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 1t70_1_H DATA FIRST_RESID 2101 DATA SEQUENCE MRVLFIGDVF GQPGRRVLQN HLPTIRPQFD FVIVNMENSA GGFGMHRDAA DATA SEQUENCE RGALEAGAGC LTLGNHAWHH KDIYPMLSED TYPIVRPLNY ADPGTPGVGW DATA SEQUENCE RTFDVNGEKL TVVNLLGRVF MEAVDNPFRT MDALLERDDL GTVFVDFHAE DATA SEQUENCE ATSEKEAMGW HLAGRVAAVI GTHTHVPTAD TRILKGGTAY QTDAGFTGPH DATA SEQUENCE DSIIGSAIEG PLQRFLTERP HRYGVAEGRA ELNGVALHFE GGKATAAERY DATA SEQUENCE RFIED 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 2101 M HA 0.000 nan 4.480 nan 0.000 0.227 2101 M C 0.000 176.363 176.300 0.106 0.000 1.140 2101 M CA 0.000 55.373 55.300 0.121 0.000 0.988 2101 M CB 0.000 32.618 32.600 0.029 0.000 1.302 2102 R N 1.948 122.516 120.500 0.113 0.000 2.202 2102 R HA 0.527 4.869 4.340 0.003 0.000 0.334 2102 R C -0.649 175.823 176.300 0.286 0.000 1.036 2102 R CA -0.216 56.020 56.100 0.228 0.000 0.878 2102 R CB 1.722 32.138 30.300 0.194 0.000 1.067 2102 R HN 0.165 nan 8.270 nan 0.000 0.457 2103 V N 2.921 122.943 119.914 0.180 0.000 2.876 2103 V HA 0.644 4.766 4.120 0.003 0.000 0.312 2103 V C -1.564 174.426 176.094 -0.174 0.000 1.085 2103 V CA -1.124 61.229 62.300 0.088 0.000 0.945 2103 V CB 2.051 33.973 31.823 0.164 0.000 1.017 2103 V HN 0.606 nan 8.190 nan 0.000 0.428 2104 L N 5.516 126.437 121.223 -0.504 0.000 2.333 2104 L HA 0.716 5.058 4.340 0.003 0.000 0.280 2104 L C -1.222 175.427 176.870 -0.368 0.000 1.004 2104 L CA -0.401 53.994 54.840 -0.742 0.000 0.820 2104 L CB 1.545 42.639 42.059 -1.609 0.000 1.247 2104 L HN 0.811 nan 8.230 nan 0.000 0.416 2105 F N 6.099 125.865 119.950 -0.308 0.000 2.426 2105 F HA 0.659 5.189 4.527 0.005 0.000 0.348 2105 F C -0.694 175.034 175.800 -0.120 0.000 1.124 2105 F CA -0.603 57.279 58.000 -0.198 0.000 1.008 2105 F CB 0.877 39.879 39.000 0.004 0.000 1.139 2105 F HN 0.344 nan 8.300 nan 0.000 0.452 2106 I N 5.427 125.475 120.570 -0.871 0.000 2.437 2106 I HA 0.430 4.602 4.170 0.003 0.000 0.298 2106 I C 0.783 176.411 176.117 -0.815 0.000 0.984 2106 I CA -0.810 60.119 61.300 -0.618 0.000 1.214 2106 I CB 1.516 39.263 38.000 -0.422 0.000 1.365 2106 I HN 0.726 nan 8.210 nan 0.000 0.469 2107 G N 2.743 111.337 108.800 -0.342 0.000 2.580 2107 G HA2 0.188 4.150 3.960 0.003 0.000 0.278 2107 G HA3 0.188 4.150 3.960 0.003 0.000 0.278 2107 G C -0.738 174.128 174.900 -0.057 0.000 1.212 2107 G CA -0.544 44.491 45.100 -0.109 0.000 0.939 2107 G HN 0.663 nan 8.290 nan 0.000 0.513 2108 D N -0.573 119.894 120.400 0.112 0.000 3.434 2108 D HA 0.030 4.672 4.640 0.003 0.000 0.215 2108 D C 0.353 176.653 176.300 -0.000 0.000 1.157 2108 D CA 0.476 54.551 54.000 0.125 0.000 0.785 2108 D CB 0.301 41.275 40.800 0.289 0.000 1.164 2108 D HN 0.078 nan 8.370 nan 0.000 0.580 2109 V N 3.829 123.696 119.914 -0.079 0.000 2.432 2109 V HA 0.138 4.260 4.120 0.003 0.000 0.271 2109 V C 0.003 176.032 176.094 -0.108 0.000 1.046 2109 V CA -0.398 61.814 62.300 -0.146 0.000 0.945 2109 V CB 0.284 32.007 31.823 -0.166 0.000 0.992 2109 V HN 0.393 nan 8.190 nan 0.000 0.471 2110 F N 5.331 125.113 119.950 -0.280 0.000 2.332 2110 F HA 0.646 5.176 4.527 0.004 0.000 0.368 2110 F C 1.013 176.706 175.800 -0.178 0.000 1.110 2110 F CA 0.711 58.590 58.000 -0.203 0.000 1.087 2110 F CB 0.725 39.662 39.000 -0.105 0.000 1.235 2110 F HN 0.808 nan 8.300 nan 0.000 0.470 2111 G N 4.623 113.253 108.800 -0.284 0.000 2.581 2111 G HA2 -0.359 3.603 3.960 0.003 0.000 0.289 2111 G HA3 -0.359 3.603 3.960 0.003 0.000 0.289 2111 G C 0.753 175.626 174.900 -0.046 0.000 1.303 2111 G CA 0.574 45.590 45.100 -0.141 0.000 0.931 2111 G HN 0.664 nan 8.290 nan 0.000 0.555 2112 Q N 0.725 120.526 119.800 0.002 0.000 2.002 2112 Q HA -0.111 4.231 4.340 0.003 0.000 0.204 2112 Q C 0.249 176.246 176.000 -0.006 0.000 0.988 2112 Q CA 2.401 58.208 55.803 0.007 0.000 0.843 2112 Q CB -0.755 27.999 28.738 0.027 0.000 0.908 2112 Q HN 0.507 nan 8.270 nan 0.000 0.420 2113 P HA -0.195 nan 4.420 nan 0.000 0.217 2113 P C 1.111 178.371 177.300 -0.066 0.000 1.151 2113 P CA 2.010 65.099 63.100 -0.018 0.000 0.849 2113 P CB -0.328 31.368 31.700 -0.007 0.000 0.787 2114 G N -0.896 107.849 108.800 -0.092 0.000 2.408 2114 G HA2 -0.182 3.780 3.960 0.003 0.000 0.215 2114 G HA3 -0.182 3.780 3.960 0.003 0.000 0.215 2114 G C 1.661 176.491 174.900 -0.117 0.000 1.156 2114 G CA 0.254 45.258 45.100 -0.160 0.000 0.793 2114 G HN 0.202 nan 8.290 nan 0.000 0.535 2115 R N -0.172 120.275 120.500 -0.088 0.000 2.075 2115 R HA 0.042 4.384 4.340 0.003 0.000 0.232 2115 R C 2.635 178.906 176.300 -0.048 0.000 1.126 2115 R CA 0.957 57.011 56.100 -0.075 0.000 0.963 2115 R CB -0.260 30.004 30.300 -0.059 0.000 0.858 2115 R HN 0.243 nan 8.270 nan 0.000 0.435 2116 R N 1.168 121.650 120.500 -0.031 0.000 2.080 2116 R HA -0.136 4.206 4.340 0.003 0.000 0.236 2116 R C 2.133 178.434 176.300 0.001 0.000 1.137 2116 R CA 2.225 58.319 56.100 -0.010 0.000 0.943 2116 R CB -0.350 29.950 30.300 0.000 0.000 0.846 2116 R HN 0.231 nan 8.270 nan 0.000 0.431 2117 V N -0.221 119.692 119.914 -0.000 0.000 2.427 2117 V HA -0.162 3.960 4.120 0.003 0.000 0.248 2117 V C 2.546 178.648 176.094 0.013 0.000 1.051 2117 V CA 1.280 63.604 62.300 0.040 0.000 1.048 2117 V CB -1.001 30.850 31.823 0.046 0.000 0.666 2117 V HN 0.273 nan 8.190 nan 0.000 0.456 2118 L N 0.789 121.987 121.223 -0.041 0.000 1.994 2118 L HA -0.180 4.161 4.340 0.003 0.000 0.208 2118 L C 2.655 179.493 176.870 -0.053 0.000 1.071 2118 L CA 2.449 57.250 54.840 -0.064 0.000 0.745 2118 L CB -1.058 40.937 42.059 -0.106 0.000 0.892 2118 L HN 0.468 nan 8.230 nan 0.000 0.431 2119 Q N -0.758 119.013 119.800 -0.049 0.000 2.167 2119 Q HA -0.142 4.200 4.340 0.003 0.000 0.202 2119 Q C 1.762 177.737 176.000 -0.042 0.000 0.970 2119 Q CA 1.317 57.091 55.803 -0.049 0.000 0.855 2119 Q CB 0.037 28.751 28.738 -0.040 0.000 0.911 2119 Q HN 0.581 nan 8.270 nan 0.000 0.438 2120 N N -0.646 118.041 118.700 -0.020 0.000 2.368 2120 N HA -0.089 4.653 4.740 0.003 0.000 0.176 2120 N C 1.471 176.948 175.510 -0.056 0.000 1.021 2120 N CA 0.803 53.839 53.050 -0.025 0.000 0.888 2120 N CB 0.100 38.593 38.487 0.009 0.000 0.995 2120 N HN 0.319 nan 8.380 nan 0.000 0.437 2121 H N 1.016 119.995 119.070 -0.151 0.000 2.388 2121 H HA 0.135 4.692 4.556 0.002 0.000 0.304 2121 H C 2.063 177.269 175.328 -0.203 0.000 1.049 2121 H CA 0.145 56.047 56.048 -0.243 0.000 1.371 2121 H CB 0.148 29.686 29.762 -0.373 0.000 1.436 2121 H HN 0.013 nan 8.280 nan 0.000 0.544 2122 L N 2.253 123.436 121.223 -0.067 0.000 2.051 2122 L HA -0.111 4.231 4.340 0.003 0.000 0.214 2122 L C -0.722 176.055 176.870 -0.155 0.000 1.076 2122 L CA 1.807 56.578 54.840 -0.116 0.000 0.758 2122 L CB -1.554 40.433 42.059 -0.121 0.000 0.890 2122 L HN 0.270 nan 8.230 nan 0.000 0.433 2123 P HA -0.136 nan 4.420 nan 0.000 0.221 2123 P C 1.382 178.589 177.300 -0.155 0.000 1.145 2123 P CA 1.884 64.905 63.100 -0.132 0.000 0.795 2123 P CB -0.305 31.328 31.700 -0.110 0.000 0.775 2124 T N -2.501 111.912 114.554 -0.236 0.000 3.014 2124 T HA 0.011 4.363 4.350 0.003 0.000 0.263 2124 T C 1.905 176.478 174.700 -0.211 0.000 1.078 2124 T CA 0.561 62.512 62.100 -0.248 0.000 1.135 2124 T CB -0.973 67.678 68.868 -0.361 0.000 0.895 2124 T HN 0.229 nan 8.240 nan 0.000 0.480 2125 I N -2.269 118.183 120.570 -0.197 0.000 3.708 2125 I HA 0.393 4.565 4.170 0.003 0.000 0.302 2125 I C 2.665 178.795 176.117 0.021 0.000 1.255 2125 I CA -0.439 60.810 61.300 -0.086 0.000 1.362 2125 I CB -0.384 37.588 38.000 -0.046 0.000 1.100 2125 I HN -0.082 nan 8.210 nan 0.000 0.434 2126 R N 2.397 122.907 120.500 0.017 0.000 2.140 2126 R HA -0.157 4.185 4.340 0.003 0.000 0.250 2126 R C -0.524 175.796 176.300 0.034 0.000 1.150 2126 R CA 2.234 58.376 56.100 0.070 0.000 0.966 2126 R CB -1.995 28.283 30.300 -0.036 0.000 0.869 2126 R HN 0.291 nan 8.270 nan 0.000 0.445 2127 P HA -0.083 nan 4.420 nan 0.000 0.223 2127 P C 0.509 177.706 177.300 -0.171 0.000 1.144 2127 P CA 1.176 64.221 63.100 -0.091 0.000 0.783 2127 P CB -0.116 31.527 31.700 -0.094 0.000 0.771 2128 Q N -1.968 117.633 119.800 -0.331 0.000 2.403 2128 Q HA 0.134 4.476 4.340 0.003 0.000 0.203 2128 Q C -0.204 175.222 176.000 -0.956 0.000 0.932 2128 Q CA 0.318 55.721 55.803 -0.667 0.000 0.945 2128 Q CB 0.028 28.208 28.738 -0.930 0.000 1.045 2128 Q HN 0.292 nan 8.270 nan 0.000 0.511 2129 F N -1.067 118.856 119.950 -0.045 0.000 2.613 2129 F HA 0.282 4.810 4.527 0.003 0.000 0.314 2129 F C 0.639 176.435 175.800 -0.006 0.000 1.075 2129 F CA -1.179 56.806 58.000 -0.025 0.000 0.945 2129 F CB 1.349 40.313 39.000 -0.060 0.000 1.310 2129 F HN -0.229 nan 8.300 nan 0.000 0.467 2130 D N 0.261 120.801 120.400 0.233 0.000 2.355 2130 D HA 0.079 4.721 4.640 0.003 0.000 0.206 2130 D C -0.559 175.900 176.300 0.264 0.000 1.010 2130 D CA 1.173 55.282 54.000 0.181 0.000 0.875 2130 D CB 0.887 41.778 40.800 0.152 0.000 0.966 2130 D HN 0.245 nan 8.370 nan 0.000 0.512 2131 F N 0.514 120.488 119.950 0.040 0.000 2.628 2131 F HA 0.295 4.825 4.527 0.004 0.000 0.309 2131 F C -1.700 174.020 175.800 -0.134 0.000 1.108 2131 F CA -0.844 57.118 58.000 -0.064 0.000 0.971 2131 F CB 1.889 40.837 39.000 -0.085 0.000 1.279 2131 F HN -0.432 nan 8.300 nan 