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 2aw5_1_A DATA FIRST_RESID 15 DATA SEQUENCE GYLLTRNPHL NKDLAFTLEE RQQLNIHGLL PPSFNSQEIQ VLRVVKNFEH DATA SEQUENCE LNSDFDRYLL LMDLQDRNEK LFYRVLTSXI EKFMPIVYTP TVGLACQQYS DATA SEQUENCE LVFRKPRGLF ITIHDRGHIA SVLNAWPEDV IKAIVVTDGE RILGLGDLGC DATA SEQUENCE NGMGIPVGKL ALYTACGGMN PQECLPVILD VGTENEELLK DPLYIGLRQR DATA SEQUENCE RVRGSEYDDF LDEFMEAVSS KYGMNCLIQF EDFANVNAFR LLNKYRNQYC DATA SEQUENCE TFNDDIQGTA SVAVAGLLAA LRITKNKLSD QTILFQGAGE AALGIAHLIV DATA SEQUENCE MALEKEGLPK EKAIKKIWLV DSKGLIVKGX XXXXQEKEKF AHEHEEMKNL DATA SEQUENCE EAIVQEIKPT ALIGVAAIGG AFSEQILKDM AAFNERPIIF ALSNPTSKAE DATA SEQUENCE CSAEQCYKIT KGRAIFASGS PFDPVTLPNG QTLYPGQGNN SYVFPGVALG DATA SEQUENCE VVACGLRQIT DNIFLTTAEV IAQQVSDKHL EEGRLYPPLN TIRDVSLKIA DATA SEQUENCE EKIVKDAYQE KTATVYPEPQ NKEAFVRSQM YSTDYDQ 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 15 G HA2 0.000 nan 3.960 nan 0.000 0.244 15 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 15 G C 0.000 174.898 174.900 -0.003 0.000 0.946 15 G CA 0.000 45.081 45.100 -0.032 0.000 0.502 16 Y N 1.970 122.233 120.300 -0.060 0.000 2.228 16 Y HA -0.101 4.449 4.550 -0.000 0.000 0.285 16 Y C 2.554 178.436 175.900 -0.030 0.000 1.178 16 Y CA 2.423 60.496 58.100 -0.045 0.000 1.202 16 Y CB -0.244 38.196 38.460 -0.034 0.000 0.974 16 Y HN 0.202 nan 8.280 nan 0.000 0.527 17 L N -0.649 120.526 121.223 -0.079 0.000 2.046 17 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 17 L C 2.593 179.367 176.870 -0.160 0.000 1.077 17 L CA 1.366 56.116 54.840 -0.149 0.000 0.747 17 L CB -0.771 41.276 42.059 -0.021 0.000 0.896 17 L HN 0.329 nan 8.230 nan 0.000 0.432 18 L N -0.338 120.829 121.223 -0.093 0.000 1.989 18 L HA -0.275 4.065 4.340 -0.000 0.000 0.211 18 L C 2.636 179.487 176.870 -0.032 0.000 1.071 18 L CA 1.750 56.569 54.840 -0.036 0.000 0.749 18 L CB -0.407 41.642 42.059 -0.017 0.000 0.890 18 L HN 0.242 nan 8.230 nan 0.000 0.431 19 T N -0.643 113.862 114.554 -0.082 0.000 2.795 19 T HA -0.241 4.109 4.350 -0.000 0.000 0.266 19 T C 1.698 176.289 174.700 -0.181 0.000 1.056 19 T CA 1.293 63.341 62.100 -0.087 0.000 1.141 19 T CB -0.134 68.634 68.868 -0.167 0.000 0.840 19 T HN 0.231 nan 8.240 nan 0.000 0.493 20 R N 0.802 121.135 120.500 -0.279 0.000 2.362 20 R HA 0.241 4.581 4.340 -0.000 0.000 0.227 20 R C 0.360 176.550 176.300 -0.183 0.000 0.905 20 R CA -0.082 55.855 56.100 -0.271 0.000 1.067 20 R CB -0.228 29.845 30.300 -0.380 0.000 1.078 20 R HN 0.276 nan 8.270 nan 0.000 0.516 21 N N 2.087 120.703 118.700 -0.139 0.000 2.426 21 N HA 0.123 4.863 4.740 -0.000 0.000 0.257 21 N C -1.874 173.542 175.510 -0.156 0.000 1.002 21 N CA -1.958 51.014 53.050 -0.131 0.000 0.942 21 N CB 1.481 39.939 38.487 -0.048 0.000 1.112 21 N HN -0.172 nan 8.380 nan 0.000 0.499 22 P HA -0.044 nan 4.420 nan 0.000 0.231 22 P C 0.401 177.596 177.300 -0.176 0.000 1.168 22 P CA 1.011 63.957 63.100 -0.258 0.000 0.779 22 P CB 0.189 31.691 31.700 -0.331 0.000 0.844 23 H N -0.510 118.586 119.070 0.043 0.000 2.470 23 H HA 0.169 4.725 4.556 -0.000 0.000 0.289 23 H C 1.743 177.137 175.328 0.110 0.000 1.033 23 H CA 0.928 57.032 56.048 0.093 0.000 1.331 23 H CB -0.152 29.654 29.762 0.072 0.000 1.414 23 H HN 0.219 nan 8.280 nan 0.000 0.545 24 L N 0.085 121.407 121.223 0.164 0.000 2.817 24 L HA 0.130 4.470 4.340 -0.000 0.000 0.248 24 L C 0.478 177.395 176.870 0.079 0.000 1.133 24 L CA -0.294 54.631 54.840 0.142 0.000 0.935 24 L CB 0.282 42.431 42.059 0.149 0.000 1.266 24 L HN -0.027 nan 8.230 nan 0.000 0.535 25 N N 1.474 120.193 118.700 0.032 0.000 2.497 25 N HA 0.014 4.754 4.740 -0.000 0.000 0.268 25 N C 0.522 175.798 175.510 -0.390 0.000 1.171 25 N CA 0.570 53.591 53.050 -0.048 0.000 0.948 25 N CB 0.677 39.157 38.487 -0.011 0.000 1.069 25 N HN 0.033 nan 8.380 nan 0.000 0.460 26 K N 2.019 121.766 120.400 -1.089 0.000 2.374 26 K HA 0.094 4.414 4.320 -0.000 0.000 0.202 26 K C -0.216 175.930 176.600 -0.756 0.000 1.040 26 K CA -0.410 55.090 56.287 -1.312 0.000 1.085 26 K CB 0.121 31.418 32.500 -2.005 0.000 0.873 26 K HN 0.641 nan 8.250 nan 0.000 0.539 27 D N 1.031 121.195 120.400 -0.395 0.000 3.417 27 D HA -0.307 4.333 4.640 -0.000 0.000 0.163 27 D C 1.154 177.397 176.300 -0.095 0.000 1.070 27 D CA 1.563 55.492 54.000 -0.117 0.000 1.047 27 D CB -0.704 40.038 40.800 -0.097 0.000 0.514 27 D HN 0.056 nan 8.370 nan 0.000 0.532 28 L N 0.644 121.805 121.223 -0.103 0.000 2.549 28 L HA -0.057 4.283 4.340 -0.000 0.000 0.230 28 L C 2.464 179.176 176.870 -0.265 0.000 1.162 28 L CA 1.081 55.855 54.840 -0.110 0.000 0.834 28 L CB -0.525 41.462 42.059 -0.119 0.000 0.947 28 L HN 0.375 nan 8.230 nan 0.000 0.452 29 A N -0.333 122.260 122.820 -0.378 0.000 2.167 29 A HA 0.012 4.332 4.320 -0.000 0.000 0.214 29 A C 0.813 178.262 177.584 -0.224 0.000 1.151 29 A CA -0.183 51.563 52.037 -0.485 0.000 0.735 29 A CB -0.502 18.230 19.000 -0.447 0.000 0.802 29 A HN 0.232 nan 8.150 nan 0.000 0.467 30 F N 1.106 120.985 119.950 -0.118 0.000 2.593 30 F HA 0.050 4.577 4.527 -0.000 0.000 0.393 30 F C 1.444 177.374 175.800 0.217 0.000 1.037 30 F CA 0.384 58.385 58.000 0.002 0.000 1.195 30 F CB 0.430 39.419 39.000 -0.019 0.000 1.034 30 F HN -0.028 nan 8.300 nan 0.000 0.552 31 T N 4.609 119.427 114.554 0.440 0.000 2.898 31 T HA 0.146 4.496 4.350 -0.000 0.000 0.301 31 T C 1.496 176.309 174.700 0.189 0.000 1.049 31 T CA -0.565 61.716 62.100 0.301 0.000 1.095 31 T CB 0.587 69.529 68.868 0.123 0.000 0.976 31 T HN 0.530 nan 8.240 nan 0.000 0.539 32 L N 2.551 123.824 121.223 0.082 0.000 2.127 32 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 32 L C 3.124 180.021 176.870 0.045 0.000 1.089 32 L CA 2.005 56.895 54.840 0.083 0.000 0.757 32 L CB -1.007 41.072 42.059 0.034 0.000 0.899 32 L HN 0.896 nan 8.230 nan 0.000 0.434 33 E N 0.753 120.959 120.200 0.010 0.000 2.015 33 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 33 E C 1.927 178.531 176.600 0.008 0.000 0.991 33 E CA 1.360 57.757 56.400 -0.005 0.000 0.802 33 E CB -0.791 28.901 29.700 -0.014 0.000 0.759 33 E HN 0.617 nan 8.360 nan 0.000 0.447 34 E N -0.095 120.128 120.200 0.039 0.000 2.108 34 E HA -0.288 4.062 4.350 -0.000 0.000 0.203 34 E C 2.471 179.041 176.600 -0.050 0.000 1.022 34 E CA 1.660 58.079 56.400 0.031 0.000 0.823 34 E CB -0.221 29.565 29.700 0.144 0.000 0.744 34 E HN 0.422 nan 8.360 nan 0.000 0.456 35 R N -0.274 120.214 120.500 -0.020 0.000 2.083 35 R HA -0.210 4.130 4.340 -0.000 0.000 0.237 35 R C 2.811 179.097 176.300 -0.023 0.000 1.137 35 R CA 2.021 58.089 56.100 -0.053 0.000 0.951 35 R CB -0.609 29.737 30.300 0.076 0.000 0.851 35 R HN 0.264 nan 8.270 nan 0.000 0.434 36 Q N 0.430 120.220 119.800 -0.016 0.000 2.079 36 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 36 Q C 2.206 178.174 176.000 -0.053 0.000 0.974 36 Q CA 1.990 57.757 55.803 -0.060 0.000 0.840 36 Q CB -1.238 27.434 28.738 -0.110 0.000 0.898 36 Q HN 0.681 nan 8.270 nan 0.000 0.430 37 Q N 0.106 119.878 119.800 -0.046 0.000 2.167 37 Q HA 0.238 4.578 4.340 -0.000 0.000 0.202 37 Q C 2.092 178.062 176.000 -0.050 0.000 0.970 37 Q CA 1.447 57.225 55.803 -0.041 0.000 0.855 37 Q CB -0.330 28.392 28.738 -0.027 0.000 0.911 37 Q HN 0.772 nan 8.270 nan 0.000 0.438 38 L N -0.064 121.111 121.223 -0.080 0.000 2.628 38 L HA 0.210 4.550 4.340 -0.000 0.000 0.229 38 L C 0.438 177.254 176.870 -0.091 0.000 1.137 38 L CA 0.091 54.869 54.840 -0.104 0.000 0.909 38 L CB 0.141 42.085 42.059 -0.193 0.000 1.137 38 L HN 0.539 nan 8.230 nan 0.000 0.470 39 N N 1.267 119.930 118.700 -0.061 0.000 2.756 39 N HA -0.228 4.512 4.740 -0.000 0.000 0.248 39 N C 0.341 175.833 175.510 -0.028 0.000 1.062 39 N CA 0.938 53.971 53.050 -0.029 0.000 0.696 39 N CB -0.994 37.481 38.487 -0.020 0.000 0.946 39 N HN 0.622 nan 8.380 nan 0.000 0.548 40 I N -4.444 116.099 120.570 -0.046 0.000 4.338 40 I HA 0.258 4.428 4.170 -0.000 0.000 0.329 40 I C 0.680 176.802 176.117 0.008 0.000 1.378 40 I CA -0.605 60.668 61.300 -0.046 0.000 1.170 40 I CB -0.171 37.733 38.000 -0.160 0.000 1.206 40 I HN 0.188 nan 8.210 nan 0.000 0.432 41 H N 3.061 122.099 119.070 -0.055 0.000 3.257 41 H HA 0.311 4.867 4.556 -0.000 0.000 0.256 41 H C 1.231 176.552 175.328 -0.012 0.000 0.885 41 H CA 1.827 57.861 56.048 -0.024 0.000 1.406 41 H CB -0.078 29.672 29.762 -0.021 0.000 1.506 41 H HN 0.633 nan 8.280 nan 0.000 0.527 42 G N 3.350 112.016 108.800 -0.222 0.000 2.428 42 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.199 42 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.199 42 G C 1.110 175.966 174.900 -0.072 0.000 1.005 42 G CA 0.108 45.113 45.100 -0.158 0.000 0.671 42 G HN 0.577 nan 8.290 nan 0.000 0.485 43 L N 0.658 121.861 121.223 -0.033 0.000 2.456 43 L HA 0.335 4.674 4.340 -0.000 0.000 0.224 43 L C 0.952 177.824 176.870 0.005 0.000 1.148 43 L CA 0.812 55.655 54.840 0.006 0.000 0.825 43 L CB -0.231 41.857 42.059 0.047 0.000 0.937 43 L HN 0.216 nan 8.230 nan 0.000 0.450 44 L N -0.806 120.405 121.223 -0.021 0.000 2.354 44 L HA 0.478 4.818 4.340 -0.000 0.000 0.264 44 L C -2.164 174.686 176.870 -0.033 0.000 1.008 44 L CA -2.001 52.837 54.840 -0.003 0.000 0.819 44 L CB 1.887 43.968 42.059 0.036 0.000 1.339 44 L HN -0.229 nan 8.230 nan 0.000 0.420 45 P HA 0.190 nan 4.420 nan 0.000 0.272 45 P C -2.305 174.988 177.300 -0.012 0.000 1.240 45 P CA -1.172 61.916 63.100 -0.021 0.000 0.791 45 P CB -0.030 31.665 31.700 -0.007 0.000 0.978 46 P HA -0.056 nan 4.420 nan 0.000 0.220 46 P C 0.293 177.630 177.300 0.062 0.000 1.148 46 P CA 1.094 64.203 63.100 0.015 0.000 0.803 46 P CB -0.129 31.580 31.700 0.015 0.000 0.782 47 S N 0.250 115.983 115.700 0.055 0.000 2.549 47 S HA 0.118 4.588 4.470 -0.000 0.000 0.286 47 S C -0.059 174.616 174.600 0.126 0.000 1.314 47 S CA -0.237 58.011 58.200 0.080 0.000 1.062 47 S CB -0.405 62.818 63.200 0.039 0.000 0.865 47 S HN 0.054 nan 8.310 nan 0.000 0.498 48 F N 3.530 123.496 119.950 0.026 0.000 2.385 48 F HA 0.523 5.050 4.527 -0.000 0.000 0.336 48 F C -0.160 175.653 175.800 0.023 0.000 1.100 48 F CA -0.701 57.316 58.000 0.029 0.000 1.116 48 F CB 0.808 39.829 39.000 0.035 0.000 1.166 48 F HN 0.366 nan 8.300 nan 0.000 0.511 49 N N 3.329 121.489 118.700 -0.900 0.000 2.410 49 N HA 0.198 4.938 4.740 -0.000 0.000 0.287 49 N C -1.023 173.975 175.510 -0.854 0.000 1.044 49 N CA -0.556 52.112 53.050 -0.637 0.000 0.881 49 N CB 1.889 40.188 38.487 -0.312 0.000 1.405 49 N HN 0.677 nan 8.380 nan 0.000 0.490 50 S N 0.809 116.225 115.700 -0.472 0.000 2.572 50 S HA -0.047 4.423 4.470 -0.000 0.000 0.267 50 S C 1.191 175.722 174.600 -0.114 0.000 1.361 50 S CA -0.126 57.971 58.200 -0.170 0.000 1.009 50 S CB 1.043 64.258 63.200 0.025 0.000 0.888 50 S HN 0.623 nan 8.310 nan 0.000 0.553 51 Q N 0.143 119.933 119.800 -0.017 0.000 2.170 51 Q HA -0.173 4.166 4.340 -0.000 0.000 0.203 51 Q C 1.641 177.614 176.000 -0.045 0.000 0.976 51 Q CA 1.777 57.572 55.803 -0.013 0.000 0.858 51 Q CB -0.138 28.561 28.738 -0.065 0.000 0.907 51 Q HN 0.850 nan 8.270 nan 0.000 0.433 52 E N 0.013 120.193 120.200 -0.034 0.000 2.072 52 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 52 E C 1.636 178.220 176.600 -0.027 0.000 0.985 52 E CA 0.839 57.223 56.400 -0.027 0.000 0.801 52 E CB -0.027 29.667 29.700 -0.010 0.000 0.750 52 E HN 0.276 nan 8.360 nan 0.000 0.452 53 I N 1.158 121.707 120.570 -0.035 0.000 2.315 53 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 53 I C 2.120 178.209 176.117 -0.046 0.000 1.117 53 I CA 1.285 62.563 61.300 -0.037 0.000 1.404 53 I CB -0.324 37.648 38.000 -0.047 0.000 1.071 53 I HN 0.099 nan 8.210 nan 0.000 0.419 54 Q N -0.401 119.361 119.800 -0.063 0.000 2.061 54 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 54 Q C 2.427 178.400 176.000 -0.045 0.000 0.984 54 Q CA 1.844 57.615 55.803 -0.055 0.000 0.846 54 Q CB -0.374 28.337 28.738 -0.045 0.000 0.902 54 Q HN 0.360 nan 8.270 nan 0.000 0.421 55 V N 1.132 121.017 119.914 -0.048 0.000 2.343 55 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 55 V C 2.211 178.289 176.094 -0.026 0.000 1.051 55 V CA 1.487 63.754 62.300 -0.054 0.000 1.036 55 V CB -0.583 31.205 31.823 -0.058 0.000 0.654 55 V HN 0.337 nan 8.190 nan 0.000 0.451 56 L N 0.642 121.857 121.223 -0.012 0.000 2.013 56 L HA -0.224 4.115 4.340 -0.000 0.000 0.212 56 L C 2.541 179.420 176.870 0.015 0.000 1.073 56 L CA 2.448 57.292 54.840 0.007 0.000 0.753 56 L CB -0.811 41.251 42.059 0.005 0.000 0.890 56 L HN 0.275 nan 8.230 nan 0.000 0.432 57 R N -0.918 119.583 120.500 0.002 0.000 2.082 57 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 57 R C 2.112 178.425 176.300 0.022 0.000 1.136 57 R CA 2.303 58.408 56.100 0.008 0.000 0.935 57 R CB -0.568 29.727 30.300 -0.008 0.000 0.842 57 R HN 0.339 nan 8.270 nan 0.000 0.430 58 V N 0.527 120.443 119.914 0.003 0.000 2.324 58 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 58 V C 2.401 178.538 176.094 0.071 0.000 1.060 58 V CA 1.827 64.133 62.300 0.010 0.000 1.042 58 V CB -0.308 31.483 31.823 -0.054 0.000 0.650 58 V HN 0.256 nan 8.190 nan 0.000 0.450 59 V N -0.712 119.239 119.914 0.060 0.000 2.358 59 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 59 V C 2.469 178.679 176.094 0.193 0.000 1.047 59 V CA 1.809 64.189 62.300 0.134 0.000 1.035 59 V CB -0.659 31.223 31.823 0.099 0.000 0.658 59 V HN 0.502 nan 8.190 nan 0.000 0.452 60 K N 0.177 120.648 120.400 0.119 0.000 2.009 60 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 60 K C 2.065 178.739 176.600 0.123 0.000 1.049 60 K CA 2.026 58.377 56.287 0.106 0.000 0.929 60 K CB -0.392 32.146 32.500 0.064 0.000 0.714 60 K HN 0.436 nan 8.250 nan 0.000 0.440 61 N N 0.646 119.412 118.700 0.109 0.000 2.021 61 N HA -0.221 4.519 4.740 -0.000 0.000 0.198 61 N C 1.557 177.152 175.510 0.142 0.000 1.041 61 N CA 1.630 54.738 53.050 0.097 0.000 0.862 61 N CB -0.515 38.019 38.487 0.079 0.000 1.048 61 N HN 0.126 nan 8.380 nan 0.000 0.427 62 F N 1.554 121.533 119.950 0.049 0.000 2.063 62 F HA -0.328 4.199 4.527 -0.000 0.000 0.297 62 F C 2.297 178.146 175.800 0.082 0.000 1.099 62 F CA 1.849 59.900 58.000 0.085 0.000 1.220 62 F CB -0.316 38.780 39.000 0.160 0.000 0.972 62 F HN 0.063 nan 8.300 nan 0.000 0.487 63 E N -0.479 119.891 120.200 0.283 0.000 2.023 63 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 63 E C 2.531 179.153 176.600 0.038 0.000 1.003 63 E CA 1.900 58.387 56.400 0.144 0.000 0.809 63 E CB -1.057 28.741 29.700 0.164 0.000 0.755 63 E HN 0.697 nan 8.360 nan 0.000 0.449 64 H N -0.038 119.059 119.070 0.045 0.000 2.518 64 H HA 0.075 4.631 4.556 -0.000 0.000 0.292 64 H C 1.088 176.412 175.328 -0.007 0.000 1.068 64 H CA 1.027 57.087 56.048 0.020 0.000 1.275 64 H CB -0.921 28.856 29.762 0.025 0.000 1.375 64 H HN 0.005 nan 8.280 nan 0.000 0.563 65 L N 0.538 121.738 121.223 -0.037 0.000 2.436 65 L HA 0.102 4.442 4.340 -0.000 0.000 0.265 65 L C 1.583 178.418 176.870 -0.058 0.000 1.168 65 L CA -0.154 54.651 54.840 -0.057 0.000 0.815 65 L CB 0.750 42.748 42.059 -0.102 0.000 1.109 65 L HN 0.320 nan 8.230 nan 0.000 0.462 66 N N -0.300 118.380 118.700 -0.032 0.000 2.333 66 N HA -0.061 4.679 4.740 -0.000 0.000 0.178 66 N C 0.026 175.529 175.510 -0.011 0.000 1.018 66 N CA 0.604 53.646 53.050 -0.014 0.000 0.882 66 N CB 0.401 38.891 38.487 0.005 0.000 0.984 66 N HN 0.711 nan 8.380 nan 0.000 0.434 67 S N -1.759 113.937 115.700 -0.007 0.000 2.595 67 S HA 0.393 4.863 4.470 -0.000 0.000 0.281 67 S C -0.010 174.592 174.600 0.003 0.000 1.117 67 S CA -0.814 57.399 58.200 0.022 0.000 0.873 67 S CB 1.542 64.797 63.200 0.091 0.000 1.108 67 S HN -0.109 nan 8.310 nan 0.000 0.477 68 D N 0.659 121.076 120.400 0.029 0.000 2.178 68 D HA -0.028 4.612 4.640 -0.000 0.000 0.201 68 D C 1.302 177.686 176.300 0.141 0.000 0.980 68 D CA 1.019 55.043 54.000 0.040 0.000 0.842 68 D CB -0.350 40.497 40.800 0.078 0.000 0.948 68 D HN 0.608 nan 8.370 nan 0.000 0.472 69 F N 1.571 121.534 119.950 0.022 0.000 2.126 69 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 69 F C 1.768 177.633 175.800 0.108 0.000 1.096 69 F CA 1.326 59.360 58.000 0.057 0.000 1.255 69 F CB 0.268 39.277 39.000 0.015 0.000 0.997 69 F HN -0.133 nan 8.300 nan 0.000 0.479 70 D N -0.014 120.377 120.400 -0.015 0.000 2.149 70 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 70 D C 2.248 178.483 176.300 -0.108 0.000 0.972 70 D CA 0.963 54.895 54.000 -0.113 0.000 0.835 70 D CB -0.328 40.445 40.800 -0.045 0.000 0.966 70 D HN 0.384 nan 8.370 nan 0.000 0.476 71 R N -0.030 120.409 120.500 -0.102 0.000 2.081 71 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 71 R C 2.349 178.702 176.300 0.088 0.000 1.131 71 R CA 0.899 56.935 56.100 -0.105 0.000 0.960 71 R CB -0.531 29.528 30.300 -0.402 0.000 0.856 71 R HN 0.267 nan 8.270 nan 0.000 0.436 72 Y N 1.677 121.970 120.300 -0.013 0.000 2.097 72 Y HA -0.246 4.304 4.550 -0.000 0.000 0.282 72 Y C 1.877 177.730 175.900 -0.078 0.000 1.152 72 Y CA 1.650 59.758 58.100 0.014 0.000 1.136 72 Y CB -0.319 38.147 38.460 0.009 0.000 0.975 72 Y HN -0.057 nan 8.280 nan 0.000 0.498 73 L N -0.443 120.692 121.223 -0.146 0.000 2.079 73 L HA -0.219 4.120 4.340 -0.000 0.000 0.210 73 L C 2.476 179.211 176.870 -0.226 0.000 1.081 73 L CA 1.263 55.938 54.840 -0.274 0.000 0.752 73 L CB -0.737 41.156 42.059 -0.276 0.000 0.896 73 L HN 0.387 nan 8.230 nan 0.000 0.433 74 L N -0.028 121.116 121.223 -0.131 0.000 1.994 74 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 74 L C 2.331 179.154 176.870 -0.077 0.000 1.071 74 L CA 1.773 56.568 54.840 -0.075 0.000 0.745 74 L CB -0.324 41.736 42.059 0.002 0.000 0.892 74 L HN 0.084 nan 8.230 nan 0.000 0.431 75 L N -1.367 119.835 121.223 -0.035 0.000 2.141 75 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 75 L C 2.459 179.248 176.870 -0.134 0.000 1.094 75 L CA 0.662 55.521 54.840 0.031 0.000 0.763 75 L CB -0.603 41.552 42.059 0.160 0.000 0.908 75 L HN 0.330 nan 8.230 nan 0.000 0.437 76 M N -0.501 118.893 119.600 -0.344 0.000 2.175 76 M HA -0.202 4.278 4.480 -0.000 0.000 0.264 76 M C 2.127 178.185 176.300 -0.403 0.000 1.063 76 M CA 1.629 56.635 55.300 -0.490 0.000 1.119 76 M CB -1.411 30.813 32.600 -0.628 0.000 1.377 76 M HN 0.267 nan 8.290 nan 0.000 0.415 77 D N 0.380 120.602 120.400 -0.297 0.000 2.117 77 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 77 D C 2.158 178.320 176.300 -0.230 0.000 0.987 77 D CA 1.160 55.018 54.000 -0.236 0.000 0.829 77 D CB -0.148 40.547 40.800 -0.174 0.000 0.961 77 D HN 0.316 nan 8.370 nan 0.000 0.460 78 L N 0.508 121.610 121.223 -0.202 0.000 2.083 78 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 78 L C 2.501 179.211 176.870 -0.267 0.000 1.083 78 L CA 2.210 56.956 54.840 -0.156 0.000 0.752 78 L CB -1.029 41.003 42.059 -0.045 0.000 0.899 78 L HN 0.245 nan 8.230 nan 0.000 0.433 79 Q N -0.804 118.635 119.800 -0.601 0.000 2.135 79 Q HA -0.290 4.050 4.340 -0.000 0.000 0.204 79 Q C 1.702 177.420 176.000 -0.471 0.000 