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 1v7c_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRPPLIERYR NLLPVSEKTP VISLLEGSTP LIPLKGPEEA RKKGIRLYAK DATA SEQUENCE YEGLNPTGSF KDRGMTLAVS KAVEGGAQAV ACASTGNTAA SAAAYAARAG DATA SEQUENCE ILAIVVLPAG YVALGKVAQS LVHGARIVQV EGNFDDALRL TQKLTEAFPV DATA SEQUENCE ALVNSVNPHR LEGQKTLAFE VVDELGDAPH YHALPVGNAG NITAHWMGYK DATA SEQUENCE AYHALGKAKR LPRMLGFQAA GAAPLVLGRP VERPETLATA IRIGNPASWQ DATA SEQUENCE GAVRAKEESG GVIEAVTDEE ILFAYRYLAR EEGIFCEPAS AAAMAGVFKL DATA SEQUENCE LREGRLEPES TVVLTLTGHG LKDPATAERV AELPPPVPAR LEAVAAAAGL DATA SEQUENCE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.016 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.606 32.600 0.011 0.000 1.302 2 R N 6.044 126.551 120.500 0.013 0.000 2.508 2 R HA 0.692 5.032 4.340 0.000 0.000 0.283 2 R C -2.910 173.396 176.300 0.010 0.000 1.120 2 R CA -0.771 55.338 56.100 0.015 0.000 0.958 2 R CB 2.440 32.754 30.300 0.024 0.000 1.215 2 R HN 0.472 nan 8.270 nan 0.000 0.427 3 P HA 0.364 nan 4.420 nan 0.000 0.278 3 P C -2.742 174.562 177.300 0.008 0.000 1.258 3 P CA -1.830 61.267 63.100 -0.005 0.000 0.811 3 P CB 0.709 32.393 31.700 -0.027 0.000 1.063 4 P HA 0.016 nan 4.420 nan 0.000 0.268 4 P C 1.091 178.412 177.300 0.034 0.000 1.205 4 P CA -0.157 62.963 63.100 0.034 0.000 0.771 4 P CB 0.245 31.965 31.700 0.032 0.000 0.858 5 L N 4.430 125.691 121.223 0.063 0.000 2.079 5 L HA -0.167 4.173 4.340 0.000 0.000 0.210 5 L C 1.813 178.746 176.870 0.105 0.000 1.081 5 L CA 1.789 56.684 54.840 0.093 0.000 0.752 5 L CB -0.933 41.191 42.059 0.109 0.000 0.896 5 L HN 0.401 nan 8.230 nan 0.000 0.433 6 I N -0.805 119.809 120.570 0.073 0.000 2.286 6 I HA -0.216 3.954 4.170 0.000 0.000 0.248 6 I C 2.298 178.448 176.117 0.055 0.000 1.115 6 I CA 0.838 62.179 61.300 0.069 0.000 1.392 6 I CB -0.340 37.682 38.000 0.037 0.000 1.065 6 I HN 0.289 nan 8.210 nan 0.000 0.418 7 E N 0.534 120.748 120.200 0.023 0.000 2.072 7 E HA -0.206 4.144 4.350 0.000 0.000 0.190 7 E C 2.150 178.724 176.600 -0.044 0.000 0.982 7 E CA 0.811 57.209 56.400 -0.003 0.000 0.803 7 E CB -0.356 29.337 29.700 -0.011 0.000 0.755 7 E HN 0.428 nan 8.360 nan 0.000 0.453 8 R N -0.181 120.257 120.500 -0.104 0.000 2.105 8 R HA -0.140 4.200 4.340 0.000 0.000 0.239 8 R C 0.783 176.828 176.300 -0.423 0.000 1.135 8 R CA 1.282 57.199 56.100 -0.305 0.000 0.967 8 R CB -0.008 30.025 30.300 -0.445 0.000 0.861 8 R HN 0.205 nan 8.270 nan 0.000 0.442 9 Y N -0.650 119.693 120.300 0.071 0.000 2.716 9 Y HA 0.262 4.812 4.550 -0.000 0.000 0.260 9 Y C 1.490 177.434 175.900 0.073 0.000 1.141 9 Y CA -0.658 57.500 58.100 0.097 0.000 1.168 9 Y CB 0.404 38.976 38.460 0.186 0.000 1.189 9 Y HN 0.013 nan 8.280 nan 0.000 0.549 10 R N 1.098 121.678 120.500 0.133 0.000 2.133 10 R HA -0.237 4.103 4.340 0.000 0.000 0.245 10 R C 1.319 177.674 176.300 0.092 0.000 1.137 10 R CA 2.275 58.430 56.100 0.091 0.000 0.947 10 R CB -0.104 30.222 30.300 0.044 0.000 0.865 10 R HN 0.327 nan 8.270 nan 0.000 0.437 11 N N 0.292 119.042 118.700 0.084 0.000 2.585 11 N HA -0.124 4.616 4.740 0.000 0.000 0.188 11 N C 1.036 176.593 175.510 0.079 0.000 1.102 11 N CA 0.933 54.022 53.050 0.064 0.000 0.920 11 N CB 0.116 38.627 38.487 0.040 0.000 0.963 11 N HN 0.368 nan 8.380 nan 0.000 0.447 12 L N -0.238 121.063 121.223 0.131 0.000 2.766 12 L HA 0.303 4.643 4.340 0.000 0.000 0.242 12 L C 0.051 177.013 176.870 0.153 0.000 1.136 12 L CA 0.067 54.995 54.840 0.146 0.000 0.933 12 L CB 0.436 42.613 42.059 0.197 0.000 1.241 12 L HN -0.091 nan 8.230 nan 0.000 0.522 13 L N 0.776 122.076 121.223 0.129 0.000 2.330 13 L HA 0.430 4.770 4.340 0.000 0.000 0.271 13 L C -1.970 174.942 176.870 0.070 0.000 1.013 13 L CA -1.756 53.143 54.840 0.099 0.000 0.816 13 L CB 1.384 43.500 42.059 0.095 0.000 1.287 13 L HN -0.193 nan 8.230 nan 0.000 0.435 14 P HA 0.087 nan 4.420 nan 0.000 0.241 14 P C -0.800 176.514 177.300 0.022 0.000 1.760 14 P CA 0.138 63.279 63.100 0.068 0.000 1.081 14 P CB -0.107 31.676 31.700 0.138 0.000 1.975 15 V N -0.704 119.221 119.914 0.018 0.000 3.181 15 V HA 0.901 5.021 4.120 0.000 0.000 0.308 15 V C -0.358 175.742 176.094 0.010 0.000 1.214 15 V CA -1.003 61.296 62.300 -0.002 0.000 1.053 15 V CB 1.898 33.717 31.823 -0.008 0.000 1.069 15 V HN 0.385 nan 8.190 nan 0.000 0.441 16 S N -0.665 115.037 115.700 0.004 0.000 2.732 16 S HA 0.572 5.042 4.470 0.000 0.000 0.293 16 S C 0.354 174.957 174.600 0.005 0.000 1.159 16 S CA -0.443 57.761 58.200 0.008 0.000 0.847 16 S CB 1.819 65.024 63.200 0.008 0.000 1.169 16 S HN 0.771 nan 8.310 nan 0.000 0.501 17 E N 1.088 121.291 120.200 0.005 0.000 2.331 17 E HA -0.114 4.237 4.350 0.000 0.000 0.199 17 E C 1.597 178.199 176.600 0.003 0.000 1.008 17 E CA 0.968 57.371 56.400 0.004 0.000 0.843 17 E CB -0.123 29.579 29.700 0.004 0.000 0.761 17 E HN 0.707 nan 8.360 nan 0.000 0.507 18 K N -0.207 120.194 120.400 0.002 0.000 2.323 18 K HA 0.058 4.378 4.320 0.000 0.000 0.197 18 K C 0.578 177.177 176.600 -0.002 0.000 1.043 18 K CA 0.184 56.472 56.287 0.001 0.000 0.997 18 K CB -0.361 32.140 32.500 0.002 0.000 0.807 18 K HN -0.202 nan 8.250 nan 0.000 0.497 19 T N 6.072 120.623 114.554 -0.006 0.000 2.822 19 T HA 0.048 4.398 4.350 0.000 0.000 0.288 19 T C -2.342 172.353 174.700 -0.009 0.000 0.991 19 T CA -0.666 61.426 62.100 -0.014 0.000 1.176 19 T CB 0.495 69.349 68.868 -0.023 0.000 0.951 19 T HN 0.239 nan 8.240 nan 0.000 0.526 20 P HA 0.183 nan 4.420 nan 0.000 0.276 20 P C -0.581 176.720 177.300 0.001 0.000 1.253 20 P CA -0.354 62.745 63.100 -0.001 0.000 0.766 20 P CB 0.507 32.207 31.700 0.001 0.000 0.845 21 V N 6.090 126.009 119.914 0.009 0.000 2.387 21 V HA 0.077 4.197 4.120 0.000 0.000 0.260 21 V C 0.817 176.932 176.094 0.036 0.000 1.054 21 V CA -0.103 62.208 62.300 0.018 0.000 0.967 21 V CB 0.062 31.896 31.823 0.019 0.000 1.036 21 V HN 0.402 nan 8.190 nan 0.000 0.481 22 I N 4.834 125.437 120.570 0.055 0.000 2.313 22 I HA 0.342 4.512 4.170 0.000 0.000 0.286 22 I C 0.405 176.634 176.117 0.186 0.000 1.091 22 I CA 0.606 61.966 61.300 0.100 0.000 1.216 22 I CB 0.660 38.731 38.000 0.119 0.000 1.434 22 I HN 0.582 nan 8.210 nan 0.000 0.487 23 S N 5.926 121.706 115.700 0.134 0.000 2.542 23 S HA 0.703 5.173 4.470 0.000 0.000 0.293 23 S C 0.153 174.782 174.600 0.048 0.000 1.089 23 S CA -0.493 57.808 58.200 0.169 0.000 0.961 23 S CB 1.730 64.992 63.200 0.103 0.000 1.062 23 S HN 0.546 nan 8.310 nan 0.000 0.483 24 L N 3.787 125.024 121.223 0.023 0.000 3.014 24 L HA 0.483 4.823 4.340 0.000 0.000 0.263 24 L C -0.491 176.372 176.870 -0.012 0.000 1.207 24 L CA -0.106 54.673 54.840 -0.101 0.000 1.017 24 L CB -0.031 41.834 42.059 -0.323 0.000 1.360 24 L HN 0.752 nan 8.230 nan 0.000 0.560 25 L N 1.574 122.822 121.223 0.042 0.000 3.453 25 L HA -0.172 4.168 4.340 0.000 0.000 0.650 25 L C 0.230 177.137 176.870 0.062 0.000 1.276 25 L CA 0.115 54.982 54.840 0.045 0.000 1.063 25 L CB -1.311 40.760 42.059 0.020 0.000 1.664 25 L HN 0.431 nan 8.230 nan 0.000 0.878 26 E N 1.102 121.364 120.200 0.102 0.000 2.254 26 E HA 0.794 5.144 4.350 0.000 0.000 0.261 26 E C 0.856 177.511 176.600 0.091 0.000 1.051 26 E CA 0.227 56.694 56.400 0.111 0.000 0.902 26 E CB 1.626 31.430 29.700 0.173 0.000 1.168 26 E HN 0.495 nan 8.360 nan 0.000 0.423 27 G N 0.385 109.239 108.800 0.090 0.000 2.681 27 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 27 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 27 G C -0.094 174.858 174.900 0.088 0.000 1.353 27 G CA 0.176 45.333 45.100 0.096 0.000 0.872 27 G HN 1.278 nan 8.290 nan 0.000 0.557 28 S N -0.671 115.089 115.700 0.101 0.000 3.559 28 S HA -0.163 4.307 4.470 0.000 0.000 0.369 28 S C 0.878 175.528 174.600 0.084 0.000 0.987 28 S CA 2.523 60.775 58.200 0.086 0.000 1.187 28 S CB -2.026 61.209 63.200 0.057 0.000 0.914 28 S HN 2.308 nan 8.310 nan 0.000 0.480 29 T N 0.278 114.890 114.554 0.096 0.000 2.913 29 T HA 0.583 4.933 4.350 0.000 0.000 0.287 29 T C -2.048 172.728 174.700 0.126 0.000 1.008 29 T CA -1.844 60.318 62.100 0.104 0.000 1.067 29 T CB 1.109 70.042 68.868 0.109 0.000 0.996 29 T HN 0.111 nan 8.240 nan 0.000 0.513 30 P HA 0.261 nan 4.420 nan 0.000 0.275 30 P C -0.995 176.411 177.300 0.177 0.000 1.228 30 P CA -0.672 62.522 63.100 0.157 0.000 0.786 30 P CB 0.653 32.454 31.700 0.168 0.000 0.927 31 L N 4.154 125.470 121.223 0.156 0.000 2.313 31 L HA 0.387 4.727 4.340 0.000 0.000 0.273 31 L C -0.329 176.654 176.870 0.190 0.000 1.028 31 L CA -0.550 54.392 54.840 0.170 0.000 0.871 31 L CB -0.324 41.819 42.059 0.140 0.000 1.242 31 L HN 0.210 nan 8.230 nan 0.000 0.434 32 I N 6.748 127.408 120.570 0.151 0.000 2.396 32 I HA 0.264 4.434 4.170 0.000 0.000 0.289 32 I C -1.942 174.215 176.117 0.068 0.000 1.056 32 I CA -1.656 59.697 61.300 0.089 0.000 1.365 32 I CB 0.755 38.754 38.000 -0.001 0.000 1.407 32 I HN 0.463 nan 8.210 nan 0.000 0.509 33 P HA 0.228 nan 4.420 nan 0.000 0.282 33 P C -0.585 176.592 177.300 -0.206 0.000 1.274 33 P CA -0.168 62.796 63.100 -0.227 0.000 0.770 33 P CB 0.524 32.132 31.700 -0.153 0.000 0.867 34 L N 3.787 124.858 121.223 -0.253 0.000 2.418 34 L HA 0.249 4.589 4.340 0.000 0.000 0.265 34 L C 1.701 178.490 176.870 -0.135 0.000 1.143 34 L CA -0.374 54.374 54.840 -0.153 0.000 0.809 34 L CB 0.709 42.703 42.059 -0.108 0.000 1.124 34 L HN 0.401 nan 8.230 nan 0.000 0.456 35 K N 1.150 121.503 120.400 -0.079 0.000 2.103 35 K HA 0.024 4.344 4.320 0.000 0.000 0.204 35 K C 0.906 177.493 176.600 -0.023 0.000 1.052 35 K CA 1.085 57.341 56.287 -0.051 0.000 0.945 35 K CB 0.104 32.583 32.500 -0.034 0.000 0.722 35 K HN 0.867 nan 8.250 nan 0.000 0.443 36 G N 0.536 109.352 108.800 0.028 0.000 3.187 36 G HA2 0.254 4.214 3.960 0.000 0.000 0.175 36 G HA3 0.254 4.214 3.960 0.000 0.000 0.175 36 G C -2.781 172.121 174.900 0.004 0.000 1.112 36 G CA -0.653 44.472 45.100 0.042 0.000 0.821 36 G HN -0.122 nan 8.290 nan 0.000 0.636 37 P HA 0.228 nan 4.420 nan 0.000 0.275 37 P C 0.139 177.443 177.300 0.008 0.000 1.266 37 P CA -0.064 63.035 63.100 -0.003 0.000 0.793 37 P CB 1.784 33.357 31.700 -0.211 0.000 1.074 38 E N 0.638 120.869 120.200 0.051 0.000 2.097 38 E HA -0.249 4.101 4.350 0.000 0.000 0.196 38 E C 1.657 178.265 176.600 0.014 0.000 1.000 38 E CA 1.914 58.335 56.400 0.034 0.000 0.804 38 E CB -0.704 29.024 29.700 0.047 0.000 0.740 38 E HN 0.367 nan 8.360 nan 0.000 0.454 39 E N -0.090 120.124 120.200 0.023 0.000 2.118 39 E HA -0.173 4.177 4.350 0.000 0.000 0.195 39 E C 1.866 178.450 176.600 -0.026 0.000 0.992 39 E CA 1.560 57.965 56.400 0.010 0.000 0.804 39 E CB -0.412 29.317 29.700 0.049 0.000 0.741 39 E HN 0.422 nan 8.360 nan 0.000 0.458 40 A N 0.475 123.263 122.820 -0.054 0.000 1.874 40 A HA -0.076 4.244 4.320 0.000 0.000 0.214 40 A C 2.132 179.687 177.584 -0.047 0.000 1.189 40 A CA 1.357 53.350 52.037 -0.074 0.000 0.615 40 A CB -0.382 18.549 19.000 -0.116 0.000 0.830 40 A HN 0.107 nan 8.150 nan 0.000 0.443 41 R N -0.013 120.466 120.500 -0.034 0.000 2.105 41 R HA -0.144 4.196 4.340 0.000 0.000 0.239 41 R C 1.983 178.274 176.300 -0.016 0.000 1.135 41 R CA 1.795 57.882 56.100 -0.023 0.000 0.967 41 R CB -0.222 30.070 30.300 -0.013 0.000 0.861 41 R HN 0.487 nan 8.270 nan 0.000 0.442 42 K N -0.109 120.283 120.400 -0.013 0.000 2.152 42 K HA -0.109 4.211 4.320 0.000 0.000 0.206 42 K C 1.160 177.752 176.600 -0.013 0.000 1.048 42 K CA 1.285 57.566 56.287 -0.010 0.000 0.933 42 K CB 0.200 32.695 32.500 -0.008 0.000 0.721 42 K HN 0.010 nan 8.250 nan 0.000 0.447 43 K N -0.797 119.592 120.400 -0.019 0.000 2.397 43 K HA 0.140 4.460 4.320 0.000 0.000 0.202 43 K C 0.616 177.204 176.600 -0.020 0.000 1.022 43 K CA 0.602 56.878 56.287 -0.020 0.000 1.141 43 K CB 1.225 33.709 32.500 -0.027 0.000 0.857 43 K HN 0.315 nan 8.250 nan 0.000 0.514 44 G N 2.055 110.845 108.800 -0.017 0.000 2.153 44 G HA2 -0.271 3.689 3.960 0.000 0.000 0.252 44 G HA3 -0.271 3.689 3.960 0.000 0.000 0.252 44 G C 0.132 175.023 174.900 -0.015 0.000 0.994 44 G CA -0.016 45.076 45.100 -0.013 0.000 0.698 44 G HN 0.332 nan 8.290 nan 0.000 0.521 45 I N 0.967 121.522 120.570 -0.026 0.000 2.352 45 I HA 0.334 4.504 4.170 0.000 0.000 0.290 45 I C 1.002 177.104 176.117 -0.026 0.000 1.036 45 I CA -0.403 