0.000 0.441 2132 V N 6.316 125.800 119.914 -0.717 0.000 2.525 2132 V HA 0.449 4.570 4.120 0.003 0.000 0.299 2132 V C -0.305 175.387 176.094 -0.669 0.000 1.034 2132 V CA -0.663 61.290 62.300 -0.579 0.000 0.863 2132 V CB 1.679 33.220 31.823 -0.470 0.000 0.999 2132 V HN 0.537 nan 8.190 nan 0.000 0.423 2133 I N 4.945 125.260 120.570 -0.424 0.000 2.331 2133 I HA 0.537 4.709 4.170 0.003 0.000 0.292 2133 I C -0.525 175.381 176.117 -0.353 0.000 0.998 2133 I CA -0.664 60.468 61.300 -0.280 0.000 1.267 2133 I CB 1.698 39.653 38.000 -0.075 0.000 1.386 2133 I HN 0.274 nan 8.210 nan 0.000 0.476 2134 V N 5.801 125.533 119.914 -0.303 0.000 2.588 2134 V HA 0.297 4.419 4.120 0.003 0.000 0.304 2134 V C -0.064 175.891 176.094 -0.232 0.000 1.042 2134 V CA -0.827 61.255 62.300 -0.364 0.000 0.877 2134 V CB 1.924 33.574 31.823 -0.288 0.000 0.996 2134 V HN 0.707 nan 8.190 nan 0.000 0.425 2135 N N 5.425 123.957 118.700 -0.281 0.000 2.422 2135 N HA 0.324 5.066 4.740 0.003 0.000 0.264 2135 N C -0.211 175.250 175.510 -0.082 0.000 1.063 2135 N CA -0.240 52.773 53.050 -0.061 0.000 0.959 2135 N CB 1.292 39.826 38.487 0.079 0.000 1.087 2135 N HN 0.604 nan 8.380 nan 0.000 0.483 2136 M N 3.064 122.620 119.600 -0.074 0.000 2.809 2136 M HA 0.046 4.528 4.480 0.003 0.000 0.388 2136 M C 1.102 177.331 176.300 -0.118 0.000 1.248 2136 M CA -0.068 55.162 55.300 -0.117 0.000 0.885 2136 M CB 0.017 32.528 32.600 -0.148 0.000 1.386 2136 M HN 0.640 nan 8.290 nan 0.000 0.509 2137 E N 0.901 121.064 120.200 -0.061 0.000 2.265 2137 E HA -0.128 4.224 4.350 0.003 0.000 0.196 2137 E C 0.794 177.330 176.600 -0.106 0.000 0.996 2137 E CA 1.396 57.759 56.400 -0.061 0.000 0.832 2137 E CB 0.110 29.802 29.700 -0.013 0.000 0.756 2137 E HN 0.375 nan 8.360 nan 0.000 0.491 2138 N N 0.077 118.672 118.700 -0.175 0.000 2.200 2138 N HA 0.088 4.830 4.740 0.003 0.000 0.224 2138 N C 0.571 175.787 175.510 -0.490 0.000 1.179 2138 N CA 0.534 53.327 53.050 -0.428 0.000 0.877 2138 N CB 0.975 39.159 38.487 -0.505 0.000 1.072 2138 N HN 0.133 nan 8.380 nan 0.000 0.519 2139 S N 1.040 116.542 115.700 -0.330 0.000 2.374 2139 S HA -0.123 4.349 4.470 0.003 0.000 0.227 2139 S C 1.298 175.687 174.600 -0.353 0.000 1.037 2139 S CA 0.754 58.753 58.200 -0.336 0.000 1.024 2139 S CB -0.106 62.881 63.200 -0.356 0.000 0.861 2139 S HN 0.410 nan 8.310 nan 0.000 0.456 2140 A N 1.138 123.769 122.820 -0.315 0.000 2.506 2140 A HA 0.587 4.908 4.320 0.003 0.000 0.320 2140 A C 1.321 178.893 177.584 -0.021 0.000 1.424 2140 A CA -0.051 51.938 52.037 -0.081 0.000 1.044 2140 A CB -1.005 18.032 19.000 0.061 0.000 1.140 2140 A HN 1.018 nan 8.150 nan 0.000 0.538 2141 G N 1.307 110.087 108.800 -0.034 0.000 2.244 2141 G HA2 0.060 4.022 3.960 0.003 0.000 0.274 2141 G HA3 0.060 4.022 3.960 0.003 0.000 0.274 2141 G C 1.542 176.204 174.900 -0.396 0.000 1.002 2141 G CA 1.260 46.324 45.100 -0.060 0.000 0.740 2141 G HN 2.633 nan 8.290 nan 0.000 0.516 2142 G N -2.568 105.753 108.800 -0.799 0.000 2.175 2142 G HA2 -0.087 3.875 3.960 0.003 0.000 0.244 2142 G HA3 -0.087 3.875 3.960 0.003 0.000 0.244 2142 G C 0.112 174.105 174.900 -1.511 0.000 0.982 2142 G CA 0.366 44.448 45.100 -1.697 0.000 0.641 2142 G HN 1.305 nan 8.290 nan 0.000 0.527 2143 F N 0.896 120.643 119.950 -0.338 0.000 2.716 2143 F HA 0.600 5.128 4.527 0.001 0.000 0.354 2143 F C 0.898 176.677 175.800 -0.035 0.000 1.168 2143 F CA -0.005 57.864 58.000 -0.219 0.000 1.045 2143 F CB 1.407 40.365 39.000 -0.068 0.000 1.311 2143 F HN 1.058 nan 8.300 nan 0.000 0.477 2144 G N 2.379 111.224 108.800 0.074 0.000 2.632 2144 G HA2 -0.124 3.838 3.960 0.003 0.000 0.224 2144 G HA3 -0.124 3.838 3.960 0.003 0.000 0.224 2144 G C -1.134 173.710 174.900 -0.092 0.000 1.341 2144 G CA -0.325 44.816 45.100 0.067 0.000 0.880 2144 G HN 0.738 nan 8.290 nan 0.000 0.566 2145 M N 1.540 121.063 119.600 -0.128 0.000 2.271 2145 M HA 0.509 4.991 4.480 0.003 0.000 0.285 2145 M C 0.176 176.254 176.300 -0.371 0.000 1.059 2145 M CA -0.919 54.195 55.300 -0.311 0.000 0.940 2145 M CB 1.419 33.861 32.600 -0.264 0.000 1.636 2145 M HN 1.084 nan 8.290 nan 0.000 0.460 2146 H N 2.123 120.930 119.070 -0.438 0.000 2.580 2146 H HA 0.439 5.001 4.556 0.010 0.000 0.324 2146 H C 0.095 175.246 175.328 -0.295 0.000 1.436 2146 H CA -0.830 54.873 56.048 -0.576 0.000 1.464 2146 H CB 0.809 30.069 29.762 -0.836 0.000 1.752 2146 H HN 0.818 nan 8.280 nan 0.000 0.726 2147 R N -0.391 120.110 120.500 0.002 0.000 2.073 2147 R HA -0.138 4.204 4.340 0.003 0.000 0.234 2147 R C 1.132 177.463 176.300 0.051 0.000 1.134 2147 R CA 1.879 57.952 56.100 -0.044 0.000 0.952 2147 R CB -0.165 30.125 30.300 -0.016 0.000 0.850 2147 R HN 0.601 nan 8.270 nan 0.000 0.433 2148 D N 0.162 120.678 120.400 0.194 0.000 2.117 2148 D HA -0.132 4.510 4.640 0.003 0.000 0.197 2148 D C 1.700 178.062 176.300 0.103 0.000 0.987 2148 D CA 1.528 55.628 54.000 0.167 0.000 0.829 2148 D CB -0.274 40.617 40.800 0.151 0.000 0.961 2148 D HN 0.364 nan 8.370 nan 0.000 0.460 2149 A N 0.849 123.673 122.820 0.007 0.000 1.908 2149 A HA -0.086 4.236 4.320 0.003 0.000 0.218 2149 A C 2.290 179.791 177.584 -0.138 0.000 1.181 2149 A CA 2.379 54.281 52.037 -0.224 0.000 0.627 2149 A CB -0.745 17.858 19.000 -0.661 0.000 0.818 2149 A HN 0.247 nan 8.150 nan 0.000 0.445 2150 A N -0.719 122.030 122.820 -0.118 0.000 1.898 2150 A HA -0.105 4.217 4.320 0.003 0.000 0.216 2150 A C 2.254 179.914 177.584 0.127 0.000 1.181 2150 A CA 1.535 53.559 52.037 -0.021 0.000 0.620 2150 A CB -0.457 18.482 19.000 -0.101 0.000 0.819 2150 A HN 0.520 nan 8.150 nan 0.000 0.442 2151 R N -0.587 120.013 120.500 0.167 0.000 2.115 2151 R HA -0.101 4.240 4.340 0.003 0.000 0.230 2151 R C 2.188 178.518 176.300 0.050 0.000 1.111 2151 R CA 1.330 57.531 56.100 0.168 0.000 0.976 2151 R CB -0.497 29.896 30.300 0.156 0.000 0.870 2151 R HN 0.490 nan 8.270 nan 0.000 0.445 2152 G N -0.172 108.640 108.800 0.020 0.000 2.394 2152 G HA2 -0.219 3.743 3.960 0.003 0.000 0.215 2152 G HA3 -0.219 3.743 3.960 0.003 0.000 0.215 2152 G C 1.484 176.358 174.900 -0.042 0.000 1.165 2152 G CA 0.619 45.710 45.100 -0.014 0.000 0.784 2152 G HN 0.436 nan 8.290 nan 0.000 0.535 2153 A N 0.787 123.575 122.820 -0.053 0.000 1.883 2153 A HA 0.013 4.335 4.320 0.003 0.000 0.217 2153 A C 2.446 179.974 177.584 -0.093 0.000 1.186 2153 A CA 1.517 53.502 52.037 -0.086 0.000 0.624 2153 A CB -0.462 18.481 19.000 -0.096 0.000 0.822 2153 A HN 0.359 nan 8.150 nan 0.000 0.444 2154 L N -1.053 120.132 121.223 -0.064 0.000 2.005 2154 L HA -0.172 4.170 4.340 0.003 0.000 0.207 2154 L C 2.620 179.438 176.870 -0.087 0.000 1.072 2154 L CA 1.705 56.493 54.840 -0.086 0.000 0.744 2154 L CB -0.682 41.331 42.059 -0.078 0.000 0.895 2154 L HN 0.468 nan 8.230 nan 0.000 0.433 2155 E N 1.006 121.167 120.200 -0.064 0.000 2.171 2155 E HA -0.246 4.106 4.350 0.003 0.000 0.197 2155 E C 1.991 178.549 176.600 -0.069 0.000 0.997 2155 E CA 1.620 57.984 56.400 -0.059 0.000 0.810 2155 E CB -0.124 29.552 29.700 -0.040 0.000 0.738 2155 E HN 0.403 nan 8.360 nan 0.000 0.467 2156 A N -1.128 121.644 122.820 -0.079 0.000 2.119 2156 A HA 0.319 4.641 4.320 0.003 0.000 0.216 2156 A C 1.864 179.381 177.584 -0.111 0.000 1.152 2156 A CA 1.187 53.170 52.037 -0.091 0.000 0.708 2156 A CB -0.293 18.651 19.000 -0.093 0.000 0.805 2156 A HN 0.577 nan 8.150 nan 0.000 0.460 2157 G N -2.727 105.997 108.800 -0.126 0.000 2.273 2157 G HA2 0.238 4.200 3.960 0.003 0.000 0.162 2157 G HA3 0.238 4.200 3.960 0.003 0.000 0.162 2157 G C 0.349 175.117 174.900 -0.221 0.000 1.006 2157 G CA -0.019 44.992 45.100 -0.149 0.000 0.704 2157 G HN 1.358 nan 8.290 nan 0.000 0.487 2158 A N 0.579 123.261 122.820 -0.229 0.000 2.477 2158 A HA 0.624 4.946 4.320 0.003 0.000 0.246 2158 A C 1.511 178.872 177.584 -0.372 0.000 1.078 2158 A CA 1.391 53.241 52.037 -0.313 0.000 0.770 2158 A CB 0.735 19.591 19.000 -0.241 0.000 1.011 2158 A HN 1.445 nan 8.150 nan 0.000 0.494 2159 G N -0.104 108.301 108.800 -0.659 0.000 2.939 2159 G HA2 0.347 4.309 3.960 0.003 0.000 0.216 2159 G HA3 0.347 4.309 3.960 0.003 0.000 0.216 2159 G C 0.108 174.663 174.900 -0.575 0.000 1.125 2159 G CA 0.840 45.482 45.100 -0.764 0.000 0.766 2159 G HN 1.150 nan 8.290 nan 0.000 0.541 2160 C N 0.625 119.633 119.300 -0.487 0.000 2.931 2160 C HA 0.674 5.136 4.460 0.003 0.000 0.370 2160 C C -1.901 173.047 174.990 -0.070 0.000 1.071 2160 C CA -1.033 57.901 59.018 -0.141 0.000 1.266 2160 C CB 0.627 28.290 27.740 -0.128 0.000 1.691 2160 C HN 0.013 nan 8.230 nan 0.000 0.511 2161 L N 5.800 127.044 121.223 0.035 0.000 2.280 2161 L HA 0.592 4.934 4.340 0.003 0.000 0.287 2161 L C 0.927 177.829 176.870 0.054 0.000 1.023 2161 L CA 0.327 55.171 54.840 0.006 0.000 0.819 2161 L CB 1.468 43.526 42.059 -0.003 0.000 1.212 2161 L HN 0.888 nan 8.230 nan 0.000 0.420 2162 T N 1.617 116.212 114.554 0.068 0.000 2.902 2162 T HA 0.829 5.181 4.350 0.003 0.000 0.283 2162 T C 0.517 175.239 174.700 0.037 0.000 1.009 2162 T CA -0.667 61.504 62.100 0.118 0.000 1.051 2162 T CB 1.581 70.610 68.868 0.268 0.000 0.999 2162 T HN 0.305 nan 8.240 nan 0.000 0.474 2163 L N 1.230 122.445 121.223 -0.013 0.000 2.818 2163 L HA 0.922 5.264 4.340 0.003 0.000 0.230 2163 