0.981 79 Q CA 2.095 57.346 55.803 -0.920 0.000 0.856 79 Q CB -0.165 27.590 28.738 -1.639 0.000 0.902 79 Q HN 0.712 nan 8.270 nan 0.000 0.425 80 D N -0.772 119.405 120.400 -0.372 0.000 2.347 80 D HA -0.110 4.530 4.640 -0.000 0.000 0.215 80 D C 1.797 177.967 176.300 -0.216 0.000 0.976 80 D CA 0.649 54.490 54.000 -0.266 0.000 0.884 80 D CB 0.174 40.833 40.800 -0.236 0.000 0.915 80 D HN 0.153 nan 8.370 nan 0.000 0.526 81 R N -0.713 119.671 120.500 -0.194 0.000 2.310 81 R HA 0.120 4.460 4.340 -0.000 0.000 0.199 81 R C -0.352 175.883 176.300 -0.108 0.000 0.891 81 R CA 0.107 56.121 56.100 -0.143 0.000 1.060 81 R CB 0.482 30.711 30.300 -0.118 0.000 1.188 81 R HN -0.037 nan 8.270 nan 0.000 0.607 82 N N 1.449 120.097 118.700 -0.087 0.000 2.751 82 N HA -0.004 4.736 4.740 -0.000 0.000 0.238 82 N C -0.243 175.293 175.510 0.043 0.000 1.351 82 N CA -0.070 52.976 53.050 -0.007 0.000 0.751 82 N CB 1.322 39.816 38.487 0.011 0.000 1.342 82 N HN 0.241 nan 8.380 nan 0.000 0.540 83 E N 1.954 122.194 120.200 0.067 0.000 2.038 83 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 83 E C 0.860 177.650 176.600 0.316 0.000 1.000 83 E CA 1.144 57.645 56.400 0.167 0.000 0.803 83 E CB 0.303 30.163 29.700 0.268 0.000 0.750 83 E HN 0.319 nan 8.360 nan 0.000 0.448 84 K N 0.454 121.036 120.400 0.303 0.000 2.044 84 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 84 K C 2.279 178.885 176.600 0.011 0.000 1.049 84 K CA 1.007 57.392 56.287 0.163 0.000 0.927 84 K CB -0.683 31.773 32.500 -0.074 0.000 0.713 84 K HN 0.231 nan 8.250 nan 0.000 0.443 85 L N 0.607 121.838 121.223 0.014 0.000 2.056 85 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 85 L C 2.233 179.076 176.870 -0.045 0.000 1.078 85 L CA 1.286 56.103 54.840 -0.038 0.000 0.749 85 L CB -0.693 41.385 42.059 0.031 0.000 0.901 85 L HN 0.066 nan 8.230 nan 0.000 0.433 86 F N -0.141 119.694 119.950 -0.192 0.000 2.043 86 F HA -0.343 4.184 4.527 -0.000 0.000 0.297 86 F C 2.166 177.770 175.800 -0.327 0.000 1.118 86 F CA 2.164 59.962 58.000 -0.337 0.000 1.202 86 F CB -0.925 37.776 39.000 -0.497 0.000 0.965 86 F HN 0.178 nan 8.300 nan 0.000 0.482 87 Y N -0.598 119.637 120.300 -0.108 0.000 2.293 87 Y HA -0.171 4.379 4.550 -0.000 0.000 0.291 87 Y C 2.582 178.373 175.900 -0.181 0.000 1.137 87 Y CA 1.003 58.991 58.100 -0.187 0.000 1.202 87 Y CB -0.478 38.059 38.460 0.127 0.000 0.990 87 Y HN 0.004 nan 8.280 nan 0.000 0.537 88 R N 0.758 121.233 120.500 -0.041 0.000 2.080 88 R HA -0.140 4.200 4.340 -0.000 0.000 0.236 88 R C 2.022 178.226 176.300 -0.161 0.000 1.137 88 R CA 1.789 57.823 56.100 -0.110 0.000 0.943 88 R CB -1.172 29.034 30.300 -0.157 0.000 0.846 88 R HN 0.179 nan 8.270 nan 0.000 0.431 89 V N 1.067 120.823 119.914 -0.264 0.000 2.287 89 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 89 V C 2.430 178.246 176.094 -0.465 0.000 1.053 89 V CA 2.129 64.184 62.300 -0.408 0.000 1.027 89 V CB -0.527 30.945 31.823 -0.585 0.000 0.646 89 V HN 0.316 nan 8.190 nan 0.000 0.447 90 L N 0.510 121.439 121.223 -0.490 0.000 2.046 90 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 90 L C 2.660 179.542 176.870 0.020 0.000 1.077 90 L CA 2.166 56.853 54.840 -0.255 0.000 0.747 90 L CB -1.219 40.639 42.059 -0.335 0.000 0.896 90 L HN 0.594 nan 8.230 nan 0.000 0.432 91 T N -3.340 111.200 114.554 -0.023 0.000 3.085 91 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 91 T C 1.203 175.916 174.700 0.021 0.000 1.127 91 T CA 0.381 62.485 62.100 0.008 0.000 1.103 91 T CB -0.372 68.493 68.868 -0.004 0.000 0.921 91 T HN 0.393 nan 8.240 nan 0.000 0.510 95 E N 2.621 122.767 120.200 -0.090 0.000 2.110 95 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 95 E C 2.021 178.547 176.600 -0.124 0.000 0.988 95 E CA 1.902 58.248 56.400 -0.090 0.000 0.804 95 E CB 0.205 29.858 29.700 -0.078 0.000 0.745 95 E HN 0.478 nan 8.360 nan 0.000 0.458 96 K N -0.717 119.515 120.400 -0.280 0.000 2.076 96 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 96 K C 1.618 178.022 176.600 -0.327 0.000 1.051 96 K CA 1.183 57.213 56.287 -0.429 0.000 0.949 96 K CB 0.002 31.978 32.500 -0.873 0.000 0.726 96 K HN 0.126 nan 8.250 nan 0.000 0.443 97 F N 0.034 119.960 119.950 -0.041 0.000 2.530 97 F HA 0.096 4.623 4.527 -0.000 0.000 0.292 97 F C 2.320 178.163 175.800 0.072 0.000 1.109 97 F CA -0.121 57.872 58.000 -0.012 0.000 1.450 97 F CB -0.046 38.870 39.000 -0.141 0.000 1.114 97 F HN -0.004 nan 8.300 nan 0.000 0.560 98 M N 1.974 121.700 119.600 0.210 0.000 2.108 98 M HA -0.109 4.370 4.480 -0.000 0.000 0.261 98 M C -1.059 175.381 176.300 0.233 0.000 1.066 98 M CA 2.057 57.477 55.300 0.200 0.000 1.107 98 M CB -1.190 31.482 32.600 0.120 0.000 1.356 98 M HN -0.162 nan 8.290 nan 0.000 0.406 99 P HA -0.130 nan 4.420 nan 0.000 0.223 99 P C 1.268 178.696 177.300 0.212 0.000 1.144 99 P CA 1.164 64.359 63.100 0.158 0.000 0.783 99 P CB -0.365 31.396 31.700 0.102 0.000 0.771 100 I N -1.687 119.062 120.570 0.299 0.000 2.556 100 I HA -0.045 4.125 4.170 -0.000 0.000 0.251 100 I C 2.202 178.579 176.117 0.434 0.000 1.105 100 I CA 0.977 62.499 61.300 0.369 0.000 1.436 100 I CB -1.167 37.138 38.000 0.510 0.000 1.139 100 I HN -0.155 nan 8.210 nan 0.000 0.438 101 V N -0.233 119.934 119.914 0.422 0.000 2.951 101 V HA -0.130 3.990 4.120 -0.000 0.000 0.255 101 V C 1.189 177.598 176.094 0.525 0.000 1.088 101 V CA 1.090 63.673 62.300 0.473 0.000 1.109 101 V CB -0.298 31.743 31.823 0.363 0.000 0.724 101 V HN 0.311 nan 8.190 nan 0.000 0.471 102 Y N -0.233 120.220 120.300 0.255 0.000 3.310 102 Y HA 0.439 4.989 4.550 -0.000 0.000 0.309 102 Y C 0.871 176.853 175.900 0.136 0.000 1.629 102 Y CA -0.837 57.378 58.100 0.193 0.000 0.862 102 Y CB 0.810 39.379 38.460 0.181 0.000 1.296 102 Y HN -0.133 nan 8.280 nan 0.000 0.737 103 T N 3.952 118.260 114.554 -0.410 0.000 2.884 103 T HA 0.224 4.574 4.350 -0.000 0.000 0.298 103 T C -1.861 172.791 174.700 -0.080 0.000 0.998 103 T CA -1.435 60.449 62.100 -0.360 0.000 1.124 103 T CB 0.703 69.239 68.868 -0.552 0.000 0.931 103 T HN 0.445 nan 8.240 nan 0.000 0.531 104 P HA 0.080 nan 4.420 nan 0.000 0.224 104 P C 1.421 178.684 177.300 -0.062 0.000 1.159 104 P CA 0.553 63.604 63.100 -0.082 0.000 0.824 104 P CB 0.063 31.730 31.700 -0.054 0.000 0.833 105 T N 0.561 115.114 114.554 -0.002 0.000 2.803 105 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 105 T C 1.840 176.498 174.700 -0.071 0.000 1.052 105 T CA 1.016 63.126 62.100 0.016 0.000 1.136 105 T CB -0.999 67.937 68.868 0.114 0.000 0.864 105 T HN -0.093 nan 8.240 nan 0.000 0.467 106 V N 1.376 121.245 119.914 -0.075 0.000 2.913 106 V HA -0.023 4.097 4.120 -0.000 0.000 0.260 106 V C 2.408 178.429 176.094 -0.121 0.000 1.098 106 V CA 1.781 64.009 62.300 -0.120 0.000 1.121 106 V CB -0.955 30.889 31.823 0.036 0.000 0.714 106 V HN 0.584 nan 8.190 nan 0.000 0.487 107 G N -0.266 108.460 108.800 -0.124 0.000 2.404 107 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 107 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 107 G C 1.710 176.557 174.900 -0.087 0.000 1.174 107 G CA 1.389 46.427 45.100 -0.104 0.000 0.780 107 G HN 0.695 nan 8.290 nan 0.000 0.537 108 L N 0.728 121.891 121.223 -0.100 0.000 2.042 108 L HA 0.355 4.695 4.340 -0.000 0.000 0.210 108 L C 3.234 180.044 176.870 -0.100 0.000 1.076 108 L CA 2.719 57.474 54.840 -0.142 0.000 0.749 108 L CB -1.688 40.264 42.059 -0.179 0.000 0.893 108 L HN 0.528 nan 8.230 nan 0.000 0.432 109 A N -1.603 121.198 122.820 -0.031 0.000 1.908 109 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 109 A C 2.580 180.311 177.584 0.245 0.000 1.181 109 A CA 1.854 53.948 52.037 0.095 0.000 0.627 109 A CB -1.230 17.483 19.000 -0.479 0.000 0.818 109 A HN 0.742 nan 8.150 nan 0.000 0.445 110 C N -1.223 118.146 119.300 0.115 0.000 2.453 110 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 110 C C 2.833 177.891 174.990 0.113 0.000 1.262 110 C CA 1.102 60.178 59.018 0.097 0.000 1.718 110 C CB -1.441 26.275 27.740 -0.040 0.000 2.031 110 C HN 0.685 nan 8.230 nan 0.000 0.480 111 Q N -0.182 119.638 119.800 0.035 0.000 2.173 111 Q HA -0.296 4.044 4.340 -0.000 0.000 0.208 111 Q C 1.865 177.899 176.000 0.057 0.000 0.989 111 Q CA 1.856 57.665 55.803 0.011 0.000 0.872 111 Q CB -0.169 28.535 28.738 -0.058 0.000 0.909 111 Q HN 0.610 nan 8.270 nan 0.000 0.420 112 Q N -1.376 118.479 119.800 0.092 0.000 2.247 112 Q HA 0.024 4.364 4.340 -0.000 0.000 0.204 112 Q C 0.542 176.698 176.000 0.260 0.000 0.872 112 Q CA -0.063 55.815 55.803 0.125 0.000 0.951 112 Q CB 0.209 28.974 28.738 0.043 0.000 1.099 112 Q HN 0.358 nan 8.270 nan 0.000 0.501 113 Y N -0.757 119.642 120.300 0.164 0.000 2.315 113 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 113 Y C 2.076 178.116 175.900 0.234 0.000 1.154 113 Y CA 1.738 59.975 58.100 0.229 0.000 1.229 113 Y CB 0.243 38.835 38.460 0.219 0.000 0.980 113 Y HN 0.124 nan 8.280 nan 0.000 0.540 114 S N -0.451 115.427 115.700 0.296 0.000 2.425 114 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 114 S C 2.039 176.730 174.600 0.151 0.000 1.024 114 S CA 0.599 58.913 58.200 0.190 0.000 0.951 114 S CB -0.332 62.986 63.200 0.197 0.000 0.796 114 S HN 0.451 nan 8.310 nan 0.000 0.498 115 L N 0.854 122.166 121.223 0.147 0.000 2.046 115 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 115 L C 1.938 178.886 176.870 0.130 0.000 1.077 115 L CA 1.328 56.241 54.840 0.121 0.000 0.747 115 L CB -0.088 42.038 42.059 0.110 0.000 0.896 115 L HN 0.209 nan 8.230 nan 0.000 0.432 116 V N -0.881 119.121 119.914 0.147 0.000 3.621 116 V HA 0.018 4.138 4.120 -0.000 0.000 0.285 116 V C 0.473 176.579 176.094 0.021 0.000 1.346 116 V CA -0.426 61.939 62.300 0.108 0.000 1.104 116 V CB -0.126 31.816 31.823 0.199 0.000 0.913 116 V HN 0.243 nan 8.190 nan 0.000 0.432 117 F N 1.869 121.748 119.950 -0.120 0.000 2.569 117 F HA 0.088 4.615 4.527 -0.000 0.000 0.395 117 F C 1.066 176.797 175.800 -0.116 0.000 1.028 117 F CA 1.000 58.890 58.000 -0.184 0.000 1.158 117 F CB 0.223 39.156 39.000 -0.113 0.000 1.023 117 F HN 0.087 nan 8.300 nan 0.000 0.547 118 R N 3.325 123.377 120.500 -0.747 0.000 2.076 118 R HA 0.420 4.760 4.340 -0.000 0.000 0.125 118 R C -0.099 175.767 176.300 -0.722 0.000 1.907 118 R CA -0.087 55.681 56.100 -0.552 0.000 1.623 118 R CB -0.418 29.690 30.300 -0.320 0.000 1.357 118 R HN 0.305 nan 8.270 nan 0.000 0.476 119 K N 3.961 124.064 120.400 -0.495 0.000 2.268 119 K HA 0.322 4.642 4.320 -0.000 0.000 0.276 119 K C -2.431 173.994 176.600 -0.293 0.000 1.080 119 K CA -1.931 54.154 56.287 -0.336 0.000 0.910 119 K CB -0.066 32.305 32.500 -0.216 0.000 1.163 119 K HN 0.213 nan 8.250 nan 0.000 0.465 120 P HA 0.132 nan 4.420 nan 0.000 0.265 120 P C -0.724 176.687 177.300 0.185 0.000 1.193 120 P CA -0.022 63.152 63.100 0.122 0.000 0.765 120 P CB 0.623 32.570 31.700 0.412 0.000 0.823 121 R N 1.240 121.892 120.500 0.252 0.000 2.832 121 R HA 0.711 5.051 4.340 -0.000 0.000 0.271 121 R C 0.403 176.858 176.300 0.260 0.000 0.996 121 R CA -0.459 55.796 56.100 0.258 0.000 0.977 121 R CB 1.476 31.869 30.300 0.155 0.000 1.168 121 R HN 0.778 nan 8.270 nan 0.000 0.482 122 G N 0.708 109.675 108.800 0.279 0.000 2.828 122 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.463 122 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.463 122 G C -0.979 173.808 174.900 -0.188 0.000 1.394 122 G CA -0.872 44.120 45.100 -0.179 0.000 0.862 122 G HN 0.401 nan 8.290 nan 0.000 0.540 123 L N -0.251 120.696 121.223 -0.460 0.000 2.313 123 L HA 0.606 4.945 4.340 -0.000 0.000 0.283 123 L C -0.407 176.267 176.870 -0.326 0.000 1.013 123 L CA -0.695 54.007 54.840 -0.230 0.000 0.816 123 L CB 1.314 43.221 42.059 -0.253 0.000 1.236 123 L HN 0.424 nan 8.230 nan 0.000 0.419 124 F N 4.749 124.715 119.950 0.026 0.000 2.371 124 F HA 0.458 4.984 4.527 -0.000 0.000 0.363 124 F C 0.265 176.080 175.800 0.026 0.000 1.122 124 F CA -0.295 57.709 58.000 0.007 0.000 1.129 124 F CB 0.796 39.803 39.000 0.012 0.000 1.173 124 F HN 0.181 nan 8.300 nan 0.000 0.489 125 I N 2.898 123.554 120.570 0.144 0.000 2.406 125 I HA 0.345 4.514 4.170 -0.000 0.000 0.290 125 I C -0.047 176.207 176.117 0.228 0.000 0.999 125 I CA -0.298 61.104 61.300 0.170 0.000 1.124 125 I CB 2.037 40.105 38.000 0.113 0.000 1.289 125 I HN 0.465 nan 8.210 nan 0.000 0.441 126 T N 5.199 119.874 114.554 0.201 0.000 2.940 126 T HA 0.387 4.737 4.350 -0.000 0.000 0.288 126 T C 1.306 175.884 174.700 -0.203 0.000 1.033 126 T CA -0.449 61.663 62.100 0.019 0.000 1.033 126 T CB 1.556 70.407 68.868 -0.028 0.000 1.079 126 T HN 0.392 nan 8.240 nan 0.000 0.496 127 I N 0.994 121.148 120.570 -0.693 0.000 2.208 127 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 127 I C 2.024 177.952 176.117 -0.315 0.000 1.097 127 I CA 1.478 62.184 61.300 -0.989 0.000 1.363 127 I CB -0.906 36.639 38.000 -0.757 0.000 1.051 127 I HN 0.626 nan 8.210 nan 0.000 0.413 128 H N 1.242 120.217 119.070 -0.157 0.000 2.561 128 H HA -0.100 4.456 4.556 -0.000 0.000 0.289 128 H C 1.021 176.373 175.328 0.039 0.000 1.054 128 H CA 1.156 57.178 56.048 -0.042 0.000 1.210 128 H CB -0.771 28.974 29.762 -0.028 0.000 1.353 128 H HN 0.510 nan 8.280 nan 0.000 0.601 129 D N 0.140 120.642 120.400 0.170 0.000 2.360 129 D HA -0.016 4.624 4.640 -0.000 0.000 0.210 129 D C 0.972 177.445 176.300 0.288 0.000 1.047 129 D CA -0.208 53.941 54.000 0.249 0.000 0.854 129 D CB 0.173 41.125 40.800 0.253 0.000 0.936 129 D HN 0.103 nan 8.370 nan 0.000 0.514 130 R N 0.819 121.465 120.500 0.244 0.000 2.489 130 R HA 0.016 4.356 4.340 -0.000 0.000 0.287 130 R C 1.289 177.651 176.300 0.103 0.000 0.902 130 R CA 1.348 57.584 56.100 0.227 0.000 1.136 130 R CB -0.439 29.940 30.300 0.132 0.000 0.872 130 R HN 0.245 nan 8.270 nan 0.000 0.421 131 G N 3.360 112.169 108.800 0.015 0.000 2.284 131 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.247 131 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.247 131 G C 0.409 175.052 174.900 -0.429 0.000 1.012 131 G CA 0.386 45.352 45.100 -0.223 0.000 0.618 131 G HN 0.747 nan 8.290 nan 0.000 0.521 132 H N -0.002 119.122 119.070 0.091 0.000 2.567 132 H HA 0.398 4.953 4.556 -0.000 0.000 0.267 132 H C 2.232 177.610 175.328 0.084 0.000 1.148 132 H CA 0.023 56.116 56.048 0.076 0.000 1.031 132 H CB 0.124 29.929 29.762 0.072 0.000 1.691 132 H HN 0.423 nan 8.280 nan 0.000 0.588 133 I N 0.842 121.504 120.570 0.154 0.000 2.208 133 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 133 I C 2.690 178.859 176.117 0.086 0.000 1.097 133 I CA 1.217 62.600 61.300 0.138 0.000 1.363 133 I CB -0.137 37.928 38.000 0.108 0.000 1.051 133 I HN 0.209 nan 8.210 nan 0.000 0.413 134 A N 0.890 123.736 122.820 0.044 0.000 1.948 134 A HA -0.278 4.042 4.320 -0.000 0.000 0.220 134 A C 2.492 180.095 177.584 0.031 0.000 1.177 134 A CA 2.499 54.538 52.037 0.003 0.000 0.636 134 A CB -0.837 18.156 19.000 -0.012 0.000 0.815 134 A HN 0.562 nan 8.150 nan 0.000 0.449 135 S N -0.837 114.910 115.700 0.079 0.000 2.436 135 S HA -0.043 4.426 4.470 -0.000 0.000 0.228 135 S C 1.694 176.353 174.600 0.097 0.000 1.014 135 S CA 1.137 59.387 58.200 0.085 0.000 0.950 135 S CB -0.591 62.670 63.200 0.102 0.000 0.784 135 S HN 0.241 nan 8.310 nan 0.000 0.504 136 V N 2.296 122.280 119.914 0.117 0.000 2.358 136 V HA -0.079 4.040 4.120 -0.000 0.000 0.246 136 V C 2.545 178.725 176.094 0.144 0.000 1.047 136 V CA 1.654 64.034 62.300 0.134 0.000 1.035 136 V CB -0.870 31.043 31.823 0.150 0.000 0.658 136 V HN 0.484 nan 8.190 nan 0.000 0.452 137 L N 0.477 121.770 121.223 0.116 0.000 2.127 137 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 137 L C 2.226 179.202 176.870 0.177 0.000 1.089 137 L CA 1.369 56.288 54.840 0.132 0.000 0.757 137 L CB -0.784 41.296 42.059 0.035 0.000 0.899 137 L HN 0.412 nan 8.230 nan 0.000 0.434 138 N N 0.321 119.090 118.700 0.115 0.000 2.573 138 N HA -0.088 4.651 4.740 -0.000 0.000 0.187 138 N C 1.684 177.279 175.510 0.141 0.000 1.107 138 N CA 1.094 54.209 53.050 0.110 0.000 0.918 138 N CB -0.075 38.450 38.487 0.063 0.000 0.966 138 N HN 0.314 nan 8.380 nan 0.000 0.448 139 A N -0.360 122.567 122.820 0.179 0.000 2.119 139 A HA -0.066 4.253 4.320 -0.000 0.000 0.216 139 A C 0.758 178.486 177.584 0.240 0.000 1.152 139 A CA -0.205 51.940 52.037 0.181 0.000 0.708 139 A CB -0.343 18.771 19.000 0.190 0.000 0.805 139 A HN 0.416 nan 8.150 nan 0.000 0.460 140 W N 1.616 122.967 121.300 0.084 0.000 2.304 140 W HA 0.259 4.919 4.660 -0.000 0.000 0.313 140 W C -2.220 174.347 176.519 0.080 0.000 1.323 140 W CA -1.849 55.548 57.345 0.087 0.000 1.223 140 W CB 1.084 30.608 29.460 0.107 0.000 1.237 140 W HN 0.153 nan 8.180 nan 0.000 0.535 141 P HA -0.042 nan 4.420 nan 0.000 0.233 141 P C -0.444 176.728 177.300 -0.213 0.000 1.167 141 P CA 1.156 64.080 63.100 -0.294 0.000 0.770 141 P CB 0.349 31.835 31.700 -0.356 0.000 0.837 142 E N 0.341 120.389 120.200 -0.254 0.000 2.166 142 E HA 0.114 4.464 4.350 -0.000 0.000 0.275 142 E C 0.504 177.212 176.600 0.181 0.000 0.941 142 E CA -0.335 56.044 56.400 -0.036 0.000 0.784 142 E CB 0.790 30.474 29.700 -0.027 0.000 1.115 142 E HN -0.009 nan 8.360 nan 0.000 0.399 143 D N 2.166 122.646 120.400 0.134 0.000 2.355 143 D HA -0.035 4.605 4.640 -0.000 0.000 0.206 143 D C 0.547 176.978 176.300 0.219 0.000 1.010 143 D CA 0.127 54.242 54.000 0.191 0.000 0.875 143 D CB 0.127 40.992 40.800 0.108 0.000 0.966 143 D HN 0.159 nan 8.370 nan 0.000 0.512 144 V N -0.142 119.850 119.914 0.130 0.000 2.334 144 V HA 0.520 4.639 4.120 -0.000 0.000 0.281 144 V C -1.064 175.028 176.094 -0.003 0.000 1.016 144 V CA -0.908 61.449 62.300 0.096 0.000 0.832 144 V CB 1.299 33.158 31.823 0.060 0.000 0.999 144 V HN -0.116 nan 8.190 nan 0.000 0.439 145 I N 5.662 126.150 120.570 -0.137 0.000 2.406 145 I HA 0.552 4.722 4.170 -0.000 0.000 0.290 145 I C 0.607 176.575 176.117 -0.247 0.000 0.999 145 I CA -0.259 60.826 61.300 -0.358 0.000 1.124 145 I CB 1.752 39.146 38.000 -1.011 0.000 1.289 145 I HN 0.763 nan 8.210 nan 0.000 0.441 146 K N 3.690 123.995 120.400 -0.159 0.000 2.380 146 K HA 0.468 4.787 4.320 -0.000 0.000 0.198 146 K C 0.227 176.777 176.600 -0.084 0.000 1.070 146 K CA 0.151 56.389 56.287 -0.081 0.000 1.040 146 K CB 1.422 33.905 32.500 -0.029 0.000 0.903 146 K HN 0.636 nan 8.250 nan 0.000 0.549 147 A N 1.600 124.328 122.820 -0.153 0.000 2.402 147 A HA 0.604 4.924 4.320 -0.000 0.000 0.291 147 A C -1.133 176.278 177.584 -0.289 0.000 1.051 147 A CA -0.611 51.325 52.037 -0.169 0.000 0.716 147 A CB 0.853 19.768 19.000 -0.141 0.000 1.223 147 A HN 0.090 nan 8.150 nan 0.000 0.425 148 I N 2.096 122.496 120.570 -0.282 0.000 2.474 148 I HA 0.535 4.705 4.170 -0.000 0.000 0.294 148 I C -0.673 175.238 176.117 -0.344 0.000 1.005 148 I CA -0.961 60.147 61.300 -0.320 0.000 1.113 148 I CB 2.263 40.100 38.000 -0.271 0.000 1.289 148 I HN 0.353 nan 8.210 nan 0.000 0.436 149 V N 6.616 126.310 119.914 -0.367 0.000 2.495 149 V HA 0.556 4.676 4.120 -0.000 