 2.026 272 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 272 K C 2.095 178.704 176.600 0.014 0.000 1.048 272 K CA 1.321 57.600 56.287 -0.014 0.000 0.929 272 K CB -0.008 32.493 32.500 0.002 0.000 0.713 272 K HN 0.272 nan 8.250 nan 0.000 0.439 273 L N 0.860 122.099 121.223 0.026 0.000 2.179 273 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 273 L C 2.667 179.615 176.870 0.129 0.000 1.096 273 L CA 1.496 56.415 54.840 0.133 0.000 0.779 273 L CB -0.735 41.462 42.059 0.231 0.000 0.922 273 L HN 0.443 nan 8.230 nan 0.000 0.443 274 T N -3.733 110.700 114.554 -0.201 0.000 2.746 274 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 274 T C 1.505 176.197 174.700 -0.013 0.000 1.039 274 T CA 1.541 63.433 62.100 -0.347 0.000 1.142 274 T CB -0.352 68.144 68.868 -0.620 0.000 0.866 274 T HN 0.173 nan 8.240 nan 0.000 0.444 275 D N 1.192 121.581 120.400 -0.018 0.000 2.117 275 D HA -0.065 4.575 4.640 -0.000 0.000 0.197 275 D C 2.282 178.628 176.300 0.076 0.000 0.987 275 D CA 1.023 55.036 54.000 0.023 0.000 0.829 275 D CB -0.235 40.563 40.800 -0.003 0.000 0.961 275 D HN 0.579 nan 8.370 nan 0.000 0.460 276 E N -1.148 119.114 120.200 0.104 0.000 2.153 276 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 276 E C 1.579 178.271 176.600 0.153 0.000 0.988 276 E CA 0.450 56.919 56.400 0.116 0.000 0.811 276 E CB -0.158 29.619 29.700 0.129 0.000 0.746 276 E HN 0.327 nan 8.360 nan 0.000 0.466 277 F N -0.230 119.788 119.950 0.114 0.000 2.502 277 F HA 0.026 4.553 4.527 -0.000 0.000 0.298 277 F C 1.396 177.260 175.800 0.106 0.000 1.111 277 F CA 1.346 59.437 58.000 0.152 0.000 1.445 277 F CB 0.474 39.669 39.000 0.325 0.000 1.081 277 F HN 0.106 nan 8.300 nan 0.000 0.558 278 G N 1.046 109.947 108.800 0.169 0.000 2.130 278 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 278 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 278 G C 0.106 175.093 174.900 0.146 0.000 0.999 278 G CA 0.000 45.160 45.100 0.099 0.000 0.686 278 G HN 0.295 nan 8.290 nan 0.000 0.515 279 I N 1.690 122.366 120.570 0.177 0.000 2.365 279 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 279 I C 1.219 177.357 176.117 0.034 0.000 1.004 279 I CA -0.337 61.034 61.300 0.118 0.000 1.311 279 I CB 1.617 39.673 38.000 0.094 0.000 1.401 279 I HN 0.192 nan 8.210 nan 0.000 0.491 280 S N 5.306 121.022 115.700 0.027 0.000 2.568 280 S HA 0.105 4.575 4.470 -0.000 0.000 0.282 280 S C 1.502 176.064 174.600 -0.064 0.000 1.338 280 S CA -0.371 57.827 58.200 -0.004 0.000 1.045 280 S CB 0.643 63.854 63.200 0.018 0.000 0.873 280 S HN 0.521 nan 8.310 nan 0.000 0.516 281 R N 2.173 122.630 120.500 -0.073 0.000 2.120 281 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 281 R C 1.016 177.211 176.300 -0.176 0.000 1.123 281 R CA 1.374 57.404 56.100 -0.117 0.000 0.975 281 R CB -0.814 29.434 30.300 -0.087 0.000 0.866 281 R HN 0.691 nan 8.270 nan 0.000 0.446 282 D N 0.161 120.474 120.400 -0.144 0.000 2.348 282 D HA -0.057 4.583 4.640 -0.000 0.000 0.216 282 D C 0.423 176.525 176.300 -0.330 0.000 0.970 282 D CA 0.684 54.569 54.000 -0.191 0.000 0.889 282 D CB -0.097 40.663 40.800 -0.067 0.000 0.912 282 D HN 0.094 nan 8.370 nan 0.000 0.524 283 N N -0.269 118.266 118.700 -0.275 0.000 2.273 283 N HA 0.071 4.811 4.740 -0.000 0.000 0.231 283 N C -0.822 174.516 175.510 -0.287 0.000 1.134 283 N CA 0.011 52.894 53.050 -0.279 0.000 0.856 283 N CB 1.192 39.627 38.487 -0.087 0.000 1.068 283 N HN -0.095 nan 8.380 nan 0.000 0.510 284 V N 1.427 121.061 119.914 -0.466 0.000 2.357 284 V HA 0.446 4.566 4.120 -0.000 0.000 0.284 284 V C -0.700 175.076 176.094 -0.530 0.000 1.018 284 V CA -0.729 61.363 62.300 -0.347 0.000 0.841 284 V CB 0.728 32.382 31.823 -0.282 0.000 0.991 284 V HN -0.040 nan 8.190 nan 0.000 0.437 285 F N 3.304 123.143 119.950 -0.184 0.000 2.426 285 F HA 0.474 5.001 4.527 -0.000 0.000 0.348 285 F C 0.649 176.361 175.800 -0.147 0.000 1.124 285 F CA -0.693 57.213 58.000 -0.157 0.000 1.008 285 F CB 1.389 40.288 39.000 -0.168 0.000 1.139 285 F HN 0.633 nan 8.300 nan 0.000 0.452 286 E N 4.001 124.155 120.200 -0.077 0.000 2.318 286 E HA 0.596 4.946 4.350 -0.000 0.000 0.265 286 E C -1.315 174.964 176.600 -0.535 0.000 1.069 286 E CA -0.470 55.766 56.400 -0.273 0.000 0.893 286 E CB 1.579 31.090 29.700 -0.315 0.000 1.076 286 E HN 0.449 nan 8.360 nan 0.000 0.414 287 F N -0.852 118.437 119.950 -1.101 0.000 2.715 287 F HA 0.675 5.202 4.527 -0.000 0.000 0.318 287 F C -1.600 173.275 175.800 -1.542 0.000 1.141 287 F CA -1.424 55.696 58.000 -1.466 0.000 0.950 287 F CB 0.972 39.586 39.000 -0.645 0.000 1.374 287 F HN 0.394 nan 8.300 nan 0.000 0.477 288 W N 1.280 122.260 121.300 -0.532 0.000 2.799 288 W HA 0.224 4.884 4.660 -0.000 0.000 0.349 288 W C 0.360 176.424 176.519 -0.758 0.000 1.100 288 W CA -0.226 56.608 57.345 -0.853 0.000 1.174 288 W CB 1.575 30.141 29.460 -1.491 0.000 1.427 288 W HN 0.756 nan 8.180 nan 0.000 0.547 289 D N -0.402 119.768 120.400 -0.384 0.000 2.263 289 D HA -0.213 4.427 4.640 -0.000 0.000 0.208 289 D C 1.488 177.777 176.300 -0.019 0.000 0.971 289 D CA 1.202 55.092 54.000 -0.184 0.000 0.867 289 D CB -0.575 40.179 40.800 -0.077 0.000 0.929 289 D HN 0.558 nan 8.370 nan 0.000 0.492 290 W N 0.630 122.014 121.300 0.140 0.000 3.180 290 W HA 0.331 4.991 4.660 -0.000 0.000 0.254 290 W C -0.593 176.010 176.519 0.141 0.000 1.318 290 W CA -0.623 56.777 57.345 0.092 0.000 1.608 290 W CB -0.403 29.079 29.460 0.038 0.000 1.124 290 W HN -0.255 nan 8.180 nan 0.000 0.694 291 V N 2.476 122.539 119.914 0.248 0.000 2.311 291 V HA 0.476 4.596 4.120 -0.000 0.000 0.275 291 V C 0.902 177.185 176.094 0.315 0.000 1.022 291 V CA -0.664 61.843 62.300 0.347 0.000 0.830 291 V CB 0.411 32.436 31.823 0.337 0.000 1.012 291 V HN 0.122 nan 8.190 nan 0.000 0.452 292 G N 3.116 112.139 108.800 0.373 0.000 2.442 292 G HA2 0.414 4.374 3.960 -0.000 0.000 0.249 292 G HA3 0.414 4.374 3.960 -0.000 0.000 0.249 292 G C 1.115 176.214 174.900 0.331 0.000 1.263 292 G CA 0.203 45.529 45.100 0.377 0.000 0.846 292 G HN 0.885 nan 8.290 nan 0.000 0.555 293 G N 1.941 110.872 108.800 0.218 0.000 2.529 293 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.219 293 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.219 293 G C 1.731 176.667 174.900 0.060 0.000 1.177 293 G CA 1.074 46.255 45.100 0.135 0.000 0.773 293 G HN 0.796 nan 8.290 nan 0.000 0.573 294 R N -0.585 119.906 120.500 -0.015 0.000 2.328 294 R HA 0.152 4.492 4.340 -0.000 0.000 0.207 294 R C 0.897 176.996 176.300 -0.335 0.000 1.056 294 R CA 0.818 56.795 56.100 -0.206 0.000 1.016 294 R CB -0.353 29.719 30.300 -0.381 0.000 0.872 294 R HN 0.410 nan 8.270 nan 0.000 0.471 295 F N 0.998 120.962 119.950 0.024 0.000 2.698 295 F HA 0.213 4.740 4.527 -0.000 0.000 0.304 295 F C 1.671 177.518 175.800 0.079 0.000 1.108 295 F CA -0.242 57.739 58.000 -0.031 0.000 1.263 295 F CB 1.025 39.870 39.000 -0.258 0.000 1.013 295 F HN 0.077 nan 8.300 nan 0.000 0.532 296 S N -1.400 114.407 115.700 0.178 0.000 2.528 296 S HA -0.047 4.423 4.470 -0.000 0.000 0.219 296 S C 1.992 176.601 174.600 0.015 0.000 0.985 296 S CA 0.705 58.959 58.200 0.089 0.000 0.914 296 S CB -0.404 62.781 63.200 -0.024 0.000 0.776 296 S HN 0.191 nan 8.310 nan 0.000 0.526 297 V N 3.535 123.468 119.914 0.032 0.000 2.453 297 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 297 V C 2.615 178.763 176.094 0.090 0.000 1.068 297 V CA 2.504 64.807 62.300 0.005 0.000 1.070 297 V CB -1.164 30.635 31.823 -0.040 0.000 0.664 297 V HN 0.904 nan 8.190 nan 0.000 0.461 298 T N -2.018 112.658 114.554 0.204 0.000 3.148 298 T HA 0.119 4.469 4.350 -0.000 0.000 0.253 298 T C 0.887 175.711 174.700 0.205 0.000 1.134 298 T CA 0.554 62.810 62.100 0.260 0.000 1.051 298 T CB -0.335 68.724 68.868 0.319 0.000 0.959 298 T HN 0.708 nan 8.240 nan 0.000 0.525 299 S N 1.254 117.035 115.700 0.134 0.000 2.690 299 S HA 0.401 4.871 4.470 -0.000 0.000 0.285 299 S C 1.749 176.338 174.600 -0.018 0.000 1.135 299 S CA -0.066 58.198 58.200 0.107 0.000 1.020 299 S CB 1.096 64.326 63.200 0.050 0.000 1.159 299 S HN 0.354 nan 8.310 nan 0.000 0.534 300 S N 0.100 115.760 115.700 -0.066 0.000 2.420 300 S HA -0.145 4.325 4.470 -0.000 0.000 0.237 300 S C 1.813 176.267 174.600 -0.244 0.000 1.023 300 S CA 1.274 59.399 58.200 -0.126 0.000 0.991 300 S CB -1.354 61.805 63.200 -0.068 0.000 0.792 300 S HN 0.605 nan 8.310 nan 0.000 0.488 301 V N 2.089 121.775 119.914 -0.381 0.000 2.250 301 V HA -0.205 3.915 4.120 -0.000 0.000 0.253 301 V C 2.729 178.691 176.094 -0.220 0.000 1.065 301 V CA 2.257 64.326 62.300 -0.385 0.000 1.039 301 V CB -1.484 30.041 31.823 -0.497 0.000 0.647 301 V HN 0.706 nan 8.190 nan 0.000 0.446 302 G N -1.325 107.374 108.800 -0.169 0.000 2.651 302 G HA2 0.014 3.974 3.960 -0.000 0.000 0.207 302 G HA3 0.014 3.974 3.960 -0.000 0.000 0.207 302 G C 1.340 176.158 174.900 -0.137 0.000 1.131 302 G CA 0.266 45.285 45.100 -0.136 0.000 0.816 302 G HN 0.334 nan 8.290 nan 0.000 0.534 303 I N 1.102 121.616 120.570 -0.093 0.000 2.286 303 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 303 I C 2.541 178.592 176.117 -0.110 0.000 1.115 303 I CA 0.746 62.014 61.300 -0.053 0.000 1.392 303 I CB -1.012 37.024 38.000 0.061 0.000 1.065 303 I HN 0.159 nan 8.210 nan 0.000 0.418 304 L N 2.629 123.727 121.223 -0.208 0.000 1.988 304 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 304 L C -0.433 176.251 176.870 -0.310 0.000 1.071 304 L CA 2.249 56.886 54.840 -0.338 0.000 0.744 304 L CB -1.985 39.711 42.059 -0.606 0.000 0.893 304 L HN 0.056 nan 8.230 nan 0.000 0.433 305 P HA -0.165 nan 4.420 nan 0.000 0.218 305 P C 2.067 179.148 177.300 -0.364 0.000 1.149 305 P CA 1.644 64.547 63.100 -0.329 0.000 0.817 305 P CB -0.032 31.503 31.700 -0.275 0.000 0.785 306 L N -0.643 120.411 121.223 -0.282 0.000 2.156 306 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 306 L C 2.591 179.287 176.870 -0.290 0.000 1.095 306 L CA 1.235 55.893 54.840 -0.303 0.000 0.770 306 L CB -0.946 41.024 42.059 -0.148 0.000 0.914 306 L HN -0.051 nan 8.230 nan 0.000 0.439 307 S N -0.122 115.462 115.700 -0.195 0.000 2.406 307 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 307 S C 1.956 176.432 174.600 -0.207 0.000 1.020 307 S CA 0.850 58.981 58.200 -0.115 0.000 0.965 307 S CB -0.106 63.118 63.200 0.041 0.000 0.798 307 S HN 0.268 nan 8.310 nan 0.000 0.488 308 I N 1.608 121.973 120.570 -0.340 0.000 2.202 308 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 308 I C 2.678 178.363 176.117 -0.720 0.000 1.091 308 I CA 1.152 62.134 61.300 -0.530 0.000 1.368 308 I CB -0.419 37.208 38.000 -0.622 0.000 1.058 308 I HN 0.262 nan 8.210 nan 0.000 0.410 309 A N 0.401 122.793 122.820 -0.713 0.000 1.898 309 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 309 A C 1.718 178.933 177.584 -0.616 0.000 1.181 309 A CA 1.714 53.337 52.037 -0.690 0.000 0.620 309 A CB -0.482 17.914 19.000 -1.006 0.000 0.819 309 A HN 0.435 nan 