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 2qzy_1_B DATA FIRST_RESID 34 DATA SEQUENCE LSTSLSALPA AARDFVEEAV RLCRPREVLL CDGSEEEGKE LLRGLQDDGV DATA SEQUENCE LHPLPKYDNC WLARTDPRDV ARVESKTVLV TPEQSDAVPP PPPSGGPPQL DATA SEQUENCE GNWMSPNAFQ AAVQERFPGC MAGRPLYVIP FSMGPPTSPL AKLGVQVTDS DATA SEQUENCE PYVVLSMRIM TRVGPAVLQR LDDDFVRCLH SVGRPLPLTE PLVSSWPCDP DATA SEQUENCE SRVLVAHIPS ERRIVSFGSG YGGNSLLGKK CFALRIASRM AQQQGWLAEH DATA SEQUENCE MLILGVTSPS GEKRYMAAAF PSACGKTNLA MMTPSLPGWR IHCVGDDIAW DATA SEQUENCE MKFDDEGRLR AINPERGFFG VAPGTSSRTN PNAMATIARN TIFTNVGLRS DATA SEQUENCE DGGVYWDGLD EPTEPGVTYT SWLGKPWKHG DPEPCAHPNS RFCAPADQCP DATA SEQUENCE IMDPRWDDPE GVPIDAIIFG GRRPRGVPLV VEAFGWRHGV FMGSAMRSEX DATA SEQUENCE XXXXXXXXXX LMHDPFAMRP FFGYNAGRYL EHWLSTGLRS NARLPRLFHV DATA SEQUENCE NWFLRDNEGR FVWPGFGHNA RVLAWIFGRI QGRDTARPTP IGWVPKEGDL DATA SEQUENCE DLGGLPGVDY SQLFPMEKGF WEEECRQLRE YYGENFGADL PRDVMAELEG DATA SEQUENCE LEERVRKM 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.891 176.870 0.034 0.000 1.165 34 L CA 0.000 54.877 54.840 0.061 0.000 0.813 34 L CB 0.000 42.114 42.059 0.091 0.000 0.961 35 S N -0.669 115.045 115.700 0.024 0.000 2.541 35 S HA 0.527 4.998 4.470 0.002 0.000 0.271 35 S C 0.547 175.144 174.600 -0.006 0.000 1.133 35 S CA 0.225 58.429 58.200 0.008 0.000 0.876 35 S CB 1.869 65.074 63.200 0.008 0.000 1.105 35 S HN 0.770 nan 8.310 nan 0.000 0.470 36 T N 0.015 114.561 114.554 -0.014 0.000 3.088 36 T HA 0.151 4.502 4.350 0.002 0.000 0.259 36 T C 0.919 175.609 174.700 -0.018 0.000 1.122 36 T CA 0.497 62.583 62.100 -0.024 0.000 1.095 36 T CB -0.103 68.750 68.868 -0.026 0.000 0.930 36 T HN 0.437 nan 8.240 nan 0.000 0.508 37 S N 0.894 116.588 115.700 -0.010 0.000 2.474 37 S HA 0.394 4.865 4.470 0.002 0.000 0.276 37 S C 0.736 175.332 174.600 -0.006 0.000 1.227 37 S CA -0.800 57.395 58.200 -0.007 0.000 1.050 37 S CB -0.023 63.174 63.200 -0.004 0.000 0.939 37 S HN 0.466 nan 8.310 nan 0.000 0.490 38 L N 4.625 125.844 121.223 -0.008 0.000 2.607 38 L HA 0.091 4.431 4.340 0.002 0.000 0.228 38 L C 2.331 179.198 176.870 -0.004 0.000 1.123 38 L CA 0.175 55.011 54.840 -0.006 0.000 0.890 38 L CB -0.349 41.705 42.059 -0.009 0.000 1.103 38 L HN 0.792 nan 8.230 nan 0.000 0.468 39 S N 0.694 116.392 115.700 -0.003 0.000 2.440 39 S HA -0.203 4.268 4.470 0.002 0.000 0.240 39 S C 1.944 176.543 174.600 -0.002 0.000 1.014 39 S CA 1.054 59.253 58.200 -0.001 0.000 0.980 39 S CB -0.271 62.929 63.200 -0.001 0.000 0.775 39 S HN 0.405 nan 8.310 nan 0.000 0.499 40 A N 0.610 123.428 122.820 -0.004 0.000 2.208 40 A HA 0.463 4.784 4.320 0.002 0.000 0.209 40 A C 0.852 178.429 177.584 -0.012 0.000 1.161 40 A CA -0.111 51.922 52.037 -0.006 0.000 0.782 40 A CB -0.317 18.680 19.000 -0.005 0.000 0.816 40 A HN 0.535 nan 8.150 nan 0.000 0.477 41 L N 1.393 122.608 121.223 -0.013 0.000 2.349 41 L HA 0.282 4.623 4.340 0.002 0.000 0.275 41 L C -2.141 174.719 176.870 -0.016 0.000 1.115 41 L CA -1.987 52.838 54.840 -0.025 0.000 0.820 41 L CB 0.983 43.030 42.059 -0.021 0.000 1.135 41 L HN 0.095 nan 8.230 nan 0.000 0.445 42 P HA 0.120 nan 4.420 nan 0.000 0.274 42 P C 0.168 177.485 177.300 0.028 0.000 1.246 42 P CA -0.409 62.691 63.100 0.001 0.000 0.795 42 P CB 0.791 32.489 31.700 -0.002 0.000 1.006 43 A N 1.702 124.549 122.820 0.046 0.000 1.892 43 A HA -0.234 4.087 4.320 0.002 0.000 0.218 43 A C 2.175 179.823 177.584 0.106 0.000 1.188 43 A CA 2.659 54.734 52.037 0.062 0.000 0.631 43 A CB -1.829 17.203 19.000 0.054 0.000 0.822 43 A HN 0.578 nan 8.150 nan 0.000 0.447 44 A N -0.431 122.480 122.820 0.151 0.000 1.908 44 A HA 0.128 4.449 4.320 0.002 0.000 0.218 44 A C 2.523 180.335 177.584 0.381 0.000 1.181 44 A CA 2.331 54.526 52.037 0.263 0.000 0.627 44 A CB -1.040 18.169 19.000 0.350 0.000 0.818 44 A HN 1.164 nan 8.150 nan 0.000 0.445 45 A N -0.970 121.980 122.820 0.217 0.000 1.930 45 A HA -0.117 4.204 4.320 0.002 0.000 0.217 45 A C 2.241 179.918 177.584 0.155 0.000 1.175 45 A CA 1.391 53.476 52.037 0.081 0.000 0.627 45 A CB -0.450 18.398 19.000 -0.254 0.000 0.815 45 A HN 0.351 nan 8.150 nan 0.000 0.443 46 R N 0.216 120.774 120.500 0.095 0.000 2.091 46 R HA -0.131 4.210 4.340 0.002 0.000 0.238 46 R C 1.482 177.838 176.300 0.093 0.000 1.136 46 R CA 1.700 57.842 56.100 0.070 0.000 0.959 46 R CB -0.743 29.583 30.300 0.044 0.000 0.856 46 R HN 0.545 nan 8.270 nan 0.000 0.437 47 D N -0.156 120.327 120.400 0.138 0.000 2.117 47 D HA -0.174 4.467 4.640 0.002 0.000 0.197 47 D C 1.659 178.074 176.300 0.192 0.000 0.987 47 D CA 0.848 54.931 54.000 0.138 0.000 0.829 47 D CB -0.433 40.450 40.800 0.138 0.000 0.961 47 D HN 0.116 nan 8.370 nan 0.000 0.460 48 F N 1.778 121.801 119.950 0.122 0.000 2.095 48 F HA -0.209 4.319 4.527 0.001 0.000 0.298 48 F C 2.160 178.014 175.800 0.091 0.000 1.104 48 F CA 0.957 59.035 58.000 0.129 0.000 1.232 48 F CB -0.614 38.537 39.000 0.252 0.000 0.987 48 F HN -0.208 nan 8.300 nan 0.000 0.475 49 V N 0.687 120.513 119.914 -0.147 0.000 2.287 49 V HA -0.271 3.850 4.120 0.002 0.000 0.248 49 V C 2.539 178.532 176.094 -0.168 0.000 1.053 49 V CA 2.197 64.341 62.300 -0.259 0.000 1.027 49 V CB -0.711 31.052 31.823 -0.100 0.000 0.646 49 V HN 0.258 nan 8.190 nan 0.000 0.447 50 E N -0.104 120.056 120.200 -0.066 0.000 2.085 50 E HA -0.255 4.096 4.350 0.002 0.000 0.194 50 E C 2.194 178.766 176.600 -0.046 0.000 0.994 50 E CA 1.488 57.863 56.400 -0.041 0.000 0.801 50 E CB -0.328 29.369 29.700 -0.004 0.000 0.743 50 E HN 0.744 nan 8.360 nan 0.000 0.453 51 E N 0.388 120.567 120.200 -0.034 0.000 2.058 51 E HA -0.202 4.149 4.350 0.002 0.000 0.194 51 E C 1.949 178.503 176.600 -0.076 0.000 0.997 51 E CA 1.257 57.643 56.400 -0.023 0.000 0.801 51 E CB -0.038 29.691 29.700 0.049 0.000 0.746 51 E HN 0.177 nan 8.360 nan 0.000 0.450 52 A N 0.472 123.182 122.820 -0.184 0.000 1.933 52 A HA -0.116 4.205 4.320 0.002 0.000 0.218 52 A C 2.394 179.920 177.584 -0.097 0.000 1.175 52 A CA 1.341 53.265 52.037 -0.187 0.000 0.628 52 A CB -0.535 18.247 19.000 -0.365 0.000 0.814 52 A HN 0.231 nan 8.150 nan 0.000 0.444 53 V N 0.024 119.880 119.914 -0.097 0.000 2.295 53 V HA -0.267 3.854 4.120 0.002 0.000 0.246 53 V C 2.620 178.695 176.094 -0.032 0.000 1.049 53 V CA 2.245 64.510 62.300 -0.058 0.000 1.024 53 V CB -0.798 30.990 31.823 -0.058 0.000 0.648 53 V HN 0.532 nan 8.190 nan 0.000 0.447 54 R N -0.652 119.830 120.500 -0.030 0.000 2.096 54 R HA -0.136 4.205 4.340 0.002 0.000 0.235 54 R C 2.189 178.485 176.300 -0.007 0.000 1.127 54 R CA 1.421 57.511 56.100 -0.016 0.000 0.968 54 R CB -0.435 29.857 30.300 -0.014 0.000 0.861 54 R HN 0.390 nan 8.270 nan 0.000 0.440 55 L N -0.003 121.216 121.223 -0.006 0.000 2.049 55 L HA -0.091 4.250 4.340 0.002 0.000 0.203 55 L C 1.888 178.791 176.870 0.054 0.000 1.074 55 L CA 1.751 56.601 54.840 0.016 0.000 0.749 55 L CB -0.376 41.683 42.059 -0.000 0.000 0.907 55 L HN 0.120 nan 8.230 nan 0.000 0.439 56 C N -0.304 119.034 119.300 0.063 0.000 2.533 56 C HA 0.215 4.676 4.460 0.002 0.000 0.272 56 C C 1.038 176.054 174.990 0.044 0.000 1.371 56 C CA -0.246 58.829 59.018 0.095 0.000 1.758 56 C CB -0.968 26.844 27.740 0.119 0.000 1.972 56 C HN 0.583 nan 8.230 nan 0.000 0.522 57 R N -0.610 119.900 120.500 0.016 0.000 3.209 57 R HA -0.131 4.210 4.340 0.002 0.000 0.252 57 R C -2.667 173.628 176.300 -0.009 0.000 0.958 57 R CA 0.229 56.329 56.100 0.000 0.000 0.651 57 R CB -2.037 28.265 30.300 0.004 0.000 1.142 57 R HN 0.445 nan 8.270 nan 0.000 0.441 58 P HA 0.011 nan 4.420 nan 0.000 0.274 58 P C 0.217 177.490 177.300 -0.044 0.000 1.246 58 P CA -0.276 62.802 63.100 -0.037 0.000 0.795 58 P CB 0.662 32.329 31.700 -0.055 0.000 1.006 59 R N 0.436 120.905 120.500 -0.052 0.000 2.075 59 R HA -0.068 4.273 4.340 0.002 0.000 0.232 59 R C 0.878 177.142 176.300 -0.061 0.000 1.126 59 R CA 1.375 57.445 56.100 -0.050 0.000 0.963 59 R CB 0.277 30.548 30.300 -0.049 0.000 0.858 59 R HN 0.703 nan 8.270 nan 0.000 0.435 60 E N -1.628 118.520 120.200 -0.088 0.000 2.445 60 E HA 0.341 4.692 4.350 0.002 0.000 0.279 60 E C -1.552 174.968 176.600 -0.133 0.000 1.018 60 E CA -1.029 55.312 56.400 -0.097 0.000 0.816 60 E CB 1.983 31.624 29.700 -0.098 0.000 1.356 60 E HN -0.146 nan 8.360 nan 0.000 0.462 61 V N 1.671 121.514 119.914 -0.118 0.000 2.487 61 V HA 0.425 4.546 4.120 0.002 0.000 0.298 61 V C -0.635 175.385 176.094 -0.122 0.000 1.028 61 V CA -0.653 61.571 62.300 -0.126 0.000 0.860 61 V CB 1.181 32.954 31.823 -0.082 0.000 0.991 61 V HN 0.535 nan 8.190 nan 0.000 0.427 62 L N 5.348 126.477 121.223 -0.157 0.000 2.356 62 L HA 0.557 4.898 4.340 0.002 0.000 0.277 62 L C -0.732 176.137 176.870 -0.002 0.000 0.996 62 L CA -0.726 54.057 54.840 -0.094 0.000 0.822 62 L CB 1.924 43.891 42.059 -0.154 0.000 1.256 62 L HN 0.465 nan 8.230 nan 0.000 0.413 63 L N 3.496 124.730 121.223 0.018 0.000 2.290 63 L HA 0.387 4.728 4.340 0.002 0.000 0.284 63 L C -0.324 176.586 176.870 0.067 0.000 1.078 63 L CA 0.190 55.055 54.840 0.041 0.000 0.815 63 L CB 0.837 42.907 42.059 0.020 0.000 1.162 63 L HN 0.643 nan 8.230 nan 0.000 0.435 64 C N 4.162 123.515 119.300 0.088 0.000 2.452 64 C HA 0.372 4.833 4.460 0.002 0.000 0.379 64 C C 1.109 176.128 174.990 0.048 0.000 1.275 64 C CA -0.348 58.717 59.018 0.078 0.000 2.056 64 C CB 0.459 28.247 27.740 0.081 0.000 2.506 64 C HN 0.915 nan 8.230 nan 0.000 0.560 65 D N -0.240 120.181 120.400 0.034 0.000 2.433 65 D HA 0.175 4.816 4.640 0.002 0.000 0.211 65 D C 1.381 177.691 176.300 0.016 0.000 1.114 65 D CA 0.591 54.605 54.000 0.023 0.000 0.837 65 D CB -0.239 40.572 40.800 0.018 0.000 0.984 65 D HN 0.945 nan 8.370 nan 0.000 0.505 66 G N 0.756 109.564 108.800 0.012 0.000 2.168 66 G HA2 -0.307 3.654 3.960 0.002 0.000 0.263 66 G HA3 -0.307 3.654 3.960 0.002 0.000 0.263 66 G C 0.461 175.361 174.900 -0.001 0.000 0.977 66 G CA 0.689 45.791 45.100 0.003 0.000 0.659 66 G HN 0.872 nan 8.290 nan 0.000 0.533 67 S N -0.764 114.937 115.700 0.002 0.000 2.593 67 S HA 0.480 4.951 4.470 0.002 0.000 0.269 67 S C 1.185 175.785 174.600 0.001 0.000 1.334 67 S CA 0.608 58.811 58.200 0.004 0.000 1.015 67 S CB 1.915 65.120 63.200 0.007 0.000 0.912 67 S HN 0.486 nan 8.310 nan 0.000 0.541 68 E N 0.704 120.908 120.200 0.007 0.000 2.058 68 E HA -0.262 4.089 4.350 0.002 0.000 0.194 68 E C 1.934 178.539 176.600 0.008 0.000 0.997 68 E CA 1.611 58.017 56.400 0.010 0.000 0.801 68 E CB -0.233 29.478 29.700 0.019 0.000 0.746 68 E HN 0.903 nan 8.360 nan 0.000 0.450 69 E N 0.405 120.611 120.200 0.010 0.000 2.110 69 E HA -0.278 4.073 4.350 0.002 0.000 0.193 69 E C 2.038 178.640 176.600 0.002 0.000 0.988 69 E CA 1.429 57.835 56.400 0.010 0.000 0.804 69 E CB -0.068 29.639 29.700 0.012 0.000 0.745 69 E HN 0.352 nan 8.360 nan 0.000 0.458 70 E N -0.408 119.792 120.200 -0.001 0.000 2.051 70 E HA -0.162 4.189 4.350 0.002 0.000 0.192 70 E C 2.066 178.646 176.600 -0.034 0.000 0.991 70 E CA 1.259 57.654 56.400 -0.008 0.000 0.799 70 E CB -0.419 29.280 29.700 -0.001 0.000 0.748 70 E HN 0.360 nan 8.360 nan 0.000 0.449 71 G N 1.166 109.943 108.800 -0.039 0.000 2.476 71 G HA2 -0.329 3.632 3.960 0.002 0.000 0.218 71 G HA3 -0.329 3.632 3.960 0.002 0.000 0.218 71 G C 1.550 176.401 174.900 -0.081 0.000 1.164 71 G CA 1.231 46.291 45.100 -0.067 0.000 0.768 71 G HN 0.230 nan 8.290 nan 0.000 0.560 72 K N 0.040 120.416 120.400 -0.041 0.000 2.063 72 K HA -0.104 4.217 4.320 0.002 0.000 0.208 72 K C 2.411 178.978 176.600 -0.055 0.000 1.048 72 K CA 1.421 57.689 56.287 -0.033 0.000 0.928 72 K CB -0.098 32.408 32.500 0.011 0.000 0.713 72 K HN 0.326 nan 8.250 nan 0.000 0.442 73 E N 1.269 121.445 120.200 -0.040 0.000 2.106 73 E HA -0.123 4.228 4.350 0.002 0.000 0.192 73 E C 1.738 178.299 176.600 -0.066 0.000 0.984 73 E CA 1.109 57.489 56.400 -0.033 0.000 0.806 73 E CB -0.181 29.517 29.700 -0.003 0.000 0.750 73 E HN 0.211 nan 8.360 nan 0.000 0.458 74 L N -0.085 121.079 121.223 -0.099 0.000 2.017 74 L HA -0.158 4.183 4.340 0.002 0.000 0.208 74 L C 2.575 179.319 176.870 -0.210 0.000 1.073 74 L CA 1.039 55.790 54.840 -0.148 0.000 0.745 74 L CB -0.479 41.467 42.059 -0.188 0.000 0.894 74 L HN 0.199 nan 8.230 nan 0.000 0.432 75 L N -0.621 120.428 121.223 -0.289 0.000 2.042 75 L HA -0.250 4.091 4.340 0.002 0.000 0.210 75 L C 2.892 179.531 176.870 -0.385 0.000 1.076 75 L CA 1.277 55.809 54.840 -0.515 0.000 0.749 75 L CB -0.554 41.090 42.059 -0.691 0.000 0.893 75 L HN 0.271 nan 8.230 nan 0.000 0.432 76 R N 0.249 120.630 120.500 -0.199 0.000 2.080 76 R HA -0.162 4.179 4.340 0.002 0.000 0.236 76 R C 2.241 178.501 176.300 -0.067 0.000 1.137 76 R CA 1.754 57.801 56.100 -0.088 0.000 0.943 76 R CB -0.617 29.666 30.300 -0.029 0.000 0.846 76 R HN 0.411 nan 8.270 nan 0.000 0.431 77 G N 1.032 109.794 108.800 -0.063 0.000 2.418 77 G HA2 -0.231 3.730 3.960 0.002 0.000 0.217 77 G HA3 -0.231 3.730 3.960 0.002 0.000 0.217 77 G C 1.542 176.419 174.900 -0.038 0.000 1.158 77 G CA 0.591 45.673 45.100 -0.030 0.000 0.771 77 G HN 0.253 nan 8.290 nan 0.000 0.545 78 L N -0.271 120.904 121.223 -0.080 0.000 2.093 78 L HA -0.078 4.263 4.340 0.002 0.000 0.208 78 L C 2.985 179.827 176.870 -0.047 0.000 1.085 78 L CA 1.415 56.219 54.840 -0.059 0.000 0.755 78 L CB -0.345 41.661 42.059 -0.088 0.000 0.904 78 L HN 0.315 nan 8.230 nan 0.000 0.435 79 Q N 0.056 119.811 119.800 -0.075 0.000 2.084 79 Q HA -0.277 4.064 4.340 0.002 0.000 0.202 79 Q C 1.747 177.753 176.000 0.010 0.000 0.978 79 Q CA 2.145 57.947 55.803 -0.002 0.000 0.844 79 Q CB 0.036 28.823 28.738 0.080 0.000 0.898 79 Q HN 0.411 nan 8.270 nan 0.000 0.426 80 D N 0.059 120.464 120.400 0.008 0.000 2.144 80 D HA -0.156 4.485 4.640 0.002 0.000 0.199 80 D C 1.116 177.428 176.300 0.020 0.000 0.984 80 D CA 1.374 55.387 54.000 0.021 0.000 0.834 80 D CB 0.009 40.820 40.800 0.018 0.000 0.955 80 D HN 0.272 nan 8.370 nan 0.000 0.465 81 D N -0.942 119.466 120.400 0.012 0.000 2.310 81 D HA 0.034 4.675 4.640 0.002 0.000 0.212 81 D C 1.638 177.956 176.300 0.029 0.000 0.965 81 D CA 1.230 55.242 54.000 0.021 0.000 0.879 81 D CB 0.001 40.811 40.800 0.018 0.000 0.921 81 D HN 0.374 nan 8.370 nan 0.000 0.510 82 G N -0.187 108.616 108.800 0.006 0.000 2.143 82 G HA2 -0.316 3.645 3.960 0.002 0.000 0.249 82 G HA3 -0.316 3.645 3.960 0.002 0.000 0.249 82 G C 1.204 176.094 174.900 -0.017 0.000 0.981 82 G CA 0.476 45.570 45.100 -0.010 0.000 0.665 82 G HN 0.323 nan 8.290 nan 0.000 0.528 83 V N 0.040 119.968 119.914 0.023 0.000 2.346 83 V HA 0.267 4.388 4.120 0.002 0.000 0.244 83 V C 1.658 177.818 176.094 0.111 0.000 1.037 83 V CA 1.596 63.980 62.300 0.139 0.000 1.029 83 V CB -0.120 31.815 31.823 0.186 0.000 0.663 83 V HN 0.384 nan 8.190 nan 0.000 0.454 84 L N -0.138 121.097 121.223 0.019 0.000 2.325 84 L HA 0.513 4.854 4.340 0.002 0.000 0.278 84 L C -0.870 175.992 176.870 -0.012 0.000 1.023 84 L CA -0.518 54.404 54.840 0.136 0.000 0.811 84 L CB 1.399 43.567 42.059 0.181 0.000 1.249 84 L HN 0.322 nan 8.230 nan 0.000 0.431 85 H N 2.159 121.489 119.070 0.433 0.000 2.489 85 H HA 0.372 4.929 4.556 0.002 0.000 0.343 85 H C -2.376 173.138 175.328 0.310 0.000 1.086 85 H CA -1.819 54.435 56.048 0.342 0.000 1.198 85 H CB 1.421 31.314 29.762 0.218 0.000 1.490 85 H HN 0.336 nan 8.280 nan 0.000 0.504 86 P HA 0.063 nan 4.420 nan 0.000 0.272 86 P C -0.590 176.592 177.300 -0.197 0.000 1.223 86 P CA -0.304 62.546 63.100 -0.417 0.000 0.784 86 P CB 1.328 32.734 31.700 -0.489 0.000 0.923 87 L N 4.447 125.504 121.223 -0.277 0.000 2.435 87 L HA 0.283 4.624 4.340 0.002 0.000 0.253 87 L C -1.361 175.367 176.870 -0.237 0.000 1.087 87 L CA -1.652 53.104 54.840 -0.140 0.000 0.950 87 L CB 1.485 43.593 42.059 0.083 0.000 1.304 87 L HN 0.221 nan 8.230 nan 0.000 0.453 88 P HA -0.141 nan 4.420 nan 0.000 0.234 88 P C 1.248 178.396 177.300 -0.254 0.000 1.167 88 P CA 0.704 63.675 63.100 -0.215 0.000 0.763 88 P CB 0.396 32.000 31.700 -0.159 0.000 0.835 89 K N -0.720 119.415 120.400 -0.441 0.000 2.211 89 K HA -0.077 4.244 4.320 0.002 0.000 0.203 89 K C 0.487 176.796 176.600 -0.486 0.000 1.050 89 K CA 1.022 56.962 56.287 -0.577 0.000 0.945 89 K CB -0.316 31.621 32.500 -0.939 0.000 0.732 89 K HN 0.087 nan 8.250 nan 0.000 0.451 90 Y N -0.766 119.507 120.300 -0.046 0.000 2.699 90 Y HA 0.324 4.875 4.550 0.001 0.000 0.326 90 Y C -0.402 175.482 175.900 -0.026 0.000 1.141 90 Y CA -2.303 55.788 58.100 -0.015 0.000 1.246 90 Y CB 0.200 38.679 38.460 0.032 0.000 1.426 90 Y HN -0.174 nan 8.280 nan 0.000 0.559 91 D N 1.084 121.602 120.400 0.197 0.000 2.428 91 D HA 0.118 4.759 4.640 0.002 0.000 0.221 91 D C -0.344 176.022 176.300 0.110 0.000 1.123 91 D CA -0.108 53.956 54.000 0.107 0.000 0.869 91 D CB -0.394 40.463 40.800 0.095 0.000 1.032 91 D HN 0.599 nan 8.370 nan 0.000 0.506 92 N N 2.615 121.352 118.700 0.061 0.000 2.727 92 N HA -0.203 4.538 4.740 0.002 0.000 0.251 92 N C -1.571 174.027 175.510 0.146 0.000 1.040 92 N CA 0.448 53.571 53.050 0.122 0.000 0.712 92 N CB -1.494 37.132 38.487 0.232 0.000 0.912 92 N HN 0.312 nan 8.380 nan 0.000 0.545 93 C N 0.176 119.448 119.300 -0.047 0.000 2.454 93 C HA 0.813 5.273 4.460 0.002 0.000 0.336 93 C C -0.142 174.758 174.990 -0.150 0.000 1.189 93 C CA -0.535 58.574 59.018 0.152 0.000 1.877 93 C CB 0.514 28.497 27.740 0.406 0.000 2.348 93 C HN 0.529 nan 8.230 nan 0.000 0.508 94 W N 1.673 123.178 121.300 0.341 0.000 3.107 94 W HA 0.685 5.346 4.660 0.001 0.000 0.331 94 W C -0.881 175.883 176.519 0.409 0.000 1.204 94 W CA -0.677 56.855 57.345 0.311 0.000 1.184 94 W CB 1.073 30.660 29.460 0.211 0.000 1.421 94 W HN 0.416 nan 8.180 nan 0.000 0.544 95 L N 2.498 124.091 121.223 0.616 0.000 2.381 95 L HA 0.949 5.290 4.340 0.002 0.000 0.274 95 L C -0.764 176.435 176.870 0.548 0.000 0.988 95 L CA -0.685 54.484 54.840 0.548 0.000 0.824 95 L CB 1.300 43.611 42.059 0.421 0.000 1.263 95 L HN 0.517 nan 8.230 nan 0.000 0.410 96 A N 5.184 128.292 122.820 0.480 0.000 2.337 96 A HA 0.880 5.201 4.320 0.002 0.000 0.329 96 A C -0.625 177.129 177.584 0.283 0.000 1.146 96 A CA -0.745 51.541 52.037 0.414 0.000 0.800 96 A CB 0.945 20.209 19.000 0.439 0.000 1.220 96 A HN 0.769 nan 8.150 nan 0.000 0.472 97 R N 0.917 121.560 120.500 0.237 0.000 2.494 97 R HA 0.556 4.897 4.340 0.002 0.000 0.305 97 R C -0.172 176.074 176.300 -0.089 0.000 0.959 97 R CA -0.377 55.802 56.100 0.132 0.000 0.864 97 R CB 1.945 32.344 30.300 0.164 0.000 1.159 97 R HN 0.875 nan 8.270 nan 0.000 0.446 98 T N -1.820 112.543 114.554 -0.319 0.000 2.936 98 T HA 0.132 4.483 4.350 0.002 0.000 0.282 98 T C 0.201 174.696 174.700 -0.341 0.000 1.003 98 T CA -0.942 60.622 62.100 -0.893 0.000 1.005 98 T CB 1.405 69.364 68.868 -1.515 0.000 1.097 98 T HN 0.399 nan 8.240 nan 0.000 0.532 99 D N 1.609 121.842 120.400 -0.279 0.000 2.531 99 D HA 0.084 4.725 4.640 0.002 0.000 0.239 99 D C -1.500 174.789 176.300 -0.019 0.000 1.144 99 D CA -1.604 52.399 54.000 0.004 0.000 0.869 99 D CB 1.218 42.147 40.800 0.216 0.000 1.160 99 D HN 0.247 nan 8.370 nan 0.000 0.484 100 P HA -0.046 nan 4.420 nan 0.000 0.228 100 P C 0.839 178.188 177.300 0.081 0.000 1.151 100 P CA 0.820 64.010 63.100 0.151 0.000 0.770 100 P CB 0.195 31.942 31.700 0.078 0.000 0.786 101 R N -1.063 119.467 120.500 0.050 0.000 2.275 101 R HA 0.037 4.378 4.340 0.002 0.000 0.199 101 R C 0.304 176.618 176.300 0.023 0.000 0.989 101 R CA 0.529 56.655 56.100 0.045 0.000 1.016 101 R CB -0.143 30.196 30.300 0.064 0.000 0.918 101 R HN 0.091 nan 8.270 nan 0.000 0.473 102 D N 0.365 120.763 120.400 -0.004 0.000 2.441 102 D HA 0.079 4.720 4.640 0.002 0.000 0.287 102 D C 0.325 176.462 176.300 -0.273 0.000 1.198 102 D CA -0.299 53.704 54.000 0.006 0.000 0.894 102 D CB 1.182 42.153 40.800 0.286 0.000 1.070 102 D HN -0.028 nan 8.370 nan 0.000 0.499 103 V N 0.120 119.709 119.914 -0.541 0.000 3.382 103 V HA 0.837 4.958 4.120 0.002 0.000 0.296 103 V C 0.364 175.596 176.094 -1.436 0.000 1.529 103 V CA 0.327 61.943 62.300 -1.140 0.000 1.048 103 V CB -0.078 31.102 31.823 -1.072 0.000 0.878 103 V HN 0.399 nan 8.190 nan 0.000 0.442 104 A N 0.018 122.361 122.820 -0.796 0.000 2.601 104 A HA 0.705 5.026 4.320 0.002 0.000 0.291 104 A C -0.458 177.142 177.584 0.026 0.000 1.075 104 A CA -0.996 50.859 52.037 -0.303 0.000 0.671 104 A CB 1.025 19.942 19.000 -0.139 0.000 1.277 104 A HN 0.227 nan 8.150 nan 0.000 0.417 105 R N -0.124 120.484 120.500 0.179 0.000 2.566 105 R HA 0.221 4.562 4.340 0.002 0.000 0.273 105 R C -0.793 175.577 176.300 0.116 0.000 0.981 105 R CA 0.405 56.617 56.100 0.187 0.000 1.091 105 R CB 0.121 30.546 30.300 0.207 0.000 0.924 105 R HN 0.391 nan 8.270 nan 0.000 0.411 106 V N 4.459 124.447 119.914 0.124 0.000 2.275 106 V HA 