0.000 0.298 149 V C -0.322 175.592 176.094 -0.299 0.000 1.031 149 V CA -0.624 61.470 62.300 -0.343 0.000 0.871 149 V CB 2.034 33.648 31.823 -0.348 0.000 0.988 149 V HN 0.399 nan 8.190 nan 0.000 0.432 150 V N 3.148 122.882 119.914 -0.300 0.000 2.876 150 V HA 0.795 4.915 4.120 -0.000 0.000 0.312 150 V C -0.215 175.797 176.094 -0.136 0.000 1.085 150 V CA -0.358 61.764 62.300 -0.297 0.000 0.945 150 V CB 2.414 33.966 31.823 -0.452 0.000 1.017 150 V HN 0.930 nan 8.190 nan 0.000 0.428 151 T N 0.523 114.937 114.554 -0.232 0.000 2.894 151 T HA 0.392 4.742 4.350 -0.000 0.000 0.309 151 T C -0.503 173.864 174.700 -0.555 0.000 1.208 151 T CA -0.205 61.663 62.100 -0.387 0.000 1.016 151 T CB 1.752 70.453 68.868 -0.278 0.000 1.192 151 T HN 0.931 nan 8.240 nan 0.000 0.491 152 D N 0.608 120.451 120.400 -0.929 0.000 2.349 152 D HA 0.266 4.905 4.640 -0.000 0.000 0.214 152 D C 1.427 177.533 176.300 -0.323 0.000 1.063 152 D CA 0.656 54.360 54.000 -0.493 0.000 0.847 152 D CB -0.282 40.304 40.800 -0.357 0.000 0.933 152 D HN 1.057 nan 8.370 nan 0.000 0.513 153 G N 0.906 109.503 108.800 -0.338 0.000 2.153 153 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.252 153 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.252 153 G C 0.754 175.566 174.900 -0.147 0.000 0.994 153 G CA 0.575 45.559 45.100 -0.194 0.000 0.698 153 G HN 0.505 nan 8.290 nan 0.000 0.521 154 E N -0.452 119.644 120.200 -0.173 0.000 2.230 154 E HA 0.085 4.435 4.350 -0.000 0.000 0.192 154 E C 1.461 178.021 176.600 -0.066 0.000 0.987 154 E CA 0.302 56.641 56.400 -0.101 0.000 0.841 154 E CB 0.092 29.741 29.700 -0.085 0.000 0.783 154 E HN 0.334 nan 8.360 nan 0.000 0.481 155 R N 1.301 121.763 120.500 -0.063 0.000 2.721 155 R HA 0.209 4.549 4.340 -0.000 0.000 0.272 155 R C -1.399 174.881 176.300 -0.033 0.000 1.721 155 R CA -0.426 55.657 56.100 -0.029 0.000 1.325 155 R CB 0.451 30.757 30.300 0.010 0.000 1.271 155 R HN 0.092 nan 8.270 nan 0.000 0.556 156 I N 5.442 125.983 120.570 -0.049 0.000 2.297 156 I HA 0.078 4.248 4.170 -0.000 0.000 0.291 156 I C 1.610 177.695 176.117 -0.053 0.000 1.033 156 I CA 0.090 61.356 61.300 -0.057 0.000 1.253 156 I CB 0.610 38.568 38.000 -0.071 0.000 1.396 156 I HN 0.401 nan 8.210 nan 0.000 0.476 157 L N 5.451 126.645 121.223 -0.049 0.000 5.840 157 L HA -0.298 4.042 4.340 -0.000 0.000 0.053 157 L C 1.756 178.605 176.870 -0.035 0.000 2.327 157 L CA 1.759 56.569 54.840 -0.050 0.000 1.715 157 L CB -2.104 39.905 42.059 -0.084 0.000 2.706 157 L HN 0.860 nan 8.230 nan 0.000 0.957 158 G N -1.035 107.741 108.800 -0.040 0.000 3.233 158 G HA2 0.432 4.392 3.960 -0.000 0.000 0.234 158 G HA3 0.432 4.392 3.960 -0.000 0.000 0.234 158 G C 0.862 175.741 174.900 -0.035 0.000 1.137 158 G CA 0.444 45.525 45.100 -0.030 0.000 0.763 158 G HN 0.642 nan 8.290 nan 0.000 0.549 159 L N 0.243 121.440 121.223 -0.044 0.000 2.592 159 L HA 0.302 4.642 4.340 -0.000 0.000 0.227 159 L C 1.861 178.703 176.870 -0.046 0.000 1.127 159 L CA 0.202 55.013 54.840 -0.047 0.000 0.884 159 L CB -0.498 41.528 42.059 -0.056 0.000 1.065 159 L HN 0.295 nan 8.230 nan 0.000 0.457 160 G N 1.123 109.898 108.800 -0.041 0.000 2.550 160 G HA2 -0.362 3.597 3.960 -0.000 0.000 0.277 160 G HA3 -0.362 3.597 3.960 -0.000 0.000 0.277 160 G C -0.235 174.635 174.900 -0.050 0.000 1.190 160 G CA 0.204 45.280 45.100 -0.040 0.000 0.971 160 G HN 0.345 nan 8.290 nan 0.000 0.559 161 D N 1.304 121.672 120.400 -0.053 0.000 2.365 161 D HA 0.449 5.089 4.640 -0.000 0.000 0.237 161 D C 1.250 177.510 176.300 -0.067 0.000 1.190 161 D CA -0.172 53.791 54.000 -0.061 0.000 0.867 161 D CB 0.170 40.933 40.800 -0.061 0.000 1.050 161 D HN 0.389 nan 8.370 nan 0.000 0.491 162 L N 3.259 124.446 121.223 -0.059 0.000 2.857 162 L HA 0.307 4.647 4.340 -0.000 0.000 0.249 162 L C 1.700 178.570 176.870 0.000 0.000 1.172 162 L CA -0.203 54.612 54.840 -0.042 0.000 0.980 162 L CB -0.028 42.010 42.059 -0.035 0.000 1.299 162 L HN 0.620 nan 8.230 nan 0.000 0.535 163 G N 0.531 109.327 108.800 -0.007 0.000 2.634 163 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.309 163 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.309 163 G C 0.961 175.917 174.900 0.094 0.000 1.265 163 G CA 0.404 45.545 45.100 0.068 0.000 0.998 163 G HN 0.286 nan 8.290 nan 0.000 0.551 164 C N 0.976 120.405 119.300 0.214 0.000 2.472 164 C HA 0.130 4.590 4.460 -0.000 0.000 0.278 164 C C 2.626 177.677 174.990 0.102 0.000 1.447 164 C CA 1.204 60.291 59.018 0.116 0.000 1.773 164 C CB -1.959 25.786 27.740 0.008 0.000 1.793 164 C HN 0.591 nan 8.230 nan 0.000 0.544 165 N N 1.094 119.882 118.700 0.147 0.000 2.519 165 N HA -0.026 4.714 4.740 -0.000 0.000 0.186 165 N C 1.754 177.120 175.510 -0.240 0.000 1.062 165 N CA 1.226 54.303 53.050 0.044 0.000 0.910 165 N CB -0.541 38.042 38.487 0.161 0.000 0.958 165 N HN 0.681 nan 8.380 nan 0.000 0.445 166 G N -0.008 108.695 108.800 -0.162 0.000 2.625 166 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.214 166 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.214 166 G C 1.457 176.183 174.900 -0.290 0.000 1.132 166 G CA 0.266 45.245 45.100 -0.202 0.000 0.782 166 G HN 0.210 nan 8.290 nan 0.000 0.538 167 M N 1.899 121.257 119.600 -0.404 0.000 2.202 167 M HA 0.061 4.541 4.480 -0.000 0.000 0.262 167 M C 2.402 178.507 176.300 -0.325 0.000 1.063 167 M CA 1.544 56.615 55.300 -0.383 0.000 1.097 167 M CB -0.916 31.517 32.600 -0.278 0.000 1.382 167 M HN 0.095 nan 8.290 nan 0.000 0.413 168 G N 0.754 109.226 108.800 -0.547 0.000 2.507 168 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.221 168 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.221 168 G C 1.453 176.399 174.900 0.076 0.000 1.119 168 G CA 1.281 46.371 45.100 -0.017 0.000 0.751 168 G HN 0.497 nan 8.290 nan 0.000 0.574 169 I N 1.786 122.346 120.570 -0.017 0.000 2.163 169 I HA -0.058 4.112 4.170 -0.000 0.000 0.240 169 I C 0.001 176.170 176.117 0.087 0.000 1.081 169 I CA 1.100 62.447 61.300 0.079 0.000 1.353 169 I CB -1.950 36.053 38.000 0.006 0.000 1.054 169 I HN 0.110 nan 8.210 nan 0.000 0.407 170 P HA -0.072 nan 4.420 nan 0.000 0.217 170 P C 2.225 179.487 177.300 -0.064 0.000 1.150 170 P CA 1.033 64.071 63.100 -0.104 0.000 0.832 170 P CB -0.022 31.564 31.700 -0.189 0.000 0.787 171 V N 0.136 120.052 119.914 0.002 0.000 2.295 171 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 171 V C 2.636 178.815 176.094 0.141 0.000 1.049 171 V CA 2.535 64.876 62.300 0.069 0.000 1.024 171 V CB -1.927 29.975 31.823 0.131 0.000 0.648 171 V HN 0.174 nan 8.190 nan 0.000 0.447 172 G N -0.309 108.627 108.800 0.227 0.000 2.402 172 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 172 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 172 G C 1.601 176.549 174.900 0.081 0.000 1.162 172 G CA 1.099 46.387 45.100 0.313 0.000 0.777 172 G HN 0.454 nan 8.290 nan 0.000 0.539 173 K N 0.330 120.670 120.400 -0.100 0.000 2.057 173 K HA 0.106 4.426 4.320 -0.000 0.000 0.207 173 K C 2.419 179.008 176.600 -0.018 0.000 1.049 173 K CA 0.906 56.976 56.287 -0.362 0.000 0.931 173 K CB -0.486 31.818 32.500 -0.327 0.000 0.714 173 K HN 0.354 nan 8.250 nan 0.000 0.440 174 L N -0.335 120.870 121.223 -0.030 0.000 2.179 174 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 174 L C 2.369 179.343 176.870 0.173 0.000 1.096 174 L CA 0.850 55.678 54.840 -0.020 0.000 0.779 174 L CB -0.602 41.373 42.059 -0.141 0.000 0.922 174 L HN 0.215 nan 8.230 nan 0.000 0.443 175 A N 0.819 123.785 122.820 0.244 0.000 1.903 175 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 175 A C 2.215 180.001 177.584 0.336 0.000 1.191 175 A CA 1.902 54.198 52.037 0.432 0.000 0.638 175 A CB -0.856 18.417 19.000 0.455 0.000 0.823 175 A HN 0.408 nan 8.150 nan 0.000 0.451 176 L N -2.689 118.688 121.223 0.256 0.000 2.156 176 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 176 L C 2.519 179.534 176.870 0.242 0.000 1.095 176 L CA 0.935 55.909 54.840 0.224 0.000 0.770 176 L CB -0.665 41.536 42.059 0.237 0.000 0.914 176 L HN 0.390 nan 8.230 nan 0.000 0.439 177 Y N 0.719 121.120 120.300 0.168 0.000 2.128 177 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 177 Y C 2.916 178.801 175.900 -0.026 0.000 1.154 177 Y CA 1.980 60.148 58.100 0.113 0.000 1.149 177 Y CB -0.953 37.560 38.460 0.088 0.000 0.976 177 Y HN 0.087 nan 8.280 nan 0.000 0.505 178 T N -0.495 114.097 114.554 0.062 0.000 2.777 178 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 178 T C 2.123 176.718 174.700 -0.175 0.000 1.040 178 T CA 1.308 63.268 62.100 -0.233 0.000 1.141 178 T CB -0.530 67.903 68.868 -0.726 0.000 0.868 178 T HN 0.415 nan 8.240 nan 0.000 0.444 179 A N 0.231 123.028 122.820 -0.038 0.000 1.874 179 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 179 A C 2.580 180.157 177.584 -0.011 0.000 1.189 179 A CA 1.151 53.204 52.037 0.027 0.000 0.615 179 A CB -0.933 18.132 19.000 0.108 0.000 0.830 179 A HN 0.631 nan 8.150 nan 0.000 0.443 180 C N -1.443 117.833 119.300 -0.041 0.000 2.485 180 C HA 0.274 4.733 4.460 -0.000 0.000 0.278 180 C C 2.661 177.589 174.990 -0.104 0.000 1.356 180 C CA 0.397 59.356 59.018 -0.099 0.000 1.747 180 C CB -0.944 26.680 27.740 -0.193 0.000 2.001 180 C HN 0.676 nan 8.230 nan 0.000 0.501 181 G N -1.040 107.705 108.800 -0.092 0.000 2.784 181 G HA2 0.408 4.368 3.960 -0.000 0.000 0.208 181 G HA3 0.408 4.368 3.960 -0.000 0.000 0.208 181 G C 1.204 176.079 174.900 -0.042 0.000 1.120 181 G CA 0.870 45.919 45.100 -0.085 0.000 0.774 181 G HN 0.875 nan 8.290 nan 0.000 0.528 182 G N 0.277 109.060 108.800 -0.030 0.000 2.137 182 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.237 182 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.237 182 G C 0.483 175.376 174.900 -0.012 0.000 1.002 182 G CA 0.155 45.256 45.100 0.002 0.000 0.702 182 G HN 0.247 nan 8.290 nan 0.000 0.515 183 M N 0.669 120.249 119.600 -0.032 0.000 2.251 183 M HA 0.086 4.566 4.480 -0.000 0.000 0.343 183 M C 0.904 177.094 176.300 -0.184 0.000 1.245 183 M CA -0.293 54.982 55.300 -0.043 0.000 1.061 183 M CB 0.081 32.709 32.600 0.046 0.000 1.723 183 M HN 0.283 nan 8.290 nan 0.000 0.449 184 N N 6.335 124.947 118.700 -0.147 0.000 2.440 184 N HA 0.027 4.766 4.740 -0.000 0.000 0.265 184 N C -1.665 173.664 175.510 -0.300 0.000 1.239 184 N CA -1.170 51.736 53.050 -0.240 0.000 0.909 184 N CB 0.842 39.277 38.487 -0.087 0.000 1.066 184 N HN 0.366 nan 8.380 nan 0.000 0.474 185 P HA -0.144 nan 4.420 nan 0.000 0.218 185 P C 0.655 177.902 177.300 -0.088 0.000 1.149 185 P CA 1.203 64.152 63.100 -0.252 0.000 0.817 185 P CB 0.357 31.919 31.700 -0.229 0.000 0.785 186 Q N -0.121 119.602 119.800 -0.128 0.000 2.508 186 Q HA -0.121 4.219 4.340 -0.000 0.000 0.214 186 Q C 1.042 177.014 176.000 -0.046 0.000 0.979 186 Q CA 0.934 56.668 55.803 -0.116 0.000 0.911 186 Q CB -0.224 28.354 28.738 -0.266 0.000 0.969 186 Q HN 0.519 nan 8.270 nan 0.000 0.504 187 E N -0.994 119.167 120.200 -0.065 0.000 2.558 187 E HA 0.117 4.467 4.350 -0.000 0.000 0.205 187 E C -0.588 175.949 176.600 -0.104 0.000 1.006 187 E CA -0.384 55.977 56.400 -0.066 0.000 0.961 187 E CB 0.738 30.398 29.700 -0.068 0.000 1.044 187 E HN 0.130 nan 8.360 nan 0.000 0.465 188 C N 1.238 120.489 119.300 -0.083 0.000 2.376 188 C HA 0.553 5.012 4.460 -0.000 0.000 0.335 188 C C -0.417 174.486 174.990 -0.144 0.000 1.229 188 C CA -0.917 58.013 59.018 -0.147 0.000 1.867 188 C CB 0.608 28.267 27.740 -0.135 0.000 2.319 188 C HN 0.326 nan 8.230 nan 0.000 0.515 189 L N 6.134 127.173 121.223 -0.307 0.000 2.442 189 L HA 0.544 4.884 4.340 -0.000 0.000 0.261 189 L C -2.622 173.974 176.870 -0.457 0.000 1.000 189 L CA -1.975 52.570 54.840 -0.492 0.000 0.882 189 L CB 1.044 42.716 42.059 -0.644 0.000 1.207 189 L HN 0.403 nan 8.230 nan 0.000 0.443 190 P HA 0.345 nan 4.420 nan 0.000 0.280 190 P C -1.132 175.914 177.300 -0.423 0.000 1.244 190 P CA -0.140 62.753 63.100 -0.345 0.000 0.784 190 P CB 1.612 33.174 31.700 -0.230 0.000 0.913 191 V N 4.603 124.294 119.914 -0.371 0.000 2.760 191 V HA 0.454 4.574 4.120 -0.000 0.000 0.309 191 V C -0.082 175.783 176.094 -0.382 0.000 1.077 191 V CA -0.691 61.381 62.300 -0.380 0.000 0.910 191 V CB 2.365 34.018 31.823 -0.283 0.000 1.008 191 V HN 0.468 nan 8.190 nan 0.000 0.424 192 I N 4.491 124.814 120.570 -0.411 0.000 2.433 192 I HA 0.535 4.705 4.170 -0.000 0.000 0.292 192 I C -0.917 175.061 176.117 -0.231 0.000 1.001 192 I CA -0.561 60.547 61.300 -0.321 0.000 1.119 192 I CB 1.414 39.244 38.000 -0.283 0.000 1.289 192 I HN 0.527 nan 8.210 nan 0.000 0.438 193 L N 6.843 127.927 121.223 -0.231 0.000 2.260 193 L HA 0.370 4.710 4.340 -0.000 0.000 0.289 193 L C -0.612 176.266 176.870 0.013 0.000 1.057 193 L CA -0.380 54.406 54.840 -0.091 0.000 0.811 193 L CB 0.625 42.590 42.059 -0.157 0.000 1.184 193 L HN 0.531 nan 8.230 nan 0.000 0.429 194 D N 3.361 123.799 120.400 0.063 0.000 2.373 194 D HA 0.237 4.877 4.640 -0.000 0.000 0.227 194 D C 0.400 176.673 176.300 -0.044 0.000 1.091 194 D CA -0.320 53.692 54.000 0.019 0.000 0.840 194 D CB 1.853 42.663 40.800 0.016 0.000 1.060 194 D HN 0.295 nan 8.370 nan 0.000 0.502 195 V N 1.606 121.511 119.914 -0.014 0.000 3.276 195 V HA 0.674 4.794 4.120 -0.000 0.000 0.319 195 V C 0.782 176.852 176.094 -0.041 0.000 1.427 195 V CA 0.442 62.703 62.300 -0.064 0.000 1.102 195 V CB -0.258 31.623 31.823 0.097 0.000 1.020 195 V HN 0.695 nan 8.190 nan 0.000 0.456 196 G N -0.122 108.667 108.800 -0.020 0.000 2.498 196 G HA2 0.275 4.235 3.960 -0.000 0.000 0.651 196 G HA3 0.275 4.235 3.960 -0.000 0.000 0.651 196 G C -0.459 174.456 174.900 0.025 0.000 1.284 196 G CA 0.043 45.149 45.100 0.010 0.000 0.950 196 G HN 1.315 nan 8.290 nan 0.000 0.511 197 T N -1.397 113.159 114.554 0.004 0.000 2.894 197 T HA 0.606 4.956 4.350 -0.000 0.000 0.309 197 T C 0.011 174.675 174.700 -0.061 0.000 1.208 197 T CA 0.091 62.170 62.100 -0.036 0.000 1.016 197 T CB 1.858 70.683 68.868 -0.071 0.000 1.192 197 T HN 0.478 nan 8.240 nan 0.000 0.491 198 E N 1.862 122.022 120.200 -0.067 0.000 2.474 198 E HA 0.088 4.438 4.350 -0.000 0.000 0.195 198 E C 0.347 176.897 176.600 -0.083 0.000 1.039 198 E CA -0.120 56.241 56.400 -0.066 0.000 0.881 198 E CB 0.105 29.773 29.700 -0.054 0.000 0.970 198 E HN 0.488 nan 8.360 nan 0.000 0.486 199 N N 2.081 120.713 118.700 -0.114 0.000 2.416 199 N HA -0.058 4.682 4.740 -0.000 0.000 0.265 199 N C 0.838 176.260 175.510 -0.146 0.000 1.195 199 N CA 0.249 53.220 53.050 -0.132 0.000 0.943 199 N CB 1.084 39.470 38.487 -0.169 0.000 1.115 199 N HN -0.099 nan 8.380 nan 0.000 0.481 200 E N 3.058 123.195 120.200 -0.104 0.000 2.051 200 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 200 E C 1.075 177.613 176.600 -0.103 0.000 0.991 200 E CA 1.531 57.877 56.400 -0.090 0.000 0.799 200 E CB 0.164 29.825 29.700 -0.064 0.000 0.748 200 E HN 0.679 nan 8.360 nan 0.000 0.449 201 E N -0.067 120.071 120.200 -0.103 0.000 2.085 201 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 201 E C 2.230 178.747 176.600 -0.139 0.000 0.994 201 E CA 1.103 57.445 56.400 -0.097 0.000 0.801 201 E CB -0.199 29.451 29.700 -0.083 0.000 0.743 201 E HN 0.295 nan 8.360 nan 0.000 0.453 202 L N 0.552 121.634 121.223 -0.235 0.000 2.027 202 L HA -0.179 4.160 4.340 -0.000 0.000 0.206 202 L C 2.535 179.160 176.870 -0.408 0.000 1.074 202 L CA 0.825 55.408 54.840 -0.429 0.000 0.745 202 L CB -0.412 41.176 42.059 -0.785 0.000 0.898 202 L HN 0.139 nan 8.230 nan 0.000 0.433 203 L N -0.503 120.535 121.223 -0.308 0.000 2.127 203 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 203 L C 2.803 179.633 176.870 -0.068 0.000 1.089 203 L CA 1.084 55.831 54.840 -0.155 0.000 0.757 203 L CB -0.613 41.383 42.059 -0.105 0.000 0.899 203 L HN 0.063 nan 8.230 nan 0.000 0.434 204 K N -1.384 118.973 120.400 -0.073 0.000 2.167 204 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 204 K C 0.617 177.210 176.600 -0.013 0.000 1.052 204 K CA 0.382 56.648 56.287 -0.035 0.000 0.956 204 K CB -0.523 31.954 32.500 -0.038 0.000 0.735 204 K HN 0.297 nan 8.250 nan 0.000 0.451 205 D N 0.872 121.264 120.400 -0.015 0.000 2.358 205 D HA 0.058 4.698 4.640 -0.000 0.000 0.258 205 D C -1.663 174.676 176.300 0.065 0.000 1.223 205 D CA -2.165 51.850 54.000 0.025 0.000 0.886 205 D CB 1.554 42.373 40.800 0.033 0.000 1.120 205 D HN 0.039 nan 8.370 nan 0.000 0.482 206 P HA -0.109 nan 4.420 nan 0.000 0.221 206 P C 1.395 178.724 177.300 0.048 0.000 1.145 206 P CA 0.735 63.860 63.100 0.042 0.000 0.795 206 P CB 0.328 32.042 31.700 0.024 0.000 0.775 207 L N -2.915 118.346 121.223 0.063 0.000 2.558 207 L HA 0.088 4.428 4.340 -0.000 0.000 0.225 207 L C 1.166 178.082 176.870 0.076 0.000 1.128 207 L CA -0.485 54.388 54.840 0.054 0.000 0.868 207 L CB -0.747 41.347 42.059 0.059 0.000 1.006 207 L HN -0.084 nan 8.230 nan 0.000 0.454 208 Y N 2.476 122.758 120.300 -0.030 0.000 2.805 208 Y HA -0.114 4.436 4.550 -0.000 0.000 0.331 208 Y C 1.372 177.223 175.900 -0.081 0.000 1.241 208 Y CA -0.297 57.779 58.100 -0.040 0.000 1.546 208 Y CB 0.422 38.863 38.460 -0.032 0.000 1.248 208 Y HN 0.130 nan 8.280 nan 0.000 0.559 209 I N 3.021 123.207 120.570 -0.640 0.000 3.578 209 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 209 I C 1.024 176.626 176.117 -0.859 0.000 1.280 209 I CA 0.322 61.212 61.300 -0.683 0.000 1.347 209 I CB -0.448 37.157 38.000 -0.658 0.000 1.051 209 I HN 0.617 nan 8.210 nan 0.000 0.460 210 G N 1.758 109.609 108.800 -1.581 0.000 2.531 210 G HA2 0.533 4.493 3.960 -0.000 0.000 0.281 210 G HA3 0.533 4.493 3.960 -0.000 0.000 0.281 210 G C -0.362 174.308 174.900 -0.382 0.000 1.382 210 G CA -0.897 43.661 45.100 -0.904 0.000 1.045 210 G HN 0.157 nan 8.290 nan 0.000 0.533 211 L N 0.387 121.563 121.223 -0.079 0.000 2.319 211 L HA 0.310 4.650 4.340 -0.000 0.000 0.280 211 L C 1.042 178.007 176.870 0.158 0.000 1.099 211 L CA -0.308 54.538 54.840 0.009 0.000 0.828 211 L CB 1.087 43.112 42.059 -0.056 0.000 1.150 211 L HN 0.430 nan 8.230 nan 0.000 0.442 212 R N 4.571 125.151 120.500 0.133 0.000 3.710 212 R HA 0.109 4.449 4.340 -0.000 0.000 0.201 212 R C -0.685 175.663 176.300 0.080 0.000 1.641 212 R CA -0.018 56.170 56.100 0.147 0.000 1.390 212 R CB -0.009 30.363 30.300 0.120 0.000 1.341 212 R HN 0.720 nan 8.270 nan 0.000 0.728 213 Q N 0.770 120.608 119.800 0.065 0.000 2.633 213 Q HA 0.361 4.700 4.340 -0.000 0.000 0.289 213 Q C -1.093 174.914 176.000 0.011 0.000 0.940 213 Q CA -1.211 54.611 55.803 0.032 0.000 0.785 213 Q CB 1.105 29.865 28.738 0.037 0.000 1.467 213 Q HN 0.118 nan 8.270 nan 0.000 0.401 214 R N 0.576 121.076 120.500 -0.000 0.000 2.726 214 R HA 0.344 4.684 4.340 -0.000 0.000 0.272 214 R C -0.222 176.072 176.300 -0.010 0.000 1.097 214 R CA -0.569 55.523 56.100 -0.012 0.000 1.198 214 R CB 0.388 30.679 30.300 -0.015 0.000 1.114 214 R HN 0.482 nan 8.270 nan 0.000 0.550 215 R N 0.637 121.127 120.500 -0.017 0.000 2.442 215 R HA 0.099 4.439 4.340 -0.000 0.000 0.291 215 R C -0.246 176.052 