8.150 nan 0.000 0.442 310 F N -1.530 118.183 119.950 -0.395 0.000 2.746 310 F HA 0.467 4.994 4.527 -0.000 0.000 0.313 310 F C 1.150 176.725 175.800 -0.374 0.000 1.095 310 F CA -0.219 57.361 58.000 -0.700 0.000 1.224 310 F CB -0.222 38.489 39.000 -0.481 0.000 1.060 310 F HN 0.399 nan 8.300 nan 0.000 0.584 311 G N 0.162 108.928 108.800 -0.057 0.000 2.785 311 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.686 311 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.686 311 G C 0.036 174.929 174.900 -0.012 0.000 1.155 311 G CA -0.328 44.780 45.100 0.014 0.000 0.760 311 G HN 0.163 nan 8.290 nan 0.000 0.624 312 Y N 1.508 121.781 120.300 -0.045 0.000 2.165 312 Y HA -0.152 4.398 4.550 -0.000 0.000 0.286 312 Y C 2.809 178.692 175.900 -0.028 0.000 1.155 312 Y CA 2.765 60.848 58.100 -0.028 0.000 1.164 312 Y CB -0.085 38.379 38.460 0.007 0.000 0.978 312 Y HN 0.677 nan 8.280 nan 0.000 0.513 313 K N -0.159 120.221 120.400 -0.033 0.000 2.074 313 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 313 K C 1.814 178.283 176.600 -0.217 0.000 1.048 313 K CA 1.589 57.826 56.287 -0.084 0.000 0.926 313 K CB -0.257 32.248 32.500 0.008 0.000 0.713 313 K HN 0.398 nan 8.250 nan 0.000 0.444 314 N N 0.323 118.818 118.700 -0.341 0.000 2.142 314 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 314 N C 1.687 176.861 175.510 -0.560 0.000 1.023 314 N CA 1.159 53.774 53.050 -0.724 0.000 0.852 314 N CB -0.104 37.534 38.487 -1.415 0.000 0.998 314 N HN 0.126 nan 8.380 nan 0.000 0.424 315 M N 0.554 119.915 119.600 -0.399 0.000 2.229 315 M HA -0.034 4.446 4.480 -0.000 0.000 0.264 315 M C 2.033 178.228 176.300 -0.176 0.000 1.063 315 M CA 0.875 56.054 55.300 -0.202 0.000 1.114 315 M CB -0.984 31.501 32.600 -0.193 0.000 1.387 315 M HN 0.133 nan 8.290 nan 0.000 0.420 316 R N 0.350 120.602 120.500 -0.413 0.000 2.092 316 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 316 R C 1.816 178.115 176.300 -0.002 0.000 1.119 316 R CA 1.280 57.223 56.100 -0.261 0.000 0.970 316 R CB 0.029 30.146 30.300 -0.305 0.000 0.864 316 R HN 0.326 nan 8.270 nan 0.000 0.440 317 N N 0.139 118.858 118.700 0.032 0.000 2.188 317 N HA -0.180 4.560 4.740 -0.000 0.000 0.184 317 N C 1.418 177.088 175.510 0.268 0.000 1.018 317 N CA 1.132 54.291 53.050 0.182 0.000 0.858 317 N CB -0.405 38.193 38.487 0.185 0.000 0.989 317 N HN 0.189 nan 8.380 nan 0.000 0.426 318 F N 1.806 121.825 119.950 0.115 0.000 2.095 318 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 318 F C 2.044 177.892 175.800 0.079 0.000 1.104 318 F CA 1.114 59.182 58.000 0.114 0.000 1.232 318 F CB -0.337 38.744 39.000 0.135 0.000 0.987 318 F HN -0.068 nan 8.300 nan 0.000 0.475 319 L N 0.237 121.559 121.223 0.166 0.000 2.083 319 L HA -0.272 4.068 4.340 -0.000 0.000 0.209 319 L C 2.173 179.095 176.870 0.087 0.000 1.083 319 L CA 1.296 56.195 54.840 0.098 0.000 0.752 319 L CB -0.904 41.244 42.059 0.147 0.000 0.899 319 L HN 0.183 nan 8.230 nan 0.000 0.433 320 N N 0.416 119.201 118.700 0.141 0.000 2.166 320 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 320 N C 1.855 177.473 175.510 0.180 0.000 1.019 320 N CA 1.465 54.663 53.050 0.245 0.000 0.856 320 N CB -0.700 37.983 38.487 0.327 0.000 0.993 320 N HN 0.350 nan 8.380 nan 0.000 0.426 321 G N 0.531 109.246 108.800 -0.141 0.000 2.421 321 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 321 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 321 G C 1.865 176.604 174.900 -0.269 0.000 1.171 321 G CA 1.050 45.758 45.100 -0.653 0.000 0.775 321 G HN 0.367 nan 8.290 nan 0.000 0.543 322 C N -0.213 118.954 119.300 -0.222 0.000 2.413 322 C HA -0.066 4.394 4.460 -0.000 0.000 0.276 322 C C 2.548 177.613 174.990 0.125 0.000 1.236 322 C CA 1.081 60.059 59.018 -0.068 0.000 1.735 322 C CB -1.236 26.454 27.740 -0.083 0.000 2.031 322 C HN 0.681 nan 8.230 nan 0.000 0.474 323 H N 1.257 120.376 119.070 0.082 0.000 2.319 323 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 323 H C 1.734 177.197 175.328 0.224 0.000 1.092 323 H CA 2.175 58.321 56.048 0.162 0.000 1.302 323 H CB -0.426 29.424 29.762 0.147 0.000 1.373 323 H HN 0.388 nan 8.280 nan 0.000 0.497 324 D N -0.342 120.155 120.400 0.163 0.000 2.144 324 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 324 D C 2.187 178.678 176.300 0.320 0.000 0.984 324 D CA 1.250 55.395 54.000 0.242 0.000 0.834 324 D CB -0.355 40.687 40.800 0.402 0.000 0.955 324 D HN 0.387 nan 8.370 nan 0.000 0.465 325 M N 0.961 120.724 119.600 0.271 0.000 2.175 325 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 325 M C 0.973 177.418 176.300 0.241 0.000 1.063 325 M CA 1.403 56.837 55.300 0.223 0.000 1.119 325 M CB -0.220 32.502 32.600 0.203 0.000 1.377 325 M HN -0.238 nan 8.290 nan 0.000 0.415 326 D N 0.287 120.848 120.400 0.268 0.000 2.104 326 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 326 D C 1.949 178.439 176.300 0.317 0.000 0.994 326 D CA 1.389 55.655 54.000 0.444 0.000 0.830 326 D CB -0.330 40.740 40.800 0.450 0.000 0.959 326 D HN 0.442 nan 8.370 nan 0.000 0.452 327 E N -0.082 120.191 120.200 0.122 0.000 2.110 327 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 327 E C 2.050 178.713 176.600 0.105 0.000 0.988 327 E CA 0.851 57.304 56.400 0.089 0.000 0.804 327 E CB -0.377 29.361 29.700 0.063 0.000 0.745 327 E HN 0.518 nan 8.360 nan 0.000 0.458 328 H N 0.176 119.247 119.070 0.001 0.000 2.321 328 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 328 H C 1.893 177.188 175.328 -0.056 0.000 1.087 328 H CA 1.748 57.711 56.048 -0.141 0.000 1.319 328 H CB -0.411 28.954 29.762 -0.661 0.000 1.379 328 H HN 0.101 nan 8.280 nan 0.000 0.501 329 F N 0.492 120.336 119.950 -0.175 0.000 2.126 329 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 329 F C 2.165 177.772 175.800 -0.322 0.000 1.096 329 F CA 1.512 59.410 58.000 -0.169 0.000 1.255 329 F CB -0.907 38.142 39.000 0.083 0.000 0.997 329 F HN 0.348 nan 8.300 nan 0.000 0.479 330 L N -0.208 120.642 121.223 -0.622 0.000 2.044 330 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 330 L C 2.482 178.865 176.870 -0.811 0.000 1.075 330 L CA 2.005 56.192 54.840 -1.088 0.000 0.747 330 L CB -1.060 40.045 42.059 -1.589 0.000 0.903 330 L HN 0.180 nan 8.230 nan 0.000 0.435 331 H N -0.402 118.453 119.070 -0.358 0.000 2.486 331 H HA 0.366 4.922 4.556 -0.000 0.000 0.287 331 H C 1.040 176.224 175.328 -0.239 0.000 1.010 331 H CA 0.429 56.324 56.048 -0.255 0.000 1.324 331 H CB -0.393 29.271 29.762 -0.162 0.000 1.446 331 H HN 0.384 nan 8.280 nan 0.000 0.537 332 A N 2.383 125.067 122.820 -0.225 0.000 2.540 332 A HA -0.009 4.311 4.320 -0.000 0.000 0.239 332 A C -0.049 177.423 177.584 -0.187 0.000 1.061 332 A CA -0.274 51.613 52.037 -0.249 0.000 0.758 332 A CB 0.058 18.726 19.000 -0.554 0.000 0.991 332 A HN 0.159 nan 8.150 nan 0.000 0.502 333 D N 1.834 122.165 120.400 -0.115 0.000 2.443 333 D HA 0.064 4.704 4.640 -0.000 0.000 0.239 333 D C 1.531 177.775 176.300 -0.093 0.000 1.136 333 D CA 0.059 54.003 54.000 -0.094 0.000 0.879 333 D CB 0.600 41.361 40.800 -0.064 0.000 1.195 333 D HN 0.481 nan 8.370 nan 0.000 0.443 334 L N 2.073 123.245 121.223 -0.084 0.000 2.051 334 L HA -0.290 4.050 4.340 -0.000 0.000 0.214 334 L C 2.384 179.227 176.870 -0.046 0.000 1.076 334 L CA 1.753 56.556 54.840 -0.061 0.000 0.758 334 L CB -0.593 41.433 42.059 -0.055 0.000 0.890 334 L HN 0.508 nan 8.230 nan 0.000 0.433 335 K N -0.804 119.566 120.400 -0.050 0.000 2.362 335 K HA -0.110 4.210 4.320 -0.000 0.000 0.200 335 K C 1.032 177.612 176.600 -0.033 0.000 1.046 335 K CA 1.115 57.373 56.287 -0.048 0.000 0.952 335 K CB 0.029 32.498 32.500 -0.052 0.000 0.753 335 K HN 0.236 nan 8.250 nan 0.000 0.466 336 E N 0.715 120.899 120.200 -0.027 0.000 2.603 336 E HA 0.074 4.424 4.350 -0.000 0.000 0.211 336 E C -0.650 175.971 176.600 0.034 0.000 0.995 336 E CA -0.094 56.309 56.400 0.004 0.000 0.990 336 E CB 0.338 30.042 29.700 0.006 0.000 1.036 336 E HN 0.230 nan 8.360 nan 0.000 0.475 337 N N 1.796 120.489 118.700 -0.011 0.000 2.469 337 N HA 0.170 4.910 4.740 -0.000 0.000 0.239 337 N C 1.084 176.676 175.510 0.136 0.000 1.053 337 N CA -0.020 53.008 53.050 -0.036 0.000 0.937 337 N CB 0.438 38.871 38.487 -0.089 0.000 1.163 337 N HN 0.027 nan 8.380 nan 0.000 0.509 338 I N 4.726 125.502 120.570 0.345 0.000 2.091 338 I HA -0.216 3.954 4.170 -0.000 0.000 0.239 338 I C -0.694 175.504 176.117 0.134 0.000 1.061 338 I CA 1.283 62.707 61.300 0.207 0.000 1.317 338 I CB -0.921 37.170 38.000 0.152 0.000 1.031 338 I HN 0.452 nan 8.210 nan 0.000 0.401 339 P HA -0.096 nan 4.420 nan 0.000 0.218 339 P C 1.939 179.266 177.300 0.044 0.000 1.149 339 P CA 1.105 64.194 63.100 -0.019 0.000 0.817 339 P CB 0.003 31.565 31.700 -0.230 0.000 0.785 340 V N -0.331 119.673 119.914 0.149 0.000 2.307 340 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 340 V C 2.486 178.642 176.094 0.104 0.000 1.045 340 V CA 1.578 63.976 62.300 0.163 0.000 1.024 340 V CB -1.207 30.713 31.823 0.162 0.000 0.651 340 V HN 0.049 nan 8.190 nan 0.000 0.449 341 L N -0.900 120.370 121.223 0.079 0.000 2.083 341 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 341 L C 2.393 179.316 176.870 0.089 0.000 1.083 341 L CA 1.360 56.236 54.840 0.059 0.000 0.752 341 L CB -0.426 41.659 42.059 0.043 0.000 0.899 341 L HN 0.318 nan 8.230 nan 0.000 0.433 342 L N -0.579 120.690 121.223 0.077 0.000 2.056 342 L HA -0.179 4.160 4.340 -0.000 0.000 0.207 342 L C 2.781 179.709 176.870 0.096 0.000 1.078 342 L CA 1.205 56.084 54.840 0.065 0.000 0.749 342 L CB -0.333 41.716 42.059 -0.017 0.000 0.901 342 L HN 0.255 nan 8.230 nan 0.000 0.433 343 A N -0.182 122.697 122.820 0.097 0.000 1.898 343 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 343 A C 2.143 179.856 177.584 0.215 0.000 1.181 343 A CA 1.244 53.367 52.037 0.144 0.000 0.620 343 A CB -0.621 18.457 19.000 0.131 0.000 0.819 343 A HN 0.406 nan 8.150 nan 0.000 0.442 344 L N -0.715 120.624 121.223 0.194 0.000 2.083 344 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 344 L C 2.792 179.867 176.870 0.343 0.000 1.083 344 L CA 1.727 56.716 54.840 0.249 0.000 0.752 344 L CB -0.807 41.333 42.059 0.134 0.000 0.899 344 L HN 0.349 nan 8.230 nan 0.000 0.433 345 T N -1.448 113.278 114.554 0.287 0.000 2.708 345 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 345 T C 2.150 177.059 174.700 0.347 0.000 1.037 345 T CA 1.728 64.045 62.100 0.362 0.000 1.146 345 T CB -0.182 68.857 68.868 0.285 0.000 0.865 345 T HN 0.285 nan 8.240 nan 0.000 0.435 346 S N 0.535 116.400 115.700 0.274 0.000 2.356 346 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 346 S C 1.796 176.565 174.600 0.282 0.000 1.032 346 S CA 1.263 59.606 58.200 0.239 0.000 1.005 346 S CB -0.610 62.723 63.200 0.222 0.000 0.867 346 S HN 0.457 nan 8.310 nan 0.000 0.449 347 F N 1.148 121.209 119.950 0.185 0.000 2.095 347 F HA -0.114 4.413 4.527 0.000 0.000 0.298 347 F C 2.037 177.936 175.800 0.166 0.000 1.104 347 