0.052 4.173 4.120 0.002 0.000 0.272 106 V C 0.928 177.077 176.094 0.092 0.000 1.028 106 V CA -0.209 62.147 62.300 0.094 0.000 0.810 106 V CB 1.026 32.909 31.823 0.099 0.000 1.043 106 V HN 0.825 nan 8.190 nan 0.000 0.453 107 E N 2.238 122.473 120.200 0.059 0.000 2.077 107 E HA -0.198 4.153 4.350 0.002 0.000 0.193 107 E C 2.188 178.819 176.600 0.052 0.000 0.989 107 E CA 1.600 58.022 56.400 0.038 0.000 0.800 107 E CB 0.014 29.710 29.700 -0.007 0.000 0.746 107 E HN 0.855 nan 8.360 nan 0.000 0.452 108 S N 1.005 116.736 115.700 0.052 0.000 2.419 108 S HA -0.147 4.324 4.470 0.002 0.000 0.235 108 S C 1.571 176.214 174.600 0.072 0.000 1.019 108 S CA 1.078 59.311 58.200 0.055 0.000 0.982 108 S CB -0.129 63.100 63.200 0.049 0.000 0.789 108 S HN 0.108 nan 8.310 nan 0.000 0.490 109 K N 1.105 121.559 120.400 0.090 0.000 2.440 109 K HA 0.227 4.548 4.320 0.002 0.000 0.206 109 K C -0.594 176.091 176.600 0.141 0.000 1.025 109 K CA -0.030 56.323 56.287 0.110 0.000 1.135 109 K CB 0.769 33.339 32.500 0.118 0.000 0.856 109 K HN 0.217 nan 8.250 nan 0.000 0.502 110 T N 1.754 116.392 114.554 0.140 0.000 2.758 110 T HA 0.361 4.712 4.350 0.002 0.000 0.285 110 T C -0.389 174.415 174.700 0.173 0.000 0.981 110 T CA -0.694 61.521 62.100 0.192 0.000 0.965 110 T CB 1.385 70.366 68.868 0.189 0.000 0.927 110 T HN 0.012 nan 8.240 nan 0.000 0.448 111 V N 1.797 121.842 119.914 0.219 0.000 3.040 111 V HA 0.750 4.871 4.120 0.002 0.000 0.312 111 V C -1.121 175.087 176.094 0.190 0.000 1.115 111 V CA -1.358 61.032 62.300 0.149 0.000 0.998 111 V CB 1.828 33.694 31.823 0.071 0.000 1.042 111 V HN 0.750 nan 8.190 nan 0.000 0.433 112 L N 2.838 124.129 121.223 0.113 0.000 2.305 112 L HA 0.653 4.994 4.340 0.002 0.000 0.284 112 L C -0.719 176.166 176.870 0.025 0.000 1.013 112 L CA -0.804 54.103 54.840 0.112 0.000 0.819 112 L CB 1.823 43.973 42.059 0.152 0.000 1.227 112 L HN 0.534 nan 8.230 nan 0.000 0.417 113 V N 2.297 122.165 119.914 -0.077 0.000 2.318 113 V HA 0.485 4.606 4.120 0.002 0.000 0.271 113 V C 0.259 176.339 176.094 -0.023 0.000 1.030 113 V CA -0.293 61.894 62.300 -0.189 0.000 0.844 113 V CB 1.125 32.664 31.823 -0.473 0.000 1.015 113 V HN 0.908 nan 8.190 nan 0.000 0.460 114 T N 2.474 117.129 114.554 0.169 0.000 2.909 114 T HA 0.499 4.850 4.350 0.002 0.000 0.299 114 T C -2.324 172.598 174.700 0.370 0.000 1.073 114 T CA -2.015 60.234 62.100 0.249 0.000 0.999 114 T CB 2.507 71.539 68.868 0.274 0.000 1.098 114 T HN 0.225 nan 8.240 nan 0.000 0.477 115 P HA -0.017 nan 4.420 nan 0.000 0.216 115 P C 0.164 177.612 177.300 0.247 0.000 1.150 115 P CA 1.233 64.458 63.100 0.208 0.000 0.843 115 P CB 0.195 31.958 31.700 0.105 0.000 0.787 116 E N -1.063 119.223 120.200 0.143 0.000 2.187 116 E HA 0.097 4.447 4.350 0.002 0.000 0.268 116 E C 0.566 176.950 176.600 -0.360 0.000 0.896 116 E CA -0.434 55.924 56.400 -0.071 0.000 0.766 116 E CB 1.475 31.127 29.700 -0.081 0.000 1.142 116 E HN 0.081 nan 8.360 nan 0.000 0.408 117 Q N 2.091 121.291 119.800 -0.999 0.000 2.135 117 Q HA -0.191 4.150 4.340 0.002 0.000 0.204 117 Q C 1.545 177.128 176.000 -0.694 0.000 0.981 117 Q CA 2.329 57.139 55.803 -1.655 0.000 0.856 117 Q CB 0.120 27.871 28.738 -1.646 0.000 0.902 117 Q HN 0.547 nan 8.270 nan 0.000 0.425 118 S N -0.050 115.396 115.700 -0.423 0.000 2.447 118 S HA -0.141 4.330 4.470 0.002 0.000 0.233 118 S C 1.167 175.683 174.600 -0.139 0.000 1.006 118 S CA 1.172 59.230 58.200 -0.237 0.000 0.957 118 S CB -0.148 62.947 63.200 -0.174 0.000 0.773 118 S HN 0.396 nan 8.310 nan 0.000 0.507 119 D N 2.092 122.427 120.400 -0.108 0.000 2.224 119 D HA 0.140 4.781 4.640 0.002 0.000 0.205 119 D C 2.064 178.394 176.300 0.050 0.000 0.965 119 D CA 1.267 55.264 54.000 -0.005 0.000 0.852 119 D CB -0.318 40.493 40.800 0.019 0.000 0.947 119 D HN 0.606 nan 8.370 nan 0.000 0.494 120 A N 0.350 123.181 122.820 0.018 0.000 1.924 120 A HA 0.234 4.555 4.320 0.002 0.000 0.211 120 A C 1.057 178.633 177.584 -0.014 0.000 1.198 120 A CA 0.750 52.838 52.037 0.086 0.000 0.657 120 A CB 0.252 19.404 19.000 0.253 0.000 0.852 120 A HN 0.129 nan 8.150 nan 0.000 0.454 121 V N -5.257 114.596 119.914 -0.102 0.000 3.147 121 V HA 0.611 4.732 4.120 0.002 0.000 0.306 121 V C -3.431 172.534 176.094 -0.216 0.000 1.209 121 V CA -2.692 59.508 62.300 -0.166 0.000 1.023 121 V CB 1.495 33.256 31.823 -0.103 0.000 1.059 121 V HN 0.044 nan 8.190 nan 0.000 0.435 122 P HA 0.414 nan 4.420 nan 0.000 0.274 122 P C -2.827 174.350 177.300 -0.206 0.000 1.260 122 P CA -1.352 61.595 63.100 -0.255 0.000 0.793 122 P CB -0.574 30.900 31.700 -0.377 0.000 1.048 123 P HA 0.095 nan 4.420 nan 0.000 0.266 123 P C -2.176 175.050 177.300 -0.125 0.000 1.195 123 P CA -0.667 62.352 63.100 -0.134 0.000 0.768 123 P CB -1.198 30.441 31.700 -0.102 0.000 0.838 124 P HA 0.132 nan 4.420 nan 0.000 0.268 124 P C -2.491 174.771 177.300 -0.064 0.000 1.205 124 P CA -1.405 61.653 63.100 -0.069 0.000 0.771 124 P CB -0.802 30.878 31.700 -0.034 0.000 0.858 125 P HA 0.026 nan 4.420 nan 0.000 0.260 125 P C -1.815 175.465 177.300 -0.034 0.000 1.185 125 P CA -0.610 62.459 63.100 -0.053 0.000 0.763 125 P CB -0.629 31.046 31.700 -0.041 0.000 0.776 126 P HA -0.149 nan 4.420 nan 0.000 0.217 126 P C 1.056 178.348 177.300 -0.014 0.000 1.148 126 P CA 1.539 64.626 63.100 -0.022 0.000 0.828 126 P CB -0.039 31.648 31.700 -0.021 0.000 0.783 127 S N -2.045 113.648 115.700 -0.011 0.000 2.607 127 S HA 0.205 4.675 4.470 0.002 0.000 0.224 127 S C 1.621 176.219 174.600 -0.002 0.000 0.969 127 S CA 0.943 59.141 58.200 -0.005 0.000 0.927 127 S CB -0.729 62.470 63.200 -0.002 0.000 0.772 127 S HN 0.370 nan 8.310 nan 0.000 0.533 128 G N 0.847 109.644 108.800 -0.005 0.000 2.176 128 G HA2 -0.160 3.801 3.960 0.002 0.000 0.232 128 G HA3 -0.160 3.801 3.960 0.002 0.000 0.232 128 G C 0.346 175.247 174.900 0.003 0.000 0.986 128 G CA -0.341 44.758 45.100 -0.000 0.000 0.643 128 G HN 0.797 nan 8.290 nan 0.000 0.522 129 G N 1.002 109.803 108.800 0.001 0.000 2.554 129 G HA2 0.491 4.452 3.960 0.002 0.000 0.238 129 G HA3 0.491 4.452 3.960 0.002 0.000 0.238 129 G C -1.300 173.603 174.900 0.005 0.000 1.259 129 G CA 0.051 45.155 45.100 0.006 0.000 0.843 129 G HN 0.324 nan 8.290 nan 0.000 0.582 130 P HA 0.209 nan 4.420 nan 0.000 0.271 130 P C -2.536 174.768 177.300 0.006 0.000 1.216 130 P CA -1.139 61.969 63.100 0.014 0.000 0.776 130 P CB 0.353 32.065 31.700 0.020 0.000 0.881 131 P HA 0.084 nan 4.420 nan 0.000 0.268 131 P C 0.292 177.587 177.300 -0.009 0.000 1.205 131 P CA 0.188 63.275 63.100 -0.020 0.000 0.771 131 P CB 0.244 31.937 31.700 -0.012 0.000 0.858 132 Q N 1.612 121.400 119.800 -0.020 0.000 2.171 132 Q HA 0.250 4.591 4.340 0.002 0.000 0.218 132 Q C 0.264 176.280 176.000 0.027 0.000 0.822 132 Q CA 0.023 55.837 55.803 0.020 0.000 0.987 132 Q CB -0.004 28.777 28.738 0.071 0.000 1.144 132 Q HN 0.338 nan 8.270 nan 0.000 0.494 133 L N 0.682 121.884 121.223 -0.036 0.000 3.014 133 L HA 0.586 4.927 4.340 0.002 0.000 0.263 133 L C 0.286 177.170 176.870 0.022 0.000 1.207 133 L CA -0.033 54.796 54.840 -0.019 0.000 1.017 133 L CB 1.069 42.938 42.059 -0.317 0.000 1.360 133 L HN 0.380 nan 8.230 nan 0.000 0.560 134 G N 0.111 108.925 108.800 0.022 0.000 2.335 134 G HA2 -0.092 3.869 3.960 0.002 0.000 0.592 134 G HA3 -0.092 3.869 3.960 0.002 0.000 0.592 134 G C -1.544 173.388 174.900 0.054 0.000 1.442 134 G CA -0.982 44.143 45.100 0.042 0.000 0.976 134 G HN 0.186 nan 8.290 nan 0.000 0.652 135 N N 0.056 118.805 118.700 0.082 0.000 2.476 135 N HA 0.466 5.207 4.740 0.002 0.000 0.257 135 N C -0.599 175.010 175.510 0.164 0.000 0.970 135 N CA -0.512 52.604 53.050 0.110 0.000 0.938 135 N CB 1.668 40.205 38.487 0.083 0.000 1.144 135 N HN 0.648 nan 8.380 nan 0.000 0.500 136 W N 4.793 126.098 121.300 0.008 0.000 2.272 136 W HA 0.412 5.072 4.660 0.001 0.000 0.318 136 W C -0.666 175.871 176.519 0.029 0.000 1.255 136 W CA -0.632 56.721 57.345 0.012 0.000 1.200 136 W CB 0.625 30.083 29.460 -0.003 0.000 1.170 136 W HN 0.316 nan 8.180 nan 0.000 0.549 137 M N 6.438 125.586 119.600 -0.752 0.000 2.327 137 M HA 0.333 4.814 4.480 0.002 0.000 0.298 137 M C -0.217 175.331 176.300 -1.253 0.000 1.065 137 M CA -0.557 54.257 55.300 -0.809 0.000 0.916 137 M CB 1.555 33.978 32.600 -0.296 0.000 1.630 137 M HN 0.525 nan 8.290 nan 0.000 0.442 138 S N 4.125 119.101 115.700 -1.207 0.000 2.585 138 S HA 0.370 4.841 4.470 0.002 0.000 0.273 138 S C -2.280 172.174 174.600 -0.243 0.000 1.339 138 S CA -0.862 56.887 58.200 -0.752 0.000 1.028 138 S CB 0.474 63.428 63.200 -0.409 0.000 0.906 138 S HN 0.620 nan 8.310 nan 0.000 0.528 139 P HA -0.113 nan 4.420 nan 0.000 0.216 139 P C 0.961 178.309 177.300 0.081 0.000 1.153 139 P CA 1.282 64.420 63.100 0.063 0.000 0.858 139 P CB -0.065 31.680 31.700 0.076 0.000 0.789 140 N N -0.794 117.922 118.700 0.026 0.000 2.142 140 N HA -0.090 4.651 4.740 0.002 0.000 0.186 140 N C 1.718 177.218 175.510 -0.016 0.000 1.023 140 N CA 1.514 54.569 53.050 0.008 0.000 0.852 140 N CB -1.121 37.371 38.487 0.008 0.000 0.998 140 N HN 0.043 nan 8.380 nan 0.000 0.424 141 A N 0.294 123.091 122.820 -0.039 0.000 1.902 141 A HA -0.115 4.206 4.320 0.002 0.000 0.217 141 A C 2.097 179.677 177.584 -0.007 0.000 1.181 141 A CA 0.942 52.950 52.037 -0.049 0.000 0.623 141 A CB -0.923 18.014 19.000 -0.105 0.000 0.818 141 A HN 0.310 nan 8.150 nan 0.000 0.443 142 F N 0.680 120.557 119.950 -0.122 0.000 2.102 142 F HA -0.189 4.339 4.527 0.001 0.000 0.298 142 F C 2.379 178.144 175.800 -0.058 0.000 1.105 142 F CA 2.119 60.067 58.000 -0.088 0.000 1.239 142 F CB -0.270 38.674 39.000 -0.094 0.000 0.991 142 F HN 0.188 nan 8.300 nan 0.000 0.474 143 Q N 0.664 120.321 119.800 -0.239 0.000 2.124 143 Q HA -0.120 4.221 4.340 0.002 0.000 0.202 143 Q C 2.515 178.366 176.000 -0.248 0.000 0.977 143 Q CA 1.499 57.114 55.803 -0.313 0.000 0.850 143 Q CB -1.175 27.490 28.738 -0.122 0.000 0.901 143 Q HN 0.561 nan 8.270 nan 0.000 0.429 144 A N 0.903 123.628 122.820 -0.159 0.000 1.898 144 A HA -0.045 4.276 4.320 0.002 0.000 0.216 144 A C 2.314 179.810 177.584 -0.146 0.000 1.181 144 A CA 1.809 53.773 52.037 -0.122 0.000 0.620 144 A CB -0.591 18.363 19.000 -0.077 0.000 0.819 144 A HN 0.354 nan 8.150 nan 0.000 0.442 145 A N -0.561 122.158 122.820 -0.168 0.000 1.873 145 A HA 0.037 4.358 4.320 0.002 0.000 0.215 145 A C 2.224 179.679 177.584 -0.215 0.000 1.186 145 A CA 1.659 53.600 52.037 -0.159 0.000 0.616 145 A CB -0.954 17.993 19.000 -0.088 0.000 0.823 145 A HN 0.357 nan 8.150 nan 0.000 0.442 146 V N 0.015 119.736 119.914 -0.321 0.000 2.287 146 V HA -0.286 3.834 4.120 0.002 0.000 0.248 146 V C 2.748 178.769 176.094 -0.123 0.000 1.053 146 V CA 2.148 64.311 62.300 -0.229 0.000 1.027 146 V CB -0.743 30.758 31.823 -0.536 0.000 0.646 146 V HN 0.541 nan 8.190 nan 0.000 0.447 147 Q N 0.109 119.811 119.800 -0.164 0.000 2.181 147 Q HA -0.221 4.120 4.340 0.002 0.000 0.205 147 Q C 2.256 178.193 176.000 -0.105 0.000 0.980 147 Q CA 1.930 57.667 55.803 -0.110 0.000 0.862 147 Q CB -0.236 28.440 28.738 -0.103 0.000 0.905 147 Q HN 0.938 nan 8.270 nan 0.000 0.429 148 E N -1.135 118.981 120.200 -0.141 0.000 2.435 148 E HA -0.062 4.289 4.350 0.002 0.000 0.195 148 E C 1.484 177.951 176.600 -0.223 0.000 1.029 148 E CA 0.263 56.576 56.400 -0.145 0.000 0.865 148 E CB 0.147 29.773 29.700 -0.123 0.000 0.833 148 E HN 0.173 nan 8.360 nan 0.000 0.510 149 R N -0.700 119.586 120.500 -0.356 0.000 2.119 149 R HA 0.227 4.568 4.340 0.002 0.000 0.202 149 R C 1.728 177.687 176.300 -0.568 0.000 1.114 149 R CA 0.463 56.084 56.100 -0.799 0.000 1.089 149 R CB -0.097 29.214 30.300 -1.649 0.000 1.000 149 R HN 0.059 nan 8.270 nan 0.000 0.487 150 F N 1.390 121.157 119.950 -0.305 0.000 2.335 150 F HA 0.132 4.660 4.527 0.002 0.000 0.296 150 F C -1.386 174.401 175.800 -0.021 0.000 1.091 150 F CA -0.475 57.487 58.000 -0.064 0.000 1.399 150 F CB -0.752 38.216 39.000 -0.052 0.000 1.067 150 F HN -0.209 nan 8.300 nan 0.000 0.520 151 P HA 0.060 nan 4.420 nan 0.000 0.258 151 P C 0.661 177.990 177.300 0.048 0.000 1.187 151 P CA 1.518 64.653 63.100 0.060 0.000 0.767 151 P CB 0.011 31.721 31.700 0.015 0.000 0.770 152 G N 3.126 111.957 108.800 0.052 0.000 2.155 152 G HA2 -0.391 3.570 3.960 0.002 0.000 0.257 152 G HA3 -0.391 3.570 3.960 0.002 0.000 0.257 152 G C 1.136 176.059 174.900 0.039 0.000 0.983 152 G CA 0.286 45.407 45.100 0.035 0.000 0.676 152 G HN 0.688 nan 8.290 nan 0.000 0.528 153 C N -1.424 117.918 119.300 0.070 0.000 2.432 153 C HA 0.438 4.899 4.460 0.002 0.000 0.282 153 C C 2.323 177.320 174.990 0.012 0.000 1.388 153 C CA 1.386 60.440 59.018 0.061 0.000 1.777 153 C CB -0.629 27.186 27.740 0.125 0.000 1.882 153 C HN 0.492 nan 8.230 nan 0.000 0.520 154 M N 1.265 120.879 119.600 0.022 0.000 2.419 154 M HA 0.308 4.789 4.480 0.002 0.000 0.252 154 M C 1.037 177.329 176.300 -0.013 0.000 1.143 154 M CA -0.038 55.260 55.300 -0.004 0.000 0.985 154 M CB 0.011 32.615 32.600 0.007 0.000 1.489 154 M HN 0.361 nan 8.290 nan 0.000 0.484 155 A N 0.820 123.636 122.820 -0.007 0.000 2.567 155 A HA 0.355 4.676 4.320 0.002 0.000 0.240 155 A C 1.458 179.031 177.584 -0.018 0.000 1.053 155 A CA 1.119 53.149 52.037 -0.011 0.000 0.755 155 A CB -0.568 18.429 19.000 -0.006 0.000 0.978 155 A HN 0.885 nan 8.150 nan 0.000 0.507 156 G N 2.207 110.995 108.800 -0.021 0.000 2.179 156 G HA2 -0.242 3.719 3.960 0.002 0.000 0.260 156 G HA3 -0.242 3.719 3.960 0.002 0.000 0.260 156 G C 0.346 175.229 174.900 -0.028 0.000 0.977 156 G CA 0.699 45.786 45.100 -0.022 0.000 0.641 156 G HN 0.960 nan 8.290 nan 0.000 0.533 157 R N 0.771 121.250 120.500 -0.035 0.000 2.711 157 R HA 0.504 4.845 4.340 0.002 0.000 0.284 157 R C -2.657 173.595 176.300 -0.080 0.000 0.968 157 R CA -2.013 54.063 56.100 -0.041 0.000 0.924 157 R CB 2.260 32.543 30.300 -0.028 0.000 1.162 157 R HN 0.079 nan 8.270 nan 0.000 0.465 158 P HA 0.034 nan 4.420 nan 0.000 0.271 158 P C -0.769 176.338 177.300 -0.322 0.000 1.216 158 P CA -0.141 62.787 63.100 -0.286 0.000 0.771 158 P CB 0.825 32.242 31.700 -0.472 0.000 0.864 159 L N 4.669 125.724 121.223 -0.280 0.000 2.275 159 L HA 0.385 4.726 4.340 0.002 0.000 0.288 159 L C -0.847 175.862 176.870 -0.269 0.000 1.046 159 L CA -0.776 53.961 54.840 -0.171 0.000 0.805 159 L CB 0.186 42.193 42.059 -0.087 0.000 1.193 159 L HN 0.244 nan 8.230 nan 0.000 0.426 160 Y N 3.839 124.148 120.300 0.015 0.000 2.342 160 Y HA 0.467 5.017 4.550 0.001 0.000 0.334 160 Y C -0.039 175.881 175.900 0.035 0.000 1.067 160 Y CA -0.669 57.442 58.100 0.019 0.000 1.128 160 Y CB 1.835 40.306 38.460 0.019 0.000 1.200 160 Y HN 0.213 nan 8.280 nan 0.000 0.464 161 V N 5.750 125.766 119.914 0.169 0.000 2.347 161 V HA 0.351 4.472 4.120 0.002 0.000 0.280 161 V C -0.246 175.940 176.094 0.153 0.000 1.021 161 V CA -0.724 61.656 62.300 0.133 0.000 0.847 161 V CB 0.805 32.667 31.823 0.066 0.000 0.990 161 V HN 0.582 nan 8.190 nan 0.000 0.444 162 I N 7.417 128.104 120.570 0.194 0.000 2.428 162 I HA 0.357 4.528 4.170 0.002 0.000 0.279 162 I C -2.554 173.738 176.117 0.292 0.000 1.040 162 I CA -1.917 59.505 61.300 0.204 0.000 1.171 162 I CB 1.726 39.828 38.000 0.170 0.000 1.312 162 I HN 0.410 nan 8.210 nan 0.000 0.470 163 P HA 0.280 nan 4.420 nan 0.000 0.276 163 P C -0.946 176.482 177.300 0.213 0.000 1.230 163 P CA 0.003 63.166 63.100 0.105 0.000 0.776 163 P CB 0.420 32.117 31.700 -0.005 0.000 0.888 164 F N -0.745 119.231 119.950 0.043 0.000 2.645 164 F HA 0.755 5.283 4.527 0.002 0.000 0.310 164 F C -0.959 174.865 175.800 0.040 0.000 1.102 164 F CA -1.247 56.771 58.000 0.029 0.000 0.952 164 F CB 1.170 40.185 39.000 0.025 0.000 1.326 164 F HN 0.160 nan 8.300 nan 0.000 0.456 165 S N 2.530 118.308 115.700 0.130 0.000 2.482 165 S HA 0.686 5.157 4.470 0.002 0.000 0.303 165 S C -0.813 173.802 174.600 0.024 0.000 1.091 165 S CA -0.790 57.418 58.200 0.014 0.000 1.057 165 S CB 0.786 63.977 63.200 -0.015 0.000 1.031 165 S HN 0.606 nan 8.310 nan 0.000 0.485 166 M N 4.168 123.704 119.600 -0.106 0.000 2.069 166 M HA 0.458 4.939 4.480 0.002 0.000 0.349 166 M C 0.736 176.832 176.300 -0.341 0.000 1.194 166 M CA 0.134 55.236 55.300 -0.329 0.000 1.081 166 M CB -0.379 31.830 32.600 -0.652 0.000 1.500 166 M HN 1.029 nan 8.290 nan 0.000 0.438 167 G N 5.764 114.378 108.800 -0.310 0.000 2.662 167 G HA2 -0.054 3.907 3.960 0.002 0.000 0.686 167 G HA3 -0.054 3.907 3.960 0.002 0.000 0.686 167 G C -3.318 171.480 174.900 -0.171 0.000 1.271 167 G CA -1.400 43.554 45.100 -0.244 0.000 0.816 167 G HN 0.398 nan 8.290 nan 0.000 0.608 168 P HA 0.224 nan 4.420 nan 0.000 0.264 168 P C -1.717 175.516 177.300 -0.111 0.000 1.193 168 P CA -0.966 62.034 63.100 -0.167 0.000 0.763 168 P CB 0.393 31.971 31.700 -0.203 0.000 0.810 169 P HA -0.171 nan 4.420 nan 0.000 0.217 169 P C 1.200 178.469 177.300 -0.052 0.000 1.148 169 P CA 1.851 64.917 63.100 -0.056 0.000 0.828 169 P CB -0.504 31.169 31.700 -0.045 0.000 0.783 170 T N -5.396 109.120 114.554 -0.064 0.000 3.129 170 T HA 0.111 4.462 4.350 0.002 0.000 0.251 170 T C 0.868 175.530 174.700 -0.063 0.000 1.117 170 T CA -0.248 61.818 62.100 -0.057 0.000 1.034 170 T CB -0.722 68.111 68.868 -0.058 0.000 0.968 170 T HN -0.049 nan 8.240 nan 0.000 0.526 171 S N 2.444 118.101 115.700 -0.073 0.000 2.549 171 S HA 0.249 4.720 4.470 0.002 0.000 0.279 171 S C -1.436 173.124 174.600 -0.067 0.000 1.321 171 S CA -1.350 56.804 58.200 -0.076 0.000 1.054 171 S CB 0.900 64.047 63.200 -0.088 0.000 0.899 171 S HN 0.104 nan 8.310 nan 0.000 0.497 172 P HA -0.029 nan 4.420 nan 0.000 0.223 172 P C 0.750 177.973 177.300 -0.127 0.000 1.144 172 P CA 0.994 64.044 63.100 -0.083 0.000 0.783 172 P CB 0.096 31.750 31.700 -0.076 0.000 0.771 173 L N -2.456 118.694 121.223 -0.122 0.000 2.585 173 L HA 0.229 4.570 4.340 0.002 0.000 0.226 173 L C 1.142 178.001 176.870 -0.019 0.000 1.113 173 L CA -0.428 54.311 54.840 -0.168 0.000 0.876 173 L CB -0.347 41.650 42.059 -0.103 0.000 1.072 173 L HN -0.139 nan 8.230 nan 0.000 0.468 174 A N 0.774 123.601 122.820 0.010 0.000 2.445 174 A HA 0.380 4.701 4.320 0.002 0.000 0.242 174 A C -0.066 177.613 177.584 0.158 0.000 1.075 174 A CA 0.151 52.241 52.037 0.088 0.000 0.777 174 A CB 0.327 19.325 19.000 -0.004 0.000 1.013 174 A HN 0.015 nan 8.150 nan 0.000 0.493 175 K N 1.347 121.926 120.400 0.299 0.000 2.426 175 K HA 0.576 4.897 4.320 0.002 0.000 0.251 175 K C -1.092 175.668 176.600 0.266 0.000 0.941 175 K CA -0.379 56.108 56.287 0.332 0.000 0.808 175 K CB 1.916 34.765 32.500 0.581 0.000 1.265 175 K HN 0.650 nan 8.250 nan 0.000 0.432 176 L N 0.543 121.904 121.223 0.229 0.000 2.352 176 L HA 0.733 5.074 4.340 0.002 0.000 0.269 176 L C 0.695 177.619 176.870 0.091 0.000 1.034 176 L CA -0.879 54.001 54.840 0.066 0.000 0.806 176 L CB 1.833 43.905 42.059 0.022 0.000 1.244 176 L HN 0.731 nan 8.230 nan 0.000 0.447 177 G N 0.381 108.936 108.800 -0.409 0.000 2.672 177 G HA2 0.627 4.588 3.960 0.002 0.000 0.292 177 G HA3 0.627 4.588 3.960 0.002 0.000 0.292 177 G C -1.794 172.797 174.900 -0.514 0.000 1.375 177 G CA -0.365 44.429 45.100 -0.510 0.000 0.890 177 G HN 0.268 nan 8.290 nan 0.000 0.476 178 V N 0.706 120.635 119.914 0.024 0.000 2.443 178 V HA 0.458 4.578 4.120 0.002 0.000 0.293 178 V C -0.244 176.183 176.094 0.556 0.000 1.021 178 V CA -0.625 61.810 62.300 0.224 0.000 0.848 178 V CB 1.329 33.204 31.823 0.087 0.000 0.998 178 V HN 0.837 nan 8.190 nan 0.000 0.424 179 Q N 3.994 124.178 119.800 0.640 0.000 2.290 179 Q HA 0.683 5.023 4.340 0.002 0.000 0.259 179 Q C -0.749 175.478 176.000 0.379 0.000 0.941 179 Q CA -0.559 55.559 55.803 0.526 0.000 0.912 179 Q CB 2.033 30.995 28.738 0.374 0.000 1.244 179 Q HN 0.780 nan 8.270 nan 0.000 0.441 180 V N 1.311 121.438 119.914 0.354 0.000 2.532 180 V HA 0.884 5.005 4.120 0.002 0.000 0.295 180 V C -0.442 175.807 176.094 0.258 0.000 1.041 180 V CA -0.167 62.259 62.300 0.210 0.000 0.926 180 V CB 1.554 33.387 31.823 0.017 0.000 0.992 180 V HN 0.827 nan 8.190 nan 0.000 0.457 181 T N 1.740 116.447 114.554 0.255 0.000 2.853 181 T HA 0.454 4.805 4.350 0.002 0.000 0.311 181 T C -0.659 174.215 174.700 0.291 0.000 1.307 181 T CA 0.196 62.487 62.100 0.319 0.000 1.019 181 T CB 1.976 71.056 68.868 0.354 0.000 1.264 181 T HN 1.011 nan 8.240 nan 0.000 0.497 182 D N 0.916 121.445 120.400 0.216 0.000 2.424 182 D HA 0.242 4.883 4.640 0.002 0.000 0.220 182 D C 0.264 176.673 176.300 0.182 0.000 1.150 182 D CA -0.219 53.892 54.000 0.184 0.000 0.831 182 D CB 0.269 41.092 40.800 0.038 0.000 0.981 182 D HN 0.262 nan 8.370 nan 0.000 0.500 183 S N 0.822 116.623 115.700 0.168 0.000 2.566 183 S HA 0.422 4.893 4.470 0.002 0.000 0.324 183 S C -2.004 