176.300 -0.002 0.000 1.069 215 R CA -0.305 55.789 56.100 -0.010 0.000 1.022 215 R CB 0.454 30.736 30.300 -0.029 0.000 0.976 215 R HN 0.253 nan 8.270 nan 0.000 0.443 216 V N 5.555 125.485 119.914 0.027 0.000 2.585 216 V HA 0.063 4.183 4.120 -0.000 0.000 0.296 216 V C 0.788 176.925 176.094 0.071 0.000 1.035 216 V CA 0.395 62.728 62.300 0.055 0.000 1.084 216 V CB 0.332 32.192 31.823 0.061 0.000 0.953 216 V HN 0.709 nan 8.190 nan 0.000 0.483 217 R N 3.225 123.746 120.500 0.034 0.000 2.939 217 R HA 0.795 5.135 4.340 -0.000 0.000 0.254 217 R C 0.499 176.833 176.300 0.057 0.000 1.123 217 R CA -0.027 56.055 56.100 -0.030 0.000 1.020 217 R CB 0.999 31.264 30.300 -0.058 0.000 1.206 217 R HN 0.976 nan 8.270 nan 0.000 0.491 218 G N 0.444 109.269 108.800 0.042 0.000 2.562 218 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.250 218 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.250 218 G C 0.779 175.772 174.900 0.154 0.000 1.269 218 G CA 0.581 45.731 45.100 0.083 0.000 0.919 218 G HN 0.680 nan 8.290 nan 0.000 0.574 219 S N -0.412 115.358 115.700 0.116 0.000 2.370 219 S HA -0.143 4.327 4.470 -0.000 0.000 0.226 219 S C 2.260 176.948 174.600 0.146 0.000 1.033 219 S CA 2.430 60.702 58.200 0.120 0.000 1.011 219 S CB -0.454 62.795 63.200 0.082 0.000 0.852 219 S HN 1.109 nan 8.310 nan 0.000 0.457 220 E N -0.237 120.047 120.200 0.139 0.000 2.070 220 E HA -0.158 4.192 4.350 -0.000 0.000 0.197 220 E C 1.715 178.436 176.600 0.202 0.000 1.004 220 E CA 1.473 57.955 56.400 0.138 0.000 0.805 220 E CB -1.132 28.628 29.700 0.100 0.000 0.744 220 E HN 0.889 nan 8.360 nan 0.000 0.451 221 Y N 1.984 122.355 120.300 0.117 0.000 2.145 221 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 221 Y C 1.948 177.991 175.900 0.237 0.000 1.145 221 Y CA 2.122 60.332 58.100 0.184 0.000 1.148 221 Y CB -0.262 38.281 38.460 0.139 0.000 0.981 221 Y HN 0.129 nan 8.280 nan 0.000 0.507 222 D N -0.017 120.574 120.400 0.318 0.000 2.144 222 D HA -0.168 4.471 4.640 -0.000 0.000 0.199 222 D C 1.650 178.042 176.300 0.153 0.000 0.984 222 D CA 1.604 55.735 54.000 0.219 0.000 0.834 222 D CB -0.414 40.506 40.800 0.200 0.000 0.955 222 D HN 0.452 nan 8.370 nan 0.000 0.465 223 D N -0.319 120.176 120.400 0.158 0.000 2.183 223 D HA -0.103 4.537 4.640 -0.000 0.000 0.203 223 D C 1.762 178.161 176.300 0.166 0.000 0.969 223 D CA 0.198 54.285 54.000 0.145 0.000 0.842 223 D CB -0.362 40.516 40.800 0.130 0.000 0.957 223 D HN 0.141 nan 8.370 nan 0.000 0.484 224 F N 1.295 121.241 119.950 -0.008 0.000 2.102 224 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 224 F C 1.993 177.775 175.800 -0.030 0.000 1.105 224 F CA 0.946 58.922 58.000 -0.040 0.000 1.239 224 F CB -0.481 38.452 39.000 -0.111 0.000 0.991 224 F HN -0.138 nan 8.300 nan 0.000 0.474 225 L N 0.354 121.485 121.223 -0.154 0.000 2.056 225 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 225 L C 2.142 179.013 176.870 0.003 0.000 1.078 225 L CA 1.732 56.477 54.840 -0.159 0.000 0.749 225 L CB -0.935 41.122 42.059 -0.004 0.000 0.901 225 L HN 0.026 nan 8.230 nan 0.000 0.433 226 D N -0.643 119.820 120.400 0.105 0.000 2.123 226 D HA -0.243 4.397 4.640 -0.000 0.000 0.196 226 D C 2.097 178.396 176.300 -0.002 0.000 0.992 226 D CA 1.219 55.289 54.000 0.118 0.000 0.833 226 D CB 0.009 40.910 40.800 0.169 0.000 0.954 226 D HN 0.409 nan 8.370 nan 0.000 0.455 227 E N -0.693 119.504 120.200 -0.006 0.000 2.072 227 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 227 E C 2.026 178.571 176.600 -0.092 0.000 0.985 227 E CA 0.357 56.741 56.400 -0.027 0.000 0.801 227 E CB -0.187 29.527 29.700 0.024 0.000 0.750 227 E HN 0.191 nan 8.360 nan 0.000 0.452 228 F N 1.492 121.243 119.950 -0.332 0.000 2.063 228 F HA -0.310 4.217 4.527 -0.000 0.000 0.298 228 F C 2.190 177.764 175.800 -0.375 0.000 1.109 228 F CA 1.810 59.581 58.000 -0.382 0.000 1.212 228 F CB -0.284 38.412 39.000 -0.508 0.000 0.973 228 F HN 0.054 nan 8.300 nan 0.000 0.480 229 M N 0.150 119.409 119.600 -0.568 0.000 2.117 229 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 229 M C 2.095 177.973 176.300 -0.705 0.000 1.065 229 M CA 1.653 56.367 55.300 -0.976 0.000 1.114 229 M CB -1.497 30.250 32.600 -1.423 0.000 1.361 229 M HN 0.284 nan 8.290 nan 0.000 0.408 230 E N 0.597 120.589 120.200 -0.346 0.000 2.058 230 E HA -0.149 4.200 4.350 -0.000 0.000 0.194 230 E C 2.159 178.670 176.600 -0.149 0.000 0.997 230 E CA 1.466 57.808 56.400 -0.097 0.000 0.801 230 E CB -0.191 29.499 29.700 -0.017 0.000 0.746 230 E HN 0.521 nan 8.360 nan 0.000 0.450 231 A N 0.867 123.556 122.820 -0.218 0.000 1.877 231 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 231 A C 2.525 179.944 177.584 -0.275 0.000 1.186 231 A CA 1.353 53.265 52.037 -0.209 0.000 0.620 231 A CB -0.821 18.075 19.000 -0.174 0.000 0.822 231 A HN 0.127 nan 8.150 nan 0.000 0.443 232 V N 1.031 120.694 119.914 -0.418 0.000 2.233 232 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 232 V C 3.059 179.063 176.094 -0.151 0.000 1.050 232 V CA 2.630 64.731 62.300 -0.332 0.000 1.010 232 V CB -0.982 30.455 31.823 -0.644 0.000 0.637 232 V HN 0.829 nan 8.190 nan 0.000 0.444 233 S N -1.004 114.608 115.700 -0.146 0.000 2.400 233 S HA -0.222 4.248 4.470 -0.000 0.000 0.232 233 S C 2.102 176.698 174.600 -0.007 0.000 1.025 233 S CA 1.852 60.065 58.200 0.023 0.000 0.993 233 S CB -0.519 62.817 63.200 0.228 0.000 0.808 233 S HN 0.493 nan 8.310 nan 0.000 0.478 234 S N 1.803 117.461 115.700 -0.069 0.000 2.362 234 S HA 0.012 4.482 4.470 -0.000 0.000 0.221 234 S C 1.944 176.460 174.600 -0.140 0.000 1.032 234 S CA 1.259 59.413 58.200 -0.077 0.000 0.973 234 S CB -0.416 62.738 63.200 -0.077 0.000 0.849 234 S HN 0.684 nan 8.310 nan 0.000 0.465 235 K N -0.823 119.413 120.400 -0.273 0.000 2.097 235 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 235 K C 1.138 177.462 176.600 -0.462 0.000 1.050 235 K CA 1.502 57.514 56.287 -0.458 0.000 0.938 235 K CB -0.196 31.852 32.500 -0.753 0.000 0.718 235 K HN 0.568 nan 8.250 nan 0.000 0.442 236 Y N -0.316 119.956 120.300 -0.047 0.000 2.467 236 Y HA 0.286 4.836 4.550 -0.000 0.000 0.250 236 Y C 0.521 176.411 175.900 -0.017 0.000 1.155 236 Y CA -0.219 57.860 58.100 -0.034 0.000 1.249 236 Y CB 1.511 39.934 38.460 -0.062 0.000 1.146 236 Y HN 0.240 nan 8.280 nan 0.000 0.524 237 G N 0.028 108.881 108.800 0.088 0.000 2.692 237 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.686 237 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.686 237 G C 0.494 175.442 174.900 0.080 0.000 1.243 237 G CA -0.275 44.868 45.100 0.071 0.000 0.782 237 G HN 0.269 nan 8.290 nan 0.000 0.625 238 M N 0.879 120.519 119.600 0.066 0.000 2.549 238 M HA 0.100 4.580 4.480 -0.000 0.000 0.260 238 M C 1.904 178.252 176.300 0.081 0.000 1.076 238 M CA 2.590 57.936 55.300 0.077 0.000 1.090 238 M CB -1.025 31.591 32.600 0.027 0.000 1.418 238 M HN 0.659 nan 8.290 nan 0.000 0.486 239 N N -0.012 118.732 118.700 0.073 0.000 2.515 239 N HA 0.054 4.794 4.740 -0.000 0.000 0.185 239 N C 0.546 176.099 175.510 0.073 0.000 1.109 239 N CA 0.383 53.476 53.050 0.071 0.000 0.903 239 N CB -0.430 38.096 38.487 0.065 0.000 0.969 239 N HN 0.738 nan 8.380 nan 0.000 0.450 240 C N 1.844 121.186 119.300 0.070 0.000 2.648 240 C HA 0.234 4.693 4.460 -0.000 0.000 0.415 240 C C 0.774 175.786 174.990 0.036 0.000 1.366 240 C CA -0.997 58.042 59.018 0.036 0.000 1.756 240 C CB -1.425 26.334 27.740 0.031 0.000 2.549 240 C HN 0.306 nan 8.230 nan 0.000 0.597 241 L N 7.712 128.955 121.223 0.034 0.000 2.319 241 L HA 0.559 4.899 4.340 -0.000 0.000 0.280 241 L C -0.446 176.434 176.870 0.016 0.000 1.099 241 L CA -0.027 54.869 54.840 0.094 0.000 0.828 241 L CB 0.364 42.527 42.059 0.173 0.000 1.150 241 L HN 0.653 nan 8.230 nan 0.000 0.442 242 I N 5.729 126.320 120.570 0.035 0.000 2.437 242 I HA 0.274 4.444 4.170 -0.000 0.000 0.279 242 I C -0.462 175.606 176.117 -0.081 0.000 1.028 242 I CA -0.316 60.931 61.300 -0.088 0.000 1.142 242 I CB 1.415 39.341 38.000 -0.123 0.000 1.266 242 I HN 0.622 nan 8.210 nan 0.000 0.461 243 Q N 6.236 125.897 119.800 -0.232 0.000 2.290 243 Q HA 0.438 4.778 4.340 -0.000 0.000 0.259 243 Q C -1.357 174.451 176.000 -0.320 0.000 0.941 243 Q CA -0.604 54.971 55.803 -0.380 0.000 0.912 243 Q CB 1.404 29.822 28.738 -0.532 0.000 1.244 243 Q HN 0.385 nan 8.270 nan 0.000 0.441 244 F N 2.119 121.903 119.950 -0.277 0.000 2.370 244 F HA 0.390 4.917 4.527 -0.000 0.000 0.324 244 F C 0.361 176.117 175.800 -0.072 0.000 1.116 244 F CA -0.364 57.557 58.000 -0.132 0.000 1.123 244 F CB 1.243 40.063 39.000 -0.300 0.000 1.238 244 F HN 0.546 nan 8.300 nan 0.000 0.536 245 E N 0.515 120.909 120.200 0.324 0.000 2.388 245 E HA 0.245 4.594 4.350 -0.000 0.000 0.289 245 E C -1.412 175.333 176.600 0.242 0.000 0.944 245 E CA -0.460 56.050 56.400 0.182 0.000 0.792 245 E CB 0.878 30.598 29.700 0.033 0.000 1.239 245 E HN 0.516 nan 8.360 nan 0.000 0.412 246 D N 2.357 122.858 120.400 0.170 0.000 2.772 246 D HA -0.205 4.435 4.640 -0.000 0.000 0.233 246 D C -0.692 175.634 176.300 0.044 0.000 1.143 246 D CA 1.038 55.084 54.000 0.076 0.000 0.700 246 D CB -1.267 39.526 40.800 -0.012 0.000 1.076 246 D HN 0.224 nan 8.370 nan 0.000 0.430 247 F N 0.502 120.472 119.950 0.033 0.000 2.378 247 F HA 0.540 5.067 4.527 -0.000 0.000 0.319 247 F C 1.532 177.347 175.800 0.025 0.000 1.155 247 F CA -0.349 57.682 58.000 0.051 0.000 1.157 247 F CB 0.486 39.543 39.000 0.095 0.000 1.252 247 F HN -0.025 nan 8.300 nan 0.000 0.550 248 A N 1.150 124.090 122.820 0.200 0.000 2.386 248 A HA 0.358 4.678 4.320 -0.000 0.000 0.246 248 A C 1.251 178.917 177.584 0.136 0.000 1.089 248 A CA 0.238 52.344 52.037 0.114 0.000 0.790 248 A CB -0.762 18.273 19.000 0.058 0.000 1.042 248 A HN 0.991 nan 8.150 nan 0.000 0.497 249 N N -0.140 118.629 118.700 0.114 0.000 2.036 249 N HA -0.173 4.567 4.740 -0.000 0.000 0.195 249 N C 1.620 177.256 175.510 0.209 0.000 1.037 249 N CA 2.470 55.618 53.050 0.163 0.000 0.855 249 N CB -0.995 37.581 38.487 0.148 0.000 1.033 249 N HN 0.567 nan 8.380 nan 0.000 0.423 250 V N 1.316 121.310 119.914 0.133 0.000 2.307 250 V HA -0.190 3.929 4.120 -0.000 0.000 0.245 250 V C 1.989 178.146 176.094 0.104 0.000 1.045 250 V CA 1.569 63.935 62.300 0.110 0.000 1.024 250 V CB -0.682 31.166 31.823 0.041 0.000 0.651 250 V HN 0.571 nan 8.190 nan 0.000 0.449 251 N N 0.499 119.255 118.700 0.093 0.000 2.166 251 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 251 N C 1.881 177.384 175.510 -0.012 0.000 1.019 251 N CA 1.632 54.739 53.050 0.095 0.000 0.856 251 N CB -0.429 38.197 38.487 0.232 0.000 0.993 251 N HN 0.507 nan 8.380 nan 0.000 0.426 252 A N 0.370 123.190 122.820 0.001 0.000 1.877 252 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 252 A C 2.065 179.471 177.584 -0.297 0.000 1.186 252 A CA 1.065 52.989 52.037 -0.189 0.000 0.620 252 A CB -0.936 17.984 19.000 -0.133 0.000 0.822 252 A HN 0.198 nan 8.150 nan 0.000 0.443 253 F N -0.578 119.302 119.950 -0.117 0.000 2.113 253 F HA -0.078 4.449 4.527 -0.000 0.000 0.297 253 F C 2.546 178.249 175.800 -0.161 0.000 1.103 253 F CA 1.633 59.557 58.000 -0.126 0.000 1.248 253 F CB -0.302 38.644 39.000 -0.090 0.000 0.999 253 F HN 0.103 nan 8.300 nan 0.000 0.475 254 R N 0.671 121.197 120.500 0.043 0.000 2.094 254 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 254 R C 2.158 178.335 176.300 -0.205 0.000 1.137 254 R CA 1.925 57.992 56.100 -0.056 0.000 0.943 254 R CB -0.796 29.486 30.300 -0.030 0.000 0.850 254 R HN 0.322 nan 8.270 nan 0.000 0.433 255 L N 0.426 121.473 121.223 -0.293 0.000 2.072 255 L HA -0.181 4.159 4.340 -0.000 0.000 0.205 255 L C 2.517 179.068 176.870 -0.531 0.000 1.079 255 L CA 0.377 54.914 54.840 -0.505 0.000 0.752 255 L CB -0.530 41.204 42.059 -0.541 0.000 0.906 255 L HN 0.224 nan 8.230 nan 0.000 0.436 256 L N 0.571 121.515 121.223 -0.464 0.000 1.971 256 L HA -0.245 4.094 4.340 -0.000 0.000 0.215 256 L C 2.261 179.035 176.870 -0.160 0.000 1.072 256 L CA 1.972 56.621 54.840 -0.318 0.000 0.758 256 L CB -0.937 40.944 42.059 -0.297 0.000 0.889 256 L HN 0.262 nan 8.230 nan 0.000 0.433 257 N N -0.168 118.454 118.700 -0.131 0.000 2.244 257 N HA -0.195 4.545 4.740 -0.000 0.000 0.183 257 N C 1.825 177.274 175.510 -0.102 0.000 1.016 257 N CA 1.237 54.246 53.050 -0.068 0.000 0.866 257 N CB -0.257 38.214 38.487 -0.026 0.000 0.980 257 N HN 0.485 nan 8.380 nan 0.000 0.430 258 K N -0.161 120.098 120.400 -0.235 0.000 2.148 258 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 258 K C 1.070 177.555 176.600 -0.193 0.000 1.050 258 K CA 1.120 57.217 56.287 -0.316 0.000 0.942 258 K CB 0.053 32.187 32.500 -0.611 0.000 0.724 258 K HN 0.289 nan 8.250 nan 0.000 0.446 259 Y N -0.394 119.926 120.300 0.034 0.000 2.498 259 Y HA 0.112 4.661 4.550 -0.000 0.000 0.259 259 Y C 1.948 177.944 175.900 0.160 0.000 1.086 259 Y CA -0.383 57.809 58.100 0.153 0.000 1.287 259 Y CB 0.444 38.993 38.460 0.150 0.000 1.146 259 Y HN 0.005 nan 8.280 nan 0.000 0.523 260 R N 0.316 120.951 120.500 0.224 0.000 2.316 260 R HA -0.033 4.306 4.340 -0.000 0.000 0.202 260 R C 0.115 176.508 176.300 0.155 0.000 1.029 260 R CA 1.126 57.347 56.100 0.202 0.000 1.018 260 R CB -0.250 30.145 30.300 0.157 0.000 0.888 260 R HN 0.203 nan 8.270 nan 0.000 0.471 261 N N 0.104 118.873 118.700 0.117 0.000 2.254 261 N HA -0.007 4.733 4.740 -0.000 0.000 0.190 261 N C 1.607 177.131 175.510 0.024 0.000 1.107 261 N CA 1.087 54.177 53.050 0.068 0.000 0.869 261 N CB 1.019 39.534 38.487 0.047 0.000 0.983 261 N HN 0.560 nan 8.380 nan 0.000 0.487 262 Q N -0.547 119.265 119.800 0.020 0.000 2.442 262 Q HA 0.256 4.596 4.340 -0.000 0.000 0.228 262 Q C 0.149 175.917 176.000 -0.386 0.000 0.902 262 Q CA 0.535 56.224 55.803 -0.191 0.000 0.933 262 Q CB -0.047 28.552 28.738 -0.231 0.000 1.071 262 Q HN 0.383 nan 8.270 nan 0.000 0.562 263 Y N -1.647 118.712 120.300 0.098 0.000 2.602 263 Y HA 0.526 5.075 4.550 -0.000 0.000 0.330 263 Y C 0.190 176.150 175.900 0.099 0.000 1.114 263 Y CA -1.669 56.471 58.100 0.066 0.000 1.182 263 Y CB 1.876 40.347 38.460 0.019 0.000 1.305 263 Y HN 0.253 nan 8.280 nan 0.000 0.502 264 C N 2.316 121.774 119.300 0.262 0.000 2.192 264 C HA 0.674 5.134 4.460 -0.000 0.000 0.337 264 C C -0.116 175.034 174.990 0.266 0.000 1.103 264 C CA 0.246 59.392 59.018 0.213 0.000 1.581 264 C CB -2.011 25.822 27.740 0.155 0.000 2.070 264 C HN 0.747 nan 8.230 nan 0.000 0.485 265 T N 5.402 120.155 114.554 0.332 0.000 2.977 265 T HA 0.642 4.992 4.350 -0.000 0.000 0.345 265 T C -1.137 173.858 174.700 0.491 0.000 1.562 265 T CA -0.339 61.996 62.100 0.391 0.000 1.090 265 T CB 0.927 70.020 68.868 0.376 0.000 1.383 265 T HN 1.082 nan 8.240 nan 0.000 0.484 266 F N 2.169 122.285 119.950 0.277 0.000 2.711 266 F HA 0.738 5.265 4.527 -0.000 0.000 0.313 266 F C -1.342 174.576 175.800 0.197 0.000 1.141 266 F CA -1.116 57.019 58.000 0.224 0.000 0.941 266 F CB 1.441 40.647 39.000 0.343 0.000 1.349 266 F HN 0.489 nan 8.300 nan 0.000 0.464 267 N N 1.686 120.443 118.700 0.096 0.000 2.479 267 N HA 0.143 4.883 4.740 -0.000 0.000 0.261 267 N C -0.328 175.215 175.510 0.056 0.000 0.979 267 N CA -0.149 52.865 53.050 -0.060 0.000 0.930 267 N CB 1.542 39.941 38.487 -0.147 0.000 1.172 267 N HN 0.981 nan 8.380 nan 0.000 0.499 268 D N 2.652 123.043 120.400 -0.015 0.000 2.178 268 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 268 D C 0.596 176.982 176.300 0.142 0.000 0.980 268 D CA 1.386 55.524 54.000 0.230 0.000 0.842 268 D CB 0.464 41.338 40.800 0.123 0.000 0.948 268 D HN 0.500 nan 8.370 nan 0.000 0.472 269 D N -0.028 120.405 120.400 0.055 0.000 2.144 269 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 269 D C 2.175 178.483 176.300 0.014 0.000 0.978 269 D CA 1.025 55.053 54.000 0.046 0.000 0.833 269 D CB -0.183 40.635 40.800 0.030 0.000 0.961 269 D HN 0.542 nan 8.370 nan 0.000 0.470 270 I N -1.854 118.679 120.570 -0.062 0.000 2.628 270 I HA 0.012 4.182 4.170 -0.000 0.000 0.255 270 I C 1.885 177.949 176.117 -0.087 0.000 1.119 270 I CA 0.547 61.787 61.300 -0.099 0.000 1.448 270 I CB -0.494 37.333 38.000 -0.289 0.000 1.133 270 I HN -0.151 nan 8.210 nan 0.000 0.438 271 Q N 1.839 121.555 119.800 -0.141 0.000 2.134 271 Q HA 0.113 4.453 4.340 -0.000 0.000 0.195 271 Q C 2.403 178.192 176.000 -0.352 0.000 0.958 271 Q CA 1.194 56.749 55.803 -0.414 0.000 0.840 271 Q CB -0.199 28.082 28.738 -0.763 0.000 0.918 271 Q HN 0.635 nan 8.270 nan 0.000 0.467 272 G N 0.858 109.664 108.800 0.010 0.000 2.514 272 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 272 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 272 G C 1.413 176.426 174.900 0.189 0.000 1.198 272 G CA 1.626 46.875 45.100 0.249 0.000 0.780 272 G HN 0.273 nan 8.290 nan 0.000 0.565 273 T N 1.719 116.363 114.554 0.149 0.000 2.699 273 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 273 T C 2.767 177.558 174.700 0.150 0.000 1.036 273 T CA 1.769 63.956 62.100 0.145 0.000 1.147 273 T CB -0.441 68.501 68.868 0.123 0.000 0.862 273 T HN 0.434 nan 8.240 nan 0.000 0.446 274 A N 0.922 123.806 122.820 0.107 0.000 1.877 274 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 274 A C 2.595 180.277 177.584 0.164 0.000 1.186 274 A CA 2.133 54.246 52.037 0.126 0.000 0.620 274 A CB -1.133 17.904 19.000 0.062 0.000 0.822 274 A HN 0.445 nan 8.150 nan 0.000 0.443 275 S N -0.505 115.300 115.700 0.176 0.000 2.356 275 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 275 S C 2.009 176.741 174.600 0.220 0.000 1.032 275 S CA 2.049 60.392 58.200 0.239 0.000 1.005 275 S CB -0.741 62.680 63.200 0.367 0.000 0.867 275 S HN 0.699 nan 8.310 nan 0.000 0.449 276 V N 0.949 120.995 119.914 0.221 0.000 2.358 276 V HA 0.027 4.146 4.120 -0.000 0.000 0.246 276 V C 2.654 178.929 176.094 0.301 0.000 1.047 276 V CA 1.540 63.985 62.300 0.241 0.000 1.035 276 V CB -1.769 30.140 31.823 0.143 0.000 0.658 276 V HN 0.506 nan 8.190 nan 0.000 0.452 277 A N 0.511 123.490 122.820 0.264 0.000 1.873 277 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 277 A C 2.399 180.193 177.584 0.349 0.000 1.186 277 A CA 2.058 54.288 52.037 0.321 0.000 0.616 277 A CB -0.852 18.351 19.000 0.337 0.000 0.823 277 A HN 0.376 nan 8.150 nan 0.000 0.442 278 V N 0.010 120.081 119.914 0.263 0.000 2.343 278 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 278 V C 3.063 179.254 176.094 0.160 0.000 1.051 278 V CA 1.915 64.337 62.300 0.204 0.000 1.036 278 V CB -1.274 30.648 31.823 0.166 0.000 0.654 278 V HN 0.617 nan 8.190 nan 0.000 0.451 279 A N 0.546 123.457 122.820 0.152 0.000 1.940 279 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 279 A C 2.418 179.971 177.584 -0.052 0.000 1.176 279 A CA 2.102 54.184 52.037 0.074 0.000 0.631 279 A CB -1.226 17.849 19.000 0.125 0.000 0.814 279 A HN 0.544 nan 8.150 nan 0.000 0.446 280 G N -0.986 107.790 108.800 -0.040 0.000 2.418 280 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.217 280 