F CA 1.970 60.052 58.000 0.137 0.000 1.232 347 F CB -1.027 38.022 39.000 0.081 0.000 0.987 347 F HN 0.407 nan 8.300 nan 0.000 0.475 348 Y N 1.561 121.950 120.300 0.148 0.000 2.097 348 Y HA -0.282 4.268 4.550 0.000 0.000 0.282 348 Y C 2.384 178.398 175.900 0.190 0.000 1.152 348 Y CA 2.327 60.578 58.100 0.252 0.000 1.136 348 Y CB -0.925 37.767 38.460 0.388 0.000 0.975 348 Y HN 0.070 nan 8.280 nan 0.000 0.498 349 N N -0.484 118.323 118.700 0.177 0.000 2.120 349 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 349 N C 2.176 177.664 175.510 -0.037 0.000 1.024 349 N CA 1.489 54.563 53.050 0.041 0.000 0.852 349 N CB -0.725 37.858 38.487 0.160 0.000 1.003 349 N HN 0.414 nan 8.380 nan 0.000 0.424 350 S N -0.072 115.615 115.700 -0.021 0.000 2.345 350 S HA -0.073 4.397 4.470 -0.000 0.000 0.219 350 S C 1.752 176.184 174.600 -0.281 0.000 1.031 350 S CA 0.813 58.972 58.200 -0.068 0.000 0.984 350 S CB -0.254 62.972 63.200 0.044 0.000 0.874 350 S HN 0.399 nan 8.310 nan 0.000 0.451 351 H N -1.120 117.554 119.070 -0.660 0.000 2.363 351 H HA 0.009 4.565 4.556 0.000 0.000 0.301 351 H C 1.518 176.191 175.328 -1.092 0.000 1.074 351 H CA 1.677 57.108 56.048 -1.029 0.000 1.354 351 H CB -0.093 28.626 29.762 -1.739 0.000 1.397 351 H HN 0.499 nan 8.280 nan 0.000 0.516 352 F N -1.476 118.249 119.950 -0.375 0.000 2.714 352 F HA 0.091 4.618 4.527 -0.000 0.000 0.294 352 F C 1.323 176.736 175.800 -0.645 0.000 1.120 352 F CA 0.212 57.910 58.000 -0.503 0.000 1.398 352 F CB 0.079 38.707 39.000 -0.619 0.000 1.120 352 F HN -0.011 nan 8.300 nan 0.000 0.589 353 F N -0.643 118.982 119.950 -0.543 0.000 2.728 353 F HA 0.196 4.723 4.527 -0.000 0.000 0.314 353 F C 0.400 175.750 175.800 -0.751 0.000 1.094 353 F CA -0.434 57.103 58.000 -0.772 0.000 1.217 353 F CB 0.076 38.313 39.000 -1.270 0.000 1.056 353 F HN -0.175 nan 8.300 nan 0.000 0.577 354 D N -0.317 119.878 120.400 -0.342 0.000 2.870 354 D HA -0.259 4.381 4.640 -0.000 0.000 0.228 354 D C -0.947 175.346 176.300 -0.012 0.000 1.147 354 D CA 0.468 54.353 54.000 -0.192 0.000 0.757 354 D CB -1.294 39.417 40.800 -0.149 0.000 1.091 354 D HN 0.115 nan 8.370 nan 0.000 0.429 355 Y N 0.383 120.676 120.300 -0.013 0.000 2.627 355 Y HA 0.266 4.816 4.550 -0.000 0.000 0.347 355 Y C 1.457 177.332 175.900 -0.041 0.000 1.099 355 Y CA -0.714 57.373 58.100 -0.023 0.000 1.408 355 Y CB 0.461 38.903 38.460 -0.029 0.000 1.247 355 Y HN -0.021 nan 8.280 nan 0.000 0.506 356 K N 1.968 122.433 120.400 0.110 0.000 2.504 356 K HA 0.106 4.426 4.320 -0.000 0.000 0.199 356 K C -0.403 176.207 176.600 0.017 0.000 1.028 356 K CA 0.114 56.426 56.287 0.041 0.000 1.164 356 K CB -0.055 32.454 32.500 0.016 0.000 0.877 356 K HN 0.568 nan 8.250 nan 0.000 0.508 357 N N -0.421 118.283 118.700 0.006 0.000 2.321 357 N HA 0.369 5.109 4.740 -0.000 0.000 0.290 357 N C -1.690 173.750 175.510 -0.117 0.000 1.212 357 N CA -0.686 52.350 53.050 -0.023 0.000 0.767 357 N CB 2.581 41.092 38.487 0.040 0.000 1.494 357 N HN -0.260 nan 8.380 nan 0.000 0.479 358 V N 0.627 120.384 119.914 -0.262 0.000 2.623 358 V HA 0.756 4.876 4.120 -0.000 0.000 0.304 358 V C -0.845 174.996 176.094 -0.423 0.000 1.054 358 V CA -0.863 61.172 62.300 -0.440 0.000 0.882 358 V CB 1.592 32.854 31.823 -0.935 0.000 1.002 358 V HN 0.829 nan 8.190 nan 0.000 0.424 359 A N 5.768 128.332 122.820 -0.428 0.000 2.260 359 A HA 0.843 5.163 4.320 -0.000 0.000 0.308 359 A C -0.658 176.731 177.584 -0.326 0.000 1.254 359 A CA -0.292 51.328 52.037 -0.695 0.000 0.874 359 A CB 0.174 18.784 19.000 -0.650 0.000 1.153 359 A HN 0.739 nan 8.150 nan 0.000 0.527 360 I N 3.331 123.748 120.570 -0.255 0.000 2.291 360 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 360 I C -0.437 175.696 176.117 0.026 0.000 1.050 360 I CA 0.468 61.745 61.300 -0.038 0.000 1.245 360 I CB 0.853 38.824 38.000 -0.048 0.000 1.405 360 I HN 0.494 nan 8.210 nan 0.000 0.478 361 L N 9.030 130.324 121.223 0.117 0.000 2.445 361 L HA 0.428 4.768 4.340 -0.000 0.000 0.252 361 L C -2.414 174.626 176.870 0.284 0.000 1.105 361 L CA -1.666 53.291 54.840 0.195 0.000 0.943 361 L CB 0.625 42.840 42.059 0.261 0.000 1.277 361 L HN 0.317 nan 8.230 nan 0.000 0.465 362 P HA 0.049 nan 4.420 nan 0.000 0.282 362 P C -0.845 176.603 177.300 0.245 0.000 1.262 362 P CA -0.143 63.119 63.100 0.270 0.000 0.773 362 P CB 0.600 32.432 31.700 0.221 0.000 0.879 363 Y N 3.688 124.120 120.300 0.220 0.000 2.735 363 Y HA 0.349 4.899 4.550 -0.000 0.000 0.354 363 Y C -0.204 175.886 175.900 0.318 0.000 1.288 363 Y CA 0.266 58.484 58.100 0.198 0.000 1.836 363 Y CB -0.599 37.954 38.460 0.154 0.000 1.920 363 Y HN 0.239 nan 8.280 nan 0.000 0.438 364 F N 0.576 120.583 119.950 0.096 0.000 3.102 364 F HA 0.131 4.658 4.527 -0.000 0.000 0.359 364 F C 0.718 176.533 175.800 0.026 0.000 1.243 364 F CA -1.211 56.843 58.000 0.089 0.000 1.215 364 F CB 0.906 40.007 39.000 0.169 0.000 1.549 364 F HN 0.013 nan 8.300 nan 0.000 0.657 365 Q N 2.135 121.856 119.800 -0.132 0.000 2.234 365 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 365 Q C 1.252 177.235 176.000 -0.028 0.000 0.980 365 Q CA 2.190 57.942 55.803 -0.085 0.000 0.869 365 Q CB -0.076 28.585 28.738 -0.129 0.000 0.912 365 Q HN 0.592 nan 8.270 nan 0.000 0.436 366 N N -0.476 118.171 118.700 -0.088 0.000 2.520 366 N HA -0.074 4.665 4.740 -0.000 0.000 0.185 366 N C 0.452 176.089 175.510 0.211 0.000 1.068 366 N CA 0.639 53.745 53.050 0.094 0.000 0.911 366 N CB 0.041 38.614 38.487 0.143 0.000 0.961 366 N HN 0.341 nan 8.380 nan 0.000 0.446 367 L N 1.637 123.022 121.223 0.271 0.000 2.688 367 L HA 0.177 4.517 4.340 -0.000 0.000 0.234 367 L C 1.786 178.803 176.870 0.246 0.000 1.192 367 L CA -0.110 54.895 54.840 0.274 0.000 0.984 367 L CB -0.327 41.869 42.059 0.229 0.000 1.232 367 L HN 0.152 nan 8.230 nan 0.000 0.465 368 L N -2.163 119.171 121.223 0.185 0.000 2.349 368 L HA -0.121 4.219 4.340 -0.000 0.000 0.220 368 L C 1.710 178.674 176.870 0.157 0.000 1.130 368 L CA 1.408 56.336 54.840 0.147 0.000 0.791 368 L CB -0.299 41.825 42.059 0.109 0.000 0.918 368 L HN 0.123 nan 8.230 nan 0.000 0.444 369 K N -0.665 119.857 120.400 0.203 0.000 2.373 369 K HA 0.109 4.429 4.320 -0.000 0.000 0.202 369 K C 1.344 178.061 176.600 0.196 0.000 1.025 369 K CA 0.016 56.408 56.287 0.176 0.000 1.115 369 K CB 0.099 32.694 32.500 0.159 0.000 0.858 369 K HN 0.271 nan 8.250 nan 0.000 0.525 370 F N 2.155 122.114 119.950 0.015 0.000 2.084 370 F HA -0.176 4.351 4.527 -0.000 0.000 0.296 370 F C 2.459 178.085 175.800 -0.291 0.000 1.111 370 F CA 1.467 59.281 58.000 -0.311 0.000 1.224 370 F CB -0.455 38.326 39.000 -0.365 0.000 0.991 370 F HN 0.001 nan 8.300 nan 0.000 0.471 371 S N 0.178 115.735 115.700 -0.237 0.000 2.365 371 S HA -0.247 4.223 4.470 -0.000 0.000 0.225 371 S C 2.329 176.770 174.600 -0.266 0.000 1.039 371 S CA 1.545 59.571 58.200 -0.291 0.000 1.033 371 S CB -0.949 62.204 63.200 -0.079 0.000 0.887 371 S HN 0.546 nan 8.310 nan 0.000 0.447 372 A N 0.405 123.136 122.820 -0.147 0.000 1.940 372 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 372 A C 1.980 179.446 177.584 -0.196 0.000 1.176 372 A CA 2.224 54.188 52.037 -0.121 0.000 0.631 372 A CB -1.271 17.698 19.000 -0.051 0.000 0.814 372 A HN 0.824 nan 8.150 nan 0.000 0.446 373 H N -0.036 118.829 119.070 -0.342 0.000 2.326 373 H HA -0.047 4.509 4.556 -0.000 0.000 0.301 373 H C 1.730 176.761 175.328 -0.495 0.000 1.081 373 H CA 1.725 57.539 56.048 -0.389 0.000 1.334 373 H CB -0.181 29.386 29.762 -0.326 0.000 1.385 373 H HN 0.293 nan 8.280 nan 0.000 0.504 374 I N 1.040 121.080 120.570 -0.884 0.000 2.264 374 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 374 I C 2.345 178.029 176.117 -0.721 0.000 1.111 374 I CA 1.263 62.004 61.300 -0.932 0.000 1.382 374 I CB -1.326 36.033 38.000 -1.067 0.000 1.060 374 I HN 0.479 nan 8.210 nan 0.000 0.418 375 Q N 0.084 119.594 119.800 -0.484 0.000 2.045 375 Q HA -0.287 4.053 4.340 -0.000 0.000 0.206 375 Q C 2.314 178.108 176.000 -0.342 0.000 0.991 375 Q CA 2.215 57.827 55.803 -0.318 0.000 0.851 375 Q CB -0.164 28.479 28.738 -0.159 0.000 0.911 375 Q HN 0.581 nan 8.270 nan 0.000 0.418 376 Q N 0.204 119.796 119.800 -0.346 0.000 2.046 376 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 376 Q C 2.189 177.945 176.000 -0.407 0.000 0.975 376 Q CA 1.112 56.730 55.803 -0.307 0.000 0.836 376 Q CB -0.149 28.440 28.738 -0.248 0.000 0.896 376 Q HN 0.324 nan 8.270 nan 0.000 0.428 377 L N 0.677 121.542 121.223 -0.597 0.000 2.013 377 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 377 L C 2.119 178.678 176.870 -0.518 0.000 1.073 377 L CA 2.335 56.776 54.840 -0.666 0.000 0.753 377 L CB -0.687 40.866 42.059 -0.844 0.000 0.890 377 L HN 0.161 nan 8.230 nan 0.000 0.432 378 S N -0.846 114.516 115.700 -0.563 0.000 2.336 378 S HA -0.076 4.394 4.470 -0.000 0.000 0.216 378 S C 1.836 176.250 174.600 -0.309 0.000 1.032 378 S CA 1.645 59.534 58.200 -0.518 0.000 0.973 378 S CB -0.305 62.230 63.200 -1.110 0.000 0.888 378 S HN 0.441 nan 8.310 nan 0.000 0.455 379 M N 1.234 120.667 119.600 -0.278 0.000 2.132 379 M HA -0.072 4.407 4.480 -0.000 0.000 0.263 379 M C 2.347 178.583 176.300 -0.107 0.000 1.065 379 M CA 1.336 56.562 55.300 -0.124 0.000 1.122 379 M CB -0.335 32.222 32.600 -0.073 0.000 1.365 379 M HN 0.323 nan 8.290 nan 0.000 0.411 380 E N -0.190 119.922 120.200 -0.147 0.000 2.158 380 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 380 E C 1.818 178.353 176.600 -0.107 0.000 0.982 380 E CA 0.957 57.289 56.400 -0.114 0.000 0.823 380 E CB 0.281 29.908 29.700 -0.122 0.000 0.766 380 E HN 0.376 nan 8.360 nan 0.000 0.468 381 S N 0.894 116.507 115.700 -0.146 0.000 2.348 381 S HA -0.025 4.445 4.470 -0.000 0.000 0.219 381 S C 1.349 175.876 174.600 -0.122 0.000 1.033 381 S CA 0.911 59.032 58.200 -0.132 0.000 0.974 381 S CB -0.024 63.088 63.200 -0.146 0.000 0.868 381 S HN 0.275 nan 8.310 nan 0.000 0.459 382 N N 0.774 119.418 118.700 -0.093 0.000 2.236 382 N HA 0.166 4.906 4.740 -0.000 0.000 0.196 382 N C 0.524 176.038 175.510 0.006 0.000 1.114 382 N CA 0.067 53.094 53.050 -0.038 0.000 0.859 382 N CB 0.308 38.792 38.487 -0.005 0.000 0.982 382 N HN 0.310 nan 8.380 nan 0.000 0.493 383 G N 1.074 109.869 108.800 -0.009 0.000 3.209 383 G HA2 0.146 4.106 3.960 -0.000 0.000 0.274 383 G HA3 0.146 4.106 3.960 -0.000 0.000 0.274 383 G C 0.204 175.106 174.900 0.004 0.000 0.850 383 G CA -0.132 44.972 45.100 0.006 0.000 1.907 383 G HN -0.120 nan 8.290 nan 0.000 0.591 384 K N -0.018 120.386 120.400 0.006 0.000 2.400 384 K HA 0.550 4.870 4.320 -0.000 0.000 0.246 384 K C 0.288 176.868 176.600 -0.035 0.000 0.995 384 K CA -0.892 55.396 56.287 0.002 0.000 0.840 384 K CB 1.888 34.396 32.500 0.014 0.000 1.293 384 K HN 0.221 nan 8.250 nan 0.000 0.445 385 S N -1.619 114.047 115.700 -0.057 0.000 3.009 385 S HA 0.246 4.716 4.470 -0.000 0.000 0.254 385 S C -0.279 174.226 174.600 -0.159 0.000 1.004 385 S CA -0.489 57.628 58.200 -0.138 