172.529 174.600 -0.112 0.000 1.081 183 S CA -1.473 56.747 58.200 0.033 0.000 1.105 183 S CB 1.672 64.903 63.200 0.051 0.000 0.981 183 S HN -0.257 nan 8.310 nan 0.000 0.464 184 P HA -0.089 nan 4.420 nan 0.000 0.220 184 P C 0.971 178.144 177.300 -0.213 0.000 1.148 184 P CA 0.770 63.627 63.100 -0.405 0.000 0.803 184 P CB -0.107 31.436 31.700 -0.262 0.000 0.782 185 Y N 0.478 120.659 120.300 -0.199 0.000 2.181 185 Y HA -0.210 4.341 4.550 0.002 0.000 0.288 185 Y C 2.057 177.872 175.900 -0.141 0.000 1.146 185 Y CA 1.371 59.400 58.100 -0.119 0.000 1.164 185 Y CB -0.903 37.531 38.460 -0.045 0.000 0.982 185 Y HN -0.291 nan 8.280 nan 0.000 0.515 186 V N -0.664 119.248 119.914 -0.003 0.000 2.343 186 V HA -0.320 3.801 4.120 0.002 0.000 0.247 186 V C 2.339 178.288 176.094 -0.241 0.000 1.051 186 V CA 1.727 63.944 62.300 -0.138 0.000 1.036 186 V CB -0.814 30.932 31.823 -0.128 0.000 0.654 186 V HN 0.387 nan 8.190 nan 0.000 0.451 187 V N -0.345 119.418 119.914 -0.252 0.000 2.255 187 V HA -0.275 3.846 4.120 0.002 0.000 0.247 187 V C 2.372 178.313 176.094 -0.255 0.000 1.051 187 V CA 2.273 64.415 62.300 -0.264 0.000 1.018 187 V CB -0.628 30.955 31.823 -0.399 0.000 0.641 187 V HN 0.510 nan 8.190 nan 0.000 0.445 188 L N 0.051 121.102 121.223 -0.287 0.000 2.012 188 L HA -0.155 4.186 4.340 0.002 0.000 0.210 188 L C 2.508 179.212 176.870 -0.278 0.000 1.073 188 L CA 2.291 56.971 54.840 -0.268 0.000 0.748 188 L CB -0.569 41.316 42.059 -0.290 0.000 0.891 188 L HN 0.277 nan 8.230 nan 0.000 0.431 189 S N -1.066 114.410 115.700 -0.373 0.000 2.402 189 S HA -0.104 4.367 4.470 0.002 0.000 0.229 189 S C 1.894 176.319 174.600 -0.292 0.000 1.021 189 S CA 1.275 59.261 58.200 -0.358 0.000 0.974 189 S CB -0.214 62.689 63.200 -0.495 0.000 0.800 189 S HN 0.359 nan 8.310 nan 0.000 0.484 190 M N 1.170 120.595 119.600 -0.291 0.000 2.175 190 M HA 0.018 4.499 4.480 0.002 0.000 0.264 190 M C 2.027 178.199 176.300 -0.214 0.000 1.063 190 M CA 1.244 56.369 55.300 -0.291 0.000 1.119 190 M CB -0.985 31.426 32.600 -0.315 0.000 1.377 190 M HN 0.236 nan 8.290 nan 0.000 0.415 191 R N -0.033 120.367 120.500 -0.167 0.000 2.105 191 R HA -0.086 4.255 4.340 0.002 0.000 0.239 191 R C 2.112 178.355 176.300 -0.096 0.000 1.135 191 R CA 1.222 57.257 56.100 -0.108 0.000 0.967 191 R CB -0.373 29.868 30.300 -0.098 0.000 0.861 191 R HN 0.345 nan 8.270 nan 0.000 0.442 192 I N -0.175 120.324 120.570 -0.118 0.000 2.333 192 I HA -0.193 3.978 4.170 0.002 0.000 0.246 192 I C 2.008 178.062 176.117 -0.106 0.000 1.106 192 I CA 0.908 62.151 61.300 -0.095 0.000 1.411 192 I CB -0.025 37.919 38.000 -0.093 0.000 1.082 192 I HN 0.130 nan 8.210 nan 0.000 0.420 193 M N -0.004 119.508 119.600 -0.147 0.000 2.514 193 M HA 0.102 4.583 4.480 0.002 0.000 0.258 193 M C 0.992 177.199 176.300 -0.155 0.000 1.119 193 M CA 0.674 55.877 55.300 -0.161 0.000 1.111 193 M CB -0.815 31.657 32.600 -0.214 0.000 1.390 193 M HN 0.323 nan 8.290 nan 0.000 0.475 194 T N -1.899 112.572 114.554 -0.138 0.000 2.831 194 T HA 0.656 5.006 4.350 0.002 0.000 0.287 194 T C -0.445 174.238 174.700 -0.029 0.000 1.070 194 T CA -0.933 61.116 62.100 -0.085 0.000 1.010 194 T CB 2.155 70.972 68.868 -0.085 0.000 1.264 194 T HN -0.084 nan 8.240 nan 0.000 0.532 195 R N 0.431 120.940 120.500 0.016 0.000 2.202 195 R HA 0.660 5.001 4.340 0.002 0.000 0.334 195 R C -1.055 175.285 176.300 0.067 0.000 1.036 195 R CA -0.431 55.681 56.100 0.019 0.000 0.878 195 R CB 0.599 30.894 30.300 -0.007 0.000 1.067 195 R HN 0.572 nan 8.270 nan 0.000 0.457 196 V N 2.916 122.855 119.914 0.041 0.000 2.483 196 V HA 0.913 5.034 4.120 0.002 0.000 0.297 196 V C 0.367 176.476 176.094 0.025 0.000 1.027 196 V CA -0.325 62.007 62.300 0.053 0.000 0.855 196 V CB 1.561 33.409 31.823 0.041 0.000 0.995 196 V HN 0.903 nan 8.190 nan 0.000 0.424 197 G N 5.244 114.057 108.800 0.023 0.000 2.315 197 G HA2 0.362 4.323 3.960 0.002 0.000 0.294 197 G HA3 0.362 4.323 3.960 0.002 0.000 0.294 197 G C -2.924 171.978 174.900 0.003 0.000 1.300 197 G CA -0.339 44.767 45.100 0.010 0.000 0.843 197 G HN 0.370 nan 8.290 nan 0.000 0.527 198 P HA -0.008 nan 4.420 nan 0.000 0.218 198 P C 2.066 179.360 177.300 -0.010 0.000 1.148 198 P CA 2.340 65.437 63.100 -0.005 0.000 0.822 198 P CB 0.145 31.843 31.700 -0.004 0.000 0.784 199 A N -0.902 121.911 122.820 -0.012 0.000 2.015 199 A HA -0.111 4.210 4.320 0.002 0.000 0.219 199 A C 2.224 179.796 177.584 -0.020 0.000 1.163 199 A CA 1.505 53.531 52.037 -0.018 0.000 0.646 199 A CB -1.445 17.540 19.000 -0.025 0.000 0.806 199 A HN 0.057 nan 8.150 nan 0.000 0.448 200 V N -0.684 119.221 119.914 -0.015 0.000 2.331 200 V HA -0.132 3.988 4.120 0.002 0.000 0.242 200 V C 2.356 178.434 176.094 -0.027 0.000 1.034 200 V CA 1.538 63.827 62.300 -0.018 0.000 1.027 200 V CB -0.710 31.112 31.823 -0.002 0.000 0.667 200 V HN 0.526 nan 8.190 nan 0.000 0.457 201 L N 1.178 122.387 121.223 -0.022 0.000 2.187 201 L HA -0.208 4.133 4.340 0.002 0.000 0.213 201 L C 2.551 179.403 176.870 -0.030 0.000 1.100 201 L CA 2.188 57.010 54.840 -0.031 0.000 0.765 201 L CB -0.770 41.278 42.059 -0.018 0.000 0.904 201 L HN 0.644 nan 8.230 nan 0.000 0.437 202 Q N -1.620 118.167 119.800 -0.021 0.000 2.389 202 Q HA -0.095 4.246 4.340 0.002 0.000 0.204 202 Q C 1.758 177.749 176.000 -0.016 0.000 0.944 202 Q CA 0.742 56.535 55.803 -0.017 0.000 0.908 202 Q CB -0.220 28.510 28.738 -0.013 0.000 1.002 202 Q HN 0.462 nan 8.270 nan 0.000 0.493 203 R N 0.065 120.554 120.500 -0.019 0.000 2.280 203 R HA 0.193 4.534 4.340 0.002 0.000 0.195 203 R C 0.023 176.318 176.300 -0.009 0.000 0.935 203 R CA -0.255 55.837 56.100 -0.013 0.000 1.033 203 R CB 0.226 30.517 30.300 -0.014 0.000 0.964 203 R HN 0.151 nan 8.270 nan 0.000 0.489 204 L N 2.710 123.917 121.223 -0.027 0.000 2.361 204 L HA 0.051 4.392 4.340 0.002 0.000 0.278 204 L C -0.189 176.678 176.870 -0.005 0.000 1.113 204 L CA 0.293 55.108 54.840 -0.041 0.000 0.849 204 L CB 0.412 42.396 42.059 -0.125 0.000 1.155 204 L HN 0.123 nan 8.230 nan 0.000 0.452 205 D N 1.423 121.858 120.400 0.058 0.000 2.887 205 D HA 0.161 4.802 4.640 0.002 0.000 0.221 205 D C 0.418 176.855 176.300 0.228 0.000 1.276 205 D CA -0.130 53.927 54.000 0.095 0.000 1.078 205 D CB -0.185 40.655 40.800 0.067 0.000 1.217 205 D HN 0.406 nan 8.370 nan 0.000 0.631 206 D N -1.149 119.365 120.400 0.190 0.000 2.277 206 D HA -0.078 4.562 4.640 0.002 0.000 0.208 206 D C -0.271 176.094 176.300 0.108 0.000 0.962 206 D CA 0.332 54.450 54.000 0.197 0.000 0.865 206 D CB -0.080 40.757 40.800 0.061 0.000 0.939 206 D HN 0.218 nan 8.370 nan 0.000 0.510 207 D N -0.077 120.400 120.400 0.129 0.000 2.455 207 D HA 0.154 4.795 4.640 0.002 0.000 0.234 207 D C -0.924 175.478 176.300 0.171 0.000 1.224 207 D CA -0.041 53.993 54.000 0.056 0.000 0.999 207 D CB -0.722 40.107 40.800 0.049 0.000 1.072 207 D HN 0.199 nan 8.370 nan 0.000 0.514 208 F N 0.226 120.130 119.950 -0.077 0.000 2.693 208 F HA 0.468 4.996 4.527 0.002 0.000 0.309 208 F C -1.553 174.129 175.800 -0.196 0.000 1.129 208 F CA -1.373 56.561 58.000 -0.109 0.000 0.948 208 F CB 0.650 39.583 39.000 -0.111 0.000 1.315 208 F HN -0.211 nan 8.300 nan 0.000 0.447 209 V N 2.806 122.635 119.914 -0.143 0.000 2.432 209 V HA 0.419 4.540 4.120 0.002 0.000 0.271 209 V C 0.019 175.990 176.094 -0.205 0.000 1.046 209 V CA -0.463 61.621 62.300 -0.360 0.000 0.945 209 V CB 0.774 32.154 31.823 -0.738 0.000 0.992 209 V HN 0.638 nan 8.190 nan 0.000 0.471 210 R N 3.413 123.647 120.500 -0.442 0.000 2.316 210 R HA 0.389 4.730 4.340 0.002 0.000 0.314 210 R C -0.731 175.407 176.300 -0.271 0.000 1.069 210 R CA 0.078 55.757 56.100 -0.702 0.000 0.959 210 R CB 0.295 29.892 30.300 -1.171 0.000 0.987 210 R HN 0.743 nan 8.270 nan 0.000 0.446 211 C N 5.028 124.387 119.300 0.099 0.000 2.316 211 C HA 0.443 4.904 4.460 0.002 0.000 0.324 211 C C -0.870 174.436 174.990 0.526 0.000 1.226 211 C CA -1.022 58.188 59.018 0.320 0.000 1.450 211 C CB 0.223 28.204 27.740 0.402 0.000 2.123 211 C HN 0.600 nan 8.230 nan 0.000 0.454 212 L N 4.924 126.406 121.223 0.431 0.000 2.305 212 L HA 0.601 4.942 4.340 0.002 0.000 0.284 212 L C -0.428 176.692 176.870 0.417 0.000 1.013 212 L CA 0.313 55.389 54.840 0.393 0.000 0.819 212 L CB 0.377 42.574 42.059 0.230 0.000 1.227 212 L HN 0.807 nan 8.230 nan 0.000 0.417 213 H N 3.518 122.779 119.070 0.319 0.000 2.759 213 H HA 0.576 5.133 4.556 0.001 0.000 0.354 213 H C -1.837 173.658 175.328 0.278 0.000 1.074 213 H CA -0.348 55.883 56.048 0.306 0.000 1.226 213 H CB 1.992 31.868 29.762 0.190 0.000 1.648 213 H HN 0.670 nan 8.280 nan 0.000 0.529 214 S N 3.442 118.879 115.700 -0.439 0.000 2.541 214 S HA 0.211 4.682 4.470 0.002 0.000 0.280 214 S C 1.105 175.147 174.600 -0.929 0.000 1.112 214 S CA -0.244 57.611 58.200 -0.574 0.000 0.925 214 S CB 1.237 64.285 63.200 -0.254 0.000 1.067 214 S HN 0.564 nan 8.310 nan 0.000 0.479 215 V N 2.164 121.671 119.914 -0.678 0.000 3.141 215 V HA 0.315 4.436 4.120 0.002 0.000 0.265 215 V C 1.448 177.126 176.094 -0.693 0.000 1.126 215 V CA 1.149 63.118 62.300 -0.551 0.000 1.141 215 V CB -1.446 30.160 31.823 -0.362 0.000 0.743 215 V HN 1.860 nan 8.190 nan 0.000 0.492 216 G N 0.961 109.272 108.800 -0.815 0.000 2.225 216 G HA2 -0.228 3.733 3.960 0.002 0.000 0.264 216 G HA3 -0.228 3.733 3.960 0.002 0.000 0.264 216 G C 0.084 174.786 174.900 -0.331 0.000 1.060 216 G CA 0.304 44.884 45.100 -0.866 0.000 0.833 216 G HN 0.559 nan 8.290 nan 0.000 0.498 217 R N 0.252 120.613 120.500 -0.231 0.000 2.629 217 R HA 0.279 4.620 4.340 0.002 0.000 0.277 217 R C -2.515 173.736 176.300 -0.082 0.000 1.637 217 R CA -1.563 54.462 56.100 -0.125 0.000 1.663 217 R CB 1.347 31.573 30.300 -0.123 0.000 1.228 217 R HN 0.336 nan 8.270 nan 0.000 0.632 218 P HA 0.060 nan 4.420 nan 0.000 0.269 218 P C -0.023 177.262 177.300 -0.025 0.000 1.215 218 P CA -0.068 63.013 63.100 -0.031 0.000 0.780 218 P CB 1.100 32.794 31.700 -0.009 0.000 0.898 219 L N 3.280 124.491 121.223 -0.021 0.000 2.343 219 L HA 0.426 4.767 4.340 0.002 0.000 0.275 219 L C -1.618 175.246 176.870 -0.010 0.000 1.056 219 L CA -2.159 52.672 54.840 -0.015 0.000 0.804 219 L CB 0.663 42.713 42.059 -0.015 0.000 1.203 219 L HN 0.292 nan 8.230 nan 0.000 0.440 220 P HA 0.211 nan 4.420 nan 0.000 0.275 220 P C -0.732 176.564 177.300 -0.006 0.000 1.228 220 P CA -0.457 62.640 63.100 -0.005 0.000 0.786 220 P CB 0.794 32.493 31.700 -0.002 0.000 0.927 221 L N 1.974 123.194 121.223 -0.006 0.000 2.453 221 L HA 0.065 4.406 4.340 0.002 0.000 0.272 221 L C 1.920 178.790 176.870 -0.000 0.000 1.182 221 L CA 0.111 54.948 54.840 -0.005 0.000 0.858 221 L CB 0.120 42.176 42.059 -0.004 0.000 1.120 221 L HN 0.541 nan 8.230 nan 0.000 0.474 222 T N -1.631 112.923 114.554 0.001 0.000 3.051 222 T HA 0.105 4.456 4.350 0.002 0.000 0.255 222 T C 0.550 175.254 174.700 0.007 0.000 1.085 222 T CA 0.098 62.200 62.100 0.004 0.000 1.109 222 T CB 0.265 69.136 68.868 0.005 0.000 0.921 222 T HN 0.566 nan 8.240 nan 0.000 0.488 223 E N 1.534 121.738 120.200 0.008 0.000 2.288 223 E HA 0.489 4.840 4.350 0.002 0.000 0.268 223 E C -2.875 173.733 176.600 0.013 0.000 0.885 223 E CA -2.792 53.615 56.400 0.012 0.000 0.767 223 E CB 2.122 31.830 29.700 0.015 0.000 1.220 223 E HN 0.091 nan 8.360 nan 0.000 0.427 224 P HA 0.102 nan 4.420 nan 0.000 0.272 224 P C -0.645 176.672 177.300 0.029 0.000 1.223 224 P CA -0.139 62.974 63.100 0.021 0.000 0.784 224 P CB 0.464 32.177 31.700 0.023 0.000 0.923 225 L N 1.036 122.279 121.223 0.034 0.000 2.467 225 L HA 0.199 4.540 4.340 0.002 0.000 0.270 225 L C 0.181 177.092 176.870 0.070 0.000 1.205 225 L CA -0.535 54.337 54.840 0.054 0.000 0.828 225 L CB 0.218 42.312 42.059 0.057 0.000 1.101 225 L HN 0.090 nan 8.230 nan 0.000 0.479 226 V N 1.780 121.751 119.914 0.095 0.000 2.427 226 V HA 0.119 4.240 4.120 0.002 0.000 0.286 226 V C 0.772 176.947 176.094 0.136 0.000 1.034 226 V CA -0.126 62.228 62.300 0.090 0.000 0.893 226 V CB 1.273 33.139 31.823 0.072 0.000 0.982 226 V HN 0.978 nan 8.190 nan 0.000 0.452 227 S N 3.864 119.628 115.700 0.106 0.000 3.533 227 S HA -0.241 4.230 4.470 0.002 0.000 0.347 227 S C 0.907 175.637 174.600 0.216 0.000 1.101 227 S CA 0.851 59.133 58.200 0.137 0.000 1.009 227 S CB -1.032 62.228 63.200 0.100 0.000 0.916 227 S HN 1.669 nan 8.310 nan 0.000 0.496 228 S N -1.297 114.509 115.700 0.177 0.000 3.473 228 S HA -0.218 4.253 4.470 0.002 0.000 0.339 228 S C -0.413 174.315 174.600 0.212 0.000 1.148 228 S CA 1.345 59.643 58.200 0.163 0.000 0.969 228 S CB -1.574 61.715 63.200 0.148 0.000 0.936 228 S HN 0.819 nan 8.310 nan 0.000 0.530 229 W N 3.205 124.515 121.300 0.016 0.000 2.338 229 W HA 0.377 5.038 4.660 0.001 0.000 0.315 229 W C -3.127 173.384 176.519 -0.012 0.000 1.005 229 W CA -2.234 55.109 57.345 -0.002 0.000 1.380 229 W CB 1.300 30.764 29.460 0.006 0.000 1.235 229 W HN 0.001 nan 8.180 nan 0.000 0.409 230 P HA 0.194 nan 4.420 nan 0.000 0.276 230 P C -0.374 176.723 177.300 -0.338 0.000 1.235 230 P CA 0.375 63.317 63.100 -0.264 0.000 0.772 230 P CB 0.962 32.511 31.700 -0.252 0.000 0.871 231 C N 0.117 119.329 119.300 -0.146 0.000 3.292 231 C HA 0.611 5.072 4.460 0.002 0.000 0.338 231 C C -1.225 173.716 174.990 -0.081 0.000 1.323 231 C CA -0.709 58.249 59.018 -0.100 0.000 1.232 231 C CB 1.337 29.141 27.740 0.108 0.000 1.517 231 C HN 0.462 nan 8.230 nan 0.000 0.470 232 D N 1.106 121.445 120.400 -0.102 0.000 2.443 232 D HA 0.462 5.102 4.640 0.002 0.000 0.281 232 D C -1.719 174.605 176.300 0.040 0.000 1.210 232 D CA -1.610 52.370 54.000 -0.033 0.000 0.875 232 D CB 1.123 41.892 40.800 -0.052 0.000 1.125 232 D HN 0.323 nan 8.370 nan 0.000 0.503 233 P HA -0.156 nan 4.420 nan 0.000 0.215 233 P C 1.424 178.773 177.300 0.082 0.000 1.153 233 P CA 1.125 64.271 63.100 0.077 0.000 0.853 233 P CB 0.150 31.894 31.700 0.073 0.000 0.788 234 S N -1.081 114.664 115.700 0.075 0.000 2.474 234 S HA -0.050 4.421 4.470 0.002 0.000 0.235 234 S C 1.571 176.222 174.600 0.085 0.000 0.997 234 S CA 0.635 58.877 58.200 0.071 0.000 0.949 234 S CB -0.675 62.559 63.200 0.056 0.000 0.766 234 S HN 0.134 nan 8.310 nan 0.000 0.517 235 R N 0.646 121.220 120.500 0.123 0.000 2.577 235 R HA 0.348 4.689 4.340 0.002 0.000 0.344 235 R C -0.619 175.825 176.300 0.239 0.000 1.037 235 R CA -0.196 55.997 56.100 0.155 0.000 1.102 235 R CB 0.725 31.130 30.300 0.176 0.000 1.313 235 R HN 0.237 nan 8.270 nan 0.000 0.561 236 V N 2.307 122.340 119.914 0.198 0.000 2.720 236 V HA -0.078 4.043 4.120 0.002 0.000 0.307 236 V C -0.045 176.179 176.094 0.217 0.000 1.071 236 V CA 0.713 63.141 62.300 0.213 0.000 1.199 236 V CB 0.572 32.488 31.823 0.156 0.000 0.900 236 V HN 0.138 nan 8.190 nan 0.000 0.494 237 L N 6.078 127.461 121.223 0.267 0.000 2.543 237 L HA 0.620 4.961 4.340 0.002 0.000 0.265 237 L C -0.881 176.154 176.870 0.275 0.000 0.945 237 L CA -0.000 54.988 54.840 0.247 0.000 0.869 237 L CB 2.234 44.438 42.059 0.241 0.000 1.294 237 L HN 0.359 nan 8.230 nan 0.000 0.405 238 V N 4.653 124.703 119.914 0.228 0.000 2.357 238 V HA 0.880 5.000 4.120 0.002 0.000 0.281 238 V C 0.083 176.239 176.094 0.103 0.000 1.015 238 V CA -0.146 62.268 62.300 0.189 0.000 0.827 238 V CB 1.051 33.011 31.823 0.228 0.000 1.018 238 V HN 0.918 nan 8.190 nan 0.000 0.432 239 A N 3.635 126.439 122.820 -0.028 0.000 2.340 239 A HA 0.913 5.234 4.320 0.002 0.000 0.331 239 A C -0.991 176.342 177.584 -0.418 0.000 1.140 239 A CA -0.542 51.434 52.037 -0.102 0.000 0.801 239 A CB 0.900 19.877 19.000 -0.039 0.000 1.234 239 A HN 0.916 nan 8.150 nan 0.000 0.469 240 H N 0.701 119.711 119.070 -0.100 0.000 2.727 240 H HA 0.529 5.086 4.556 0.001 0.000 0.330 240 H C -1.227 174.002 175.328 -0.165 0.000 0.986 240 H CA -0.337 55.666 56.048 -0.075 0.000 1.251 240 H CB 1.153 30.926 29.762 0.019 0.000 1.493 240 H HN 0.419 nan 8.280 nan 0.000 0.515 241 I N 5.274 125.772 120.570 -0.119 0.000 2.620 241 I HA 0.195 4.366 4.170 0.002 0.000 0.280 241 I C -1.731 174.334 176.117 -0.087 0.000 1.143 241 I CA -1.641 59.563 61.300 -0.161 0.000 1.163 241 I CB 1.192 39.037 38.000 -0.257 0.000 1.461 241 I HN 0.470 nan 8.210 nan 0.000 0.530 242 P HA -0.184 nan 4.420 nan 0.000 0.216 242 P C 1.437 178.692 177.300 -0.076 0.000 1.150 242 P CA 1.422 64.493 63.100 -0.048 0.000 0.837 242 P CB 0.129 31.817 31.700 -0.020 0.000 0.786 243 S N -0.715 114.948 115.700 -0.061 0.000 2.507 243 S HA -0.068 4.403 4.470 0.002 0.000 0.235 243 S C 1.508 176.061 174.600 -0.078 0.000 0.988 243 S CA 0.719 58.882 58.200 -0.062 0.000 0.944 243 S CB -0.824 62.355 63.200 -0.035 0.000 0.762 243 S HN 0.270 nan 8.310 nan 0.000 0.526 244 E N 0.502 120.645 120.200 -0.094 0.000 2.538 244 E HA 0.265 4.616 4.350 0.002 0.000 0.207 244 E C -0.468 176.030 176.600 -0.171 0.000 1.002 244 E CA -0.441 55.891 56.400 -0.113 0.000 0.952 244 E CB 0.243 29.893 29.700 -0.083 0.000 1.031 244 E HN 0.385 nan 8.360 nan 0.000 0.476 245 R N 1.015 121.410 120.500 -0.176 0.000 3.333 245 R HA -0.198 4.143 4.340 0.002 0.000 0.256 245 R C -0.114 176.025 176.300 -0.267 0.000 1.010 245 R CA 0.533 56.492 56.100 -0.234 0.000 0.680 245 R CB -1.738 28.386 30.300 -0.293 0.000 1.102 245 R HN 0.092 nan 8.270 nan 0.000 0.440 246 R N 0.782 121.166 120.500 -0.195 0.000 2.673 246 R HA 0.608 4.949 4.340 0.002 0.000 0.281 246 R C -0.963 175.268 176.300 -0.116 0.000 0.991 246 R CA -0.771 55.227 56.100 -0.169 0.000 0.896 246 R CB 1.390 31.613 30.300 -0.128 0.000 1.201 246 R HN 0.157 nan 8.270 nan 0.000 0.457 247 I N 3.732 124.261 120.570 -0.069 0.000 2.436 247 I HA 0.374 4.545 4.170 0.002 0.000 0.289 247 I C -0.875 175.267 176.117 0.042 0.000 1.010 247 I CA -0.990 60.274 61.300 -0.060 0.000 1.098 247 I CB 2.273 40.269 38.000 -0.006 0.000 1.266 247 I HN 0.222 nan 8.210 nan 0.000 0.434 248 V N 4.572 124.516 119.914 0.049 0.000 2.444 248 V HA 0.503 4.624 4.120 0.002 0.000 0.294 248 V C -0.375 175.901 176.094 0.304 0.000 1.022 248 V CA -0.392 62.030 62.300 0.204 0.000 0.850 248 V CB 1.741 33.734 31.823 0.284 0.000 0.992 248 V HN 0.753 nan 8.190 nan 0.000 0.426 249 S N 5.192 121.158 115.700 0.442 0.000 2.594 249 S HA 0.804 5.275 4.470 0.002 0.000 0.296 249 S C -1.485 173.429 174.600 0.524 0.000 1.124 249 S CA -0.396 58.075 58.200 0.451 0.000 1.011 249 S CB 1.095 64.530 63.200 0.391 0.000 1.016 249 S HN 0.575 nan 8.310 nan 0.000 0.485 250 F N 3.526 123.596 119.950 0.199 0.000 2.556 250 F HA 0.654 5.182 4.527 0.001 0.000 0.314 250 F C 0.824 176.591 175.800 -0.054 0.000 1.106 250 F CA 0.562 58.511 58.000 -0.085 0.000 0.911 250 F CB 1.749 40.580 39.000 -0.281 0.000 1.190 250 F HN 0.873 nan 8.300 nan 0.000 0.448 251 G N 2.688 111.022 108.800 -0.776 0.000 2.195 251 G HA2 -0.172 3.789 3.960 0.002 0.000 0.246 251 G HA3 -0.172 3.789 3.960 0.002 0.000 0.246 251 G C -0.147 174.667 174.900 -0.144 0.000 0.984 251 G CA 0.165 44.967 45.100 -0.497 0.000 0.633 251 G HN 1.073 nan 8.290 nan 0.000 0.525 252 S N -0.685 115.014 115.700 -0.001 0.000 2.526 252 S HA 0.661 5.132 4.470 0.002 0.000 0.293 252 S C 1.011 175.770 174.600 0.264 0.000 1.092 252 S CA 0.711 59.015 58.200 0.173 0.000 0.980 252 S CB 1.624 64.967 63.200 0.238 0.000 1.048 252 S HN 1.346 nan 8.310 nan 0.000 0.483 253 G N 1.979 110.949 108.800 0.282 0.000 3.126 253 G HA2 0.168 4.129 3.960 0.002 0.000 0.224 253 G HA3 0.168 4.129 3.960 0.002 0.000 0.224 253 G C -0.364 174.800 174.900 0.440 0.000 1.142 253 G CA -0.033 45.188 45.100 0.203 0.000 0.759 253 G HN 0.653 nan 8.290 nan 0.000 0.550 254 Y N 1.555 122.076 120.300 0.368 0.000 2.326 254 Y HA 0.434 4.985 4.550 0.002 0.000 0.337 254 Y C 1.491 177.521 175.900 0.217 0.000 1.023 254 Y CA 0.316 58.611 58.100 0.326 0.000 1.143 254 Y CB 1.154 39.748 38.460 0.223 0.000 1.183 254 Y HN 0.307 nan 8.280 nan 0.000 0.485 255 G N 3.995 112.702 108.800 -0.155 0.000 2.678 255 G HA2 -0.464 3.497 3.960 0.002 0.000 0.362 255 G HA3 -0.464 3.497 3.960 0.002 0.000 0.362 255 G C 1.421 176.258 174.900 -0.104 0.000 1.169 255 G CA 0.913 45.852 45.100 -0.269 0.000 0.933 255 G HN 1.282 nan 8.290 nan 0.000 0.587 256 G N -0.004 108.879 108.800 0.139 0.000 2.470 256 G HA2 -0.125 3.836 3.960 0.002 0.000 0.220 256 G HA3 -0.125 3.836 3.960 0.002 0.000 0.220 256 G C 1.534 176.536 174.900 0.171 0.000 1.121 256 G CA 1.520 46.709 45.100 0.150 0.000 0.766 256 G HN 0.585 nan 8.290 nan 0.000 0.553 257 N N 0.483 119.305 118.700 0.204 0.000 2.333 257 N HA -0.051 4.690 4.740 0.002 0.000 0.178 257 N C 2.380 177.975 175.510 0.142 0.000 1.018 257 N CA 1.456 54.632 53.050 0.210 0.000 0.882 257 N CB 0.137 38.776 38.487 0.253 0.000 0.984 257 N HN 0.495 nan 8.380 nan 0.000 0.434 258 S N -0.471 115.246 115.700 0.027 0.000 