60.882 61.300 -0.025 0.000 1.336 45 I CB 0.719 38.689 38.000 -0.049 0.000 1.407 45 I HN 0.019 nan 8.210 nan 0.000 0.497 46 R N 5.826 126.332 120.500 0.009 0.000 2.460 46 R HA 0.649 4.989 4.340 0.000 0.000 0.303 46 R C -1.214 175.071 176.300 -0.026 0.000 0.968 46 R CA -1.030 55.047 56.100 -0.038 0.000 0.889 46 R CB 1.744 32.041 30.300 -0.005 0.000 1.123 46 R HN 0.344 nan 8.270 nan 0.000 0.455 47 L N 2.898 124.024 121.223 -0.162 0.000 2.334 47 L HA 0.481 4.821 4.340 0.000 0.000 0.273 47 L C -1.082 175.632 176.870 -0.260 0.000 1.013 47 L CA -0.518 54.264 54.840 -0.098 0.000 0.816 47 L CB 1.161 43.160 42.059 -0.101 0.000 1.278 47 L HN 0.454 nan 8.230 nan 0.000 0.431 48 Y N 0.746 121.039 120.300 -0.012 0.000 2.442 48 Y HA 0.717 5.267 4.550 0.000 0.000 0.344 48 Y C -0.080 175.811 175.900 -0.015 0.000 0.976 48 Y CA -1.061 57.037 58.100 -0.005 0.000 1.040 48 Y CB 2.109 40.577 38.460 0.014 0.000 1.228 48 Y HN 0.573 nan 8.280 nan 0.000 0.451 49 A N 3.499 126.395 122.820 0.127 0.000 2.256 49 A HA 0.518 4.838 4.320 0.000 0.000 0.317 49 A C -0.555 177.110 177.584 0.136 0.000 1.318 49 A CA -0.915 51.171 52.037 0.081 0.000 0.894 49 A CB 0.431 19.421 19.000 -0.017 0.000 1.165 49 A HN 0.448 nan 8.150 nan 0.000 0.525 50 K N 2.651 123.147 120.400 0.160 0.000 2.220 50 K HA 0.074 4.394 4.320 0.000 0.000 0.283 50 K C -0.989 175.770 176.600 0.266 0.000 1.098 50 K CA -0.190 56.215 56.287 0.197 0.000 0.928 50 K CB -0.135 32.483 32.500 0.197 0.000 1.214 50 K HN 0.636 nan 8.250 nan 0.000 0.442 51 Y N 4.289 124.647 120.300 0.097 0.000 2.532 51 Y HA 0.012 4.562 4.550 0.000 0.000 0.337 51 Y C 0.892 176.857 175.900 0.109 0.000 1.274 51 Y CA -0.379 57.773 58.100 0.087 0.000 1.817 51 Y CB -0.051 38.450 38.460 0.068 0.000 1.769 51 Y HN 0.502 nan 8.280 nan 0.000 0.447 52 E N 1.698 122.026 120.200 0.214 0.000 2.472 52 E HA -0.083 4.267 4.350 0.000 0.000 0.200 52 E C 2.015 178.621 176.600 0.010 0.000 1.046 52 E CA 0.683 57.165 56.400 0.137 0.000 0.871 52 E CB -0.039 29.816 29.700 0.258 0.000 0.806 52 E HN 0.857 nan 8.360 nan 0.000 0.533 53 G N 0.443 109.126 108.800 -0.195 0.000 2.598 53 G HA2 -0.129 3.831 3.960 0.000 0.000 0.215 53 G HA3 -0.129 3.831 3.960 0.000 0.000 0.215 53 G C 1.299 176.046 174.900 -0.255 0.000 1.131 53 G CA -0.044 44.904 45.100 -0.252 0.000 0.785 53 G HN 0.214 nan 8.290 nan 0.000 0.539 54 L N 0.608 121.629 121.223 -0.336 0.000 2.685 54 L HA 0.214 4.554 4.340 0.000 0.000 0.233 54 L C 0.494 177.337 176.870 -0.046 0.000 1.173 54 L CA -0.422 54.320 54.840 -0.164 0.000 0.961 54 L CB -0.310 41.665 42.059 -0.141 0.000 1.217 54 L HN 0.071 nan 8.230 nan 0.000 0.478 55 N N 0.866 119.554 118.700 -0.020 0.000 2.467 55 N HA 0.116 4.856 4.740 0.000 0.000 0.262 55 N C -1.528 173.989 175.510 0.012 0.000 1.234 55 N CA -1.160 51.905 53.050 0.025 0.000 0.952 55 N CB 1.290 39.809 38.487 0.053 0.000 1.158 55 N HN -0.215 nan 8.380 nan 0.000 0.463 56 P HA -0.186 nan 4.420 nan 0.000 0.219 56 P C 0.993 178.287 177.300 -0.010 0.000 1.158 56 P CA 2.158 65.253 63.100 -0.008 0.000 0.895 56 P CB 0.046 31.726 31.700 -0.034 0.000 0.792 57 T N -6.126 108.433 114.554 0.007 0.000 3.145 57 T HA 0.439 4.789 4.350 0.000 0.000 0.255 57 T C 1.291 175.994 174.700 0.004 0.000 1.039 57 T CA 0.279 62.387 62.100 0.014 0.000 0.928 57 T CB -0.549 68.329 68.868 0.016 0.000 1.029 57 T HN 0.285 nan 8.240 nan 0.000 0.554 58 G N 0.932 109.729 108.800 -0.006 0.000 2.157 58 G HA2 -0.164 3.796 3.960 0.000 0.000 0.248 58 G HA3 -0.164 3.796 3.960 0.000 0.000 0.248 58 G C 0.146 175.053 174.900 0.013 0.000 0.979 58 G CA 0.291 45.389 45.100 -0.002 0.000 0.650 58 G HN 1.630 nan 8.290 nan 0.000 0.529 59 S N -1.188 114.510 115.700 -0.004 0.000 2.596 59 S HA 0.671 5.141 4.470 0.000 0.000 0.270 59 S C 0.674 175.262 174.600 -0.021 0.000 1.155 59 S CA -0.020 58.171 58.200 -0.014 0.000 0.827 59 S CB 0.745 63.870 63.200 -0.125 0.000 1.130 59 S HN 1.363 nan 8.310 nan 0.000 0.467 60 F N 0.715 120.685 119.950 0.033 0.000 2.546 60 F HA 0.313 4.840 4.527 0.000 0.000 0.298 60 F C 1.761 177.567 175.800 0.011 0.000 1.120 60 F CA 0.277 58.295 58.000 0.029 0.000 1.456 60 F CB -0.479 38.551 39.000 0.051 0.000 1.088 60 F HN 0.371 nan 8.300 nan 0.000 0.572 61 K N 1.207 121.200 120.400 -0.678 0.000 2.152 61 K HA -0.180 4.140 4.320 0.000 0.000 0.206 61 K C 1.372 177.854 176.600 -0.198 0.000 1.048 61 K CA 1.473 57.471 56.287 -0.481 0.000 0.933 61 K CB -0.838 31.409 32.500 -0.422 0.000 0.721 61 K HN 0.373 nan 8.250 nan 0.000 0.447 62 D N 0.603 120.947 120.400 -0.093 0.000 2.190 62 D HA -0.153 4.487 4.640 0.000 0.000 0.200 62 D C 1.993 178.217 176.300 -0.127 0.000 0.992 62 D CA 0.874 54.851 54.000 -0.039 0.000 0.854 62 D CB -0.124 40.782 40.800 0.177 0.000 0.936 62 D HN 0.233 nan 8.370 nan 0.000 0.462 63 R N 0.036 120.515 120.500 -0.035 0.000 2.083 63 R HA -0.065 4.275 4.340 0.000 0.000 0.237 63 R C 2.399 178.651 176.300 -0.079 0.000 1.137 63 R CA 1.463 57.548 56.100 -0.024 0.000 0.951 63 R CB -0.488 29.831 30.300 0.031 0.000 0.851 63 R HN 0.213 nan 8.270 nan 0.000 0.434 64 G N 0.117 108.871 108.800 -0.077 0.000 2.426 64 G HA2 -0.212 3.748 3.960 0.000 0.000 0.214 64 G HA3 -0.212 3.748 3.960 0.000 0.000 0.214 64 G C 1.302 176.104 174.900 -0.163 0.000 1.156 64 G CA 0.149 45.202 45.100 -0.079 0.000 0.802 64 G HN 0.101 nan 8.290 nan 0.000 0.534 65 M N 1.031 120.463 119.600 -0.281 0.000 2.117 65 M HA 0.009 4.489 4.480 0.000 0.000 0.262 65 M C 2.563 178.468 176.300 -0.660 0.000 1.065 65 M CA 1.890 56.928 55.300 -0.436 0.000 1.114 65 M CB -0.818 31.475 32.600 -0.511 0.000 1.361 65 M HN 0.211 nan 8.290 nan 0.000 0.408 66 T N -0.400 113.652 114.554 -0.837 0.000 2.684 66 T HA -0.162 4.188 4.350 0.000 0.000 0.267 66 T C 1.686 176.241 174.700 -0.242 0.000 1.036 66 T CA 1.850 63.598 62.100 -0.587 0.000 1.148 66 T CB -0.340 68.386 68.868 -0.237 0.000 0.863 66 T HN 0.375 nan 8.240 nan 0.000 0.436 67 L N 1.136 122.247 121.223 -0.187 0.000 2.044 67 L HA 0.284 4.624 4.340 0.000 0.000 0.205 67 L C 2.723 179.503 176.870 -0.150 0.000 1.075 67 L CA 2.078 56.838 54.840 -0.133 0.000 0.747 67 L CB -1.239 40.769 42.059 -0.084 0.000 0.903 67 L HN 0.294 nan 8.230 nan 0.000 0.435 68 A N -1.020 121.737 122.820 -0.105 0.000 1.908 68 A HA -0.170 4.150 4.320 0.000 0.000 0.218 68 A C 2.240 179.792 177.584 -0.053 0.000 1.181 68 A CA 2.244 54.261 52.037 -0.034 0.000 0.627 68 A CB -1.121 17.871 19.000 -0.013 0.000 0.818 68 A HN 0.319 nan 8.150 nan 0.000 0.445 69 V N -0.435 119.429 119.914 -0.084 0.000 2.453 69 V HA -0.159 3.961 4.120 0.000 0.000 0.247 69 V C 2.740 178.817 176.094 -0.028 0.000 1.048 69 V CA 2.086 64.366 62.300 -0.033 0.000 1.049 69 V CB -0.649 31.177 31.823 0.004 0.000 0.672 69 V HN 0.547 nan 8.190 nan 0.000 0.457 70 S N -0.264 115.404 115.700 -0.053 0.000 2.368 70 S HA -0.175 4.295 4.470 0.000 0.000 0.225 70 S C 2.075 176.630 174.600 -0.075 0.000 1.030 70 S CA 1.195 59.368 58.200 -0.046 0.000 0.999 70 S CB -0.237 62.932 63.200 -0.051 0.000 0.844 70 S HN 0.448 nan 8.310 nan 0.000 0.459 71 K N 1.800 122.113 120.400 -0.146 0.000 2.057 71 K HA 0.126 4.446 4.320 0.000 0.000 0.206 71 K C 2.361 178.924 176.600 -0.062 0.000 1.050 71 K CA 1.194 57.369 56.287 -0.187 0.000 0.935 71 K CB -0.915 31.273 32.500 -0.521 0.000 0.715 71 K HN 0.347 nan 8.250 nan 0.000 0.439 72 A N 1.246 124.052 122.820 -0.024 0.000 1.865 72 A HA -0.147 4.173 4.320 0.000 0.000 0.217 72 A C 2.534 180.125 177.584 0.012 0.000 1.191 72 A CA 1.935 53.983 52.037 0.018 0.000 0.623 72 A CB -0.841 18.175 19.000 0.027 0.000 0.826 72 A HN 0.063 nan 8.150 nan 0.000 0.444 73 V N 0.197 120.113 119.914 0.004 0.000 2.407 73 V HA -0.269 3.851 4.120 0.000 0.000 0.248 73 V C 2.502 178.598 176.094 0.003 0.000 1.055 73 V CA 2.265 64.570 62.300 0.008 0.000 1.049 73 V CB -0.754 31.074 31.823 0.009 0.000 0.662 73 V HN 0.792 nan 8.190 nan 0.000 0.455 74 E N 0.406 120.602 120.200 -0.008 0.000 2.204 74 E HA -0.168 4.182 4.350 0.000 0.000 0.195 74 E C 1.990 178.592 176.600 0.004 0.000 0.990 74 E CA 1.198 57.594 56.400 -0.007 0.000 0.821 74 E CB -0.231 29.454 29.700 -0.024 0.000 0.750 74 E HN 0.610 nan 8.360 nan 0.000 0.477 75 G N -0.833 107.973 108.800 0.011 0.000 3.189 75 G HA2 0.227 4.187 3.960 0.000 0.000 0.225 75 G HA3 0.227 4.187 3.960 0.000 0.000 0.225 75 G C 0.924 175.837 174.900 0.020 0.000 1.159 75 G CA 0.173 45.285 45.100 0.020 0.000 0.763 75 G HN 0.443 nan 8.290 nan 0.000 0.549 76 G N -1.003 107.808 108.800 0.017 0.000 2.157 76 G HA2 0.105 4.065 3.960 0.000 0.000 0.239 76 G HA3 0.105 4.065 3.960 0.000 0.000 0.239 76 G C 0.625 175.538 174.900 0.022 0.000 0.982 76 G CA 0.155 45.266 45.100 0.018 0.000 0.650 76 G HN 1.380 nan 8.290 nan 0.000 0.527 77 A N -0.138 122.697 122.820 0.025 0.000 2.540 77 A HA 0.516 4.837 4.320 0.000 0.000 0.239 77 A C 1.296 178.897 177.584 0.027 0.000 1.061 77 A CA 1.179 53.234 52.037 0.029 0.000 0.758 77 A CB 0.292 19.311 19.000 0.032 0.000 0.991 77 A HN 0.376 nan 8.150 nan 0.000 0.502 78 Q N -0.070 119.748 119.800 0.030 0.000 2.317 78 Q HA 0.384 4.724 4.340 0.000 0.000 0.220 78 Q C 0.210 176.227 176.000 0.028 0.000 0.873 78 Q CA 1.044 56.864 55.803 0.028 0.000 0.936 78 Q CB 0.694 29.449 28.738 0.029 0.000 1.105 78 Q HN 0.962 nan 8.270 nan 0.000 0.520 79 A N 0.363 123.202 122.820 0.032 0.000 2.612 79 A HA 0.649 4.969 4.320 0.000 0.000 0.293 79 A C -0.960 176.644 177.584 0.034 0.000 1.075 79 A CA -0.584 51.471 52.037 0.030 0.000 0.680 79 A CB 1.347 20.363 19.000 0.027 0.000 1.279 79 A HN 0.001 nan 8.150 nan 0.000 0.411 80 V N -2.256 117.676 119.914 0.031 0.000 3.040 80 V HA 1.053 5.173 4.120 0.000 0.000 0.312 80 V C -0.091 176.021 176.094 0.029 0.000 1.115 80 V CA -0.322 61.998 62.300 0.033 0.000 0.998 80 V CB 1.218 33.060 31.823 0.032 0.000 1.042 80 V HN 2.526 nan 8.190 nan 0.000 0.433 81 A N 1.301 124.140 122.820 0.032 0.000 2.572 81 A HA 1.013 5.333 4.320 0.000 0.000 0.295 81 A C -0.512 177.094 177.584 0.036 0.000 1.072 81 A CA -0.034 52.020 52.037 0.029 0.000 0.691 81 A CB 1.515 20.529 19.000 0.024 0.000 1.291 81 A HN 2.675 nan 8.150 nan 0.000 0.404 82 C N -0.515 118.808 119.300 0.039 0.000 3.283 82 C HA 0.884 5.344 4.460 0.000 0.000 0.359 82 C C -0.017 175.016 174.990 0.071 0.000 1.160 82 C CA -0.241 58.811 59.018 0.057 0.000 1.232 82 C CB 0.762 28.539 27.740 0.062 0.000 1.571 82 C HN 2.257 nan 8.230 nan 0.000 0.522 83 A N 1.643 124.520 122.820 0.095 0.000 2.293 83 A HA 0.946 5.266 4.320 0.000 0.000 0.302 83 A C 0.085 177.865 177.584 0.326 0.000 1.119 83 A CA 0.303 52.409 52.037 0.116 0.000 0.823 83 A CB 0.963 19.918 19.000 -0.075 0.000 1.097 83 A HN 2.391 nan 8.150 nan 0.000 0.491 84 S N -0.915 115.007 115.700 0.371 0.000 2.567 84 S HA 0.467 4.937 4.470 0.000 0.000 0.270 84 S C 0.428 175.176 174.600 0.247 0.000 1.152 84 S CA 0.257 58.641 58.200 0.307 0.000 0.835 84 S CB 0.854 64.131 63.200 0.128 0.000 1.115 84 S HN 1.436 nan 8.310 nan 0.000 0.459 85 T N 0.174 114.750 114.554 0.037 0.000 3.107 85 T HA 0.518 4.868 4.350 0.000 0.000 0.249 85 T C 1.343 176.062 174.700 0.031 0.000 1.096 85 T CA 0.969 63.081 62.100 0.020 0.000 1.012 85 T CB 0.127 68.924 68.868 -0.119 0.000 0.977 85 T HN 1.710 nan 8.240 nan 0.000 0.527 86 G N 1.509 110.326 108.800 0.028 0.000 3.465 86 G HA2 -0.227 3.733 3.960 0.000 0.000 0.196 86 G HA3 -0.227 3.733 3.960 0.000 0.000 0.196 86 G C 1.007 175.906 174.900 -0.002 0.000 1.170 86 G CA 0.091 45.204 45.100 0.023 0.000 0.887 86 G HN 0.318 nan 8.290 nan 0.000 0.444 87 N N 1.007 119.683 118.700 -0.040 0.000 2.171 87 N HA -0.022 4.718 4.740 0.000 0.000 0.184 87 N C 2.155 177.609 175.510 -0.093 0.000 1.021 87 N CA 1.909 54.912 53.050 -0.078 0.000 0.854 87 N CB -0.493 37.912 38.487 -0.138 0.000 0.994 87 N HN 0.439 nan 8.380 nan 0.000 0.426 88 T N 1.187 115.684 114.554 -0.095 0.000 2.821 88 T HA -0.012 4.338 4.350 0.000 0.000 0.267 88 T C 1.972 176.662 174.700 -0.015 0.000 1.046 88 T CA 1.172 63.227 62.100 -0.075 0.000 1.139 88 T CB -0.183 68.660 68.868 -0.042 0.000 0.871 88 T HN 0.306 nan 8.240 nan 0.000 0.454 89 A N 1.478 124.305 122.820 0.012 0.000 1.873 89 A HA 0.211 4.531 4.320 0.000 0.000 0.215 89 A C 2.657 180.261 177.584 0.033 0.000 1.186 89 A CA 1.706 53.763 52.037 0.034 0.000 0.616 