0.000 1.119 385 S CB 0.146 63.269 63.200 -0.129 0.000 1.075 385 S HN 0.164 nan 8.310 nan 0.000 0.618 386 V N 3.167 123.029 119.914 -0.086 0.000 2.577 386 V HA 0.484 4.604 4.120 -0.000 0.000 0.303 386 V C -0.700 175.389 176.094 -0.008 0.000 1.042 386 V CA -0.901 61.364 62.300 -0.058 0.000 0.872 386 V CB 1.830 33.642 31.823 -0.019 0.000 0.998 386 V HN 0.539 nan 8.190 nan 0.000 0.423 387 D N 4.031 124.435 120.400 0.007 0.000 2.398 387 D HA 0.177 4.817 4.640 -0.000 0.000 0.247 387 D C 0.936 177.294 176.300 0.096 0.000 1.227 387 D CA -0.605 53.443 54.000 0.081 0.000 0.980 387 D CB 0.863 41.746 40.800 0.138 0.000 1.106 387 D HN 0.361 nan 8.370 nan 0.000 0.493 388 R N -0.635 119.941 120.500 0.128 0.000 2.293 388 R HA -0.002 4.338 4.340 -0.000 0.000 0.219 388 R C 0.530 176.892 176.300 0.104 0.000 1.091 388 R CA 0.533 56.713 56.100 0.133 0.000 1.004 388 R CB -0.261 30.142 30.300 0.171 0.000 0.865 388 R HN 0.412 nan 8.270 nan 0.000 0.469 389 N N 0.726 119.479 118.700 0.087 0.000 2.270 389 N HA 0.007 4.747 4.740 -0.000 0.000 0.198 389 N C -0.326 175.214 175.510 0.050 0.000 1.117 389 N CA 0.138 53.227 53.050 0.066 0.000 0.845 389 N CB 0.354 38.880 38.487 0.064 0.000 0.980 389 N HN 0.127 nan 8.380 nan 0.000 0.486 390 N N 0.435 119.165 118.700 0.049 0.000 2.850 390 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 390 N C -0.902 174.614 175.510 0.011 0.000 1.060 390 N CA 0.723 53.789 53.050 0.027 0.000 0.825 390 N CB -0.999 37.500 38.487 0.020 0.000 1.132 390 N HN 0.324 nan 8.380 nan 0.000 0.564 391 Q N 0.324 120.133 119.800 0.016 0.000 2.257 391 Q HA 0.453 4.793 4.340 -0.000 0.000 0.255 391 Q C -2.265 173.710 176.000 -0.042 0.000 0.920 391 Q CA -1.718 54.087 55.803 0.002 0.000 0.927 391 Q CB 0.895 29.650 28.738 0.027 0.000 1.229 391 Q HN 0.097 nan 8.270 nan 0.000 0.433 392 P HA 0.035 nan 4.420 nan 0.000 0.264 392 P C -0.570 176.556 177.300 -0.290 0.000 1.193 392 P CA -0.021 62.982 63.100 -0.162 0.000 0.763 392 P CB 0.322 31.953 31.700 -0.116 0.000 0.810 393 I N -0.504 119.790 120.570 -0.460 0.000 2.797 393 I HA 0.480 4.650 4.170 -0.000 0.000 0.307 393 I C 0.528 176.135 176.117 -0.851 0.000 1.033 393 I CA -0.228 60.716 61.300 -0.593 0.000 1.071 393 I CB 1.514 39.088 38.000 -0.710 0.000 1.255 393 I HN 0.322 nan 8.210 nan 0.000 0.445 394 H N 1.712 120.635 119.070 -0.245 0.000 2.893 394 H HA 0.200 4.756 4.556 -0.000 0.000 0.270 394 H C -0.545 174.726 175.328 -0.096 0.000 1.095 394 H CA 0.006 55.973 56.048 -0.134 0.000 1.186 394 H CB -0.075 29.657 29.762 -0.050 0.000 1.562 394 H HN 0.716 nan 8.280 nan 0.000 0.536 395 Y N 0.546 120.870 120.300 0.040 0.000 2.281 395 Y HA 0.274 4.824 4.550 -0.000 0.000 0.337 395 Y C 0.416 176.269 175.900 -0.078 0.000 1.304 395 Y CA -1.436 56.645 58.100 -0.031 0.000 1.465 395 Y CB 0.059 38.549 38.460 0.050 0.000 1.350 395 Y HN -0.254 nan 8.280 nan 0.000 0.575 396 N N 0.883 119.570 118.700 -0.021 0.000 2.492 396 N HA 0.122 4.862 4.740 -0.000 0.000 0.262 396 N C 0.341 175.992 175.510 0.235 0.000 1.202 396 N CA 0.520 53.543 53.050 -0.045 0.000 0.926 396 N CB 1.019 39.348 38.487 -0.264 0.000 1.078 396 N HN 0.923 nan 8.380 nan 0.000 0.454 397 T N -1.945 112.703 114.554 0.157 0.000 2.747 397 T HA 0.221 4.571 4.350 -0.000 0.000 0.236 397 T C 0.576 175.383 174.700 0.177 0.000 1.046 397 T CA -0.568 61.657 62.100 0.209 0.000 1.054 397 T CB -0.141 68.804 68.868 0.127 0.000 2.287 397 T HN 0.466 nan 8.240 nan 0.000 0.523 398 C N 2.262 121.646 119.300 0.140 0.000 2.642 398 C HA 0.330 4.790 4.460 -0.000 0.000 0.420 398 C C 0.832 175.918 174.990 0.159 0.000 1.349 398 C CA -0.032 59.084 59.018 0.163 0.000 1.821 398 C CB -1.087 26.726 27.740 0.121 0.000 2.637 398 C HN 0.791 nan 8.230 nan 0.000 0.605 399 Q N 2.245 122.166 119.800 0.201 0.000 2.535 399 Q HA 0.335 4.675 4.340 -0.000 0.000 0.228 399 Q C -0.195 175.905 176.000 0.167 0.000 1.062 399 Q CA -0.032 55.839 55.803 0.115 0.000 0.967 399 Q CB 0.420 29.146 28.738 -0.020 0.000 1.273 399 Q HN 0.661 nan 8.270 nan 0.000 0.554 400 V N 2.038 122.002 119.914 0.084 0.000 2.488 400 V HA 0.106 4.226 4.120 -0.000 0.000 0.277 400 V C -0.808 175.374 176.094 0.148 0.000 1.046 400 V CA 0.003 62.373 62.300 0.116 0.000 0.986 400 V CB -0.220 31.621 31.823 0.030 0.000 0.989 400 V HN 0.545 nan 8.190 nan 0.000 0.475 401 Y N 6.064 126.403 120.300 0.066 0.000 2.342 401 Y HA 0.700 5.250 4.550 -0.000 0.000 0.334 401 Y C 0.075 176.059 175.900 0.140 0.000 1.067 401 Y CA -0.408 57.727 58.100 0.059 0.000 1.128 401 Y CB 1.655 40.081 38.460 -0.056 0.000 1.200 401 Y HN 0.707 nan 8.280 nan 0.000 0.464 402 F N -0.315 119.627 119.950 -0.013 0.000 2.831 402 F HA 0.966 5.493 4.527 0.000 0.000 0.318 402 F C -0.491 175.278 175.800 -0.052 0.000 1.174 402 F CA -0.968 56.991 58.000 -0.067 0.000 0.918 402 F CB 1.560 40.463 39.000 -0.161 0.000 1.364 402 F HN 0.690 nan 8.300 nan 0.000 0.475 403 G N 0.833 109.534 108.800 -0.165 0.000 2.350 403 G HA2 0.455 4.415 3.960 -0.000 0.000 0.305 403 G HA3 0.455 4.415 3.960 -0.000 0.000 0.305 403 G C -2.527 172.473 174.900 0.166 0.000 1.479 403 G CA -0.935 44.094 45.100 -0.118 0.000 0.949 403 G HN 0.739 nan 8.290 nan 0.000 0.651 404 E N -0.110 120.261 120.200 0.285 0.000 2.356 404 E HA 0.575 4.925 4.350 -0.000 0.000 0.275 404 E C -2.624 174.034 176.600 0.097 0.000 0.904 404 E CA -1.504 55.017 56.400 0.202 0.000 0.757 404 E CB 2.598 32.445 29.700 0.246 0.000 1.232 404 E HN 0.290 nan 8.360 nan 0.000 0.442 405 P HA 0.116 nan 4.420 nan 0.000 0.269 405 P C 0.032 177.187 177.300 -0.242 0.000 1.209 405 P CA -0.103 62.971 63.100 -0.044 0.000 0.776 405 P CB 0.485 32.184 31.700 -0.003 0.000 0.876 406 G N 0.444 108.903 108.800 -0.567 0.000 2.467 406 G HA2 0.320 4.280 3.960 -0.000 0.000 0.257 406 G HA3 0.320 4.280 3.960 -0.000 0.000 0.257 406 G C 0.925 175.446 174.900 -0.631 0.000 1.227 406 G CA -0.318 44.112 45.100 -1.116 0.000 0.835 406 G HN 0.526 nan 8.290 nan 0.000 0.556 407 T N -0.431 113.912 114.554 -0.352 0.000 3.129 407 T HA -0.032 4.318 4.350 -0.000 0.000 0.251 407 T C 1.720 176.222 174.700 -0.329 0.000 1.117 407 T CA 0.178 62.075 62.100 -0.338 0.000 1.034 407 T CB -0.075 68.760 68.868 -0.054 0.000 0.968 407 T HN 0.337 nan 8.240 nan 0.000 0.526 408 N N 2.566 121.130 118.700 -0.227 0.000 2.043 408 N HA -0.045 4.695 4.740 -0.000 0.000 0.193 408 N C 2.215 177.541 175.510 -0.306 0.000 1.037 408 N CA 1.789 54.745 53.050 -0.157 0.000 0.851 408 N CB -1.141 37.300 38.487 -0.078 0.000 1.027 408 N HN 0.597 nan 8.380 nan 0.000 0.422 409 G N 0.660 109.217 108.800 -0.406 0.000 2.422 409 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 409 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 409 G C 1.397 175.529 174.900 -1.279 0.000 1.146 409 G CA 0.775 45.430 45.100 -0.743 0.000 0.769 409 G HN 0.409 nan 8.290 nan 0.000 0.547 410 Q N -0.337 118.611 119.800 -1.421 0.000 2.112 410 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 410 Q C 1.916 177.256 176.000 -1.099 0.000 0.987 410 Q CA 1.357 55.979 55.803 -1.968 0.000 0.858 410 Q CB -0.163 27.765 28.738 -1.349 0.000 0.905 410 Q HN 0.595 nan 8.270 nan 0.000 0.420 411 H N -0.878 117.901 119.070 -0.485 0.000 2.539 411 H HA 0.120 4.676 4.556 -0.000 0.000 0.267 411 H C 1.504 176.711 175.328 -0.202 0.000 0.982 411 H CA 0.788 56.682 56.048 -0.257 0.000 1.146 411 H CB 0.609 30.269 29.762 -0.170 0.000 1.382 411 H HN 0.223 nan 8.280 nan 0.000 0.577 412 S N 0.412 115.963 115.700 -0.248 0.000 2.738 412 S HA -0.006 4.464 4.470 -0.000 0.000 0.216 412 S C 1.109 175.716 174.600 0.011 0.000 0.968 412 S CA 0.049 58.183 58.200 -0.109 0.000 0.879 412 S CB 0.009 63.155 63.200 -0.091 0.000 0.837 412 S HN 0.253 nan 8.310 nan 0.000 0.622 413 F N -0.753 119.297 119.950 0.166 0.000 2.729 413 F HA 0.594 5.121 4.527 -0.000 0.000 0.315 413 F C 0.845 176.856 175.800 0.352 0.000 1.102 413 F CA -0.865 57.273 58.000 0.231 0.000 1.204 413 F CB -0.523 38.626 39.000 0.248 0.000 1.052 413 F HN 0.085 nan 8.300 nan 0.000 0.551 414 Y N 1.684 122.009 120.300 0.041 0.000 2.483 414 Y HA -0.134 4.416 4.550 -0.000 0.000 0.291 414 Y C 2.606 178.683 175.900 0.295 0.000 1.143 414 Y CA 1.093 59.311 58.100 0.197 0.000 1.289 414 Y CB -0.898 37.656 38.460 0.157 0.000 0.983 414 Y HN 0.341 nan 8.280 nan 0.000 0.556 415 Q N 0.797 120.813 119.800 0.360 0.000 2.077 415 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 415 Q C 2.225 178.360 176.000 0.226 0.000 0.989 415 Q CA 2.072 58.030 55.803 0.259 0.000 0.853 415 Q CB -0.860 27.980 28.738 0.171 0.000 0.907 415 Q HN 0.602 nan 8.270 nan 0.000 0.418 416 L N -0.552 120.802 121.223 0.219 0.000 2.046 416 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 416 L C 2.255 179.191 176.870 0.111 0.000 1.077 416 L CA 1.326 56.253 54.840 0.145 0.000 0.747 416 L CB -0.233 41.908 42.059 0.137 0.000 0.896 416 L HN 0.379 nan 8.230 nan 0.000 0.432 417 I N -0.919 119.737 120.570 0.143 0.000 2.335 417 I HA -0.315 3.855 4.170 -0.000 0.000 0.251 417 I C 2.282 178.316 176.117 -0.139 0.000 1.129 417 I CA 1.062 62.341 61.300 -0.035 0.000 1.402 417 I CB -0.629 37.288 38.000 -0.138 0.000 1.069 417 I HN 0.413 nan 8.210 nan 0.000 0.424 418 H N 0.157 119.280 119.070 0.089 0.000 2.399 418 H HA 0.075 4.631 4.556 -0.000 0.000 0.300 418 H C 1.531 176.885 175.328 0.043 0.000 1.048 418 H CA 1.027 57.156 56.048 0.134 0.000 1.370 418 H CB 0.412 30.363 29.762 0.316 0.000 1.428 418 H HN 0.458 nan 8.280 nan 0.000 0.534 419 Q N -0.307 119.549 119.800 0.094 0.000 2.211 419 Q HA 0.194 4.534 4.340 -0.000 0.000 0.242 419 Q C 1.073 177.065 176.000 -0.012 0.000 0.825 419 Q CA -0.024 55.763 55.803 -0.026 0.000 0.951 419 Q CB 1.944 30.605 28.738 -0.129 0.000 1.130 419 Q HN 0.201 nan 8.270 nan 0.000 0.496 420 G N 1.247 110.054 108.800 0.012 0.000 2.945 420 G HA2 0.146 4.106 3.960 -0.000 0.000 0.156 420 G HA3 0.146 4.106 3.960 -0.000 0.000 0.156 420 G C -0.462 174.430 174.900 -0.015 0.000 1.375 420 G CA -0.492 44.610 45.100 0.002 0.000 1.039 420 G HN 0.194 nan 8.290 nan 0.000 0.586 421 Q N -0.298 119.490 119.800 -0.021 0.000 2.361 421 Q HA 0.291 4.631 4.340 -0.000 0.000 0.276 421 Q C -0.551 175.395 176.000 -0.091 0.000 1.022 421 Q CA -0.448 55.333 55.803 -0.038 0.000 0.898 421 Q CB 0.961 29.681 28.738 -0.031 0.000 1.246 421 Q HN 0.096 nan 8.270 nan 0.000 0.410 422 V N 4.576 124.395 119.914 -0.158 0.000 2.529 422 V HA 0.103 4.223 4.120 -0.000 0.000 0.292 422 V C 0.112 175.938 176.094 -0.448 0.000 1.028 422 V CA 0.222 62.303 62.300 -0.365 0.000 1.074 422 V CB -0.140 31.334 31.823 -0.583 0.000 0.958 422 V HN 0.645 nan 8.190 nan 0.000 0.481 423 I N 7.632 127.993 120.570 -0.348 0.000 2.448 423 I HA 0.361 4.531 4.170 -0.000 0.000 0.281 423 I C -2.424 173.530 176.117 -0.271 0.000 1.027 423 I CA -1.835 59.321 61.300 -0.240 0.000 1.111 423 I CB 2.018 39.990 38.000 -0.046 0.000 1.236 423 I HN 0.454 nan 8.210 nan 0.000 0.452 424 P HA 0.054 nan 4.420 nan 0.000 0.265 424 P C -0.658 176.532 177.300 -0.183 