2.575 258 S HA 0.231 4.702 4.470 0.002 0.000 0.230 258 S C 0.647 175.060 174.600 -0.311 0.000 1.062 258 S CA -0.388 57.673 58.200 -0.232 0.000 0.913 258 S CB -0.017 63.065 63.200 -0.197 0.000 0.837 258 S HN 0.021 nan 8.310 nan 0.000 0.487 259 L N 3.127 124.215 121.223 -0.226 0.000 2.334 259 L HA 0.407 4.748 4.340 0.002 0.000 0.286 259 L C 0.761 177.531 176.870 -0.167 0.000 1.108 259 L CA -0.311 54.365 54.840 -0.274 0.000 0.875 259 L CB 0.489 42.313 42.059 -0.393 0.000 1.246 259 L HN 0.227 nan 8.230 nan 0.000 0.439 260 L N 2.119 123.272 121.223 -0.115 0.000 2.376 260 L HA -0.017 4.324 4.340 0.002 0.000 0.219 260 L C 2.381 179.356 176.870 0.176 0.000 1.133 260 L CA 0.826 55.707 54.840 0.068 0.000 0.816 260 L CB -0.301 41.849 42.059 0.152 0.000 0.933 260 L HN 0.808 nan 8.230 nan 0.000 0.449 261 G N 0.421 109.213 108.800 -0.012 0.000 2.408 261 G HA2 -0.284 3.677 3.960 0.002 0.000 0.217 261 G HA3 -0.284 3.677 3.960 0.002 0.000 0.217 261 G C 1.628 176.551 174.900 0.037 0.000 1.150 261 G CA 0.704 45.833 45.100 0.049 0.000 0.776 261 G HN 0.212 nan 8.290 nan 0.000 0.542 262 K N 0.260 120.630 120.400 -0.050 0.000 1.991 262 K HA -0.093 4.228 4.320 0.002 0.000 0.212 262 K C 2.167 178.760 176.600 -0.011 0.000 1.049 262 K CA 1.546 57.791 56.287 -0.071 0.000 0.932 262 K CB 0.037 32.446 32.500 -0.152 0.000 0.717 262 K HN 0.127 nan 8.250 nan 0.000 0.441 263 K N -1.321 119.110 120.400 0.052 0.000 2.424 263 K HA 0.157 4.478 4.320 0.002 0.000 0.200 263 K C 2.327 179.064 176.600 0.228 0.000 1.279 263 K CA 0.664 56.978 56.287 0.045 0.000 0.918 263 K CB -0.497 32.036 32.500 0.056 0.000 1.287 263 K HN 0.163 nan 8.250 nan 0.000 0.502 264 C N 1.540 121.040 119.300 0.332 0.000 2.413 264 C HA -0.095 4.366 4.460 0.002 0.000 0.277 264 C C 2.515 177.806 174.990 0.503 0.000 1.228 264 C CA 0.677 60.000 59.018 0.507 0.000 1.731 264 C CB -0.845 27.154 27.740 0.432 0.000 2.042 264 C HN 0.347 nan 8.230 nan 0.000 0.468 265 F N 1.984 122.115 119.950 0.301 0.000 2.104 265 F HA 0.185 4.713 4.527 0.001 0.000 0.288 265 F C 2.413 178.452 175.800 0.398 0.000 1.107 265 F CA 1.274 59.480 58.000 0.343 0.000 1.208 265 F CB -1.265 37.969 39.000 0.390 0.000 1.033 265 F HN 0.131 nan 8.300 nan 0.000 0.478 266 A N 0.149 123.328 122.820 0.599 0.000 2.024 266 A HA -0.084 4.237 4.320 0.002 0.000 0.220 266 A C 2.210 180.152 177.584 0.596 0.000 1.164 266 A CA 1.990 54.376 52.037 0.580 0.000 0.643 266 A CB -0.729 18.387 19.000 0.193 0.000 0.806 266 A HN 0.508 nan 8.150 nan 0.000 0.451 267 L N -2.892 118.549 121.223 0.364 0.000 2.519 267 L HA 0.132 4.473 4.340 0.002 0.000 0.194 267 L C 2.686 179.706 176.870 0.249 0.000 1.072 267 L CA 0.150 55.148 54.840 0.264 0.000 0.845 267 L CB -0.405 41.680 42.059 0.044 0.000 1.138 267 L HN 0.174 nan 8.230 nan 0.000 0.487 268 R N 0.425 121.054 120.500 0.214 0.000 2.061 268 R HA -0.044 4.297 4.340 0.002 0.000 0.230 268 R C 2.184 178.589 176.300 0.175 0.000 1.140 268 R CA 1.154 57.331 56.100 0.128 0.000 0.940 268 R CB -0.220 29.988 30.300 -0.154 0.000 0.839 268 R HN 0.169 nan 8.270 nan 0.000 0.429 269 I N 1.093 121.796 120.570 0.222 0.000 2.202 269 I HA -0.185 3.986 4.170 0.002 0.000 0.242 269 I C 2.581 178.765 176.117 0.113 0.000 1.091 269 I CA 1.344 62.728 61.300 0.140 0.000 1.368 269 I CB -1.350 36.687 38.000 0.061 0.000 1.058 269 I HN 0.180 nan 8.210 nan 0.000 0.410 270 A N 1.092 124.059 122.820 0.246 0.000 1.933 270 A HA -0.204 4.117 4.320 0.002 0.000 0.218 270 A C 2.538 180.002 177.584 -0.201 0.000 1.175 270 A CA 2.246 54.343 52.037 0.100 0.000 0.628 270 A CB -0.792 18.363 19.000 0.258 0.000 0.814 270 A HN 0.572 nan 8.150 nan 0.000 0.444 271 S N 0.100 115.806 115.700 0.011 0.000 2.382 271 S HA -0.226 4.245 4.470 0.002 0.000 0.228 271 S C 1.996 176.546 174.600 -0.084 0.000 1.027 271 S CA 1.454 59.697 58.200 0.072 0.000 0.991 271 S CB -0.380 63.062 63.200 0.403 0.000 0.823 271 S HN 0.570 nan 8.310 nan 0.000 0.469 272 R N 1.526 121.955 120.500 -0.119 0.000 2.066 272 R HA 0.149 4.490 4.340 0.002 0.000 0.232 272 R C 2.342 178.357 176.300 -0.474 0.000 1.131 272 R CA 1.872 57.711 56.100 -0.436 0.000 0.955 272 R CB -0.883 29.297 30.300 -0.200 0.000 0.851 272 R HN 0.512 nan 8.270 nan 0.000 0.432 273 M N 0.055 119.443 119.600 -0.354 0.000 2.082 273 M HA -0.168 4.313 4.480 0.002 0.000 0.258 273 M C 2.339 178.258 176.300 -0.636 0.000 1.069 273 M CA 2.187 57.292 55.300 -0.325 0.000 1.102 273 M CB -0.523 32.018 32.600 -0.098 0.000 1.336 273 M HN 0.380 nan 8.290 nan 0.000 0.404 274 A N -0.413 121.677 122.820 -1.217 0.000 1.908 274 A HA -0.243 4.078 4.320 0.002 0.000 0.218 274 A C 2.115 179.115 177.584 -0.972 0.000 1.181 274 A CA 1.837 52.804 52.037 -1.783 0.000 0.627 274 A CB -0.901 17.120 19.000 -1.633 0.000 0.818 274 A HN 0.585 nan 8.150 nan 0.000 0.445 275 Q N -0.563 118.686 119.800 -0.918 0.000 2.124 275 Q HA -0.216 4.125 4.340 0.002 0.000 0.202 275 Q C 2.081 177.682 176.000 -0.666 0.000 0.977 275 Q CA 1.896 57.024 55.803 -1.125 0.000 0.850 275 Q CB -0.140 27.973 28.738 -1.043 0.000 0.901 275 Q HN 0.838 nan 8.270 nan 0.000 0.429 276 Q N -0.626 118.876 119.800 -0.496 0.000 2.245 276 Q HA -0.089 4.252 4.340 0.002 0.000 0.201 276 Q C 1.225 177.125 176.000 -0.168 0.000 0.955 276 Q CA 0.870 56.503 55.803 -0.284 0.000 0.870 276 Q CB 0.308 28.906 28.738 -0.232 0.000 0.945 276 Q HN 0.415 nan 8.270 nan 0.000 0.461 277 Q N -1.116 118.585 119.800 -0.165 0.000 2.217 277 Q HA 0.200 4.541 4.340 0.002 0.000 0.217 277 Q C 0.159 176.256 176.000 0.161 0.000 0.844 277 Q CA 0.250 56.082 55.803 0.048 0.000 0.957 277 Q CB 1.526 30.416 28.738 0.253 0.000 1.127 277 Q HN 0.405 nan 8.270 nan 0.000 0.503 278 G N 1.462 110.295 108.800 0.056 0.000 2.212 278 G HA2 -0.185 3.776 3.960 0.002 0.000 0.255 278 G HA3 -0.185 3.776 3.960 0.002 0.000 0.255 278 G C -0.412 174.673 174.900 0.309 0.000 1.062 278 G CA 0.401 45.614 45.100 0.188 0.000 0.815 278 G HN 0.347 nan 8.290 nan 0.000 0.497 279 W N -1.642 119.705 121.300 0.079 0.000 3.429 279 W HA 0.827 5.488 4.660 0.002 0.000 0.355 279 W C -0.979 175.583 176.519 0.073 0.000 1.131 279 W CA -1.624 55.741 57.345 0.032 0.000 1.031 279 W CB 0.849 30.292 29.460 -0.029 0.000 1.534 279 W HN 0.179 nan 8.180 nan 0.000 0.605 280 L N 1.427 122.809 121.223 0.265 0.000 2.436 280 L HA 0.690 5.031 4.340 0.002 0.000 0.268 280 L C -0.473 176.566 176.870 0.283 0.000 0.974 280 L CA -0.959 53.943 54.840 0.104 0.000 0.826 280 L CB 1.866 43.922 42.059 -0.006 0.000 1.291 280 L HN 0.566 nan 8.230 nan 0.000 0.406 281 A N 2.689 125.605 122.820 0.160 0.000 2.285 281 A HA 0.797 5.118 4.320 0.002 0.000 0.310 281 A C -0.785 177.096 177.584 0.495 0.000 1.266 281 A CA -0.499 51.734 52.037 0.327 0.000 0.832 281 A CB 0.733 19.738 19.000 0.009 0.000 1.163 281 A HN 0.588 nan 8.150 nan 0.000 0.499 282 E N 0.782 121.332 120.200 0.583 0.000 2.343 282 E HA 0.198 4.549 4.350 0.002 0.000 0.270 282 E C -1.043 175.852 176.600 0.493 0.000 0.895 282 E CA -0.574 56.171 56.400 0.575 0.000 0.767 282 E CB 1.582 31.673 29.700 0.652 0.000 1.248 282 E HN 0.778 nan 8.360 nan 0.000 0.440 283 H N 2.740 121.996 119.070 0.310 0.000 2.923 283 H HA 0.311 4.868 4.556 0.001 0.000 0.251 283 H C -0.706 174.769 175.328 0.244 0.000 1.741 283 H CA -0.004 56.161 56.048 0.196 0.000 1.387 283 H CB -0.077 29.771 29.762 0.143 0.000 1.740 283 H HN 0.210 nan 8.280 nan 0.000 0.544 284 M N 4.424 124.189 119.600 0.275 0.000 2.386 284 M HA 0.158 4.639 4.480 0.002 0.000 0.293 284 M C -0.841 175.578 176.300 0.198 0.000 1.120 284 M CA -1.282 54.148 55.300 0.218 0.000 0.909 284 M CB 2.604 35.371 32.600 0.279 0.000 1.661 284 M HN 0.301 nan 8.290 nan 0.000 0.452 285 L N 1.468 122.799 121.223 0.180 0.000 2.472 285 L HA 0.674 5.015 4.340 0.002 0.000 0.260 285 L C -0.897 176.093 176.870 0.200 0.000 1.209 285 L CA 0.159 55.108 54.840 0.182 0.000 0.817 285 L CB 0.146 42.303 42.059 0.162 0.000 1.106 285 L HN 0.570 nan 8.230 nan 0.000 0.479 286 I N 2.330 123.024 120.570 0.206 0.000 2.499 286 I HA 0.489 4.660 4.170 0.002 0.000 0.288 286 I C -1.023 175.246 176.117 0.254 0.000 1.048 286 I CA -0.683 60.753 61.300 0.226 0.000 1.062 286 I CB 1.807 39.933 38.000 0.209 0.000 1.238 286 I HN 0.634 nan 8.210 nan 0.000 0.426 287 L N 3.547 124.934 121.223 0.273 0.000 2.350 287 L HA 1.017 5.358 4.340 0.002 0.000 0.260 287 L C -0.089 176.965 176.870 0.307 0.000 1.015 287 L CA -0.636 54.368 54.840 0.273 0.000 0.821 287 L CB 1.383 43.554 42.059 0.187 0.000 1.370 287 L HN 0.504 nan 8.230 nan 0.000 0.416 288 G N 0.659 109.598 108.800 0.231 0.000 2.343 288 G HA2 0.621 4.582 3.960 0.002 0.000 0.319 288 G HA3 0.621 4.582 3.960 0.002 0.000 0.319 288 G C -1.115 173.818 174.900 0.055 0.000 1.126 288 G CA -0.606 44.444 45.100 -0.084 0.000 0.889 288 G HN 0.539 nan 8.290 nan 0.000 0.457 289 V N 2.132 122.084 119.914 0.063 0.000 2.384 289 V HA 0.500 4.621 4.120 0.002 0.000 0.287 289 V C 0.044 176.278 176.094 0.234 0.000 1.020 289 V CA -0.570 61.862 62.300 0.220 0.000 0.850 289 V CB 1.694 33.737 31.823 0.366 0.000 0.987 289 V HN 0.759 nan 8.190 nan 0.000 0.436 290 T N 3.419 118.054 114.554 0.135 0.000 2.770 290 T HA 0.403 4.754 4.350 0.002 0.000 0.283 290 T C 0.263 174.739 174.700 -0.373 0.000 0.988 290 T CA -0.426 61.659 62.100 -0.025 0.000 0.957 290 T CB 1.366 70.237 68.868 0.005 0.000 0.930 290 T HN 0.860 nan 8.240 nan 0.000 0.443 291 S N 3.480 118.676 115.700 -0.841 0.000 2.600 291 S HA 0.255 4.726 4.470 0.002 0.000 0.265 291 S C -1.774 172.220 174.600 -1.010 0.000 1.325 291 S CA -1.146 56.034 58.200 -1.701 0.000 1.002 291 S CB 0.520 62.757 63.200 -1.604 0.000 0.921 291 S HN 0.295 nan 8.310 nan 0.000 0.554 292 P HA -0.115 nan 4.420 nan 0.000 0.218 292 P C 1.491 178.595 177.300 -0.327 0.000 1.146 292 P CA 1.569 64.349 63.100 -0.534 0.000 0.813 292 P CB -0.187 31.252 31.700 -0.435 0.000 0.778 293 S N -2.198 113.306 115.700 -0.326 0.000 2.522 293 S HA 0.188 4.659 4.470 0.002 0.000 0.227 293 S C 1.717 176.237 174.600 -0.133 0.000 0.986 293 S CA 0.766 58.861 58.200 -0.176 0.000 0.929 293 S CB -1.056 62.069 63.200 -0.125 0.000 0.769 293 S HN 0.287 nan 8.310 nan 0.000 0.529 294 G N 0.799 109.497 108.800 -0.171 0.000 2.194 294 G HA2 -0.271 3.690 3.960 0.002 0.000 0.236 294 G HA3 -0.271 3.690 3.960 0.002 0.000 0.236 294 G C -0.169 174.705 174.900 -0.043 0.000 0.987 294 G CA 0.124 45.165 45.100 -0.098 0.000 0.635 294 G HN 0.738 nan 8.290 nan 0.000 0.520 295 E N 0.835 121.028 120.200 -0.011 0.000 2.376 295 E HA 0.444 4.795 4.350 0.002 0.000 0.266 295 E C 0.156 176.879 176.600 0.204 0.000 1.009 295 E CA -0.130 56.340 56.400 0.116 0.000 0.902 295 E CB 0.324 30.155 29.700 0.217 0.000 0.972 295 E HN 0.359 nan 8.360 nan 0.000 0.439 296 K N 3.967 124.444 120.400 0.128 0.000 2.244 296 K HA 0.350 4.671 4.320 0.002 0.000 0.260 296 K C -1.036 175.568 176.600 0.007 0.000 0.951 296 K CA -0.786 55.548 56.287 0.078 0.000 0.826 296 K CB 0.940 33.393 32.500 -0.078 0.000 1.108 296 K HN 0.352 nan 8.250 nan 0.000 0.433 297 R N 3.179 123.687 120.500 0.014 0.000 2.686 297 R HA 0.304 4.645 4.340 0.002 0.000 0.286 297 R C -1.228 175.005 176.300 -0.112 0.000 0.969 297 R CA -0.769 55.279 56.100 -0.087 0.000 0.898 297 R CB 1.130 31.271 30.300 -0.265 0.000 1.183 297 R HN 0.591 nan 8.270 nan 0.000 0.456 298 Y N 1.747 122.103 120.300 0.093 0.000 2.352 298 Y HA 0.535 5.086 4.550 0.001 0.000 0.326 298 Y C 0.718 176.682 175.900 0.106 0.000 1.166 298 Y CA -0.441 57.729 58.100 0.115 0.000 1.182 298 Y CB 1.604 40.127 38.460 0.104 0.000 1.216 298 Y HN 0.247 nan 8.280 nan 0.000 0.474 299 M N 2.275 122.040 119.600 0.276 0.000 2.446 299 M HA 0.726 5.207 4.480 0.002 0.000 0.294 299 M C -1.064 175.358 176.300 0.204 0.000 1.158 299 M CA -0.945 54.473 55.300 0.196 0.000 0.899 299 M CB 2.469 35.151 32.600 0.137 0.000 1.687 299 M HN 0.672 nan 8.290 nan 0.000 0.455 300 A N 1.859 124.783 122.820 0.174 0.000 2.340 300 A HA 0.992 5.313 4.320 0.002 0.000 0.331 300 A C -1.004 176.647 177.584 0.112 0.000 1.140 300 A CA -0.607 51.533 52.037 0.172 0.000 0.801 300 A CB 1.245 20.364 19.000 0.199 0.000 1.234 300 A HN 0.937 nan 8.150 nan 0.000 0.469 301 A N 0.811 123.716 122.820 0.142 0.000 2.408 301 A HA 0.753 5.074 4.320 0.002 0.000 0.295 301 A C -0.289 177.372 177.584 0.127 0.000 1.040 301 A CA 0.137 52.233 52.037 0.098 0.000 0.707 301 A CB 1.138 20.327 19.000 0.314 0.000 1.235 301 A HN 2.222 nan 8.150 nan 0.000 0.418 302 A N 2.021 124.815 122.820 -0.042 0.000 2.249 302 A HA 0.781 5.102 4.320 0.002 0.000 0.314 302 A C -1.139 176.342 177.584 -0.172 0.000 1.290 302 A CA -0.184 51.867 52.037 0.025 0.000 0.893 302 A CB -0.129 18.976 19.000 0.174 0.000 1.165 302 A HN 0.693 nan 8.150 nan 0.000 0.530 303 F N 4.072 123.988 119.950 -0.058 0.000 2.507 303 F HA 0.519 5.047 4.527 0.001 0.000 0.325 303 F C -1.876 173.902 175.800 -0.038 0.000 1.116 303 F CA -1.883 56.086 58.000 -0.051 0.000 0.930 303 F CB 2.551 41.533 39.000 -0.031 0.000 1.146 303 F HN 0.422 nan 8.300 nan 0.000 0.447 304 P HA 0.140 nan 4.420 nan 0.000 0.275 304 P C -0.624 176.760 177.300 0.139 0.000 1.266 304 P CA -0.452 62.730 63.100 0.137 0.000 0.793 304 P CB 0.620 32.359 31.700 0.065 0.000 1.074 305 S N -1.252 114.521 115.700 0.121 0.000 2.573 305 S HA 0.338 4.809 4.470 0.002 0.000 0.277 305 S C 0.836 175.445 174.600 0.015 0.000 1.346 305 S CA 0.098 58.347 58.200 0.082 0.000 1.034 305 S CB -0.617 62.630 63.200 0.080 0.000 0.879 305 S HN 0.840 nan 8.310 nan 0.000 0.528 306 A N -0.027 122.785 122.820 -0.013 0.000 2.905 306 A HA -0.169 4.152 4.320 0.002 0.000 0.260 306 A C 0.975 178.475 177.584 -0.140 0.000 1.398 306 A CA 0.484 52.476 52.037 -0.075 0.000 0.840 306 A CB -2.520 16.420 19.000 -0.100 0.000 1.059 306 A HN 1.059 nan 8.150 nan 0.000 0.647 307 C N -1.076 118.212 119.300 -0.019 0.000 3.183 307 C HA 0.543 5.004 4.460 0.002 0.000 0.285 307 C C 1.916 177.010 174.990 0.173 0.000 1.313 307 C CA 0.490 59.582 59.018 0.123 0.000 1.711 307 C CB -0.562 27.393 27.740 0.359 0.000 2.135 307 C HN 2.458 nan 8.230 nan 0.000 0.651 308 G N 2.175 110.979 108.800 0.006 0.000 2.248 308 G HA2 -0.268 3.693 3.960 0.002 0.000 0.263 308 G HA3 -0.268 3.693 3.960 0.002 0.000 0.263 308 G C 0.766 175.512 174.900 -0.256 0.000 1.082 308 G CA 0.668 45.715 45.100 -0.090 0.000 0.863 308 G HN 0.565 nan 8.290 nan 0.000 0.495 309 K N -0.717 119.530 120.400 -0.255 0.000 2.002 309 K HA -0.096 4.225 4.320 0.002 0.000 0.209 309 K C 2.568 179.071 176.600 -0.162 0.000 1.048 309 K CA 2.055 58.169 56.287 -0.288 0.000 0.930 309 K CB -0.281 32.163 32.500 -0.093 0.000 0.714 309 K HN 0.330 nan 8.250 nan 0.000 0.438 310 T N 1.634 116.128 114.554 -0.100 0.000 2.788 310 T HA -0.083 4.268 4.350 0.002 0.000 0.268 310 T C 1.484 176.121 174.700 -0.104 0.000 1.044 310 T CA 1.402 63.450 62.100 -0.085 0.000 1.139 310 T CB -0.336 68.494 68.868 -0.063 0.000 0.867 310 T HN 0.369 nan 8.240 nan 0.000 0.454 311 N N 1.105 119.743 118.700 -0.103 0.000 2.120 311 N HA -0.071 4.670 4.740 0.002 0.000 0.188 311 N C 1.863 177.297 175.510 -0.127 0.000 1.024 311 N CA 0.924 53.919 53.050 -0.090 0.000 0.852 311 N CB -0.284 38.154 38.487 -0.083 0.000 1.003 311 N HN 0.230 nan 8.380 nan 0.000 0.424 312 L N 1.550 122.671 121.223 -0.170 0.000 2.027 312 L HA 0.010 4.351 4.340 0.002 0.000 0.206 312 L C 2.341 179.172 176.870 -0.065 0.000 1.074 312 L CA 1.338 56.094 54.840 -0.140 0.000 0.745 312 L CB -0.667 41.300 42.059 -0.153 0.000 0.898 312 L HN 0.062 nan 8.230 nan 0.000 0.433 313 A N 0.035 122.824 122.820 -0.052 0.000 2.019 313 A HA -0.123 4.198 4.320 0.002 0.000 0.219 313 A C 1.767 179.336 177.584 -0.026 0.000 1.164 313 A CA 1.823 53.860 52.037 0.000 0.000 0.644 313 A CB -0.648 18.365 19.000 0.021 0.000 0.805 313 A HN 0.627 nan 8.150 nan 0.000 0.449 314 M N -0.895 118.655 119.600 -0.084 0.000 3.004 314 M HA 0.456 4.937 4.480 0.002 0.000 0.365 314 M C -0.076 176.163 176.300 -0.101 0.000 1.317 314 M CA -0.495 54.742 55.300 -0.104 0.000 0.821 314 M CB -0.208 32.289 32.600 -0.173 0.000 1.387 314 M HN 0.335 nan 8.290 nan 0.000 0.501 315 M N 0.241 119.788 119.600 -0.088 0.000 2.243 315 M HA 0.402 4.883 4.480 0.002 0.000 0.341 315 M C -0.769 175.470 176.300 -0.100 0.000 1.130 315 M CA 0.752 55.995 55.300 -0.094 0.000 1.162 315 M CB 0.751 33.285 32.600 -0.109 0.000 1.497 315 M HN 0.168 nan 8.290 nan 0.000 0.456 316 T N 4.500 118.990 114.554 -0.106 0.000 2.727 316 T HA 0.427 4.778 4.350 0.002 0.000 0.298 316 T C -2.297 172.329 174.700 -0.123 0.000 0.942 316 T CA -0.980 61.053 62.100 -0.111 0.000 0.997 316 T CB 0.119 68.919 68.868 -0.112 0.000 0.917 316 T HN 0.559 nan 8.240 nan 0.000 0.487 317 P HA 0.246 nan 4.420 nan 0.000 0.272 317 P C -0.287 176.930 177.300 -0.139 0.000 1.223 317 P CA -0.503 62.531 63.100 -0.111 0.000 0.784 317 P CB 0.682 32.358 31.700 -0.040 0.000 0.923 318 S N 1.258 116.835 115.700 -0.205 0.000 2.481 318 S HA 0.324 4.795 4.470 0.002 0.000 0.243 318 S C 0.087 174.630 174.600 -0.095 0.000 1.152 318 S CA -0.282 57.775 58.200 -0.239 0.000 1.168 318 S CB -0.645 62.180 63.200 -0.624 0.000 0.835 318 S HN 0.345 nan 8.310 nan 0.000 0.474 319 L N 2.692 123.897 121.223 -0.031 0.000 2.406 319 L HA 0.423 4.764 4.340 0.002 0.000 0.270 319 L C -2.754 174.205 176.870 0.147 0.000 0.982 319 L CA -2.333 52.534 54.840 0.046 0.000 0.843 319 L CB 2.326 44.353 42.059 -0.053 0.000 1.225 319 L HN 0.020 nan 8.230 nan 0.000 0.412 320 P HA 0.111 nan 4.420 nan 0.000 0.262 320 P C 0.741 178.128 177.300 0.144 0.000 1.182 320 P CA 0.807 63.966 63.100 0.099 0.000 0.761 320 P CB 0.773 32.513 31.700 0.067 0.000 0.795 321 G N 0.827 109.664 108.800 0.062 0.000 2.234 321 G HA2 -0.209 3.752 3.960 0.002 0.000 0.235 321 G HA3 -0.209 3.752 3.960 0.002 0.000 0.235 321 G C -0.458 174.357 174.900 -0.142 0.000 0.997 321 G CA -0.649 44.419 45.100 -0.053 0.000 0.623 321 G HN 0.395 nan 8.290 nan 0.000 0.514 322 W N 1.502 122.752 121.300 -0.085 0.000 2.376 322 W HA 0.811 5.472 4.660 0.002 0.000 0.322 322 W C 0.847 177.312 176.519 -0.091 0.000 1.160 322 W CA -0.620 56.660 57.345 -0.109 0.000 1.218 322 W CB 0.754 30.144 29.460 -0.117 0.000 1.205 322 W HN 0.084 nan 8.180 nan 0.000 0.559 323 R N 2.872 123.442 120.500 0.116 0.000 2.740 323 R HA 0.629 4.970 4.340 0.002 0.000 0.282 323 R C -0.971 175.359 176.300 0.049 0.000 0.969 323 R CA -1.103 55.018 56.100 0.035 0.000 0.918 323 R CB 2.001 32.311 30.300 0.017 0.000 1.175 323 R HN 0.244 nan 8.270 nan 0.000 0.464 324 I N 2.563 123.091 120.570 -0.071 0.000 2.436 324 I HA 0.334 4.505 4.170 0.002 0.000 0.289 324 I C -0.479 175.513 176.117 -0.209 0.000 1.010 324 I CA -0.701 60.575 61.300 -0.040 0.000 1.098 324 I CB 1.622 39.605 38.000 -0.029 0.000 1.266 324 I HN 0.620 nan 8.210 nan 0.000 0.434 325 H N 3.022 122.128 119.070 0.060 0.000 2.679 325 H HA 0.403 4.960 4.556 0.002 0.000 0.367 325 H C -0.587 174.813 175.328 0.120 0.000 1.162 325 H CA -0.283 55.815 56.048 0.083 0.000 1.181 325 H CB 2.162 31.988 29.762 0.108 0.000 1.693 325 H HN 0.633 nan 8.280 nan 0.000 0.538 326 C N 3.565 123.005 119.300 0.233 0.000 2.307 326 C HA 0.351 4.812 4.460 0.002 0.000 0.340 326 C C 1.348 176.501 174.990 0.271 0.000 1.275 326 C CA -0.215 58.927 59.018 0.207 0.000 1.811 326 C CB -1.042 26.780 27.740 0.137 0.000 2.372 326 C HN 0.749 nan 8.230 nan 0.000 0.531 327 V N 5.251 125.346 119.914 0.301 0.000 2.581 327 V HA 0.389 4.510 4.120 0.002 0.000 0.240 327 V C 1.391 177.661 176.094 0.293 0.000 1.054 327 V CA 1.383 63.882 62.300 0.332 0.000 1.076 327 V CB -0.270 31.726 31.823 0.289 0.000 0.748 327 V HN 1.041 nan 8.190 nan 0.000 0.474 328 G N -0.119 108.833 108.800 0.253 0.000 2.677 328 G HA2 0.490 4.451 3.960 0.002 0.000 0.291 328 G HA3 0.490 4.451 3.960 0.002 0.000 0.291 328 G C -1.126 173.928 174.900 0.256 0.000 1.435 328 G CA 0.421 45.666 45.100 0.241 0.000 0.826 328 G HN 0.143 nan 8.290 nan 0.000 0.491 329 D N -1.208 119.371 120.400 0.298 0.000 2.535 329 D HA 0.211 4.852 4.640 0.002 0.000 0.229 329 D C 0.196 176.604 176.300 0.181 0.000 1.238 329 D CA 0.038 54.171 54.000 0.222 0.000 0.824 329 D CB 1.258 42.171 40.800 0.188 0.000 1.045 329 D HN 0.319 nan 8.370 nan 0.000 0.500 330 D N -0.787 119.723 120.400 0.184 0.000 2.315 330 D HA 0.174 4.815 4.640 0.002 0.000 0.272 330 D C -0.375 176.062 176.300 0.229 0.000 1.238 330 D CA 0.194 54.308 54.000 0.189 0.000 1.160 330 D CB 0.855 41.768 40.800 0.189 0.000 1.780 330 D HN -0.027 nan 8.370 nan 0.000 0.484 331 I N 1.743 122.416 120.570 0.171 0.000 2.509 331 I HA 0.727 4.898 4.170 0.002 0.000 0.293 331 I C -0.532 175.688 176.117 0.172 0.000 1.020 331 I CA -1.131 60.279 61.300 0.183 0.000 1.088 331 I CB 1.181 39.222 