89 A CB -1.120 17.910 19.000 0.050 0.000 0.823 89 A HN 0.489 nan 8.150 nan 0.000 0.442 90 A N -0.810 122.028 122.820 0.030 0.000 1.902 90 A HA -0.129 4.191 4.320 0.000 0.000 0.217 90 A C 2.500 180.096 177.584 0.019 0.000 1.181 90 A CA 2.274 54.341 52.037 0.050 0.000 0.623 90 A CB -1.016 18.013 19.000 0.047 0.000 0.818 90 A HN 0.544 nan 8.150 nan 0.000 0.443 91 S N -0.556 115.153 115.700 0.015 0.000 2.348 91 S HA -0.049 4.421 4.470 0.000 0.000 0.221 91 S C 2.247 176.924 174.600 0.128 0.000 1.033 91 S CA 1.648 59.893 58.200 0.076 0.000 1.010 91 S CB -0.568 62.648 63.200 0.027 0.000 0.891 91 S HN 0.859 nan 8.310 nan 0.000 0.442 92 A N 1.672 124.527 122.820 0.057 0.000 1.892 92 A HA 0.020 4.340 4.320 0.000 0.000 0.218 92 A C 2.486 180.097 177.584 0.045 0.000 1.188 92 A CA 2.254 54.326 52.037 0.057 0.000 0.631 92 A CB -1.566 17.453 19.000 0.032 0.000 0.822 92 A HN 0.794 nan 8.150 nan 0.000 0.447 93 A N -0.244 122.583 122.820 0.011 0.000 1.865 93 A HA 0.067 4.387 4.320 0.000 0.000 0.217 93 A C 2.571 180.065 177.584 -0.151 0.000 1.191 93 A CA 2.667 54.698 52.037 -0.010 0.000 0.623 93 A CB -1.224 17.812 19.000 0.061 0.000 0.826 93 A HN 1.205 nan 8.150 nan 0.000 0.444 94 A N -1.635 120.935 122.820 -0.418 0.000 1.877 94 A HA -0.096 4.224 4.320 0.000 0.000 0.216 94 A C 2.120 179.450 177.584 -0.423 0.000 1.186 94 A CA 1.660 53.226 52.037 -0.785 0.000 0.620 94 A CB -0.867 17.581 19.000 -0.920 0.000 0.822 94 A HN 0.602 nan 8.150 nan 0.000 0.443 95 Y N -0.151 120.036 120.300 -0.188 0.000 2.242 95 Y HA -0.056 4.494 4.550 0.000 0.000 0.291 95 Y C 2.885 178.742 175.900 -0.073 0.000 1.137 95 Y CA 0.935 58.971 58.100 -0.106 0.000 1.181 95 Y CB -0.377 38.036 38.460 -0.079 0.000 0.989 95 Y HN 0.339 nan 8.280 nan 0.000 0.527 96 A N 0.017 122.873 122.820 0.060 0.000 1.902 96 A HA -0.145 4.175 4.320 0.000 0.000 0.217 96 A C 2.427 180.014 177.584 0.004 0.000 1.181 96 A CA 1.730 53.788 52.037 0.035 0.000 0.623 96 A CB -1.183 17.835 19.000 0.030 0.000 0.818 96 A HN 0.400 nan 8.150 nan 0.000 0.443 97 A N -0.267 122.535 122.820 -0.030 0.000 1.902 97 A HA -0.145 4.175 4.320 0.000 0.000 0.217 97 A C 2.179 179.743 177.584 -0.033 0.000 1.181 97 A CA 2.069 54.093 52.037 -0.020 0.000 0.623 97 A CB -0.426 18.571 19.000 -0.005 0.000 0.818 97 A HN 0.450 nan 8.150 nan 0.000 0.443 98 R N 0.117 120.570 120.500 -0.077 0.000 2.096 98 R HA 0.001 4.341 4.340 0.000 0.000 0.235 98 R C 1.932 178.220 176.300 -0.020 0.000 1.127 98 R CA 1.818 57.874 56.100 -0.074 0.000 0.968 98 R CB -0.660 29.551 30.300 -0.149 0.000 0.861 98 R HN 0.395 nan 8.270 nan 0.000 0.440 99 A N -1.139 121.684 122.820 0.005 0.000 2.123 99 A HA 0.287 4.607 4.320 0.000 0.000 0.214 99 A C 1.350 178.942 177.584 0.014 0.000 1.152 99 A CA 0.673 52.722 52.037 0.021 0.000 0.728 99 A CB -0.410 18.614 19.000 0.040 0.000 0.814 99 A HN 0.534 nan 8.150 nan 0.000 0.464 100 G N -0.254 108.551 108.800 0.009 0.000 2.182 100 G HA2 -0.210 3.750 3.960 0.000 0.000 0.248 100 G HA3 -0.210 3.750 3.960 0.000 0.000 0.248 100 G C 0.105 175.013 174.900 0.013 0.000 1.042 100 G CA 0.514 45.620 45.100 0.009 0.000 0.775 100 G HN 1.381 nan 8.290 nan 0.000 0.501 101 I N -3.489 117.091 120.570 0.017 0.000 3.206 101 I HA 0.914 5.084 4.170 0.000 0.000 0.313 101 I C 0.152 176.281 176.117 0.019 0.000 1.103 101 I CA -1.964 59.347 61.300 0.019 0.000 0.985 101 I CB 1.556 39.570 38.000 0.023 0.000 1.240 101 I HN 0.031 nan 8.210 nan 0.000 0.464 102 L N 2.611 123.845 121.223 0.019 0.000 2.395 102 L HA 0.740 5.080 4.340 0.000 0.000 0.269 102 L C -0.234 176.648 176.870 0.020 0.000 1.133 102 L CA 0.228 55.078 54.840 0.017 0.000 0.812 102 L CB 1.046 43.112 42.059 0.012 0.000 1.125 102 L HN 0.850 nan 8.230 nan 0.000 0.452 103 A N 6.324 129.155 122.820 0.019 0.000 2.359 103 A HA 0.728 5.048 4.320 0.000 0.000 0.303 103 A C -0.977 176.617 177.584 0.016 0.000 1.066 103 A CA -0.443 51.607 52.037 0.022 0.000 0.730 103 A CB 0.622 19.639 19.000 0.028 0.000 1.211 103 A HN 0.648 nan 8.150 nan 0.000 0.439 104 I N 3.454 124.031 120.570 0.013 0.000 2.382 104 I HA 0.468 4.638 4.170 0.000 0.000 0.286 104 I C -0.374 175.751 176.117 0.014 0.000 1.002 104 I CA -0.989 60.313 61.300 0.003 0.000 1.135 104 I CB 1.900 39.891 38.000 -0.015 0.000 1.288 104 I HN 0.502 nan 8.210 nan 0.000 0.448 105 V N 4.731 124.657 119.914 0.019 0.000 2.495 105 V HA 0.648 4.768 4.120 0.000 0.000 0.298 105 V C -0.455 175.656 176.094 0.029 0.000 1.031 105 V CA -0.626 61.693 62.300 0.032 0.000 0.871 105 V CB 1.757 33.605 31.823 0.042 0.000 0.988 105 V HN 0.376 nan 8.190 nan 0.000 0.432 106 V N 6.315 126.251 119.914 0.037 0.000 2.357 106 V HA 0.548 4.668 4.120 0.000 0.000 0.284 106 V C -0.029 176.101 176.094 0.061 0.000 1.018 106 V CA -0.310 62.008 62.300 0.030 0.000 0.841 106 V CB 0.994 32.820 31.823 0.005 0.000 0.991 106 V HN 0.840 nan 8.190 nan 0.000 0.437 107 L N 6.540 127.802 121.223 0.065 0.000 2.319 107 L HA 0.654 4.994 4.340 0.000 0.000 0.267 107 L C -2.463 174.468 176.870 0.102 0.000 1.011 107 L CA -2.092 52.807 54.840 0.099 0.000 0.818 107 L CB 2.814 44.925 42.059 0.086 0.000 1.316 107 L HN 0.365 nan 8.230 nan 0.000 0.432 108 P HA 0.162 nan 4.420 nan 0.000 0.287 108 P C -0.668 176.736 177.300 0.175 0.000 1.294 108 P CA -0.296 62.903 63.100 0.166 0.000 0.776 108 P CB 1.356 33.188 31.700 0.219 0.000 0.889 109 A N 3.611 126.510 122.820 0.131 0.000 2.561 109 A HA 0.366 4.686 4.320 0.000 0.000 0.251 109 A C 1.613 179.231 177.584 0.057 0.000 1.062 109 A CA 0.947 53.033 52.037 0.082 0.000 0.761 109 A CB -1.426 17.609 19.000 0.059 0.000 0.986 109 A HN 0.874 nan 8.150 nan 0.000 0.510 110 G N 1.232 109.999 108.800 -0.056 0.000 2.205 110 G HA2 -0.293 3.667 3.960 0.000 0.000 0.261 110 G HA3 -0.293 3.667 3.960 0.000 0.000 0.261 110 G C 0.154 174.747 174.900 -0.512 0.000 0.980 110 G CA 0.952 45.883 45.100 -0.282 0.000 0.632 110 G HN 0.972 nan 8.290 nan 0.000 0.533 111 Y N -0.079 120.241 120.300 0.034 0.000 2.699 111 Y HA 0.580 5.130 4.550 0.000 0.000 0.282 111 Y C 0.377 176.297 175.900 0.034 0.000 1.058 111 Y CA -0.543 57.578 58.100 0.035 0.000 1.194 111 Y CB 1.060 39.547 38.460 0.045 0.000 1.193 111 Y HN 0.140 nan 8.280 nan 0.000 0.562 112 V N 0.789 120.759 119.914 0.093 0.000 2.531 112 V HA 0.675 4.795 4.120 0.000 0.000 0.301 112 V C 0.267 176.382 176.094 0.036 0.000 1.034 112 V CA -1.580 60.764 62.300 0.073 0.000 0.865 112 V CB 1.384 33.248 31.823 0.067 0.000 0.995 112 V HN 0.377 nan 8.190 nan 0.000 0.424 113 A N 3.467 126.308 122.820 0.035 0.000 2.561 113 A HA 0.233 4.553 4.320 0.000 0.000 0.234 113 A C 1.229 178.825 177.584 0.021 0.000 1.055 113 A CA 0.178 52.230 52.037 0.025 0.000 0.756 113 A CB 0.019 19.034 19.000 0.025 0.000 0.986 113 A HN 1.079 nan 8.150 nan 0.000 0.505 114 L N 3.452 124.687 121.223 0.019 0.000 2.013 114 L HA -0.126 4.214 4.340 0.000 0.000 0.212 114 L C 2.333 179.214 176.870 0.018 0.000 1.073 114 L CA 3.099 57.949 54.840 0.016 0.000 0.753 114 L CB -0.944 41.127 42.059 0.021 0.000 0.890 114 L HN 0.813 nan 8.230 nan 0.000 0.432 115 G N -0.994 107.821 108.800 0.024 0.000 2.442 115 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 115 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 115 G C 1.645 176.554 174.900 0.015 0.000 1.141 115 G CA 1.033 46.145 45.100 0.019 0.000 0.763 115 G HN 0.471 nan 8.290 nan 0.000 0.554 116 K N -0.044 120.368 120.400 0.020 0.000 2.025 116 K HA 0.014 4.334 4.320 0.000 0.000 0.207 116 K C 2.563 179.179 176.600 0.027 0.000 1.049 116 K CA 1.046 57.348 56.287 0.024 0.000 0.933 116 K CB -0.400 32.114 32.500 0.023 0.000 0.714 116 K HN 0.182 nan 8.250 nan 0.000 0.438 117 V N 1.759 121.686 119.914 0.022 0.000 2.332 117 V HA -0.301 3.819 4.120 0.000 0.000 0.248 117 V C 2.408 178.509 176.094 0.012 0.000 1.055 117 V CA 2.122 64.434 62.300 0.020 0.000 1.038 117 V CB -0.829 31.002 31.823 0.013 0.000 0.651 117 V HN 0.391 nan 8.190 nan 0.000 0.450 118 A N -0.959 121.863 122.820 0.003 0.000 1.940 118 A HA -0.302 4.018 4.320 0.000 0.000 0.219 118 A C 2.194 179.761 177.584 -0.028 0.000 1.176 118 A CA 2.056 54.084 52.037 -0.015 0.000 0.631 118 A CB -0.472 18.516 19.000 -0.019 0.000 0.814 118 A HN 0.639 nan 8.150 nan 0.000 0.446 119 Q N -0.511 119.288 119.800 -0.002 0.000 2.050 119 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 119 Q C 2.486 178.543 176.000 0.095 0.000 0.980 119 Q CA 1.788 57.608 55.803 0.030 0.000 0.840 119 Q CB -0.216 28.587 28.738 0.107 0.000 0.898 119 Q HN 0.642 nan 8.270 nan 0.000 0.424 120 S N 0.861 116.612 115.700 0.086 0.000 2.382 120 S HA -0.100 4.370 4.470 0.000 0.000 0.228 120 S C 1.936 176.570 174.600 0.056 0.000 1.027 120 S CA 0.830 59.083 58.200 0.088 0.000 0.991 120 S CB -0.177 63.058 63.200 0.059 0.000 0.823 120 S HN 0.246 nan 8.310 nan 0.000 0.469 121 L N 0.459 121.694 121.223 0.019 0.000 1.994 121 L HA -0.053 4.287 4.340 0.000 0.000 0.208 121 L C 2.459 179.316 176.870 -0.023 0.000 1.071 121 L CA 1.095 55.934 54.840 -0.002 0.000 0.745 121 L CB -0.537 41.515 42.059 -0.012 0.000 0.892 121 L HN 0.225 nan 8.230 nan 0.000 0.431 122 V N -1.168 118.701 119.914 -0.075 0.000 2.667 122 V HA -0.221 3.899 4.120 0.000 0.000 0.252 122 V C 2.301 178.305 176.094 -0.150 0.000 1.065 122 V CA 1.382 63.601 62.300 -0.135 0.000 1.083 122 V CB -0.633 31.064 31.823 -0.209 0.000 0.692 122 V HN 0.468 nan 8.190 nan 0.000 0.468 123 H N 0.331 119.390 119.070 -0.017 0.000 2.555 123 H HA 0.201 4.757 4.556 0.000 0.000 0.269 123 H C 1.825 177.145 175.328 -0.014 0.000 0.988 123 H CA 0.652 56.688 56.048 -0.021 0.000 1.178 123 H CB -0.024 29.725 29.762 -0.022 0.000 1.373 123 H HN 0.582 nan 8.280 nan 0.000 0.588 124 G N 0.446 109.292 108.800 0.078 0.000 2.149 124 G HA2 -0.208 3.752 3.960 0.000 0.000 0.235 124 G HA3 -0.208 3.752 3.960 0.000 0.000 0.235 124 G C 0.412 175.340 174.900 0.046 0.000 1.018 124 G CA 0.277 45.405 45.100 0.047 0.000 0.728 124 G HN 0.683 nan 8.290 nan 0.000 0.508 125 A N -0.380 122.473 122.820 0.056 0.000 2.351 125 A HA 0.745 5.065 4.320 0.000 0.000 0.257 125 A C 0.785 178.383 177.584 0.024 0.000 1.087 125 A CA 0.089 52.150 52.037 0.041 0.000 0.798 125 A CB 0.403 19.433 19.000 0.049 0.000 1.033 125 A HN 0.685 nan 8.150 nan 0.000 0.488 126 R N 1.852 122.360 120.500 0.013 0.000 2.205 126 R HA 0.409 4.749 4.340 0.000 0.000 0.342 126 R C -0.950 175.352 176.300 0.003 0.000 1.058 126 R CA -0.130 55.971 56.100 0.002 0.000 0.904 126 R CB -0.142 30.152 30.300 -0.010 0.000 1.089 126 R HN 0.678 nan 8.270 nan 0.000 0.471 127 I N 4.576 125.150 120.570 0.006 0.000 2.428 127 I HA 0.198 4.368 4.170 0.000 0.000 0.289 127 I C -0.326 175.793 176.117 0.004 0.000 1.019 127 I CA -0.754 60.552 61.300 0.010 0.000 1.351 127 I CB 1.739 39.748 38.000 0.015 0.000 1.412 127 I HN 0.247 nan 8.210 nan 0.000 0.513 128 V N 6.270 126.188 119.914 0.007 0.000 2.409 128 V HA 0.259 4.379 4.120 0.000 0.000 0.290 128 V C -0.381 175.722 176.094 0.014 0.000 1.017 128 V CA -0.685 61.617 62.300 0.002 0.000 0.841 128 V CB 1.480 33.298 31.823 -0.009 0.000 1.003 128 V HN 0.684 nan 8.190 nan 0.000 0.426 129 Q N 3.567 123.377 119.800 0.016 0.000 2.340 129 Q HA 0.580 4.920 4.340 0.000 0.000 0.259 129 Q C -0.437 175.578 176.000 0.025 0.000 0.964 129 Q CA -0.557 55.263 55.803 0.027 0.000 0.900 129 Q CB 2.480 31.234 28.738 0.025 0.000 1.228 129 Q HN 0.747 nan 8.270 nan 0.000 0.449 130 V N -0.032 119.901 119.914 0.032 0.000 2.532 130 V HA 0.322 4.442 4.120 0.000 0.000 0.295 130 V C 0.081 176.200 176.094 0.042 0.000 1.041 130 V CA -0.877 61.438 62.300 0.026 0.000 0.926 130 V CB 1.497 33.327 31.823 0.013 0.000 0.992 130 V HN 0.725 nan 8.190 nan 0.000 0.457 131 E N 3.291 123.513 120.200 0.035 0.000 2.222 131 E HA 0.504 4.854 4.350 0.000 0.000 0.312 131 E C 0.458 177.086 176.600 0.047 0.000 1.263 131 E CA 0.360 56.788 56.400 0.047 0.000 1.356 131 E CB 0.023 29.744 29.700 0.035 0.000 1.180 131 E HN 1.050 nan 8.360 nan 0.000 0.494 132 G N 1.222 110.057 108.800 0.058 0.000 2.606 132 G HA2 0.209 4.169 3.960 0.000 0.000 0.300 132 G HA3 0.209 4.169 3.960 0.000 0.000 0.300 132 G C -0.963 173.970 174.900 0.056 0.000 1.360 132 G CA -0.963 44.161 45.100 0.040 0.000 0.783 132 G HN 0.310 nan 8.290 nan 0.000 0.484 133 N N -1.420 117.294 