0.000 1.193 424 P CA -0.101 62.877 63.100 -0.204 0.000 0.765 424 P CB 0.548 32.182 31.700 -0.110 0.000 0.823 425 V N 0.138 119.946 119.914 -0.177 0.000 2.815 425 V HA 0.590 4.710 4.120 -0.000 0.000 0.314 425 V C -0.411 175.629 176.094 -0.089 0.000 1.064 425 V CA -0.774 61.429 62.300 -0.162 0.000 0.952 425 V CB 2.228 33.926 31.823 -0.208 0.000 1.020 425 V HN 0.359 nan 8.190 nan 0.000 0.439 426 E N 3.074 123.257 120.200 -0.028 0.000 2.182 426 E HA 0.535 4.885 4.350 -0.000 0.000 0.258 426 E C -1.618 175.046 176.600 0.108 0.000 0.879 426 E CA -0.605 55.835 56.400 0.067 0.000 0.754 426 E CB 2.009 31.816 29.700 0.179 0.000 1.162 426 E HN 0.588 nan 8.360 nan 0.000 0.419 427 L N 4.217 125.484 121.223 0.073 0.000 2.275 427 L HA 0.468 4.808 4.340 -0.000 0.000 0.288 427 L C -0.632 176.434 176.870 0.326 0.000 1.046 427 L CA -0.159 54.774 54.840 0.155 0.000 0.805 427 L CB 0.976 42.920 42.059 -0.192 0.000 1.193 427 L HN 0.496 nan 8.230 nan 0.000 0.426 428 I N 2.759 123.566 120.570 0.394 0.000 2.436 428 I HA 0.747 4.917 4.170 -0.000 0.000 0.289 428 I C 0.355 176.461 176.117 -0.018 0.000 1.010 428 I CA -0.253 61.160 61.300 0.190 0.000 1.098 428 I CB 1.898 39.945 38.000 0.079 0.000 1.266 428 I HN 0.643 nan 8.210 nan 0.000 0.434 429 G N 4.721 113.198 108.800 -0.538 0.000 2.694 429 G HA2 0.807 4.767 3.960 -0.000 0.000 0.290 429 G HA3 0.807 4.767 3.960 -0.000 0.000 0.290 429 G C -1.642 172.592 174.900 -1.110 0.000 1.386 429 G CA -0.441 44.098 45.100 -0.935 0.000 0.872 429 G HN 0.293 nan 8.290 nan 0.000 0.475 430 F N -0.720 119.089 119.950 -0.235 0.000 2.588 430 F HA 0.504 5.031 4.527 -0.000 0.000 0.314 430 F C 1.233 177.062 175.800 0.049 0.000 1.069 430 F CA -0.950 56.991 58.000 -0.097 0.000 0.931 430 F CB 2.875 41.707 39.000 -0.280 0.000 1.260 430 F HN 0.399 nan 8.300 nan 0.000 0.465 431 K N -0.156 120.339 120.400 0.159 0.000 2.228 431 K HA 0.046 4.366 4.320 -0.000 0.000 0.202 431 K C -0.074 176.336 176.600 -0.316 0.000 1.051 431 K CA 0.832 57.090 56.287 -0.049 0.000 0.960 431 K CB 0.025 32.428 32.500 -0.162 0.000 0.743 431 K HN 0.451 nan 8.250 nan 0.000 0.458 432 H N -1.074 118.026 119.070 0.050 0.000 2.622 432 H HA 0.198 4.754 4.556 -0.000 0.000 0.363 432 H C -0.676 174.460 175.328 -0.319 0.000 1.151 432 H CA -0.609 55.337 56.048 -0.170 0.000 1.184 432 H CB 2.064 31.820 29.762 -0.010 0.000 1.643 432 H HN -0.113 nan 8.280 nan 0.000 0.531 433 S N -0.254 115.240 115.700 -0.343 0.000 2.652 433 S HA 0.114 4.584 4.470 -0.000 0.000 0.270 433 S C 0.850 175.540 174.600 0.150 0.000 1.243 433 S CA -0.344 57.765 58.200 -0.152 0.000 0.999 433 S CB 0.504 63.598 63.200 -0.176 0.000 0.973 433 S HN 0.679 nan 8.310 nan 0.000 0.544 434 H N 0.560 119.697 119.070 0.112 0.000 2.544 434 H HA 0.219 4.775 4.556 -0.000 0.000 0.269 434 H C -0.558 174.862 175.328 0.152 0.000 0.970 434 H CA 0.347 56.484 56.048 0.149 0.000 1.219 434 H CB 0.341 30.197 29.762 0.157 0.000 1.421 434 H HN 0.435 nan 8.280 nan 0.000 0.555 435 F N 2.295 122.242 119.950 -0.004 0.000 2.872 435 F HA 0.272 4.799 4.527 -0.000 0.000 0.363 435 F C -2.670 173.055 175.800 -0.126 0.000 1.357 435 F CA -2.694 55.251 58.000 -0.091 0.000 1.174 435 F CB 0.907 39.817 39.000 -0.150 0.000 1.860 435 F HN -0.171 nan 8.300 nan 0.000 0.615 436 P HA 0.256 nan 4.420 nan 0.000 0.267 436 P C -0.504 176.549 177.300 -0.410 0.000 1.205 436 P CA 0.355 63.312 63.100 -0.239 0.000 0.765 436 P CB 1.484 33.084 31.700 -0.167 0.000 0.828 437 I N 2.965 123.365 120.570 -0.283 0.000 2.466 437 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 437 I C 0.094 176.005 176.117 -0.343 0.000 1.026 437 I CA -0.784 60.289 61.300 -0.378 0.000 1.078 437 I CB 2.190 40.066 38.000 -0.205 0.000 1.249 437 I HN 0.219 nan 8.210 nan 0.000 0.429 438 K N 6.600 126.692 120.400 -0.513 0.000 2.588 438 K HA 0.544 4.864 4.320 -0.000 0.000 0.250 438 K C -2.056 174.250 176.600 -0.491 0.000 0.972 438 K CA -0.291 55.783 56.287 -0.355 0.000 0.821 438 K CB 1.055 33.458 32.500 -0.162 0.000 1.249 438 K HN 0.313 nan 8.250 nan 0.000 0.442 439 F N 3.283 123.266 119.950 0.054 0.000 2.450 439 F HA 0.200 4.727 4.527 -0.000 0.000 0.332 439 F C 1.399 177.221 175.800 0.036 0.000 1.093 439 F CA -0.603 57.428 58.000 0.051 0.000 1.003 439 F CB 1.482 40.516 39.000 0.056 0.000 1.151 439 F HN 0.780 nan 8.300 nan 0.000 0.474 440 D N 1.607 122.131 120.400 0.208 0.000 2.192 440 D HA -0.326 4.314 4.640 -0.000 0.000 0.189 440 D C 1.732 178.092 176.300 0.101 0.000 1.007 440 D CA 2.373 56.445 54.000 0.119 0.000 0.859 440 D CB -0.728 40.131 40.800 0.099 0.000 0.936 440 D HN 0.558 nan 8.370 nan 0.000 0.447 441 K N 0.830 121.296 120.400 0.110 0.000 2.432 441 K HA -0.000 4.320 4.320 -0.000 0.000 0.196 441 K C 1.239 177.888 176.600 0.082 0.000 1.038 441 K CA 0.688 57.021 56.287 0.077 0.000 0.986 441 K CB -0.469 32.065 32.500 0.056 0.000 0.782 441 K HN 0.294 nan 8.250 nan 0.000 0.485 442 E N 0.361 120.632 120.200 0.118 0.000 2.373 442 E HA 0.086 4.436 4.350 -0.000 0.000 0.267 442 E C 1.285 177.929 176.600 0.074 0.000 1.032 442 E CA -0.112 56.353 56.400 0.108 0.000 0.889 442 E CB 1.715 31.508 29.700 0.155 0.000 0.984 442 E HN -0.005 nan 8.360 nan 0.000 0.425 443 V N 2.209 122.160 119.914 0.061 0.000 2.343 443 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 443 V C 1.056 177.177 176.094 0.045 0.000 1.051 443 V CA 1.643 63.971 62.300 0.046 0.000 1.036 443 V CB -0.282 31.565 31.823 0.040 0.000 0.654 443 V HN 0.562 nan 8.190 nan 0.000 0.451 444 V N -3.369 116.577 119.914 0.053 0.000 3.159 444 V HA 0.731 4.851 4.120 -0.000 0.000 0.308 444 V C -0.199 175.927 176.094 0.053 0.000 1.190 444 V CA -0.605 61.725 62.300 0.049 0.000 1.037 444 V CB 1.636 33.487 31.823 0.048 0.000 1.060 444 V HN 0.230 nan 8.190 nan 0.000 0.437 445 S N 1.117 116.842 115.700 0.043 0.000 2.573 445 S HA 0.159 4.629 4.470 -0.000 0.000 0.277 445 S C 0.742 175.379 174.600 0.061 0.000 1.346 445 S CA 0.445 58.663 58.200 0.030 0.000 1.034 445 S CB 0.220 63.439 63.200 0.032 0.000 0.879 445 S HN 0.855 nan 8.310 nan 0.000 0.528 446 N N 1.065 119.801 118.700 0.059 0.000 2.149 446 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 446 N C 1.473 177.043 175.510 0.101 0.000 1.019 446 N CA 1.896 54.998 53.050 0.087 0.000 0.857 446 N CB -0.843 37.700 38.487 0.094 0.000 0.997 446 N HN 0.907 nan 8.380 nan 0.000 0.426 447 H N 0.330 119.421 119.070 0.034 0.000 2.389 447 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 447 H C 1.036 176.407 175.328 0.073 0.000 1.081 447 H CA 1.523 57.604 56.048 0.055 0.000 1.345 447 H CB -0.066 29.727 29.762 0.052 0.000 1.393 447 H HN 0.094 nan 8.280 nan 0.000 0.520 448 D N -0.219 120.224 120.400 0.070 0.000 2.144 448 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 448 D C 2.153 178.471 176.300 0.031 0.000 0.978 448 D CA 1.181 55.205 54.000 0.040 0.000 0.833 448 D CB -0.209 40.629 40.800 0.064 0.000 0.961 448 D HN 0.450 nan 8.370 nan 0.000 0.470 449 E N 0.495 120.722 120.200 0.045 0.000 2.058 449 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 449 E C 1.986 178.624 176.600 0.064 0.000 0.997 449 E CA 0.611 57.047 56.400 0.060 0.000 0.801 449 E CB -0.469 29.273 29.700 0.071 0.000 0.746 449 E HN 0.205 nan 8.360 nan 0.000 0.450 450 L N -0.157 121.087 121.223 0.036 0.000 2.012 450 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 450 L C 2.071 178.991 176.870 0.083 0.000 1.073 450 L CA 1.915 56.796 54.840 0.069 0.000 0.748 450 L CB -0.427 41.631 42.059 -0.003 0.000 0.891 450 L HN 0.231 nan 8.230 nan 0.000 0.431 451 M N -0.656 118.920 119.600 -0.040 0.000 2.476 451 M HA -0.062 4.418 4.480 -0.000 0.000 0.262 451 M C 2.227 178.635 176.300 0.180 0.000 1.079 451 M CA 1.527 56.824 55.300 -0.006 0.000 1.104 451 M CB -1.690 30.865 32.600 -0.074 0.000 1.409 451 M HN 0.608 nan 8.290 nan 0.000 0.467 452 T N -1.114 113.534 114.554 0.157 0.000 2.833 452 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 452 T C 1.600 176.386 174.700 0.144 0.000 1.054 452 T CA 1.402 63.609 62.100 0.178 0.000 1.135 452 T CB -0.427 68.505 68.868 0.107 0.000 0.869 452 T HN 0.364 nan 8.240 nan 0.000 0.466 453 N N 0.401 119.156 118.700 0.091 0.000 2.216 453 N HA 0.013 4.753 4.740 -0.000 0.000 0.183 453 N C 1.545 176.931 175.510 -0.207 0.000 1.017 453 N CA 1.016 54.089 53.050 0.037 0.000 0.861 453 N CB -0.394 38.209 38.487 0.194 0.000 0.986 453 N HN 0.462 nan 8.380 nan 0.000 0.428 454 F N 1.582 121.167 119.950 -0.608 0.000 2.095 454 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 454 F C 1.823 177.247 175.800 -0.627 0.000 1.104 454 F CA 1.483 58.905 58.000 -0.963 0.000 1.232 454 F CB -0.393 38.041 39.000 -0.944 0.000 0.987 454 F HN -0.167 nan 8.300 nan 0.000 0.475 455 F N 0.421 120.302 119.950 -0.114 0.000 2.128 455 F HA 0.013 4.540 4.527 -0.000 0.000 0.295 455 F C 2.615 178.325 175.800 -0.151 0.000 1.100 455 F CA 1.151 59.063 58.000 -0.147 0.000 1.260 455 F CB -1.517 37.474 39.000 -0.015 0.000 1.009 455 F HN 0.048 nan 8.300 nan 0.000 0.476 456 A N -0.336 122.525 122.820 0.069 0.000 1.902 456 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 456 A C 2.222 179.802 177.584 -0.006 0.000 1.181 456 A CA 1.288 53.342 52.037 0.027 0.000 0.623 456 A CB -0.598 18.424 19.000 0.036 0.000 0.818 456 A HN 0.298 nan 8.150 nan 0.000 0.443 457 Q N -0.433 119.350 119.800 -0.028 0.000 2.050 457 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 457 Q C 2.483 178.454 176.000 -0.050 0.000 0.980 457 Q CA 1.665 57.491 55.803 0.038 0.000 0.840 457 Q CB -0.749 28.052 28.738 0.106 0.000 0.898 457 Q HN 0.650 nan 8.270 nan 0.000 0.424 458 A N 1.576 124.290 122.820 -0.177 0.000 1.883 458 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 458 A C 1.790 179.313 177.584 -0.100 0.000 1.186 458 A CA 1.897 53.818 52.037 -0.194 0.000 0.624 458 A CB -0.460 18.362 19.000 -0.296 0.000 0.822 458 A HN 0.245 nan 8.150 nan 0.000 0.444 459 D N -0.052 120.312 120.400 -0.060 0.000 2.117 459 D HA -0.019 4.621 4.640 -0.000 0.000 0.198 459 D C 2.276 178.567 176.300 -0.014 0.000 0.982 459 D CA 1.501 55.485 54.000 -0.026 0.000 0.828 459 D CB -0.517 40.278 40.800 -0.009 0.000 0.967 459 D HN 0.408 nan 8.370 nan 0.000 0.464 460 A N 0.775 123.597 122.820 0.003 0.000 1.908 460 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 460 A C 2.403 180.048 177.584 0.101 0.000 1.181 460 A CA 1.021 53.072 52.037 0.023 0.000 0.627 460 A CB -0.831 18.193 19.000 0.041 0.000 0.818 460 A HN 0.208 nan 8.150 nan 0.000 0.445 461 L N -1.002 120.265 121.223 0.074 0.000 2.046 461 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 461 L C 3.116 179.975 176.870 -0.018 0.000 1.077 461 L CA 1.075 55.896 54.840 -0.031 0.000 0.747 461 L CB -0.519 41.424 42.059 -0.193 0.000 0.896 461 L HN 0.457 nan 8.230 nan 0.000 0.432 462 A N 0.691 123.495 122.820 -0.026 0.000 1.855 462 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 462 A C 2.186 179.780 177.584 0.016 0.000 1.191 462 A CA 1.876 