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.217 280 G C 1.627 176.635 174.900 0.180 0.000 1.158 280 G CA 1.222 46.192 45.100 -0.216 0.000 0.771 280 G HN 0.382 nan 8.290 nan 0.000 0.545 281 L N 0.298 121.703 121.223 0.305 0.000 2.017 281 L HA 0.117 4.457 4.340 -0.000 0.000 0.208 281 L C 3.131 180.045 176.870 0.073 0.000 1.073 281 L CA 1.399 56.340 54.840 0.169 0.000 0.745 281 L CB -1.043 41.075 42.059 0.099 0.000 0.894 281 L HN 0.437 nan 8.230 nan 0.000 0.432 282 L N -0.658 120.598 121.223 0.054 0.000 2.012 282 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 282 L C 2.899 179.770 176.870 0.001 0.000 1.073 282 L CA 1.629 56.483 54.840 0.023 0.000 0.748 282 L CB -1.055 41.016 42.059 0.020 0.000 0.891 282 L HN 0.418 nan 8.230 nan 0.000 0.431 283 A N 0.116 122.917 122.820 -0.032 0.000 1.917 283 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 283 A C 2.512 180.087 177.584 -0.015 0.000 1.182 283 A CA 1.985 53.987 52.037 -0.059 0.000 0.633 283 A CB -0.723 18.174 19.000 -0.171 0.000 0.819 283 A HN 0.445 nan 8.150 nan 0.000 0.448 284 A N -0.434 122.400 122.820 0.023 0.000 1.969 284 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 284 A C 2.075 179.675 177.584 0.027 0.000 1.169 284 A CA 1.321 53.388 52.037 0.049 0.000 0.635 284 A CB -0.542 18.510 19.000 0.087 0.000 0.810 284 A HN 0.492 nan 8.150 nan 0.000 0.445 285 L N -0.975 120.258 121.223 0.016 0.000 2.201 285 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 285 L C 2.702 179.578 176.870 0.011 0.000 1.105 285 L CA 0.892 55.738 54.840 0.011 0.000 0.775 285 L CB -0.491 41.574 42.059 0.009 0.000 0.913 285 L HN 0.371 nan 8.230 nan 0.000 0.440 286 R N 0.091 120.598 120.500 0.011 0.000 2.115 286 R HA -0.075 4.265 4.340 -0.000 0.000 0.230 286 R C 2.186 178.495 176.300 0.015 0.000 1.111 286 R CA 1.176 57.282 56.100 0.010 0.000 0.976 286 R CB -0.238 30.066 30.300 0.007 0.000 0.870 286 R HN 0.395 nan 8.270 nan 0.000 0.445 287 I N 0.441 121.024 120.570 0.022 0.000 2.277 287 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 287 I C 2.476 178.608 176.117 0.025 0.000 1.094 287 I CA 1.554 62.872 61.300 0.029 0.000 1.393 287 I CB -0.477 37.550 38.000 0.045 0.000 1.078 287 I HN 0.227 nan 8.210 nan 0.000 0.417 288 T N -2.188 112.380 114.554 0.022 0.000 2.962 288 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 288 T C 0.942 175.650 174.700 0.013 0.000 1.088 288 T CA 0.179 62.289 62.100 0.017 0.000 1.127 288 T CB -0.123 68.752 68.868 0.011 0.000 0.883 288 T HN 0.126 nan 8.240 nan 0.000 0.493 289 K N 2.211 122.618 120.400 0.012 0.000 3.257 289 K HA -0.147 4.173 4.320 -0.000 0.000 0.270 289 K C -0.425 176.179 176.600 0.008 0.000 0.984 289 K CA 1.036 57.328 56.287 0.009 0.000 0.739 289 K CB -2.153 30.352 32.500 0.009 0.000 1.351 289 K HN 0.924 nan 8.250 nan 0.000 0.463 290 N N -2.396 116.308 118.700 0.008 0.000 2.972 290 N HA 0.592 5.332 4.740 -0.000 0.000 0.262 290 N C -0.651 174.863 175.510 0.007 0.000 1.478 290 N CA -0.443 52.611 53.050 0.007 0.000 0.841 290 N CB 0.727 39.218 38.487 0.007 0.000 1.512 290 N HN 0.061 nan 8.380 nan 0.000 0.548 291 K N -0.169 120.236 120.400 0.008 0.000 2.098 291 K HA 0.481 4.801 4.320 -0.000 0.000 0.257 291 K C 1.011 177.618 176.600 0.011 0.000 0.999 291 K CA -0.423 55.870 56.287 0.010 0.000 0.924 291 K CB 0.002 32.509 32.500 0.011 0.000 1.028 291 K HN 0.581 nan 8.250 nan 0.000 0.466 292 L N 1.709 122.941 121.223 0.015 0.000 2.081 292 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 292 L C 2.536 179.419 176.870 0.022 0.000 1.080 292 L CA 3.158 58.010 54.840 0.019 0.000 0.754 292 L CB -0.681 41.394 42.059 0.026 0.000 0.893 292 L HN 0.875 nan 8.230 nan 0.000 0.433 293 S N -1.849 113.864 115.700 0.021 0.000 2.500 293 S HA -0.122 4.348 4.470 -0.000 0.000 0.239 293 S C 1.316 175.927 174.600 0.019 0.000 0.989 293 S CA 1.021 59.235 58.200 0.022 0.000 0.951 293 S CB -0.588 62.623 63.200 0.018 0.000 0.759 293 S HN 0.521 nan 8.310 nan 0.000 0.523 294 D N 1.162 121.571 120.400 0.015 0.000 2.340 294 D HA 0.097 4.737 4.640 -0.000 0.000 0.220 294 D C 0.353 176.659 176.300 0.011 0.000 1.039 294 D CA 0.337 54.344 54.000 0.012 0.000 0.866 294 D CB 0.070 40.876 40.800 0.008 0.000 0.913 294 D HN 0.442 nan 8.370 nan 0.000 0.523 295 Q N 0.356 120.163 119.800 0.013 0.000 2.221 295 Q HA 0.370 4.710 4.340 -0.000 0.000 0.242 295 Q C -0.032 175.984 176.000 0.027 0.000 0.940 295 Q CA 0.085 55.892 55.803 0.006 0.000 0.896 295 Q CB 1.427 30.161 28.738 -0.006 0.000 1.226 295 Q HN -0.151 nan 8.270 nan 0.000 0.463 296 T N 1.881 116.450 114.554 0.024 0.000 2.847 296 T HA 0.569 4.919 4.350 -0.000 0.000 0.291 296 T C -0.045 174.685 174.700 0.049 0.000 0.998 296 T CA -0.453 61.691 62.100 0.073 0.000 0.967 296 T CB 0.521 69.430 68.868 0.069 0.000 0.954 296 T HN 0.309 nan 8.240 nan 0.000 0.441 297 I N 4.045 124.673 120.570 0.096 0.000 2.354 297 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 297 I C -0.844 175.315 176.117 0.070 0.000 0.989 297 I CA -1.016 60.284 61.300 0.000 0.000 1.188 297 I CB 1.719 39.703 38.000 -0.027 0.000 1.342 297 I HN 0.334 nan 8.210 nan 0.000 0.457 298 L N 7.310 128.496 121.223 -0.062 0.000 2.333 298 L HA 0.556 4.896 4.340 -0.000 0.000 0.280 298 L C -1.342 175.470 176.870 -0.097 0.000 1.004 298 L CA -0.033 54.820 54.840 0.022 0.000 0.820 298 L CB 1.270 43.315 42.059 -0.022 0.000 1.247 298 L HN 0.231 nan 8.230 nan 0.000 0.416 299 F N 3.559 123.560 119.950 0.085 0.000 2.415 299 F HA 0.435 4.961 4.527 -0.000 0.000 0.348 299 F C 0.579 176.451 175.800 0.119 0.000 1.119 299 F CA -0.292 57.763 58.000 0.093 0.000 1.069 299 F CB 1.254 40.273 39.000 0.033 0.000 1.124 299 F HN 0.385 nan 8.300 nan 0.000 0.472 300 Q N 2.842 122.832 119.800 0.318 0.000 2.323 300 Q HA 0.484 4.824 4.340 -0.000 0.000 0.257 300 Q C 0.122 176.259 176.000 0.229 0.000 1.022 300 Q CA -0.014 55.945 55.803 0.260 0.000 0.919 300 Q CB 1.025 29.922 28.738 0.266 0.000 1.220 300 Q HN 0.970 nan 8.270 nan 0.000 0.427 301 G N 1.769 110.674 108.800 0.176 0.000 2.640 301 G HA2 0.116 4.075 3.960 -0.000 0.000 0.686 301 G HA3 0.116 4.075 3.960 -0.000 0.000 0.686 301 G C -0.614 174.339 174.900 0.088 0.000 1.229 301 G CA -0.366 44.810 45.100 0.127 0.000 0.796 301 G HN 0.609 nan 8.290 nan 0.000 0.654 302 A N 0.447 123.283 122.820 0.027 0.000 2.543 302 A HA 0.808 5.128 4.320 -0.000 0.000 0.279 302 A C 1.111 178.669 177.584 -0.043 0.000 0.917 302 A CA 1.070 53.081 52.037 -0.043 0.000 1.036 302 A CB -0.063 18.922 19.000 -0.025 0.000 1.227 302 A HN 2.221 nan 8.150 nan 0.000 0.503 303 G N -0.670 108.133 108.800 0.004 0.000 2.849 303 G HA2 0.386 4.346 3.960 -0.000 0.000 0.174 303 G HA3 0.386 4.346 3.960 -0.000 0.000 0.174 303 G C 0.642 175.626 174.900 0.139 0.000 1.370 303 G CA 0.291 45.422 45.100 0.052 0.000 1.040 303 G HN 0.259 nan 8.290 nan 0.000 0.582 304 E N -0.292 120.061 120.200 0.255 0.000 2.028 304 E HA -0.297 4.053 4.350 -0.000 0.000 0.217 304 E C 2.849 179.571 176.600 0.203 0.000 1.039 304 E CA 1.581 58.183 56.400 0.338 0.000 0.882 304 E CB -0.446 29.338 29.700 0.140 0.000 0.794 304 E HN 0.375 nan 8.360 nan 0.000 0.488 305 A N 1.337 124.225 122.820 0.114 0.000 1.859 305 A HA -0.251 4.068 4.320 -0.000 0.000 0.217 305 A C 2.436 180.057 177.584 0.060 0.000 1.198 305 A CA 2.648 54.744 52.037 0.099 0.000 0.629 305 A CB -1.115 17.957 19.000 0.120 0.000 0.830 305 A HN 0.398 nan 8.150 nan 0.000 0.446 306 A N -0.490 122.331 122.820 0.001 0.000 1.903 306 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 306 A C 2.227 179.507 177.584 -0.507 0.000 1.191 306 A CA 1.893 53.752 52.037 -0.296 0.000 0.638 306 A CB -0.762 18.090 19.000 -0.246 0.000 0.823 306 A HN 0.521 nan 8.150 nan 0.000 0.451 307 L N -0.956 120.142 121.223 -0.209 0.000 2.056 307 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 307 L C 2.875 179.762 176.870 0.029 0.000 1.078 307 L CA 0.939 55.705 54.840 -0.123 0.000 0.749 307 L CB -0.898 41.155 42.059 -0.009 0.000 0.901 307 L HN 0.489 nan 8.230 nan 0.000 0.433 308 G N 0.440 109.303 108.800 0.106 0.000 2.459 308 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 308 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 308 G C 1.658 176.638 174.900 0.133 0.000 1.183 308 G CA 1.359 46.542 45.100 0.138 0.000 0.776 308 G HN 0.169 nan 8.290 nan 0.000 0.552 309 I N 1.693 122.321 120.570 0.096 0.000 2.127 309 I HA -0.121 4.048 4.170 -0.000 0.000 0.241 309 I C 3.473 179.693 176.117 0.172 0.000 1.075 309 I CA 1.203 62.612 61.300 0.182 0.000 1.334 309 I CB -1.610 36.609 38.000 0.365 0.000 1.040 309 I HN 0.474 nan 8.210 nan 0.000 0.405 310 A N -0.208 122.601 122.820 -0.019 0.000 1.883 310 A HA -0.343 3.977 4.320 -0.000 0.000 0.217 310 A C 2.182 179.901 177.584 0.225 0.000 1.186 310 A CA 2.468 54.496 52.037 -0.014 0.000 0.624 310 A CB -1.255 17.406 19.000 -0.564 0.000 0.822 310 A HN 0.749 nan 8.150 nan 0.000 0.444 311 H N -0.821 118.342 119.070 0.155 0.000 2.387 311 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 311 H C 1.679 177.095 175.328 0.147 0.000 1.099 311 H CA 1.926 58.086 56.048 0.186 0.000 1.315 311 H CB -0.247 29.602 29.762 0.144 0.000 1.380 311 H HN 0.323 nan 8.280 nan 0.000 0.513 312 L N -0.369 120.873 121.223 0.032 0.000 2.209 312 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 312 L C 2.233 179.128 176.870 0.042 0.000 1.094 312 L CA 0.933 55.758 54.840 -0.024 0.000 0.790 312 L CB -0.373 41.724 42.059 0.064 0.000 0.932 312 L HN 0.343 nan 8.230 nan 0.000 0.447 313 I N -1.664 118.974 120.570 0.112 0.000 2.208 313 I HA -0.305 3.864 4.170 -0.000 0.000 0.245 313 I C 2.280 178.456 176.117 0.098 0.000 1.097 313 I CA 1.110 62.483 61.300 0.122 0.000 1.363 313 I CB -0.303 37.802 38.000 0.176 0.000 1.051 313 I HN 0.036 nan 8.210 nan 0.000 0.413 314 V N 0.447 120.429 119.914 0.113 0.000 2.332 314 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 314 V C 2.438 178.552 176.094 0.034 0.000 1.055 314 V CA 1.904 64.263 62.300 0.099 0.000 1.038 314 V CB -0.476 31.435 31.823 0.147 0.000 0.651 314 V HN 0.399 nan 8.190 nan 0.000 0.450 315 M N -0.428 119.157 119.600 -0.024 0.000 2.117 315 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 315 M C 2.401 178.702 176.300 0.001 0.000 1.065 315 M CA 2.033 57.310 55.300 -0.038 0.000 1.114 315 M CB -0.571 31.973 32.600 -0.094 0.000 1.361 315 M HN 0.416 nan 8.290 nan 0.000 0.408 316 A N 0.525 123.355 122.820 0.018 0.000 1.940 316 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 316 A C 2.075 179.678 177.584 0.030 0.000 1.176 316 A CA 1.432 53.487 52.037 0.030 0.000 0.631 316 A CB -0.901 18.126 19.000 0.045 0.000 0.814 316 A HN 0.453 nan 8.150 nan 0.000 0.446 317 L N -0.822 120.423 121.223 0.037 0.000 2.056 317 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 317 L C 2.592 179.477 176.870 0.026 0.000 1.078 317 L CA 1.629 56.490 54.840 0.036 0.000 0.749 317 L CB -0.577 41.511 42.059 0.048 0.000 0.901 317 L HN 0.457 nan 8.230 nan 0.000 0.433 318 E N 0.099 120.313 120.200 0.023 0.000 2.058 318 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 318 E C 2.153 178.762 176.600 0.015 0.000 0.997 318 E CA 1.266 57.676 56.400 0.017 0.000 0.801 318 E CB -0.084 29.625 29.700 0.014 0.000 0.746 318 E HN 0.310 nan 8.360 nan 0.000 0.450 319 K N 1.005 121.414 120.400 0.015 0.000 2.103 319 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 319 K C 2.047 178.655 176.600 0.014 0.000 1.048 319 K CA 1.766 58.062 56.287 0.014 0.000 0.930 319 K CB 0.006 32.515 32.500 0.015 0.000 0.716 319 K HN 0.184 nan 8.250 nan 0.000 0.444 320 E N -1.738 118.472 120.200 0.016 0.000 2.427 320 E HA -0.028 4.322 4.350 -0.000 0.000 0.196 320 E C 1.030 177.638 176.600 0.013 0.000 1.028 320 E CA 0.960 57.369 56.400 0.014 0.000 0.864 320 E CB 0.382 30.092 29.700 0.016 0.000 0.813 320 E HN 0.385 nan 8.360 nan 0.000 0.514 321 G N 0.454 109.262 108.800 0.013 0.000 2.485 321 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.181 321 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.181 321 G C 0.064 174.970 174.900 0.010 0.000 0.999 321 G CA -0.189 44.918 45.100 0.011 0.000 0.721 321 G HN 0.130 nan 8.290 nan 0.000 0.486 322 L N 2.930 124.161 121.223 0.013 0.000 2.439 322 L HA 0.383 4.723 4.340 -0.000 0.000 0.269 322 L C -1.225 175.651 176.870 0.011 0.000 1.179 322 L CA -1.575 53.272 54.840 0.012 0.000 0.828 322 L CB 0.710 42.779 42.059 0.016 0.000 1.106 322 L HN 0.070 nan 8.230 nan 0.000 0.467 323 P HA 0.181 nan 4.420 nan 0.000 0.276 323 P C 0.055 177.358 177.300 0.005 0.000 1.261 323 P CA -0.402 62.701 63.100 0.005 0.000 0.800 323 P CB 0.741 32.441 31.700 0.001 0.000 1.066 324 K N 0.616 121.018 120.400 0.003 0.000 2.057 324 K HA -0.167 4.152 4.320 -0.000 0.000 0.207 324 K C 2.311 178.905 176.600 -0.009 0.000 1.049 324 K CA 2.623 58.911 56.287 0.001 0.000 0.931 324 K CB -2.001 30.496 32.500 -0.004 0.000 0.714 324 K HN 0.653 nan 8.250 nan 0.000 0.440 325 E N 0.541 120.731 120.200 -0.017 0.000 2.058 325 E HA -0.192 4.157 4.350 -0.000 0.000 0.194 325 E C 2.479 179.067 176.600 -0.021 0.000 0.997 325 E CA 2.755 59.141 56.400 -0.024 0.000 0.801 325 E CB -1.307 28.380 29.700 -0.022 0.000 0.746 325 E HN 0.802 nan 8.360 nan 0.000 0.450 326 K N 0.170 120.562 120.400 -0.013 0.000 2.097 326 K HA 0.445 4.765 4.320 -0.000 0.000 0.205 326 K C 2.667 179.265 176.600 -0.004 0.000 1.050 326 K CA 1.627 57.906 56.287 -0.013 0.000 0.938 326 K CB -0.893 31.604 32.500 -0.005 0.000 0.718 326 K HN 0.784 nan 8.250 nan 0.000 0.442 327 A N 1.184 124.011 122.820 0.013 0.000 1.873 327 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 327 A C 2.292 179.918 177.584 0.071 0.000 1.186 327 A CA 1.488 53.550 52.037 0.040 0.000 0.616 327 A CB -0.236 18.792 19.000 0.047 0.000 0.823 327 A HN 0.424 nan 8.150 nan 0.000 0.442 328 I N 0.292 120.901 120.570 0.065 0.000 2.335 328 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 328 I C 2.946 179.151 176.117 0.146 0.000 1.129 328 I CA 1.892 63.270 61.300 0.130 0.000 1.402 328 I CB -1.341 36.640 38.000 -0.032 0.000 1.069 328 I HN 0.508 nan 8.210 nan 0.000 0.424 329 K N 1.044 121.415 120.400 -0.047 0.000 2.360 329 K HA -0.140 4.180 4.320 -0.000 0.000 0.201 329 K C 2.083 178.508 176.600 -0.292 0.000 1.046 329 K CA 1.043 57.102 56.287 -0.380 0.000 0.945 329 K CB -0.885 31.449 32.500 -0.277 0.000 0.750 329 K HN 0.293 nan 8.250 nan 0.000 0.464 330 K N -0.598 119.775 120.400 -0.045 0.000 2.486 330 K HA 0.273 4.593 4.320 -0.000 0.000 0.194 330 K C 0.270 176.952 176.600 0.136 0.000 1.033 330 K CA 0.385 56.703 56.287 0.052 0.000 1.004 330 K CB -0.460 32.082 32.500 0.070 0.000 0.798 330 K HN 0.626 nan 8.250 nan 0.000 0.495 331 I N -0.162 120.487 120.570 0.132 0.000 2.465 331 I HA 0.460 4.630 4.170 -0.000 0.000 0.291 331 I C -0.986 175.227 176.117 0.159 0.000 1.014 331 I CA -0.966 60.468 61.300 0.224 0.000 1.093 331 I CB 1.747 39.876 38.000 0.215 0.000 1.267 331 I HN 0.115 nan 8.210 nan 0.000 0.431 332 W N 6.359 127.784 121.300 0.209 0.000 2.781 332 W HA 0.764 5.424 4.660 -0.000 0.000 0.345 332 W C -0.948 175.649 176.519 0.130 0.000 1.085 332 W CA -0.489 56.961 57.345 0.175 0.000 1.198 332 W CB 1.088 30.623 29.460 0.124 0.000 1.423 332 W HN 0.078 nan 8.180 nan 0.000 0.532 333 L N 1.983 123.380 121.223 0.290 0.000 2.323 333 L HA 0.876 5.216 4.340 -0.000 0.000 0.265 333 L C -0.696 176.283 176.870 0.181 0.000 1.012 333 L CA -1.559 53.390 54.840 0.182 0.000 0.820 333 L CB 1.626 43.673 42.059 -0.020 0.000 1.334 333 L HN 0.021 nan 8.230 nan 0.000 0.427 334 V N 0.247 120.254 119.914 0.155 0.000 2.569 334 V HA 0.321 4.441 4.120 -0.000 0.000 0.301 334 V C -0.974 175.174 176.094 0.091 0.000 1.044 334 V CA -0.704 61.667 62.300 0.118 0.000 0.874 334 V CB 1.796 33.691 31.823 0.120 0.000 1.002 334 V HN 0.896 nan 8.190 nan 0.000 0.424 335 D N 2.638 123.077 120.400 0.064 0.000 2.569 335 D HA 0.334 4.974 4.640 -0.000 0.000 0.266 335 D C 1.515 177.842 176.300 0.045 0.000 1.164 335 D CA 0.096 54.125 54.000 0.047 0.000 1.071 335 D CB 0.983 41.800 40.800 0.028 0.000 1.183 335 D HN 0.397 nan 8.370 nan 0.000 0.613 336 S N -0.443 115.278 115.700 0.034 0.000 2.370 336 S HA -0.230 4.239 4.470 -0.000 0.000 0.226 336 S C 1.309 175.926 174.600 0.029 0.000 1.033 336 S CA 0.980 59.198 58.200 0.031 0.000 1.011 336 S CB -0.595 62.618 63.200 0.023 0.000 0.852 336 S HN 0.485 nan 8.310 nan 0.000 0.457 337 K N 1.458 121.873 120.400 0.026 0.000 2.525 337 K HA 0.337 4.657 4.320 -0.000 0.000 0.192 337 K C 1.054 177.673 176.600 0.032 0.000 1.029 337 K CA 0.342 56.645 56.287 0.025 0.000 1.029 337 K CB -0.144 32.368 32.500 0.020 0.000 0.814 337 K HN 0.625 nan 8.250 nan 0.000 0.503 338 G N 1.063 109.886 108.800 0.038 0.000 2.343 338 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.562 338 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.562 338 G C -1.540 173.393 174.900 0.055 0.000 1.269 338 G CA -1.041 44.086 45.100 0.044 0.000 1.011 338 G HN 0.042 nan 8.290 nan 0.000 0.498 339 L N 0.656 121.913 121.223 0.057 0.000 2.514 339 L HA 0.553 4.893 4.340 -0.000 0.000 0.280 339 L C 0.884 177.815 176.870 0.103 0.000 1.223 339 L CA 0.116 55.005 54.840 0.081 0.000 0.864 339 L CB 0.431 42.518 42.059 0.047 0.000 1.118 339 L HN 1.050 nan 8.230 nan 0.000 0.494 340 I N 4.070 124.719 120.570 0.132 0.000 2.325 340 I HA 0.734 4.904 4.170 -0.000 0.000 0.291 340 I C -0.173 176.025 176.117 0.135 0.000 1.019 340 I CA 0.066 61.426 61.300 0.100 0.000 1.302 340 I CB 0.731 38.765 38.000 0.057 0.000 1.401 340 I HN 0.542 nan 8.210 nan 0.000 0.485 341 V N 4.382 124.364 119.914 0.113 0.000 3.181 341 V HA 0.488 4.608 4.120 -0.000 0.000 0.308 341 V C 0.895 177.034 176.094 0.076 0.000 1.214 341 V CA -0.468 61.919 62.300 0.146 0.000 1.053 341 V CB 1.724 33.687 31.823 0.233 0.000 1.069 341 V HN 0.727 nan 8.190 nan 0.000 0.441 342 K N 1.283 121.730 120.400 0.079 0.000 2.117 342 K HA -0.141 4.179 4.320 -0.000 0.000 0.215 342 K C 1.165 177.781 176.600 0.026 0.000 1.053 342 K CA 2.343 58.653 56.287 0.039 0.000 0.935 342 K CB -0.982 31.549 32.500 0.052 0.000 0.719 342 K HN 2.278 nan 8.250 nan 0.000 0.460 350 E N 1.123 121.233 120.200 -0.151 0.000 2.152 350 E HA -0.003 4.347 4.350 -0.000 0.000 0.192 350 E C 1.865 178.427 176.600 -0.064 0.000 0.983 350 E CA 1.304 57.616 56.400 -0.148 0.000 0.818 350 E CB -0.209 29.345 29.700 -0.243 0.000 0.758 350 E HN 0.447 nan 8.360 nan 0.000 0.467 351 K N 0.216 120.578 120.400 -0.064 0.000 2.057 351 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 351 K C 2.715 179.312 176.600 -0.006 0.000 1.049 351 K CA 1.573 57.860 56.287 0.001 0.000 0.931 351 K CB -0.301 32.179 32.500 -0.033 0.000 0.714 351 K HN 0.440 nan 8.250 nan 0.000 0.440 352 E N 1.465 121.626 120.200 -0.065 0.000 2.219 352 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 352 E C 1.976 178.481 176.600 -0.157 0.000 0.998 352 E CA 2.071 58.415 56.400 -0.093 0.000 0.818 352 E CB -1.043 28.605 29.700 -0.087 0.000 0.741 