118.700 0.023 0.000 2.566 133 N HA 0.446 5.186 4.740 0.000 0.000 0.299 133 N C 1.052 176.598 175.510 0.060 0.000 1.277 133 N CA -0.688 52.382 53.050 0.033 0.000 0.965 133 N CB 0.437 38.912 38.487 -0.019 0.000 1.142 133 N HN 0.412 nan 8.380 nan 0.000 0.596 134 F N 0.117 120.066 119.950 -0.001 0.000 2.134 134 F HA -0.117 4.410 4.527 -0.000 0.000 0.299 134 F C 1.350 177.161 175.800 0.018 0.000 1.097 134 F CA 1.639 59.649 58.000 0.016 0.000 1.264 134 F CB -0.326 38.684 39.000 0.016 0.000 1.001 134 F HN 0.375 nan 8.300 nan 0.000 0.479 135 D N 0.476 120.788 120.400 -0.147 0.000 2.149 135 D HA -0.203 4.437 4.640 0.000 0.000 0.198 135 D C 1.776 177.928 176.300 -0.247 0.000 0.990 135 D CA 1.679 55.551 54.000 -0.213 0.000 0.839 135 D CB -0.462 40.342 40.800 0.005 0.000 0.948 135 D HN 0.420 nan 8.370 nan 0.000 0.460 136 D N 0.837 121.143 120.400 -0.157 0.000 2.117 136 D HA -0.079 4.561 4.640 0.000 0.000 0.198 136 D C 2.121 178.327 176.300 -0.158 0.000 0.982 136 D CA 1.011 54.942 54.000 -0.115 0.000 0.828 136 D CB -0.236 40.531 40.800 -0.055 0.000 0.967 136 D HN 0.114 nan 8.370 nan 0.000 0.464 137 A N 0.957 123.653 122.820 -0.206 0.000 1.933 137 A HA -0.152 4.168 4.320 0.000 0.000 0.218 137 A C 2.187 179.614 177.584 -0.262 0.000 1.175 137 A CA 0.970 52.893 52.037 -0.190 0.000 0.628 137 A CB -0.657 18.259 19.000 -0.140 0.000 0.814 137 A HN 0.212 nan 8.150 nan 0.000 0.444 138 L N 0.769 121.698 121.223 -0.491 0.000 2.027 138 L HA -0.169 4.171 4.340 0.000 0.000 0.206 138 L C 2.711 179.469 176.870 -0.186 0.000 1.074 138 L CA 2.482 57.082 54.840 -0.400 0.000 0.745 138 L CB -0.556 41.146 42.059 -0.596 0.000 0.898 138 L HN 0.583 nan 8.230 nan 0.000 0.433 139 R N -0.692 119.711 120.500 -0.162 0.000 2.092 139 R HA -0.130 4.210 4.340 0.000 0.000 0.231 139 R C 2.131 178.397 176.300 -0.056 0.000 1.119 139 R CA 1.793 57.843 56.100 -0.083 0.000 0.970 139 R CB -1.035 29.224 30.300 -0.067 0.000 0.864 139 R HN 0.391 nan 8.270 nan 0.000 0.440 140 L N 1.109 122.293 121.223 -0.065 0.000 2.156 140 L HA -0.050 4.290 4.340 0.000 0.000 0.208 140 L C 2.096 178.955 176.870 -0.019 0.000 1.095 140 L CA 1.440 56.260 54.840 -0.034 0.000 0.770 140 L CB -0.386 41.652 42.059 -0.035 0.000 0.914 140 L HN 0.271 nan 8.230 nan 0.000 0.439 141 T N -1.323 113.209 114.554 -0.036 0.000 2.942 141 T HA -0.132 4.218 4.350 0.000 0.000 0.265 141 T C 1.876 176.581 174.700 0.008 0.000 1.062 141 T CA 0.850 62.942 62.100 -0.013 0.000 1.139 141 T CB -0.012 68.843 68.868 -0.021 0.000 0.883 141 T HN 0.353 nan 8.240 nan 0.000 0.468 142 Q N 0.511 120.309 119.800 -0.003 0.000 2.119 142 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 142 Q C 2.333 178.348 176.000 0.024 0.000 0.972 142 Q CA 0.780 56.589 55.803 0.011 0.000 0.847 142 Q CB -0.001 28.737 28.738 -0.000 0.000 0.903 142 Q HN 0.251 nan 8.270 nan 0.000 0.433 143 K N 0.696 121.110 120.400 0.022 0.000 2.097 143 K HA -0.119 4.201 4.320 0.000 0.000 0.205 143 K C 2.029 178.677 176.600 0.080 0.000 1.050 143 K CA 0.615 56.924 56.287 0.037 0.000 0.938 143 K CB -0.347 32.170 32.500 0.029 0.000 0.718 143 K HN 0.140 nan 8.250 nan 0.000 0.442 144 L N 1.605 122.884 121.223 0.094 0.000 2.093 144 L HA -0.131 4.209 4.340 0.000 0.000 0.208 144 L C 2.030 179.025 176.870 0.208 0.000 1.085 144 L CA 2.020 56.962 54.840 0.170 0.000 0.755 144 L CB -0.916 41.190 42.059 0.078 0.000 0.904 144 L HN 0.302 nan 8.230 nan 0.000 0.435 145 T N -4.839 109.785 114.554 0.116 0.000 3.113 145 T HA -0.008 4.342 4.350 0.000 0.000 0.256 145 T C 1.510 176.256 174.700 0.076 0.000 1.131 145 T CA 0.773 62.935 62.100 0.102 0.000 1.074 145 T CB -0.225 68.682 68.868 0.065 0.000 0.944 145 T HN 0.438 nan 8.240 nan 0.000 0.516 146 E N 0.607 120.844 120.200 0.061 0.000 2.276 146 E HA 0.316 4.666 4.350 0.000 0.000 0.193 146 E C 2.267 178.858 176.600 -0.015 0.000 0.983 146 E CA 0.500 56.912 56.400 0.020 0.000 0.861 146 E CB 0.062 29.769 29.700 0.011 0.000 0.817 146 E HN 0.628 nan 8.360 nan 0.000 0.485 147 A N 0.377 123.199 122.820 0.003 0.000 1.997 147 A HA 0.164 4.484 4.320 0.000 0.000 0.212 147 A C 0.464 177.766 177.584 -0.469 0.000 1.178 147 A CA 0.468 52.389 52.037 -0.193 0.000 0.698 147 A CB 0.228 19.161 19.000 -0.112 0.000 0.842 147 A HN 0.049 nan 8.150 nan 0.000 0.458 148 F N -0.746 119.206 119.950 0.003 0.000 2.579 148 F HA 0.451 4.978 4.527 0.000 0.000 0.324 148 F C -2.126 173.678 175.800 0.007 0.000 1.058 148 F CA -2.603 55.400 58.000 0.005 0.000 0.944 148 F CB 1.328 40.331 39.000 0.005 0.000 1.245 148 F HN -0.137 nan 8.300 nan 0.000 0.477 149 P HA 0.094 nan 4.420 nan 0.000 0.235 149 P C -0.919 176.444 177.300 0.106 0.000 1.765 149 P CA 0.434 63.596 63.100 0.103 0.000 1.034 149 P CB -0.062 31.686 31.700 0.080 0.000 1.984 150 V N 1.598 121.577 119.914 0.108 0.000 2.525 150 V HA 0.476 4.596 4.120 0.000 0.000 0.299 150 V C 0.458 176.591 176.094 0.065 0.000 1.034 150 V CA -1.249 61.099 62.300 0.081 0.000 0.863 150 V CB 1.829 33.700 31.823 0.081 0.000 0.999 150 V HN 0.364 nan 8.190 nan 0.000 0.423 151 A N 4.831 127.683 122.820 0.053 0.000 2.492 151 A HA 0.515 4.835 4.320 0.000 0.000 0.254 151 A C -0.403 177.209 177.584 0.047 0.000 1.091 151 A CA -0.030 52.037 52.037 0.050 0.000 0.768 151 A CB 0.085 19.114 19.000 0.048 0.000 1.028 151 A HN 0.871 nan 8.150 nan 0.000 0.498 152 L N 4.376 125.627 121.223 0.046 0.000 2.313 152 L HA 0.383 4.723 4.340 0.000 0.000 0.282 152 L C 0.746 177.641 176.870 0.043 0.000 1.092 152 L CA 0.457 55.323 54.840 0.043 0.000 0.831 152 L CB 1.268 43.350 42.059 0.038 0.000 1.159 152 L HN 0.653 nan 8.230 nan 0.000 0.442 153 V N 1.091 121.029 119.914 0.040 0.000 3.121 153 V HA 0.407 4.527 4.120 0.000 0.000 0.344 153 V C 0.740 176.856 176.094 0.037 0.000 1.390 153 V CA -0.554 61.767 62.300 0.035 0.000 1.177 153 V CB -1.293 30.541 31.823 0.019 0.000 1.163 153 V HN 0.803 nan 8.190 nan 0.000 0.484 154 N N 1.339 120.069 118.700 0.051 0.000 2.381 154 N HA 0.203 4.943 4.740 0.000 0.000 0.254 154 N C 1.621 177.169 175.510 0.064 0.000 1.264 154 N CA 0.569 53.663 53.050 0.073 0.000 0.942 154 N CB 1.034 39.579 38.487 0.095 0.000 1.190 154 N HN 0.383 nan 8.380 nan 0.000 0.495 155 S N -0.592 115.156 115.700 0.081 0.000 2.440 155 S HA -0.169 4.301 4.470 0.000 0.000 0.240 155 S C 1.823 176.458 174.600 0.058 0.000 1.014 155 S CA 0.828 59.070 58.200 0.071 0.000 0.980 155 S CB -0.466 62.789 63.200 0.091 0.000 0.775 155 S HN 0.436 nan 8.310 nan 0.000 0.499 156 V N 2.360 122.310 119.914 0.060 0.000 2.867 156 V HA -0.039 4.081 4.120 0.000 0.000 0.260 156 V C 0.818 176.918 176.094 0.011 0.000 1.099 156 V CA 1.313 63.637 62.300 0.041 0.000 1.122 156 V CB -1.045 30.803 31.823 0.042 0.000 0.708 156 V HN 0.607 nan 8.190 nan 0.000 0.490 157 N N 0.778 119.484 118.700 0.011 0.000 2.405 157 N HA 0.125 4.865 4.740 0.000 0.000 0.260 157 N C -1.603 173.876 175.510 -0.051 0.000 1.152 157 N CA -1.577 51.460 53.050 -0.022 0.000 0.948 157 N CB 1.509 40.007 38.487 0.018 0.000 1.111 157 N HN 0.179 nan 8.380 nan 0.000 0.485 158 P HA -0.172 nan 4.420 nan 0.000 0.217 158 P C 0.772 178.020 177.300 -0.088 0.000 1.148 158 P CA 1.314 64.335 63.100 -0.131 0.000 0.834 158 P CB 0.101 31.679 31.700 -0.204 0.000 0.783 159 H N -1.272 117.796 119.070 -0.005 0.000 2.456 159 H HA -0.002 4.554 4.556 0.000 0.000 0.296 159 H C 2.085 177.396 175.328 -0.029 0.000 1.079 159 H CA 0.976 57.014 56.048 -0.017 0.000 1.322 159 H CB -0.283 29.468 29.762 -0.019 0.000 1.388 159 H HN 0.064 nan 8.280 nan 0.000 0.538 160 R N 0.649 121.200 120.500 0.085 0.000 2.081 160 R HA -0.052 4.288 4.340 0.000 0.000 0.235 160 R C 2.504 178.820 176.300 0.027 0.000 1.131 160 R CA 0.605 56.728 56.100 0.038 0.000 0.960 160 R CB -0.545 29.776 30.300 0.035 0.000 0.856 160 R HN 0.353 nan 8.270 nan 0.000 0.436 161 L N 0.437 121.674 121.223 0.022 0.000 2.179 161 L HA -0.039 4.301 4.340 0.000 0.000 0.208 161 L C 2.196 179.041 176.870 -0.041 0.000 1.096 161 L CA 0.732 55.572 54.840 0.001 0.000 0.779 161 L CB -0.407 41.656 42.059 0.006 0.000 0.922 161 L HN 0.055 nan 8.230 nan 0.000 0.443 162 E N 0.771 120.963 120.200 -0.013 0.000 2.106 162 E HA -0.132 4.218 4.350 0.000 0.000 0.192 162 E C 2.167 178.725 176.600 -0.070 0.000 0.984 162 E CA 1.353 57.738 56.400 -0.024 0.000 0.806 162 E CB -0.107 29.628 29.700 0.057 0.000 0.750 162 E HN 0.510 nan 8.360 nan 0.000 0.458 163 G N 0.866 109.639 108.800 -0.045 0.000 2.408 163 G HA2 -0.236 3.724 3.960 0.000 0.000 0.215 163 G HA3 -0.236 3.724 3.960 0.000 0.000 0.215 163 G C 1.479 176.308 174.900 -0.118 0.000 1.156 163 G CA 0.168 45.227 45.100 -0.067 0.000 0.793 163 G HN 0.228 nan 8.290 nan 0.000 0.535 164 Q N 0.416 120.157 119.800 -0.097 0.000 2.297 164 Q HA -0.028 4.312 4.340 0.000 0.000 0.204 164 Q C 2.359 178.173 176.000 -0.311 0.000 0.962 164 Q CA 1.138 56.877 55.803 -0.106 0.000 0.879 164 Q CB -0.088 28.674 28.738 0.040 0.000 0.947 164 Q HN 0.686 nan 8.270 nan 0.000 0.462 165 K N 0.668 120.830 120.400 -0.396 0.000 2.360 165 K HA -0.104 4.216 4.320 0.000 0.000 0.201 165 K C 1.775 177.700 176.600 -1.124 0.000 1.046 165 K CA 1.656 57.546 56.287 -0.662 0.000 0.945 165 K CB -0.391 31.748 32.500 -0.601 0.000 0.750 165 K HN 0.119 nan 8.250 nan 0.000 0.464 166 T N -0.105 113.879 114.554 -0.950 0.000 2.929 166 T HA -0.129 4.221 4.350 0.000 0.000 0.271 166 T C 1.823 176.087 174.700 -0.727 0.000 1.085 166 T CA 0.862 62.327 62.100 -1.058 0.000 1.125 166 T CB -0.327 68.245 68.868 -0.493 0.000 0.874 166 T HN 0.317 nan 8.240 nan 0.000 0.494 167 L N 0.891 121.758 121.223 -0.594 0.000 2.012 167 L HA -0.013 4.327 4.340 0.000 0.000 0.210 167 L C 2.984 179.555 176.870 -0.499 0.000 1.073 167 L CA 1.698 56.276 54.840 -0.437 0.000 0.748 167 L CB -0.810 40.944 42.059 -0.509 0.000 0.891 167 L HN 0.373 nan 8.230 nan 0.000 0.431 168 A N -0.202 122.124 122.820 -0.823 0.000 1.883 168 A HA -0.246 4.074 4.320 0.000 0.000 0.217 168 A C 2.123 179.333 177.584 -0.623 0.000 1.186 168 A CA 1.900 53.348 52.037 -0.982 0.000 0.624 168 A CB -1.200 16.887 19.000 -1.522 0.000 0.822 168 A HN 0.552 nan 8.150 nan 0.000 0.444 169 F N -0.174 119.260 119.950 -0.861 0.000 2.126 169 F HA -0.235 4.292 4.527 0.000 0.000 0.299 169 F C 2.602 178.196 175.800 -0.343 0.000 1.096 169 F CA 1.307 58.687 58.000 -1.034 0.000 1.255 169 F CB -0.306 37.911 39.000 -1.306 0.000 0.997 169 F HN 0.325 nan 8.300 nan 0.000 0.479 170 E N 0.194 120.405 120.200 0.018 0.000 2.110 170 E HA -0.164 4.186 4.350 0.000 0.000 0.193 170 E C 2.222 178.886 176.600 0.106 0.000 0.988 170 E CA 1.124 57.615 56.400 0.153 0.000 0.804 170 E CB -0.131 29.648 29.700 0.132 0.000 0.745 170 E HN 0.192 nan 8.360 nan 0.000 0.458 171 V N 0.621 120.568 119.914 0.054 0.000 2.358 171 V HA -0.211 3.909 4.120 0.000 0.000 0.246 171 V C 2.263 178.433 176.094 0.126 0.000 1.047 171 V CA 1.245 63.604 62.300 0.099 0.000 1.035 171 V CB -0.228 31.702 31.823 0.178 0.000 0.658 171 V HN 0.137 nan 8.190 nan 0.000 0.452 172 V N -0.008 120.010 119.914 0.175 0.000 2.453 172 V HA -0.208 3.912 4.120 0.000 0.000 0.247 172 V C 2.256 178.484 176.094 0.223 0.000 1.048 172 V CA 1.911 64.357 62.300 0.244 0.000 1.049 172 V CB -0.694 31.372 31.823 0.405 0.000 0.672 172 V HN 0.515 nan 8.190 nan 0.000 0.457 173 D N -0.141 120.413 120.400 0.256 0.000 2.149 173 D HA -0.203 4.437 4.640 0.000 0.000 0.198 173 D C 2.172 178.549 176.300 0.128 0.000 0.990 173 D CA 1.694 55.826 54.000 0.219 0.000 0.839 173 D CB 0.036 40.984 40.800 0.247 0.000 0.948 173 D HN 0.625 nan 8.370 nan 0.000 0.460 174 E N -0.308 119.955 120.200 0.105 0.000 2.060 174 E HA 0.023 4.373 4.350 0.000 0.000 0.189 174 E C 2.149 178.765 176.600 0.027 0.000 0.974 174 E CA 0.192 56.630 56.400 0.063 0.000 0.808 174 E CB 0.057 29.791 29.700 0.056 0.000 0.768 174 E HN 0.147 nan 8.360 nan 0.000 0.453 175 L N -0.701 120.522 121.223 0.000 0.000 2.313 175 L HA 0.127 4.467 4.340 0.000 0.000 0.214 175 L C 1.697 178.568 176.870 0.002 0.000 1.119 175 L CA 0.787 55.597 54.840 -0.049 0.000 0.809 175 L CB -0.065 41.922 42.059 -0.118 0.000 0.933 175 L HN 0.563 nan 8.230 nan 0.000 0.449 176 G N -0.268 108.556 108.800 0.041 0.000 2.175 176 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 176 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 