38.000 0.069 0.000 1.267 331 I HN 0.116 nan 8.210 nan 0.000 0.430 332 A N 5.704 128.703 122.820 0.299 0.000 2.356 332 A HA 0.751 5.072 4.320 0.002 0.000 0.310 332 A C -1.936 175.990 177.584 0.571 0.000 1.075 332 A CA -0.433 51.794 52.037 0.318 0.000 0.746 332 A CB 1.052 20.235 19.000 0.305 0.000 1.221 332 A HN 0.584 nan 8.150 nan 0.000 0.443 333 W N 2.160 123.582 121.300 0.202 0.000 2.417 333 W HA 0.709 5.370 4.660 0.001 0.000 0.315 333 W C -0.307 176.313 176.519 0.167 0.000 1.045 333 W CA -1.000 56.505 57.345 0.265 0.000 1.221 333 W CB 1.251 30.808 29.460 0.162 0.000 1.309 333 W HN 0.536 nan 8.180 nan 0.000 0.453 334 M N 3.767 123.614 119.600 0.412 0.000 2.457 334 M HA 0.501 4.982 4.480 0.002 0.000 0.300 334 M C -0.268 176.110 176.300 0.131 0.000 1.141 334 M CA -1.021 54.386 55.300 0.180 0.000 0.901 334 M CB 2.945 35.610 32.600 0.109 0.000 1.687 334 M HN 0.018 nan 8.290 nan 0.000 0.449 335 K N 2.217 122.605 120.400 -0.020 0.000 2.550 335 K HA 0.471 4.792 4.320 0.002 0.000 0.252 335 K C -1.973 174.572 176.600 -0.093 0.000 0.943 335 K CA -0.346 55.943 56.287 0.003 0.000 0.806 335 K CB 1.865 34.365 32.500 0.000 0.000 1.289 335 K HN 0.554 nan 8.250 nan 0.000 0.435 336 F N 3.149 123.116 119.950 0.029 0.000 2.484 336 F HA 0.044 4.572 4.527 0.001 0.000 0.360 336 F C 1.482 177.279 175.800 -0.005 0.000 1.101 336 F CA 0.322 58.321 58.000 -0.002 0.000 1.251 336 F CB 0.552 39.533 39.000 -0.033 0.000 1.132 336 F HN 0.505 nan 8.300 nan 0.000 0.570 337 D N 0.690 121.194 120.400 0.174 0.000 2.511 337 D HA 0.110 4.751 4.640 0.002 0.000 0.276 337 D C 0.580 176.928 176.300 0.081 0.000 1.220 337 D CA -0.433 53.621 54.000 0.089 0.000 1.077 337 D CB 0.271 41.098 40.800 0.045 0.000 1.126 337 D HN 0.347 nan 8.370 nan 0.000 0.583 338 D N -0.839 119.586 120.400 0.043 0.000 2.190 338 D HA -0.144 4.497 4.640 0.002 0.000 0.200 338 D C 1.138 177.453 176.300 0.024 0.000 0.992 338 D CA 1.221 55.237 54.000 0.026 0.000 0.854 338 D CB -0.039 40.768 40.800 0.013 0.000 0.936 338 D HN 0.557 nan 8.370 nan 0.000 0.462 339 E N -0.935 119.287 120.200 0.036 0.000 2.489 339 E HA 0.224 4.575 4.350 0.002 0.000 0.193 339 E C 1.174 177.801 176.600 0.045 0.000 1.057 339 E CA 0.322 56.742 56.400 0.032 0.000 0.866 339 E CB 0.413 30.133 29.700 0.033 0.000 0.916 339 E HN 0.273 nan 8.360 nan 0.000 0.500 340 G N 2.291 111.133 108.800 0.070 0.000 2.159 340 G HA2 -0.322 3.639 3.960 0.002 0.000 0.256 340 G HA3 -0.322 3.639 3.960 0.002 0.000 0.256 340 G C 0.133 175.190 174.900 0.261 0.000 0.977 340 G CA -0.086 45.066 45.100 0.087 0.000 0.652 340 G HN 0.165 nan 8.290 nan 0.000 0.531 341 R N -0.526 120.107 120.500 0.222 0.000 2.349 341 R HA 0.522 4.863 4.340 0.002 0.000 0.299 341 R C -0.059 176.323 176.300 0.138 0.000 1.027 341 R CA -0.910 55.306 56.100 0.192 0.000 0.958 341 R CB 1.344 31.702 30.300 0.096 0.000 1.047 341 R HN 0.164 nan 8.270 nan 0.000 0.468 342 L N 4.293 125.500 121.223 -0.026 0.000 2.407 342 L HA 0.121 4.462 4.340 0.002 0.000 0.282 342 L C -0.138 176.638 176.870 -0.157 0.000 1.110 342 L CA 0.437 55.043 54.840 -0.391 0.000 0.863 342 L CB 0.072 41.803 42.059 -0.547 0.000 1.207 342 L HN 0.351 nan 8.230 nan 0.000 0.454 343 R N 4.483 124.904 120.500 -0.132 0.000 2.368 343 R HA 0.740 5.081 4.340 0.002 0.000 0.302 343 R C -0.669 175.602 176.300 -0.049 0.000 1.002 343 R CA -0.442 55.614 56.100 -0.073 0.000 0.929 343 R CB 1.516 31.781 30.300 -0.057 0.000 1.073 343 R HN 0.713 nan 8.270 nan 0.000 0.464 344 A N 4.027 126.825 122.820 -0.037 0.000 2.365 344 A HA 0.688 5.009 4.320 0.002 0.000 0.318 344 A C -0.142 177.439 177.584 -0.004 0.000 1.091 344 A CA -0.862 51.190 52.037 0.025 0.000 0.763 344 A CB 0.978 20.018 19.000 0.067 0.000 1.248 344 A HN 0.783 nan 8.150 nan 0.000 0.442 345 I N -0.573 120.021 120.570 0.040 0.000 2.797 345 I HA 0.618 4.789 4.170 0.002 0.000 0.307 345 I C -0.378 175.734 176.117 -0.007 0.000 1.033 345 I CA -0.993 60.298 61.300 -0.014 0.000 1.071 345 I CB 2.064 40.029 38.000 -0.059 0.000 1.255 345 I HN 0.496 nan 8.210 nan 0.000 0.445 346 N N 5.508 124.191 118.700 -0.028 0.000 2.406 346 N HA 0.357 5.098 4.740 0.002 0.000 0.251 346 N C -1.807 173.580 175.510 -0.205 0.000 1.069 346 N CA -2.605 50.418 53.050 -0.046 0.000 0.947 346 N CB 0.956 39.503 38.487 0.100 0.000 1.111 346 N HN 0.463 nan 8.380 nan 0.000 0.497 347 P HA 0.014 nan 4.420 nan 0.000 0.242 347 P C -0.582 176.452 177.300 -0.443 0.000 1.197 347 P CA 0.729 63.404 63.100 -0.708 0.000 0.765 347 P CB 0.439 31.166 31.700 -1.621 0.000 0.936 348 E N -0.313 119.732 120.200 -0.258 0.000 2.232 348 E HA 0.373 4.724 4.350 0.002 0.000 0.264 348 E C 0.404 176.973 176.600 -0.051 0.000 0.973 348 E CA -0.813 55.487 56.400 -0.167 0.000 0.849 348 E CB 1.763 31.374 29.700 -0.147 0.000 1.198 348 E HN -0.145 nan 8.360 nan 0.000 0.407 349 R N -0.073 120.394 120.500 -0.055 0.000 2.476 349 R HA 0.226 4.567 4.340 0.002 0.000 0.276 349 R C -0.110 176.118 176.300 -0.121 0.000 0.941 349 R CA 0.062 56.195 56.100 0.054 0.000 1.088 349 R CB 0.823 31.141 30.300 0.029 0.000 1.216 349 R HN 0.543 nan 8.270 nan 0.000 0.533 350 G N -0.648 107.991 108.800 -0.268 0.000 2.687 350 G HA2 0.452 4.413 3.960 0.002 0.000 0.291 350 G HA3 0.452 4.413 3.960 0.002 0.000 0.291 350 G C -1.602 173.035 174.900 -0.439 0.000 1.420 350 G CA -0.635 44.240 45.100 -0.375 0.000 0.796 350 G HN -0.005 nan 8.290 nan 0.000 0.485 351 F N -0.151 119.821 119.950 0.037 0.000 2.469 351 F HA 0.621 5.149 4.527 0.001 0.000 0.332 351 F C -0.560 175.323 175.800 0.139 0.000 1.103 351 F CA -1.051 57.006 58.000 0.096 0.000 0.979 351 F CB 2.212 41.310 39.000 0.163 0.000 1.137 351 F HN 0.277 nan 8.300 nan 0.000 0.463 352 F N 2.732 122.724 119.950 0.071 0.000 2.453 352 F HA 0.702 5.230 4.527 0.001 0.000 0.358 352 F C -0.022 175.602 175.800 -0.292 0.000 1.129 352 F CA -0.835 57.091 58.000 -0.125 0.000 1.200 352 F CB 0.368 39.304 39.000 -0.106 0.000 1.431 352 F HN 0.464 nan 8.300 nan 0.000 0.503 353 G N 2.886 111.082 108.800 -1.007 0.000 2.420 353 G HA2 0.519 4.480 3.960 0.002 0.000 0.331 353 G HA3 0.519 4.480 3.960 0.002 0.000 0.331 353 G C -1.179 172.889 174.900 -1.387 0.000 1.168 353 G CA -0.801 43.590 45.100 -1.182 0.000 0.936 353 G HN 0.267 nan 8.290 nan 0.000 0.479 354 V N 1.645 121.103 119.914 -0.760 0.000 2.540 354 V HA 0.251 4.372 4.120 0.002 0.000 0.297 354 V C 1.461 177.202 176.094 -0.589 0.000 1.024 354 V CA 0.723 62.685 62.300 -0.562 0.000 1.105 354 V CB 0.730 32.365 31.823 -0.314 0.000 0.938 354 V HN 0.989 nan 8.190 nan 0.000 0.482 355 A N 7.535 129.982 122.820 -0.621 0.000 1.861 355 A HA 0.203 4.524 4.320 0.002 0.000 0.212 355 A C -1.336 175.599 177.584 -1.082 0.000 1.199 355 A CA 0.498 52.029 52.037 -0.844 0.000 0.613 355 A CB -1.033 17.370 19.000 -0.995 0.000 0.846 355 A HN 0.724 nan 8.150 nan 0.000 0.446 356 P HA 0.272 nan 4.420 nan 0.000 0.266 356 P C 0.857 178.003 177.300 -0.256 0.000 1.195 356 P CA 1.889 64.708 63.100 -0.468 0.000 0.768 356 P CB 0.576 32.133 31.700 -0.238 0.000 0.838 357 G N 1.496 110.267 108.800 -0.049 0.000 2.258 357 G HA2 -0.222 3.739 3.960 0.002 0.000 0.233 357 G HA3 -0.222 3.739 3.960 0.002 0.000 0.233 357 G C 0.259 175.212 174.900 0.087 0.000 1.006 357 G CA 0.041 45.161 45.100 0.034 0.000 0.620 357 G HN 0.597 nan 8.290 nan 0.000 0.511 358 T N 2.190 116.783 114.554 0.065 0.000 2.817 358 T HA 0.526 4.877 4.350 0.002 0.000 0.295 358 T C 0.474 175.371 174.700 0.327 0.000 0.958 358 T CA 1.006 63.204 62.100 0.163 0.000 1.157 358 T CB 1.168 70.098 68.868 0.103 0.000 0.898 358 T HN 1.538 nan 8.240 nan 0.000 0.536 359 S N 1.486 117.274 115.700 0.147 0.000 2.656 359 S HA 0.433 4.904 4.470 0.002 0.000 0.273 359 S C 1.016 175.619 174.600 0.005 0.000 1.168 359 S CA -0.897 57.354 58.200 0.085 0.000 0.817 359 S CB 1.390 64.617 63.200 0.045 0.000 1.146 359 S HN 0.295 nan 8.310 nan 0.000 0.475 360 S N 0.076 115.763 115.700 -0.022 0.000 2.469 360 S HA -0.018 4.453 4.470 0.002 0.000 0.238 360 S C 1.717 176.263 174.600 -0.090 0.000 0.998 360 S CA 1.144 59.312 58.200 -0.054 0.000 0.957 360 S CB -0.453 62.718 63.200 -0.050 0.000 0.764 360 S HN 0.662 nan 8.310 nan 0.000 0.514 361 R N 0.845 121.280 120.500 -0.108 0.000 2.080 361 R HA -0.052 4.289 4.340 0.002 0.000 0.222 361 R C 2.401 178.534 176.300 -0.279 0.000 1.107 361 R CA 1.715 57.703 56.100 -0.188 0.000 0.980 361 R CB -0.332 29.855 30.300 -0.189 0.000 0.879 361 R HN 0.534 nan 8.270 nan 0.000 0.439 362 T N -2.342 112.091 114.554 -0.202 0.000 3.009 362 T HA 0.052 4.403 4.350 0.002 0.000 0.258 362 T C 0.749 175.432 174.700 -0.028 0.000 1.063 362 T CA 0.416 62.426 62.100 -0.150 0.000 1.139 362 T CB 0.155 69.043 68.868 0.032 0.000 0.890 362 T HN 0.053 nan 8.240 nan 0.000 0.471 363 N N 1.271 119.942 118.700 -0.048 0.000 2.946 363 N HA 0.259 5.000 4.740 0.002 0.000 0.213 363 N C -2.610 172.852 175.510 -0.080 0.000 1.440 363 N CA -1.505 51.511 53.050 -0.057 0.000 0.745 363 N CB 1.626 40.086 38.487 -0.046 0.000 1.471 363 N HN 0.011 nan 8.380 nan 0.000 0.569 364 P HA -0.055 nan 4.420 nan 0.000 0.220 364 P C 0.789 178.028 177.300 -0.101 0.000 1.148 364 P CA 0.904 63.953 63.100 -0.086 0.000 0.803 364 P CB 0.622 32.272 31.700 -0.084 0.000 0.782 365 N N 0.334 118.964 118.700 -0.117 0.000 2.188 365 N HA -0.078 4.663 4.740 0.002 0.000 0.184 365 N C 1.895 177.292 175.510 -0.188 0.000 1.018 365 N CA 1.409 54.377 53.050 -0.136 0.000 0.858 365 N CB -0.638 37.766 38.487 -0.138 0.000 0.989 365 N HN 0.116 nan 8.380 nan 0.000 0.426 366 A N 1.587 124.272 122.820 -0.225 0.000 1.898 366 A HA -0.060 4.261 4.320 0.002 0.000 0.216 366 A C 2.250 179.649 177.584 -0.308 0.000 1.181 366 A CA 1.008 52.841 52.037 -0.340 0.000 0.620 366 A CB -0.306 18.488 19.000 -0.343 0.000 0.819 366 A HN 0.082 nan 8.150 nan 0.000 0.442 367 M N -0.169 119.322 119.600 -0.181 0.000 2.106 367 M HA -0.200 4.281 4.480 0.002 0.000 0.259 367 M C 2.468 178.695 176.300 -0.122 0.000 1.068 367 M CA 1.788 57.018 55.300 -0.118 0.000 1.100 367 M CB -1.470 31.091 32.600 -0.064 0.000 1.351 367 M HN 0.503 nan 8.290 nan 0.000 0.404 368 A N -0.309 122.441 122.820 -0.115 0.000 1.930 368 A HA -0.105 4.216 4.320 0.002 0.000 0.217 368 A C 2.287 179.814 177.584 -0.094 0.000 1.175 368 A CA 2.039 54.023 52.037 -0.088 0.000 0.627 368 A CB -1.001 17.956 19.000 -0.072 0.000 0.815 368 A HN 0.501 nan 8.150 nan 0.000 0.443 369 T N 0.929 115.402 114.554 -0.136 0.000 2.746 369 T HA -0.109 4.242 4.350 0.002 0.000 0.267 369 T C 1.634 176.257 174.700 -0.129 0.000 1.039 369 T CA 1.557 63.587 62.100 -0.118 0.000 1.142 369 T CB -0.515 68.262 68.868 -0.150 0.000 0.866 369 T HN 0.732 nan 8.240 nan 0.000 0.444 370 I N -0.856 119.591 120.570 -0.204 0.000 3.812 370 I HA 0.504 4.675 4.170 0.002 0.000 0.320 370 I C 1.965 178.040 176.117 -0.071 0.000 1.276 370 I CA -0.107 61.081 61.300 -0.187 0.000 1.164 370 I CB -0.271 37.543 38.000 -0.311 0.000 1.009 370 I HN 0.037 nan 8.210 nan 0.000 0.431 371 A N 1.164 123.927 122.820 -0.094 0.000 2.218 371 A HA 0.236 4.557 4.320 0.002 0.000 0.209 371 A C 1.102 178.686 177.584 -0.000 0.000 1.168 371 A CA 0.107 52.074 52.037 -0.117 0.000 0.804 371 A CB -0.003 18.957 19.000 -0.067 0.000 0.834 371 A HN 0.554 nan 8.150 nan 0.000 0.482 372 R N -0.407 120.107 120.500 0.024 0.000 2.626 372 R HA 0.284 4.625 4.340 0.002 0.000 0.274 372 R C -0.896 175.447 176.300 0.073 0.000 1.031 372 R CA -0.616 55.525 56.100 0.069 0.000 0.898 372 R CB 0.678 31.008 30.300 0.051 0.000 1.222 372 R HN 0.256 nan 8.270 nan 0.000 0.455 373 N N 0.885 119.657 118.700 0.120 0.000 2.721 373 N HA -0.157 4.584 4.740 0.002 0.000 0.249 373 N C -1.293 174.276 175.510 0.099 0.000 1.072 373 N CA 1.666 54.795 53.050 0.132 0.000 0.710 373 N CB -0.975 37.566 38.487 0.089 0.000 0.993 373 N HN 0.575 nan 8.380 nan 0.000 0.547 374 T N 1.000 115.610 114.554 0.093 0.000 2.829 374 T HA 0.571 4.922 4.350 0.002 0.000 0.280 374 T C 0.492 175.192 174.700 -0.000 0.000 0.999 374 T CA -0.595 61.469 62.100 -0.060 0.000 0.983 374 T CB 1.878 70.574 68.868 -0.287 0.000 0.968 374 T HN -0.018 nan 8.240 nan 0.000 0.446 375 I N 3.418 123.954 120.570 -0.058 0.000 2.321 375 I HA 0.425 4.596 4.170 0.002 0.000 0.291 375 I C -0.560 175.531 176.117 -0.043 0.000 0.998 375 I CA -0.826 60.526 61.300 0.086 0.000 1.227 375 I CB 0.463 38.498 38.000 0.059 0.000 1.368 375 I HN 0.559 nan 8.210 nan 0.000 0.466 376 F N 3.594 123.718 119.950 0.290 0.000 2.443 376 F HA 0.475 5.003 4.527 0.001 0.000 0.335 376 F C 0.635 176.586 175.800 0.252 0.000 1.104 376 F CA -0.420 57.733 58.000 0.256 0.000 1.013 376 F CB 1.927 41.106 39.000 0.299 0.000 1.136 376 F HN 0.269 nan 8.300 nan 0.000 0.470 377 T N 3.131 117.890 114.554 0.341 0.000 2.809 377 T HA 0.251 4.602 4.350 0.002 0.000 0.284 377 T C -0.357 174.450 174.700 0.179 0.000 0.992 377 T CA -0.785 61.467 62.100 0.254 0.000 0.957 377 T CB 0.768 69.752 68.868 0.193 0.000 0.942 377 T HN 0.616 nan 8.240 nan 0.000 0.439 378 N N 0.315 119.130 118.700 0.191 0.000 2.776 378 N HA -0.137 4.604 4.740 0.002 0.000 0.250 378 N C 0.104 175.694 175.510 0.133 0.000 1.112 378 N CA 1.084 54.230 53.050 0.160 0.000 0.733 378 N CB -1.855 36.570 38.487 -0.104 0.000 1.097 378 N HN 0.671 nan 8.380 nan 0.000 0.558 379 V N -3.013 117.032 119.914 0.219 0.000 3.336 379 V HA 0.962 5.083 4.120 0.002 0.000 0.314 379 V C 1.323 177.541 176.094 0.207 0.000 1.088 379 V CA -0.126 62.306 62.300 0.220 0.000 1.033 379 V CB 1.200 33.238 31.823 0.358 0.000 1.181 379 V HN 0.144 nan 8.190 nan 0.000 0.449 380 G N -0.116 108.770 108.800 0.144 0.000 2.537 380 G HA2 0.537 4.497 3.960 0.002 0.000 0.273 380 G HA3 0.537 4.497 3.960 0.002 0.000 0.273 380 G C -1.070 173.910 174.900 0.132 0.000 1.189 380 G CA -0.477 44.693 45.100 0.116 0.000 0.881 380 G HN 1.101 nan 8.290 nan 0.000 0.535 381 L N 0.485 121.785 121.223 0.128 0.000 2.325 381 L HA 0.567 4.908 4.340 0.002 0.000 0.281 381 L C 0.349 177.273 176.870 0.091 0.000 1.004 381 L CA -0.755 54.137 54.840 0.086 0.000 0.823 381 L CB 1.325 43.404 42.059 0.033 0.000 1.236 381 L HN 0.560 nan 8.230 nan 0.000 0.415 382 R N 2.240 122.767 120.500 0.045 0.000 2.500 382 R HA 0.324 4.665 4.340 0.002 0.000 0.275 382 R C 1.171 177.398 176.300 -0.122 0.000 1.051 382 R CA 0.211 56.271 56.100 -0.067 0.000 1.088 382 R CB 0.947 31.193 30.300 -0.091 0.000 1.063 382 R HN 0.826 nan 8.270 nan 0.000 0.511 383 S N -0.063 115.525 115.700 -0.187 0.000 2.507 383 S HA -0.127 4.344 4.470 0.002 0.000 0.235 383 S C 0.943 175.460 174.600 -0.138 0.000 0.988 383 S CA 1.126 59.238 58.200 -0.147 0.000 0.944 383 S CB -0.186 62.918 63.200 -0.159 0.000 0.762 383 S HN 0.762 nan 8.310 nan 0.000 0.526 384 D N 0.223 120.528 120.400 -0.159 0.000 2.342 384 D HA 0.248 4.889 4.640 0.002 0.000 0.221 384 D C 1.317 177.507 176.300 -0.183 0.000 1.101 384 D CA 0.430 54.338 54.000 -0.154 0.000 0.837 384 D CB -0.544 40.164 40.800 -0.153 0.000 0.938 384 D HN 0.517 nan 8.370 nan 0.000 0.508 385 G N -0.774 107.921 108.800 -0.174 0.000 2.159 385 G HA2 -0.160 3.801 3.960 0.002 0.000 0.256 385 G HA3 -0.160 3.801 3.960 0.002 0.000 0.256 385 G C 0.602 175.310 174.900 -0.320 0.000 0.977 385 G CA 0.072 45.047 45.100 -0.208 0.000 0.652 385 G HN 0.806 nan 8.290 nan 0.000 0.531 386 G N -1.265 107.357 108.800 -0.298 0.000 2.568 386 G HA2 0.856 4.817 3.960 0.002 0.000 0.293 386 G HA3 0.856 4.817 3.960 0.002 0.000 0.293 386 G C 0.296 175.175 174.900 -0.034 0.000 1.347 386 G CA 0.286 45.204 45.100 -0.304 0.000 1.039 386 G HN 1.491 nan 8.290 nan 0.000 0.523 387 V N -2.990 116.955 119.914 0.052 0.000 3.093 387 V HA 0.840 4.961 4.120 0.002 0.000 0.320 387 V C -0.997 175.025 176.094 -0.121 0.000 1.093 387 V CA -1.206 61.038 62.300 -0.094 0.000 1.016 387 V CB 1.653 33.249 31.823 -0.379 0.000 1.096 387 V HN 0.757 nan 8.190 nan 0.000 0.452 388 Y N 1.993 122.142 120.300 -0.252 0.000 2.513 388 Y HA 0.765 5.316 4.550 0.001 0.000 0.340 388 Y C -1.478 174.285 175.900 -0.229 0.000 1.055 388 Y CA -1.241 56.644 58.100 -0.358 0.000 1.020 388 Y CB 2.092 40.449 38.460 -0.173 0.000 1.301 388 Y HN 1.084 nan 8.280 nan 0.000 0.453 389 W N 3.035 123.655 121.300 -1.133 0.000 3.074 389 W HA 0.502 5.163 4.660 0.001 0.000 0.332 389 W C -1.531 174.322 176.519 -1.111 0.000 1.253 389 W CA -1.364 55.438 57.345 -0.906 0.000 1.180 389 W CB 0.304 29.515 29.460 -0.414 0.000 1.445 389 W HN 0.567 nan 8.180 nan 0.000 0.573 390 D N 0.588 120.816 120.400 -0.288 0.000 2.531 390 D HA 0.353 4.994 4.640 0.002 0.000 0.239 390 D C 1.309 177.638 176.300 0.048 0.000 1.144 390 D CA 3.043 56.990 54.000 -0.087 0.000 0.869 390 D CB 0.581 41.400 40.800 0.032 0.000 1.160 390 D HN 1.165 nan 8.370 nan 0.000 0.484 391 G N 2.783 111.605 108.800 0.037 0.000 2.213 391 G HA2 -0.262 3.699 3.960 0.002 0.000 0.236 391 G HA3 -0.262 3.699 3.960 0.002 0.000 0.236 391 G C 0.245 175.174 174.900 0.049 0.000 0.991 391 G CA 0.057 45.206 45.100 0.082 0.000 0.629 391 G HN 0.635 nan 8.290 nan 0.000 0.517 392 L N 2.601 123.746 121.223 -0.131 0.000 2.477 392 L HA 0.515 4.856 4.340 0.002 0.000 0.272 392 L C 0.775 177.615 176.870 -0.051 0.000 1.157 392 L CA 0.488 55.175 54.840 -0.255 0.000 0.889 392 L CB 0.679 42.170 42.059 -0.946 0.000 1.158 392 L HN 0.312 nan 8.230 nan 0.000 0.473 393 D N 2.856 123.241 120.400 -0.026 0.000 2.559 393 D HA 0.022 4.663 4.640 0.002 0.000 0.234 393 D C 0.216 176.514 176.300 -0.004 0.000 1.226 393 D CA -0.277 53.725 54.000 0.005 0.000 0.830 393 D CB -0.196 40.602 40.800 -0.003 0.000 1.028 393 D HN 0.638 nan 8.370 nan 0.000 0.492 394 E N 1.753 121.943 120.200 -0.018 0.000 2.366 394 E HA 0.148 4.499 4.350 0.002 0.000 0.266 394 E C -1.991 174.619 176.600 0.017 0.000 1.015 394 E CA -1.634 54.763 56.400 -0.005 0.000 0.906 394 E CB 0.626 30.319 29.700 -0.013 0.000 0.979 394 E HN -0.031 nan 8.360 nan 0.000 0.443 395 P HA -0.011 nan 4.420 nan 0.000 0.264 395 P C -1.020 176.282 177.300 0.003 0.000 1.193 395 P CA 0.244 63.348 63.100 0.006 0.000 0.763 395 P CB 0.657 32.356 31.700 -0.002 0.000 0.810 396 T N -0.848 113.707 114.554 0.001 0.000 2.906 396 T HA 0.570 4.921 4.350 0.002 0.000 0.295 396 T C -0.450 174.231 174.700 -0.031 0.000 1.061 396 T CA -1.090 60.998 62.100 -0.021 0.000 1.000 396 T CB 1.396 70.252 68.868 -0.020 0.000 1.103 396 T HN 0.134 nan 8.240 nan 0.000 0.486 397 E N 1.796 121.965 120.200 -0.051 0.000 2.373 397 E HA 0.487 4.838 4.350 0.002 0.000 0.263 397 E C -2.547 174.019 176.600 -0.057 0.000 1.073 397 E CA -1.860 54.511 56.400 -0.050 0.000 0.894 397 E CB -0.445 29.221 29.700 -0.055 0.000 1.008 397 E HN 0.431 nan 8.360 nan 0.000 0.420 398 P HA 0.098 nan 4.420 nan 0.000 0.267 398 P C 0.541 177.804 177.300 -0.062 0.000 1.200 398 P CA 0.746 63.819 63.100 -0.045 0.000 0.772 398 P CB 0.511 32.191 31.700 -0.034 0.000 0.855 399 G N 0.609 109.369 108.800 -0.067 0.000 2.143 399 G HA2 -0.207 3.754 3.960 0.002 0.000 0.249 399 G HA3 -0.207 3.754 3.960 0.002 0.000 0.249 399 G C 0.110 174.935 174.900 -0.125 0.000 0.981 399 G CA -0.205 44.846 45.100 -0.082 0.000 0.665 399 G HN 0.544 nan 8.290 nan 0.000 0.528 400 V N 1.874 121.687 119.914 -0.168 0.000 2.614 400 V HA 0.599 4.720 4.120 0.002 0.000 0.291 400 V C 1.125 176.960 176.094 -0.432 0.000 1.049 400 V CA 0.753 62.888 62.300 -0.275 0.000 1.038 400 V CB 1.296 32.943 31.823 -0.293 0.000 0.980 400 V HN 0.784 nan 8.190 nan 0.000 0.481 401 T N 2.397 116.679 114.554 -0.452 0.000 2.940 401 T HA 0.746 5.097 4.350 0.002 0.000 0.288 401 T C -1.066 173.302 174.700 -0.554 0.000 1.045 401 T CA -0.704 61.126 62.100 -0.450 0.000 1.018 401 T CB 1.534 70.293 68.868 -0.181 0.000 1.151 401 T HN 0.325 nan 8.240 nan 0.000 0.529 402 Y N -0.616 119.687 120.300 0.004 0.000 2.485 402 Y HA 0.603 5.154 4.550 0.002 0.000 0.345 402 Y C 0.392 176.348 175.900 0.094 0.000 0.998 402 Y CA -1.024 57.109 58.100 0.055 0.000 1.059 402 Y CB 2.564 41.115 38.460 0.151 0.000 1.234 402 Y HN 0.677 nan 8.280 nan 0.000 0.461 403 T N 1.682 116.370 114.554 0.224 0.000 2.786 403 T HA 0.334 4.685 4.350 0.002 0.000 0.283 403 T C -0.135 174.641 174.700 0.127 0.000 0.992 403 T CA -0.999 61.189 62.100 0.147 0.000 0.954 403 T CB 0.858 69.758 68.868 0.054 0.000 0.934 403 T HN 0.730 nan 8.240 nan 0.000 0.440 404 S N 3.614 119.382 115.700 0.114 0.000 2.596 404 S HA 0.085 4.556 4.470 0.002 0.000 0.260 404 S C 1.559 176.195 174.600 0.060 0.000 1.336 404 S CA -0.827 57.394 58.200 0.034 0.000 0.993 404 S CB 0.312 63.524 63.200 0.020 0.000 0.923 404 S HN 0.916 nan 8.310 nan 0.000 0.567 405 W N 0.951 122.230 121.300 -0.035 0.000 2.538 405 W HA 0.034 4.695 4.660 0.001 0.000 0.254 405 W C 0.505 177.023 176.519 -0.001 0.000 1.249 405 W CA 0.168 