352 E HN 0.536 nan 8.360 nan 0.000 0.477 353 K N -0.530 119.739 120.400 -0.219 0.000 2.283 353 K HA 0.206 4.526 4.320 -0.000 0.000 0.202 353 K C 1.560 177.761 176.600 -0.665 0.000 1.048 353 K CA 1.177 57.210 56.287 -0.422 0.000 0.948 353 K CB -0.547 31.644 32.500 -0.515 0.000 0.742 353 K HN 0.580 nan 8.250 nan 0.000 0.458 354 F N -0.104 119.689 119.950 -0.262 0.000 2.639 354 F HA 0.409 4.936 4.527 -0.000 0.000 0.302 354 F C 1.216 176.518 175.800 -0.830 0.000 1.097 354 F CA -0.655 57.047 58.000 -0.495 0.000 1.294 354 F CB 0.660 39.469 39.000 -0.317 0.000 1.027 354 F HN 0.088 nan 8.300 nan 0.000 0.550 355 A N 1.075 123.668 122.820 -0.379 0.000 2.906 355 A HA 0.190 4.510 4.320 -0.000 0.000 0.289 355 A C -0.042 177.384 177.584 -0.263 0.000 1.675 355 A CA -0.239 51.639 52.037 -0.265 0.000 1.372 355 A CB -1.082 17.852 19.000 -0.110 0.000 1.091 355 A HN 0.225 nan 8.150 nan 0.000 0.579 356 H N 0.764 119.763 119.070 -0.119 0.000 2.607 356 H HA 0.420 4.976 4.556 -0.000 0.000 0.367 356 H C 0.946 176.320 175.328 0.076 0.000 1.181 356 H CA 0.413 56.382 56.048 -0.132 0.000 1.402 356 H CB 0.489 29.962 29.762 -0.480 0.000 1.474 356 H HN 0.691 nan 8.280 nan 0.000 0.596 357 E N 2.286 122.621 120.200 0.225 0.000 2.220 357 E HA 0.132 4.482 4.350 -0.000 0.000 0.272 357 E C -0.391 176.406 176.600 0.328 0.000 1.099 357 E CA -0.004 56.518 56.400 0.204 0.000 0.907 357 E CB 0.035 29.806 29.700 0.118 0.000 1.022 357 E HN 0.684 nan 8.360 nan 0.000 0.428 358 H N 0.449 119.647 119.070 0.214 0.000 3.094 358 H HA 0.490 5.046 4.556 -0.000 0.000 0.335 358 H C -0.360 175.049 175.328 0.134 0.000 1.254 358 H CA 0.310 56.487 56.048 0.215 0.000 1.240 358 H CB 1.083 31.070 29.762 0.374 0.000 1.936 358 H HN 0.800 nan 8.280 nan 0.000 0.536 359 E N 1.053 121.360 120.200 0.179 0.000 2.452 359 E HA 0.408 4.758 4.350 -0.000 0.000 0.261 359 E C 0.350 177.120 176.600 0.283 0.000 0.987 359 E CA 0.335 56.849 56.400 0.191 0.000 0.926 359 E CB -0.206 29.548 29.700 0.090 0.000 0.934 359 E HN 0.753 nan 8.360 nan 0.000 0.452 360 E N 1.535 121.830 120.200 0.159 0.000 2.392 360 E HA 0.561 4.911 4.350 -0.000 0.000 0.264 360 E C 0.394 177.049 176.600 0.090 0.000 1.024 360 E CA 0.632 57.103 56.400 0.120 0.000 0.903 360 E CB 0.006 29.755 29.700 0.083 0.000 0.963 360 E HN 0.725 nan 8.360 nan 0.000 0.432 361 M N 0.321 119.958 119.600 0.061 0.000 2.569 361 M HA 0.618 5.097 4.480 -0.000 0.000 0.279 361 M C -0.302 176.015 176.300 0.028 0.000 1.253 361 M CA -1.023 54.298 55.300 0.035 0.000 0.867 361 M CB 2.403 35.011 32.600 0.014 0.000 1.727 361 M HN 0.287 nan 8.290 nan 0.000 0.467 362 K N 0.096 120.511 120.400 0.025 0.000 2.362 362 K HA 0.214 4.534 4.320 -0.000 0.000 0.203 362 K C 0.227 176.842 176.600 0.026 0.000 1.198 362 K CA 0.177 56.480 56.287 0.027 0.000 0.908 362 K CB 0.107 32.623 32.500 0.027 0.000 1.236 362 K HN 0.648 nan 8.250 nan 0.000 0.487 363 N N 1.807 120.520 118.700 0.022 0.000 2.440 363 N HA -0.062 4.678 4.740 -0.000 0.000 0.265 363 N C 0.785 176.308 175.510 0.022 0.000 1.239 363 N CA -0.023 53.041 53.050 0.023 0.000 0.909 363 N CB 0.543 39.041 38.487 0.019 0.000 1.066 363 N HN -0.008 nan 8.380 nan 0.000 0.474 364 L N 4.587 125.832 121.223 0.037 0.000 2.042 364 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 364 L C 2.381 179.267 176.870 0.027 0.000 1.076 364 L CA 2.620 57.487 54.840 0.045 0.000 0.749 364 L CB -1.261 40.850 42.059 0.086 0.000 0.893 364 L HN 0.808 nan 8.230 nan 0.000 0.432 365 E N -0.595 119.622 120.200 0.029 0.000 2.085 365 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 365 E C 2.205 178.814 176.600 0.016 0.000 0.994 365 E CA 1.780 58.192 56.400 0.020 0.000 0.801 365 E CB -1.221 28.491 29.700 0.019 0.000 0.743 365 E HN 0.718 nan 8.360 nan 0.000 0.453 366 A N 0.215 123.040 122.820 0.009 0.000 1.929 366 A HA 0.116 4.436 4.320 -0.000 0.000 0.216 366 A C 2.490 180.057 177.584 -0.028 0.000 1.176 366 A CA 1.268 53.306 52.037 0.001 0.000 0.628 366 A CB -0.279 18.723 19.000 0.003 0.000 0.816 366 A HN 0.499 nan 8.150 nan 0.000 0.444 367 I N 0.473 121.017 120.570 -0.043 0.000 2.208 367 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 367 I C 2.500 178.535 176.117 -0.136 0.000 1.097 367 I CA 1.768 63.005 61.300 -0.105 0.000 1.363 367 I CB -0.292 37.661 38.000 -0.079 0.000 1.051 367 I HN 0.354 nan 8.210 nan 0.000 0.413 368 V N -1.761 118.112 119.914 -0.069 0.000 2.809 368 V HA -0.215 3.905 4.120 -0.000 0.000 0.256 368 V C 2.070 178.163 176.094 -0.002 0.000 1.080 368 V CA 1.247 63.518 62.300 -0.048 0.000 1.102 368 V CB -0.838 30.983 31.823 -0.003 0.000 0.705 368 V HN 0.450 nan 8.190 nan 0.000 0.475 369 Q N 0.458 120.274 119.800 0.027 0.000 2.049 369 Q HA -0.146 4.194 4.340 -0.000 0.000 0.198 369 Q C 2.489 178.399 176.000 -0.150 0.000 0.971 369 Q CA 1.983 57.824 55.803 0.064 0.000 0.833 369 Q CB -0.237 28.558 28.738 0.096 0.000 0.896 369 Q HN 0.724 nan 8.270 nan 0.000 0.434 370 E N 0.488 120.601 120.200 -0.145 0.000 2.072 370 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 370 E C 1.807 178.239 176.600 -0.280 0.000 0.982 370 E CA 0.775 57.077 56.400 -0.164 0.000 0.803 370 E CB -0.176 29.475 29.700 -0.082 0.000 0.755 370 E HN 0.414 nan 8.360 nan 0.000 0.453 371 I N 0.098 120.438 120.570 -0.385 0.000 2.480 371 I HA 0.083 4.253 4.170 -0.000 0.000 0.251 371 I C 1.713 177.575 176.117 -0.425 0.000 1.124 371 I CA 0.874 61.875 61.300 -0.499 0.000 1.444 371 I CB -0.323 37.273 38.000 -0.673 0.000 1.098 371 I HN 0.325 nan 8.210 nan 0.000 0.428 372 K N 0.978 121.083 120.400 -0.493 0.000 3.653 372 K HA -0.158 4.162 4.320 -0.000 0.000 0.275 372 K C -2.536 173.871 176.600 -0.322 0.000 0.962 372 K CA 0.848 56.697 56.287 -0.730 0.000 0.773 372 K CB -3.172 28.676 32.500 -1.087 0.000 1.463 372 K HN 0.390 nan 8.250 nan 0.000 0.450 373 P HA 0.322 nan 4.420 nan 0.000 0.279 373 P C 1.156 178.430 177.300 -0.044 0.000 1.252 373 P CA 0.486 63.529 63.100 -0.094 0.000 0.811 373 P CB 1.427 33.068 31.700 -0.099 0.000 1.035 374 T N -1.835 112.691 114.554 -0.047 0.000 3.014 374 T HA 0.295 4.645 4.350 -0.000 0.000 0.263 374 T C 0.767 175.412 174.700 -0.091 0.000 1.078 374 T CA 0.402 62.477 62.100 -0.042 0.000 1.135 374 T CB -0.202 68.646 68.868 -0.033 0.000 0.895 374 T HN 0.591 nan 8.240 nan 0.000 0.480 375 A N 0.697 123.434 122.820 -0.140 0.000 2.393 375 A HA 0.760 5.080 4.320 -0.000 0.000 0.306 375 A C -1.567 175.860 177.584 -0.263 0.000 1.050 375 A CA -0.845 51.048 52.037 -0.240 0.000 0.724 375 A CB 1.661 20.473 19.000 -0.314 0.000 1.248 375 A HN 0.346 nan 8.150 nan 0.000 0.424 376 L N 2.984 124.034 121.223 -0.289 0.000 2.372 376 L HA 0.718 5.058 4.340 -0.000 0.000 0.274 376 L C -1.315 175.497 176.870 -0.096 0.000 0.988 376 L CA -0.212 54.471 54.840 -0.261 0.000 0.833 376 L CB 1.070 42.868 42.059 -0.435 0.000 1.236 376 L HN 0.585 nan 8.230 nan 0.000 0.410 377 I N 4.688 125.212 120.570 -0.077 0.000 2.411 377 I HA 0.470 4.640 4.170 -0.000 0.000 0.284 377 I C 0.478 176.741 176.117 0.243 0.000 1.012 377 I CA -0.542 60.782 61.300 0.041 0.000 1.119 377 I CB 1.888 39.688 38.000 -0.334 0.000 1.261 377 I HN 0.742 nan 8.210 nan 0.000 0.448 378 G N 4.965 113.948 108.800 0.306 0.000 2.356 378 G HA2 0.466 4.426 3.960 -0.000 0.000 0.312 378 G HA3 0.466 4.426 3.960 -0.000 0.000 0.312 378 G C 0.502 175.464 174.900 0.103 0.000 1.096 378 G CA -0.298 44.850 45.100 0.080 0.000 0.950 378 G HN 0.590 nan 8.290 nan 0.000 0.428 379 V N -0.222 119.789 119.914 0.160 0.000 3.330 379 V HA 0.633 4.753 4.120 -0.000 0.000 0.309 379 V C 0.973 177.128 176.094 0.102 0.000 1.481 379 V CA 0.136 62.524 62.300 0.147 0.000 1.068 379 V CB -0.219 31.735 31.823 0.218 0.000 0.935 379 V HN 0.822 nan 8.190 nan 0.000 0.453 380 A N 1.069 123.938 122.820 0.082 0.000 2.362 380 A HA 0.787 5.107 4.320 -0.000 0.000 0.276 380 A C 0.999 178.595 177.584 0.021 0.000 1.153 380 A CA 0.312 52.381 52.037 0.053 0.000 0.813 380 A CB 0.769 19.803 19.000 0.056 0.000 1.081 380 A HN 1.332 nan 8.150 nan 0.000 0.507 381 A N 3.138 125.970 122.820 0.020 0.000 2.810 381 A HA 0.352 4.672 4.320 -0.000 0.000 0.247 381 A C 0.397 177.980 177.584 -0.002 0.000 1.576 381 A CA 0.089 52.130 52.037 0.007 0.000 1.294 381 A CB -0.934 18.072 19.000 0.010 0.000 0.976 381 A HN 0.989 nan 8.150 nan 0.000 0.631 382 I N 0.362 120.926 120.570 -0.010 0.000 2.330 382 I HA 0.554 4.724 4.170 -0.000 0.000 0.286 382 I C 0.574 176.674 176.117 -0.027 0.000 1.025 382 I CA -0.574 60.721 61.300 -0.010 0.000 1.197 382 I CB 0.747 38.749 38.000 0.003 0.000 1.358 382 I HN 0.246 nan 8.210 nan 0.000 0.467 383 G N 4.143 112.936 108.800 -0.013 0.000 2.442 383 G HA2 0.429 4.389 3.960 -0.000 0.000 0.249 383 G HA3 0.429 4.389 3.960 -0.000 0.000 0.249 383 G C 0.876 175.774 174.900 -0.003 0.000 1.263 383 G CA 0.303 45.399 45.100 -0.008 0.000 0.846 383 G HN 1.370 nan 8.290 nan 0.000 0.555 384 G N 0.719 109.518 108.800 -0.003 0.000 2.199 384 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.254 384 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.254 384 G C 1.550 176.468 174.900 0.030 0.000 0.982 384 G CA 1.162 46.272 45.100 0.016 0.000 0.632 384 G HN 1.760 nan 8.290 nan 0.000 0.529 385 A N -0.133 122.683 122.820 -0.007 0.000 1.958 385 A HA 0.204 4.524 4.320 -0.000 0.000 0.221 385 A C 1.044 178.772 177.584 0.240 0.000 1.178 385 A CA 1.629 53.700 52.037 0.057 0.000 0.642 385 A CB -0.405 18.591 19.000 -0.006 0.000 0.816 385 A HN 0.737 nan 8.150 nan 0.000 0.453 386 F N 1.630 121.601 119.950 0.035 0.000 2.515 386 F HA 0.304 4.831 4.527 -0.000 0.000 0.353 386 F C 1.218 177.014 175.800 -0.007 0.000 1.213 386 F CA -0.987 57.023 58.000 0.018 0.000 1.194 386 F CB -0.824 38.193 39.000 0.029 0.000 1.488 386 F HN 0.200 nan 8.300 nan 0.000 0.619 387 S N 0.253 116.055 115.700 0.170 0.000 2.624 387 S HA 0.408 4.878 4.470 -0.000 0.000 0.263 387 S C 1.441 176.059 174.600 0.030 0.000 1.287 387 S CA -0.013 58.233 58.200 0.076 0.000 0.990 387 S CB 1.018 64.250 63.200 0.054 0.000 0.950 387 S HN 0.592 nan 8.310 nan 0.000 0.561 388 E N 0.482 120.683 120.200 0.003 0.000 2.086 388 E HA -0.275 4.075 4.350 -0.000 0.000 0.200 388 E C 2.008 178.585 176.600 -0.038 0.000 1.012 388 E CA 2.196 58.581 56.400 -0.024 0.000 0.812 388 E CB -1.461 28.224 29.700 -0.025 0.000 0.743 388 E HN 0.827 nan 8.360 nan 0.000 0.453 389 Q N -0.107 119.677 119.800 -0.026 0.000 2.084 389 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 389 Q C 2.119 178.084 176.000 -0.058 0.000 0.978 389 Q CA 1.856 57.636 55.803 -0.039 0.000 0.844 389 Q CB -0.338 28.388 28.738 -0.020 0.000 0.898 389 Q HN 0.712 nan 8.270 nan 0.000 0.426 390 I N -0.398 120.147 120.570 -0.041 0.000 2.202 390 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 390 I C 1.995 178.034 176.117 -0.130 0.000 1.091 390 I CA 0.874 62.130 61.300 -0.074 0.000 1.368 390 I CB -0.253 37.714 38.000 -0.054 0.000 1.058 390 I HN 0.221 nan 8.210 nan 0.000 0.410 391 L N 0.207 121.365 121.223 -0.108 0.000 2.083 391 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 391 L C 2.829 179.615 176.870 -0.140 0.000 1.083 391 L CA 1.167 55.932 54.840 -0.125 0.000 0.752 391 L CB -0.767 41.236 42.059 -0.093 0.000 0.899 391 L HN 0.030 nan 8.230 nan 0.000 0.433 392 K N -0.467 119.855 120.400 -0.129 0.000 2.032 392 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 392 K C 1.748 178.202 176.600 -0.243 0.000 1.048 392 K CA 1.725 57.922 56.287 -0.151 0.000 0.927 392 K CB -0.572 31.855 32.500 -0.121 0.000 0.712 392 K HN 0.426 nan 8.250 nan 0.000 0.441 393 D N -0.413 119.819 120.400 -0.280 0.000 2.097 393 D HA -0.033 4.607 4.640 -0.000 0.000 0.197 393 D C 1.964 177.851 176.300 -0.689 0.000 0.984 393 D CA 1.113 54.796 54.000 -0.529 0.000 0.826 393 D CB -0.165 40.458 40.800 -0.295 0.000 0.973 393 D HN 0.127 nan 8.370 nan 0.000 0.460 394 M N 0.576 119.993 119.600 -0.306 0.000 2.108 394 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 394 M C 2.223 178.415 176.300 -0.180 0.000 1.066 394 M CA 0.932 56.132 55.300 -0.166 0.000 1.107 394 M CB -1.103 31.411 32.600 -0.144 0.000 1.356 394 M HN -0.036 nan 8.290 nan 0.000 0.406 395 A N -0.418 122.284 122.820 -0.195 0.000 2.121 395 A HA 0.147 4.467 4.320 -0.000 0.000 0.218 395 A C 2.345 179.820 177.584 -0.181 0.000 1.154 395 A CA 1.589 53.539 52.037 -0.145 0.000 0.679 395 A CB -0.592 18.339 19.000 -0.115 0.000 0.795 395 A HN 0.485 nan 8.150 nan 0.000 0.458 396 A N -0.856 121.761 122.820 -0.338 0.000 1.903 396 A HA 0.230 4.549 4.320 -0.000 0.000 0.213 396 A C 1.702 179.145 177.584 -0.235 0.000 1.185 396 A CA 1.079 52.909 52.037 -0.344 0.000 0.628 396 A CB -0.546 18.152 19.000 -0.505 0.000 0.830 396 A HN 0.420 nan 8.150 nan 0.000 0.446 397 F N 0.835 120.757 119.950 -0.046 0.000 2.407 397 F HA 0.110 4.637 4.527 -0.000 0.000 0.299 397 F C 0.613 176.390 175.800 -0.039 0.000 1.097 397 F CA 0.025 57.998 58.000 -0.045 0.000 1.422 397 F CB -0.393 38.572 39.000 -0.058 0.000 1.067 397 F HN 0.103 nan 8.300 nan 0.000 0.539 398 N N 0.211 118.966 118.700 0.092 0.000 2.258 398 N HA 0.077 4.817 4.740 -0.000 0.000 0.299 398 N C 0.832 176.350 175.510 0.013 0.000 1.047 398 N CA -0.221 52.860 53.050 0.051 0.000 0.814 398 N CB 2.218 40.729 38.487 0.041 0.000 1.413 398 N HN -0.103 nan 8.380 nan 0.000 0.478 399 E N 1.950 122.160 120.200 0.016 0.000 2.077 399 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 399 E C -0.279 176.327 176.600 0.010 0.000 0.989 399 E CA 1.621 58.026 56.400 0.008 0.000 0.800 399 E CB 0.372 30.079 29.700 0.011 0.000 0.746 399 E HN 0.407 nan 8.360 nan 0.000 0.452 400 R N 0.994 121.504 120.500 0.016 0.000 2.607 400 R HA 0.289 4.629 4.340 -0.000 0.000 0.278 400 R C -2.514 173.799 176.300 0.023 0.000 1.637 400 R CA -1.731 54.385 56.100 0.027 0.000 1.325 400 R CB 1.568 31.889 30.300 0.035 0.000 1.211 400 R HN 0.156 nan 8.270 nan 0.000 0.565 401 P HA 0.154 nan 4.420 nan 0.000 0.276 401 P C -0.008 177.295 177.300 0.004 0.000 1.230 401 P CA -0.085 63.010 63.100 -0.009 0.000 0.776 401 P CB 1.072 32.753 31.700 -0.032 0.000 0.888 402 I N 4.360 124.902 120.570 -0.048 0.000 2.371 402 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 402 I C 0.547 176.596 176.117 -0.114 0.000 1.028 402 I CA -0.166 61.083 61.300 -0.085 0.000 1.345 402 I CB 0.256 38.112 38.000 -0.241 0.000 1.407 402 I HN 0.153 nan 8.210 nan 0.000 0.501 403 I N 6.946 127.571 120.570 0.091 0.000 2.497 403 I HA 0.288 4.458 4.170 -0.000 0.000 0.284 403 I C -1.180 175.281 176.117 0.573 0.000 1.060 403 I CA -0.408 61.029 61.300 0.228 0.000 1.071 403 I CB 1.401 39.545 38.000 0.239 0.000 1.216 403 I HN 0.277 nan 8.210 nan 0.000 0.442 404 F N 4.611 124.679 119.950 0.196 0.000 2.402 404 F HA 0.555 5.082 4.527 -0.000 0.000 0.355 404 F C 0.580 176.479 175.800 0.164 0.000 1.123 404 F CA -1.663 56.380 58.000 0.073 0.000 1.021 404 F CB 1.852 40.878 39.000 0.044 0.000 1.160 404 F HN 0.419 nan 8.300 nan 0.000 0.451 405 A N 5.703 128.649 122.820 0.211 0.000 2.582 405 A HA 0.549 4.869 4.320 -0.000 0.000 0.336 405 A C 0.399 178.017 177.584 0.057 0.000 1.445 405 A CA -0.261 51.839 52.037 0.105 0.000 0.997 405 A CB -0.258 18.872 19.000 0.217 0.000 1.148 405 A HN 0.835 nan 8.150 nan 0.000 0.514 406 L N 1.144 122.407 121.223 0.067 0.000 2.607 406 L HA 0.100 4.440 4.340 -0.000 0.000 0.228 406 L C 0.545 177.444 176.870 0.049 0.000 1.123 406 L CA 0.059 54.933 54.840 0.056 0.000 0.890 406 L CB 0.054 42.176 42.059 0.105 0.000 1.103 406 L HN 0.528 nan 8.230 nan 0.000 0.468 407 S N 0.708 116.429 115.700 0.035 0.000 2.580 407 S HA 0.287 4.757 4.470 -0.000 0.000 0.274 407 S C 0.013 174.622 174.600 0.015 0.000 1.329 407 S CA -0.496 57.718 58.200 0.024 0.000 1.036 407 S CB 0.859 64.060 63.200 0.002 0.000 0.919 407 S HN 0.219 nan 8.310 nan 0.000 0.515 408 N N 2.044 120.747 118.700 0.005 0.000 2.328 408 N HA 0.579 5.318 4.740 -0.000 0.000 0.299 408 N C -2.540 172.957 175.510 -0.022 0.000 1.179 408 N CA -1.472 51.569 53.050 -0.015 0.000 0.793 408 N CB 1.098 39.572 38.487 -0.021 0.000 1.366 408 N HN 0.322 nan 8.380 nan 0.000 0.493 409 P HA 0.228 nan 4.420 nan 0.000 0.302 409 P C 0.467 177.733 177.300 -0.057 0.000 1.307 409 P CA -0.099 62.968 63.100 -0.056 0.000 0.754 409 P CB 0.232 31.895 31.700 -0.061 0.000 1.298 410 T N -0.499 113.990 114.554 -0.108 0.000 2.684 410 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 410 T C 1.903 176.597 174.700 -0.009 0.000 1.032 410 T CA 2.651 64.671 62.100 -0.133 0.000 1.155 410 T CB -1.459 67.281 68.868 -0.213 0.000 0.857 410 T HN 0.658 nan 8.240 nan 0.000 0.457 411 S N 1.643 117.336 115.700 -0.013 0.000 2.400 411 S HA -0.096 4.374 4.470 -0.000 0.000 0.232 411 S C 1.680 176.293 174.600 0.021 0.000 1.025 411 S CA 0.711 58.918 58.200 0.012 0.000 0.993 411 S CB -0.275 62.923 63.200 -0.004 0.000 0.808 411 S HN 0.417 nan 8.310 nan 0.000 0.478 412 K N 1.774 122.180 120.400 0.011 0.000 2.417 412 K HA 0.439 4.759 4.320 -0.000 0.000 0.196 412 K C 0.575 177.182 176.600 0.012 0.000 1.023 412 K CA 0.341 56.632 56.287 0.007 0.000 1.122 412 K CB 0.036 32.535 32.500 -0.003 0.000 0.850 412 K HN 0.509 nan 8.250 nan 0.000 0.521 413 A N 1.323 124.175 122.820 0.053 0.000 2.445 413 A HA 0.077 4.397 4.320 -0.000 0.000 0.242 413 A C 0.820 178.407 177.584 0.006 0.000 1.075 413 A CA -0.155 51.931 52.037 0.082 0.000 0.777 413 A CB 0.378 19.537 19.000 0.265 0.000 1.013 413 A HN 0.112 nan 8.150 nan 0.000 0.493 414 E N -0.288 119.832 120.200 -0.133 0.000 2.204 414 E HA 0.002 4.351 4.350 -0.000 0.000 0.195 414 E C 0.489 177.014 176.600 -0.126 0.000 0.990 414 E CA 1.571 57.759 56.400 -0.353 0.000 0.821 414 E CB -0.374 28.596 29.700 -1.218 0.000 0.750 414 E HN 0.879 nan 8.360 nan 0.000 0.477 415 C N -2.661 116.653 119.300 0.023 0.000 3.253 415 C HA 0.605 5.065 4.460 -0.000 0.000 0.342 415 C C -0.027 174.927 174.990 -0.061 0.000 1.306 415 C CA -1.178 57.856 59.018 0.027 0.000 1.207 415 C CB 0.850 28.615 27.740 0.041 0.000 1.479 415 C HN 0.179 nan 8.230 nan 0.000 0.469 416 S N 1.509 117.071 115.700 -0.230 0.000 2.603 416 S HA 0.573 5.043 4.470 -0.000 0.000 0.268 416 S C 1.220 175.213 174.600 -1.011 0.000 1.317 416 S CA 0.290 58.098 58.200 -0.654 0.000 1.012 416 S CB 1.269 64.283 63.200 -0.311 0.000 0.926 416 S HN 2.380 nan 8.310 nan 0.000 0.539 417 A N 1.304 123.281 122.820 -1.405 0.000 1.908 417 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 417 A C 2.114 179.291 177.584 -0.678 0.000 1.181 417 A CA 1.960 53.298 52.037 -1.165 0.000 0.627 417 A CB -1.361 17.375 19.000 -0.440 0.000 0.818 417 A HN 0.986 nan 8.150 nan 0.000 0.445 418 E N -0.650 119.327 120.200 -0.371 0.000 2.051 418 E HA -0.252 4.097 4.350 -0.000 0.000 0.192 418 E C 2.209 178.690 176.600 -0.198 0.000 0.991 418 E CA 1.788 58.092 56.400 -0.160 0.000 0.799 418 E CB -0.232 29.421 29.700 -0.079 0.000 0.748 418 E HN 0.614 nan 8.360 nan 0.000 0.449 419 Q N -0.112 119.536 119.800 -0.255 0.000 2.084 419 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 