176 G C -0.111 174.818 174.900 0.048 0.000 0.982 176 G CA 0.314 45.440 45.100 0.043 0.000 0.641 176 G HN 0.414 nan 8.290 nan 0.000 0.527 177 D N -1.180 119.257 120.400 0.061 0.000 2.755 177 D HA 0.642 5.282 4.640 0.000 0.000 0.277 177 D C 0.057 176.413 176.300 0.092 0.000 1.261 177 D CA 0.592 54.633 54.000 0.067 0.000 0.759 177 D CB 0.539 41.344 40.800 0.009 0.000 1.279 177 D HN 0.965 nan 8.370 nan 0.000 0.420 178 A N 1.112 123.991 122.820 0.099 0.000 2.351 178 A HA 0.659 4.979 4.320 0.000 0.000 0.257 178 A C -2.246 175.296 177.584 -0.071 0.000 1.087 178 A CA -0.731 51.362 52.037 0.093 0.000 0.798 178 A CB 0.112 19.113 19.000 0.002 0.000 1.033 178 A HN 0.413 nan 8.150 nan 0.000 0.488 179 P HA 0.210 nan 4.420 nan 0.000 0.276 179 P C -0.268 176.942 177.300 -0.150 0.000 1.252 179 P CA -0.079 62.984 63.100 -0.063 0.000 0.802 179 P CB 0.496 32.217 31.700 0.035 0.000 1.035 180 H N -0.656 118.373 119.070 -0.069 0.000 2.389 180 H HA -0.002 4.554 4.556 0.000 0.000 0.299 180 H C 0.068 175.125 175.328 -0.451 0.000 1.081 180 H CA 1.840 57.730 56.048 -0.265 0.000 1.345 180 H CB -0.518 29.094 29.762 -0.250 0.000 1.393 180 H HN 0.420 nan 8.280 nan 0.000 0.520 181 Y N -1.749 118.623 120.300 0.120 0.000 2.553 181 Y HA 0.375 4.925 4.550 0.000 0.000 0.347 181 Y C -0.686 175.268 175.900 0.090 0.000 1.019 181 Y CA -1.186 56.960 58.100 0.076 0.000 1.032 181 Y CB 1.815 40.322 38.460 0.078 0.000 1.284 181 Y HN 0.035 nan 8.280 nan 0.000 0.466 182 H N 0.952 120.136 119.070 0.189 0.000 3.013 182 H HA 0.776 5.332 4.556 0.000 0.000 0.326 182 H C -1.379 174.034 175.328 0.141 0.000 0.973 182 H CA -0.633 55.516 56.048 0.169 0.000 1.369 182 H CB 0.818 30.693 29.762 0.189 0.000 1.598 182 H HN 0.884 nan 8.280 nan 0.000 0.518 183 A N 5.456 128.480 122.820 0.340 0.000 2.312 183 A HA 0.740 5.060 4.320 0.000 0.000 0.326 183 A C -0.970 176.784 177.584 0.285 0.000 1.172 183 A CA -0.571 51.657 52.037 0.317 0.000 0.821 183 A CB 0.509 19.688 19.000 0.297 0.000 1.166 183 A HN 0.725 nan 8.150 nan 0.000 0.493 184 L N -0.803 120.531 121.223 0.185 0.000 2.775 184 L HA 0.771 5.111 4.340 0.000 0.000 0.263 184 L C -3.274 173.624 176.870 0.047 0.000 1.017 184 L CA -2.236 52.634 54.840 0.050 0.000 0.891 184 L CB 1.866 43.804 42.059 -0.202 0.000 1.482 184 L HN 0.350 nan 8.230 nan 0.000 0.410 185 P HA 0.416 nan 4.420 nan 0.000 0.276 185 P C -1.247 176.019 177.300 -0.057 0.000 1.244 185 P CA -0.417 62.701 63.100 0.030 0.000 0.801 185 P CB 1.472 33.199 31.700 0.046 0.000 1.006 186 V N 1.376 121.257 119.914 -0.055 0.000 2.447 186 V HA 0.536 4.656 4.120 0.000 0.000 0.292 186 V C 0.759 176.803 176.094 -0.084 0.000 1.021 186 V CA 0.063 62.302 62.300 -0.102 0.000 0.850 186 V CB 1.102 32.828 31.823 -0.161 0.000 1.005 186 V HN 0.828 nan 8.190 nan 0.000 0.426 187 G N 2.834 111.592 108.800 -0.070 0.000 2.531 187 G HA2 0.021 3.981 3.960 0.000 0.000 0.210 187 G HA3 0.021 3.981 3.960 0.000 0.000 0.210 187 G C 0.799 175.653 174.900 -0.076 0.000 1.547 187 G CA 0.325 45.376 45.100 -0.082 0.000 0.740 187 G HN 0.544 nan 8.290 nan 0.000 0.611 188 N N 0.391 119.053 118.700 -0.062 0.000 2.336 188 N HA 0.270 5.010 4.740 0.000 0.000 0.189 188 N C 1.311 176.837 175.510 0.026 0.000 1.113 188 N CA 1.040 54.097 53.050 0.012 0.000 0.858 188 N CB 0.389 38.890 38.487 0.024 0.000 0.970 188 N HN 0.621 nan 8.380 nan 0.000 0.471 189 A N -1.687 121.122 122.820 -0.019 0.000 3.172 189 A HA -0.186 4.134 4.320 0.000 0.000 0.263 189 A C 1.750 179.337 177.584 0.004 0.000 1.215 189 A CA 1.493 53.508 52.037 -0.036 0.000 1.065 189 A CB -2.364 16.603 19.000 -0.054 0.000 1.148 189 A HN 0.422 nan 8.150 nan 0.000 0.904 190 G N -0.265 108.563 108.800 0.047 0.000 2.418 190 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 190 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 190 G C 1.217 176.155 174.900 0.064 0.000 1.158 190 G CA 1.519 46.662 45.100 0.072 0.000 0.771 190 G HN 0.661 nan 8.290 nan 0.000 0.545 191 N N 0.500 119.226 118.700 0.042 0.000 2.084 191 N HA -0.043 4.697 4.740 0.000 0.000 0.190 191 N C 2.138 177.606 175.510 -0.070 0.000 1.030 191 N CA 0.970 53.995 53.050 -0.042 0.000 0.849 191 N CB -0.307 37.964 38.487 -0.361 0.000 1.012 191 N HN 0.367 nan 8.380 nan 0.000 0.423 192 I N 0.123 120.584 120.570 -0.182 0.000 2.361 192 I HA -0.251 3.919 4.170 0.000 0.000 0.251 192 I C 1.350 177.462 176.117 -0.008 0.000 1.133 192 I CA 1.186 62.368 61.300 -0.197 0.000 1.413 192 I CB -0.262 37.611 38.000 -0.211 0.000 1.073 192 I HN 0.120 nan 8.210 nan 0.000 0.424 193 T N 1.027 115.595 114.554 0.022 0.000 2.777 193 T HA -0.087 4.263 4.350 0.000 0.000 0.266 193 T C 1.942 176.709 174.700 0.111 0.000 1.040 193 T CA 1.362 63.514 62.100 0.087 0.000 1.141 193 T CB -0.363 68.543 68.868 0.064 0.000 0.868 193 T HN 0.551 nan 8.240 nan 0.000 0.444 194 A N 1.102 123.963 122.820 0.069 0.000 1.898 194 A HA -0.127 4.193 4.320 0.000 0.000 0.216 194 A C 1.977 179.531 177.584 -0.049 0.000 1.181 194 A CA 1.677 53.711 52.037 -0.005 0.000 0.620 194 A CB -0.890 18.092 19.000 -0.030 0.000 0.819 194 A HN 0.513 nan 8.150 nan 0.000 0.442 195 H N -1.929 117.057 119.070 -0.140 0.000 2.319 195 H HA -0.192 4.364 4.556 0.000 0.000 0.297 195 H C 1.811 177.168 175.328 0.048 0.000 1.097 195 H CA 1.977 57.921 56.048 -0.173 0.000 1.285 195 H CB -0.300 29.356 29.762 -0.177 0.000 1.368 195 H HN 0.750 nan 8.280 nan 0.000 0.495 196 W N 0.586 121.932 121.300 0.076 0.000 2.388 196 W HA -0.203 4.457 4.660 -0.000 0.000 0.294 196 W C 1.781 178.330 176.519 0.051 0.000 1.212 196 W CA 0.910 58.314 57.345 0.098 0.000 1.271 196 W CB -0.091 29.394 29.460 0.042 0.000 1.126 196 W HN 0.232 nan 8.180 nan 0.000 0.535 197 M N 0.423 120.017 119.600 -0.009 0.000 2.080 197 M HA -0.173 4.307 4.480 0.000 0.000 0.260 197 M C 2.385 178.577 176.300 -0.180 0.000 1.068 197 M CA 2.266 57.486 55.300 -0.133 0.000 1.109 197 M CB -1.189 31.361 32.600 -0.083 0.000 1.342 197 M HN 0.031 nan 8.290 nan 0.000 0.405 198 G N -1.188 107.444 108.800 -0.280 0.000 2.402 198 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 198 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 198 G C 1.253 176.081 174.900 -0.119 0.000 1.162 198 G CA 0.604 45.479 45.100 -0.375 0.000 0.777 198 G HN 0.416 nan 8.290 nan 0.000 0.539 199 Y N 0.888 121.112 120.300 -0.126 0.000 2.181 199 Y HA -0.070 4.480 4.550 0.000 0.000 0.288 199 Y C 3.008 178.811 175.900 -0.162 0.000 1.146 199 Y CA 1.411 59.463 58.100 -0.080 0.000 1.164 199 Y CB 0.075 38.514 38.460 -0.036 0.000 0.982 199 Y HN 0.088 nan 8.280 nan 0.000 0.515 200 K N -0.203 120.026 120.400 -0.285 0.000 2.097 200 K HA -0.166 4.154 4.320 0.000 0.000 0.206 200 K C 2.340 178.923 176.600 -0.029 0.000 1.049 200 K CA 0.971 57.066 56.287 -0.319 0.000 0.933 200 K CB -0.295 31.857 32.500 -0.580 0.000 0.717 200 K HN 0.275 nan 8.250 nan 0.000 0.442 201 A N 0.741 123.581 122.820 0.033 0.000 1.855 201 A HA -0.179 4.141 4.320 0.000 0.000 0.215 201 A C 1.937 179.626 177.584 0.176 0.000 1.191 201 A CA 1.261 53.366 52.037 0.113 0.000 0.613 201 A CB -0.792 18.325 19.000 0.195 0.000 0.829 201 A HN 0.238 nan 8.150 nan 0.000 0.442 202 Y N -0.213 120.101 120.300 0.022 0.000 2.274 202 Y HA -0.194 4.356 4.550 0.000 0.000 0.290 202 Y C 2.424 178.334 175.900 0.017 0.000 1.145 202 Y CA 1.263 59.343 58.100 -0.035 0.000 1.203 202 Y CB -0.639 37.834 38.460 0.023 0.000 0.984 202 Y HN 0.623 nan 8.280 nan 0.000 0.533 203 H N -0.845 118.296 119.070 0.118 0.000 2.357 203 H HA -0.091 4.465 4.556 0.000 0.000 0.301 203 H C 2.128 177.447 175.328 -0.014 0.000 1.082 203 H CA 1.220 57.290 56.048 0.035 0.000 1.342 203 H CB 0.107 29.872 29.762 0.005 0.000 1.389 203 H HN 0.294 nan 8.280 nan 0.000 0.511 204 A N 1.198 123.987 122.820 -0.053 0.000 1.972 204 A HA -0.064 4.256 4.320 0.000 0.000 0.219 204 A C 2.548 180.051 177.584 -0.136 0.000 1.169 204 A CA 0.921 52.894 52.037 -0.108 0.000 0.635 204 A CB -0.655 18.329 19.000 -0.027 0.000 0.810 204 A HN 0.440 nan 8.150 nan 0.000 0.446 205 L N -1.292 119.857 121.223 -0.123 0.000 2.599 205 L HA 0.138 4.478 4.340 0.000 0.000 0.230 205 L C 1.744 178.497 176.870 -0.195 0.000 1.141 205 L CA 0.539 55.282 54.840 -0.162 0.000 0.877 205 L CB -0.269 41.665 42.059 -0.207 0.000 1.009 205 L HN 0.595 nan 8.230 nan 0.000 0.447 206 G N 0.276 108.954 108.800 -0.203 0.000 2.162 206 G HA2 -0.328 3.632 3.960 0.000 0.000 0.260 206 G HA3 -0.328 3.632 3.960 0.000 0.000 0.260 206 G C 1.001 175.799 174.900 -0.169 0.000 0.976 206 G CA 0.562 45.550 45.100 -0.188 0.000 0.655 206 G HN 0.379 nan 8.290 nan 0.000 0.533 207 K N -0.050 120.212 120.400 -0.231 0.000 2.296 207 K HA 0.432 4.752 4.320 0.000 0.000 0.200 207 K C 1.188 177.754 176.600 -0.056 0.000 1.048 207 K CA 0.995 57.121 56.287 -0.268 0.000 0.966 207 K CB 0.294 32.342 32.500 -0.753 0.000 0.754 207 K HN 0.671 nan 8.250 nan 0.000 0.466 208 A N 0.935 123.778 122.820 0.040 0.000 2.335 208 A HA 0.297 4.617 4.320 0.000 0.000 0.304 208 A C -0.056 177.615 177.584 0.145 0.000 1.118 208 A CA -0.644 51.486 52.037 0.155 0.000 0.757 208 A CB 1.129 20.312 19.000 0.305 0.000 1.188 208 A HN 0.019 nan 8.150 nan 0.000 0.460 209 K N 0.529 120.989 120.400 0.100 0.000 2.365 209 K HA 0.009 4.329 4.320 0.000 0.000 0.197 209 K C 0.866 177.579 176.600 0.187 0.000 1.042 209 K CA 0.907 57.251 56.287 0.095 0.000 0.987 209 K CB 0.138 32.657 32.500 0.032 0.000 0.779 209 K HN 0.807 nan 8.250 nan 0.000 0.484 210 R N -0.275 120.311 120.500 0.143 0.000 2.888 210 R HA 0.465 4.805 4.340 0.000 0.000 0.266 210 R C -1.209 175.051 176.300 -0.066 0.000 1.020 210 R CA -0.830 55.284 56.100 0.023 0.000 0.963 210 R CB 0.936 31.179 30.300 -0.094 0.000 1.197 210 R HN -0.151 nan 8.270 nan 0.000 0.481 211 L N 2.415 123.517 121.223 -0.201 0.000 2.296 211 L HA 0.552 4.892 4.340 0.000 0.000 0.286 211 L C -1.993 174.811 176.870 -0.109 0.000 1.023 211 L CA -2.260 52.479 54.840 -0.168 0.000 0.812 211 L CB 2.093 44.059 42.059 -0.155 0.000 1.223 211 L HN 0.606 nan 8.230 nan 0.000 0.421 212 P HA 0.207 nan 4.420 nan 0.000 0.276 212 P C -1.194 176.023 177.300 -0.139 0.000 1.252 212 P CA -0.633 62.333 63.100 -0.224 0.000 0.802 212 P CB 0.786 32.240 31.700 -0.409 0.000 1.035 213 R N 1.647 122.043 120.500 -0.173 0.000 2.221 213 R HA 0.403 4.743 4.340 0.000 0.000 0.327 213 R C 0.216 176.477 176.300 -0.065 0.000 1.033 213 R CA -0.715 55.295 56.100 -0.149 0.000 0.887 213 R CB 0.409 30.651 30.300 -0.097 0.000 1.057 213 R HN 0.421 nan 8.270 nan 0.000 0.455 214 M N 4.571 124.052 119.600 -0.197 0.000 2.162 214 M HA 0.207 4.687 4.480 0.000 0.000 0.356 214 M C -0.299 175.915 176.300 -0.144 0.000 1.303 214 M CA -0.069 55.144 55.300 -0.146 0.000 1.116 214 M CB 0.373 32.809 32.600 -0.273 0.000 1.632 214 M HN 0.477 nan 8.290 nan 0.000 0.469 215 L N 3.357 124.536 121.223 -0.073 0.000 2.324 215 L HA 0.566 4.906 4.340 0.000 0.000 0.274 215 L C 0.668 177.286 176.870 -0.421 0.000 1.012 215 L CA -0.662 54.052 54.840 -0.210 0.000 0.859 215 L CB 1.137 43.261 42.059 0.108 0.000 1.224 215 L HN 0.787 nan 8.230 nan 0.000 0.429 216 G N 2.047 110.458 108.800 -0.650 0.000 2.389 216 G HA2 0.721 4.681 3.960 0.000 0.000 0.317 216 G HA3 0.721 4.681 3.960 0.000 0.000 0.317 216 G C -1.188 173.155 174.900 -0.929 0.000 1.137 216 G CA -0.228 44.539 45.100 -0.554 0.000 0.870 216 G HN 0.277 nan 8.290 nan 0.000 0.496 217 F N -0.227 119.675 119.950 -0.080 0.000 2.561 217 F HA 0.435 4.962 4.527 0.000 0.000 0.313 217 F C 0.297 176.058 175.800 -0.064 0.000 1.126 217 F CA -0.782 57.180 58.000 -0.063 0.000 0.918 217 F CB 2.412 41.391 39.000 -0.035 0.000 1.199 217 F HN 0.283 nan 8.300 nan 0.000 0.444 218 Q N 1.490 121.341 119.800 0.085 0.000 2.351 218 Q HA 0.798 5.138 4.340 0.000 0.000 0.273 218 Q C -0.651 175.377 176.000 0.047 0.000 1.077 218 Q CA -1.407 54.410 55.803 0.023 0.000 0.843 218 Q CB 2.664 31.374 28.738 -0.048 0.000 1.367 218 Q HN 0.772 nan 8.270 nan 0.000 0.449 219 A N 0.635 123.469 122.820 0.023 0.000 2.425 219 A HA 0.433 4.753 4.320 0.000 0.000 0.249 219 A C 1.007 178.598 177.584 0.012 0.000 1.084 219 A CA 0.457 52.507 52.037 0.022 0.000 0.781 219 A CB 0.381 19.388 19.000 0.011 0.000 1.019 219 A HN 0.923 nan 8.150 nan 0.000 0.490 220 A N 2.373 125.203 