53.904 52.037 -0.015 0.000 0.613 462 A CB -0.632 18.355 19.000 -0.021 0.000 0.829 462 A HN 0.533 nan 8.150 nan 0.000 0.442 463 I N -3.436 117.145 120.570 0.017 0.000 2.584 463 I HA 0.396 4.566 4.170 -0.000 0.000 0.255 463 I C 1.370 177.511 176.117 0.041 0.000 1.145 463 I CA 0.761 62.074 61.300 0.022 0.000 1.462 463 I CB -0.782 37.221 38.000 0.005 0.000 1.102 463 I HN 0.546 nan 8.210 nan 0.000 0.433 464 G N 2.000 110.833 108.800 0.055 0.000 2.601 464 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.261 464 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.261 464 G C -0.216 174.715 174.900 0.053 0.000 1.289 464 G CA 0.456 45.625 45.100 0.114 0.000 0.920 464 G HN 0.800 nan 8.290 nan 0.000 0.571 465 K N -0.005 120.482 120.400 0.146 0.000 2.651 465 K HA 0.523 4.843 4.320 -0.000 0.000 0.259 465 K C 0.466 177.162 176.600 0.161 0.000 1.017 465 K CA 0.121 56.474 56.287 0.109 0.000 0.897 465 K CB 0.774 33.318 32.500 0.073 0.000 1.262 465 K HN 1.197 nan 8.250 nan 0.000 0.460 466 T N 1.002 115.623 114.554 0.111 0.000 2.802 466 T HA -0.009 4.341 4.350 -0.000 0.000 0.305 466 T C 1.155 175.938 174.700 0.139 0.000 1.053 466 T CA -0.197 61.979 62.100 0.127 0.000 1.058 466 T CB 0.458 69.385 68.868 0.099 0.000 0.988 466 T HN 0.571 nan 8.240 nan 0.000 0.539 467 Y N 1.117 121.447 120.300 0.051 0.000 2.207 467 Y HA -0.129 4.421 4.550 -0.000 0.000 0.287 467 Y C 2.491 178.413 175.900 0.037 0.000 1.156 467 Y CA 2.072 60.197 58.100 0.042 0.000 1.182 467 Y CB -0.224 38.252 38.460 0.026 0.000 0.979 467 Y HN 0.701 nan 8.280 nan 0.000 0.521 468 E N 0.183 120.440 120.200 0.096 0.000 2.150 468 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 468 E C 2.069 178.642 176.600 -0.045 0.000 0.985 468 E CA 1.343 57.751 56.400 0.012 0.000 0.814 468 E CB -0.237 29.505 29.700 0.070 0.000 0.752 468 E HN 0.701 nan 8.360 nan 0.000 0.466 469 Q N 0.066 119.855 119.800 -0.018 0.000 2.123 469 Q HA -0.067 4.273 4.340 -0.000 0.000 0.199 469 Q C 2.347 178.317 176.000 -0.050 0.000 0.966 469 Q CA 0.998 56.789 55.803 -0.021 0.000 0.845 469 Q CB 0.062 28.802 28.738 0.003 0.000 0.907 469 Q HN 0.080 nan 8.270 nan 0.000 0.439 470 V N 1.331 121.197 119.914 -0.079 0.000 2.295 470 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 470 V C 2.249 178.237 176.094 -0.177 0.000 1.049 470 V CA 1.906 64.142 62.300 -0.107 0.000 1.024 470 V CB -0.462 31.291 31.823 -0.116 0.000 0.648 470 V HN 0.305 nan 8.190 nan 0.000 0.447 471 K N -0.144 120.077 120.400 -0.298 0.000 2.057 471 K HA -0.253 4.067 4.320 -0.000 0.000 0.207 471 K C 2.245 178.774 176.600 -0.118 0.000 1.049 471 K CA 1.938 58.069 56.287 -0.259 0.000 0.931 471 K CB -0.115 32.196 32.500 -0.314 0.000 0.714 471 K HN 0.581 nan 8.250 nan 0.000 0.440 472 E N 0.598 120.747 120.200 -0.085 0.000 2.077 472 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 472 E C 1.637 178.214 176.600 -0.038 0.000 0.989 472 E CA 1.317 57.689 56.400 -0.046 0.000 0.800 472 E CB 0.122 29.803 29.700 -0.031 0.000 0.746 472 E HN 0.336 nan 8.360 nan 0.000 0.452 473 E N 0.014 120.189 120.200 -0.041 0.000 2.150 473 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 473 E C 1.717 178.301 176.600 -0.027 0.000 0.985 473 E CA 0.730 57.113 56.400 -0.028 0.000 0.814 473 E CB -0.029 29.658 29.700 -0.022 0.000 0.752 473 E HN 0.148 nan 8.360 nan 0.000 0.466 474 N N 0.946 119.622 118.700 -0.042 0.000 2.512 474 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 474 N C 1.109 176.605 175.510 -0.023 0.000 1.073 474 N CA 0.601 53.630 53.050 -0.034 0.000 0.911 474 N CB 0.168 38.625 38.487 -0.050 0.000 0.964 474 N HN 0.186 nan 8.380 nan 0.000 0.447 475 E N -0.301 119.884 120.200 -0.023 0.000 2.160 475 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 475 E C 2.051 178.646 176.600 -0.009 0.000 0.991 475 E CA 1.571 57.963 56.400 -0.014 0.000 0.810 475 E CB -0.003 29.689 29.700 -0.013 0.000 0.742 475 E HN 0.539 nan 8.360 nan 0.000 0.466 476 K N 0.718 121.113 120.400 -0.010 0.000 2.214 476 K HA 0.027 4.347 4.320 -0.000 0.000 0.201 476 K C 1.634 178.232 176.600 -0.005 0.000 1.049 476 K CA 0.844 57.127 56.287 -0.006 0.000 0.978 476 K CB -0.563 31.933 32.500 -0.006 0.000 0.842 476 K HN -0.031 nan 8.250 nan 0.000 0.474 477 N N 0.640 119.337 118.700 -0.006 0.000 2.188 477 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 477 N C -0.141 175.368 175.510 -0.002 0.000 1.018 477 N CA 1.132 54.180 53.050 -0.003 0.000 0.858 477 N CB 0.030 38.516 38.487 -0.002 0.000 0.989 477 N HN 0.540 nan 8.380 nan 0.000 0.426 478 K N -0.344 120.054 120.400 -0.003 0.000 3.071 478 K HA -0.187 4.133 4.320 -0.000 0.000 0.265 478 K C -0.079 176.523 176.600 0.003 0.000 1.060 478 K CA 0.143 56.430 56.287 -0.000 0.000 0.767 478 K CB -1.594 30.906 32.500 0.001 0.000 1.241 478 K HN 0.352 nan 8.250 nan 0.000 0.486 479 M N 0.698 120.300 119.600 0.004 0.000 2.245 479 M HA 0.037 4.517 4.480 -0.000 0.000 0.330 479 M C 0.446 176.755 176.300 0.015 0.000 1.098 479 M CA 0.485 55.790 55.300 0.008 0.000 1.172 479 M CB 0.952 33.559 32.600 0.011 0.000 1.467 479 M HN 0.175 nan 8.290 nan 0.000 0.454 480 S N 4.397 120.108 115.700 0.019 0.000 2.546 480 S HA 0.091 4.561 4.470 -0.000 0.000 0.290 480 S C -1.507 173.119 174.600 0.043 0.000 1.262 480 S CA -1.282 56.934 58.200 0.027 0.000 1.083 480 S CB 0.433 63.648 63.200 0.025 0.000 0.859 480 S HN 0.530 nan 8.310 nan 0.000 0.495 481 P HA -0.183 nan 4.420 nan 0.000 0.218 481 P C 1.280 178.646 177.300 0.110 0.000 1.146 481 P CA 1.014 64.155 63.100 0.069 0.000 0.813 481 P CB -0.010 31.729 31.700 0.065 0.000 0.778 482 E N 0.782 121.040 120.200 0.096 0.000 2.338 482 E HA -0.124 4.226 4.350 -0.000 0.000 0.197 482 E C 1.786 178.476 176.600 0.150 0.000 1.007 482 E CA 0.826 57.292 56.400 0.110 0.000 0.849 482 E CB -1.130 28.617 29.700 0.078 0.000 0.774 482 E HN 0.328 nan 8.360 nan 0.000 0.506 483 L N 0.591 121.904 121.223 0.149 0.000 2.554 483 L HA 0.093 4.433 4.340 -0.000 0.000 0.226 483 L C 2.463 179.487 176.870 0.256 0.000 1.137 483 L CA 0.003 54.974 54.840 0.220 0.000 0.863 483 L CB -0.318 41.795 42.059 0.091 0.000 0.985 483 L HN 0.018 nan 8.230 nan 0.000 0.451 484 L N 0.009 121.344 121.223 0.187 0.000 2.187 484 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 484 L C 2.807 179.804 176.870 0.211 0.000 1.100 484 L CA 1.778 56.706 54.840 0.146 0.000 0.765 484 L CB -1.227 40.835 42.059 0.005 0.000 0.904 484 L HN 0.485 nan 8.230 nan 0.000 0.437 485 T N -4.093 110.610 114.554 0.249 0.000 2.759 485 T HA -0.250 4.100 4.350 -0.000 0.000 0.269 485 T C 1.709 176.408 174.700 -0.001 0.000 1.042 485 T CA 1.262 63.436 62.100 0.123 0.000 1.140 485 T CB -0.637 68.209 68.868 -0.038 0.000 0.864 485 T HN 0.416 nan 8.240 nan 0.000 0.455 486 H N 1.440 120.534 119.070 0.041 0.000 2.518 486 H HA 0.113 4.669 4.556 -0.000 0.000 0.289 486 H C 1.730 177.030 175.328 -0.046 0.000 1.051 486 H CA 0.946 56.988 56.048 -0.010 0.000 1.280 486 H CB 0.091 29.852 29.762 -0.001 0.000 1.380 486 H HN 0.500 nan 8.280 nan 0.000 0.566 487 K N 0.751 121.212 120.400 0.101 0.000 2.358 487 K HA 0.148 4.468 4.320 -0.000 0.000 0.197 487 K C 0.220 176.877 176.600 0.096 0.000 1.025 487 K CA -0.085 56.252 56.287 0.082 0.000 1.104 487 K CB 1.157 33.728 32.500 0.119 0.000 0.855 487 K HN -0.095 nan 8.250 nan 0.000 0.531 488 V N 1.908 121.851 119.914 0.049 0.000 2.614 488 V HA 0.112 4.231 4.120 -0.000 0.000 0.291 488 V C -0.264 175.824 176.094 -0.009 0.000 1.049 488 V CA 0.083 62.452 62.300 0.115 0.000 1.038 488 V CB 0.286 32.190 31.823 0.134 0.000 0.980 488 V HN 0.040 nan 8.190 nan 0.000 0.481 489 F N 3.889 123.879 119.950 0.067 0.000 2.382 489 F HA 0.433 4.960 4.527 0.000 0.000 0.361 489 F C 1.311 177.150 175.800 0.066 0.000 1.109 489 F CA -0.648 57.397 58.000 0.075 0.000 1.031 489 F CB 1.225 40.273 39.000 0.080 0.000 1.234 489 F HN 0.430 nan 8.300 nan 0.000 0.445 490 N N 2.149 120.954 118.700 0.175 0.000 2.364 490 N HA -0.024 4.716 4.740 -0.000 0.000 0.183 490 N C 1.334 176.918 175.510 0.123 0.000 1.022 490 N CA 1.051 54.175 53.050 0.123 0.000 0.883 490 N CB -0.113 38.419 38.487 0.075 0.000 0.965 490 N HN 0.900 nan 8.380 nan 0.000 0.438 491 G N 1.381 110.271 108.800 0.149 0.000 2.645 491 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.246 491 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.246 491 G C 0.016 174.953 174.900 0.061 0.000 1.322 491 G CA 0.113 45.276 45.100 0.104 0.000 0.898 491 G HN 0.310 nan 8.290 nan 0.000 0.573 492 N N -1.193 117.532 118.700 0.042 0.000 2.741 492 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 492 N C 0.437 175.940 175.510 -0.012 0.000 1.112 492 N CA 1.868 54.938 53.050 0.034 0.000 0.750 492 N CB -0.664 37.868 38.487 0.076 0.000 1.119 492 N HN 0.854 nan 8.380 nan 0.000 0.561 493 R N 1.112 121.579 120.500 -0.055 0.000 2.196 493 R HA 0.285 4.625 4.340 -0.000 0.000 0.340 493 R C -2.030 174.173 176.300 -0.161 0.000 1.043 493 R CA -1.223 54.792 56.100 -0.141 0.000 0.883 493 R CB 1.012 31.215 30.300 -0.163 0.000 1.078 493 R HN 0.065 nan 8.270 nan 0.000 0.462 494 P HA 0.092 nan 4.420 nan 0.000 0.277 494 P C -0.927 176.268 177.300 -0.174 0.000 1.240 494 P CA -0.380 62.616 63.100 -0.173 0.000 0.798 494 P CB 1.568 33.162 31.700 -0.177 0.000 0.979 495 S N -0.180 115.427 115.700 -0.155 0.000 2.550 495 S HA 0.595 5.065 4.470 -0.000 0.000 0.270 495 S C -0.911 173.621 174.600 -0.114 0.000 1.145 495 S CA -0.620 57.492 58.200 -0.147 0.000 0.852 495 S CB 1.141 64.231 63.200 -0.183 0.000 1.119 495 S HN 0.312 nan 8.310 nan 0.000 0.465 496 T N 2.673 117.178 114.554 -0.081 0.000 2.807 496 T HA 0.576 4.926 4.350 -0.000 0.000 0.279 496 T C -0.695 173.975 174.700 -0.050 0.000 0.993 496 T CA -0.570 61.509 62.100 -0.034 0.000 0.970 496 T CB 0.687 69.569 68.868 0.023 0.000 0.950 496 T HN 0.588 nan 8.240 nan 0.000 0.441 497 L N 3.843 125.039 121.223 -0.045 0.000 2.313 497 L HA 0.582 4.922 4.340 -0.000 0.000 0.283 497 L C -0.690 176.243 176.870 0.105 0.000 1.013 497 L CA -0.844 53.968 54.840 -0.047 0.000 0.816 497 L CB 1.314 43.272 42.059 -0.169 0.000 1.236 497 L HN 0.381 nan 8.230 nan 0.000 0.419 498 L N 5.040 126.366 121.223 0.171 0.000 2.319 498 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 498 L C -0.977 175.899 176.870 0.011 0.000 1.005 498 L CA -0.542 54.344 54.840 0.076 0.000 0.828 498 L CB 1.987 44.075 42.059 0.048 0.000 1.227 498 L HN 0.385 nan 8.230 nan 0.000 0.415 499 L N 4.446 125.636 121.223 -0.055 0.000 2.342 499 L HA 0.588 4.928 4.340 -0.000 0.000 0.276 499 L C -1.063 175.700 176.870 -0.178 0.000 0.997 499 L CA 0.099 54.852 54.840 -0.146 0.000 0.838 499 L CB 0.973 43.018 42.059 -0.023 0.000 1.224 499 L HN 0.184 nan 8.230 nan 0.000 0.416 500 F N 2.484 122.295 119.950 -0.231 0.000 2.450 500 F HA 0.366 4.893 4.527 -0.000 0.000 0.328 500 F C 1.375 177.231 175.800 0.093 0.000 1.068 500 F CA -0.361 57.642 58.000 0.005 0.000 1.007 500 F CB 1.075 40.061 39.000 -0.024 0.000 1.251 500 F