L C 1.195 177.941 176.870 -0.206 0.000 2.013 2163 L CA -0.783 53.988 54.840 -0.115 0.000 2.420 2163 L CB 0.419 42.358 42.059 -0.201 0.000 2.612 2163 L HN 1.028 nan 8.230 nan 0.000 0.595 2164 G N -1.277 107.347 108.800 -0.292 0.000 2.441 2164 G HA2 -0.081 3.880 3.960 0.003 0.000 0.222 2164 G HA3 -0.081 3.880 3.960 0.003 0.000 0.222 2164 G C -0.137 174.619 174.900 -0.240 0.000 1.254 2164 G CA 0.190 45.004 45.100 -0.478 0.000 0.959 2164 G HN 0.360 nan 8.290 nan 0.000 0.474 2165 N N 0.190 118.763 118.700 -0.212 0.000 2.139 2165 N HA -0.232 4.510 4.740 0.003 0.000 0.193 2165 N C 1.484 177.032 175.510 0.064 0.000 0.975 2165 N CA 2.508 55.590 53.050 0.054 0.000 0.893 2165 N CB -0.631 37.973 38.487 0.196 0.000 1.073 2165 N HN 0.586 nan 8.380 nan 0.000 0.661 2166 H N -0.031 119.100 119.070 0.102 0.000 2.669 2166 H HA 0.415 4.973 4.556 0.003 0.000 0.297 2166 H C 1.449 176.837 175.328 0.100 0.000 1.071 2166 H CA 0.393 56.542 56.048 0.169 0.000 1.182 2166 H CB -0.417 29.297 29.762 -0.079 0.000 1.343 2166 H HN 0.381 nan 8.280 nan 0.000 0.582 2167 A N 0.245 123.003 122.820 -0.104 0.000 1.986 2167 A HA -0.200 4.122 4.320 0.003 0.000 0.220 2167 A C 0.900 178.145 177.584 -0.566 0.000 1.171 2167 A CA 1.367 53.093 52.037 -0.518 0.000 0.640 2167 A CB -0.602 17.798 19.000 -1.000 0.000 0.811 2167 A HN 0.648 nan 8.150 nan 0.000 0.451 2168 W N -1.802 119.543 121.300 0.075 0.000 3.102 2168 W HA 0.331 4.992 4.660 0.002 0.000 0.401 2168 W C 1.395 177.938 176.519 0.039 0.000 1.070 2168 W CA -0.333 56.973 57.345 -0.065 0.000 1.921 2168 W CB -0.420 28.966 29.460 -0.124 0.000 1.118 2168 W HN 0.390 nan 8.180 nan 0.000 0.647 2169 H N -0.914 118.292 119.070 0.225 0.000 2.529 2169 H HA -0.002 4.556 4.556 0.002 0.000 0.277 2169 H C 0.200 175.654 175.328 0.210 0.000 0.999 2169 H CA 1.009 57.195 56.048 0.230 0.000 1.256 2169 H CB 0.381 30.316 29.762 0.287 0.000 1.402 2169 H HN 0.035 nan 8.280 nan 0.000 0.566 2170 H N 2.115 121.320 119.070 0.225 0.000 2.551 2170 H HA 0.033 4.589 4.556 0.000 0.000 0.321 2170 H C 1.021 176.440 175.328 0.153 0.000 1.028 2170 H CA -0.451 55.701 56.048 0.173 0.000 1.215 2170 H CB 1.189 31.041 29.762 0.149 0.000 1.414 2170 H HN 0.126 nan 8.280 nan 0.000 0.480 2171 K N 3.479 123.911 120.400 0.052 0.000 2.374 2171 K HA -0.198 4.124 4.320 0.003 0.000 0.202 2171 K C 0.178 176.952 176.600 0.291 0.000 1.044 2171 K CA 1.453 57.867 56.287 0.211 0.000 0.933 2171 K CB -0.004 32.539 32.500 0.072 0.000 0.745 2171 K HN 0.427 nan 8.250 nan 0.000 0.474 2172 D N 0.935 121.568 120.400 0.389 0.000 2.224 2172 D HA -0.005 4.637 4.640 0.003 0.000 0.205 2172 D C 1.912 178.274 176.300 0.103 0.000 0.965 2172 D CA 0.806 54.961 54.000 0.259 0.000 0.852 2172 D CB -0.206 40.754 40.800 0.265 0.000 0.947 2172 D HN 0.332 nan 8.370 nan 0.000 0.494 2173 I N -0.006 120.590 120.570 0.043 0.000 2.335 2173 I HA -0.283 3.889 4.170 0.003 0.000 0.251 2173 I C 1.764 177.833 176.117 -0.080 0.000 1.129 2173 I CA 0.947 62.180 61.300 -0.112 0.000 1.402 2173 I CB -0.352 37.499 38.000 -0.250 0.000 1.069 2173 I HN 0.004 nan 8.210 nan 0.000 0.424 2174 Y N 0.967 121.343 120.300 0.127 0.000 2.133 2174 Y HA -0.113 4.438 4.550 0.002 0.000 0.287 2174 Y C -0.002 175.939 175.900 0.068 0.000 1.134 2174 Y CA 1.195 59.367 58.100 0.120 0.000 1.133 2174 Y CB -2.305 36.215 38.460 0.100 0.000 0.987 2174 Y HN 0.191 nan 8.280 nan 0.000 0.502 2175 P HA -0.151 nan 4.420 nan 0.000 0.219 2175 P C 1.449 178.786 177.300 0.062 0.000 1.150 2175 P CA 1.718 64.888 63.100 0.116 0.000 0.814 2175 P CB -0.085 31.671 31.700 0.093 0.000 0.787 2176 M N -0.667 118.936 119.600 0.006 0.000 2.067 2176 M HA -0.096 4.386 4.480 0.003 0.000 0.260 2176 M C 2.429 178.725 176.300 -0.006 0.000 1.069 2176 M CA 1.759 57.013 55.300 -0.078 0.000 1.117 2176 M CB -0.886 31.571 32.600 -0.238 0.000 1.334 2176 M HN -0.136 nan 8.290 nan 0.000 0.407 2177 L N -0.927 120.302 121.223 0.010 0.000 2.131 2177 L HA -0.201 4.141 4.340 0.003 0.000 0.210 2177 L C 2.720 179.632 176.870 0.069 0.000 1.092 2177 L CA 0.958 55.823 54.840 0.042 0.000 0.759 2177 L CB -0.679 41.418 42.059 0.064 0.000 0.903 2177 L HN 0.357 nan 8.230 nan 0.000 0.435 2178 S N 0.388 116.141 115.700 0.088 0.000 2.345 2178 S HA -0.209 4.263 4.470 0.003 0.000 0.220 2178 S C 1.796 176.435 174.600 0.065 0.000 1.031 2178 S CA 1.582 59.832 58.200 0.083 0.000 0.996 2178 S CB -0.139 63.117 63.200 0.094 0.000 0.882 2178 S HN 0.645 nan 8.310 nan 0.000 0.445 2179 E N 0.569 120.811 120.200 0.070 0.000 2.472 2179 E HA -0.079 4.272 4.350 0.003 0.000 0.200 2179 E C 0.118 176.768 176.600 0.083 0.000 1.046 2179 E CA 0.745 57.191 56.400 0.077 0.000 0.871 2179 E CB -0.663 29.094 29.700 0.095 0.000 0.806 2179 E HN 0.466 nan 8.360 nan 0.000 0.533 2180 D N 1.092 121.540 120.400 0.080 0.000 2.810 2180 D HA -0.197 4.445 4.640 0.003 0.000 0.224 2180 D C 0.405 176.757 176.300 0.087 0.000 1.222 2180 D CA 1.411 55.453 54.000 0.070 0.000 0.698 2180 D CB -0.671 40.147 40.800 0.030 0.000 0.961 2180 D HN 0.508 nan 8.370 nan 0.000 0.403 2181 T N -2.498 112.154 114.554 0.164 0.000 3.174 2181 T HA 0.098 4.450 4.350 0.003 0.000 0.252 2181 T C 0.834 175.599 174.700 0.108 0.000 0.984 2181 T CA -0.280 61.892 62.100 0.120 0.000 1.113 2181 T CB -0.259 68.677 68.868 0.114 0.000 1.088 2181 T HN 0.121 nan 8.240 nan 0.000 0.442 2182 Y N 4.285 124.597 120.300 0.020 0.000 2.511 2182 Y HA 0.344 4.894 4.550 -0.000 0.000 0.332 2182 Y C -2.026 173.903 175.900 0.049 0.000 1.177 2182 Y CA -2.641 55.475 58.100 0.026 0.000 1.422 2182 Y CB 0.018 38.480 38.460 0.005 0.000 1.271 2182 Y HN 0.168 nan 8.280 nan 0.000 0.550 2183 P HA 0.117 nan 4.420 nan 0.000 0.235 2183 P C -0.567 176.878 177.300 0.241 0.000 1.765 2183 P CA 0.466 63.727 63.100 0.269 0.000 1.034 2183 P CB -0.516 31.448 31.700 0.440 0.000 1.984 2184 I N 0.944 121.609 120.570 0.159 0.000 2.396 2184 I HA 0.301 4.473 4.170 0.003 0.000 0.292 2184 I C 0.308 176.474 176.117 0.081 0.000 0.999 2184 I CA -0.970 60.387 61.300 0.096 0.000 1.310 2184 I CB 1.897 39.912 38.000 0.025 0.000 1.404 2184 I HN -0.112 nan 8.210 nan 0.000 0.496 2185 V N 5.869 125.836 119.914 0.088 0.000 2.447 2185 V HA 0.366 4.488 4.120 0.003 0.000 0.292 2185 V C -0.162 175.967 176.094 0.060 0.000 1.021 2185 V CA -0.778 61.580 62.300 0.098 0.000 0.850 2185 V CB 1.516 33.454 31.823 0.191 0.000 1.005 2185 V HN 0.814 nan 8.190 nan 0.000 0.426 2186 R N 5.126 125.646 120.500 0.033 0.000 2.549 2186 R HA 0.720 5.062 4.340 0.003 0.000 0.259 2186 R C -2.946 173.434 176.300 0.134 0.000 1.095 2186 R CA -2.489 53.611 56.100 0.000 0.000 1.148 2186 R CB -0.750 29.478 30.300 -0.120 0.000 1.181 2186 R HN 0.292 nan 8.270 nan 0.000 0.571 2187 P HA -0.073 nan 4.420 nan 0.000 0.261 2187 P C 0.128 177.559 177.300 0.218 0.000 1.183 2187 P CA 0.072 63.265 63.100 0.155 0.000 0.761 2187 P CB 0.359 32.069 31.700 0.017 0.000 0.785 2188 L N 4.964 126.291 121.223 0.173 0.000 2.093 2188 L HA -0.110 4.232 4.340 0.003 0.000 0.208 2188 L C 1.291 178.256 176.870 0.158 0.000 1.085 2188 L CA 1.681 56.643 54.840 0.203 0.000 0.755 2188 L CB -0.847 41.333 42.059 0.200 0.000 0.904 2188 L HN 0.307 nan 8.230 nan 0.000 0.435 2189 N N -1.190 117.546 118.700 0.059 0.000 2.542 2189 N HA -0.131 4.610 4.740 0.003 0.000 0.234 2189 N C -0.860 174.654 175.510 0.006 0.000 1.257 2189 N CA -0.003 53.065 53.050 0.030 0.000 0.883 2189 N CB -0.900 37.589 38.487 0.004 0.000 1.197 2189 N HN 0.285 nan 8.380 nan 0.000 0.488 2190 Y N 0.856 121.251 120.300 0.157 0.000 2.751 2190 Y HA 0.450 5.002 4.550 0.003 0.000 0.333 2190 Y C 1.530 177.498 175.900 0.113 0.000 1.122 2190 Y CA -1.210 56.981 58.100 0.152 0.000 1.367 2190 Y CB 0.480 39.072 38.460 0.220 0.000 1.242 2190 Y HN 0.233 nan 8.280 nan 0.000 0.505 2191 A N 1.800 124.754 122.820 0.223 0.000 1.881 2191 A HA -0.297 4.025 4.320 0.003 0.000 0.219 2191 A C 1.044 178.705 177.584 0.129 0.000 1.215 2191 A CA 1.691 53.818 52.037 0.150 0.000 0.648 2191 A CB -0.891 18.175 19.000 0.110 0.000 0.832 2191 A HN 0.720 nan 8.150 nan 0.000 0.455 2192 D N -0.185 120.284 120.400 0.114 0.000 2.982 2192 D HA 0.007 4.649 4.640 0.003 0.000 0.222 2192 D C -1.683 174.654 176.300 0.061 0.000 1.124 2192 D CA -0.162 53.874 54.000 0.059 0.000 0.810 2192 D CB 0.569 41.374 40.800 0.009 0.000 1.152 2192 D HN 0.129 nan 8.370 nan 0.000 0.538 2193 P HA 0.018 nan 4.420 nan 0.000 0.226 2193 P C 1.103 178.424 177.300 0.036 0.000 1.153 2193 P CA 0.767 63.897 63.100 0.051 0.000 0.777 2193 P CB 0.341 32.066 31.700 0.041 0.000 0.794 2194 G N -0.735 108.072 108.800 0.011 0.000 2.683 2194 G HA2 -0.067 3.895 3.960 0.003 0.000 0.213 2194 G HA3 -0.067 3.895 3.960 0.003 0.000 0.213 2194 G C 0.313 175.205 174.900 -0.013 0.000 1.142 2194 G CA 0.187 45.282 45.100 -0.007 0.000 0.793 2194 G HN 0.300 nan 8.290 nan 0.000 0.534 2195 T N 1.655 116.196 114.554 -0.022 0.000 2.819 2195 T HA 0.229 4.581 4.350 0.003 0.000 0.282 2195 T C -2.249 172.500 174.700 0.081 0.000 1.013 2195 T CA -1.054 61.018 62.100 -0.047 0.000 1.159 2195 T CB 0.735 69.612 68.868 0.016 0.000 1.007 2195 T HN -0.043 nan 8.240 nan 0.000 0.514 2196 P HA 0.387 nan 4.420 nan 0.000 0.269 2196 P C 1.179 178.626 177.300 