122.820 0.015 0.000 1.986 220 A HA -0.005 4.315 4.320 0.000 0.000 0.220 220 A C 2.025 179.611 177.584 0.003 0.000 1.171 220 A CA 2.226 54.269 52.037 0.009 0.000 0.640 220 A CB -0.937 18.068 19.000 0.010 0.000 0.811 220 A HN 1.462 nan 8.150 nan 0.000 0.451 221 G N -1.934 106.868 108.800 0.002 0.000 2.848 221 G HA2 0.357 4.317 3.960 0.000 0.000 0.208 221 G HA3 0.357 4.317 3.960 0.000 0.000 0.208 221 G C 0.477 175.373 174.900 -0.006 0.000 1.152 221 G CA 0.867 45.966 45.100 -0.001 0.000 0.789 221 G HN 1.196 nan 8.290 nan 0.000 0.531 222 A N -0.179 122.636 122.820 -0.009 0.000 3.409 222 A HA 0.709 5.029 4.320 0.000 0.000 0.282 222 A C 0.200 177.768 177.584 -0.027 0.000 1.064 222 A CA 0.277 52.306 52.037 -0.014 0.000 0.889 222 A CB 0.343 19.332 19.000 -0.018 0.000 1.251 222 A HN 0.745 nan 8.150 nan 0.000 0.538 223 A N 2.121 124.924 122.820 -0.028 0.000 3.201 223 A HA 0.634 4.954 4.320 0.000 0.000 0.312 223 A C -1.242 176.296 177.584 -0.076 0.000 1.011 223 A CA -1.021 50.981 52.037 -0.057 0.000 0.987 223 A CB 0.133 19.111 19.000 -0.036 0.000 1.060 223 A HN 0.363 nan 8.150 nan 0.000 0.505 224 P HA -0.190 nan 4.420 nan 0.000 0.216 224 P C 1.416 178.548 177.300 -0.281 0.000 1.150 224 P CA 0.968 64.019 63.100 -0.082 0.000 0.837 224 P CB 0.185 31.869 31.700 -0.026 0.000 0.786 225 L N -1.029 119.884 121.223 -0.517 0.000 2.217 225 L HA -0.073 4.267 4.340 0.000 0.000 0.211 225 L C 2.668 179.380 176.870 -0.263 0.000 1.107 225 L CA 0.804 55.278 54.840 -0.610 0.000 0.783 225 L CB -0.578 41.094 42.059 -0.646 0.000 0.919 225 L HN -0.163 nan 8.230 nan 0.000 0.442 226 V N -0.331 119.478 119.914 -0.176 0.000 2.407 226 V HA -0.198 3.922 4.120 0.000 0.000 0.245 226 V C 2.185 178.256 176.094 -0.038 0.000 1.041 226 V CA 1.267 63.509 62.300 -0.097 0.000 1.040 226 V CB -0.174 31.606 31.823 -0.072 0.000 0.671 226 V HN 0.328 nan 8.190 nan 0.000 0.455 227 L N 0.181 121.396 121.223 -0.015 0.000 2.313 227 L HA 0.186 4.526 4.340 0.000 0.000 0.214 227 L C 1.918 178.835 176.870 0.079 0.000 1.119 227 L CA 1.164 56.023 54.840 0.031 0.000 0.809 227 L CB -0.455 41.628 42.059 0.041 0.000 0.933 227 L HN 0.593 nan 8.230 nan 0.000 0.449 228 G N 0.254 109.134 108.800 0.134 0.000 2.175 228 G HA2 -0.265 3.695 3.960 0.000 0.000 0.244 228 G HA3 -0.265 3.695 3.960 0.000 0.000 0.244 228 G C 0.317 175.436 174.900 0.365 0.000 0.982 228 G CA 0.140 45.392 45.100 0.253 0.000 0.641 228 G HN 0.341 nan 8.290 nan 0.000 0.527 229 R N 0.131 120.845 120.500 0.357 0.000 2.707 229 R HA 0.540 4.880 4.340 0.000 0.000 0.272 229 R C -2.875 173.652 176.300 0.379 0.000 1.011 229 R CA -1.863 54.411 56.100 0.290 0.000 0.893 229 R CB 1.794 32.166 30.300 0.120 0.000 1.233 229 R HN 0.004 nan 8.270 nan 0.000 0.464 230 P HA -0.026 nan 4.420 nan 0.000 0.267 230 P C -1.087 176.312 177.300 0.165 0.000 1.201 230 P CA -0.204 63.069 63.100 0.287 0.000 0.775 230 P CB 0.555 32.343 31.700 0.146 0.000 0.854 231 V N 3.716 123.713 119.914 0.137 0.000 2.357 231 V HA 0.078 4.198 4.120 0.000 0.000 0.284 231 V C 1.337 177.467 176.094 0.059 0.000 1.018 231 V CA -0.149 62.198 62.300 0.078 0.000 0.841 231 V CB 1.151 33.008 31.823 0.056 0.000 0.991 231 V HN 0.564 nan 8.190 nan 0.000 0.437 232 E N 3.484 123.709 120.200 0.040 0.000 2.051 232 E HA -0.058 4.292 4.350 0.000 0.000 0.192 232 E C 0.746 177.354 176.600 0.013 0.000 0.991 232 E CA 1.085 57.500 56.400 0.026 0.000 0.799 232 E CB 0.177 29.887 29.700 0.018 0.000 0.748 232 E HN 0.437 nan 8.360 nan 0.000 0.449 233 R N 1.233 121.736 120.500 0.006 0.000 2.587 233 R HA 0.266 4.606 4.340 0.000 0.000 0.283 233 R C -2.316 173.969 176.300 -0.025 0.000 1.472 233 R CA -1.564 54.527 56.100 -0.015 0.000 1.578 233 R CB 1.167 31.459 30.300 -0.013 0.000 1.130 233 R HN 0.096 nan 8.270 nan 0.000 0.602 234 P HA 0.091 nan 4.420 nan 0.000 0.269 234 P C -0.428 176.827 177.300 -0.074 0.000 1.209 234 P CA 0.197 63.279 63.100 -0.031 0.000 0.776 234 P CB 1.262 32.954 31.700 -0.012 0.000 0.876 235 E N 0.354 120.523 120.200 -0.053 0.000 2.343 235 E HA 0.593 4.943 4.350 0.000 0.000 0.278 235 E C -0.787 175.800 176.600 -0.021 0.000 0.910 235 E CA -0.471 55.895 56.400 -0.057 0.000 0.757 235 E CB 2.606 32.288 29.700 -0.030 0.000 1.218 235 E HN 0.501 nan 8.360 nan 0.000 0.435 236 T N 0.119 114.672 114.554 -0.003 0.000 3.121 236 T HA 0.102 4.452 4.350 0.000 0.000 0.377 236 T C -0.237 174.486 174.700 0.040 0.000 1.820 236 T CA -0.516 61.593 62.100 0.015 0.000 1.098 236 T CB 0.246 69.116 68.868 0.004 0.000 1.681 236 T HN 0.394 nan 8.240 nan 0.000 0.492 237 L N 2.053 123.293 121.223 0.030 0.000 2.465 237 L HA 0.661 5.001 4.340 0.000 0.000 0.224 237 L C 1.495 178.368 176.870 0.005 0.000 1.145 237 L CA 1.482 56.339 54.840 0.027 0.000 0.834 237 L CB -0.637 41.423 42.059 0.002 0.000 0.944 237 L HN 0.635 nan 8.230 nan 0.000 0.451 238 A N 0.400 123.218 122.820 -0.003 0.000 3.126 238 A HA 0.379 4.699 4.320 0.000 0.000 0.268 238 A C 1.616 179.205 177.584 0.008 0.000 1.605 238 A CA 0.247 52.276 52.037 -0.014 0.000 1.305 238 A CB -1.236 17.756 19.000 -0.014 0.000 1.160 238 A HN 0.522 nan 8.150 nan 0.000 0.609 239 T N -1.831 112.743 114.554 0.034 0.000 2.848 239 T HA -0.224 4.126 4.350 0.000 0.000 0.269 239 T C 1.748 176.460 174.700 0.019 0.000 1.081 239 T CA 1.642 63.779 62.100 0.061 0.000 1.125 239 T CB -0.375 68.571 68.868 0.129 0.000 0.848 239 T HN 0.764 nan 8.240 nan 0.000 0.503 240 A N 2.239 125.059 122.820 -0.000 0.000 1.978 240 A HA 0.157 4.477 4.320 0.000 0.000 0.220 240 A C 2.200 179.740 177.584 -0.074 0.000 1.170 240 A CA 1.358 53.377 52.037 -0.031 0.000 0.636 240 A CB -0.735 18.262 19.000 -0.004 0.000 0.810 240 A HN 0.941 nan 8.150 nan 0.000 0.448 241 I N -4.344 116.197 120.570 -0.049 0.000 3.762 241 I HA 0.368 4.538 4.170 0.000 0.000 0.333 241 I C 0.683 176.767 176.117 -0.056 0.000 1.566 241 I CA -0.420 60.840 61.300 -0.067 0.000 1.129 241 I CB 0.139 38.119 38.000 -0.033 0.000 1.218 241 I HN 0.071 nan 8.210 nan 0.000 0.456 242 R N 2.634 123.105 120.500 -0.049 0.000 4.154 242 R HA 0.452 4.792 4.340 0.000 0.000 0.186 242 R C -0.920 175.376 176.300 -0.006 0.000 1.750 242 R CA -0.022 56.057 56.100 -0.035 0.000 1.431 242 R CB -0.206 30.066 30.300 -0.047 0.000 1.383 242 R HN 0.500 nan 8.270 nan 0.000 0.788 243 I N 0.540 121.110 120.570 -0.001 0.000 2.465 243 I HA 0.276 4.446 4.170 0.000 0.000 0.291 243 I C 0.982 177.145 176.117 0.077 0.000 1.014 243 I CA -0.656 60.692 61.300 0.080 0.000 1.093 243 I CB 2.327 40.330 38.000 0.006 0.000 1.267 243 I HN 0.429 nan 8.210 nan 0.000 0.431 244 G N 3.352 112.225 108.800 0.122 0.000 3.044 244 G HA2 -0.010 3.950 3.960 0.000 0.000 0.223 244 G HA3 -0.010 3.950 3.960 0.000 0.000 0.223 244 G C 0.304 175.309 174.900 0.174 0.000 1.123 244 G CA 0.147 45.312 45.100 0.107 0.000 0.765 244 G HN 0.522 nan 8.290 nan 0.000 0.546 245 N N 0.782 119.610 118.700 0.214 0.000 2.722 245 N HA 0.277 5.017 4.740 0.000 0.000 0.242 245 N C -2.923 172.770 175.510 0.306 0.000 1.398 245 N CA -1.404 51.828 53.050 0.303 0.000 0.755 245 N CB 1.776 40.388 38.487 0.208 0.000 1.268 245 N HN -0.100 nan 8.380 nan 0.000 0.522 246 P HA 0.056 nan 4.420 nan 0.000 0.263 246 P C 0.537 178.002 177.300 0.276 0.000 1.195 246 P CA -0.004 63.221 63.100 0.210 0.000 0.762 246 P CB 1.273 32.988 31.700 0.024 0.000 0.799 247 A N 3.918 126.869 122.820 0.217 0.000 1.933 247 A HA -0.100 4.220 4.320 0.000 0.000 0.218 247 A C 1.872 179.559 177.584 0.171 0.000 1.175 247 A CA 1.394 53.539 52.037 0.181 0.000 0.628 247 A CB -0.874 18.218 19.000 0.152 0.000 0.814 247 A HN 0.552 nan 8.150 nan 0.000 0.444 248 S N -0.652 115.137 115.700 0.149 0.000 2.677 248 S HA 0.037 4.507 4.470 0.000 0.000 0.246 248 S C 0.817 175.512 174.600 0.158 0.000 1.005 248 S CA -0.681 57.595 58.200 0.127 0.000 1.062 248 S CB -0.435 62.813 63.200 0.079 0.000 0.778 248 S HN 0.637 nan 8.310 nan 0.000 0.461 249 W N 2.769 124.078 121.300 0.014 0.000 2.298 249 W HA -0.242 4.418 4.660 -0.000 0.000 0.328 249 W C 1.495 178.011 176.519 -0.005 0.000 1.259 249 W CA 1.800 59.147 57.345 0.002 0.000 1.251 249 W CB -0.558 28.905 29.460 0.006 0.000 1.161 249 W HN 0.382 nan 8.180 nan 0.000 0.466 250 Q N -0.476 119.552 119.800 0.380 0.000 2.124 250 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 250 Q C 2.409 178.493 176.000 0.140 0.000 0.977 250 Q CA 1.887 57.831 55.803 0.235 0.000 0.850 250 Q CB -1.436 27.386 28.738 0.140 0.000 0.901 250 Q HN 0.463 nan 8.270 nan 0.000 0.429 251 G N 0.804 109.674 108.800 0.117 0.000 2.418 251 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 251 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 251 G C 1.574 176.501 174.900 0.045 0.000 1.158 251 G CA 1.229 46.380 45.100 0.086 0.000 0.771 251 G HN 0.466 nan 8.290 nan 0.000 0.545 252 A N 0.097 122.918 122.820 0.002 0.000 1.898 252 A HA 0.101 4.421 4.320 0.000 0.000 0.216 252 A C 2.586 180.104 177.584 -0.109 0.000 1.181 252 A CA 1.781 53.766 52.037 -0.087 0.000 0.620 252 A CB -0.605 18.300 19.000 -0.158 0.000 0.819 252 A HN 0.259 nan 8.150 nan 0.000 0.442 253 V N 0.146 120.029 119.914 -0.051 0.000 2.407 253 V HA -0.249 3.871 4.120 0.000 0.000 0.248 253 V C 2.619 178.686 176.094 -0.045 0.000 1.055 253 V CA 2.116 64.394 62.300 -0.038 0.000 1.049 253 V CB -0.842 31.027 31.823 0.077 0.000 0.662 253 V HN 0.507 nan 8.190 nan 0.000 0.455 254 R N 0.172 120.669 120.500 -0.006 0.000 2.075 254 R HA -0.057 4.283 4.340 0.000 0.000 0.232 254 R C 2.477 178.717 176.300 -0.099 0.000 1.126 254 R CA 1.382 57.486 56.100 0.005 0.000 0.963 254 R CB -0.574 29.777 30.300 0.085 0.000 0.858 254 R HN 0.523 nan 8.270 nan 0.000 0.435 255 A N 1.789 124.505 122.820 -0.174 0.000 1.902 255 A HA -0.212 4.108 4.320 0.000 0.000 0.217 255 A C 2.106 179.290 177.584 -0.667 0.000 1.181 255 A CA 1.476 53.165 52.037 -0.579 0.000 0.623 255 A CB -0.400 18.405 19.000 -0.326 0.000 0.818 255 A HN 0.223 nan 8.150 nan 0.000 0.443 256 K N -0.130 120.042 120.400 -0.381 0.000 2.009 256 K HA -0.225 4.095 4.320 0.000 0.000 0.210 256 K C 1.958 178.381 176.600 -0.295 0.000 1.049 256 K CA 1.899 57.990 56.287 -0.327 0.000 0.929 256 K CB -0.253 32.109 32.500 -0.231 0.000 0.714 256 K HN 0.643 nan 8.250 nan 0.000 0.440 257 E N 0.414 120.488 120.200 -0.209 0.000 2.017 257 E HA -0.201 4.149 4.350 0.000 0.000 0.193 257 E C 2.115 178.627 176.600 -0.148 0.000 0.997 257 E CA 1.579 57.897 56.400 -0.138 0.000 0.804 257 E CB -0.061 29.600 29.700 -0.066 0.000 0.757 257 E HN 0.401 nan 8.360 nan 0.000 0.448 258 E N 0.395 120.505 120.200 -0.149 0.000 2.118 258 E HA -0.166 4.184 4.350 0.000 0.000 0.195 258 E C 2.135 178.651 176.600 -0.140 0.000 0.992 258 E CA 1.485 57.870 56.400 -0.025 0.000 0.804 258 E CB -0.026 29.835 29.700 0.268 0.000 0.741 258 E HN 0.184 nan 8.360 nan 0.000 0.458 259 S N -0.918 114.400 115.700 -0.637 0.000 2.528 259 S HA 0.136 4.606 4.470 0.000 0.000 0.219 259 S C 1.491 175.898 174.600 -0.323 0.000 0.985 259 S CA 0.316 58.090 58.200 -0.709 0.000 0.914 259 S CB 0.528 62.925 63.200 -1.337 0.000 0.776 259 S HN 0.332 nan 8.310 nan 0.000 0.526 260 G N 0.532 109.186 108.800 -0.244 0.000 2.225 260 G HA2 -0.028 3.932 3.960 0.000 0.000 0.264 260 G HA3 -0.028 3.932 3.960 0.000 0.000 0.264 260 G C 0.395 175.216 174.900 -0.131 0.000 1.060 260 G CA 0.091 45.106 45.100 -0.141 0.000 0.833 260 G HN 1.029 nan 8.290 nan 0.000 0.498 261 G N -1.745 106.942 108.800 -0.189 0.000 2.940 261 G HA2 0.994 4.954 3.960 0.000 0.000 0.164 261 G HA3 0.994 4.954 3.960 0.000 0.000 0.164 261 G C 0.127 174.938 174.900 -0.149 0.000 1.326 261 G CA 0.572 45.584 45.100 -0.146 0.000 1.020 261 G HN 1.767 nan 8.290 nan 0.000 0.586 262 V N -3.142 116.654 119.914 -0.197 0.000 3.232 262 V HA 0.767 4.887 4.120 0.000 0.000 0.303 262 V C -1.280 174.605 176.094 -0.348 0.000 1.311 262 V CA -1.092 61.074 62.300 -0.223 0.000 1.061 262 V CB 1.911 33.630 31.823 -0.174 0.000 1.085 262 V HN 0.635 nan 8.190 nan 0.000 0.447 263 I N 1.516 121.897 120.570 -0.315 0.000 2.517 263 I HA 0.574 4.744 4.170 0.000 0.000 0.280 263 I C -0.431 175.521 176.117 -0.274 0.000 1.061 263 I CA -0.030 61.053 61.300 -0.363 0.000 1.091 263 I CB 1.631 39.456 38.000 -0.292 0.000 1.205 263 I HN 0.832 nan 8.210 nan 0.000 0.459 264 E N 3.469 123.485 120.200 -0.308 0.000 2.393 264 E HA 0.828 5.178 4.350 0.000 0.000 0.265 264 E C -0.766 175.869 176.600 0.057 0.000 0.941 264 E CA -0.982 55.373 56.400 -0.074 0.000 0.801 264 E CB 2.538 32.263 29.700 0.042 0.000 1.313 264 E HN 0.556 nan 8.360 nan 0.000 0.435 265 A N 0.601 123.471 122.820 0.084 0.000 2.306 265 A HA 0.713 5.033 4.320 0.000 0.000 0.330 265 A C -0.656 176.998 177.584 0.116 0.000 1.146 265 A CA -0.596 51.495 52.037 0.090 0.000 0.827 265 A CB 0.850 19.869 19.000 0.031 0.000 1.178 265 A HN 0.360 nan 8.150 nan 0.000 0.490 266 V N -0.749 119.217 119.914 0.088 0.000 2.841 266 V HA 0.787 4.907 4.120 0.000 0.000 0.310 266 V C 0.091 176.201 176.094 0.026 0.000 1.090 266 V CA -0.158 62.166 62.300 0.042 0.000 0.930 266 V CB 0.860 32.690 31.823 0.012 0.000 1.014 266 V HN 1.254 nan 8.190 nan 0.000 0.425 267 T N -0.795 113.764 114.554 0.009 0.000 2.813 267 T HA 0.228 4.578 4.350 0.000 0.000 0.297 267 T C 0.607 175.317 174.700 0.017 0.000 1.036 267 T CA 0.336 62.441 62.100 0.009 0.000 1.044 267 T CB 0.850 69.716 68.868 -0.003 0.000 0.993 267 T HN 0.717 nan 8.240 nan 0.000 0.535 268 D N -0.075 120.335 120.400 0.017 0.000 2.144 268 D HA -0.095 4.545 4.640 0.000 0.000 0.199 268 D C 1.922 178.242 176.300 0.033 0.000 0.984 268 D CA 1.406 55.418 54.000 0.020 0.000 0.834 268 D CB -0.225 40.584 40.800 0.016 0.000 0.955 268 D HN 0.908 nan 8.370 nan 0.000 0.465 269 E N 0.700 120.918 120.200 0.031 0.000 2.077 269 E HA -0.202 4.148 4.350 0.000 0.000 0.193 269 E C 1.650 178.294 176.600 0.073 0.000 0.989 269 E CA 1.018 57.446 56.400 0.047 0.000 0.800 269 E CB 0.072 29.786 29.700 0.024 0.000 0.746 269 E HN 0.291 nan 8.360 nan 0.000 0.452 270 E N 0.268 120.489 120.200 0.034 0.000 2.106 270 E HA -0.156 4.194 4.350 0.000 0.000 0.192 270 E C 2.161 178.835 176.600 0.124 0.000 0.984 270 E CA 1.108 57.526 56.400 0.031 0.000 0.806 270 E CB -0.040 29.643 29.700 -0.028 0.000 0.750 270 E HN 0.397 nan 8.360 nan 0.000 0.458 271 I N 0.862 121.490 120.570 0.096 0.000 2.179 271 I HA -0.296 3.874 4.170 0.000 0.000 0.242 271 I C 2.302 178.523 176.117 0.173 0.000 1.088 271 I CA 1.034 62.402 61.300 0.113 0.000 1.357 271 I CB -0.201 37.830 38.000 0.051 0.000 1.051 271 I HN 0.135 nan 8.210 nan 0.000 0.409 272 L N -0.385 120.927 121.223 0.148 0.000 2.046 272 L HA -0.253 4.087 4.340 0.000 0.000 0.208 272 L C 2.583 179.627 176.870 0.289 0.000 1.077 272 L CA 1.419 56.379 54.840 0.200 0.000 0.747 272 L CB -0.584 41.559 42.059 0.139 0.000 0.896 272 L HN 0.206 nan 8.230 nan 0.000 0.432 273 F N 0.759 120.773 119.950 0.106 0.000 2.095 273 F HA -0.269 4.258 4.527 0.000 0.000 0.298 273 F C 2.440 178.342 175.800 0.170 0.000 1.104 273 F CA 1.488 59.530 58.000 0.071 0.000 1.232 273 F CB -0.266 38.695 39.000 -0.064 0.000 0.987 273 F HN 0.003 nan 8.300 nan 0.000 0.475 274 A N -0.711 122.400 122.820 0.484 0.000 1.933 274 A HA -0.234 4.086 4.320 0.000 0.000 0.218 274 A C 2.096 179.911 177.584 0.386 0.000 1.175 274 A CA 1.579 53.931 52.037 0.525 0.000 0.628 274 A CB -1.662 17.606 19.000 0.447 0.000 0.814 274 A HN 0.646 nan 8.150 nan 0.000 0.444 275 Y N 0.720 121.127 120.300 0.178 0.000 2.097 275 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 275 Y C 2.469 178.428 175.900 0.098 0.000 1.152 275 Y CA 2.544 60.726 58.100 0.137 0.000 1.136 275 Y CB -0.370 38.166 38.460 0.127 0.000 0.975 275 Y HN 0.287 nan 8.280 nan 0.000 0.498 276 R N -0.407 120.123 120.500 0.051 0.000 2.075 276 R HA -0.209 4.131 4.340 0.000 0.000 0.232 276 R C 2.225 178.423 176.300 -0.170 0.000 1.126 276 R CA 1.911 57.923 56.100 -0.147 0.000 0.963 276 R CB -1.551 28.682 30.300 -0.111 0.000 0.858 276 R HN 0.567 nan 8.270 nan 0.000 0.435 277 Y N 0.586 120.766 120.300 -0.199 0.000 2.128 277 Y HA -0.195 4.355 4.550 0.000 0.000 0.284 277 Y C 1.681 177.538 175.900 -0.072 0.000 1.154 277 Y CA 2.063 60.080 58.100 -0.138 0.000 1.149 277 Y CB -0.339 38.139 38.460 0.030 0.000 0.976 277 Y HN 0.080 nan 8.280 nan 0.000 0.505 278 L N -0.405 120.702 121.223 -0.194 0.000 2.046 278 L HA -0.213 4.127 4.340 0.000 0.000 0.208 278 L C 2.775 179.464 176.870 -0.303 0.000 1.077 278 L CA 1.231 55.909 54.840 -0.269 0.000 0.747 278 L CB -0.975 41.055 42.059 -0.049 0.000 0.896 278 L HN 0.365 nan 8.230 nan 0.000 0.432 279 A N -0.262 122.404 122.820 -0.256 0.000 1.872 279 A HA -0.186 4.134 4.320 0.000 0.000 0.214 279 A C 2.456 179.875 177.584 -0.276 0.000 1.187 279 A CA 1.362 53.247 52.037 -0.253 0.000 0.614 279 A CB -0.461 18.346 19.000 -0.323 0.000 0.826 279 A HN 0.281 nan 8.150 nan 0.000 0.442 280 R N -0.928 119.397 120.500 -0.292 0.000 2.090 280 R HA -0.073 4.267 4.340 0.000 0.000 0.228 280 R C 1.789 177.932 176.300 -0.261 0.000 1.110 280 R CA 1.666 57.617 56.100 -0.248 0.000 0.973 280 R CB -0.040 30.133 30.300 -0.212 0.000 0.869 280 R HN 0.500 nan 8.270 nan 0.000 0.440 281 E N -0.554 119.406 120.200 -0.400 0.000 2.201 281 E HA -0.012 4.338 4.350 0.000 0.000 0.193 281 E C 1.317 177.696 176.600 -0.369 0.000 0.957 281 E CA 0.623 56.784 56.400 -0.398 0.000 0.858 281 E CB 0.535 29.896 29.700 -0.564 0.000 0.816 281 E HN 0.175 nan 8.360 nan 0.000 0.475 282 E N -1.052 118.879 120.200 -0.447 0.000 2.431 282 E HA 0.159 4.509 4.350 0.000 0.000 0.200 282 E C 0.862 177.330 176.600 -0.220 0.000 0.995 282 E CA 0.692 56.912 56.400 -0.300 0.000 0.915 282 E CB 1.003 30.518 29.700 -0.307 0.000 0.930 282 E HN 0.267 nan 8.360 nan 0.000 0.496 283 G N 2.019 110.687 108.800 -0.221 0.000 2.136 283 G HA2 -0.269 3.691 3.960 0.000 0.000 0.242 283 G HA3 -0.269 3.691 3.960 0.000 0.000 0.242 283 G C 0.213 175.019 174.900 -0.156 0.000 0.989 283 G CA 0.293 45.296 45.100 -0.162 0.000 0.682 283 G HN 0.231 nan 8.290 nan 0.000 0.522 284 I N 0.340 120.787 120.570 -0.205 0.000 2.355 284 I HA 0.471 4.641 4.170 0.000 0.000 0.288 284 I C -0.443 175.604 176.117 -0.117 0.000 0.999 284 I CA -1.093 60.045 61.300 -0.269 0.000 1.163 284 I CB 1.292 39.044 38.000 -0.413 0.000 1.316 284 I HN 0.020 nan 8.210 nan 0.000 0.454 285 F N 8.509 128.314 119.950 -0.240 0.000 2.334 285 F HA 0.514 5.041 4.527 -0.000 0.000 0.367 285 F C 0.165 175.908 175.800 -0.096 0.000 1.115 285 F CA -1.494 56.406 58.000 -0.166 0.000 1.116 285 F CB 0.429 39.374 39.000 -0.092 0.000 1.230 285 F HN 0.570 nan 8.300 nan 0.000 0.484 286 C N 4.151 123.391 119.300 -0.101 0.000 2.719 286 C HA 0.822 5.282 4.460 0.000 0.000 0.327 286 C C -0.117 174.843 174.990 -0.049 0.000 1.238 286 C CA -0.951 58.018 59.018 -0.080 0.000 1.727 286 C CB 1.119 28.919 27.740 0.100 0.000 2.256 286 C HN 0.875 nan 8.230 nan 0.000 0.489 287 E N 1.694 121.879 120.200 -0.025 0.000 2.392 287 E HA 0.294 4.644 4.350 0.000 0.000 0.256 287 E C -2.038 174.608 176.600 0.076 0.000 1.145 287 E CA -0.898 55.518 56.400 0.027 0.000 0.929 287 E CB 0.191 29.884 29.700 -0.010 0.000 0.998 287 E HN 0.410 nan 8.360 nan 0.000 0.442 288 P HA -0.334 nan 4.420 nan 0.000 0.217 288 P C 1.274 178.566 177.300 -0.013 0.000 1.162 288 P CA 2.703 65.694 63.100 -0.183 0.000 0.901 288 P CB -0.116 31.415 31.700 -0.282 0.000 0.793 289 A N -0.829 121.993 122.820 0.003 0.000 1.892 289 A HA -0.252 4.068 4.320 0.000 0.000 0.218 289 A C 2.348 179.976 177.584 0.074 0.000 1.188 289 A CA 2.604 54.663 52.037 0.037 0.000 0.631 289 A CB -1.672 17.350 19.000 0.037 0.000 0.822 289 A HN 0.180 nan 8.150 nan 0.000 0.447 290 S N -0.085 115.672 115.700 0.096 0.000 2.383 290 S HA -0.067 4.403 4.470 0.000 0.000 0.229 290 S C 2.179 176.852 174.600 0.122 0.000 1.030 290 S CA 1.167 59.439 58.200 0.120 0.000 1.002 290 S CB -0.483 62.801 63.200 0.139 0.000 0.829 290 S HN 0.850 nan 8.310 nan 0.000 0.467 291 A N 1.292 124.198 122.820 0.144 0.000 2.121 291 A HA 0.236 4.556 4.320 0.000 0.000 0.218 291 A C 2.248 179.903 177.584 0.118 0.000 1.154 291 A CA 1.302 53.441 52.037 0.170 0.000 0.679 291 A CB -0.795 18.370 19.000 0.274 0.000 0.795 291 A HN 0.501 nan 8.150 nan 0.000 0.458 292 A N 0.030 122.902 122.820 0.088 0.000 1.972 292 A HA 0.135 4.455 4.320 0.000 0.000 0.219 292 A C 2.428 180.010 177.584 -0.003 0.000 1.169 292 A CA 1.869 53.939 52.037 0.056 0.000 0.635 292 A CB -0.823 18.226 19.000 0.082 0.000 0.810 292 A HN 0.985 nan 8.150 nan 0.000 0.446 293 A N -0.801 122.049 122.820 0.049 0.000 1.865 293 A HA -0.153 4.167 4.320 0.000 0.000 0.217 293 A C 2.173 179.681 177.584 -0.127 0.000 1.191 293 A CA 2.306 54.368 52.037 0.043 0.000 0.623 293 A CB -0.493 18.567 19.000 0.099 0.000 0.826 293 A HN 0.559 nan 8.150 nan 0.000 0.444 294 M N 0.129 119.693 119.600 -0.060 0.000 2.175 294 M HA 0.048 4.528 4.480 0.000 0.000 0.264 294 M C 2.100 178.327 176.300 -0.121 0.000 1.063 294 M CA 1.517 56.749 55.300 -0.112 0.000 1.119 294 M CB -0.664 31.944 32.600 0.013 0.000 1.377 294 M HN 0.377 nan 8.290 nan 0.000 0.415 295 A N -0.464 122.344 122.820 -0.021 0.000 1.940 295 A HA 0.003 4.323 4.320 0.000 0.000 0.219 295 A C 2.343 179.771 177.584 -0.261 0.000 1.176 295 A CA 1.792 53.846 52.037 0.028 0.000 0.631 295 A CB -1.782 17.227 19.000 0.016 0.000 0.814 295 A HN 0.599 nan 8.150 nan 0.000 0.446 296 G N -0.602 107.741 108.800 -0.760 0.000 2.418 296 G HA2 -0.106 3.854 3.960 0.000 0.000 0.217 296 G HA3 -0.106 3.854 3.960 0.000 0.000 0.217 296 G C 1.509 175.921 174.900 -0.814 0.000 1.158 296 G CA 1.199 45.310 45.100 -1.649 0.000 0.771 296 G HN 0.318 nan 8.290 nan 0.000 0.545 297 V N 0.282 119.869 119.914 -0.544 0.000 2.332 297 V HA -0.157 3.963 4.120 0.000 0.000 0.248 297 V C 2.466 178.409 176.094 -0.252 0.000 1.055 297 V CA 1.684 63.785 62.300 -0.331 0.000 1.038 297 V CB -0.656 30.962 31.823 -0.341 0.000 0.651 297 V HN 0.398 nan 8.190 nan 0.000 0.450 298 F N 0.323 120.130 119.950 -0.239 0.000 2.095 298 F HA -0.232 4.295 4.527 0.000 0.000 0.298 298 F C 2.573 178.253 175.800 -0.201 0.000 1.104 298 F CA 2.115 59.989 58.000 -0.210 0.000 1.232 298 F CB -0.199 38.679 39.000 -0.204 0.000 0.987 298 F HN 0.037 nan 8.300 nan 0.000 0.475 299 K N 0.339 120.732 120.400 -0.012 0.000 2.032 299 K HA -0.223 4.097 4.320 0.000 0.000 0.209 299 K C 1.931 178.507 176.600 -0.040 0.000 1.048 299 K CA 1.465 57.721 56.287 -0.052 0.000 0.927 299 K CB -0.266 32.190 32.500 -0.073 0.000 0.712 299 K HN 0.125 nan 8.250 nan 0.000 0.441 300 L N 1.255 122.446 121.223 -0.054 0.000 2.093 300 L HA -0.100 4.240 4.340 0.000 0.000 0.208 300 L C 2.184 179.012 176.870 -0.071 0.000 1.085 300 L CA 1.293 56.104 54.840 -0.048 0.000 0.755 300 L CB -0.493 41.533 42.059 -0.056 0.000 0.904 300 L HN 0.217 nan 8.230 nan 0.000 0.435 301 L N -1.245 119.929 121.223 -0.082 0.000 2.046 301 L HA -0.243 4.097 4.340 0.000 0.000 0.208 301 L C 2.733 179.579 176.870 -0.041 0.000 1.077 301 L CA 1.112 55.909 54.840 -0.070 0.000 0.747 301 L CB -0.371 41.651 42.059 -0.062 0.000 0.896 301 L HN 0.199 nan 8.230 nan 0.000 0.432 302 R N 0.274 120.756 120.500 -0.030 0.000 2.096 302 R HA -0.163 4.177 4.340 0.000 0.000 0.235 302 R C 1.676 177.953 176.300 -0.038 0.000 1.127 302 R CA 1.404 57.481 56.100 -0.039 0.000 0.968 302 R CB 0.050 30.317 30.300 -0.055 0.000 0.861 302 R HN 0.425 nan 8.270 nan 0.000 0.440 303 E N -1.321 118.858 120.200 -0.034 0.000 2.465 303 E HA 0.128 4.478 4.350 0.000 0.000 0.191 303 E C 0.454 177.039 176.600 -0.025 0.000 1.053 303 E CA 0.343 56.727 56.400 -0.027 0.000 0.869 303 E CB 0.837 30.525 29.700 -0.019 0.000 0.977 303 E HN 0.514 nan 8.360 nan 0.000 0.483 304 G N 2.541 111.321 108.800 -0.032 0.000 2.249 304 G HA2 -0.358 3.602 3.960 0.000 0.000 0.273 304 G HA3 -0.358 3.602 3.960 0.000 0.000 0.273 304 G C 0.651 175.534 174.900 -0.029 0.000 1.036 304 G CA 0.355 45.436 45.100 -0.031 0.000 0.824 304 G HN 0.283 nan 8.290 nan 0.000 0.504 305 R N -1.009 119.466 120.500 -0.041 0.000 2.356 305 R HA 0.380 4.720 4.340 0.000 0.000 0.234 305 R C 0.629 176.883 176.300 -0.077 0.000 0.929 305 R CA 0.066 56.146 56.100 -0.033 0.000 1.084 305 R CB 0.347 30.635 30.300 -0.019 0.000 1.105 305 R HN 0.414 nan 8.270 nan 0.000 0.515 306 L N 1.568 122.713 121.223 -0.129 0.000 2.325 306 L HA 0.288 4.628 4.340 0.000 0.000 0.281 306 L C -0.104 176.740 176.870 -0.043 0.000 1.004 306 L CA -0.692 53.998 54.840 -0.250 0.000 0.823 306 L CB 1.973 43.806 42.059 -0.377 0.000 1.236 306 L HN 0.071 nan 8.230 nan 0.000 0.415 307 E N 4.187 124.466 120.200 0.131 