57.511 57.345 -0.004 0.000 1.253 405 W CB -1.139 28.326 29.460 0.008 0.000 1.130 405 W HN 0.547 nan 8.180 nan 0.000 0.618 406 L N 1.355 122.150 121.223 -0.713 0.000 2.628 406 L HA 0.310 4.651 4.340 0.002 0.000 0.229 406 L C 1.837 178.533 176.870 -0.291 0.000 1.137 406 L CA 0.662 55.080 54.840 -0.705 0.000 0.909 406 L CB -0.733 40.867 42.059 -0.764 0.000 1.137 406 L HN 0.207 nan 8.230 nan 0.000 0.470 407 G N 0.536 109.240 108.800 -0.160 0.000 2.143 407 G HA2 -0.270 3.691 3.960 0.002 0.000 0.249 407 G HA3 -0.270 3.691 3.960 0.002 0.000 0.249 407 G C 0.158 175.033 174.900 -0.041 0.000 0.981 407 G CA 0.018 45.072 45.100 -0.077 0.000 0.665 407 G HN 0.384 nan 8.290 nan 0.000 0.528 408 K N 0.544 120.929 120.400 -0.026 0.000 2.203 408 K HA 0.529 4.850 4.320 0.002 0.000 0.251 408 K C -2.660 173.994 176.600 0.089 0.000 0.944 408 K CA -2.308 53.991 56.287 0.020 0.000 0.829 408 K CB 1.930 34.438 32.500 0.014 0.000 1.125 408 K HN -0.086 nan 8.250 nan 0.000 0.430 409 P HA -0.085 nan 4.420 nan 0.000 0.264 409 P C -1.380 176.038 177.300 0.196 0.000 1.183 409 P CA 0.148 63.316 63.100 0.113 0.000 0.763 409 P CB 0.293 32.023 31.700 0.050 0.000 0.807 410 W N 4.522 125.843 121.300 0.034 0.000 3.022 410 W HA 0.471 5.132 4.660 0.001 0.000 0.335 410 W C -1.171 175.363 176.519 0.024 0.000 1.133 410 W CA -0.551 56.810 57.345 0.026 0.000 1.219 410 W CB 1.787 31.268 29.460 0.035 0.000 1.409 410 W HN 0.269 nan 8.180 nan 0.000 0.507 411 K N 3.430 123.319 120.400 -0.853 0.000 2.477 411 K HA 0.411 4.731 4.320 0.002 0.000 0.255 411 K C -0.836 174.814 176.600 -1.584 0.000 0.952 411 K CA -1.069 54.693 56.287 -0.874 0.000 0.826 411 K CB 1.521 33.799 32.500 -0.369 0.000 1.331 411 K HN 0.387 nan 8.250 nan 0.000 0.437 412 H N 0.305 118.823 119.070 -0.920 0.000 3.094 412 H HA 0.016 4.573 4.556 0.001 0.000 0.320 412 H C 1.298 176.381 175.328 -0.409 0.000 1.000 412 H CA 2.317 58.016 56.048 -0.582 0.000 1.413 412 H CB 0.724 30.381 29.762 -0.174 0.000 1.405 412 H HN 1.056 nan 8.280 nan 0.000 0.586 413 G N 3.375 112.086 108.800 -0.148 0.000 2.176 413 G HA2 -0.226 3.735 3.960 0.002 0.000 0.232 413 G HA3 -0.226 3.735 3.960 0.002 0.000 0.232 413 G C -0.062 174.763 174.900 -0.124 0.000 0.986 413 G CA -0.036 45.012 45.100 -0.088 0.000 0.643 413 G HN 0.569 nan 8.290 nan 0.000 0.522 414 D N 1.118 121.361 120.400 -0.262 0.000 2.372 414 D HA 0.378 5.019 4.640 0.002 0.000 0.243 414 D C -0.530 175.800 176.300 0.049 0.000 1.121 414 D CA -1.017 52.884 54.000 -0.164 0.000 0.898 414 D CB 1.254 41.836 40.800 -0.363 0.000 1.202 414 D HN 0.160 nan 8.370 nan 0.000 0.428 415 P HA -0.057 nan 4.420 nan 0.000 0.239 415 P C 0.050 177.441 177.300 0.152 0.000 1.184 415 P CA 0.643 63.798 63.100 0.093 0.000 0.760 415 P CB 0.564 32.301 31.700 0.060 0.000 0.884 416 E N 1.383 121.726 120.200 0.238 0.000 2.187 416 E HA 0.366 4.717 4.350 0.002 0.000 0.268 416 E C -2.576 174.297 176.600 0.456 0.000 0.896 416 E CA -3.333 53.244 56.400 0.295 0.000 0.766 416 E CB 1.507 31.373 29.700 0.277 0.000 1.142 416 E HN -0.048 nan 8.360 nan 0.000 0.408 417 P HA -0.031 nan 4.420 nan 0.000 0.272 417 P C 0.575 177.836 177.300 -0.064 0.000 1.223 417 P CA -0.160 63.050 63.100 0.184 0.000 0.784 417 P CB 1.261 32.992 31.700 0.051 0.000 0.923 418 C N 2.246 121.140 119.300 -0.675 0.000 2.429 418 C HA 0.095 4.556 4.460 0.002 0.000 0.277 418 C C 1.324 176.180 174.990 -0.223 0.000 1.262 418 C CA 1.348 59.712 59.018 -1.091 0.000 1.733 418 C CB -1.326 25.452 27.740 -1.604 0.000 2.010 418 C HN 0.683 nan 8.230 nan 0.000 0.483 419 A N -0.509 122.212 122.820 -0.164 0.000 2.325 419 A HA 0.516 4.837 4.320 0.002 0.000 0.333 419 A C -0.401 176.981 177.584 -0.338 0.000 1.155 419 A CA -0.356 51.614 52.037 -0.111 0.000 0.814 419 A CB -0.077 18.887 19.000 -0.060 0.000 1.206 419 A HN 0.642 nan 8.150 nan 0.000 0.482 420 H N 2.038 120.549 119.070 -0.931 0.000 2.928 420 H HA 0.067 4.624 4.556 0.001 0.000 0.338 420 H C -1.707 173.315 175.328 -0.509 0.000 1.047 420 H CA -0.779 54.649 56.048 -1.032 0.000 1.435 420 H CB 1.152 29.965 29.762 -1.583 0.000 1.428 420 H HN 0.280 nan 8.280 nan 0.000 0.590 421 P HA -0.123 nan 4.420 nan 0.000 0.221 421 P C 0.720 177.849 177.300 -0.285 0.000 1.145 421 P CA 1.316 64.147 63.100 -0.449 0.000 0.795 421 P CB 0.259 31.698 31.700 -0.434 0.000 0.775 422 N N -1.087 117.539 118.700 -0.124 0.000 2.235 422 N HA 0.011 4.752 4.740 0.002 0.000 0.209 422 N C -0.336 175.153 175.510 -0.036 0.000 1.122 422 N CA -0.166 52.877 53.050 -0.011 0.000 0.845 422 N CB -0.213 38.311 38.487 0.062 0.000 1.004 422 N HN -0.015 nan 8.380 nan 0.000 0.499 423 S N -0.209 115.424 115.700 -0.112 0.000 2.576 423 S HA 0.307 4.778 4.470 0.002 0.000 0.272 423 S C 0.121 174.567 174.600 -0.256 0.000 1.352 423 S CA -0.338 57.784 58.200 -0.130 0.000 1.021 423 S CB 1.146 64.265 63.200 -0.136 0.000 0.887 423 S HN 0.092 nan 8.310 nan 0.000 0.542 424 R N 0.576 120.923 120.500 -0.254 0.000 2.795 424 R HA 0.508 4.849 4.340 0.002 0.000 0.275 424 R C -1.074 175.024 176.300 -0.337 0.000 0.981 424 R CA -0.699 55.058 56.100 -0.571 0.000 0.917 424 R CB 1.362 31.084 30.300 -0.963 0.000 1.202 424 R HN 0.787 nan 8.270 nan 0.000 0.469 425 F N -1.223 118.514 119.950 -0.355 0.000 2.458 425 F HA 0.652 5.180 4.527 0.002 0.000 0.330 425 F C -0.040 175.581 175.800 -0.299 0.000 1.082 425 F CA -1.439 56.312 58.000 -0.415 0.000 0.995 425 F CB 1.116 39.851 39.000 -0.442 0.000 1.170 425 F HN 0.290 nan 8.300 nan 0.000 0.478 426 C N 3.814 123.102 119.300 -0.020 0.000 2.356 426 C HA 0.912 5.373 4.460 0.002 0.000 0.324 426 C C -0.446 174.577 174.990 0.055 0.000 1.167 426 C CA -0.043 59.044 59.018 0.114 0.000 1.420 426 C CB -0.913 26.913 27.740 0.142 0.000 2.036 426 C HN 1.166 nan 8.230 nan 0.000 0.435 427 A N 7.053 129.955 122.820 0.137 0.000 2.414 427 A HA 0.895 5.216 4.320 0.002 0.000 0.306 427 A C -3.040 174.566 177.584 0.036 0.000 1.054 427 A CA -1.350 50.731 52.037 0.074 0.000 0.724 427 A CB 1.404 20.449 19.000 0.075 0.000 1.267 427 A HN 0.602 nan 8.150 nan 0.000 0.418 428 P HA 0.207 nan 4.420 nan 0.000 0.263 428 P C 0.835 178.042 177.300 -0.156 0.000 1.195 428 P CA 0.567 63.621 63.100 -0.076 0.000 0.762 428 P CB 1.059 32.745 31.700 -0.023 0.000 0.799 429 A N 4.338 126.900 122.820 -0.431 0.000 2.019 429 A HA -0.198 4.123 4.320 0.002 0.000 0.219 429 A C 1.627 178.873 177.584 -0.562 0.000 1.164 429 A CA 1.815 53.380 52.037 -0.785 0.000 0.644 429 A CB -1.084 17.066 19.000 -1.418 0.000 0.805 429 A HN 0.597 nan 8.150 nan 0.000 0.449 430 D N -0.447 119.742 120.400 -0.351 0.000 2.378 430 D HA -0.148 4.493 4.640 0.002 0.000 0.222 430 D C 1.442 177.710 176.300 -0.052 0.000 0.980 430 D CA 0.993 54.921 54.000 -0.121 0.000 0.907 430 D CB -0.534 40.361 40.800 0.158 0.000 0.899 430 D HN 0.602 nan 8.370 nan 0.000 0.527 431 Q N -0.754 119.015 119.800 -0.052 0.000 2.392 431 Q HA 0.122 4.463 4.340 0.002 0.000 0.203 431 Q C 0.214 176.206 176.000 -0.014 0.000 0.917 431 Q CA -0.181 55.615 55.803 -0.012 0.000 0.939 431 Q CB 0.528 29.265 28.738 -0.001 0.000 1.063 431 Q HN 0.307 nan 8.270 nan 0.000 0.516 432 C N 2.758 122.052 119.300 -0.010 0.000 2.566 432 C HA 0.192 4.653 4.460 0.002 0.000 0.393 432 C C -1.023 173.951 174.990 -0.027 0.000 1.309 432 C CA -1.862 57.149 59.018 -0.012 0.000 1.801 432 C CB 0.433 28.208 27.740 0.058 0.000 2.493 432 C HN 0.339 nan 8.230 nan 0.000 0.575 433 P HA -0.083 nan 4.420 nan 0.000 0.225 433 P C 0.666 177.972 177.300 0.011 0.000 1.148 433 P CA 1.440 64.534 63.100 -0.010 0.000 0.779 433 P CB -0.208 31.477 31.700 -0.026 0.000 0.780 434 I N -6.230 114.336 120.570 -0.005 0.000 3.877 434 I HA 0.274 4.445 4.170 0.002 0.000 0.332 434 I C 0.282 176.479 176.117 0.132 0.000 1.525 434 I CA -0.631 60.681 61.300 0.020 0.000 1.146 434 I CB -0.385 37.551 38.000 -0.107 0.000 1.137 434 I HN -0.343 nan 8.210 nan 0.000 0.424 435 M N 2.309 121.959 119.600 0.083 0.000 2.260 435 M HA 0.045 4.526 4.480 0.002 0.000 0.348 435 M C 0.093 176.543 176.300 0.250 0.000 1.342 435 M CA 0.392 55.724 55.300 0.054 0.000 1.040 435 M CB -0.607 31.838 32.600 -0.258 0.000 1.810 435 M HN 0.320 nan 8.290 nan 0.000 0.453 436 D N 4.719 125.309 120.400 0.317 0.000 2.414 436 D HA 0.104 4.745 4.640 0.002 0.000 0.242 436 D C -1.540 174.929 176.300 0.281 0.000 1.129 436 D CA -0.999 53.165 54.000 0.273 0.000 0.885 436 D CB 1.064 42.090 40.800 0.377 0.000 1.198 436 D HN 0.323 nan 8.370 nan 0.000 0.437 437 P HA -0.114 nan 4.420 nan 0.000 0.219 437 P C 0.302 177.675 177.300 0.122 0.000 1.146 437 P CA 1.162 64.338 63.100 0.127 0.000 0.808 437 P CB 0.211 31.933 31.700 0.037 0.000 0.779 438 R N -0.917 119.661 120.500 0.131 0.000 2.388 438 R HA 0.084 4.425 4.340 0.002 0.000 0.247 438 R C 1.802 178.108 176.300 0.009 0.000 0.931 438 R CA -0.176 55.942 56.100 0.030 0.000 1.082 438 R CB -0.540 29.767 30.300 0.012 0.000 1.135 438 R HN 0.424 nan 8.270 nan 0.000 0.525 439 W N 2.063 123.373 121.300 0.018 0.000 2.364 439 W HA -0.137 4.524 4.660 0.002 0.000 0.281 439 W C -0.351 176.147 176.519 -0.036 0.000 1.219 439 W CA 1.328 58.679 57.345 0.010 0.000 1.220 439 W CB -0.143 29.345 29.460 0.047 0.000 1.127 439 W HN 0.042 nan 8.180 nan 0.000 0.556 440 D N -0.071 119.722 120.400 -1.011 0.000 2.623 440 D HA 0.026 4.667 4.640 0.002 0.000 0.252 440 D C -0.596 175.393 176.300 -0.517 0.000 1.294 440 D CA -0.520 52.873 54.000 -1.012 0.000 0.824 440 D CB -0.877 38.944 40.800 -1.632 0.000 1.070 440 D HN -0.175 nan 8.370 nan 0.000 0.487 441 D N 2.169 122.367 120.400 -0.337 0.000 2.358 441 D HA 0.054 4.695 4.640 0.002 0.000 0.258 441 D C -1.096 175.092 176.300 -0.187 0.000 1.223 441 D CA -1.848 52.024 54.000 -0.214 0.000 0.886 441 D CB 1.706 42.416 40.800 -0.149 0.000 1.120 441 D HN -0.037 nan 8.370 nan 0.000 0.482 442 P HA -0.134 nan 4.420 nan 0.000 0.225 442 P C 0.954 178.190 177.300 -0.107 0.000 1.148 442 P CA 0.729 63.748 63.100 -0.134 0.000 0.779 442 P CB 0.375 32.007 31.700 -0.114 0.000 0.780 443 E N 0.106 120.246 120.200 -0.099 0.000 2.285 443 E HA 0.123 4.474 4.350 0.002 0.000 0.194 443 E C 0.733 177.280 176.600 -0.088 0.000 0.997 443 E CA 0.487 56.839 56.400 -0.081 0.000 0.845 443 E CB -0.243 29.417 29.700 -0.067 0.000 0.782 443 E HN 0.165 nan 8.360 nan 0.000 0.491 444 G N 0.324 109.057 108.800 -0.112 0.000 2.758 444 G HA2 -0.224 3.737 3.960 0.002 0.000 0.686 444 G HA3 -0.224 3.737 3.960 0.002 0.000 0.686 444 G C -0.255 174.540 174.900 -0.174 0.000 1.389 444 G CA -0.334 44.691 45.100 -0.125 0.000 0.845 444 G HN 0.558 nan 8.290 nan 0.000 0.572 445 V N -1.388 118.372 119.914 -0.256 0.000 2.532 445 V HA 0.856 4.977 4.120 0.002 0.000 0.295 445 V C -1.883 174.066 176.094 -0.241 0.000 1.041 445 V CA -1.998 60.027 62.300 -0.458 0.000 0.926 445 V CB 1.947 33.085 31.823 -1.142 0.000 0.992 445 V HN 0.875 nan 8.190 nan 0.000 0.457 446 P HA 0.323 nan 4.420 nan 0.000 0.276 446 P C -0.671 176.698 177.300 0.113 0.000 1.253 446 P CA -0.051 63.065 63.100 0.027 0.000 0.766 446 P CB 0.797 32.544 31.700 0.078 0.000 0.845 447 I N 4.316 124.939 120.570 0.088 0.000 2.325 447 I HA 0.139 4.310 4.170 0.002 0.000 0.291 447 I C 1.037 177.244 176.117 0.150 0.000 1.019 447 I CA 0.238 61.623 61.300 0.141 0.000 1.302 447 I CB 0.792 38.864 38.000 0.121 0.000 1.401 447 I HN 0.305 nan 8.210 nan 0.000 0.485 448 D N 4.511 125.006 120.400 0.159 0.000 2.449 448 D HA 0.291 4.932 4.640 0.002 0.000 0.210 448 D C 0.427 176.835 176.300 0.180 0.000 1.094 448 D CA 0.420 54.503 54.000 0.138 0.000 0.846 448 D CB 1.440 42.278 40.800 0.064 0.000 1.003 448 D HN 0.586 nan 8.370 nan 0.000 0.504 449 A N 0.564 123.500 122.820 0.193 0.000 2.486 449 A HA 0.684 5.005 4.320 0.002 0.000 0.300 449 A C -1.154 176.550 177.584 0.199 0.000 1.048 449 A CA -0.527 51.661 52.037 0.253 0.000 0.696 449 A CB 1.432 20.536 19.000 0.173 0.000 1.278 449 A HN 0.008 nan 8.150 nan 0.000 0.405 450 I N 2.186 122.867 120.570 0.185 0.000 2.406 450 I HA 0.459 4.630 4.170 0.002 0.000 0.290 450 I C -0.923 175.056 176.117 -0.229 0.000 0.999 450 I CA -0.392 60.895 61.300 -0.022 0.000 1.124 450 I CB 1.822 39.808 38.000 -0.025 0.000 1.289 450 I HN 0.506 nan 8.210 nan 0.000 0.441 451 I N 5.892 126.261 120.570 -0.335 0.000 2.406 451 I HA 0.386 4.557 4.170 0.002 0.000 0.290 451 I C -0.928 174.780 176.117 -0.681 0.000 0.999 451 I CA -0.471 60.608 61.300 -0.369 0.000 1.124 451 I CB 1.386 39.306 38.000 -0.133 0.000 1.289 451 I HN 0.263 nan 8.210 nan 0.000 0.441 452 F N 3.421 123.151 119.950 -0.367 0.000 2.422 452 F HA 0.724 5.252 4.527 0.002 0.000 0.333 452 F C 0.861 176.055 175.800 -1.010 0.000 1.095 452 F CA -0.840 56.801 58.000 -0.599 0.000 1.038 452 F CB 1.675 40.405 39.000 -0.449 0.000 1.156 452 F HN 0.369 nan 8.300 nan 0.000 0.483 453 G N 0.052 108.216 108.800 -1.060 0.000 2.524 453 G HA2 0.670 4.631 3.960 0.002 0.000 0.310 453 G HA3 0.670 4.631 3.960 0.002 0.000 0.310 453 G C -0.922 173.594 174.900 -0.640 0.000 1.279 453 G CA -0.819 43.495 45.100 -1.309 0.000 0.974 453 G HN 0.956 nan 8.290 nan 0.000 0.484 454 G N -0.408 108.151 108.800 -0.401 0.000 2.725 454 G HA2 0.659 4.620 3.960 0.002 0.000 0.288 454 G HA3 0.659 4.620 3.960 0.002 0.000 0.288 454 G C -1.320 173.611 174.900 0.050 0.000 1.399 454 G CA -0.904 44.148 45.100 -0.080 0.000 0.859 454 G HN 0.640 nan 8.290 nan 0.000 0.479 455 R N 0.688 121.202 120.500 0.023 0.000 2.467 455 R HA 0.481 4.822 4.340 0.002 0.000 0.299 455 R C -1.007 175.306 176.300 0.021 0.000 1.120 455 R CA -0.699 55.409 56.100 0.013 0.000 0.940 455 R CB 0.653 30.754 30.300 -0.332 0.000 1.161 455 R HN 0.386 nan 8.270 nan 0.000 0.506 456 R N 4.731 125.292 120.500 0.101 0.000 2.532 456 R HA 0.275 4.616 4.340 0.002 0.000 0.297 456 R C -2.170 174.168 176.300 0.065 0.000 0.984 456 R CA -2.133 53.991 56.100 0.041 0.000 0.884 456 R CB 1.939 32.236 30.300 -0.005 0.000 1.182 456 R HN 0.439 nan 8.270 nan 0.000 0.442 457 P HA -0.128 nan 4.420 nan 0.000 0.221 457 P C -0.044 177.229 177.300 -0.045 0.000 1.150 457 P CA 1.090 64.209 63.100 0.032 0.000 0.800 457 P CB 0.730 32.429 31.700 -0.000 0.000 0.787 458 R N -2.962 117.456 120.500 -0.136 0.000 2.764 458 R HA 0.504 4.845 4.340 0.002 0.000 0.270 458 R C 0.586 176.461 176.300 -0.708 0.000 1.014 458 R CA 0.050 55.977 56.100 -0.289 0.000 0.904 458 R CB 0.735 30.910 30.300 -0.207 0.000 1.236 458 R HN 0.013 nan 8.270 nan 0.000 0.466 459 G N 0.477 108.738 108.800 -0.898 0.000 2.708 459 G HA2 -0.288 3.673 3.960 0.002 0.000 0.229 459 G HA3 -0.288 3.673 3.960 0.002 0.000 0.229 459 G C -0.257 174.090 174.900 -0.922 0.000 1.236 459 G CA 0.266 44.361 45.100 -1.675 0.000 0.749 459 G HN 0.554 nan 8.290 nan 0.000 0.515 460 V N 4.229 123.775 119.914 -0.613 0.000 2.389 460 V HA 0.441 4.562 4.120 0.002 0.000 0.264 460 V C -1.466 174.570 176.094 -0.097 0.000 1.049 460 V CA -1.147 61.076 62.300 -0.129 0.000 0.932 460 V CB 1.224 33.025 31.823 -0.038 0.000 1.011 460 V HN 0.251 nan 8.190 nan 0.000 0.475 461 P HA 0.049 nan 4.420 nan 0.000 0.270 461 P C 0.886 178.022 177.300 -0.273 0.000 1.223 461 P CA -0.374 62.615 63.100 -0.184 0.000 0.785 461 P CB 0.659 32.366 31.700 0.011 0.000 0.923 462 L N 3.126 123.998 121.223 -0.586 0.000 2.021 462 L HA -0.100 4.241 4.340 0.002 0.000 0.215 462 L C 0.536 177.198 176.870 -0.346 0.000 1.074 462 L CA 2.154 56.650 54.840 -0.574 0.000 0.760 462 L CB -0.198 41.300 42.059 -0.936 0.000 0.889 462 L HN 0.228 nan 8.230 nan 0.000 0.433 463 V N -0.652 119.172 119.914 -0.150 0.000 2.817 463 V HA 0.525 4.646 4.120 0.002 0.000 0.303 463 V C -1.431 174.789 176.094 0.209 0.000 1.151 463 V CA -0.667 61.668 62.300 0.058 0.000 0.929 463 V CB 2.174 34.050 31.823 0.089 0.000 1.030 463 V HN -0.217 nan 8.190 nan 0.000 0.427 464 V N 5.439 125.504 119.914 0.252 0.000 2.709 464 V HA 0.565 4.686 4.120 0.002 0.000 0.308 464 V C -0.356 175.922 176.094 0.306 0.000 1.062 464 V CA -0.629 61.809 62.300 0.230 0.000 0.901 464 V CB 1.942 33.817 31.823 0.087 0.000 1.003 464 V HN 0.962 nan 8.190 nan 0.000 0.425 465 E N 2.675 123.072 120.200 0.328 0.000 2.191 465 E HA 0.693 5.044 4.350 0.002 0.000 0.278 465 E C -0.004 176.552 176.600 -0.073 0.000 0.972 465 E CA -0.553 55.867 56.400 0.033 0.000 0.804 465 E CB 1.768 31.546 29.700 0.131 0.000 1.110 465 E HN 0.924 nan 8.360 nan 0.000 0.394 466 A N 3.545 126.233 122.820 -0.219 0.000 2.445 466 A HA 0.078 4.399 4.320 0.002 0.000 0.242 466 A C 0.137 177.808 177.584 0.146 0.000 1.075 466 A CA -0.137 51.804 52.037 -0.160 0.000 0.777 466 A CB 0.026 18.919 19.000 -0.177 0.000 1.013 466 A HN 0.741 nan 8.150 nan 0.000 0.493 467 F N 1.061 121.271 119.950 0.434 0.000 2.604 467 F HA 0.277 4.805 4.527 0.002 0.000 0.298 467 F C 1.602 177.568 175.800 0.276 0.000 1.131 467 F CA 1.000 59.146 58.000 0.244 0.000 1.457 467 F CB -0.555 38.426 39.000 -0.033 0.000 1.095 467 F HN 0.839 nan 8.300 nan 0.000 0.574 468 G N -2.811 106.248 108.800 0.433 0.000 2.320 468 G HA2 0.001 3.962 3.960 0.002 0.000 0.296 468 G HA3 0.001 3.962 3.960 0.002 0.000 0.296 468 G C -0.271 174.849 174.900 0.365 0.000 1.306 468 G CA -0.380 44.939 45.100 0.364 0.000 0.836 468 G HN 0.081 nan 8.290 nan 0.000 0.517 469 W N 0.476 121.900 121.300 0.205 0.000 2.355 469 W HA -0.069 4.592 4.660 0.002 0.000 0.309 469 W C 2.254 178.926 176.519 0.255 0.000 1.206 469 W CA 1.933 59.415 57.345 0.228 0.000 1.284 469 W CB 0.047 29.631 29.460 0.207 0.000 1.145 469 W HN 0.632 nan 8.180 nan 0.000 0.502 470 R N -0.626 120.111 120.500 0.395 0.000 2.081 470 R HA -0.230 4.111 4.340 0.002 0.000 0.235 470 R C 2.621 179.067 176.300 0.243 0.000 1.131 470 R CA 1.963 58.234 56.100 0.284 0.000 0.960 470 R CB -1.144 29.311 30.300 0.257 0.000 0.856 470 R HN 0.325 nan 8.270 nan 0.000 0.436 471 H N -1.101 118.059 119.070 0.150 0.000 2.353 471 H HA -0.099 4.458 4.556 0.001 0.000 0.300 471 H C 1.782 177.186 175.328 0.127 0.000 1.090 471 H CA 1.268 57.407 56.048 0.153 0.000 1.327 471 H CB -0.053 29.803 29.762 0.156 0.000 1.383 471 H HN 0.405 nan 8.280 nan 0.000 0.508 472 G N 0.185 108.980 108.800 -0.008 0.000 2.422 472 G HA2 -0.222 3.739 3.960 0.002 0.000 0.218 472 G HA3 -0.222 3.739 3.960 0.002 0.000 0.218 472 G C 1.824 176.621 174.900 -0.171 0.000 1.146 472 G CA 0.973 45.998 45.100 -0.125 0.000 0.769 472 G HN 0.335 nan 8.290 nan 0.000 0.547 473 V N 0.508 120.336 119.914 -0.143 0.000 2.343 473 V HA -0.127 3.994 4.120 0.002 0.000 0.247 473 V C 2.315 178.379 176.094 -0.050 0.000 1.051 473 V CA 1.766 64.031 62.300 -0.058 0.000 1.036 473 V CB -0.659 31.213 31.823 0.082 0.000 0.654 473 V HN 0.399 nan 8.190 nan 0.000 0.451 474 F N 0.659 120.552 119.950 -0.095 0.000 2.095 474 F HA -0.263 4.264 4.527 0.001 0.000 0.298 474 F C 2.317 178.012 175.800 -0.174 0.000 1.104 474 F CA 2.043 60.004 58.000 -0.065 0.000 1.232 474 F CB -0.364 38.662 39.000 0.043 0.000 0.987 474 F HN 0.062 nan 8.300 nan 0.000 0.475 475 M N 0.236 119.539 119.600 -0.496 0.000 2.080 475 M HA -0.162 4.319 4.480 0.002 0.000 0.260 475 M C 2.533 178.289 176.300 -0.906 0.000 1.068 475 M CA 1.888 56.782 55.300 -0.676 0.000 1.109 475 M CB -1.430 30.917 32.600 -0.422 0.000 1.342 475 M HN 0.365 nan 8.290 nan 0.000 0.405 476 G N 0.083 107.999 108.800 -1.472 0.000 2.440 476 G HA2 -0.270 3.691 3.960 0.002 0.000 0.218 476 G HA3 -0.270 3.691 3.960 0.002 0.000 0.218 476 G C 1.609 175.850 174.900 -1.100 0.000 1.154 476 G CA 1.410 45.043 45.100 -2.446 0.000 0.767 476 G HN 0.574 nan 8.290 nan 0.000 0.552 477 S N 0.481 115.903 115.700 -0.462 0.000 2.447 477 S HA 0.314 4.785 4.470 0.002 0.000 0.233 477 S C 2.123 176.701 174.600 -0.036 0.000 1.006 477 S CA 1.271 59.469 58.200 -0.003 0.000 0.957 477 S CB -0.097 63.152 63.200 0.081 0.000 0.773 477 S HN 0.623 nan 8.310 nan 0.000 0.507 478 A N 0.607 123.230 122.820 -0.328 0.000 2.387 478 A HA 0.542 4.863 4.320 0.002 0.000 0.234 478 A C 0.723 178.143 177.584 -0.275 0.000 1.253 478 A CA -0.543 51.307 52.037 -0.312 0.000 0.894 478 A CB -0.498 18.144 19.000 -0.598 0.000 0.963 478 A HN 0.566 nan 8.150 nan 0.000 0.508 479 M N 0.867 120.308 119.600 -0.264 0.000 2.261 479 M HA 0.133 4.614 4.480 0.002 0.000 0.350 479 M C 0.190 176.380 176.300 -0.185 0.000 1.343 479 M CA 1.119 56.311 55.300 -0.180 0.000 1.003 479 M CB 0.168 32.660 32.600 -0.179 0.000 1.848 479 M HN 0.302 nan 8.290 nan 0.000 0.456 480 R N 1.015 121.406 120.500 -0.181 0.000 2.707 480 R HA 0.679 5.020 4.340 0.002 0.000 0.272 480 R C -1.271 174.941 176.300 -0.146 0.000 1.011 480 R CA -0.715 55.230 56.100 -0.259 0.000 0.893 480 R CB 2.425 32.471 30.300 -0.423 0.000 1.233 480 R HN 0.850 nan 8.270 nan 0.000 0.464 481 S N -0.505 115.109 115.700 -0.144 0.000 2.625 481 S HA 0.310 4.781 4.470 0.002 