0.244 0.000 1.217 2196 P CA 1.091 64.326 63.100 0.226 0.000 0.783 2196 P CB -0.125 31.791 31.700 0.361 0.000 0.898 2197 G N 0.024 108.909 108.800 0.143 0.000 2.641 2197 G HA2 -0.043 3.919 3.960 0.003 0.000 0.254 2197 G HA3 -0.043 3.919 3.960 0.003 0.000 0.254 2197 G C -0.433 174.496 174.900 0.049 0.000 1.315 2197 G CA -0.114 45.034 45.100 0.079 0.000 0.907 2197 G HN 0.787 nan 8.290 nan 0.000 0.572 2198 V N -3.309 116.597 119.914 -0.013 0.000 3.001 2198 V HA 0.918 5.039 4.120 0.003 0.000 0.314 2198 V C 1.000 177.090 176.094 -0.006 0.000 1.099 2198 V CA 0.330 62.577 62.300 -0.089 0.000 0.989 2198 V CB 1.676 33.292 31.823 -0.344 0.000 1.040 2198 V HN 2.219 nan 8.190 nan 0.000 0.434 2199 G N 1.913 110.752 108.800 0.065 0.000 3.523 2199 G HA2 0.489 4.451 3.960 0.003 0.000 0.270 2199 G HA3 0.489 4.451 3.960 0.003 0.000 0.270 2199 G C -0.099 175.014 174.900 0.355 0.000 1.134 2199 G CA 0.110 45.344 45.100 0.224 0.000 0.825 2199 G HN 1.177 nan 8.290 nan 0.000 0.534 2200 W N -1.251 120.100 121.300 0.086 0.000 3.338 2200 W HA 0.625 5.288 4.660 0.004 0.000 0.299 2200 W C -1.824 174.714 176.519 0.033 0.000 1.226 2200 W CA -1.423 55.969 57.345 0.079 0.000 1.183 2200 W CB 0.427 29.920 29.460 0.054 0.000 1.360 2200 W HN -0.102 nan 8.180 nan 0.000 0.569 2201 R N 1.754 122.379 120.500 0.209 0.000 2.566 2201 R HA 0.478 4.820 4.340 0.003 0.000 0.271 2201 R C -0.498 175.761 176.300 -0.069 0.000 1.071 2201 R CA -0.499 55.509 56.100 -0.153 0.000 0.915 2201 R CB 2.639 32.706 30.300 -0.389 0.000 1.228 2201 R HN 0.539 nan 8.270 nan 0.000 0.449 2202 T N -0.282 114.187 114.554 -0.142 0.000 2.824 2202 T HA 0.678 5.030 4.350 0.003 0.000 0.280 2202 T C -0.385 174.106 174.700 -0.350 0.000 0.995 2202 T CA -0.477 61.595 62.100 -0.047 0.000 1.009 2202 T CB 0.681 69.608 68.868 0.099 0.000 0.955 2202 T HN 0.258 nan 8.240 nan 0.000 0.452 2203 F N 0.443 120.349 119.950 -0.073 0.000 2.579 2203 F HA 0.489 5.017 4.527 0.002 0.000 0.324 2203 F C 0.117 175.830 175.800 -0.147 0.000 1.058 2203 F CA -1.258 56.659 58.000 -0.139 0.000 0.944 2203 F CB 1.653 40.435 39.000 -0.364 0.000 1.245 2203 F HN 0.438 nan 8.300 nan 0.000 0.477 2204 D N 1.530 121.989 120.400 0.097 0.000 2.347 2204 D HA 0.358 5.000 4.640 0.003 0.000 0.235 2204 D C 0.548 176.867 176.300 0.032 0.000 1.149 2204 D CA 0.079 54.107 54.000 0.046 0.000 0.850 2204 D CB 1.731 42.560 40.800 0.049 0.000 1.061 2204 D HN 0.173 nan 8.370 nan 0.000 0.487 2205 V N 2.770 122.678 119.914 -0.010 0.000 2.523 2205 V HA 0.079 4.201 4.120 0.003 0.000 0.226 2205 V C 0.935 177.054 176.094 0.041 0.000 1.107 2205 V CA 0.375 62.672 62.300 -0.005 0.000 1.121 2205 V CB 0.010 31.807 31.823 -0.044 0.000 0.753 2205 V HN 0.477 nan 8.190 nan 0.000 0.497 2206 N N 0.113 118.836 118.700 0.037 0.000 2.818 2206 N HA 0.352 5.094 4.740 0.003 0.000 0.301 2206 N C 0.696 176.223 175.510 0.028 0.000 1.821 2206 N CA 0.880 53.952 53.050 0.037 0.000 0.930 2206 N CB 0.954 39.464 38.487 0.038 0.000 1.263 2206 N HN 0.740 nan 8.380 nan 0.000 0.487 2207 G N 0.636 109.451 108.800 0.026 0.000 2.179 2207 G HA2 -0.241 3.721 3.960 0.003 0.000 0.260 2207 G HA3 -0.241 3.721 3.960 0.003 0.000 0.260 2207 G C 0.025 174.937 174.900 0.019 0.000 0.977 2207 G CA 0.074 45.187 45.100 0.021 0.000 0.641 2207 G HN 0.463 nan 8.290 nan 0.000 0.533 2208 E N -0.352 119.861 120.200 0.021 0.000 2.299 2208 E HA 0.535 4.887 4.350 0.003 0.000 0.265 2208 E C -0.428 176.179 176.600 0.012 0.000 0.911 2208 E CA -0.962 55.449 56.400 0.019 0.000 0.789 2208 E CB 1.415 31.132 29.700 0.028 0.000 1.246 2208 E HN 0.205 nan 8.360 nan 0.000 0.427 2209 K N 1.544 121.949 120.400 0.009 0.000 2.227 2209 K HA 0.367 4.689 4.320 0.003 0.000 0.280 2209 K C -0.906 175.697 176.600 0.004 0.000 1.041 2209 K CA -0.513 55.779 56.287 0.009 0.000 0.905 2209 K CB 0.857 33.362 32.500 0.010 0.000 1.068 2209 K HN 0.166 nan 8.250 nan 0.000 0.470 2210 L N 2.233 123.460 121.223 0.006 0.000 2.349 2210 L HA 0.368 4.710 4.340 0.003 0.000 0.278 2210 L C -1.045 175.897 176.870 0.119 0.000 0.996 2210 L CA 0.093 54.935 54.840 0.004 0.000 0.825 2210 L CB 1.987 43.972 42.059 -0.123 0.000 1.243 2210 L HN 0.493 nan 8.230 nan 0.000 0.412 2211 T N 4.553 119.179 114.554 0.120 0.000 2.771 2211 T HA 0.551 4.903 4.350 0.003 0.000 0.281 2211 T C -0.581 174.289 174.700 0.283 0.000 0.982 2211 T CA -0.361 61.865 62.100 0.210 0.000 0.978 2211 T CB 1.397 70.335 68.868 0.117 0.000 0.930 2211 T HN 0.337 nan 8.240 nan 0.000 0.447 2212 V N 4.301 124.469 119.914 0.425 0.000 2.370 2212 V HA 0.562 4.684 4.120 0.003 0.000 0.283 2212 V C -0.065 176.274 176.094 0.409 0.000 1.023 2212 V CA -0.670 61.898 62.300 0.447 0.000 0.857 2212 V CB 1.524 33.649 31.823 0.504 0.000 0.985 2212 V HN 0.658 nan 8.190 nan 0.000 0.443 2213 V N 5.165 125.283 119.914 0.339 0.000 2.604 2213 V HA 0.653 4.775 4.120 0.003 0.000 0.305 2213 V C -0.679 175.558 176.094 0.238 0.000 1.043 2213 V CA -0.534 61.934 62.300 0.281 0.000 0.888 2213 V CB 2.257 34.179 31.823 0.165 0.000 0.995 2213 V HN 0.933 nan 8.190 nan 0.000 0.429 2214 N N 5.303 124.139 118.700 0.227 0.000 2.392 2214 N HA 0.597 5.339 4.740 0.003 0.000 0.283 2214 N C -1.314 174.293 175.510 0.163 0.000 1.003 2214 N CA -0.297 52.874 53.050 0.202 0.000 0.892 2214 N CB 1.384 39.984 38.487 0.188 0.000 1.193 2214 N HN 0.765 nan 8.380 nan 0.000 0.487 2215 L N 2.494 123.829 121.223 0.186 0.000 2.319 2215 L HA 0.576 4.918 4.340 0.003 0.000 0.267 2215 L C -0.692 176.357 176.870 0.299 0.000 1.011 2215 L CA -0.995 53.960 54.840 0.192 0.000 0.818 2215 L CB 1.830 43.951 42.059 0.103 0.000 1.316 2215 L HN 0.341 nan 8.230 nan 0.000 0.432 2216 L N 1.032 122.387 121.223 0.220 0.000 2.341 2216 L HA 0.539 4.881 4.340 0.003 0.000 0.278 2216 L C 0.399 177.416 176.870 0.244 0.000 1.005 2216 L CA -0.445 54.487 54.840 0.154 0.000 0.818 2216 L CB 1.874 43.905 42.059 -0.046 0.000 1.259 2216 L HN 0.672 nan 8.230 nan 0.000 0.418 2217 G N 2.002 110.833 108.800 0.053 0.000 2.621 2217 G HA2 0.373 4.334 3.960 0.003 0.000 0.271 2217 G HA3 0.373 4.334 3.960 0.003 0.000 0.271 2217 G C 0.402 175.339 174.900 0.061 0.000 1.236 2217 G CA -0.244 44.868 45.100 0.019 0.000 0.958 2217 G HN 0.784 nan 8.290 nan 0.000 0.512 2218 R N -1.486 119.061 120.500 0.078 0.000 2.444 2218 R HA 0.164 4.506 4.340 0.003 0.000 0.201 2218 R C 0.411 176.702 176.300 -0.016 0.000 0.861 2218 R CA -0.336 55.792 56.100 0.047 0.000 1.034 2218 R CB 0.066 30.408 30.300 0.071 0.000 1.347 2218 R HN 0.316 nan 8.270 nan 0.000 0.659 2219 V N 3.975 123.834 119.914 -0.091 0.000 2.720 2219 V HA -0.111 4.011 4.120 0.003 0.000 0.307 2219 V C 0.221 176.174 176.094 -0.235 0.000 1.071 2219 V CA 0.781 62.874 62.300 -0.346 0.000 1.199 2219 V CB -0.428 31.067 31.823 -0.547 0.000 0.900 2219 V HN 0.387 nan 8.190 nan 0.000 0.494 2220 F N 1.324 121.309 119.950 0.058 0.000 3.097 2220 F HA -0.249 4.280 4.527 0.003 0.000 0.278 2220 F C 0.219 176.065 175.800 0.076 0.000 0.917 2220 F CA 0.824 58.861 58.000 0.062 0.000 0.962 2220 F CB -2.017 37.017 39.000 0.057 0.000 0.964 2220 F HN 0.431 nan 8.300 nan 0.000 0.668 2221 M N -1.514 118.186 119.600 0.165 0.000 2.683 2221 M HA 0.298 4.780 4.480 0.003 0.000 0.274 2221 M C 0.231 176.591 176.300 0.100 0.000 1.272 2221 M CA -0.966 54.415 55.300 0.135 0.000 0.833 2221 M CB 2.305 34.961 32.600 0.093 0.000 1.708 2221 M HN 0.078 nan 8.290 nan 0.000 0.463 2222 E N 1.125 121.385 120.200 0.101 0.000 2.437 2222 E HA 0.332 4.684 4.350 0.003 0.000 0.263 2222 E C -0.797 175.853 176.600 0.083 0.000 1.030 2222 E CA -0.184 56.274 56.400 0.098 0.000 0.934 2222 E CB 0.894 30.666 29.700 0.119 0.000 0.943 2222 E HN 0.629 nan 8.360 nan 0.000 0.444 2223 A N 3.523 126.390 122.820 0.078 0.000 2.363 2223 A HA 0.486 4.808 4.320 0.003 0.000 0.270 2223 A C -0.158 177.473 177.584 0.078 0.000 1.121 2223 A CA -0.168 51.909 52.037 0.068 0.000 0.800 2223 A CB 0.431 19.466 19.000 0.058 0.000 1.052 2223 A HN 0.552 nan 8.150 nan 0.000 0.493 2224 V N -0.553 119.398 119.914 0.061 0.000 3.065 2224 V HA 0.578 4.700 4.120 0.003 0.000 0.312 2224 V C -0.785 175.340 176.094 0.052 0.000 1.412 2224 V CA -1.171 61.161 62.300 0.054 0.000 1.039 2224 V CB 0.551 32.349 31.823 -0.041 0.000 1.077 2224 V HN 0.613 nan 8.190 nan 0.000 0.473 2225 D N 2.073 122.502 120.400 0.049 0.000 2.372 2225 D HA 0.180 4.821 4.640 0.003 0.000 0.243 2225 D C 0.238 176.579 176.300 0.070 0.000 1.121 2225 D CA 0.241 54.277 54.000 0.060 0.000 0.898 2225 D CB 0.123 40.962 40.800 0.066 0.000 1.202 2225 D HN 0.693 nan 8.370 nan 0.000 0.428 2226 N N 2.872 121.621 118.700 0.081 0.000 2.394 2226 N HA -0.056 4.685 4.740 0.003 0.000 0.282 2226 N C -1.576 174.010 175.510 0.127 0.000 1.351 2226 N CA -1.061 52.062 53.050 0.121 0.000 0.936 2226 N CB 0.771 39.316 38.487 0.098 0.000 1.274 2226 N HN 0.187 nan 8.380 nan 0.000 0.489 2227 P HA -0.175 nan 4.420 nan 0.000 0.218 2227 P C 1.184 178.413 177.300 -0.119 0.000 1.148 2227 P CA 1.337 64.420 63.100 -0.029 0.000 0.822 2227 P CB -0.038 31.616 31.700 -0.077 0.000 0.784 2228 F N 0.465 120.360 119.950 -0.093 0.000 2.146 2228 F HA -0.050 4.479 4.527 0.004 0.000 0.298 2228 F C 2.864 178.663 175.800 -0.002 0.000 1.096 2228 F