419 Q C 2.276 178.113 176.000 -0.272 0.000 0.978 419 Q CA 1.913 57.594 55.803 -0.205 0.000 0.844 419 Q CB -0.997 27.643 28.738 -0.163 0.000 0.898 419 Q HN 0.470 nan 8.270 nan 0.000 0.426 420 C N -0.414 118.585 119.300 -0.501 0.000 2.413 420 C HA -0.179 4.281 4.460 -0.000 0.000 0.277 420 C C 2.400 177.146 174.990 -0.407 0.000 1.228 420 C CA 1.201 59.870 59.018 -0.583 0.000 1.731 420 C CB -1.228 25.799 27.740 -1.187 0.000 2.042 420 C HN 0.729 nan 8.230 nan 0.000 0.468 421 Y N 1.141 121.265 120.300 -0.292 0.000 2.263 421 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 421 Y C 2.765 178.588 175.900 -0.128 0.000 1.130 421 Y CA 1.557 59.553 58.100 -0.174 0.000 1.179 421 Y CB -0.495 37.874 38.460 -0.151 0.000 0.998 421 Y HN 0.395 nan 8.280 nan 0.000 0.532 422 K N 0.866 121.273 120.400 0.012 0.000 1.991 422 K HA -0.148 4.172 4.320 -0.000 0.000 0.212 422 K C 1.610 178.192 176.600 -0.031 0.000 1.049 422 K CA 1.971 58.249 56.287 -0.014 0.000 0.932 422 K CB -1.216 31.262 32.500 -0.037 0.000 0.717 422 K HN 0.252 nan 8.250 nan 0.000 0.441 423 I N 2.384 122.917 120.570 -0.061 0.000 2.493 423 I HA -0.127 4.043 4.170 -0.000 0.000 0.254 423 I C 2.354 178.435 176.117 -0.060 0.000 1.160 423 I CA 2.140 63.402 61.300 -0.064 0.000 1.445 423 I CB -1.101 36.853 38.000 -0.078 0.000 1.086 423 I HN 0.601 nan 8.210 nan 0.000 0.433 424 T N -2.569 111.954 114.554 -0.051 0.000 3.188 424 T HA 0.050 4.400 4.350 -0.000 0.000 0.250 424 T C 0.752 175.447 174.700 -0.009 0.000 1.077 424 T CA -0.096 61.983 62.100 -0.036 0.000 0.967 424 T CB -0.288 68.565 68.868 -0.025 0.000 1.006 424 T HN 0.101 nan 8.240 nan 0.000 0.552 425 K N 0.262 120.658 120.400 -0.007 0.000 3.077 425 K HA -0.148 4.172 4.320 -0.000 0.000 0.264 425 K C 1.543 178.151 176.600 0.014 0.000 1.008 425 K CA 0.883 57.169 56.287 -0.003 0.000 0.740 425 K CB -2.737 29.754 32.500 -0.016 0.000 1.273 425 K HN 1.716 nan 8.250 nan 0.000 0.477 426 G N -0.770 108.062 108.800 0.053 0.000 2.189 426 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.267 426 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.267 426 G C 0.935 175.882 174.900 0.079 0.000 0.975 426 G CA 0.784 45.916 45.100 0.053 0.000 0.644 426 G HN 0.583 nan 8.290 nan 0.000 0.537 427 R N 0.432 120.977 120.500 0.075 0.000 2.210 427 R HA 0.433 4.773 4.340 -0.000 0.000 0.203 427 R C 1.741 178.104 176.300 0.104 0.000 1.010 427 R CA 0.637 56.776 56.100 0.065 0.000 1.008 427 R CB 0.084 30.400 30.300 0.027 0.000 0.923 427 R HN 0.598 nan 8.270 nan 0.000 0.469 428 A N 1.700 124.604 122.820 0.139 0.000 2.462 428 A HA 0.192 4.512 4.320 -0.000 0.000 0.243 428 A C 0.085 177.830 177.584 0.268 0.000 1.076 428 A CA 0.005 52.130 52.037 0.145 0.000 0.773 428 A CB 0.073 19.109 19.000 0.060 0.000 1.010 428 A HN 0.165 nan 8.150 nan 0.000 0.493 429 I N 2.422 123.131 120.570 0.232 0.000 2.297 429 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 429 I C -0.599 175.751 176.117 0.389 0.000 1.033 429 I CA 0.100 61.574 61.300 0.290 0.000 1.253 429 I CB 0.558 38.676 38.000 0.197 0.000 1.396 429 I HN 0.631 nan 8.210 nan 0.000 0.476 430 F N 6.772 126.862 119.950 0.232 0.000 2.540 430 F HA 0.833 5.360 4.527 -0.000 0.000 0.317 430 F C -0.571 175.325 175.800 0.159 0.000 1.104 430 F CA -0.492 57.602 58.000 0.157 0.000 0.913 430 F CB 1.495 40.392 39.000 -0.171 0.000 1.170 430 F HN 0.433 nan 8.300 nan 0.000 0.450 431 A N 3.019 125.449 122.820 -0.650 0.000 2.515 431 A HA 0.859 5.179 4.320 -0.000 0.000 0.296 431 A C -1.269 175.775 177.584 -0.900 0.000 1.094 431 A CA -0.145 51.484 52.037 -0.679 0.000 0.718 431 A CB 1.548 20.209 19.000 -0.565 0.000 1.307 431 A HN 1.153 nan 8.150 nan 0.000 0.408 432 S N -0.712 114.720 115.700 -0.445 0.000 2.661 432 S HA 0.693 5.163 4.470 -0.000 0.000 0.285 432 S C 0.794 175.349 174.600 -0.074 0.000 1.138 432 S CA -0.011 58.074 58.200 -0.193 0.000 0.855 432 S CB 1.218 64.498 63.200 0.134 0.000 1.136 432 S HN 1.714 nan 8.310 nan 0.000 0.484 433 G N 0.571 109.359 108.800 -0.019 0.000 2.396 433 G HA2 0.219 4.178 3.960 -0.000 0.000 0.214 433 G HA3 0.219 4.178 3.960 -0.000 0.000 0.214 433 G C 0.267 175.148 174.900 -0.030 0.000 1.166 433 G CA 0.254 45.342 45.100 -0.020 0.000 0.793 433 G HN 0.733 nan 8.290 nan 0.000 0.533 434 S N 1.646 117.318 115.700 -0.046 0.000 2.525 434 S HA 0.529 4.999 4.470 -0.000 0.000 0.290 434 S C -2.633 171.855 174.600 -0.185 0.000 1.152 434 S CA -1.012 57.114 58.200 -0.123 0.000 1.072 434 S CB 2.354 65.438 63.200 -0.194 0.000 1.027 434 S HN 0.106 nan 8.310 nan 0.000 0.500 435 P HA 0.336 nan 4.420 nan 0.000 0.276 435 P C -1.244 175.953 177.300 -0.173 0.000 1.230 435 P CA -0.184 62.873 63.100 -0.071 0.000 0.776 435 P CB 0.244 31.925 31.700 -0.032 0.000 0.888 436 F N 0.738 120.759 119.950 0.119 0.000 2.538 436 F HA 0.281 4.808 4.527 -0.000 0.000 0.325 436 F C 1.108 176.985 175.800 0.128 0.000 1.066 436 F CA -0.563 57.516 58.000 0.132 0.000 0.946 436 F CB 1.121 40.236 39.000 0.191 0.000 1.199 436 F HN 0.171 nan 8.300 nan 0.000 0.473 437 D N 2.244 122.834 120.400 0.317 0.000 2.382 437 D HA 0.150 4.790 4.640 -0.000 0.000 0.240 437 D C -2.239 174.162 176.300 0.169 0.000 1.146 437 D CA -0.744 53.374 54.000 0.198 0.000 0.897 437 D CB 0.520 41.405 40.800 0.143 0.000 1.197 437 D HN 0.089 nan 8.370 nan 0.000 0.432 438 P HA -0.011 nan 4.420 nan 0.000 0.265 438 P C -0.599 176.641 177.300 -0.099 0.000 1.187 438 P CA -0.015 63.009 63.100 -0.126 0.000 0.766 438 P CB 0.553 32.039 31.700 -0.357 0.000 0.820 439 V N 3.396 123.230 119.914 -0.133 0.000 2.417 439 V HA 0.282 4.402 4.120 -0.000 0.000 0.291 439 V C 0.346 176.331 176.094 -0.180 0.000 1.024 439 V CA -0.302 61.944 62.300 -0.090 0.000 0.861 439 V CB 1.724 33.558 31.823 0.018 0.000 0.985 439 V HN 0.478 nan 8.190 nan 0.000 0.436 440 T N 6.627 121.106 114.554 -0.124 0.000 2.806 440 T HA 0.622 4.972 4.350 -0.000 0.000 0.290 440 T C -0.036 174.608 174.700 -0.093 0.000 0.966 440 T CA -0.138 61.892 62.100 -0.117 0.000 1.060 440 T CB 0.692 69.513 68.868 -0.079 0.000 0.927 440 T HN 0.335 nan 8.240 nan 0.000 0.485 441 L N 4.463 125.624 121.223 -0.103 0.000 2.416 441 L HA 0.364 4.704 4.340 -0.000 0.000 0.263 441 L C -1.221 175.617 176.870 -0.052 0.000 1.065 441 L CA -2.403 52.389 54.840 -0.080 0.000 0.798 441 L CB 0.647 42.646 42.059 -0.100 0.000 1.267 441 L HN 0.380 nan 8.230 nan 0.000 0.467 442 P HA -0.099 nan 4.420 nan 0.000 0.218 442 P C 0.984 178.268 177.300 -0.027 0.000 1.149 442 P CA 0.973 64.056 63.100 -0.028 0.000 0.817 442 P CB 0.109 31.794 31.700 -0.024 0.000 0.785 443 N N -0.825 117.856 118.700 -0.032 0.000 2.144 443 N HA -0.221 4.519 4.740 -0.000 0.000 0.195 443 N C 1.453 176.947 175.510 -0.027 0.000 1.006 443 N CA 2.519 55.551 53.050 -0.030 0.000 0.880 443 N CB -0.764 37.698 38.487 -0.041 0.000 1.018 443 N HN 0.239 nan 8.380 nan 0.000 0.443 444 G N -3.787 104.993 108.800 -0.033 0.000 2.258 444 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.233 444 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.233 444 G C 0.242 175.122 174.900 -0.033 0.000 1.006 444 G CA 0.749 45.833 45.100 -0.028 0.000 0.620 444 G HN 0.834 nan 8.290 nan 0.000 0.511 445 Q N 0.829 120.604 119.800 -0.042 0.000 2.313 445 Q HA 0.615 4.955 4.340 -0.000 0.000 0.266 445 Q C 0.339 176.285 176.000 -0.090 0.000 0.989 445 Q CA 0.947 56.722 55.803 -0.045 0.000 0.890 445 Q CB 0.149 28.861 28.738 -0.042 0.000 1.200 445 Q HN 0.836 nan 8.270 nan 0.000 0.396 446 T N 3.237 117.738 114.554 -0.088 0.000 2.767 446 T HA 0.599 4.949 4.350 -0.000 0.000 0.288 446 T C 0.066 174.609 174.700 -0.262 0.000 0.963 446 T CA -0.272 61.705 62.100 -0.205 0.000 1.019 446 T CB 0.175 68.899 68.868 -0.241 0.000 0.923 446 T HN 0.551 nan 8.240 nan 0.000 0.468 447 L N 3.218 124.217 121.223 -0.373 0.000 2.322 447 L HA 0.472 4.811 4.340 -0.000 0.000 0.279 447 L C -0.886 175.787 176.870 -0.327 0.000 1.036 447 L CA -1.016 53.641 54.840 -0.305 0.000 0.807 447 L CB 1.098 42.815 42.059 -0.570 0.000 1.226 447 L HN 0.705 nan 8.230 nan 0.000 0.433 448 Y N 2.729 123.071 120.300 0.070 0.000 2.919 448 Y HA 0.257 4.807 4.550 -0.000 0.000 0.341 448 Y C -1.993 174.030 175.900 0.206 0.000 1.045 448 Y CA -2.590 55.591 58.100 0.135 0.000 1.218 448 Y CB 0.326 38.845 38.460 0.099 0.000 1.137 448 Y HN 0.343 nan 8.280 nan 0.000 0.577 449 P HA 0.021 nan 4.420 nan 0.000 0.264 449 P C 0.605 178.096 177.300 0.318 0.000 1.193 449 P CA 0.356 63.722 63.100 0.443 0.000 0.763 449 P CB 1.161 33.229 31.700 0.612 0.000 0.810 450 G N 2.699 111.647 108.800 0.247 0.000 2.507 450 G HA2 0.217 4.176 3.960 -0.000 0.000 0.271 450 G HA3 0.217 4.176 3.960 -0.000 0.000 0.271 450 G C -0.769 174.240 174.900 0.181 0.000 1.189 450 G CA -0.427 44.827 45.100 0.255 0.000 0.859 450 G HN 0.563 nan 8.290 nan 0.000 0.542 451 Q N 0.294 120.166 119.800 0.120 0.000 2.314 451 Q HA 0.408 4.748 4.340 -0.000 0.000 0.259 451 Q C 0.615 176.462 176.000 -0.254 0.000 0.951 451 Q CA -0.725 55.069 55.803 -0.015 0.000 0.909 451 Q CB 1.107 29.847 28.738 0.003 0.000 1.236 451 Q HN 0.583 nan 8.270 nan 0.000 0.444 452 G N 4.137 112.774 108.800 -0.272 0.000 3.090 452 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.259 452 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.259 452 G C -0.098 174.693 174.900 -0.180 0.000 0.797 452 G CA -0.184 44.687 45.100 -0.383 0.000 2.032 452 G HN 0.692 nan 8.290 nan 0.000 0.614 453 N N 0.464 119.074 118.700 -0.151 0.000 2.444 453 N HA 0.093 4.833 4.740 -0.000 0.000 0.271 453 N C 1.210 176.724 175.510 0.008 0.000 1.069 453 N CA -0.720 52.283 53.050 -0.078 0.000 0.965 453 N CB 0.617 38.956 38.487 -0.246 0.000 1.092 453 N HN 0.058 nan 8.380 nan 0.000 0.476 454 N N 0.668 119.447 118.700 0.132 0.000 2.443 454 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 454 N C 1.175 176.793 175.510 0.181 0.000 1.037 454 N CA 0.730 53.943 53.050 0.271 0.000 0.896 454 N CB -0.066 38.668 38.487 0.412 0.000 0.959 454 N HN 0.593 nan 8.380 nan 0.000 0.442 455 S N -1.264 114.391 115.700 -0.075 0.000 2.607 455 S HA 0.001 4.470 4.470 -0.000 0.000 0.224 455 S C 1.558 175.782 174.600 -0.626 0.000 0.969 455 S CA -0.016 57.761 58.200 -0.704 0.000 0.927 455 S CB -0.547 62.381 63.200 -0.454 0.000 0.772 455 S HN 0.353 nan 8.310 nan 0.000 0.533 456 Y N 0.857 120.993 120.300 -0.272 0.000 2.509 456 Y HA 0.045 4.595 4.550 -0.000 0.000 0.293 456 Y C 2.189 177.974 175.900 -0.191 0.000 1.133 456 Y CA 0.597 58.575 58.100 -0.204 0.000 1.283 456 Y CB 0.093 38.474 38.460 -0.131 0.000 1.001 456 Y HN 0.228 nan 8.280 nan 0.000 0.555 457 V N -1.311 118.568 119.914 -0.058 0.000 2.735 457 V HA -0.148 3.972 4.120 -0.000 0.000 0.234 457 V C 1.832 177.873 176.094 -0.089 0.000 1.121 457 V CA 0.936 63.241 62.300 0.008 0.000 1.160 457 V CB -0.746 31.192 31.823 0.192 0.000 0.908 457 V HN 0.358 nan 8.190 nan 0.000 0.495 458 F N 1.564 121.514 119.950 -0.001 0.000 2.171 458 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 458 F C -0.254 175.352 175.800 -0.323 0.000 1.090 458 F CA 1.188 59.151 58.000 -0.062 0.000 1.293 458 F CB -2.681 36.386 39.000 0.111 0.000 1.013 458 F HN 0.257 nan 8.300 nan 0.000 0.486 459 P HA 0.001 nan 4.420 nan 0.000 0.216 459 P C 2.046 179.185 177.300 -0.268 0.000 1.153 459 P CA 2.176 64.979 63.100 -0.494 0.000 0.844 459 P CB -0.381 31.014 31.700 -0.509 0.000 0.787 460 G N -0.420 108.242 108.800 -0.230 0.000 2.403 460 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 460 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 460 G C 1.600 176.414 174.900 -0.142 0.000 1.154 460 G CA 0.471 45.483 45.100 -0.147 0.000 0.784 460 G HN 0.126 nan 8.290 nan 0.000 0.538 461 V N 1.668 121.470 119.914 -0.188 0.000 2.261 461 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 461 V C 3.346 179.355 176.094 -0.142 0.000 1.047 461 V CA 2.073 64.222 62.300 -0.250 0.000 1.015 461 V CB -0.952 30.591 31.823 -0.466 0.000 0.642 461 V HN 0.453 nan 8.190 nan 0.000 0.446 462 A N -0.107 122.681 122.820 -0.053 0.000 1.908 462 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 462 A C 2.184 179.810 177.584 0.071 0.000 1.181 462 A CA 2.293 54.401 52.037 0.118 0.000 0.627 462 A CB -0.655 18.522 19.000 0.295 0.000 0.818 462 A HN 0.467 nan 8.150 nan 0.000 0.445 463 L N 0.100 121.328 121.223 0.009 0.000 2.017 463 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 463 L C 2.401 179.270 176.870 -0.002 0.000 1.073 463 L CA 2.551 57.392 54.840 0.002 0.000 0.745 463 L CB -1.224 40.818 42.059 -0.030 0.000 0.894 463 L HN 0.291 nan 8.230 nan 0.000 0.432 464 G N -0.968 107.818 108.800 -0.024 0.000 2.446 464 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 464 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 464 G C 1.512 176.408 174.900 -0.006 0.000 1.168 464 G CA 1.209 46.300 45.100 -0.014 0.000 0.771 464 G HN 0.349 nan 8.290 nan 0.000 0.551 465 V N 0.457 120.357 119.914 -0.023 0.000 2.261 465 V HA -0.175 3.944 4.120 -0.000 0.000 0.246 465 V C 3.034 179.143 176.094 0.026 0.000 1.047 465 V CA 1.611 63.905 62.300 -0.011 0.000 1.015 465 V CB -0.627 31.195 31.823 -0.002 0.000 0.642 465 V HN 0.234 nan 8.190 nan 0.000 0.446 466 V N 0.257 120.200 119.914 0.048 0.000 2.407 466 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 466 V C 2.679 178.806 176.094 0.056 0.000 1.055 466 V CA 1.915 64.248 62.300 0.054 0.000 1.049 466 V CB -1.097 30.761 31.823 0.058 0.000 0.662 466 V HN 0.563 nan 8.190 nan 0.000 0.455 467 A N -0.004 122.851 122.820 0.057 0.000 1.902 467 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 467 A C 2.183 179.927 177.584 0.266 0.000 1.181 467 A CA 2.070 54.164 52.037 0.095 0.000 0.623 467 A CB -0.798 18.247 19.000 0.074 0.000 0.818 467 A HN 0.813 nan 8.150 nan 0.000 0.443 468 C N -3.019 116.384 119.300 0.172 0.000 2.906 468 C HA 0.585 5.045 4.460 -0.000 0.000 0.274 468 C C 1.553 176.519 174.990 -0.039 0.000 1.257 468 C CA 0.004 59.060 59.018 0.063 0.000 1.695 468 C CB -0.687 26.947 27.740 -0.177 0.000 1.958 468 C HN 1.763 nan 8.230 nan 0.000 0.619 469 G N 1.605 110.418 108.800 0.022 0.000 2.182 469 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.248 469 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.248 469 G C -0.206 174.695 174.900 0.002 0.000 1.042 469 G CA 0.142 45.258 45.100 0.027 0.000 0.775 469 G HN 0.707 nan 8.290 nan 0.000 0.501 470 L N -0.399 120.815 121.223 -0.015 0.000 2.499 470 L HA 0.220 4.560 4.340 -0.000 0.000 0.273 470 L C 2.054 178.940 176.870 0.025 0.000 1.195 470 L CA -0.230 54.602 54.840 -0.013 0.000 0.882 470 L CB 0.478 42.521 42.059 -0.028 0.000 1.133 470 L HN 0.257 nan 8.230 nan 0.000 0.483 471 R N 1.728 122.245 120.500 0.028 0.000 2.254 471 R HA 0.081 4.421 4.340 -0.000 0.000 0.195 471 R C -0.165 176.172 176.300 0.062 0.000 0.957 471 R CA 0.308 56.434 56.100 0.043 0.000 1.024 471 R CB 0.351 30.665 30.300 0.024 0.000 0.952 471 R HN 0.590 nan 8.270 nan 0.000 0.484 472 Q N -0.211 119.626 119.800 0.061 0.000 2.379 472 Q HA 0.459 4.799 4.340 -0.000 0.000 0.278 472 Q C -1.314 174.739 176.000 0.089 0.000 1.068 472 Q CA -0.295 55.562 55.803 0.089 0.000 0.816 472 Q CB 2.920 31.701 28.738 0.072 0.000 1.387 472 Q HN 0.035 nan 8.270 nan 0.000 0.413 473 I N 2.151 122.804 120.570 0.138 0.000 2.371 473 I HA 0.313 4.483 4.170 -0.000 0.000 0.282 473 I C 0.105 176.329 176.117 0.178 0.000 1.031 473 I CA -0.654 60.718 61.300 0.119 0.000 1.180 473 I CB 1.090 39.185 38.000 0.160 0.000 1.336 473 I HN 0.627 nan 8.210 nan 0.000 0.467 474 T N -0.264 114.360 114.554 0.117 0.000 2.849 474 T HA 0.170 4.520 4.350 -0.000 0.000 0.284 474 T C 0.866 175.707 174.700 0.233 0.000 1.004 474 T CA -0.660 61.530 62.100 0.151 0.000 1.021 474 T CB 1.490 70.412 68.868 0.089 0.000 1.013 474 T HN 0.384 nan 8.240 nan 0.000 0.527 475 D N 0.420 120.960 120.400 0.234 0.000 2.221 475 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 475 D C 1.848 178.260 176.300 0.187 0.000 0.982 475 D CA 0.829 54.985 54.000 0.259 0.000 0.857 475 D CB -0.156 40.751 40.800 0.179 0.000 0.934 475 D HN 0.518 nan 8.370 nan 0.000 0.475 476 N N 0.793 119.556 118.700 0.104 0.000 2.188 476 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 476 N C 2.130 177.650 175.510 0.017 0.000 1.018 476 N CA 0.677 53.758 53.050 0.051 0.000 0.858 476 N CB -0.025 38.478 38.487 0.027 0.000 0.989 476 N HN 0.360 nan 8.380 nan 0.000 0.426 477 I N -1.433 119.116 120.570 -0.035 0.000 2.614 477 I HA -0.069 4.101 4.170 -0.000 0.000 0.258 477 I C 1.650 177.610 176.117 -0.262 0.000 1.189 477 I CA 1.176 62.376 61.300 -0.168 0.000 1.462 477 I CB -0.534 37.317 38.000 -0.247 0.000 1.092 477 I HN -0.154 nan 8.210 nan 0.000 0.442 478 F N -0.119 119.815 119.950 -0.028 0.000 2.234 478 F HA -0.011 4.516 4.527 -0.000 0.000 0.296 478 F C 2.181 177.983 175.800 0.004 0.000 1.089 478 F CA 1.068 59.057 58.000 -0.018 0.000 1.343 478 F CB -0.447 38.554 39.000 0.001 0.000 1.040 478 F HN 0.177 nan 8.300 nan 0.000 0.498 479 L N 0.380 121.697 121.223 0.157 0.000 1.994 479 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 479 L C 2.695 179.596 176.870 0.052 0.000 1.071 479 L CA 2.581 57.478 54.840 0.094 0.000 0.745 479 L CB -1.479 40.617 42.059 0.060 0.000 0.892 479 L HN 0.317 nan 8.230 nan 0.000 0.431 480 T N -4.520 110.043 114.554 0.016 0.000 2.915 480 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 480 T C 1.779 176.472 174.700 -0.011 0.000 1.071 480 T CA 1.716 63.814 62.100 -0.003 0.000 1.132 480 T CB -0.822 68.034 68.868 -0.020 0.000 0.878 480 T HN 0.382 nan 8.240 nan 0.000 0.479 481 T N 1.936 116.473 114.554 -0.029 0.000 2.708 481 T HA 0.093 4.443 4.350 -0.000 0.000 0.266 481 T C 2.441 177.156 174.700 0.026 0.000 1.037 481 T CA 1.370 63.453 62.100 -0.029 0.000 1.146 481 T CB -0.913 67.904 68.868 -0.084 0.000 0.865 481 T HN 0.628 nan 8.240 nan 0.000 0.435 482 A N 1.573 124.433 122.820 0.067 0.000 1.908 482 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 482 A C 2.166 179.776 177.584 0.044 0.000 1.181 482 A CA 1.905 53.990 52.037 0.080 0.000 0.627 482 A CB -0.629 18.436 19.000 0.109 0.000 0.818 482 A HN 0.596 nan 8.150 nan 0.000 0.445 483 E N -0.567 119.652 120.200 0.032 0.000 2.085 483 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 483 E C 1.947 178.551 176.600 0.007 0.000 0.994 483 E CA 1.316 57.726 56.400 0.018 0.000 0.801 483 E CB -0.257 29.452 29.700 0.015 0.000 0.743 483 E HN 0.410 nan 8.360 nan 0.000 0.453 484 V N 1.224 121.140 119.914 0.004 0.000 2.427 484 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 484 V C 2.157 178.250 176.094 -0.002 0.000 1.051 484 V CA 1.390 63.689 62.300 -0.001 0.000 1.048 484 V CB -0.327 31.492 31.823 -0.008 0.000 0.666 484 V HN 0.268 nan 8.190 nan 0.000 0.456 485 I N 0.458 121.028 120.570 0.001 0.000 2.226 485 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 485 I C 2.666 178.761 176.117 -0.038 0.000 1.100 485 I CA 1.504 62.795 61.300 -0.015 0.000 1.374 485 I CB -0.602 37.398 38.000 -0.001 0.000 1.057 485 I HN 0.285 nan 8.210 nan 0.000 0.413 486 A N 0.151 122.952 122.820 -0.032 0.000 1.898 486 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 486 A C 2.292 179.860 177.584 -0.026 0.000 1.181 486 A CA 1.607 53.614 52.037 -0.050 0.000 0.620 486 A CB -0.812 18.167 19.000 -0.036 0.000 0.819 486 A HN 0.393 nan 8.150 nan 0.000 0.442 487 Q N -1.329 118.465 119.800 -0.011 0.000 2.297 487 Q HA -0.203 4.137 4.340 -0.000 0.000 0.208 487 Q C 2.087 178.089 176.000 0.004 0.000 0.981 487 Q CA 1.752 57.553 55.803 -0.002 0.000 0.876 487 Q CB -0.430 28.308 28.738 0.000 0.000 0.921 487 Q HN 0.842 nan 8.270 nan 0.000 0.446 488 Q N -0.787 119.015 119.800 0.005 0.000 2.424 488 Q HA 0.120 4.459 4.340 -0.000 0.000 0.204 488 Q C 0.056 176.091 176.000 0.058 0.000 0.933 488 Q CA 0.098 55.916 55.803 0.024 0.000 0.929 488 Q CB 0.639 29.389 28.738 0.020 0.000 1.037 488 Q HN 0.340 nan 8.270 nan 0.000 0.511 489 V N 1.948 121.887 119.914 0.041 0.000 2.470 489 V HA 0.144 4.264 4.120 -0.000 0.000 0.276 489 V C 0.326 176.488 176.094 0.112 0.000 1.040 489 V CA -0.254 62.109 62.300 0.105 0.000 1.008 489 V CB 0.689 32.516 31.823 0.007 0.000 0.990 489 V HN 0.300 nan 8.190 nan 0.000 0.477 490 S N 3.234 119.036 115.700 0.169 0.000 2.603 490 S HA 0.160 4.630 4.470 -0.000 0.000 0.268 490 S C 0.816 175.387 174.600 -0.048 0.000 1.317 490 S CA -0.593 57.571 58.200 -0.060 0.000 1.012 490 S CB 1.009 64.010 63.200 -0.332 0.000 0.926 490 S HN 0.701 nan 8.310 nan 0.000 0.539 491 D N 1.228 121.594 120.400 -0.057 0.000 2.178 491 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 491 D C 1.947 178.223 176.300 -0.039 0.000 0.980 491 D CA 1.076 55.058 54.000 -0.030 0.000 0.842 491 D CB -0.196 40.587 40.800 -0.027 0.000 0.948 491 D HN 0.547 nan 8.370 nan 0.000 0.472 492 K N 0.509 120.846 120.400 -0.105 0.000 2.009 492 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 492 K C 2.042 178.624 176.600 -0.031 0.000 1.049 492 K CA 1.462 57.687 56.287 -0.104 0.000 0.929 492 K CB -0.835 31.548 32.500 -0.195 0.000 0.714 492 K HN 0.507 nan 8.250 nan 0.000 0.440 493 H N -0.144 118.921 119.070 -0.008 0.000 2.352 493 H HA 0.036 4.592 4.556 -0.000 0.000 0.299 493 H C 2.258 177.598 175.328 0.020 0.000 1.097 493 H CA 1.822 57.868 56.048 -0.003 0.000 1.311 493 H CB -0.098 29.658 29.762 -0.011 0.000 1.377 493 H HN 0.138 nan 8.280 nan 0.000 0.504 494 L N 0.578 121.881 121.223 0.135 0.000 2.046 494 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 494 L C 2.228 179.147 176.870 0.082 0.000 1.077 494 L CA 1.323 56.215 54.840 0.087 0.000 0.747 494 L CB -0.298 41.791 42.059 0.050 0.000 0.896 494 L HN 0.395 nan 8.230 nan 0.000 0.432 495 E N 0.012 120.251 120.200 0.066 0.000 2.150 495 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 495 E C 1.685 178.334 176.600 0.081 0.000 0.985 495 E CA 0.846 57.279 56.400 0.056 0.000 0.814 495 E CB 0.017 29.737 29.700 0.034 0.000 0.752 495 E HN 0.529 nan 8.360 nan 0.000 0.466 496 E N -0.474 119.801 120.200 0.124 0.000 2.511 496 E HA -0.001 4.348 4.350 -0.000 0.000 0.196 496 E C 0.889 177.618 176.600 0.216 0.000 1.066 496 E CA 0.275 56.798 56.400 0.205 0.000 0.871 496 E CB 0.295 30.144 29.700 0.248 0.000 0.863 496 E HN 0.382 nan 8.360 nan 0.000 0.520 497 G N 2.151 111.043 108.800 0.154 0.000 2.159 497 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.256 497 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.256 497 G C 0.051 175.071 174.900 0.200 0.000 0.977 497 G CA -0.148 45.054 45.100 0.170 0.000 0.652 497 G HN 0.192 nan 8.290 nan 0.000 0.531 498 R N -0.057 120.544 120.500 0.169 0.000 2.234 498 R HA 0.545 4.885 4.340 -0.000 0.000 0.324 498 R C 1.179 177.494 176.300 0.025 0.000 1.054 498 R CA -0.494 55.675 56.100 0.115 0.000 0.912 498 R CB 0.701 31.036 30.300 0.058 0.000 1.030 498 R HN 0.235 nan 8.270 nan 0.000 0.455 499 L N 2.754 123.934 121.223 -0.071 0.000 2.607 499 L HA 0.208 4.548 4.340 -0.000 0.000 0.228 499 L C -0.354 176.110 176.870 -0.677 0.000 1.123 499 L CA 0.281 54.931 54.840 -0.318 0.000 0.890 499 L CB 0.062 41.869 42.059 -0.419 0.000 1.103 499 L HN 0.578 nan 8.230 nan 0.000 0.468 500 Y N -0.769 119.433 120.300 -0.164 0.000 2.553 500 Y HA 0.417 4.967 4.550 -0.000 0.000 0.347 500 Y C -2.215 173.511 175.900 -0.290 0.000 1.019 500 Y CA -2.737 55.165 58.100 -0.330 0.000 1.032 500 Y CB 1.319 39.472 38.460 -0.512 0.000 1.284 500 Y HN -0.211 nan 8.280 nan 0.000 0.466 501 P HA 0.078 nan 4.420 nan 0.000 0.269 501 P C -2.697 174.557 177.300 -0.076 0.000 1.209 501 P CA -1.227 61.788 63.100 -0.143 0.000 0.776 501 P CB 0.174 31.862 31.700 -0.020 0.000 0.876 502 P HA -0.035 nan 4.420 nan 0.000 0.261 502 P C 1.144 178.474 177.300 0.051 0.000 1.173 502 P CA 0.059 63.105 63.100 -0.090 0.000 0.760 502 P CB 0.150 31.771 31.700 -0.131 0.000 0.783 503 L N 4.537 125.800 121.223 0.067 0.000 2.187 503 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 503 L C 2.499 179.351 176.870 -0.031 0.000 1.100 503 L CA 2.446 57.290 54.840 0.006 0.000 0.765 503 L CB -1.769 40.258 42.059 -0.052 0.000 0.904 503 L HN 0.488 nan 8.230 nan 0.000 0.437 504 N N -1.578 117.112 118.700 -0.018 0.000 2.430 504 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 504 N C 1.621 177.126 175.510 -0.008 0.000 1.032 504 N CA 1.672 54.710 53.050 -0.020 0.000 0.893 504 N CB -0.999 37.477 38.487 -0.018 0.000 0.957 504 N HN 0.635 nan 8.380 nan 0.000 0.442 505 T N -2.605 111.957 114.554 0.014 0.000 3.086 505 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 505 T C 2.015 176.730 174.700 0.024 0.000 1.074 505 T CA 0.768 62.883 62.100 0.025 0.000 0.988 505 T CB -1.087 67.810 68.868 0.048 0.000 0.988 505 T HN 0.690 nan 8.240 nan 0.000 0.530 506 I N -0.224 120.348 120.570 0.002 0.000 2.315 506 I HA -0.072 4.098 4.170 -0.000 0.000 0.251 506 I C 2.677 178.771 176.117 -0.039 0.000 1.125 506 I CA 0.682 61.969 61.300 -0.022 0.000 1.392 506 I CB -1.648 36.264 38.000 -0.147 0.000 1.065 506 I HN 0.313 nan 8.210 nan 0.000 0.424 507 R N 0.971 121.448 120.500 -0.040 0.000 2.096 507 R HA -0.231 4.109 4.340 -0.000 0.000 0.240 507 R C 2.140 178.425 176.300 -0.025 0.000 1.139 507 R CA 2.343 58.420 56.100 -0.038 0.000 0.952 507 R CB -1.138 29.145 30.300 -0.030 0.000 0.854 507 R HN 0.665 nan 8.270 nan 0.000 0.436 508 D N -0.127 120.268 120.400 -0.009 0.000 2.123 508 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 508 D C 1.929 178.232 176.300 0.004 0.000 0.976 508 D CA 0.619 54.618 54.000 -0.001 0.000 0.831 508 D CB 0.271 41.077 40.800 0.009 0.000 0.974 508 D HN -0.085 nan 8.370 nan 0.000 0.469 509 V N 0.153 120.078 119.914 0.019 0.000 2.255 509 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 509 V C 2.503 178.596 176.094 -0.002 0.000 1.051 509 V CA 1.952 64.269 62.300 0.029 0.000 1.018 509 V CB -0.848 31.027 31.823 0.086 0.000 0.641 509 V HN 0.191 nan 8.190 nan 0.000 0.445 510 S N 0.264 115.947 115.700 -0.028 0.000 2.365 510 S HA -0.229 4.241 4.470 -0.000 0.000 0.225 510 S C 1.906 176.477 174.600 -0.049 0.000 1.039 510 S CA 2.034 60.195 58.200 -0.065 0.000 1.033 510 S CB -0.535 62.605 63.200 -0.099 0.000 0.887 510 S HN 0.495 nan 8.310 nan 0.000 0.447 511 L N 1.678 122.882 121.223 -0.033 0.000 2.046 511 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 511 L C 1.956 178.820 176.870 -0.011 0.000 1.077 511 L CA 1.869 56.696 54.840 -0.021 0.000 0.747 511 L CB -0.591 41.459 42.059 -0.016 0.000 0.896 511 L HN -0.025 nan 8.230 nan 0.000 0.432 512 K N -0.020 120.375 120.400 -0.008 0.000 2.063 512 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 512 K C 2.023 178.616 176.600 -0.012 0.000 1.048 512 K CA 2.045 58.329 56.287 -0.004 0.000 0.928 512 K CB -0.489 32.012 32.500 0.001 0.000 0.713 512 K HN 0.410 nan 8.250 nan 0.000 0.442 513 I N -0.046 120.509 120.570 -0.024 0.000 2.179 513 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 513 I C 2.141 178.229 176.117 -0.048 0.000 1.088 513 I CA 1.405 62.680 61.300 -0.043 0.000 1.357 513 I CB -0.277 37.686 38.000 -0.061 0.000 1.051 513 I HN 0.165 nan 8.210 nan 0.000 0.409 514 A N 0.082 122.879 122.820 -0.039 0.000 1.929 514 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 514 A C 2.179 179.769 177.584 0.010 0.000 1.176 514 A CA 1.243 53.265 52.037 -0.025 0.000 0.628 514 A CB -0.479 18.508 19.000 -0.021 0.000 0.816 514 A HN 0.406 nan 8.150 nan 0.000 0.444 515 E N -0.293 119.917 120.200 0.017 0.000 2.038 515 E HA -0.268 4.081 4.350 -0.000 0.000 0.195 515 E C 2.099 178.715 176.600 0.027 0.000 1.000 515 E CA 1.564 57.986 56.400 0.037 0.000 0.803 515 E CB -0.142 29.574 29.700 0.027 0.000 0.750 515 E HN 0.424 nan 8.360 nan 0.000 0.448 516 K N 1.420 121.822 120.400 0.004 0.000 2.032 516 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 516 K C 1.877 178.469 176.600 -0.013 0.000 1.048 516 K CA 1.256 57.541 56.287 -0.004 0.000 0.927 516 K CB -0.544 31.947 32.500 -0.016 0.000 0.712 516 K HN 0.101 nan 8.250 nan 0.000 0.441 517 I N -0.154 120.397 120.570 -0.032 0.000 2.151 517 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 517 I C 2.121 178.215 176.117 -0.039 0.000 1.080 517 I CA 1.161 62.428 61.300 -0.054 0.000 1.339 517 I CB -0.284 37.667 38.000 -0.080 0.000 1.039 517 I HN -0.048 nan 8.210 nan 0.000 0.409 518 V N 0.740 120.659 119.914 0.009 0.000 2.307 518 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 518 V C 2.435 178.581 176.094 0.086 0.000 1.045 518 V CA 1.800 64.132 62.300 0.053 0.000 1.024 518 V CB -0.632 31.301 31.823 0.183 0.000 0.651 518 V HN 0.367 nan 8.190 nan 0.000 0.449 519 K N -0.041 120.409 120.400 0.083 0.000 2.044 519 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 519 K C 1.890 178.524 176.600 0.056 0.000 1.049 519 K CA 1.959 58.295 56.287 0.081 0.000 0.927 519 K CB -0.381 32.145 32.500 0.043 0.000 0.713 519 K HN 0.469 nan 8.250 nan 0.000 0.443 520 D N 0.398 120.805 120.400 0.013 0.000 2.144 520 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 520 D C 1.816 178.095 176.300 -0.035 0.000 0.978 520 D CA 1.170 55.166 54.000 -0.006 0.000 0.833 520 D CB -0.186 40.602 40.800 -0.019 0.000 0.961 520 D HN 0.223 nan 8.370 nan 0.000 0.470 521 A N 0.092 122.854 122.820 -0.096 0.000 1.930 521 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 521 A C 1.945 179.378 177.584 -0.252 0.000 1.175 521 A CA 1.020 52.938 52.037 -0.199 0.000 0.627 521 A CB -0.857 17.960 19.000 -0.304 0.000 0.815 521 A HN 0.199 nan 8.150 nan 0.000 0.443 522 Y N -0.665 119.603 120.300 -0.054 0.000 2.220 522 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 522 Y C 3.126 179.026 175.900 0.001 0.000 1.129 522 Y CA 1.449 59.519 58.100 -0.051 0.000 1.161 522 Y CB -0.879 37.504 38.460 -0.129 0.000 0.997 522 Y HN 0.357 nan 8.280 nan 0.000 0.522 523 Q N 0.447 120.316 119.800 0.115 0.000 2.226 523 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 523 Q C 1.356 177.386 176.000 0.050 0.000 0.975 523 Q CA 1.785 57.631 55.803 0.072 0.000 0.866 523 Q CB -0.309 28.457 28.738 0.046 0.000 0.915 523 Q HN 0.734 nan 8.270 nan 0.000 0.440 524 E N -1.147 119.070 120.200 0.028 0.000 2.476 524 E HA 0.074 4.424 4.350 -0.000 0.000 0.196 524 E C 0.251 176.865 176.600 0.024 0.000 1.029 524 E CA 0.179 56.589 56.400 0.017 0.000 0.896 524 E CB 0.602 30.300 29.700 -0.003 0.000 1.012 524 E HN 0.156 nan 8.360 nan 0.000 0.475 525 K N -0.466 119.966 120.400 0.054 0.000 3.020 525 K HA -0.197 4.123 4.320 -0.000 0.000 0.266 525 K C 1.212 177.840 176.600 0.047 0.000 1.067 525 K CA 1.366 57.709 56.287 0.092 0.000 0.780 525 K CB -3.242 29.303 32.500 0.075 0.000 1.220 525 K HN 0.644 nan 8.250 nan 0.000 0.483 526 T N -2.969 111.574 114.554 -0.018 0.000 3.067 526 T HA 0.404 4.754 4.350 -0.000 0.000 0.257 526 T C 1.232 175.887 174.700 -0.074 0.000 1.105 526 T CA 0.350 62.428 62.100 -0.036 0.000 1.104 526 T CB 0.148 68.985 68.868 -0.051 0.000 0.925 526 T HN 0.810 nan 8.240 nan 0.000 0.498 527 A N 2.064 124.766 122.820 -0.198 0.000 2.448 527 A HA 0.482 4.802 4.320 -0.000 0.000 0.239 527 A C 1.433 179.004 177.584 -0.022 0.000 1.080 527 A CA 0.346 52.172 52.037 -0.350 0.000 0.779 527 A CB 0.130 18.441 19.000 -1.148 0.000 1.026 527 A HN 0.544 nan 8.150 nan 0.000 0.499 528 T N -2.071 112.485 114.554 0.003 0.000 3.058 528 T HA 0.270 4.620 4.350 -0.000 0.000 0.278 528 T C -0.095 174.741 174.700 0.227 0.000 0.974 528 T CA 0.224 62.442 62.100 0.198 0.000 0.893 528 T CB -0.311 68.626 68.868 0.115 0.000 1.138 528 T HN 0.331 nan 8.240 nan 0.000 0.529 529 V N 2.842 122.790 119.914 0.057 0.000 2.389 529 V HA 0.474 4.594 4.120 -0.000 0.000 0.264 529 V C -1.004 175.054 176.094 -0.060 0.000 1.049 529 V CA -0.545 61.814 62.300 0.099 0.000 0.932 529 V CB -0.594 31.329 31.823 0.167 0.000 1.011 529 V HN 0.434 nan 8.190 nan 0.000 0.475 530 Y N 4.864 125.245 120.300 0.135 0.000 2.562 530 Y HA 0.637 5.187 4.550 -0.000 0.000 0.343 530 Y C -1.431 174.499 175.900 0.050 0.000 1.025 530 Y CA -2.115 56.037 58.100 0.087 0.000 1.082 530 Y CB 1.318 39.823 38.460 0.075 0.000 1.264 530 Y HN 0.502 nan 8.280 nan 0.000 0.478 531 P HA 0.083 nan 4.420 nan 0.000 0.274 531 P C -0.954 176.251 177.300 -0.159 0.000 1.231 531 P CA -0.586 62.584 63.100 0.116 0.000 0.790 531 P CB 0.910 32.641 31.700 0.052 0.000 0.951 532 E N 2.907 122.952 120.200 -0.258 0.000 2.415 532 E HA 0.069 4.419 4.350 -0.000 0.000 0.263 532 E C -1.752 174.462 176.600 -0.643 0.000 0.995 532 E CA -1.393 54.538 56.400 -0.781 0.000 0.915 532 E CB 0.093 29.428 29.700 -0.609 0.000 0.951 532 E HN 0.279 nan 8.360 nan 0.000 0.449 533 P HA -0.003 nan 4.420 nan 0.000 0.275 533 P C -0.313 176.766 177.300 -0.369 0.000 1.228 533 P CA 0.057 62.828 63.100 -0.548 0.000 0.786 533 P CB 1.077 32.327 31.700 -0.749 0.000 0.927 534 Q N 0.696 120.380 119.800 -0.194 0.000 2.245 534 Q HA -0.035 4.305 4.340 -0.000 0.000 0.201 534 Q C 0.498 176.438 176.000 -0.100 0.000 0.955 534 Q CA 0.929 56.652 55.803 -0.133 0.000 0.870 534 Q CB 0.140 28.831 28.738 -0.078 0.000 0.945 534 Q HN 0.446 nan 8.270 nan 0.000 0.461 535 N N 0.306 118.964 118.700 -0.071 0.000 2.531 535 N HA 0.092 4.832 4.740 -0.000 0.000 0.268 535 N C -0.358 175.162 175.510 0.017 0.000 1.023 535 N CA -0.038 52.998 53.050 -0.022 0.000 0.896 535 N CB 1.292 39.781 38.487 0.003 0.000 1.233 535 N HN -0.219 nan 8.380 nan 0.000 0.512 536 K N 0.538 120.942 120.400 0.007 0.000 2.155 536 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 536 K C 1.657 178.337 176.600 0.134 0.000 1.052 536 K CA 0.988 57.318 56.287 0.071 0.000 0.948 536 K CB -0.125 32.400 32.500 0.042 0.000 0.728 536 K HN 0.581 nan 8.250 nan 0.000 0.448 537 E N 0.484 120.730 120.200 0.075 0.000 2.031 537 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 537 E C 2.038 178.676 176.600 0.064 0.000 0.994 537 E CA 1.283 57.719 56.400 0.059 0.000 0.800 537 E CB -0.600 29.118 29.700 0.031 0.000 0.752 537 E HN 0.401 nan 8.360 nan 0.000 0.447 538 A N -0.398 122.461 122.820 0.065 0.000 1.933 538 A HA -0.026 4.293 4.320 -0.000 0.000 0.218 538 A C 2.145 179.779 177.584 0.083 0.000 1.175 538 A CA 1.695 53.765 52.037 0.056 0.000 0.628 538 A CB -0.980 18.050 19.000 0.050 0.000 0.814 538 A HN 0.620 nan 8.150 nan 0.000 0.444 539 F N 0.720 120.657 119.950 -0.020 0.000 2.102 539 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 539 F C 2.246 178.044 175.800 -0.003 0.000 1.105 539 F CA 2.001 59.991 58.000 -0.017 0.000 1.239 539 F CB -0.353 38.630 39.000 -0.027 0.000 0.991 539 F HN 0.034 nan 8.300 nan 0.000 0.474 540 V N 0.929 120.877 119.914 0.056 0.000 2.295 540 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 540 V C 2.512 178.550 176.094 -0.094 0.000 1.049 540 V CA 2.287 64.559 62.300 -0.047 0.000 1.024 540 V CB -0.728 31.119 31.823 0.039 0.000 0.648 540 V HN 0.275 nan 8.190 nan 0.000 0.447 541 R N 0.837 121.307 120.500 -0.050 0.000 2.103 541 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 541 R C 2.590 178.839 176.300 -0.084 0.000 1.142 541 R CA 1.820 57.888 56.100 -0.053 0.000 0.960 541 R CB -0.678 29.605 30.300 -0.029 0.000 0.858 541 R HN 0.705 nan 8.270 nan 0.000 0.439 542 S N 0.682 116.311 115.700 -0.117 0.000 2.440 542 S HA -0.144 4.326 4.470 -0.000 0.000 0.238 542 S C 1.502 176.002 174.600 -0.166 0.000 1.010 542 S CA 0.945 59.063 58.200 -0.137 0.000 0.972 542 S CB 0.019 63.124 63.200 -0.159 0.000 0.774 542 S HN 0.265 nan 8.310 nan 0.000 0.501 543 Q N 0.257 119.928 119.800 -0.214 0.000 2.280 543 Q HA 0.396 4.736 4.340 -0.000 0.000 0.201 543 Q C -0.139 175.810 176.000 -0.084 0.000 0.890 543 Q CA 0.139 55.836 55.803 -0.176 0.000 0.947 543 Q CB 0.035 28.621 28.738 -0.253 0.000 1.081 543 Q HN 0.652 nan 8.270 nan 0.000 0.502 544 M N 0.402 119.966 119.600 -0.059 0.000 2.300 544 M HA 0.233 4.713 4.480 -0.000 0.000 0.348 544 M C -0.600 175.719 176.300 0.032 0.000 1.151 544 M CA -0.900 54.392 55.300 -0.014 0.000 1.046 544 M CB 1.224 33.807 32.600 -0.029 0.000 1.647 544 M HN -0.033 nan 8.290 nan 0.000 0.451 545 Y N 1.466 121.709 120.300 -0.095 0.000 2.411 545 Y HA 0.235 4.785 4.550 -0.000 0.000 0.333 545 Y C 0.157 176.004 175.900 -0.088 0.000 1.186 545 Y CA 0.318 58.358 58.100 -0.099 0.000 1.381 545 Y CB 0.906 39.279 38.460 -0.146 0.000 1.273 545 Y HN 0.637 nan 8.280 nan 0.000 0.546 546 S N 2.920 118.296 115.700 -0.541 0.000 2.565 546 S HA 0.214 4.684 4.470 -0.000 0.000 0.290 546 S C 0.804 174.953 174.600 -0.752 0.000 1.150 546 S CA -0.401 57.508 58.200 -0.484 0.000 1.058 546 S CB 1.429 64.428 63.200 -0.334 0.000 1.032 546 S HN 0.889 nan 8.310 nan 0.000 0.510 547 T N 2.559 116.875 114.554 -0.396 0.000 3.088 547 T HA 0.099 4.449 4.350 -0.000 0.000 0.259 547 T C -0.249 174.227 174.700 -0.373 0.000 1.122 547 T CA 0.368 62.284 62.100 -0.306 0.000 1.095 547 T CB -0.325 68.442 68.868 -0.169 0.000 0.930 547 T HN 0.561 nan 8.240 nan 0.000 0.508 548 D N 0.888 121.088 120.400 -0.333 0.000 2.350 548 D HA 0.144 4.784 4.640 -0.000 0.000 0.249 548 D C -0.399 175.758 176.300 -0.239 0.000 1.119 548 D CA -0.106 53.729 54.000 -0.275 0.000 0.886 548 D CB 0.404 41.114 40.800 -0.151 0.000 1.195 548 D HN 0.370 nan 8.370 nan 0.000 0.437 549 Y N 0.320 120.573 120.300 -0.079 0.000 2.544 549 Y HA 0.204 4.754 4.550 -0.000 0.000 0.330 549 Y C 1.595 177.470 175.900 -0.040 0.000 1.136 549 Y CA -0.272 57.790 58.100 -0.063 0.000 1.417 549 Y CB -0.055 38.362 38.460 -0.072 0.000 1.229 549 Y HN 0.398 nan 8.280 nan 0.000 0.532 550 D N 2.822 123.300 120.400 0.130 0.000 2.488 550 D HA 0.235 4.875 4.640 -0.000 0.000 0.238 550 D C 0.236 176.594 176.300 0.097 0.000 1.138 550 D CA -0.244 53.805 54.000 0.082 0.000 0.873 550 D CB 0.515 41.362 40.800 0.078 0.000 1.183 550 D HN 0.502 nan 8.370 nan 0.000 0.458 551 Q N 0.000 119.843 119.800 0.072 0.000 2.315 551 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 551 Q CA 0.000 55.846 55.803 0.073 0.000 1.022 551 Q CB 0.000 28.772 28.738 0.057 0.000 1.108 551 Q HN 0.000 nan 8.270 nan 0.000 0.481