0.000 0.271 481 S C -0.680 173.853 174.600 -0.112 0.000 1.161 481 S CA -1.117 57.020 58.200 -0.104 0.000 0.820 481 S CB 1.869 65.021 63.200 -0.080 0.000 1.137 481 S HN 0.672 nan 8.310 nan 0.000 0.470 495 M N 2.209 121.719 119.600 -0.151 0.000 2.528 495 M HA 0.498 4.979 4.480 0.002 0.000 0.321 495 M C -0.664 175.502 176.300 -0.224 0.000 1.153 495 M CA -0.772 54.452 55.300 -0.127 0.000 0.951 495 M CB 2.120 34.695 32.600 -0.042 0.000 1.705 495 M HN 0.482 nan 8.290 nan 0.000 0.451 496 H N 1.458 120.396 119.070 -0.220 0.000 2.646 496 H HA 0.141 4.698 4.556 0.001 0.000 0.325 496 H C -0.954 174.296 175.328 -0.130 0.000 1.075 496 H CA 0.399 56.241 56.048 -0.344 0.000 1.421 496 H CB 0.904 30.115 29.762 -0.918 0.000 1.461 496 H HN 0.442 nan 8.280 nan 0.000 0.525 497 D N 4.745 125.155 120.400 0.016 0.000 2.621 497 D HA 0.158 4.799 4.640 0.002 0.000 0.274 497 D C -2.677 173.693 176.300 0.116 0.000 1.215 497 D CA -1.873 52.178 54.000 0.085 0.000 0.810 497 D CB 0.837 41.665 40.800 0.046 0.000 1.248 497 D HN 0.239 nan 8.370 nan 0.000 0.517 498 P HA 0.029 nan 4.420 nan 0.000 0.262 498 P C 0.219 177.738 177.300 0.364 0.000 1.199 498 P CA 0.004 63.282 63.100 0.296 0.000 0.763 498 P CB 0.004 32.035 31.700 0.552 0.000 0.790 499 F N 1.672 121.585 119.950 -0.062 0.000 3.006 499 F HA -0.298 4.230 4.527 0.001 0.000 0.289 499 F C 1.443 177.310 175.800 0.111 0.000 0.772 499 F CA 1.070 59.072 58.000 0.002 0.000 1.162 499 F CB -2.533 36.531 39.000 0.108 0.000 1.382 499 F HN 0.583 nan 8.300 nan 0.000 0.406 500 A N -1.468 121.473 122.820 0.202 0.000 2.798 500 A HA -0.305 4.016 4.320 0.002 0.000 0.282 500 A C 1.404 179.204 177.584 0.358 0.000 1.464 500 A CA 1.666 53.861 52.037 0.265 0.000 0.844 500 A CB -1.352 17.796 19.000 0.247 0.000 1.006 500 A HN 0.422 nan 8.150 nan 0.000 0.577 501 M N -1.573 118.073 119.600 0.076 0.000 2.333 501 M HA 0.129 4.610 4.480 0.002 0.000 0.257 501 M C 1.690 177.549 176.300 -0.735 0.000 1.078 501 M CA 0.536 55.640 55.300 -0.326 0.000 1.005 501 M CB -0.513 31.577 32.600 -0.851 0.000 1.444 501 M HN 0.646 nan 8.290 nan 0.000 0.496 502 R N 1.807 122.128 120.500 -0.299 0.000 2.112 502 R HA -0.172 4.169 4.340 0.002 0.000 0.242 502 R C -1.031 175.111 176.300 -0.264 0.000 1.137 502 R CA 2.009 58.039 56.100 -0.116 0.000 0.944 502 R CB -1.064 29.259 30.300 0.040 0.000 0.857 502 R HN 0.180 nan 8.270 nan 0.000 0.435 503 P HA 0.020 nan 4.420 nan 0.000 0.249 503 P C -0.153 176.674 177.300 -0.789 0.000 1.229 503 P CA 0.868 63.522 63.100 -0.742 0.000 0.788 503 P CB 0.144 31.212 31.700 -1.054 0.000 1.072 504 F N -2.833 116.971 119.950 -0.243 0.000 2.781 504 F HA 0.324 4.852 4.527 0.002 0.000 0.322 504 F C 0.635 176.280 175.800 -0.258 0.000 1.108 504 F CA -1.125 56.729 58.000 -0.244 0.000 1.179 504 F CB -0.612 38.231 39.000 -0.262 0.000 1.072 504 F HN -0.306 nan 8.300 nan 0.000 0.545 505 F N 0.712 120.640 119.950 -0.037 0.000 2.563 505 F HA 0.390 4.918 4.527 0.001 0.000 0.363 505 F C 1.588 177.355 175.800 -0.054 0.000 1.123 505 F CA 0.116 58.041 58.000 -0.126 0.000 1.307 505 F CB 0.548 39.402 39.000 -0.242 0.000 1.115 505 F HN 0.084 nan 8.300 nan 0.000 0.592 506 G N 2.014 110.962 108.800 0.247 0.000 3.192 506 G HA2 0.283 4.243 3.960 0.002 0.000 0.239 506 G HA3 0.283 4.243 3.960 0.002 0.000 0.239 506 G C -0.845 174.262 174.900 0.345 0.000 1.084 506 G CA 0.123 45.362 45.100 0.232 0.000 0.784 506 G HN 0.632 nan 8.290 nan 0.000 0.540 507 Y N -2.634 117.725 120.300 0.099 0.000 2.779 507 Y HA 0.489 5.040 4.550 0.002 0.000 0.340 507 Y C -0.758 175.137 175.900 -0.008 0.000 1.252 507 Y CA -2.374 55.752 58.100 0.043 0.000 1.072 507 Y CB 0.107 38.584 38.460 0.028 0.000 1.343 507 Y HN -0.140 nan 8.280 nan 0.000 0.450 508 N N 1.146 119.809 118.700 -0.062 0.000 2.236 508 N HA -0.071 4.670 4.740 0.002 0.000 0.274 508 N C 1.070 176.308 175.510 -0.453 0.000 1.339 508 N CA 1.069 53.988 53.050 -0.218 0.000 0.845 508 N CB 1.317 39.764 38.487 -0.067 0.000 1.091 508 N HN 0.994 nan 8.380 nan 0.000 0.489 509 A N 4.140 126.552 122.820 -0.680 0.000 1.972 509 A HA -0.088 4.233 4.320 0.002 0.000 0.219 509 A C 2.047 179.525 177.584 -0.176 0.000 1.169 509 A CA 1.779 53.239 52.037 -0.962 0.000 0.635 509 A CB -0.787 17.268 19.000 -1.575 0.000 0.810 509 A HN 0.745 nan 8.150 nan 0.000 0.446 510 G N -0.461 108.343 108.800 0.006 0.000 2.418 510 G HA2 -0.222 3.739 3.960 0.002 0.000 0.217 510 G HA3 -0.222 3.739 3.960 0.002 0.000 0.217 510 G C 1.744 176.716 174.900 0.121 0.000 1.158 510 G CA 0.831 46.063 45.100 0.221 0.000 0.771 510 G HN 0.584 nan 8.290 nan 0.000 0.545 511 R N -1.063 119.484 120.500 0.079 0.000 2.148 511 R HA -0.029 4.312 4.340 0.002 0.000 0.227 511 R C 2.248 178.730 176.300 0.303 0.000 1.103 511 R CA 1.037 57.248 56.100 0.184 0.000 0.983 511 R CB -0.434 30.016 30.300 0.250 0.000 0.874 511 R HN 0.556 nan 8.270 nan 0.000 0.451 512 Y N 1.469 121.759 120.300 -0.017 0.000 2.200 512 Y HA -0.143 4.408 4.550 0.002 0.000 0.290 512 Y C 1.811 177.857 175.900 0.243 0.000 1.137 512 Y CA 1.358 59.516 58.100 0.097 0.000 1.163 512 Y CB -0.175 38.184 38.460 -0.169 0.000 0.988 512 Y HN -0.082 nan 8.280 nan 0.000 0.518 513 L N 0.117 121.489 121.223 0.247 0.000 2.093 513 L HA -0.167 4.174 4.340 0.002 0.000 0.208 513 L C 2.465 179.425 176.870 0.151 0.000 1.085 513 L CA 1.681 56.592 54.840 0.118 0.000 0.755 513 L CB -0.589 41.523 42.059 0.088 0.000 0.904 513 L HN 0.209 nan 8.230 nan 0.000 0.435 514 E N -0.062 120.235 120.200 0.161 0.000 2.110 514 E HA -0.280 4.071 4.350 0.002 0.000 0.193 514 E C 2.064 178.782 176.600 0.197 0.000 0.988 514 E CA 1.457 57.951 56.400 0.158 0.000 0.804 514 E CB -0.130 29.651 29.700 0.135 0.000 0.745 514 E HN 0.447 nan 8.360 nan 0.000 0.458 515 H N -1.341 117.797 119.070 0.113 0.000 2.353 515 H HA -0.111 4.446 4.556 0.001 0.000 0.300 515 H C 1.530 176.881 175.328 0.038 0.000 1.090 515 H CA 2.172 58.252 56.048 0.053 0.000 1.327 515 H CB -0.568 29.219 29.762 0.043 0.000 1.383 515 H HN 0.225 nan 8.280 nan 0.000 0.508 516 W N 0.568 121.760 121.300 -0.179 0.000 2.335 516 W HA -0.146 4.515 4.660 0.002 0.000 0.311 516 W C 2.495 179.186 176.519 0.286 0.000 1.213 516 W CA 1.558 58.874 57.345 -0.048 0.000 1.274 516 W CB -0.525 28.819 29.460 -0.194 0.000 1.148 516 W HN 0.199 nan 8.180 nan 0.000 0.498 517 L N -0.044 121.433 121.223 0.424 0.000 2.017 517 L HA -0.283 4.058 4.340 0.002 0.000 0.208 517 L C 2.730 179.766 176.870 0.276 0.000 1.073 517 L CA 1.879 56.967 54.840 0.412 0.000 0.745 517 L CB -1.420 40.790 42.059 0.252 0.000 0.894 517 L HN 0.014 nan 8.230 nan 0.000 0.432 518 S N -1.698 114.083 115.700 0.135 0.000 2.399 518 S HA -0.179 4.292 4.470 0.002 0.000 0.231 518 S C 1.927 176.492 174.600 -0.058 0.000 1.022 518 S CA 1.583 59.805 58.200 0.038 0.000 0.983 518 S CB -0.778 62.451 63.200 0.047 0.000 0.803 518 S HN 0.360 nan 8.310 nan 0.000 0.480 519 T N 1.924 116.415 114.554 -0.104 0.000 2.746 519 T HA 0.017 4.368 4.350 0.002 0.000 0.267 519 T C 1.892 176.359 174.700 -0.389 0.000 1.039 519 T CA 1.469 63.446 62.100 -0.204 0.000 1.142 519 T CB -1.055 67.655 68.868 -0.264 0.000 0.866 519 T HN 0.667 nan 8.240 nan 0.000 0.444 520 G N 0.707 109.182 108.800 -0.542 0.000 2.625 520 G HA2 0.006 3.966 3.960 0.002 0.000 0.214 520 G HA3 0.006 3.966 3.960 0.002 0.000 0.214 520 G C 1.202 175.782 174.900 -0.533 0.000 1.132 520 G CA 0.207 44.584 45.100 -1.205 0.000 0.782 520 G HN 0.473 nan 8.290 nan 0.000 0.538 521 L N -0.309 120.741 121.223 -0.288 0.000 2.607 521 L HA 0.252 4.593 4.340 0.002 0.000 0.228 521 L C 1.528 178.267 176.870 -0.219 0.000 1.123 521 L CA -0.480 54.250 54.840 -0.184 0.000 0.890 521 L CB 0.019 42.029 42.059 -0.082 0.000 1.103 521 L HN 0.074 nan 8.230 nan 0.000 0.468 522 R N 1.718 122.028 120.500 -0.317 0.000 2.504 522 R HA -0.030 4.311 4.340 0.002 0.000 0.291 522 R C 0.374 176.489 176.300 -0.310 0.000 0.974 522 R CA 0.104 56.006 56.100 -0.331 0.000 1.077 522 R CB 0.526 30.526 30.300 -0.500 0.000 0.926 522 R HN 0.024 nan 8.270 nan 0.000 0.407 523 S N 4.051 119.624 115.700 -0.211 0.000 2.546 523 S HA -0.031 4.440 4.470 0.002 0.000 0.290 523 S C 0.272 174.756 174.600 -0.192 0.000 1.290 523 S CA 0.217 58.317 58.200 -0.167 0.000 1.069 523 S CB 0.146 63.278 63.200 -0.113 0.000 0.846 523 S HN 0.919 nan 8.310 nan 0.000 0.495 524 N N 0.355 118.958 118.700 -0.162 0.000 2.863 524 N HA -0.187 4.554 4.740 0.002 0.000 0.245 524 N C 0.033 175.428 175.510 -0.193 0.000 1.001 524 N CA 1.114 54.079 53.050 -0.141 0.000 0.901 524 N CB -2.035 36.392 38.487 -0.100 0.000 1.124 524 N HN 0.833 nan 8.380 nan 0.000 0.582 525 A N 0.859 123.477 122.820 -0.338 0.000 2.511 525 A HA 0.265 4.586 4.320 0.002 0.000 0.242 525 A C 0.766 178.227 177.584 -0.205 0.000 1.069 525 A CA 0.206 51.944 52.037 -0.500 0.000 0.763 525 A CB 0.212 18.600 19.000 -1.020 0.000 1.001 525 A HN 0.250 nan 8.150 nan 0.000 0.498 526 R N 2.627 123.116 120.500 -0.018 0.000 2.565 526 R HA 0.274 4.615 4.340 0.002 0.000 0.286 526 R C -0.857 175.552 176.300 0.181 0.000 1.256 526 R CA -0.126 56.019 56.100 0.075 0.000 1.238 526 R CB 0.109 30.467 30.300 0.096 0.000 1.153 526 R HN 0.674 nan 8.270 nan 0.000 0.553 527 L N 4.830 126.119 121.223 0.110 0.000 2.453 527 L HA 0.198 4.539 4.340 0.002 0.000 0.272 527 L C -1.486 175.553 176.870 0.282 0.000 1.182 527 L CA -1.690 53.261 54.840 0.185 0.000 0.858 527 L CB 0.092 42.193 42.059 0.069 0.000 1.120 527 L HN 0.242 nan 8.230 nan 0.000 0.474 528 P HA 0.170 nan 4.420 nan 0.000 0.274 528 P C -0.796 176.732 177.300 0.380 0.000 1.231 528 P CA -0.474 62.835 63.100 0.348 0.000 0.790 528 P CB 0.652 32.566 31.700 0.357 0.000 0.951 529 R N 1.061 121.729 120.500 0.280 0.000 2.543 529 R HA 0.392 4.733 4.340 0.002 0.000 0.277 529 R C 0.006 176.357 176.300 0.085 0.000 1.074 529 R CA -0.393 55.798 56.100 0.151 0.000 1.076 529 R CB 0.151 30.509 30.300 0.098 0.000 0.993 529 R HN 0.462 nan 8.270 nan 0.000 0.459 530 L N 3.671 124.790 121.223 -0.172 0.000 2.325 530 L HA 0.564 4.905 4.340 0.002 0.000 0.278 530 L C -0.699 175.895 176.870 -0.460 0.000 1.023 530 L CA -0.569 54.166 54.840 -0.177 0.000 0.811 530 L CB 0.912 42.920 42.059 -0.084 0.000 1.249 530 L HN 0.476 nan 8.230 nan 0.000 0.431 531 F N 0.290 120.198 119.950 -0.070 0.000 2.599 531 F HA 0.467 4.995 4.527 0.001 0.000 0.311 531 F C -0.078 175.718 175.800 -0.007 0.000 1.076 531 F CA -0.753 57.251 58.000 0.007 0.000 0.937 531 F CB 1.830 40.848 39.000 0.031 0.000 1.282 531 F HN 0.404 nan 8.300 nan 0.000 0.460 532 H N 1.749 120.890 119.070 0.117 0.000 2.538 532 H HA 0.739 5.296 4.556 0.002 0.000 0.353 532 H C -1.591 173.681 175.328 -0.093 0.000 1.109 532 H CA -0.636 55.404 56.048 -0.014 0.000 1.192 532 H CB 2.004 31.738 29.762 -0.048 0.000 1.555 532 H HN 0.576 nan 8.280 nan 0.000 0.518 533 V N 2.865 122.414 119.914 -0.608 0.000 2.769 533 V HA 0.496 4.617 4.120 0.002 0.000 0.312 533 V C -0.552 175.110 176.094 -0.719 0.000 1.061 533 V CA -1.007 60.917 62.300 -0.625 0.000 0.931 533 V CB 1.877 33.144 31.823 -0.927 0.000 1.010 533 V HN 0.775 nan 8.190 nan 0.000 0.433 534 N N 2.170 120.540 118.700 -0.549 0.000 2.577 534 N HA 0.411 5.152 4.740 0.002 0.000 0.275 534 N C -0.258 175.067 175.510 -0.309 0.000 1.091 534 N CA -0.753 52.093 53.050 -0.339 0.000 0.843 534 N CB 1.061 39.499 38.487 -0.082 0.000 1.295 534 N HN 0.893 nan 8.380 nan 0.000 0.530 535 W N 2.022 123.168 121.300 -0.256 0.000 2.825 535 W HA 0.157 4.818 4.660 0.002 0.000 0.243 535 W C 0.081 176.208 176.519 -0.654 0.000 1.293 535 W CA -0.314 56.672 57.345 -0.598 0.000 1.403 535 W CB 0.050 28.884 29.460 -1.043 0.000 1.134 535 W HN 0.427 nan 8.180 nan 0.000 0.666 536 F N 0.220 120.245 119.950 0.126 0.000 2.735 536 F HA 0.309 4.837 4.527 0.002 0.000 0.304 536 F C 0.637 176.618 175.800 0.301 0.000 1.119 536 F CA -0.652 57.452 58.000 0.173 0.000 1.280 536 F CB -0.578 38.511 39.000 0.149 0.000 0.994 536 F HN -0.357 nan 8.300 nan 0.000 0.520 537 L N 1.788 123.174 121.223 0.272 0.000 2.485 537 L HA 0.236 4.577 4.340 0.002 0.000 0.275 537 L C 0.424 177.428 176.870 0.223 0.000 1.207 537 L CA 0.361 55.295 54.840 0.156 0.000 0.855 537 L CB 0.490 42.551 42.059 0.004 0.000 1.114 537 L HN 0.201 nan 8.230 nan 0.000 0.485 538 R N 0.911 121.465 120.500 0.090 0.000 2.803 538 R HA 0.351 4.692 4.340 0.002 0.000 0.276 538 R C -1.046 175.242 176.300 -0.020 0.000 0.978 538 R CA -0.982 55.124 56.100 0.010 0.000 0.939 538 R CB 1.688 31.932 30.300 -0.093 0.000 1.179 538 R HN 0.636 nan 8.270 nan 0.000 0.472 539 D N -0.101 120.283 120.400 -0.027 0.000 2.478 539 D HA -0.021 4.620 4.640 0.002 0.000 0.269 539 D C 0.540 176.817 176.300 -0.038 0.000 1.232 539 D CA -0.603 53.381 54.000 -0.027 0.000 1.059 539 D CB 0.359 41.151 40.800 -0.013 0.000 1.104 539 D HN 0.359 nan 8.370 nan 0.000 0.566 540 N N -0.949 117.733 118.700 -0.029 0.000 2.443 540 N HA -0.154 4.586 4.740 0.002 0.000 0.184 540 N C 0.726 176.217 175.510 -0.033 0.000 1.037 540 N CA 0.854 53.887 53.050 -0.029 0.000 0.896 540 N CB 0.012 38.487 38.487 -0.019 0.000 0.959 540 N HN 0.397 nan 8.380 nan 0.000 0.442 541 E N -1.404 118.775 120.200 -0.035 0.000 2.474 541 E HA 0.270 4.621 4.350 0.002 0.000 0.194 541 E C 1.044 177.608 176.600 -0.060 0.000 1.041 541 E CA 0.531 56.907 56.400 -0.039 0.000 0.874 541 E CB 0.012 29.693 29.700 -0.030 0.000 0.914 541 E HN 0.316 nan 8.360 nan 0.000 0.498 542 G N 1.464 110.217 108.800 -0.079 0.000 2.141 542 G HA2 -0.304 3.657 3.960 0.002 0.000 0.231 542 G HA3 -0.304 3.657 3.960 0.002 0.000 0.231 542 G C 0.136 174.913 174.900 -0.205 0.000 0.984 542 G CA 0.228 45.253 45.100 -0.126 0.000 0.660 542 G HN 0.277 nan 8.290 nan 0.000 0.525 543 R N -0.574 119.830 120.500 -0.160 0.000 2.598 543 R HA 0.715 5.056 4.340 0.002 0.000 0.279 543 R C -0.419 175.800 176.300 -0.135 0.000 0.984 543 R CA -0.982 55.006 56.100 -0.187 0.000 0.999 543 R CB 0.920 31.180 30.300 -0.066 0.000 1.114 543 R HN -0.004 nan 8.270 nan 0.000 0.493 544 F N 1.178 121.160 119.950 0.054 0.000 2.538 544 F HA 0.012 4.540 4.527 0.002 0.000 0.371 544 F C 1.502 177.331 175.800 0.049 0.000 1.087 544 F CA -0.229 57.812 58.000 0.068 0.000 1.250 544 F CB 1.079 40.131 39.000 0.087 0.000 1.110 544 F HN 0.375 nan 8.300 nan 0.000 0.570 545 V N 5.745 125.819 119.914 0.267 0.000 3.406 545 V HA 0.003 4.124 4.120 0.002 0.000 0.263 545 V C -0.085 176.140 176.094 0.218 0.000 1.172 545 V CA 0.472 62.872 62.300 0.167 0.000 1.140 545 V CB -0.270 31.612 31.823 0.098 0.000 0.784 545 V HN 0.706 nan 8.190 nan 0.000 0.467 546 W N 1.667 122.970 121.300 0.006 0.000 2.600 546 W HA 0.415 5.076 4.660 0.001 0.000 0.325 546 W C -2.137 174.328 176.519 -0.090 0.000 1.034 546 W CA -1.908 55.395 57.345 -0.071 0.000 1.226 546 W CB 2.161 31.561 29.460 -0.101 0.000 1.379 546 W HN 0.084 nan 8.180 nan 0.000 0.466 547 P HA 0.018 nan 4.420 nan 0.000 0.226 547 P C 1.044 178.087 177.300 -0.429 0.000 1.153 547 P CA 1.553 64.376 63.100 -0.462 0.000 0.777 547 P CB 0.444 31.841 31.700 -0.505 0.000 0.794 548 G N -0.271 108.043 108.800 -0.809 0.000 2.601 548 G HA2 -0.293 3.668 3.960 0.002 0.000 0.261 548 G HA3 -0.293 3.668 3.960 0.002 0.000 0.261 548 G C 0.113 174.776 174.900 -0.394 0.000 1.289 548 G CA -0.062 44.681 45.100 -0.596 0.000 0.920 548 G HN 0.168 nan 8.290 nan 0.000 0.571 549 F N -1.757 117.912 119.950 -0.468 0.000 3.078 549 F HA -0.300 4.228 4.527 0.001 0.000 0.250 549 F C 2.744 178.308 175.800 -0.394 0.000 1.463 549 F CA 3.014 60.785 58.000 -0.381 0.000 1.788 549 F CB -1.663 37.167 39.000 -0.284 0.000 0.886 549 F HN 1.572 nan 8.300 nan 0.000 0.305 550 G N -1.090 107.630 108.800 -0.134 0.000 2.462 550 G HA2 -0.237 3.724 3.960 0.002 0.000 0.220 550 G HA3 -0.237 3.724 3.960 0.002 0.000 0.220 550 G C 1.070 175.758 174.900 -0.353 0.000 1.121 550 G CA 1.307 46.240 45.100 -0.278 0.000 0.758 550 G HN 0.709 nan 8.290 nan 0.000 0.559 551 H N 0.552 119.473 119.070 -0.248 0.000 2.546 551 H HA 0.021 4.577 4.556 0.002 0.000 0.277 551 H C 2.085 177.340 175.328 -0.122 0.000 1.004 551 H CA 0.789 56.663 56.048 -0.291 0.000 1.231 551 H CB 0.042 29.451 29.762 -0.590 0.000 1.382 551 H HN 0.253 nan 8.280 nan 0.000 0.580 552 N N 1.202 119.812 118.700 -0.150 0.000 2.348 552 N HA -0.104 4.637 4.740 0.002 0.000 0.185 552 N C 1.996 177.436 175.510 -0.117 0.000 1.019 552 N CA 0.889 53.776 53.050 -0.272 0.000 0.880 552 N CB -0.181 37.777 38.487 -0.882 0.000 0.965 552 N HN 0.349 nan 8.380 nan 0.000 0.437 553 A N 1.263 124.012 122.820 -0.118 0.000 1.978 553 A HA -0.148 4.173 4.320 0.002 0.000 0.220 553 A C 2.232 179.709 177.584 -0.178 0.000 1.170 553 A CA 1.180 53.132 52.037 -0.141 0.000 0.636 553 A CB -0.356 18.549 19.000 -0.158 0.000 0.810 553 A HN 0.271 nan 8.150 nan 0.000 0.448 554 R N -0.830 119.652 120.500 -0.031 0.000 2.096 554 R HA -0.055 4.286 4.340 0.002 0.000 0.235 554 R C 1.958 178.290 176.300 0.054 0.000 1.127 554 R CA 1.346 57.452 56.100 0.009 0.000 0.968 554 R CB -0.527 29.914 30.300 0.236 0.000 0.861 554 R HN 0.385 nan 8.270 nan 0.000 0.440 555 V N 1.439 121.426 119.914 0.122 0.000 2.307 555 V HA -0.209 3.912 4.120 0.002 0.000 0.245 555 V C 2.240 178.419 176.094 0.142 0.000 1.045 555 V CA 1.647 64.040 62.300 0.155 0.000 1.024 555 V CB -0.424 31.538 31.823 0.232 0.000 0.651 555 V HN 0.279 nan 8.190 nan 0.000 0.449 556 L N 0.150 121.401 121.223 0.046 0.000 2.131 556 L HA -0.146 4.195 4.340 0.002 0.000 0.210 556 L C 2.726 179.540 176.870 -0.094 0.000 1.092 556 L CA 1.439 56.276 54.840 -0.005 0.000 0.759 556 L CB -0.867 41.196 42.059 0.007 0.000 0.903 556 L HN 0.370 nan 8.230 nan 0.000 0.435 557 A N -0.396 122.209 122.820 -0.358 0.000 1.902 557 A HA -0.265 4.056 4.320 0.002 0.000 0.217 557 A C 2.014 179.537 177.584 -0.101 0.000 1.181 557 A CA 1.503 53.110 52.037 -0.717 0.000 0.623 557 A CB -0.956 17.261 19.000 -1.306 0.000 0.818 557 A HN 0.622 nan 8.150 nan 0.000 0.443 558 W N 0.710 121.937 121.300 -0.121 0.000 2.358 558 W HA -0.150 4.511 4.660 0.002 0.000 0.303 558 W C 1.744 178.285 176.519 0.037 0.000 1.208 558 W CA 1.847 59.196 57.345 0.007 0.000 1.274 558 W CB -0.278 29.200 29.460 0.030 0.000 1.138 558 W HN 0.294 nan 8.180 nan 0.000 0.515 559 I N -0.187 120.334 120.570 -0.082 0.000 2.208 559 I HA -0.323 3.848 4.170 0.002 0.000 0.245 559 I C 2.406 178.385 176.117 -0.230 0.000 1.097 559 I CA 1.637 62.668 61.300 -0.448 0.000 1.363 559 I CB -0.856 36.786 38.000 -0.597 0.000 1.051 559 I HN -0.018 nan 8.210 nan 0.000 0.413 560 F N 1.743 121.598 119.950 -0.158 0.000 2.126 560 F HA -0.156 4.372 4.527 0.001 0.000 0.299 560 F C 2.333 178.125 175.800 -0.012 0.000 1.096 560 F CA 1.739 59.740 58.000 0.001 0.000 1.255 560 F CB -0.765 38.364 39.000 0.215 0.000 0.997 560 F HN -0.008 nan 8.300 nan 0.000 0.479 561 G N 0.214 109.163 108.800 0.248 0.000 2.422 561 G HA2 -0.214 3.746 3.960 0.002 0.000 0.218 561 G HA3 -0.214 3.746 3.960 0.002 0.000 0.218 561 G C 1.818 176.653 174.900 -0.108 0.000 1.146 561 G CA 0.420 45.584 45.100 0.107 0.000 0.769 561 G HN 0.164 nan 8.290 nan 0.000 0.547 562 R N 0.244 120.564 120.500 -0.301 0.000 2.075 562 R HA 0.082 4.423 4.340 0.002 0.000 0.232 562 R C 2.571 178.796 176.300 -0.126 0.000 1.126 562 R CA 0.580 56.503 56.100 -0.296 0.000 0.963 562 R CB -0.854 29.184 30.300 -0.436 0.000 0.858 562 R HN 0.449 nan 8.270 nan 0.000 0.435 563 I N 1.320 121.829 120.570 -0.103 0.000 2.208 563 I HA -0.309 3.862 4.170 0.002 0.000 0.245 563 I C 2.180 178.229 176.117 -0.113 0.000 1.097 563 I CA 1.457 62.700 61.300 -0.094 0.000 1.363 563 I CB -0.298 37.592 38.000 -0.184 0.000 1.051 563 I HN 0.204 nan 8.210 nan 0.000 0.413 564 Q N 0.372 120.094 119.800 -0.129 0.000 2.437 564 Q HA -0.026 4.315 4.340 0.002 0.000 0.210 564 Q C 1.405 177.379 176.000 -0.043 0.000 0.972 564 Q CA 0.801 56.560 55.803 -0.074 0.000 0.903 564 Q CB 0.120 28.855 28.738 -0.004 0.000 0.967 564 Q HN 0.718 nan 8.270 nan 0.000 0.486 565 G N 1.276 110.040 108.800 -0.060 0.000 2.131 565 G HA2 -0.256 3.705 3.960 0.002 0.000 0.223 565 G HA3 -0.256 3.705 3.960 0.002 0.000 0.223 565 G C -0.229 174.635 174.900 -0.059 0.000 0.990 565 G CA -0.378 44.686 45.100 -0.060 0.000 0.671 565 G HN 0.180 nan 8.290 nan 0.000 0.521 566 R N 0.129 120.594 120.500 -0.058 0.000 2.643 566 R HA 0.279 4.620 4.340 0.002 0.000 0.270 566 R C -0.236 176.028 176.300 -0.061 0.000 1.061 566 R CA -0.181 55.897 56.100 -0.035 0.000 1.107 566 R CB 0.477 30.776 30.300 -0.001 0.000 0.999 566 R HN 0.111 nan 8.270 nan 0.000 0.460 567 D N 1.782 122.166 120.400 -0.026 0.000 2.713 567 D HA 0.007 4.648 4.640 0.002 0.000 0.229 567 D C 0.206 176.523 176.300 0.028 0.000 1.136 567 D CA 0.016 53.999 54.000 -0.029 0.000 1.010 567 