CA 1.220 59.141 58.000 -0.132 0.000 1.275 2228 F CB -0.691 38.099 39.000 -0.351 0.000 1.008 2228 F HN -0.225 nan 8.300 nan 0.000 0.480 2229 R N -0.518 120.086 120.500 0.174 0.000 2.153 2229 R HA -0.036 4.306 4.340 0.003 0.000 0.218 2229 R C 2.033 178.381 176.300 0.079 0.000 1.072 2229 R CA 1.419 57.590 56.100 0.119 0.000 0.990 2229 R CB -0.664 29.683 30.300 0.077 0.000 0.889 2229 R HN 0.215 nan 8.270 nan 0.000 0.452 2230 T N 1.195 115.784 114.554 0.058 0.000 2.746 2230 T HA -0.110 4.242 4.350 0.003 0.000 0.267 2230 T C 1.809 176.509 174.700 0.001 0.000 1.039 2230 T CA 1.030 63.149 62.100 0.031 0.000 1.142 2230 T CB -0.009 68.875 68.868 0.027 0.000 0.866 2230 T HN 0.048 nan 8.240 nan 0.000 0.444 2231 M N 1.340 120.932 119.600 -0.014 0.000 2.229 2231 M HA -0.034 4.448 4.480 0.003 0.000 0.264 2231 M C 1.641 177.915 176.300 -0.044 0.000 1.063 2231 M CA 1.135 56.400 55.300 -0.058 0.000 1.114 2231 M CB -1.079 31.460 32.600 -0.102 0.000 1.387 2231 M HN 0.121 nan 8.290 nan 0.000 0.420 2232 D N 0.469 120.891 120.400 0.037 0.000 2.218 2232 D HA -0.047 4.595 4.640 0.003 0.000 0.204 2232 D C 1.921 178.209 176.300 -0.020 0.000 0.976 2232 D CA 1.323 55.335 54.000 0.020 0.000 0.853 2232 D CB 0.019 40.875 40.800 0.093 0.000 0.939 2232 D HN 0.321 nan 8.370 nan 0.000 0.481 2233 A N 0.355 123.164 122.820 -0.018 0.000 1.855 2233 A HA -0.023 4.299 4.320 0.003 0.000 0.213 2233 A C 2.145 179.678 177.584 -0.085 0.000 1.195 2233 A CA 0.613 52.631 52.037 -0.033 0.000 0.610 2233 A CB -0.815 18.182 19.000 -0.006 0.000 0.837 2233 A HN 0.236 nan 8.150 nan 0.000 0.444 2234 L N 0.127 121.278 121.223 -0.119 0.000 2.042 2234 L HA -0.093 4.249 4.340 0.003 0.000 0.210 2234 L C 1.744 178.468 176.870 -0.243 0.000 1.076 2234 L CA 1.560 56.260 54.840 -0.234 0.000 0.749 2234 L CB -0.330 41.567 42.059 -0.270 0.000 0.893 2234 L HN 0.386 nan 8.230 nan 0.000 0.432 2235 L N -0.028 121.088 121.223 -0.179 0.000 2.786 2235 L HA -0.062 4.280 4.340 0.003 0.000 0.250 2235 L C 1.634 178.426 176.870 -0.131 0.000 1.151 2235 L CA 0.187 54.930 54.840 -0.162 0.000 0.910 2235 L CB -0.670 41.302 42.059 -0.144 0.000 1.082 2235 L HN 0.388 nan 8.230 nan 0.000 0.433 2236 E N 0.027 120.151 120.200 -0.127 0.000 2.431 2236 E HA 0.097 4.449 4.350 0.003 0.000 0.200 2236 E C 0.685 177.225 176.600 -0.101 0.000 0.995 2236 E CA 0.003 56.347 56.400 -0.092 0.000 0.915 2236 E CB 0.464 30.123 29.700 -0.067 0.000 0.930 2236 E HN 0.504 nan 8.360 nan 0.000 0.496 2237 R N 1.166 121.577 120.500 -0.149 0.000 2.726 2237 R HA 0.082 4.424 4.340 0.003 0.000 0.272 2237 R C 0.873 177.101 176.300 -0.120 0.000 1.097 2237 R CA 0.305 56.315 56.100 -0.150 0.000 1.198 2237 R CB 0.528 30.673 30.300 -0.259 0.000 1.114 2237 R HN 0.031 nan 8.270 nan 0.000 0.550 2238 D N 0.369 120.715 120.400 -0.089 0.000 2.725 2238 D HA -0.091 4.551 4.640 0.003 0.000 0.269 2238 D C 0.238 176.502 176.300 -0.060 0.000 1.018 2238 D CA 0.409 54.370 54.000 -0.065 0.000 0.956 2238 D CB -0.089 40.687 40.800 -0.040 0.000 1.141 2238 D HN 0.577 nan 8.370 nan 0.000 0.478 2239 D N 1.655 122.027 120.400 -0.047 0.000 2.636 2239 D HA -0.038 4.603 4.640 0.003 0.000 0.256 2239 D C 1.461 177.741 176.300 -0.034 0.000 1.280 2239 D CA 0.077 54.063 54.000 -0.024 0.000 0.910 2239 D CB -0.518 40.288 40.800 0.009 0.000 1.045 2239 D HN 0.286 nan 8.370 nan 0.000 0.472 2240 L N -0.646 120.535 121.223 -0.071 0.000 2.298 2240 L HA 0.214 4.556 4.340 0.003 0.000 0.209 2240 L C 1.834 178.677 176.870 -0.045 0.000 1.084 2240 L CA 0.421 55.214 54.840 -0.079 0.000 0.816 2240 L CB -0.585 41.387 42.059 -0.144 0.000 0.967 2240 L HN 0.403 nan 8.230 nan 0.000 0.460 2241 G N 0.608 109.381 108.800 -0.045 0.000 2.556 2241 G HA2 -0.306 3.656 3.960 0.003 0.000 0.283 2241 G HA3 -0.306 3.656 3.960 0.003 0.000 0.283 2241 G C 0.084 174.947 174.900 -0.061 0.000 1.177 2241 G CA 0.107 45.185 45.100 -0.037 0.000 0.978 2241 G HN 0.177 nan 8.290 nan 0.000 0.554 2242 T N 1.361 115.875 114.554 -0.067 0.000 2.749 2242 T HA 0.514 4.866 4.350 0.003 0.000 0.295 2242 T C 0.333 174.940 174.700 -0.155 0.000 0.936 2242 T CA -0.016 62.000 62.100 -0.141 0.000 1.060 2242 T CB 1.482 70.252 68.868 -0.163 0.000 0.904 2242 T HN 0.851 nan 8.240 nan 0.000 0.500 2243 V N 4.616 124.420 119.914 -0.184 0.000 2.427 2243 V HA 0.526 4.648 4.120 0.003 0.000 0.286 2243 V C -0.442 175.573 176.094 -0.132 0.000 1.034 2243 V CA -0.939 61.288 62.300 -0.121 0.000 0.893 2243 V CB 0.998 32.747 31.823 -0.124 0.000 0.982 2243 V HN 0.800 nan 8.190 nan 0.000 0.452 2244 F N 4.885 124.748 119.950 -0.146 0.000 2.482 2244 F HA 0.748 5.277 4.527 0.004 0.000 0.331 2244 F C -0.498 175.270 175.800 -0.054 0.000 1.115 2244 F CA -0.597 57.339 58.000 -0.107 0.000 0.955 2244 F CB 1.740 40.737 39.000 -0.004 0.000 1.136 2244 F HN 0.265 nan 8.300 nan 0.000 0.452 2245 V N 5.023 124.572 119.914 -0.608 0.000 2.409 2245 V HA 0.260 4.381 4.120 0.003 0.000 0.291 2245 V C -0.983 174.833 176.094 -0.465 0.000 1.020 2245 V CA -0.752 61.342 62.300 -0.345 0.000 0.848 2245 V CB 1.504 33.153 31.823 -0.290 0.000 0.990 2245 V HN 0.662 nan 8.190 nan 0.000 0.430 2246 D N 4.406 124.771 120.400 -0.058 0.000 2.485 2246 D HA 0.175 4.817 4.640 0.003 0.000 0.221 2246 D C -0.818 175.602 176.300 0.200 0.000 1.112 2246 D CA -0.475 53.547 54.000 0.038 0.000 0.911 2246 D CB 0.635 41.614 40.800 0.298 0.000 1.019 2246 D HN 0.218 nan 8.370 nan 0.000 0.516 2247 F N 4.685 124.610 119.950 -0.042 0.000 2.413 2247 F HA 0.186 4.715 4.527 0.003 0.000 0.359 2247 F C -0.135 175.727 175.800 0.103 0.000 1.122 2247 F CA -0.759 57.245 58.000 0.006 0.000 1.160 2247 F CB 0.183 39.151 39.000 -0.053 0.000 1.146 2247 F HN 0.406 nan 8.300 nan 0.000 0.514 2248 H N 6.054 125.164 119.070 0.068 0.000 2.821 2248 H HA 0.598 5.156 4.556 0.003 0.000 0.262 2248 H C -0.906 174.246 175.328 -0.292 0.000 1.402 2248 H CA -0.048 55.968 56.048 -0.052 0.000 1.293 2248 H CB 0.237 30.016 29.762 0.030 0.000 1.533 2248 H HN 0.754 nan 8.280 nan 0.000 0.528 2249 A N 3.257 125.766 122.820 -0.518 0.000 2.483 2249 A HA 0.342 4.664 4.320 0.003 0.000 0.286 2249 A C 0.561 178.076 177.584 -0.116 0.000 1.207 2249 A CA -0.626 51.127 52.037 -0.473 0.000 0.764 2249 A CB 1.746 20.167 19.000 -0.965 0.000 1.341 2249 A HN 0.615 nan 8.150 nan 0.000 0.428 2250 E N -0.366 119.847 120.200 0.022 0.000 2.288 2250 E HA 0.404 4.756 4.350 0.003 0.000 0.200 2250 E C 0.753 177.440 176.600 0.143 0.000 0.880 2250 E CA 0.771 57.259 56.400 0.147 0.000 0.971 2250 E CB 0.227 30.097 29.700 0.283 0.000 0.954 2250 E HN 0.968 nan 8.360 nan 0.000 0.489 2251 A N 0.964 123.897 122.820 0.188 0.000 2.450 2251 A HA 0.257 4.579 4.320 0.003 0.000 0.255 2251 A C 1.223 178.890 177.584 0.139 0.000 1.096 2251 A CA 0.479 52.653 52.037 0.228 0.000 0.778 2251 A CB 0.107 19.176 19.000 0.115 0.000 1.031 2251 A HN 0.436 nan 8.150 nan 0.000 0.494 2252 T N -0.084 114.561 114.554 0.150 0.000 2.915 2252 T HA -0.162 4.190 4.350 0.003 0.000 0.269 2252 T C 1.819 176.626 174.700 0.179 0.000 1.071 2252 T CA 1.742 63.929 62.100 0.144 0.000 1.132 2252 T CB -0.615 68.329 68.868 0.126 0.000 0.878 2252 T HN 1.074 nan 8.240 nan 0.000 0.479 2253 S N 1.199 116.999 115.700 0.166 0.000 2.402 2253 S HA -0.107 4.365 4.470 0.003 0.000 0.229 2253 S C 2.070 176.800 174.600 0.216 0.000 1.021 2253 S CA 1.154 59.453 58.200 0.165 0.000 0.974 2253 S CB -0.560 62.711 63.200 0.118 0.000 0.800 2253 S HN 0.727 nan 8.310 nan 0.000 0.484 2254 E N 1.304 121.642 120.200 0.230 0.000 2.107 2254 E HA -0.084 4.268 4.350 0.003 0.000 0.191 2254 E C 2.009 178.934 176.600 0.542 0.000 0.982 2254 E CA 0.857 57.488 56.400 0.385 0.000 0.809 2254 E CB -0.024 29.851 29.700 0.292 0.000 0.756 2254 E HN 0.585 nan 8.360 nan 0.000 0.459 2255 K N 0.378 121.011 120.400 0.388 0.000 2.025 2255 K HA -0.101 4.221 4.320 0.003 0.000 0.207 2255 K C 2.083 178.926 176.600 0.406 0.000 1.049 2255 K CA 1.416 57.987 56.287 0.474 0.000 0.933 2255 K CB 0.012 32.699 32.500 0.311 0.000 0.714 2255 K HN 0.141 nan 8.250 nan 0.000 0.438 2256 E N 0.536 120.914 120.200 0.296 0.000 2.204 2256 E HA -0.166 4.186 4.350 0.003 0.000 0.195 2256 E C 1.994 178.696 176.600 0.171 0.000 0.990 2256 E CA 0.916 57.363 56.400 0.078 0.000 0.821 2256 E CB -0.054 29.759 29.700 0.188 0.000 0.750 2256 E HN 0.314 nan 8.360 nan 0.000 0.477 2257 A N 1.313 124.333 122.820 0.332 0.000 1.898 2257 A HA -0.171 4.151 4.320 0.003 0.000 0.216 2257 A C 2.141 180.032 177.584 0.512 0.000 1.181 2257 A CA 1.368 53.666 52.037 0.435 0.000 0.620 2257 A CB -0.340 18.922 19.000 0.435 0.000 0.819 2257 A HN 0.163 nan 8.150 nan 0.000 0.442 2258 M N 0.487 120.287 119.600 0.333 0.000 2.132 2258 M HA 0.017 4.498 4.480 0.003 0.000 0.263 2258 M C 1.960 178.242 176.300 -0.030 0.000 1.065 2258 M CA 1.760 57.014 55.300 -0.077 0.000 1.122 2258 M CB -1.031 31.220 32.600 -0.582 0.000 1.365 2258 M HN 0.307 nan 8.290 nan 0.000 0.411 2259 G N -0.963 107.768 108.800 -0.115 0.000 2.459 2259 G HA2 -0.276 3.686 3.960 0.003 0.000 0.217 2259 G HA3 -0.276 3.686 3.960 0.003 0.000 0.217 2259 G C 1.298 176.004 174.900 -0.323 0.000 1.183 2259 G CA 0.988 45.863 45.100 -0.375 0.000 0.776 2259 G HN 0.669 nan 8.290 nan 0.000 0.552 