HN 0.655 nan 8.300 nan 0.000 0.492 501 D N -0.201 120.432 120.400 0.389 0.000 2.103 501 D HA -0.087 4.553 4.640 -0.000 0.000 0.199 501 D C 0.147 176.697 176.300 0.416 0.000 0.978 501 D CA 1.070 55.268 54.000 0.329 0.000 0.829 501 D CB 0.036 41.007 40.800 0.285 0.000 0.981 501 D HN 0.623 nan 8.370 nan 0.000 0.464 502 E N -1.285 119.145 120.200 0.383 0.000 2.390 502 E HA 0.374 4.724 4.350 -0.000 0.000 0.277 502 E C -1.793 174.784 176.600 -0.038 0.000 0.939 502 E CA -0.925 55.599 56.400 0.207 0.000 0.769 502 E CB 1.777 31.571 29.700 0.157 0.000 1.251 502 E HN 0.004 nan 8.360 nan 0.000 0.450 503 L N 4.687 125.591 121.223 -0.532 0.000 2.352 503 L HA 0.362 4.702 4.340 -0.000 0.000 0.272 503 L C -0.999 175.534 176.870 -0.561 0.000 1.109 503 L CA -0.106 54.252 54.840 -0.804 0.000 0.952 503 L CB -0.662 40.431 42.059 -1.611 0.000 1.314 503 L HN 0.513 nan 8.230 nan 0.000 0.427 504 N N 1.751 120.106 118.700 -0.575 0.000 2.741 504 N HA 0.336 5.076 4.740 -0.000 0.000 0.310 504 N C 0.622 175.801 175.510 -0.552 0.000 1.295 504 N CA -0.604 51.874 53.050 -0.953 0.000 0.893 504 N CB 0.010 38.144 38.487 -0.588 0.000 1.247 504 N HN 0.132 nan 8.380 nan 0.000 0.596 505 F N -1.274 118.490 119.950 -0.311 0.000 2.134 505 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 505 F C 2.153 178.007 175.800 0.091 0.000 1.097 505 F CA 1.387 59.363 58.000 -0.040 0.000 1.264 505 F CB -0.515 38.502 39.000 0.028 0.000 1.001 505 F HN 0.579 nan 8.300 nan 0.000 0.479 506 Y N 0.776 121.160 120.300 0.140 0.000 2.145 506 Y HA -0.275 4.275 4.550 -0.000 0.000 0.286 506 Y C 2.562 178.482 175.900 0.033 0.000 1.145 506 Y CA 2.266 60.418 58.100 0.087 0.000 1.148 506 Y CB -0.849 37.663 38.460 0.086 0.000 0.981 506 Y HN -0.066 nan 8.280 nan 0.000 0.507 507 T N -0.664 113.929 114.554 0.064 0.000 2.788 507 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 507 T C 2.026 176.594 174.700 -0.220 0.000 1.044 507 T CA 1.456 63.528 62.100 -0.047 0.000 1.139 507 T CB -1.038 67.825 68.868 -0.008 0.000 0.867 507 T HN 0.611 nan 8.240 nan 0.000 0.454 508 C N 1.333 120.527 119.300 -0.176 0.000 2.422 508 C HA 0.064 4.524 4.460 -0.000 0.000 0.279 508 C C 3.008 177.986 174.990 -0.020 0.000 1.305 508 C CA 0.762 59.737 59.018 -0.071 0.000 1.757 508 C CB -1.490 26.235 27.740 -0.025 0.000 1.962 508 C HN 0.694 nan 8.230 nan 0.000 0.499 509 G N 0.201 108.794 108.800 -0.345 0.000 2.404 509 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.215 509 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.215 509 G C 1.595 176.287 174.900 -0.347 0.000 1.174 509 G CA 0.870 45.476 45.100 -0.824 0.000 0.780 509 G HN 0.552 nan 8.290 nan 0.000 0.537 510 L N -0.344 120.730 121.223 -0.248 0.000 2.012 510 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 510 L C 2.736 179.644 176.870 0.064 0.000 1.073 510 L CA 0.799 55.624 54.840 -0.024 0.000 0.748 510 L CB -0.460 41.678 42.059 0.131 0.000 0.891 510 L HN 0.243 nan 8.230 nan 0.000 0.431 511 L N -0.285 120.941 121.223 0.006 0.000 2.017 511 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 511 L C 2.330 179.377 176.870 0.294 0.000 1.073 511 L CA 1.554 56.447 54.840 0.088 0.000 0.745 511 L CB -0.484 41.465 42.059 -0.183 0.000 0.894 511 L HN 0.125 nan 8.230 nan 0.000 0.432 512 L N -1.110 120.301 121.223 0.314 0.000 1.994 512 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 512 L C 2.686 179.743 176.870 0.312 0.000 1.071 512 L CA 2.248 57.347 54.840 0.431 0.000 0.745 512 L CB -1.049 41.291 42.059 0.469 0.000 0.892 512 L HN 0.433 nan 8.230 nan 0.000 0.431 513 S N -1.030 114.782 115.700 0.187 0.000 2.399 513 S HA -0.172 4.298 4.470 -0.000 0.000 0.231 513 S C 2.054 176.737 174.600 0.138 0.000 1.022 513 S CA 1.350 59.655 58.200 0.175 0.000 0.983 513 S CB -0.609 62.675 63.200 0.140 0.000 0.803 513 S HN 0.448 nan 8.310 nan 0.000 0.480 514 L N 0.659 121.970 121.223 0.147 0.000 2.012 514 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 514 L C 1.909 178.751 176.870 -0.047 0.000 1.073 514 L CA 2.055 56.932 54.840 0.061 0.000 0.748 514 L CB -1.096 41.024 42.059 0.102 0.000 0.891 514 L HN 0.406 nan 8.230 nan 0.000 0.431 515 Y N 0.123 120.468 120.300 0.076 0.000 2.263 515 Y HA -0.111 4.439 4.550 -0.000 0.000 0.292 515 Y C 2.566 178.458 175.900 -0.013 0.000 1.130 515 Y CA 1.574 59.690 58.100 0.026 0.000 1.179 515 Y CB -0.264 38.205 38.460 0.016 0.000 0.998 515 Y HN 0.317 nan 8.280 nan 0.000 0.532 516 E N -0.502 119.803 120.200 0.175 0.000 2.077 516 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 516 E C 2.273 178.966 176.600 0.155 0.000 0.989 516 E CA 1.573 58.103 56.400 0.217 0.000 0.800 516 E CB -0.197 29.699 29.700 0.328 0.000 0.746 516 E HN 0.322 nan 8.360 nan 0.000 0.452 517 S N 0.701 116.356 115.700 -0.075 0.000 2.356 517 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 517 S C 1.866 176.148 174.600 -0.530 0.000 1.032 517 S CA 0.799 58.615 58.200 -0.640 0.000 1.005 517 S CB -0.209 62.325 63.200 -1.110 0.000 0.867 517 S HN 0.206 nan 8.310 nan 0.000 0.449 518 R N 1.260 121.585 120.500 -0.291 0.000 2.083 518 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 518 R C 1.963 178.245 176.300 -0.031 0.000 1.137 518 R CA 1.347 57.353 56.100 -0.156 0.000 0.951 518 R CB -0.635 29.536 30.300 -0.215 0.000 0.851 518 R HN 0.316 nan 8.270 nan 0.000 0.434 519 I N 0.866 121.433 120.570 -0.004 0.000 2.226 519 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 519 I C 2.565 178.708 176.117 0.044 0.000 1.100 519 I CA 0.774 62.087 61.300 0.022 0.000 1.374 519 I CB -1.101 36.886 38.000 -0.022 0.000 1.057 519 I HN -0.017 nan 8.210 nan 0.000 0.413 520 V N 1.291 121.290 119.914 0.141 0.000 2.295 520 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 520 V C 2.805 179.004 176.094 0.175 0.000 1.049 520 V CA 1.827 64.239 62.300 0.185 0.000 1.024 520 V CB -1.084 31.029 31.823 0.484 0.000 0.648 520 V HN 0.454 nan 8.190 nan 0.000 0.447 521 A N -0.665 122.355 122.820 0.333 0.000 1.902 521 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 521 A C 2.256 179.971 177.584 0.218 0.000 1.181 521 A CA 2.061 54.335 52.037 0.395 0.000 0.623 521 A CB -0.532 18.699 19.000 0.385 0.000 0.818 521 A HN 0.609 nan 8.150 nan 0.000 0.443 522 E N -0.742 119.534 120.200 0.127 0.000 2.110 522 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 522 E C 2.060 178.701 176.600 0.068 0.000 0.988 522 E CA 0.857 57.324 56.400 0.111 0.000 0.804 522 E CB -0.365 29.415 29.700 0.133 0.000 0.745 522 E HN 0.554 nan 8.360 nan 0.000 0.458 523 G N 0.075 108.845 108.800 -0.051 0.000 2.418 523 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 523 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 523 G C 1.140 175.989 174.900 -0.085 0.000 1.158 523 G CA 0.653 45.658 45.100 -0.159 0.000 0.771 523 G HN 0.204 nan 8.290 nan 0.000 0.545 524 F N 0.663 120.660 119.950 0.079 0.000 2.206 524 F HA 0.182 4.709 4.527 -0.000 0.000 0.298 524 F C 2.604 178.408 175.800 0.006 0.000 1.090 524 F CA 0.235 58.272 58.000 0.061 0.000 1.323 524 F CB -0.553 38.491 39.000 0.074 0.000 1.028 524 F HN 0.026 nan 8.300 nan 0.000 0.492 525 L N -0.631 120.675 121.223 0.138 0.000 2.046 525 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 525 L C 2.182 179.031 176.870 -0.036 0.000 1.077 525 L CA 1.166 55.972 54.840 -0.057 0.000 0.747 525 L CB -0.714 41.186 42.059 -0.265 0.000 0.896 525 L HN 0.151 nan 8.230 nan 0.000 0.432 526 L N -0.591 120.698 121.223 0.110 0.000 2.478 526 L HA -0.037 4.303 4.340 -0.000 0.000 0.223 526 L C 0.663 177.716 176.870 0.305 0.000 1.140 526 L CA 0.061 55.065 54.840 0.272 0.000 0.842 526 L CB -0.390 41.866 42.059 0.328 0.000 0.953 526 L HN 0.415 nan 8.230 nan 0.000 0.452 527 N N 0.773 119.606 118.700 0.222 0.000 2.740 527 N HA -0.209 4.531 4.740 -0.000 0.000 0.248 527 N C -0.422 175.216 175.510 0.213 0.000 1.062 527 N CA 0.729 53.915 53.050 0.227 0.000 0.704 527 N CB -1.080 37.532 38.487 0.208 0.000 0.968 527 N HN 0.570 nan 8.380 nan 0.000 0.547 528 I N -4.362 116.300 120.570 0.154 0.000 3.067 528 I HA 0.580 4.750 4.170 -0.000 0.000 0.312 528 I C 0.247 176.376 176.117 0.020 0.000 1.073 528 I CA -1.210 60.146 61.300 0.094 0.000 1.016 528 I CB 1.540 39.586 38.000 0.076 0.000 1.227 528 I HN -0.021 nan 8.210 nan 0.000 0.456 529 N N 1.739 120.450 118.700 0.020 0.000 2.437 529 N HA 0.247 4.987 4.740 -0.000 0.000 0.243 529 N C 0.103 175.493 175.510 -0.199 0.000 1.041 529 N CA -0.077 52.967 53.050 -0.010 0.000 0.940 529 N CB 0.973 39.538 38.487 0.130 0.000 1.133 529 N HN 0.627 nan 8.380 nan 0.000 0.506 530 S N 2.510 117.842 115.700 -0.613 0.000 2.561 530 S HA 0.066 4.536 4.470 -0.000 0.000 0.225 530 S C 0.696 174.898 174.600 -0.663 0.000 0.977 530 S CA 0.411 58.150 58.200 -0.768 0.000 0.926 530 S CB -0.236 62.257 63.200 -1.177 0.000 0.769 530 S HN 0.635 nan 8.310 nan 0.000 0.533 531 F N 1.413 121.397 119.950 0.058 0.000 2.721 531 F HA 0.242 4.769 4.527 0.000 0.000 0.301 531 F C 0.783 176.600 175.800 0.029 0.000 1.096 531 F CA -0.750 57.296 58.000 0.077 0.000 1.308 531 F CB 0.150 39.179 39.000 0.049 0.000 1.086 531 F HN 0.119 nan 8.300 nan 0.000 0.587 532 D N -0.344 120.099 120.400 0.071 0.000 2.569 532 D HA 0.315 4.955 4.640 -0.000 0.000 0.266 532 D C -0.153 176.041 176.300 -0.176 0.000 1.164 532 D CA -0.667 53.260 54.000 -0.123 0.000 1.071 532 D CB 0.558 41.267 40.800 -0.151 0.000 1.183 532 D HN 0.022 nan 8.370 nan 0.000 0.613 533 Q N -0.777 118.800 119.800 -0.372 0.000 3.311 533 Q HA 0.110 4.450 4.340 -0.000 0.000 0.254 533 Q C -0.741 175.139 176.000 -0.200 0.000 0.716 533 Q CA -0.532 55.148 55.803 -0.205 0.000 0.965 533 Q CB -1.368 27.293 28.738 -0.128 0.000 1.538 533 Q HN 0.757 nan 8.270 nan 0.000 0.372 534 W N 0.917 122.233 121.300 0.027 0.000 2.465 534 W HA 0.079 4.739 4.660 -0.000 0.000 0.268 534 W C 1.970 178.496 176.519 0.013 0.000 1.242 534 W CA 1.072 58.431 57.345 0.022 0.000 1.248 534 W CB 0.152 29.625 29.460 0.020 0.000 1.118 534 W HN 0.597 nan 8.180 nan 0.000 0.587 535 G N 0.416 109.326 108.800 0.184 0.000 2.625 535 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 535 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 535 G C 1.306 176.250 174.900 0.074 0.000 1.132 535 G CA 1.153 46.319 45.100 0.110 0.000 0.782 535 G HN 0.313 nan 8.290 nan 0.000 0.538 536 V N -3.147 116.806 119.914 0.065 0.000 3.506 536 V HA 0.248 4.368 4.120 -0.000 0.000 0.263 536 V C 1.851 177.980 176.094 0.057 0.000 1.203 536 V CA 1.030 63.355 62.300 0.041 0.000 1.133 536 V CB 0.124 31.953 31.823 0.011 0.000 0.802 536 V HN 0.316 nan 8.190 nan 0.000 0.459 537 E N 0.440 120.698 120.200 0.096 0.000 2.028 537 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 537 E C 2.055 178.700 176.600 0.074 0.000 0.988 537 E CA 1.594 58.056 56.400 0.104 0.000 0.799 537 E CB -0.180 29.621 29.700 0.168 0.000 0.755 537 E HN 0.534 nan 8.360 nan 0.000 0.447 538 L N 0.793 122.056 121.223 0.067 0.000 2.012 538 