0.000 2.414 307 E HA 0.097 4.447 4.350 0.000 0.000 0.263 307 E C -2.247 174.371 176.600 0.030 0.000 1.000 307 E CA -1.665 54.792 56.400 0.095 0.000 0.914 307 E CB 0.189 29.962 29.700 0.122 0.000 0.948 307 E HN 0.286 nan 8.360 nan 0.000 0.444 308 P HA -0.096 nan 4.420 nan 0.000 0.268 308 P C -0.429 176.845 177.300 -0.042 0.000 1.208 308 P CA 0.410 63.498 63.100 -0.020 0.000 0.777 308 P CB 0.435 32.127 31.700 -0.013 0.000 0.875 309 E N -1.845 118.329 120.200 -0.044 0.000 3.170 309 E HA -0.160 4.190 4.350 0.000 0.000 0.284 309 E C -0.329 176.184 176.600 -0.144 0.000 0.967 309 E CA 0.925 57.291 56.400 -0.057 0.000 0.919 309 E CB -2.209 27.468 29.700 -0.040 0.000 1.469 309 E HN 0.385 nan 8.360 nan 0.000 0.444 310 S N 0.018 115.625 115.700 -0.154 0.000 2.652 310 S HA 0.453 4.923 4.470 0.000 0.000 0.270 310 S C 0.378 174.981 174.600 0.005 0.000 1.243 310 S CA -0.252 57.773 58.200 -0.291 0.000 0.999 310 S CB 1.642 64.867 63.200 0.042 0.000 0.973 310 S HN 0.111 nan 8.310 nan 0.000 0.544 311 T N 2.040 116.738 114.554 0.240 0.000 2.794 311 T HA 0.536 4.886 4.350 0.000 0.000 0.280 311 T C -0.848 174.074 174.700 0.369 0.000 0.987 311 T CA -0.399 61.926 62.100 0.375 0.000 0.993 311 T CB 0.852 69.975 68.868 0.425 0.000 0.939 311 T HN 0.307 nan 8.240 nan 0.000 0.449 312 V N 4.370 124.456 119.914 0.286 0.000 2.444 312 V HA 0.488 4.608 4.120 0.000 0.000 0.294 312 V C -0.239 175.950 176.094 0.159 0.000 1.022 312 V CA -0.789 61.640 62.300 0.215 0.000 0.850 312 V CB 1.868 33.747 31.823 0.094 0.000 0.992 312 V HN 0.658 nan 8.190 nan 0.000 0.426 313 V N 6.235 126.168 119.914 0.031 0.000 2.483 313 V HA 0.553 4.673 4.120 0.000 0.000 0.295 313 V C -0.518 175.441 176.094 -0.225 0.000 1.035 313 V CA -0.566 61.664 62.300 -0.117 0.000 0.896 313 V CB 1.765 33.389 31.823 -0.332 0.000 0.986 313 V HN 0.620 nan 8.190 nan 0.000 0.447 314 L N 3.435 124.615 121.223 -0.072 0.000 2.341 314 L HA 0.528 4.868 4.340 0.000 0.000 0.278 314 L C 0.388 177.322 176.870 0.107 0.000 1.005 314 L CA 0.018 54.873 54.840 0.025 0.000 0.818 314 L CB 1.944 44.026 42.059 0.039 0.000 1.259 314 L HN 0.542 nan 8.230 nan 0.000 0.418 315 T N 4.442 119.129 114.554 0.223 0.000 2.811 315 T HA 0.422 4.772 4.350 0.000 0.000 0.309 315 T C 0.227 175.028 174.700 0.169 0.000 1.005 315 T CA -0.249 62.005 62.100 0.258 0.000 0.955 315 T CB -0.161 68.898 68.868 0.319 0.000 0.970 315 T HN 0.276 nan 8.240 nan 0.000 0.496 316 L N 4.641 125.978 121.223 0.190 0.000 2.356 316 L HA 0.163 4.503 4.340 0.000 0.000 0.282 316 L C 2.217 179.230 176.870 0.239 0.000 1.132 316 L CA -0.524 54.435 54.840 0.199 0.000 0.923 316 L CB 0.116 42.305 42.059 0.217 0.000 1.278 316 L HN 0.781 nan 8.230 nan 0.000 0.436 317 T N -0.716 113.968 114.554 0.218 0.000 2.699 317 T HA -0.079 4.271 4.350 0.000 0.000 0.268 317 T C 0.901 175.797 174.700 0.328 0.000 1.036 317 T CA 0.941 63.251 62.100 0.350 0.000 1.147 317 T CB -0.080 69.019 68.868 0.385 0.000 0.862 317 T HN 0.590 nan 8.240 nan 0.000 0.446 318 G N -0.251 108.668 108.800 0.198 0.000 2.612 318 G HA2 0.495 4.455 3.960 0.000 0.000 0.298 318 G HA3 0.495 4.455 3.960 0.000 0.000 0.298 318 G C -1.436 173.510 174.900 0.078 0.000 1.336 318 G CA -0.731 44.440 45.100 0.119 0.000 0.953 318 G HN 0.349 nan 8.290 nan 0.000 0.482 319 H N 0.514 119.555 119.070 -0.049 0.000 2.790 319 H HA 0.152 4.708 4.556 0.000 0.000 0.358 319 H C 1.723 176.904 175.328 -0.244 0.000 1.103 319 H CA 1.029 57.017 56.048 -0.099 0.000 1.426 319 H CB 1.595 31.287 29.762 -0.118 0.000 1.424 319 H HN 0.553 nan 8.280 nan 0.000 0.599 320 G N 4.146 112.618 108.800 -0.546 0.000 2.432 320 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 320 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 320 G C 1.848 176.399 174.900 -0.582 0.000 1.135 320 G CA 0.314 44.578 45.100 -1.395 0.000 0.767 320 G HN 0.644 nan 8.290 nan 0.000 0.550 321 L N 0.039 121.324 121.223 0.102 0.000 2.447 321 L HA -0.052 4.288 4.340 0.000 0.000 0.225 321 L C 2.712 179.626 176.870 0.074 0.000 1.148 321 L CA 0.577 55.525 54.840 0.180 0.000 0.808 321 L CB -0.178 41.907 42.059 0.043 0.000 0.928 321 L HN 0.111 nan 8.230 nan 0.000 0.448 322 K N -0.165 120.253 120.400 0.030 0.000 2.147 322 K HA -0.129 4.191 4.320 0.000 0.000 0.205 322 K C 0.404 177.026 176.600 0.036 0.000 1.049 322 K CA 0.973 57.274 56.287 0.023 0.000 0.936 322 K CB -0.152 32.357 32.500 0.014 0.000 0.722 322 K HN 0.188 nan 8.250 nan 0.000 0.446 323 D N -0.084 120.346 120.400 0.050 0.000 2.468 323 D HA 0.111 4.751 4.640 0.000 0.000 0.272 323 D C -1.799 174.591 176.300 0.150 0.000 1.221 323 D CA -1.891 52.152 54.000 0.072 0.000 0.860 323 D CB 1.082 41.902 40.800 0.034 0.000 1.190 323 D HN -0.144 nan 8.370 nan 0.000 0.509 324 P HA -0.155 nan 4.420 nan 0.000 0.218 324 P C 1.360 178.759 177.300 0.165 0.000 1.149 324 P CA 0.808 64.030 63.100 0.204 0.000 0.817 324 P CB 0.319 32.105 31.700 0.143 0.000 0.785 325 A N 0.541 123.426 122.820 0.109 0.000 1.903 325 A HA -0.203 4.117 4.320 0.000 0.000 0.219 325 A C 2.359 180.000 177.584 0.095 0.000 1.191 325 A CA 2.822 54.907 52.037 0.080 0.000 0.638 325 A CB -2.050 16.978 19.000 0.046 0.000 0.823 325 A HN 0.245 nan 8.150 nan 0.000 0.451 326 T N 0.276 114.891 114.554 0.102 0.000 2.929 326 T HA 0.056 4.406 4.350 0.000 0.000 0.271 326 T C 2.032 176.866 174.700 0.224 0.000 1.085 326 T CA 1.137 63.291 62.100 0.091 0.000 1.125 326 T CB -0.412 68.424 68.868 -0.055 0.000 0.874 326 T HN 0.644 nan 8.240 nan 0.000 0.494 327 A N 1.902 124.903 122.820 0.302 0.000 1.948 327 A HA -0.175 4.145 4.320 0.000 0.000 0.220 327 A C 2.110 179.791 177.584 0.162 0.000 1.177 327 A CA 1.602 53.812 52.037 0.288 0.000 0.636 327 A CB -0.475 18.642 19.000 0.195 0.000 0.815 327 A HN 0.460 nan 8.150 nan 0.000 0.449 328 E N -0.445 119.825 120.200 0.116 0.000 2.478 328 E HA -0.035 4.315 4.350 0.000 0.000 0.198 328 E C 1.921 178.566 176.600 0.074 0.000 1.046 328 E CA 0.298 56.742 56.400 0.073 0.000 0.870 328 E CB -0.042 29.690 29.700 0.053 0.000 0.818 328 E HN 0.396 nan 8.360 nan 0.000 0.527 329 R N 0.023 120.583 120.500 0.101 0.000 2.200 329 R HA 0.025 4.365 4.340 0.000 0.000 0.208 329 R C 1.687 178.044 176.300 0.096 0.000 1.033 329 R CA 1.035 57.186 56.100 0.085 0.000 1.000 329 R CB 0.140 30.486 30.300 0.076 0.000 0.906 329 R HN 0.294 nan 8.270 nan 0.000 0.462 330 V N -4.074 115.914 119.914 0.123 0.000 3.477 330 V HA 0.595 4.715 4.120 0.000 0.000 0.297 330 V C 0.271 176.387 176.094 0.037 0.000 1.433 330 V CA 0.001 62.358 62.300 0.095 0.000 1.052 330 V CB 0.486 32.397 31.823 0.147 0.000 0.895 330 V HN 0.044 nan 8.190 nan 0.000 0.438 331 A N -0.347 122.492 122.820 0.031 0.000 2.574 331 A HA 0.739 5.059 4.320 0.000 0.000 0.297 331 A C -1.026 176.561 177.584 0.005 0.000 1.062 331 A CA -0.500 51.537 52.037 -0.001 0.000 0.686 331 A CB 1.809 20.790 19.000 -0.031 0.000 1.285 331 A HN 0.273 nan 8.150 nan 0.000 0.403 332 E N 0.645 120.843 120.200 -0.004 0.000 2.179 332 E HA 0.488 4.838 4.350 0.000 0.000 0.275 332 E C -1.621 174.974 176.600 -0.007 0.000 0.945 332 E CA -0.728 55.672 56.400 -0.000 0.000 0.792 332 E CB 1.642 31.342 29.700 -0.000 0.000 1.125 332 E HN 0.547 nan 8.360 nan 0.000 0.397 333 L N 6.610 127.831 121.223 -0.003 0.000 2.265 333 L HA 0.403 4.743 4.340 0.000 0.000 0.289 333 L C -2.212 174.655 176.870 -0.005 0.000 1.033 333 L CA -1.463 53.373 54.840 -0.006 0.000 0.814 333 L CB 0.896 42.953 42.059 -0.003 0.000 1.203 333 L HN 0.377 nan 8.230 nan 0.000 0.423 334 P HA 0.372 nan 4.420 nan 0.000 0.278 334 P C -2.665 174.631 177.300 -0.005 0.000 1.238 334 P CA -1.113 61.983 63.100 -0.006 0.000 0.794 334 P CB 0.174 31.869 31.700 -0.009 0.000 0.955 335 P HA 0.169 nan 4.420 nan 0.000 0.269 335 P C -2.126 175.172 177.300 -0.004 0.000 1.215 335 P CA -0.831 62.267 63.100 -0.003 0.000 0.780 335 P CB -0.767 30.932 31.700 -0.002 0.000 0.898 336 P HA 0.095 nan 4.420 nan 0.000 0.270 336 P C -0.340 176.957 177.300 -0.004 0.000 1.223 336 P CA -0.062 63.035 63.100 -0.004 0.000 0.785 336 P CB 0.576 32.274 31.700 -0.003 0.000 0.923 337 V N -1.790 118.122 119.914 -0.005 0.000 3.141 337 V HA 0.679 4.799 4.120 0.000 0.000 0.312 337 V C -2.666 173.425 176.094 -0.004 0.000 1.157 337 V CA -2.441 59.857 62.300 -0.004 0.000 1.041 337 V CB 0.228 32.048 31.823 -0.005 0.000 1.071 337 V HN 0.344 nan 8.190 nan 0.000 0.441 338 P HA 0.434 nan 4.420 nan 0.000 0.269 338 P C -0.178 177.120 177.300 -0.004 0.000 1.215 338 P CA -0.009 63.088 63.100 -0.004 0.000 0.780 338 P CB 0.601 32.299 31.700 -0.003 0.000 0.898 339 A N 3.564 126.382 122.820 -0.004 0.000 3.052 339 A HA 0.123 4.443 4.320 0.000 0.000 0.266 339 A C 0.208 177.789 177.584 -0.004 0.000 1.855 339 A CA 0.081 52.115 52.037 -0.004 0.000 1.473 339 A CB -0.952 18.046 19.000 -0.004 0.000 1.038 339 A HN 0.423 nan 8.150 nan 0.000 0.619 340 R N 0.296 120.794 120.500 -0.004 0.000 2.628 340 R HA 0.345 4.685 4.340 0.000 0.000 0.288 340 R C 0.451 176.748 176.300 -0.004 0.000 0.980 340 R CA -0.968 55.129 56.100 -0.004 0.000 0.891 340 R CB 1.280 31.578 30.300 -0.004 0.000 1.188 340 R HN 0.338 nan 8.270 nan 0.000 0.450 341 L N 2.512 123.732 121.223 -0.004 0.000 2.043 341 L HA -0.217 4.123 4.340 0.000 0.000 0.212 341 L C 1.407 178.274 176.870 -0.005 0.000 1.075 341 L CA 2.075 56.912 54.840 -0.005 0.000 0.752 341 L CB -0.191 41.865 42.059 -0.004 0.000 0.891 341 L HN 0.630 nan 8.230 nan 0.000 0.432 342 E N -0.028 120.169 120.200 -0.004 0.000 2.038 342 E HA -0.201 4.149 4.350 0.000 0.000 0.195 342 E C 2.258 178.855 176.600 -0.005 0.000 1.000 342 E CA 1.679 58.077 56.400 -0.004 0.000 0.803 342 E CB -0.848 28.850 29.700 -0.004 0.000 0.750 342 E HN 0.596 nan 8.360 nan 0.000 0.448 343 A N 0.538 123.355 122.820 -0.005 0.000 1.933 343 A HA -0.147 4.173 4.320 0.000 0.000 0.218 343 A C 2.504 180.084 177.584 -0.006 0.000 1.175 343 A CA 1.493 53.527 52.037 -0.005 0.000 0.628 343 A CB -0.692 18.305 19.000 -0.005 0.000 0.814 343 A HN 0.148 nan 8.150 nan 0.000 0.444 344 V N -0.188 119.722 119.914 -0.006 0.000 2.307 344 V HA -0.225 3.896 4.120 0.000 0.000 0.245 344 V C 3.060 179.150 176.094 -0.008 0.000 1.045 344 V CA 1.877 64.172 62.300 -0.007 0.000 1.024 344 V CB -1.277 30.541 31.823 -0.007 0.000 0.651 344 V HN 0.601 nan 8.190 nan 0.000 0.449 345 A N -0.001 122.815 122.820 -0.007 0.000 1.940 345 A HA -0.142 4.178 4.320 0.000 0.000 0.219 345 A C 2.389 179.968 177.584 -0.008 0.000 1.176 345 A CA 2.213 54.246 52.037 -0.008 0.000 0.631 345 A CB -0.710 18.286 19.000 -0.007 0.000 0.814 345 A HN 0.579 nan 8.150 nan 0.000 0.446 346 A N -0.308 122.508 122.820 -0.007 0.000 1.897 346 A HA 0.251 4.571 4.320 0.000 0.000 0.215 346 A C 2.473 180.052 177.584 -0.008 0.000 1.181 346 A CA 1.785 53.817 52.037 -0.007 0.000 0.620 346 A CB -0.941 18.056 19.000 -0.006 0.000 0.821 346 A HN 1.052 nan 8.150 nan 0.000 0.443 347 A N -0.307 122.508 122.820 -0.008 0.000 2.019 347 A HA 0.250 4.570 4.320 0.000 0.000 0.219 347 A C 2.175 179.752 177.584 -0.011 0.000 1.164 347 A CA 1.652 53.683 52.037 -0.009 0.000 0.644 347 A CB -0.664 18.331 19.000 -0.009 0.000 0.805 347 A HN 1.056 nan 8.150 nan 0.000 0.449 348 A N -1.466 121.347 122.820 -0.012 0.000 2.259 348 A HA 0.423 4.743 4.320 0.000 0.000 0.208 348 A C 1.655 179.231 177.584 -0.014 0.000 1.201 348 A CA 1.017 53.045 52.037 -0.014 0.000 0.824 348 A CB -1.089 17.903 19.000 -0.013 0.000 0.838 348 A HN 1.837 nan 8.150 nan 0.000 0.485 349 G N -0.872 107.921 108.800 -0.012 0.000 2.198 349 G HA2 -0.248 3.712 3.960 0.000 0.000 0.260 349 G HA3 -0.248 3.712 3.960 0.000 0.000 0.260 349 G C 0.525 175.418 174.900 -0.010 0.000 1.025 349 G CA 0.568 45.662 45.100 -0.011 0.000 0.769 349 G HN 0.533 nan 8.290 nan 0.000 0.507 350 L N -1.361 119.856 121.223 -0.010 0.000 2.640 350 L HA 0.457 4.797 4.340 0.000 0.000 0.230 350 L C 1.394 178.260 176.870 -0.007 0.000 1.123 350 L CA 0.156 54.991 54.840 -0.009 0.000 0.900 350 L CB 0.021 42.075 42.059 -0.009 0.000 1.146 350 L HN 0.243 nan 8.230 nan 0.000 0.484 351 L N 0.000 121.219 121.223 -0.007 0.000 2.949 351 L HA 0.000 4.340 4.340 0.000 0.000 0.249 351 L CA 0.000 54.836 54.840 -0.006 0.000 0.813 351 L CB 0.000 42.056 42.059 -0.006 0.000 0.961 351 L HN 0.000 nan 8.230 nan 0.000 0.502