2260 W N -0.352 120.880 121.300 -0.114 0.000 2.425 2260 W HA 0.040 4.702 4.660 0.004 0.000 0.277 2260 W C 2.429 178.978 176.519 0.050 0.000 1.231 2260 W CA 0.728 58.047 57.345 -0.042 0.000 1.248 2260 W CB -0.098 29.347 29.460 -0.025 0.000 1.117 2260 W HN 0.379 nan 8.180 nan 0.000 0.568 2261 H N -0.382 118.805 119.070 0.195 0.000 2.363 2261 H HA -0.070 4.487 4.556 0.003 0.000 0.301 2261 H C 1.712 177.064 175.328 0.041 0.000 1.074 2261 H CA 1.517 57.655 56.048 0.149 0.000 1.354 2261 H CB -0.231 29.673 29.762 0.237 0.000 1.397 2261 H HN -0.054 nan 8.280 nan 0.000 0.516 2262 L N 0.788 121.940 121.223 -0.119 0.000 2.592 2262 L HA 0.346 4.688 4.340 0.003 0.000 0.227 2262 L C 0.816 177.601 176.870 -0.141 0.000 1.127 2262 L CA 0.544 55.250 54.840 -0.223 0.000 0.884 2262 L CB -0.868 41.057 42.059 -0.223 0.000 1.065 2262 L HN 0.282 nan 8.230 nan 0.000 0.457 2263 A N -0.055 122.721 122.820 -0.074 0.000 2.505 2263 A HA 0.447 4.768 4.320 0.003 0.000 0.271 2263 A C 1.458 179.031 177.584 -0.019 0.000 1.112 2263 A CA 0.711 52.720 52.037 -0.046 0.000 0.781 2263 A CB -0.763 18.251 19.000 0.023 0.000 1.059 2263 A HN 0.649 nan 8.150 nan 0.000 0.508 2264 G N 2.403 111.182 108.800 -0.036 0.000 2.163 2264 G HA2 -0.207 3.755 3.960 0.003 0.000 0.213 2264 G HA3 -0.207 3.755 3.960 0.003 0.000 0.213 2264 G C 0.468 175.336 174.900 -0.052 0.000 0.991 2264 G CA 0.373 45.458 45.100 -0.025 0.000 0.653 2264 G HN 1.622 nan 8.290 nan 0.000 0.518 2265 R N -1.547 118.902 120.500 -0.085 0.000 2.478 2265 R HA 0.588 4.929 4.340 0.003 0.000 0.377 2265 R C -0.473 175.751 176.300 -0.128 0.000 0.853 2265 R CA -0.005 56.034 56.100 -0.102 0.000 1.113 2265 R CB 0.636 30.866 30.300 -0.116 0.000 1.725 2265 R HN 0.504 nan 8.270 nan 0.000 0.524 2266 V N 0.607 120.441 119.914 -0.133 0.000 2.851 2266 V HA 0.481 4.602 4.120 0.003 0.000 0.307 2266 V C 0.473 176.472 176.094 -0.159 0.000 1.129 2266 V CA -0.293 61.908 62.300 -0.165 0.000 0.932 2266 V CB 1.989 33.699 31.823 -0.190 0.000 1.024 2266 V HN 0.229 nan 8.190 nan 0.000 0.426 2267 A N 3.065 125.752 122.820 -0.222 0.000 1.970 2267 A HA 0.704 5.026 4.320 0.003 0.000 0.216 2267 A C 0.950 178.480 177.584 -0.090 0.000 1.170 2267 A CA 1.251 53.161 52.037 -0.212 0.000 0.645 2267 A CB 0.057 18.710 19.000 -0.578 0.000 0.816 2267 A HN 1.538 nan 8.150 nan 0.000 0.447 2268 A N -1.246 121.455 122.820 -0.200 0.000 2.520 2268 A HA 0.585 4.907 4.320 0.003 0.000 0.298 2268 A C -1.323 175.990 177.584 -0.452 0.000 1.051 2268 A CA -0.321 51.601 52.037 -0.192 0.000 0.690 2268 A CB 1.504 20.514 19.000 0.017 0.000 1.281 2268 A HN 0.475 nan 8.150 nan 0.000 0.402 2269 V N 3.274 122.999 119.914 -0.315 0.000 2.385 2269 V HA 0.344 4.465 4.120 0.003 0.000 0.277 2269 V C -1.185 174.742 176.094 -0.280 0.000 1.012 2269 V CA -0.083 62.051 62.300 -0.277 0.000 0.832 2269 V CB 0.700 32.515 31.823 -0.014 0.000 1.028 2269 V HN 0.677 nan 8.190 nan 0.000 0.436 2270 I N 3.879 124.168 120.570 -0.469 0.000 2.339 2270 I HA 0.638 4.810 4.170 0.003 0.000 0.290 2270 I C 1.043 177.050 176.117 -0.184 0.000 0.994 2270 I CA 0.085 61.177 61.300 -0.347 0.000 1.191 2270 I CB 1.634 39.404 38.000 -0.384 0.000 1.343 2270 I HN 0.564 nan 8.210 nan 0.000 0.458 2271 G N 3.951 112.688 108.800 -0.105 0.000 2.539 2271 G HA2 0.639 4.600 3.960 0.003 0.000 0.258 2271 G HA3 0.639 4.600 3.960 0.003 0.000 0.258 2271 G C -0.207 174.748 174.900 0.091 0.000 1.202 2271 G CA 0.011 45.113 45.100 0.003 0.000 0.851 2271 G HN 0.634 nan 8.290 nan 0.000 0.556 2272 T N -3.386 111.231 114.554 0.104 0.000 2.681 2272 T HA 0.508 4.860 4.350 0.003 0.000 0.296 2272 T C 0.213 174.920 174.700 0.010 0.000 1.157 2272 T CA 0.268 62.483 62.100 0.192 0.000 1.025 2272 T CB 1.618 70.749 68.868 0.438 0.000 1.441 2272 T HN 1.333 nan 8.240 nan 0.000 0.504 2273 H N -1.336 117.672 119.070 -0.103 0.000 4.457 2273 H HA -0.257 4.300 4.556 0.003 0.000 0.106 2273 H C 1.019 176.193 175.328 -0.255 0.000 0.617 2273 H CA 1.966 57.813 56.048 -0.334 0.000 1.147 2273 H CB -1.550 27.682 29.762 -0.885 0.000 0.489 2273 H HN 0.918 nan 8.280 nan 0.000 0.708 2274 T N -2.086 112.312 114.554 -0.259 0.000 3.081 2274 T HA 0.093 4.444 4.350 0.003 0.000 0.250 2274 T C 0.697 175.197 174.700 -0.335 0.000 1.100 2274 T CA 0.987 62.835 62.100 -0.421 0.000 1.038 2274 T CB -0.115 68.613 68.868 -0.233 0.000 0.962 2274 T HN 0.591 nan 8.240 nan 0.000 0.516 2275 H N -0.954 117.963 119.070 -0.255 0.000 3.395 2275 H HA -0.104 4.454 4.556 0.004 0.000 0.222 2275 H C -0.361 174.759 175.328 -0.346 0.000 1.099 2275 H CA 0.407 56.192 56.048 -0.438 0.000 1.182 2275 H CB -2.312 26.877 29.762 -0.955 0.000 1.188 2275 H HN 0.445 nan 8.280 nan 0.000 0.317 2276 V N 2.755 122.629 119.914 -0.066 0.000 2.443 2276 V HA 0.354 4.476 4.120 0.003 0.000 0.293 2276 V C -1.899 174.199 176.094 0.007 0.000 1.021 2276 V CA -1.428 60.845 62.300 -0.045 0.000 0.848 2276 V CB 2.633 34.403 31.823 -0.088 0.000 0.998 2276 V HN -0.041 nan 8.190 nan 0.000 0.424 2277 P HA 0.202 nan 4.420 nan 0.000 0.271 2277 P C -0.347 176.963 177.300 0.017 0.000 1.218 2277 P CA 0.127 63.254 63.100 0.045 0.000 0.780 2277 P CB 0.868 32.605 31.700 0.063 0.000 0.901 2278 T N -2.038 112.521 114.554 0.008 0.000 2.888 2278 T HA 0.600 4.951 4.350 0.003 0.000 0.284 2278 T C 0.744 175.446 174.700 0.003 0.000 1.017 2278 T CA -0.865 61.235 62.100 0.000 0.000 1.022 2278 T CB 1.518 70.381 68.868 -0.010 0.000 1.013 2278 T HN 0.339 nan 8.240 nan 0.000 0.465 2279 A N 1.342 124.168 122.820 0.011 0.000 2.411 2279 A HA 0.229 4.551 4.320 0.003 0.000 0.251 2279 A C 1.296 178.896 177.584 0.026 0.000 1.317 2279 A CA -0.083 51.964 52.037 0.016 0.000 0.904 2279 A CB -0.619 18.390 19.000 0.016 0.000 0.993 2279 A HN 0.883 nan 8.150 nan 0.000 0.504 2280 D N -1.009 119.407 120.400 0.027 0.000 2.340 2280 D HA -0.008 4.634 4.640 0.003 0.000 0.217 2280 D C 0.035 176.365 176.300 0.049 0.000 1.081 2280 D CA 0.157 54.190 54.000 0.056 0.000 0.842 2280 D CB -1.088 39.772 40.800 0.100 0.000 0.934 2280 D HN 0.100 nan 8.370 nan 0.000 0.511 2281 T N 1.617 116.178 114.554 0.012 0.000 2.723 2281 T HA -0.044 4.307 4.350 0.003 0.000 0.260 2281 T C 0.416 175.140 174.700 0.041 0.000 1.019 2281 T CA 0.486 62.590 62.100 0.005 0.000 1.155 2281 T CB 0.866 69.741 68.868 0.012 0.000 1.024 2281 T HN 0.269 nan 8.240 nan 0.000 0.491 2282 R N 1.874 122.408 120.500 0.057 0.000 2.826 2282 R HA 0.524 4.866 4.340 0.003 0.000 0.269 2282 R C -1.886 174.451 176.300 0.061 0.000 1.031 2282 R CA -0.794 55.345 56.100 0.065 0.000 0.900 2282 R CB 1.172 31.520 30.300 0.080 0.000 1.318 2282 R HN 0.592 nan 8.270 nan 0.000 0.447 2283 I N 3.233 123.830 120.570 0.046 0.000 2.476 2283 I HA 0.298 4.470 4.170 0.003 0.000 0.281 2283 I C -0.061 176.059 176.117 0.006 0.000 1.040 2283 I CA -0.624 60.699 61.300 0.038 0.000 1.094 2283 I CB 1.737 39.770 38.000 0.055 0.000 1.219 2283 I HN 0.338 nan 8.210 nan 0.000 0.450 2284 L N 5.076 126.260 121.223 -0.064 0.000 2.452 2284 L HA 0.226 4.568 4.340 0.003 0.000 0.267 2284 L C 0.822 177.696 176.870 0.006 0.000 1.188 2284 L CA -0.363 54.404 54.840 -0.122 0.000 0.821 2284 L CB 0.218 42.042 42.059 -0.392 0.000 1.102 2284 L HN 0.536 nan 8.230 nan 0.000 0.470 2285 K N 1.360 121.818 120.400 0.096 0.000 2.472 2285 K HA 0.151 4.473 4.320 0.003 0.000 0.280 2285 K C 0.774 177.421 176.600 0.077 0.000 1.028 2285 K CA 1.032 57.382 56.287 0.104 0.000 1.045 2285 K CB 0.077 32.662 32.500 0.142 0.000 0.902 2285 K HN 0.855 nan 8.250 nan 0.000 0.478 2286 G N 2.417 111.249 108.800 0.053 0.000 2.175 2286 G HA2 -0.123 3.839 3.960 0.003 0.000 0.182 2286 G HA3 -0.123 3.839 3.960 0.003 0.000 0.182 2286 G C 0.520 175.435 174.900 0.025 0.000 1.003 2286 G CA -0.079 45.042 45.100 0.035 0.000 0.666 2286 G HN 1.328 nan 8.290 nan 0.000 0.506 2287 G N -0.772 108.050 108.800 0.037 0.000 2.272 2287 G HA2 0.054 4.016 3.960 0.003 0.000 0.280 2287 G HA3 0.054 4.016 3.960 0.003 0.000 0.280 2287 G C 0.063 174.991 174.900 0.047 0.000 1.067 2287 G CA 0.882 46.013 45.100 0.051 0.000 0.902 2287 G HN 1.539 nan 8.290 nan 0.000 0.500 2288 T N 0.606 115.171 114.554 0.019 0.000 2.772 2288 T HA 0.692 5.044 4.350 0.003 0.000 0.288 2288 T C 0.576 175.292 174.700 0.027 0.000 0.994 2288 T CA 0.375 62.474 62.100 -0.001 0.000 0.951 2288 T CB 1.631 70.460 68.868 -0.065 0.000 0.933 2288 T HN 1.337 nan 8.240 nan 0.000 0.447 2289 A N 3.805 126.677 122.820 0.087 0.000 2.450 2289 A HA 0.594 4.916 4.320 0.003 0.000 0.255 2289 A C -0.818 176.815 177.584 0.082 0.000 1.096 2289 A CA -0.207 51.891 52.037 0.102 0.000 0.778 2289 A CB -0.010 19.096 19.000 0.175 0.000 1.031 2289 A HN 0.877 nan 8.150 nan 0.000 0.494 2290 Y N 0.900 121.153 120.300 -0.078 0.000 2.470 2290 Y HA 0.565 5.118 4.550 0.004 0.000 0.341 2290 Y C -0.649 175.213 175.900 -0.064 0.000 1.021 2290 Y CA -0.488 57.544 58.100 -0.113 0.000 1.025 2290 Y CB 1.741 40.080 38.460 -0.202 0.000 1.266 2290 Y HN 0.790 nan 8.280 nan 0.000 0.448 2291 Q N 3.085 122.280 119.800 -1.008 0.000 2.284 2291 Q HA 0.229 4.571 4.340 0.003 0.000 0.269 2291 Q C -0.170 175.304 176.000 -0.878 0.000 1.026 2291 Q CA -0.054 55.319 55.803 -0.717 0.000 0.831 2291 Q CB 2.081 30.662 28.738 -0.261 