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 538 L C 2.190 179.081 176.870 0.036 0.000 1.073 538 L CA 2.324 57.191 54.840 0.046 0.000 0.748 538 L CB -0.963 41.120 42.059 0.039 0.000 0.891 538 L HN 0.134 nan 8.230 nan 0.000 0.431 539 G N -1.140 107.679 108.800 0.032 0.000 2.418 539 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.217 539 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.217 539 G C 1.743 176.655 174.900 0.020 0.000 1.158 539 G CA 0.872 45.985 45.100 0.021 0.000 0.771 539 G HN 0.425 nan 8.290 nan 0.000 0.545 540 K N -0.043 120.373 120.400 0.027 0.000 2.026 540 K HA -0.043 4.277 4.320 -0.000 0.000 0.208 540 K C 2.637 179.255 176.600 0.030 0.000 1.048 540 K CA 1.269 57.573 56.287 0.027 0.000 0.929 540 K CB -0.286 32.235 32.500 0.034 0.000 0.713 540 K HN 0.175 nan 8.250 nan 0.000 0.439 541 V N 1.930 121.866 119.914 0.036 0.000 2.255 541 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 541 V C 2.333 178.448 176.094 0.035 0.000 1.051 541 V CA 1.781 64.103 62.300 0.036 0.000 1.018 541 V CB -0.403 31.442 31.823 0.036 0.000 0.641 541 V HN 0.345 nan 8.190 nan 0.000 0.445 542 L N -0.088 121.155 121.223 0.034 0.000 2.141 542 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 542 L C 2.684 179.574 176.870 0.034 0.000 1.094 542 L CA 1.358 56.223 54.840 0.043 0.000 0.763 542 L CB -0.804 41.279 42.059 0.040 0.000 0.908 542 L HN 0.378 nan 8.230 nan 0.000 0.437 543 A N 0.354 123.179 122.820 0.008 0.000 1.930 543 A HA -0.241 4.078 4.320 -0.000 0.000 0.217 543 A C 2.375 179.950 177.584 -0.015 0.000 1.175 543 A CA 1.837 53.861 52.037 -0.023 0.000 0.627 543 A CB -0.354 18.637 19.000 -0.016 0.000 0.815 543 A HN 0.314 nan 8.150 nan 0.000 0.443 544 K N -0.012 120.400 120.400 0.021 0.000 2.097 544 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 544 K C 2.022 178.666 176.600 0.073 0.000 1.049 544 K CA 1.702 58.014 56.287 0.041 0.000 0.933 544 K CB -0.171 32.356 32.500 0.045 0.000 0.717 544 K HN 0.610 nan 8.250 nan 0.000 0.442 545 E N -0.105 120.153 120.200 0.096 0.000 2.077 545 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 545 E C 1.756 178.485 176.600 0.216 0.000 0.989 545 E CA 1.370 57.884 56.400 0.191 0.000 0.800 545 E CB 0.144 29.941 29.700 0.162 0.000 0.746 545 E HN 0.172 nan 8.360 nan 0.000 0.452 546 V N 1.282 121.224 119.914 0.048 0.000 2.358 546 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 546 V C 2.604 178.446 176.094 -0.420 0.000 1.047 546 V CA 1.976 64.116 62.300 -0.267 0.000 1.035 546 V CB -0.662 30.857 31.823 -0.507 0.000 0.658 546 V HN 0.286 nan 8.190 nan 0.000 0.452 547 R N 0.529 120.917 120.500 -0.186 0.000 2.083 547 R HA -0.200 4.140 4.340 -0.000 0.000 0.237 547 R C 2.248 178.595 176.300 0.079 0.000 1.137 547 R CA 2.066 58.146 56.100 -0.034 0.000 0.951 547 R CB -0.309 30.012 30.300 0.036 0.000 0.851 547 R HN 0.553 nan 8.270 nan 0.000 0.434 548 N N -0.102 118.681 118.700 0.138 0.000 2.120 548 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 548 N C 1.593 177.240 175.510 0.228 0.000 1.024 548 N CA 1.217 54.408 53.050 0.235 0.000 0.852 548 N CB -0.597 38.096 38.487 0.345 0.000 1.003 548 N HN 0.309 nan 8.380 nan 0.000 0.424 549 Y N 1.064 121.298 120.300 -0.110 0.000 2.181 549 Y HA -0.095 4.455 4.550 -0.000 0.000 0.288 549 Y C 2.156 178.072 175.900 0.026 0.000 1.146 549 Y CA 1.389 59.255 58.100 -0.389 0.000 1.164 549 Y CB -0.658 37.452 38.460 -0.584 0.000 0.982 549 Y HN -0.008 nan 8.280 nan 0.000 0.515 550 F N -0.233 119.680 119.950 -0.061 0.000 2.134 550 F HA -0.300 4.227 4.527 -0.000 0.000 0.299 550 F C 2.433 178.182 175.800 -0.085 0.000 1.097 550 F CA 0.952 58.906 58.000 -0.077 0.000 1.264 550 F CB -0.456 38.562 39.000 0.029 0.000 1.001 550 F HN 0.187 nan 8.300 nan 0.000 0.479 551 N N 0.897 119.700 118.700 0.171 0.000 2.069 551 N HA -0.196 4.544 4.740 -0.000 0.000 0.191 551 N C 1.166 176.703 175.510 0.045 0.000 1.031 551 N CA 2.089 55.198 53.050 0.099 0.000 0.852 551 N CB -0.442 38.111 38.487 0.110 0.000 1.018 551 N HN 0.069 nan 8.380 nan 0.000 0.423 552 D N -1.068 119.355 120.400 0.038 0.000 2.117 552 D HA -0.083 4.557 4.640 -0.000 0.000 0.197 552 D C 1.730 177.989 176.300 -0.067 0.000 0.987 552 D CA 1.374 55.385 54.000 0.019 0.000 0.829 552 D CB -0.762 40.103 40.800 0.108 0.000 0.961 552 D HN 0.341 nan 8.370 nan 0.000 0.460 553 T N 0.993 115.430 114.554 -0.195 0.000 2.770 553 T HA -0.052 4.298 4.350 -0.000 0.000 0.263 553 T C 1.906 176.535 174.700 -0.119 0.000 1.039 553 T CA 0.613 62.580 62.100 -0.222 0.000 1.142 553 T CB 0.100 68.712 68.868 -0.427 0.000 0.868 553 T HN 0.013 nan 8.240 nan 0.000 0.435 554 R N 1.865 122.310 120.500 -0.092 0.000 2.127 554 R HA 0.062 4.402 4.340 -0.000 0.000 0.238 554 R C 1.703 177.973 176.300 -0.050 0.000 1.134 554 R CA 0.924 56.978 56.100 -0.077 0.000 0.975 554 R CB -0.626 29.635 30.300 -0.065 0.000 0.865 554 R HN 0.444 nan 8.270 nan 0.000 0.447 555 N N 0.670 119.352 118.700 -0.031 0.000 2.299 555 N HA -0.059 4.681 4.740 -0.000 0.000 0.187 555 N C 0.369 175.871 175.510 -0.013 0.000 1.099 555 N CA 0.805 53.846 53.050 -0.015 0.000 0.867 555 N CB 0.396 38.884 38.487 0.001 0.000 0.974 555 N HN 0.276 nan 8.380 nan 0.000 0.477 556 Q N -0.335 119.452 119.800 -0.021 0.000 2.452 556 Q HA -0.164 4.176 4.340 -0.000 0.000 0.318 556 Q C 0.047 176.051 176.000 0.006 0.000 1.386 556 Q CA 1.714 57.510 55.803 -0.012 0.000 0.872 556 Q CB -2.981 25.750 28.738 -0.012 0.000 1.151 556 Q HN 0.722 nan 8.270 nan 0.000 0.417 557 K N -1.162 119.247 120.400 0.015 0.000 2.578 557 K HA 0.881 5.201 4.320 -0.000 0.000 0.250 557 K C 0.048 176.677 176.600 0.048 0.000 0.955 557 K CA 0.301 56.605 56.287 0.028 0.000 0.825 557 K CB 0.783 33.298 32.500 0.026 0.000 1.151 557 K HN 1.840 nan 8.250 nan 0.000 0.432 558 K N 0.647 121.079 120.400 0.052 0.000 2.380 558 K HA 0.656 4.976 4.320 -0.000 0.000 0.267 558 K C 0.701 177.341 176.600 0.066 0.000 0.990 558 K CA 0.368 56.697 56.287 0.070 0.000 0.946 558 K CB 0.307 32.842 32.500 0.057 0.000 0.937 558 K HN 1.793 nan 8.250 nan 0.000 0.491 562 T N 1.055 115.253 114.554 -0.593 0.000 2.841 562 T HA 0.649 4.999 4.350 -0.000 0.000 0.283 562 T C -1.803 172.460 174.700 -0.728 0.000 1.000 562 T CA -0.316 61.457 62.100 -0.545 0.000 0.977 562 T CB 0.388 69.097 68.868 -0.264 0.000 0.979 562 T HN 0.316 nan 8.240 nan 0.000 0.446 563 Y N 4.088 124.272 120.300 -0.195 0.000 2.376 563 Y HA 0.494 5.044 4.550 -0.000 0.000 0.340 563 Y C 0.520 176.128 175.900 -0.487 0.000 0.965 563 Y CA -1.544 56.266 58.100 -0.484 0.000 1.078 563 Y CB 1.396 39.514 38.460 -0.571 0.000 1.193 563 Y HN 0.617 nan 8.280 nan 0.000 0.452 564 N N 2.473 120.899 118.700 -0.456 0.000 2.790 564 N HA 0.220 4.960 4.740 -0.000 0.000 0.256 564 N C -1.614 173.733 175.510 -0.273 0.000 1.409 564 N CA -0.259 52.628 53.050 -0.272 0.000 0.799 564 N CB 0.044 38.442 38.487 -0.148 0.000 1.170 564 N HN 0.241 nan 8.380 nan 0.000 0.507 565 F N 1.505 121.428 119.950 -0.046 0.000 2.389 565 F HA 0.281 4.808 4.527 -0.000 0.000 0.337 565 F C 1.407 177.177 175.800 -0.050 0.000 1.112 565 F CA -0.830 57.123 58.000 -0.078 0.000 1.192 565 F CB 0.600 39.505 39.000 -0.159 0.000 1.185 565 F HN 0.376 nan 8.300 nan 0.000 0.552 566 N N 0.815 119.614 118.700 0.165 0.000 2.317 566 N HA 0.010 4.750 4.740 -0.000 0.000 0.245 566 N C 0.619 176.170 175.510 0.069 0.000 1.294 566 N CA -0.231 52.869 53.050 0.082 0.000 0.924 566 N CB 0.392 38.912 38.487 0.055 0.000 1.186 566 N HN 0.460 nan 8.380 nan 0.000 0.495 567 E N -0.089 120.137 120.200 0.044 0.000 2.118 567 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 567 E C 1.586 178.201 176.600 0.025 0.000 0.992 567 E CA 1.214 57.635 56.400 0.035 0.000 0.804 567 E CB -0.496 29.219 29.700 0.025 0.000 0.741 567 E HN 0.659 nan 8.360 nan 0.000 0.458 568 S N 0.359 116.070 115.700 0.018 0.000 2.357 568 S HA -0.079 4.391 4.470 -0.000 0.000 0.221 568 S C 2.116 176.713 174.600 -0.005 0.000 1.031 568 S CA 1.404 59.608 58.200 0.007 0.000 0.982 568 S CB -0.324 62.878 63.200 0.004 0.000 0.853 568 S HN 0.287 nan 8.310 nan 0.000 0.458 569 T N 2.567 117.109 114.554 -0.020 0.000 2.759 569 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 569 T C 1.725 176.352 174.700 -0.123 0.000 1.042 569 T CA 1.174 63.217 62.100 -0.094 0.000 1.140 569 T CB -0.221 68.571 68.868 -0.126 0.000 0.864 569 T HN 0.386 nan 8.240 nan 0.000 0.455 570 K N 0.469 120.842 120.400 -0.045 0.000 2.097 570 K HA 0.005 4.325 4.320 -0.000 0.000 0.206 570 K C 2.215 178.827 176.600 0.021 0.000 1.049 570 K CA 1.115 57.392 56.287 -0.016 0.000 0.933 570 K CB -0.321 32.208 32.500 0.049 0.000 0.717 570 K HN 0.358 nan 8.250 nan 0.000 0.442 571 I N 0.675 121.262 120.570 0.028 0.000 2.163 571 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 571 I C 2.062 178.229 176.117 0.084 0.000 1.081 571 I CA 1.030 62.358 61.300 0.048 0.000 1.353 571 I CB -0.185 37.832 38.000 0.027 0.000 1.054 571 I HN 0.035 nan 8.210 nan 0.000 0.407 572 L N 0.090 121.356 121.223 0.072 0.000 2.093 572 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 572 L C 2.340 179.317 176.870 0.179 0.000 1.085 572 L CA 1.578 56.499 54.840 0.135 0.000 0.755 572 L CB -0.557 41.553 42.059 0.086 0.000 0.904 572 L HN 0.180 nan 8.230 nan 0.000 0.435 573 L N -0.809 120.470 121.223 0.093 0.000 2.046 573 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 573 L C 2.279 179.290 176.870 0.235 0.000 1.077 573 L CA 0.918 55.857 54.840 0.165 0.000 0.747 573 L CB -0.618 41.442 42.059 0.002 0.000 0.896 573 L HN 0.363 nan 8.230 nan 0.000 0.432 574 N N -0.617 118.191 118.700 0.181 0.000 2.120 574 N HA -0.243 4.497 4.740 -0.000 0.000 0.188 574 N C 1.743 177.360 175.510 0.178 0.000 1.024 574 N CA 1.329 54.480 53.050 0.168 0.000 0.852 574 N CB -0.394 38.175 38.487 0.138 0.000 1.003 574 N HN 0.311 nan 8.380 nan 0.000 0.424 575 Y N 0.586 120.928 120.300 0.070 0.000 2.163 575 Y HA -0.204 4.346 4.550 0.000 0.000 0.288 575 Y C 2.381 178.304 175.900 0.038 0.000 1.136 575 Y CA 1.156 59.284 58.100 0.046 0.000 1.147 575 Y CB -0.975 37.514 38.460 0.049 0.000 0.987 575 Y HN 0.076 nan 8.280 nan 0.000 0.509 576 Y N 0.392 120.627 120.300 -0.109 0.000 2.165 576 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 576 Y C 1.828 177.579 175.900 -0.249 0.000 1.155 576 Y CA 2.143 60.107 58.100 -0.226 0.000 1.164 576 Y CB -0.462 37.955 38.460 -0.072 0.000 0.978 576 Y HN 0.182 nan 8.280 nan 0.000 0.513 577 L N -0.150 120.970 121.223 -0.172 0.000 2.558 577 L HA 0.075 4.415 4.340 -0.000 0.000 0.225 577 L C 1.184 177.935 176.870 -0.198 0.000 1.128 577 L CA 0.275 54.985 54.840 -0.218 0.000 0.868 577 L CB -0.400 41.638 42.059 -0.034 0.000 1.006 577 L HN 0.168 nan 8.230 nan 0.000 0.454 578 S N 0.000 115.596 115.700 -0.173 0.000 2.498 578 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 578 S CA 0.000 58.129 58.200 -0.119 0.000 1.107 578 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 578 S HN 0.000 nan 8.310 nan 0.000 0.517