D CB 0.047 40.841 40.800 -0.009 0.000 1.084 567 D HN 0.560 nan 8.370 nan 0.000 0.495 568 T N -1.565 113.025 114.554 0.060 0.000 3.182 568 T HA 0.624 4.975 4.350 0.002 0.000 0.277 568 T C 0.386 175.319 174.700 0.388 0.000 1.013 568 T CA -0.530 61.701 62.100 0.219 0.000 0.900 568 T CB 0.507 69.545 68.868 0.283 0.000 1.098 568 T HN 0.175 nan 8.240 nan 0.000 0.543 569 A N 1.997 124.960 122.820 0.238 0.000 2.413 569 A HA 0.899 5.220 4.320 0.002 0.000 0.307 569 A C -0.412 177.364 177.584 0.321 0.000 1.087 569 A CA -1.423 50.821 52.037 0.346 0.000 0.750 569 A CB 1.547 20.737 19.000 0.317 0.000 1.296 569 A HN 0.613 nan 8.150 nan 0.000 0.423 570 R N 0.993 121.745 120.500 0.420 0.000 2.750 570 R HA 0.756 5.097 4.340 0.002 0.000 0.281 570 R C -3.137 173.469 176.300 0.511 0.000 0.972 570 R CA -1.869 54.487 56.100 0.427 0.000 0.912 570 R CB 2.142 32.568 30.300 0.210 0.000 1.187 570 R HN 0.432 nan 8.270 nan 0.000 0.464 571 P HA 0.122 nan 4.420 nan 0.000 0.284 571 P C -0.796 176.548 177.300 0.073 0.000 1.253 571 P CA -0.143 63.005 63.100 0.080 0.000 0.800 571 P CB 1.739 33.369 31.700 -0.117 0.000 0.961 572 T N -1.082 113.505 114.554 0.055 0.000 2.864 572 T HA 0.496 4.847 4.350 0.002 0.000 0.289 572 T C -2.280 172.432 174.700 0.020 0.000 1.082 572 T CA -2.199 59.916 62.100 0.024 0.000 1.009 572 T CB 1.047 69.916 68.868 0.002 0.000 1.234 572 T HN -0.020 nan 8.240 nan 0.000 0.526 573 P HA 0.096 nan 4.420 nan 0.000 0.223 573 P C 1.124 178.322 177.300 -0.170 0.000 1.144 573 P CA 0.499 63.543 63.100 -0.092 0.000 0.783 573 P CB 0.109 31.730 31.700 -0.132 0.000 0.771 574 I N -3.055 117.369 120.570 -0.242 0.000 4.070 574 I HA 0.293 4.464 4.170 0.002 0.000 0.328 574 I C 0.702 176.642 176.117 -0.295 0.000 1.298 574 I CA 0.525 61.615 61.300 -0.350 0.000 1.173 574 I CB 0.477 38.143 38.000 -0.557 0.000 1.051 574 I HN -0.000 nan 8.210 nan 0.000 0.409 575 G N -0.136 108.382 108.800 -0.470 0.000 2.350 575 G HA2 -0.036 3.925 3.960 0.002 0.000 0.282 575 G HA3 -0.036 3.925 3.960 0.002 0.000 0.282 575 G C -1.977 172.582 174.900 -0.567 0.000 1.314 575 G CA -0.888 43.569 45.100 -1.071 0.000 0.915 575 G HN 0.172 nan 8.290 nan 0.000 0.499 576 W N 0.566 121.699 121.300 -0.277 0.000 2.238 576 W HA 0.502 5.163 4.660 0.002 0.000 0.321 576 W C 0.855 177.433 176.519 0.099 0.000 1.293 576 W CA 0.020 57.411 57.345 0.078 0.000 1.204 576 W CB 1.407 30.992 29.460 0.209 0.000 1.167 576 W HN 0.578 nan 8.180 nan 0.000 0.553 577 V N 1.344 121.424 119.914 0.276 0.000 2.960 577 V HA 0.670 4.791 4.120 0.002 0.000 0.315 577 V C -2.450 173.506 176.094 -0.231 0.000 1.087 577 V CA -3.545 58.691 62.300 -0.106 0.000 0.982 577 V CB 1.593 33.208 31.823 -0.347 0.000 1.039 577 V HN 0.282 nan 8.190 nan 0.000 0.437 578 P HA 0.189 nan 4.420 nan 0.000 0.268 578 P C -0.668 176.480 177.300 -0.254 0.000 1.205 578 P CA -0.003 62.698 63.100 -0.665 0.000 0.771 578 P CB 0.289 31.239 31.700 -1.251 0.000 0.858 579 K N 1.596 121.980 120.400 -0.026 0.000 2.382 579 K HA 0.026 4.347 4.320 0.002 0.000 0.275 579 K C 0.648 177.122 176.600 -0.210 0.000 1.009 579 K CA -0.079 56.171 56.287 -0.061 0.000 0.970 579 K CB 0.279 32.786 32.500 0.013 0.000 0.934 579 K HN 0.475 nan 8.250 nan 0.000 0.479 580 E N 0.617 120.495 120.200 -0.537 0.000 2.480 580 E HA -0.068 4.283 4.350 0.002 0.000 0.258 580 E C 0.734 177.148 176.600 -0.310 0.000 0.984 580 E CA 0.950 56.848 56.400 -0.837 0.000 0.930 580 E CB 0.134 29.175 29.700 -1.099 0.000 0.936 580 E HN 0.764 nan 8.360 nan 0.000 0.466 581 G N 4.471 113.169 108.800 -0.169 0.000 2.232 581 G HA2 -0.226 3.735 3.960 0.002 0.000 0.226 581 G HA3 -0.226 3.735 3.960 0.002 0.000 0.226 581 G C 0.619 175.534 174.900 0.025 0.000 0.996 581 G CA 0.248 45.319 45.100 -0.047 0.000 0.626 581 G HN 0.663 nan 8.290 nan 0.000 0.509 582 D N -0.301 120.122 120.400 0.039 0.000 2.379 582 D HA 0.242 4.883 4.640 0.002 0.000 0.208 582 D C 0.707 177.121 176.300 0.191 0.000 1.065 582 D CA 0.102 54.190 54.000 0.147 0.000 0.848 582 D CB 0.733 41.662 40.800 0.215 0.000 0.949 582 D HN 0.431 nan 8.370 nan 0.000 0.509 583 L N 1.619 122.896 121.223 0.089 0.000 2.272 583 L HA 0.285 4.625 4.340 0.002 0.000 0.289 583 L C -0.507 176.449 176.870 0.144 0.000 1.032 583 L CA -0.589 54.313 54.840 0.104 0.000 0.810 583 L CB 1.474 43.569 42.059 0.060 0.000 1.205 583 L HN -0.313 nan 8.230 nan 0.000 0.422 584 D N 5.029 125.516 120.400 0.145 0.000 2.344 584 D HA 0.130 4.771 4.640 0.002 0.000 0.253 584 D C 0.335 176.724 176.300 0.148 0.000 1.255 584 D CA 0.282 54.357 54.000 0.125 0.000 0.894 584 D CB 0.613 41.470 40.800 0.095 0.000 1.067 584 D HN 0.665 nan 8.370 nan 0.000 0.492 585 L N 3.001 124.304 121.223 0.134 0.000 2.857 585 L HA 0.323 4.664 4.340 0.002 0.000 0.249 585 L C 1.417 178.320 176.870 0.055 0.000 1.172 585 L CA -0.581 54.332 54.840 0.122 0.000 0.980 585 L CB 0.536 42.693 42.059 0.163 0.000 1.299 585 L HN 0.332 nan 8.230 nan 0.000 0.535 586 G N -0.372 108.460 108.800 0.053 0.000 2.340 586 G HA2 0.336 4.297 3.960 0.002 0.000 0.245 586 G HA3 0.336 4.297 3.960 0.002 0.000 0.245 586 G C 1.117 176.024 174.900 0.012 0.000 1.294 586 G CA 0.587 45.708 45.100 0.034 0.000 0.896 586 G HN 0.423 nan 8.290 nan 0.000 0.522 587 G N 0.869 109.667 108.800 -0.003 0.000 2.179 587 G HA2 -0.249 3.712 3.960 0.002 0.000 0.260 587 G HA3 -0.249 3.712 3.960 0.002 0.000 0.260 587 G C 0.388 175.242 174.900 -0.077 0.000 0.977 587 G CA 0.416 45.503 45.100 -0.021 0.000 0.641 587 G HN 0.891 nan 8.290 nan 0.000 0.533 588 L N 1.637 122.803 121.223 -0.095 0.000 2.504 588 L HA 0.313 4.653 4.340 0.002 0.000 0.249 588 L C -0.715 176.111 176.870 -0.073 0.000 1.120 588 L CA -1.662 53.086 54.840 -0.154 0.000 0.997 588 L CB 1.303 43.221 42.059 -0.236 0.000 1.349 588 L HN -0.018 nan 8.230 nan 0.000 0.439 589 P HA -0.073 nan 4.420 nan 0.000 0.221 589 P C 1.348 178.639 177.300 -0.014 0.000 1.150 589 P CA 0.823 63.909 63.100 -0.023 0.000 0.800 589 P CB 0.448 32.135 31.700 -0.022 0.000 0.787 590 G N 0.067 108.849 108.800 -0.031 0.000 2.623 590 G HA2 0.035 3.995 3.960 0.002 0.000 0.214 590 G HA3 0.035 3.995 3.960 0.002 0.000 0.214 590 G C 0.500 175.404 174.900 0.006 0.000 1.138 590 G CA 0.009 45.100 45.100 -0.015 0.000 0.794 590 G HN 0.174 nan 8.290 nan 0.000 0.535 591 V N 1.907 121.825 119.914 0.007 0.000 2.455 591 V HA 0.183 4.304 4.120 0.002 0.000 0.273 591 V C -0.504 175.652 176.094 0.103 0.000 1.045 591 V CA -0.716 61.619 62.300 0.060 0.000 0.976 591 V CB 1.444 33.309 31.823 0.070 0.000 0.993 591 V HN 0.222 nan 8.190 nan 0.000 0.475 592 D N 3.479 123.943 120.400 0.107 0.000 2.329 592 D HA 0.107 4.748 4.640 0.002 0.000 0.232 592 D C 0.613 177.014 176.300 0.167 0.000 1.088 592 D CA -0.490 53.587 54.000 0.128 0.000 0.835 592 D CB 1.309 42.163 40.800 0.090 0.000 1.078 592 D HN 0.583 nan 8.370 nan 0.000 0.495 593 Y N 3.701 124.069 120.300 0.114 0.000 2.102 593 Y HA -0.308 4.243 4.550 0.002 0.000 0.280 593 Y C 2.120 178.143 175.900 0.205 0.000 1.178 593 Y CA 2.072 60.279 58.100 0.179 0.000 1.146 593 Y CB -0.098 38.451 38.460 0.148 0.000 0.968 593 Y HN 0.360 nan 8.280 nan 0.000 0.504 594 S N -0.025 115.815 115.700 0.234 0.000 2.419 594 S HA -0.229 4.242 4.470 0.002 0.000 0.233 594 S C 1.788 176.391 174.600 0.005 0.000 1.016 594 S CA 1.447 59.723 58.200 0.127 0.000 0.974 594 S CB -0.287 63.015 63.200 0.170 0.000 0.786 594 S HN 0.612 nan 8.310 nan 0.000 0.492 595 Q N 0.021 119.816 119.800 -0.009 0.000 2.297 595 Q HA 0.105 4.446 4.340 0.002 0.000 0.204 595 Q C 1.730 177.629 176.000 -0.168 0.000 0.962 595 Q CA 0.687 56.458 55.803 -0.054 0.000 0.879 595 Q CB -0.100 28.631 28.738 -0.012 0.000 0.947 595 Q HN 0.499 nan 8.270 nan 0.000 0.462 596 L N -1.121 119.921 121.223 -0.301 0.000 2.418 596 L HA 0.033 4.374 4.340 0.002 0.000 0.218 596 L C 0.189 176.395 176.870 -1.107 0.000 1.125 596 L CA 0.394 54.826 54.840 -0.681 0.000 0.835 596 L CB 0.329 41.884 42.059 -0.839 0.000 0.953 596 L HN 0.088 nan 8.230 nan 0.000 0.454 597 F N 0.512 120.262 119.950 -0.334 0.000 2.542 597 F HA 0.326 4.854 4.527 0.002 0.000 0.323 597 F C -2.110 173.600 175.800 -0.150 0.000 1.411 597 F CA -2.155 55.674 58.000 -0.286 0.000 1.124 597 F CB 0.154 38.882 39.000 -0.453 0.000 1.331 597 F HN -0.147 nan 8.300 nan 0.000 0.560 598 P HA 0.142 nan 4.420 nan 0.000 0.271 598 P C -0.255 177.103 177.300 0.097 0.000 1.218 598 P CA -0.032 63.072 63.100 0.006 0.000 0.780 598 P CB 1.248 32.902 31.700 -0.076 0.000 0.901 599 M N 2.166 121.839 119.600 0.121 0.000 1.986 599 M HA 0.233 4.714 4.480 0.002 0.000 0.247 599 M C -0.367 176.056 176.300 0.204 0.000 0.851 599 M CA -0.026 55.386 55.300 0.187 0.000 0.785 599 M CB 0.548 33.225 32.600 0.128 0.000 1.554 599 M HN 0.308 nan 8.290 nan 0.000 0.361 600 E N 1.210 121.573 120.200 0.273 0.000 2.081 600 E HA 0.224 4.575 4.350 0.002 0.000 0.276 600 E C 0.694 177.499 176.600 0.343 0.000 0.950 600 E CA -0.329 56.205 56.400 0.223 0.000 0.776 600 E CB 2.355 32.130 29.700 0.124 0.000 1.094 600 E HN 0.401 nan 8.360 nan 0.000 0.402 601 K N 3.120 123.669 120.400 0.248 0.000 2.009 601 K HA -0.185 4.136 4.320 0.002 0.000 0.210 601 K C 1.915 178.642 176.600 0.212 0.000 1.049 601 K CA 1.839 58.269 56.287 0.238 0.000 0.929 601 K CB -0.314 32.271 32.500 0.142 0.000 0.714 601 K HN 0.656 nan 8.250 nan 0.000 0.440 602 G N 0.747 109.633 108.800 0.144 0.000 2.476 602 G HA2 -0.321 3.640 3.960 0.002 0.000 0.218 602 G HA3 -0.321 3.640 3.960 0.002 0.000 0.218 602 G C 1.361 176.297 174.900 0.059 0.000 1.164 602 G CA 0.996 46.149 45.100 0.088 0.000 0.768 602 G HN 0.455 nan 8.290 nan 0.000 0.560 603 F N 0.217 120.121 119.950 -0.077 0.000 2.095 603 F HA -0.114 4.414 4.527 0.002 0.000 0.298 603 F C 2.379 177.994 175.800 -0.307 0.000 1.104 603 F CA 1.819 59.668 58.000 -0.251 0.000 1.232 603 F CB -0.247 38.507 39.000 -0.410 0.000 0.987 603 F HN 0.231 nan 8.300 nan 0.000 0.475 604 W N 0.933 122.274 121.300 0.067 0.000 2.467 604 W HA -0.035 4.626 4.660 0.002 0.000 0.275 604 W C 2.361 178.827 176.519 -0.088 0.000 1.239 604 W CA 1.090 58.419 57.345 -0.026 0.000 1.266 604 W CB -0.425 29.109 29.460 0.124 0.000 1.112 604 W HN 0.063 nan 8.180 nan 0.000 0.576 605 E N 0.290 120.563 120.200 0.122 0.000 2.077 605 E HA -0.264 4.087 4.350 0.002 0.000 0.193 605 E C 1.840 178.417 176.600 -0.039 0.000 0.989 605 E CA 1.544 57.975 56.400 0.052 0.000 0.800 605 E CB -0.179 29.549 29.700 0.047 0.000 0.746 605 E HN 0.154 nan 8.360 nan 0.000 0.452 606 E N 1.258 121.374 120.200 -0.141 0.000 2.072 606 E HA -0.222 4.129 4.350 0.002 0.000 0.191 606 E C 1.838 178.282 176.600 -0.260 0.000 0.985 606 E CA 1.328 57.608 56.400 -0.200 0.000 0.801 606 E CB -0.020 29.527 29.700 -0.254 0.000 0.750 606 E HN 0.085 nan 8.360 nan 0.000 0.452 607 E N -0.411 119.535 120.200 -0.425 0.000 2.058 607 E HA -0.165 4.186 4.350 0.002 0.000 0.194 607 E C 1.988 178.533 176.600 -0.092 0.000 0.997 607 E CA 1.642 57.813 56.400 -0.383 0.000 0.801 607 E CB -0.626 28.735 29.700 -0.565 0.000 0.746 607 E HN 0.391 nan 8.360 nan 0.000 0.450 608 C N 0.262 119.576 119.300 0.023 0.000 2.432 608 C HA -0.064 4.397 4.460 0.002 0.000 0.277 608 C C 2.586 177.597 174.990 0.035 0.000 1.249 608 C CA 0.933 60.003 59.018 0.087 0.000 1.725 608 C CB -0.970 26.838 27.740 0.114 0.000 2.028 608 C HN 0.448 nan 8.230 nan 0.000 0.477 609 R N 0.344 120.843 120.500 -0.002 0.000 2.083 609 R HA -0.173 4.167 4.340 0.002 0.000 0.237 609 R C 2.360 178.651 176.300 -0.014 0.000 1.137 609 R CA 1.506 57.602 56.100 -0.007 0.000 0.951 609 R CB -0.405 29.881 30.300 -0.022 0.000 0.851 609 R HN 0.689 nan 8.270 nan 0.000 0.434 610 Q N 0.372 120.148 119.800 -0.040 0.000 2.124 610 Q HA -0.119 4.222 4.340 0.002 0.000 0.202 610 Q C 2.279 178.270 176.000 -0.014 0.000 0.977 610 Q CA 1.126 56.916 55.803 -0.020 0.000 0.850 610 Q CB -0.066 28.642 28.738 -0.051 0.000 0.901 610 Q HN 0.364 nan 8.270 nan 0.000 0.429 611 L N 0.134 121.321 121.223 -0.060 0.000 2.056 611 L HA -0.186 4.155 4.340 0.002 0.000 0.207 611 L C 2.549 179.275 176.870 -0.240 0.000 1.078 611 L CA 1.121 55.820 54.840 -0.234 0.000 0.749 611 L CB -0.313 41.633 42.059 -0.188 0.000 0.901 611 L HN 0.169 nan 8.230 nan 0.000 0.433 612 R N -0.072 120.417 120.500 -0.019 0.000 2.083 612 R HA -0.237 4.104 4.340 0.002 0.000 0.237 612 R C 2.219 178.546 176.300 0.046 0.000 1.137 612 R CA 1.812 57.955 56.100 0.072 0.000 0.951 612 R CB -0.292 30.050 30.300 0.070 0.000 0.851 612 R HN 0.309 nan 8.270 nan 0.000 0.434 613 E N 0.204 120.414 120.200 0.017 0.000 2.085 613 E HA -0.245 4.106 4.350 0.002 0.000 0.194 613 E C 1.789 178.397 176.600 0.013 0.000 0.994 613 E CA 1.371 57.783 56.400 0.020 0.000 0.801 613 E CB -0.306 29.408 29.700 0.023 0.000 0.743 613 E HN 0.379 nan 8.360 nan 0.000 0.453 614 Y N -0.283 119.909 120.300 -0.180 0.000 2.163 614 Y HA -0.190 4.360 4.550 0.001 0.000 0.288 614 Y C 1.745 177.614 175.900 -0.053 0.000 1.136 614 Y CA 1.908 59.843 58.100 -0.276 0.000 1.147 614 Y CB -0.573 37.426 38.460 -0.768 0.000 0.987 614 Y HN 0.165 nan 8.280 nan 0.000 0.509 615 Y N -0.396 119.812 120.300 -0.154 0.000 2.181 615 Y HA -0.165 4.386 4.550 0.002 0.000 0.288 615 Y C 2.735 178.594 175.900 -0.068 0.000 1.146 615 Y CA 0.404 58.415 58.100 -0.149 0.000 1.164 615 Y CB -0.737 37.677 38.460 -0.075 0.000 0.982 615 Y HN 0.244 nan 8.280 nan 0.000 0.515 616 G N 0.030 108.898 108.800 0.113 0.000 2.459 616 G HA2 -0.243 3.718 3.960 0.002 0.000 0.217 616 G HA3 -0.243 3.718 3.960 0.002 0.000 0.217 616 G C 1.478 176.381 174.900 0.005 0.000 1.183 616 G CA 1.095 46.228 45.100 0.056 0.000 0.776 616 G HN 0.241 nan 8.290 nan 0.000 0.552 617 E N 0.828 121.008 120.200 -0.033 0.000 2.047 617 E HA -0.062 4.288 4.350 0.002 0.000 0.191 617 E C 2.291 178.825 176.600 -0.110 0.000 0.987 617 E CA 1.131 57.495 56.400 -0.060 0.000 0.799 617 E CB -0.258 29.413 29.700 -0.050 0.000 0.752 617 E HN 0.530 nan 8.360 nan 0.000 0.449 618 N N -1.345 117.242 118.700 -0.189 0.000 2.388 618 N HA 0.075 4.816 4.740 0.002 0.000 0.176 618 N C 1.167 176.416 175.510 -0.436 0.000 1.062 618 N CA 0.231 53.088 53.050 -0.322 0.000 0.895 618 N CB 0.196 38.393 38.487 -0.482 0.000 1.018 618 N HN 0.007 nan 8.380 nan 0.000 0.456 619 F N 0.065 119.877 119.950 -0.230 0.000 2.553 619 F HA 0.373 4.901 4.527 0.002 0.000 0.282 619 F C 1.927 177.651 175.800 -0.127 0.000 1.089 619 F CA 0.518 58.413 58.000 -0.175 0.000 1.411 619 F CB -0.340 38.563 39.000 -0.162 0.000 1.125 619 F HN 0.005 nan 8.300 nan 0.000 0.610 620 G N 1.175 110.023 108.800 0.079 0.000 2.596 620 G HA2 -0.374 3.587 3.960 0.002 0.000 0.295 620 G HA3 -0.374 3.587 3.960 0.002 0.000 0.295 620 G C 1.272 176.188 174.900 0.026 0.000 1.240 620 G CA 0.539 45.653 45.100 0.024 0.000 0.985 620 G HN 0.673 nan 8.290 nan 0.000 0.555 621 A N -0.924 121.896 122.820 -0.000 0.000 2.172 621 A HA 0.200 4.521 4.320 0.002 0.000 0.216 621 A C 1.814 179.399 177.584 0.001 0.000 1.154 621 A CA 2.201 54.234 52.037 -0.005 0.000 0.701 621 A CB -0.262 18.728 19.000 -0.016 0.000 0.789 621 A HN 0.543 nan 8.150 nan 0.000 0.465 622 D N -0.953 119.457 120.400 0.017 0.000 2.355 622 D HA 0.080 4.721 4.640 0.002 0.000 0.218 622 D C 0.388 176.742 176.300 0.089 0.000 1.004 622 D CA 0.036 54.057 54.000 0.036 0.000 0.880 622 D CB -0.111 40.691 40.800 0.004 0.000 0.911 622 D HN 0.389 nan 8.370 nan 0.000 0.528 623 L N 2.051 123.319 121.223 0.075 0.000 2.462 623 L HA 0.206 4.547 4.340 0.002 0.000 0.272 623 L C -2.240 174.580 176.870 -0.083 0.000 1.166 623 L CA -1.125 53.676 54.840 -0.065 0.000 0.880 623 L CB 0.390 42.324 42.059 -0.207 0.000 1.142 623 L HN -0.239 nan 8.230 nan 0.000 0.473 624 P HA 0.094 nan 4.420 nan 0.000 0.268 624 P C -0.084 177.170 177.300 -0.076 0.000 1.205 624 P CA -0.283 62.788 63.100 -0.050 0.000 0.771 624 P CB 0.642 32.332 31.700 -0.016 0.000 0.858 625 R N 3.185 123.659 120.500 -0.044 0.000 2.103 625 R HA -0.198 4.143 4.340 0.002 0.000 0.242 625 R C 1.172 177.441 176.300 -0.052 0.000 1.142 625 R CA 2.026 58.098 56.100 -0.047 0.000 0.960 625 R CB -1.270 29.015 30.300 -0.026 0.000 0.858 625 R HN 0.401 nan 8.270 nan 0.000 0.439 626 D N -0.488 119.897 120.400 -0.026 0.000 2.149 626 D HA -0.132 4.508 4.640 0.002 0.000 0.198 626 D C 1.874 178.155 176.300 -0.032 0.000 0.990 626 D CA 1.573 55.569 54.000 -0.008 0.000 0.839 626 D CB -0.112 40.715 40.800 0.045 0.000 0.948 626 D HN 0.158 nan 8.370 nan 0.000 0.460 627 V N 0.917 120.792 119.914 -0.065 0.000 2.295 627 V HA -0.252 3.869 4.120 0.002 0.000 0.246 627 V C 2.367 178.374 176.094 -0.145 0.000 1.049 627 V CA 1.436 63.682 62.300 -0.090 0.000 1.024 627 V CB -0.403 31.267 31.823 -0.255 0.000 0.648 627 V HN 0.148 nan 8.190 nan 0.000 0.447 628 M N 0.932 120.428 119.600 -0.173 0.000 2.149 628 M HA -0.087 4.394 4.480 0.002 0.000 0.261 628 M C 2.009 178.240 176.300 -0.115 0.000 1.064 628 M CA 2.049 57.281 55.300 -0.115 0.000 1.102 628 M CB -0.846 31.703 32.600 -0.085 0.000 1.369 628 M HN 0.274 nan 8.290 nan 0.000 0.408 629 A N -0.395 122.358 122.820 -0.112 0.000 1.902 629 A HA -0.140 4.181 4.320 0.002 0.000 0.217 629 A C 2.050 179.524 177.584 -0.183 0.000 1.181 629 A CA 1.759 53.729 52.037 -0.112 0.000 0.623 629 A CB -0.719 18.237 19.000 -0.073 0.000 0.818 629 A HN 0.550 nan 8.150 nan 0.000 0.443 630 E N -0.486 119.561 120.200 -0.254 0.000 2.106 630 E HA -0.159 4.192 4.350 0.002 0.000 0.192 630 E C 1.981 178.123 176.600 -0.762 0.000 0.984 630 E CA 1.060 57.187 56.400 -0.454 0.000 0.806 630 E CB -0.506 28.946 29.700 -0.414 0.000 0.750 630 E HN 0.503 nan 8.360 nan 0.000 0.458 631 L N 1.916 122.694 121.223 -0.741 0.000 2.012 631 L HA -0.198 4.143 4.340 0.002 0.000 0.210 631 L C 1.930 178.673 176.870 -0.211 0.000 1.073 631 L CA 1.893 56.467 54.840 -0.443 0.000 0.748 631 L CB -0.468 41.598 42.059 0.012 0.000 0.891 631 L HN 0.038 nan 8.230 nan 0.000 0.431 632 E N -0.775 119.329 120.200 -0.159 0.000 2.118 632 E HA -0.180 4.171 4.350 0.002 0.000 0.195 632 E C 2.071 178.596 176.600 -0.125 0.000 0.992 632 E CA 0.982 57.319 56.400 -0.104 0.000 0.804 632 E CB -0.529 29.122 29.700 -0.082 0.000 0.741 632 E HN 0.702 nan 8.360 nan 0.000 0.458 633 G N 1.404 110.095 108.800 -0.181 0.000 2.421 633 G HA2 -0.263 3.698 3.960 0.002 0.000 0.216 633 G HA3 -0.263 3.698 3.960 0.002 0.000 0.216 633 G C 1.540 176.338 174.900 -0.170 0.000 1.171 633 G CA 0.660 45.651 45.100 -0.182 0.000 0.775 633 G HN 0.164 nan 8.290 nan 0.000 0.543 634 L N 0.825 121.929 121.223 -0.199 0.000 2.012 634 L HA -0.054 4.287 4.340 0.002 0.000 0.210 634 L C 2.654 179.486 176.870 -0.064 0.000 1.073 634 L CA 2.331 57.098 54.840 -0.121 0.000 0.748 634 L CB -0.769 41.254 42.059 -0.059 0.000 0.891 634 L HN 0.397 nan 8.230 nan 0.000 0.431 635 E N -0.695 119.479 120.200 -0.043 0.000 2.118 635 E HA -0.297 4.054 4.350 0.002 0.000 0.195 635 E C 2.088 178.674 176.600 -0.025 0.000 0.992 635 E CA 1.449 57.843 56.400 -0.009 0.000 0.804 635 E CB -0.161 29.538 29.700 -0.003 0.000 0.741 635 E HN 0.664 nan 8.360 nan 0.000 0.458 636 E N 0.941 121.109 120.200 -0.053 0.000 2.077 636 E HA -0.195 4.156 4.350 0.002 0.000 0.193 636 E C 2.097 178.663 176.600 -0.057 0.000 0.989 636 E CA 0.857 57.224 56.400 -0.055 0.000 0.800 636 E CB 0.135 29.790 29.700 -0.075 0.000 0.746 636 E HN 0.125 nan 8.360 nan 0.000 0.452 637 R N -0.054 120.401 120.500 -0.075 0.000 2.092 637 R HA -0.090 4.251 4.340 0.002 0.000 0.231 637 R C 2.442 178.712 176.300 -0.049 0.000 1.119 637 R CA 1.231 57.286 56.100 -0.076 0.000 0.970 637 R CB -0.201 30.041 30.300 -0.096 0.000 0.864 637 R HN 0.133 nan 8.270 nan 0.000 0.440 638 V N 1.013 120.907 119.914 -0.032 0.000 2.515 638 V HA -0.211 3.910 4.120 0.002 0.000 0.250 638 V C 2.309 178.420 176.094 0.028 0.000 1.058 638 V CA 1.549 63.858 62.300 0.016 0.000 1.064 638 V CB -0.490 31.377 31.823 0.073 0.000 0.675 638 V HN 0.286 nan 8.190 nan 0.000 0.461 639 R N -0.019 120.488 120.500 0.011 0.000 2.105 639 R HA -0.206 4.135 4.340 0.002 0.000 0.239 639 R C 2.418 178.722 176.300 0.007 0.000 1.135 639 R CA 1.656 57.762 56.100 0.011 0.000 0.967 639 R CB -0.277 30.022 30.300 -0.002 0.000 0.861 639 R HN 0.427 nan 8.270 nan 0.000 0.442 640 K N 0.668 121.065 120.400 -0.005 0.000 2.148 640 K HA -0.073 4.248 4.320 0.002 0.000 0.204 640 K C 1.332 177.935 176.600 0.005 0.000 1.050 640 K CA 0.756 57.038 56.287 -0.008 0.000 0.942 640 K CB 0.089 32.574 32.500 -0.025 0.000 0.724 640 K HN 0.116 nan 8.250 nan 0.000 0.446 641 M N 0.000 119.609 119.600 0.015 0.000 2.572 641 M HA 0.000 4.481 4.480 0.002 0.000 0.227 641 M CA 0.000 55.319 55.300 0.032 0.000 0.988 641 M CB 0.000 32.625 32.600 0.042 0.000 1.302 641 M HN 0.000 nan 8.290 nan 0.000 0.411