0.000 1.322 2291 Q HN 0.892 nan 8.270 nan 0.000 0.419 2292 T N 0.310 114.515 114.554 -0.583 0.000 2.962 2292 T HA 0.001 4.353 4.350 0.003 0.000 0.270 2292 T C 0.208 174.832 174.700 -0.127 0.000 1.088 2292 T CA 1.268 63.208 62.100 -0.266 0.000 1.127 2292 T CB 0.139 69.012 68.868 0.009 0.000 0.883 2292 T HN 0.512 nan 8.240 nan 0.000 0.493 2293 D N -0.657 119.685 120.400 -0.096 0.000 2.614 2293 D HA 0.417 5.059 4.640 0.003 0.000 0.203 2293 D C 0.454 176.784 176.300 0.051 0.000 1.312 2293 D CA 0.024 54.023 54.000 -0.001 0.000 0.889 2293 D CB 1.499 42.301 40.800 0.004 0.000 1.615 2293 D HN 0.111 nan 8.370 nan 0.000 0.567 2294 A N 2.208 125.112 122.820 0.139 0.000 2.178 2294 A HA 0.414 4.735 4.320 0.003 0.000 0.218 2294 A C 1.270 178.953 177.584 0.165 0.000 1.157 2294 A CA 1.570 53.724 52.037 0.194 0.000 0.689 2294 A CB -0.666 18.568 19.000 0.390 0.000 0.787 2294 A HN 1.219 nan 8.150 nan 0.000 0.465 2295 G N -1.812 107.084 108.800 0.160 0.000 2.795 2295 G HA2 0.121 4.083 3.960 0.003 0.000 0.664 2295 G HA3 0.121 4.083 3.960 0.003 0.000 0.664 2295 G C -0.300 174.762 174.900 0.269 0.000 1.381 2295 G CA -0.224 44.983 45.100 0.179 0.000 0.853 2295 G HN 1.647 nan 8.290 nan 0.000 0.545 2296 F N -1.353 118.592 119.950 -0.008 0.000 2.671 2296 F HA 0.937 5.466 4.527 0.004 0.000 0.373 2296 F C 0.213 175.961 175.800 -0.086 0.000 1.122 2296 F CA -1.438 56.513 58.000 -0.080 0.000 1.082 2296 F CB 1.197 40.033 39.000 -0.274 0.000 1.399 2296 F HN 0.644 nan 8.300 nan 0.000 0.509 2297 T N 1.519 115.726 114.554 -0.578 0.000 2.934 2297 T HA 0.719 5.071 4.350 0.003 0.000 0.328 2297 T C -0.142 174.010 174.700 -0.913 0.000 1.068 2297 T CA -0.067 61.659 62.100 -0.623 0.000 1.018 2297 T CB 0.330 69.021 68.868 -0.295 0.000 1.009 2297 T HN 1.226 nan 8.240 nan 0.000 0.471 2298 G N 3.890 112.017 108.800 -1.122 0.000 2.335 2298 G HA2 0.484 4.446 3.960 0.003 0.000 0.291 2298 G HA3 0.484 4.446 3.960 0.003 0.000 0.291 2298 G C -3.204 171.410 174.900 -0.477 0.000 1.261 2298 G CA -0.908 43.744 45.100 -0.747 0.000 0.871 2298 G HN 0.335 nan 8.290 nan 0.000 0.491 2299 P HA -0.033 nan 4.420 nan 0.000 0.259 2299 P C -0.031 177.331 177.300 0.103 0.000 1.163 2299 P CA 0.787 63.884 63.100 -0.005 0.000 0.760 2299 P CB 0.668 32.372 31.700 0.006 0.000 0.762 2300 H N 2.326 121.378 119.070 -0.031 0.000 2.436 2300 H HA 0.017 4.574 4.556 0.003 0.000 0.294 2300 H C -0.056 175.263 175.328 -0.015 0.000 1.048 2300 H CA 1.164 57.203 56.048 -0.016 0.000 1.353 2300 H CB 0.307 30.028 29.762 -0.069 0.000 1.414 2300 H HN 0.294 nan 8.280 nan 0.000 0.536 2301 D N 0.721 121.086 120.400 -0.058 0.000 2.472 2301 D HA 0.292 4.933 4.640 0.003 0.000 0.234 2301 D C -0.512 175.741 176.300 -0.079 0.000 1.088 2301 D CA -0.011 53.917 54.000 -0.119 0.000 0.882 2301 D CB 1.013 41.776 40.800 -0.060 0.000 1.037 2301 D HN 0.430 nan 8.370 nan 0.000 0.520 2302 S N 0.324 115.960 115.700 -0.108 0.000 2.656 2302 S HA 0.471 4.942 4.470 0.003 0.000 0.265 2302 S C -1.178 173.341 174.600 -0.135 0.000 1.132 2302 S CA -0.929 57.209 58.200 -0.102 0.000 0.819 2302 S CB 0.614 63.751 63.200 -0.105 0.000 1.119 2302 S HN 0.178 nan 8.310 nan 0.000 0.476 2303 I N 1.944 122.433 120.570 -0.136 0.000 2.307 2303 I HA 0.457 4.629 4.170 0.003 0.000 0.287 2303 I C 0.908 176.897 176.117 -0.214 0.000 1.054 2303 I CA -0.532 60.688 61.300 -0.133 0.000 1.218 2303 I CB 0.546 38.519 38.000 -0.046 0.000 1.398 2303 I HN 0.846 nan 8.210 nan 0.000 0.475 2304 I N 4.910 125.312 120.570 -0.280 0.000 5.574 2304 I HA -0.419 3.753 4.170 0.003 0.000 0.209 2304 I C 1.128 176.910 176.117 -0.558 0.000 1.800 2304 I CA 1.247 62.324 61.300 -0.372 0.000 1.734 2304 I CB -0.606 37.229 38.000 -0.275 0.000 3.304 2304 I HN 0.983 nan 8.210 nan 0.000 0.243 2305 G N -0.764 107.704 108.800 -0.554 0.000 2.296 2305 G HA2 -0.176 3.786 3.960 0.003 0.000 0.188 2305 G HA3 -0.176 3.786 3.960 0.003 0.000 0.188 2305 G C 0.126 174.680 174.900 -0.576 0.000 1.000 2305 G CA 0.149 44.746 45.100 -0.838 0.000 0.672 2305 G HN 0.493 nan 8.290 nan 0.000 0.483 2306 S N 0.611 116.108 115.700 -0.338 0.000 2.654 2306 S HA 0.781 5.253 4.470 0.003 0.000 0.283 2306 S C 0.790 175.329 174.600 -0.101 0.000 1.180 2306 S CA 0.129 58.228 58.200 -0.169 0.000 1.021 2306 S CB 1.690 64.711 63.200 -0.299 0.000 1.018 2306 S HN 1.586 nan 8.310 nan 0.000 0.532 2307 A N 1.405 124.213 122.820 -0.019 0.000 2.555 2307 A HA 0.167 4.489 4.320 0.003 0.000 0.233 2307 A C 1.211 178.800 177.584 0.009 0.000 1.060 2307 A CA -0.039 52.008 52.037 0.016 0.000 0.759 2307 A CB -0.413 18.629 19.000 0.069 0.000 0.995 2307 A HN 0.869 nan 8.150 nan 0.000 0.506 2308 I N 0.359 120.934 120.570 0.008 0.000 2.252 2308 I HA -0.200 3.971 4.170 0.003 0.000 0.245 2308 I C 2.402 178.544 176.117 0.043 0.000 1.102 2308 I CA 1.814 63.121 61.300 0.011 0.000 1.385 2308 I CB -0.351 37.646 38.000 -0.005 0.000 1.064 2308 I HN 1.027 nan 8.210 nan 0.000 0.414 2309 E N 1.350 121.580 120.200 0.051 0.000 2.012 2309 E HA -0.209 4.142 4.350 0.003 0.000 0.197 2309 E C 2.185 178.833 176.600 0.079 0.000 1.007 2309 E CA 1.677 58.109 56.400 0.054 0.000 0.816 2309 E CB -0.389 29.345 29.700 0.056 0.000 0.762 2309 E HN 0.433 nan 8.360 nan 0.000 0.451 2310 G N 1.270 110.166 108.800 0.161 0.000 2.812 2310 G HA2 -0.287 3.675 3.960 0.003 0.000 0.218 2310 G HA3 -0.287 3.675 3.960 0.003 0.000 0.218 2310 G C -0.813 174.268 174.900 0.301 0.000 1.287 2310 G CA 1.672 46.951 45.100 0.298 0.000 0.796 2310 G HN 0.360 nan 8.290 nan 0.000 0.649 2311 P HA -0.086 nan 4.420 nan 0.000 0.217 2311 P C 2.074 179.461 177.300 0.144 0.000 1.148 2311 P CA 0.786 64.000 63.100 0.189 0.000 0.834 2311 P CB -0.121 31.630 31.700 0.085 0.000 0.783 2312 L N -1.269 120.047 121.223 0.154 0.000 2.093 2312 L HA -0.202 4.140 4.340 0.003 0.000 0.208 2312 L C 2.562 179.455 176.870 0.039 0.000 1.085 2312 L CA 1.372 56.307 54.840 0.158 0.000 0.755 2312 L CB -0.552 41.551 42.059 0.074 0.000 0.904 2312 L HN 0.014 nan 8.230 nan 0.000 0.435 2313 Q N -0.296 119.413 119.800 -0.152 0.000 2.016 2313 Q HA -0.178 4.163 4.340 0.003 0.000 0.200 2313 Q C 2.253 178.067 176.000 -0.310 0.000 0.978 2313 Q CA 1.219 56.764 55.803 -0.431 0.000 0.833 2313 Q CB -0.394 27.623 28.738 -1.201 0.000 0.895 2313 Q HN 0.406 nan 8.270 nan 0.000 0.427 2314 R N -0.136 120.221 120.500 -0.238 0.000 2.134 2314 R HA -0.170 4.172 4.340 0.003 0.000 0.248 2314 R C 2.242 178.482 176.300 -0.099 0.000 1.143 2314 R CA 1.407 57.442 56.100 -0.107 0.000 0.957 2314 R CB -0.523 29.663 30.300 -0.189 0.000 0.867 2314 R HN 0.245 nan 8.270 nan 0.000 0.441 2315 F N 0.322 120.274 119.950 0.004 0.000 2.259 2315 F HA -0.064 4.465 4.527 0.003 0.000 0.298 2315 F C 2.328 178.122 175.800 -0.011 0.000 1.088 2315 F CA 0.855 58.855 58.000 -0.000 0.000 1.358 2315 F CB -0.308 38.685 39.000 -0.011 0.000 1.040 2315 F HN -0.041 nan 8.300 nan 0.000 0.505 2316 L N -0.941 120.372 121.223 0.150 0.000 2.130 2316 L HA -0.078 4.264 4.340 0.003 0.000 0.200 2316 L C 2.499 179.403 176.870 0.058 0.000 1.075 2316 L CA 1.632 56.519 54.840 0.078 0.000 0.768 2316 L CB -0.793 41.287 42.059 0.035 0.000 0.933 2316 L HN 0.173 nan 8.230 nan 0.000 0.451 2317 T N -3.879 110.703 114.554 0.046 0.000 3.081 2317 T HA -0.014 4.338 4.350 0.003 0.000 0.255 2317 T C 0.745 175.495 174.700 0.084 0.000 1.113 2317 T CA 0.290 62.437 62.100 0.079 0.000 1.082 2317 T CB -0.065 68.894 68.868 0.152 0.000 0.939 2317 T HN 0.418 nan 8.240 nan 0.000 0.506 2318 E N 0.146 120.391 120.200 0.075 0.000 3.065 2318 E HA -0.204 4.148 4.350 0.003 0.000 0.277 2318 E C 0.056 176.689 176.600 0.056 0.000 1.008 2318 E CA 0.446 56.882 56.400 0.060 0.000 0.864 2318 E CB -1.166 28.568 29.700 0.056 0.000 1.439 2318 E HN 0.651 nan 8.360 nan 0.000 0.445 2319 R N 0.503 121.063 120.500 0.099 0.000 2.828 2319 R HA 0.394 4.736 4.340 0.003 0.000 0.264 2319 R C -2.449 173.897 176.300 0.076 0.000 1.022 2319 R CA -2.119 54.020 56.100 0.064 0.000 1.021 2319 R CB 0.919 31.244 30.300 0.043 0.000 1.163 2319 R HN -0.128 nan 8.270 nan 0.000 0.494 2320 P HA 0.068 nan 4.420 nan 0.000 0.270 2320 P C -1.282 175.842 177.300 -0.293 0.000 1.242 2320 P CA 0.162 63.185 63.100 -0.128 0.000 0.768 2320 P CB 0.502 32.123 31.700 -0.131 0.000 0.820 2321 H N 1.296 120.217 119.070 -0.249 0.000 2.589 2321 H HA 0.350 4.907 4.556 0.003 0.000 0.335 2321 H C 0.591 175.620 175.328 -0.498 0.000 1.019 2321 H CA -0.681 55.209 56.048 -0.263 0.000 1.213 2321 H CB 1.485 31.150 29.762 -0.162 0.000 1.472 2321 H HN 0.326 nan 8.280 nan 0.000 0.508 2322 R N 3.526 123.888 120.500 -0.230 0.000 2.679 2322 R HA 0.187 4.529 4.340 0.003 0.000 0.268 2322 R C -1.068 175.186 176.300 -0.077 0.000 1.044 2322 R CA 0.060 56.035 56.100 -0.208 0.000 1.105 2322 R CB 0.353 30.624 30.300 -0.049 0.000 0.989 2322 R HN 0.872 nan 8.270 nan 0.000 0.447 2323 Y N -0.994 119.374 120.300 0.113 0.000 2.573 2323 Y HA 0.545 5.096 4.550 0.002 0.000 0.328 2323 Y C -0.631 175.355 175.900 0.143 0.000 1.170 2323 Y CA -1.378 56.792 58.100 0.116 0.000 1.078 2323 Y CB 0.971 39.495 38.460 0.106 0.000 1.341 2323 Y HN 0.710 nan 8.280 nan 0.000 0.459 2324 G N 0.830 109.818 108.800 0.315 0.000 3.108 2324 G HA2 0.565 4.527 3.960 0.003 0.000 0.268 2324 G HA3 0.565 4.527 3.960 0.003 0.000 0.268 2324 G C -1.110 173.888 174.900 0.162 0.000 1.361 2324 G CA -1.193 44.045 45.100 0.231 0.000 1.047 2324 G HN 0.579 nan 8.290 nan 0.000 0.540 2325 V N 0.950 120.965 119.914 0.169 0.000 2.673 2325 V HA 0.386 4.508 4.120 0.003 0.000 0.303 2325 V C 1.234 177.395 176.094 0.110 0.000 1.046 2325 V CA -0.046 62.368 62.300 0.191 0.000 1.126 2325 V CB 0.655 32.611 31.823 0.222 0.000 0.934 2325 V HN 0.966 nan 8.190 nan 0.000 0.487 2326 A N 4.473 127.330 122.820 0.062 0.000 2.445 2326 A HA 0.477 4.798 4.320 0.003 0.000 0.242 2326 A C 0.265 177.873 177.584 0.041 0.000 1.075 2326 A CA -0.384 51.672 52.037 0.031 0.000 0.777 2326 A CB 0.077 19.070 19.000 -0.012 0.000 1.013 2326 A HN 1.025 nan 8.150 nan 0.000 0.493 2327 E N 0.926 121.146 120.200 0.034 0.000 2.222 2327 E HA 0.783 5.135 4.350 0.003 0.000 0.267 2327 E C 0.401 177.013 176.600 0.021 0.000 0.963 2327 E CA -0.195 56.223 56.400 0.031 0.000 0.837 2327 E CB 0.910 30.630 29.700 0.034 0.000 1.183 2327 E HN 1.901 nan 8.360 nan 0.000 0.403 2328 G N 0.380 109.190 108.800 0.017 0.000 2.396 2328 G HA2 -0.160 3.801 3.960 0.003 0.000 0.254 2328 G HA3 -0.160 3.801 3.960 0.003 0.000 0.254 2328 G C -0.897 174.007 174.900 0.007 0.000 1.248 2328 G CA -0.556 44.551 45.100 0.012 0.000 1.033 2328 G HN 0.749 nan 8.290 nan 0.000 0.502 2329 R N 0.486 120.989 120.500 0.005 0.000 2.486 2329 R HA 0.416 4.758 4.340 0.003 0.000 0.304 2329 R C 0.650 176.944 176.300 -0.010 0.000 0.913 2329 R CA 1.141 57.232 56.100 -0.015 0.000 1.124 2329 R CB -0.344 29.950 30.300 -0.010 0.000 0.891 2329 R HN 1.582 nan 8.270 nan 0.000 0.410 2330 A N 4.350 127.135 122.820 -0.058 0.000 2.337 2330 A HA 0.431 4.753 4.320 0.003 0.000 0.331 2330 A C -0.772 176.720 177.584 -0.154 0.000 1.137 2330 A CA -0.727 51.260 52.037 -0.082 0.000 0.807 2330 A CB 1.001 19.955 19.000 -0.076 0.000 1.250 2330 A HN 0.868 nan 8.150 nan 0.000 0.468 2331 E N 0.749 120.846 120.200 -0.171 0.000 2.299 2331 E HA 0.722 5.074 4.350 0.003 0.000 0.265 2331 E C -1.780 174.720 176.600 -0.166 0.000 0.911 2331 E CA -0.778 55.507 56.400 -0.193 0.000 0.789 2331 E CB 1.870 31.507 29.700 -0.105 0.000 1.246 2331 E HN 0.566 nan 8.360 nan 0.000 0.427 2332 L N 2.430 123.610 121.223 -0.071 0.000 2.441 2332 L HA 0.499 4.841 4.340 0.003 0.000 0.270 2332 L C -1.555 175.336 176.870 0.034 0.000 0.973 2332 L CA -0.494 54.325 54.840 -0.035 0.000 0.842 2332 L CB 1.412 43.483 42.059 0.020 0.000 1.239 2332 L HN 0.555 nan 8.230 nan 0.000 0.406 2333 N N 3.098 121.811 118.700 0.022 0.000 2.384 2333 N HA 0.842 5.584 4.740 0.003 0.000 0.301 2333 N C -0.480 175.078 175.510 0.080 0.000 1.133 2333 N CA -0.242 52.857 53.050 0.082 0.000 0.853 2333 N CB 2.384 40.932 38.487 0.100 0.000 1.241 2333 N HN 0.799 nan 8.380 nan 0.000 0.502 2334 G N -0.644 108.239 108.800 0.138 0.000 2.488 2334 G HA2 0.466 4.428 3.960 0.003 0.000 0.301 2334 G HA3 0.466 4.428 3.960 0.003 0.000 0.301 2334 G C -1.904 173.098 174.900 0.170 0.000 1.339 2334 G CA -0.366 44.800 45.100 0.111 0.000 0.803 2334 G HN 0.299 nan 8.290 nan 0.000 0.482 2335 V N 0.142 120.156 119.914 0.168 0.000 2.623 2335 V HA 0.741 4.862 4.120 0.003 0.000 0.304 2335 V C 0.291 176.425 176.094 0.067 0.000 1.054 2335 V CA -0.466 61.925 62.300 0.152 0.000 0.882 2335 V CB 1.252 33.191 31.823 0.193 0.000 1.002 2335 V HN 1.497 nan 8.190 nan 0.000 0.424 2336 A N 6.056 128.907 122.820 0.052 0.000 2.301 2336 A HA 0.929 5.251 4.320 0.003 0.000 0.298 2336 A C -0.710 176.834 177.584 -0.067 0.000 1.185 2336 A CA -0.272 51.775 52.037 0.017 0.000 0.830 2336 A CB 0.457 19.563 19.000 0.176 0.000 1.112 2336 A HN 0.809 nan 8.150 nan 0.000 0.508 2337 L N 1.471 122.609 121.223 -0.143 0.000 2.309 2337 L HA 0.558 4.900 4.340 0.003 0.000 0.261 2337 L C -0.510 176.164 176.870 -0.327 0.000 1.021 2337 L CA -0.640 54.008 54.840 -0.321 0.000 0.823 2337 L CB 2.240 43.997 42.059 -0.503 0.000 1.366 2337 L HN 0.826 nan 8.230 nan 0.000 0.423 2338 H N 0.777 119.625 119.070 -0.370 0.000 3.078 2338 H HA 0.429 4.987 4.556 0.003 0.000 0.319 2338 H C -1.406 173.820 175.328 -0.171 0.000 0.995 2338 H CA -0.613 55.297 56.048 -0.230 0.000 1.417 2338 H CB 1.268 30.994 29.762 -0.061 0.000 1.598 2338 H HN 0.225 nan 8.280 nan 0.000 0.515 2339 F N 1.618 121.687 119.950 0.199 0.000 2.399 2339 F HA 0.379 4.907 4.527 0.003 0.000 0.334 2339 F C 0.409 176.260 175.800 0.085 0.000 1.097 2339 F CA -0.785 57.292 58.000 0.128 0.000 1.076 2339 F CB 1.562 40.632 39.000 0.116 0.000 1.162 2339 F HN 0.482 nan 8.300 nan 0.000 0.495 2340 E N 0.338 120.699 120.200 0.268 0.000 2.343 2340 E HA 0.455 4.807 4.350 0.003 0.000 0.288 2340 E C 0.007 176.672 176.600 0.109 0.000 0.907 2340 E CA -0.222 56.267 56.400 0.148 0.000 0.792 2340 E CB 1.474 31.236 29.700 0.104 0.000 1.275 2340 E HN 0.852 nan 8.360 nan 0.000 0.402 2341 G N 2.791 111.636 108.800 0.076 0.000 2.221 2341 G HA2 -0.209 3.753 3.960 0.003 0.000 0.265 2341 G HA3 -0.209 3.753 3.960 0.003 0.000 0.265 2341 G C 0.900 175.820 174.900 0.034 0.000 1.041 2341 G CA 0.607 45.734 45.100 0.046 0.000 0.807 2341 G HN 1.582 nan 8.290 nan 0.000 0.502 2342 G N -1.641 107.178 108.800 0.032 0.000 2.168 2342 G HA2 -0.296 3.666 3.960 0.003 0.000 0.263 2342 G HA3 -0.296 3.666 3.960 0.003 0.000 0.263 2342 G C 0.465 175.350 174.900 -0.026 0.000 0.977 2342 G CA 1.645 46.731 45.100 -0.023 0.000 0.659 2342 G HN 1.045 nan 8.290 nan 0.000 0.533 2343 K N -0.551 119.882 120.400 0.056 0.000 2.279 2343 K HA 0.829 5.151 4.320 0.003 0.000 0.238 2343 K C -0.156 176.588 176.600 0.240 0.000 1.084 2343 K CA -0.362 55.978 56.287 0.088 0.000 0.885 2343 K CB 1.725 34.269 32.500 0.073 0.000 1.319 2343 K HN 0.539 nan 8.250 nan 0.000 0.494 2344 A N 0.597 123.560 122.820 0.239 0.000 2.303 2344 A HA 0.358 4.680 4.320 0.003 0.000 0.320 2344 A C 0.371 178.065 177.584 0.183 0.000 1.192 2344 A CA -0.473 51.752 52.037 0.314 0.000 0.821 2344 A CB 0.518 19.700 19.000 0.304 0.000 1.188 2344 A HN 0.798 nan 8.150 nan 0.000 0.492 2345 T N -1.347 113.310 114.554 0.171 0.000 2.985 2345 T HA 0.590 4.942 4.350 0.003 0.000 0.254 2345 T C 0.384 175.151 174.700 0.113 0.000 1.021 2345 T CA 0.725 62.902 62.100 0.128 0.000 0.957 2345 T CB 0.070 69.013 68.868 0.124 0.000 1.047 2345 T HN 1.841 nan 8.240 nan 0.000 0.511 2346 A N 0.196 123.076 122.820 0.099 0.000 2.589 2346 A HA 0.893 5.215 4.320 0.003 0.000 0.296 2346 A C -1.268 176.287 177.584 -0.048 0.000 1.062 2346 A CA -0.521 51.532 52.037 0.025 0.000 0.686 2346 A CB 1.240 20.252 19.000 0.021 0.000 1.282 2346 A HN 1.254 nan 8.150 nan 0.000 0.404 2347 A N 1.506 124.298 122.820 -0.047 0.000 2.555 2347 A HA 0.785 5.107 4.320 0.003 0.000 0.297 2347 A C -1.090 176.485 177.584 -0.015 0.000 1.060 2347 A CA 0.234 52.249 52.037 -0.036 0.000 0.710 2347 A CB 1.076 20.087 19.000 0.020 0.000 1.282 2347 A HN 1.774 nan 8.150 nan 0.000 0.399 2348 E N 1.772 121.970 120.200 -0.003 0.000 2.380 2348 E HA 0.500 4.851 4.350 0.003 0.000 0.281 2348 E C -1.016 175.621 176.600 0.063 0.000 0.999 2348 E CA -1.062 55.353 56.400 0.025 0.000 0.800 2348 E CB 1.179 30.890 29.700 0.018 0.000 1.228 2348 E HN 0.639 nan 8.360 nan 0.000 0.436 2349 R N 0.794 121.333 120.500 0.064 0.000 2.738 2349 R HA 0.240 4.582 4.340 0.003 0.000 0.268 2349 R C -0.972 175.409 176.300 0.134 0.000 1.062 2349 R CA -0.129 56.025 56.100 0.090 0.000 1.158 2349 R CB 0.378 30.709 30.300 0.052 0.000 1.046 2349 R HN 0.592 nan 8.270 nan 0.000 0.493 2350 Y N 1.271 121.593 120.300 0.037 0.000 2.331 2350 Y HA 0.358 4.910 4.550 0.003 0.000 0.326 2350 Y C -1.022 174.901 175.900 0.037 0.000 1.020 2350 Y CA -0.791 57.338 58.100 0.048 0.000 1.136 2350 Y CB 1.140 39.634 38.460 0.056 0.000 1.157 2350 Y HN 0.497 nan 8.280 nan 0.000 0.444 2351 R N 6.029 126.267 120.500 -0.436 0.000 2.744 2351 R HA 0.666 5.007 4.340 0.003 0.000 0.279 2351 R C -2.392 173.724 176.300 -0.308 0.000 0.977 2351 R CA -0.834 55.127 56.100 -0.232 0.000 0.906 2351 R CB 1.726 31.950 30.300 -0.126 0.000 1.197 2351 R HN 0.690 nan 8.270 nan 0.000 0.463 2352 F N 5.449 125.206 119.950 -0.321 0.000 2.588 2352 F HA 0.491 5.019 4.527 0.002 0.000 0.318 2352 F C -1.703 173.931 175.800 -0.277 0.000 1.155 2352 F CA -0.871 56.934 58.000 -0.326 0.000 0.967 2352 F CB 1.306 40.043 39.000 -0.438 0.000 1.236 2352 F HN 0.247 nan 8.300 nan 0.000 0.455 2353 I N 5.865 125.766 120.570 -1.115 0.000 2.355 2353 I HA 0.214 4.386 4.170 0.003 0.000 0.288 2353 I C -0.199 175.145 176.117 -1.289 0.000 0.999 2353 I CA -0.522 60.173 61.300 -1.009 0.000 1.163 2353 I CB 1.395 38.956 38.000 -0.731 0.000 1.316 2353 I HN 0.706 nan 8.210 nan 0.000 0.454 2354 E N 5.426 124.994 120.200 -1.052 0.000 2.373 2354 E HA 0.132 4.484 4.350 0.003 0.000 0.267 2354 E C -0.559 175.856 176.600 -0.309 0.000 1.032 2354 E CA -0.624 55.441 56.400 -0.558 0.000 0.889 2354 E CB 1.044 30.698 29.700 -0.076 0.000 0.984 2354 E HN 0.398 nan 8.360 nan 0.000 0.425 2355 D N 0.000 120.299 120.400 -0.168 0.000 6.856 2355 D HA 0.000 4.642 4.640 0.003 0.000 0.175 2355 D CA 0.000 53.935 54.000 -0.107 0.000 0.868 2355 D CB 0.000 40.774 40.800 -0.043 0.000 0.688 2355 D HN 0.000 nan 8.370 nan 0.000 0.683