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_D 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 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 R N 5.144 125.650 120.500 0.011 0.000 2.518 2 R HA 0.644 4.984 4.340 0.000 0.000 0.287 2 R C -2.856 173.448 176.300 0.007 0.000 1.135 2 R CA -0.873 55.235 56.100 0.013 0.000 0.967 2 R CB 2.564 32.877 30.300 0.022 0.000 1.212 2 R HN 0.416 nan 8.270 nan 0.000 0.422 3 P HA 0.326 nan 4.420 nan 0.000 0.279 3 P C -2.720 174.582 177.300 0.003 0.000 1.252 3 P CA -1.853 61.242 63.100 -0.008 0.000 0.811 3 P CB 0.680 32.362 31.700 -0.030 0.000 1.035 4 P HA 0.020 nan 4.420 nan 0.000 0.268 4 P C 1.145 178.463 177.300 0.030 0.000 1.204 4 P CA -0.131 62.986 63.100 0.028 0.000 0.768 4 P CB 0.209 31.925 31.700 0.026 0.000 0.842 5 L N 5.185 126.444 121.223 0.059 0.000 2.013 5 L HA -0.207 4.133 4.340 0.000 0.000 0.212 5 L C 1.891 178.822 176.870 0.101 0.000 1.073 5 L CA 1.869 56.763 54.840 0.091 0.000 0.753 5 L CB -1.021 41.103 42.059 0.109 0.000 0.890 5 L HN 0.408 nan 8.230 nan 0.000 0.432 6 I N -0.741 119.874 120.570 0.075 0.000 2.264 6 I HA -0.269 3.901 4.170 0.000 0.000 0.248 6 I C 2.349 178.499 176.117 0.055 0.000 1.111 6 I CA 1.065 62.407 61.300 0.070 0.000 1.382 6 I CB -0.404 37.619 38.000 0.038 0.000 1.060 6 I HN 0.333 nan 8.210 nan 0.000 0.418 7 E N 0.442 120.656 120.200 0.023 0.000 2.072 7 E HA -0.192 4.158 4.350 0.000 0.000 0.190 7 E C 2.148 178.721 176.600 -0.045 0.000 0.982 7 E CA 0.792 57.189 56.400 -0.004 0.000 0.803 7 E CB -0.325 29.367 29.700 -0.013 0.000 0.755 7 E HN 0.421 nan 8.360 nan 0.000 0.453 8 R N -0.311 120.128 120.500 -0.103 0.000 2.105 8 R HA -0.142 4.198 4.340 0.000 0.000 0.239 8 R C 0.772 176.817 176.300 -0.424 0.000 1.135 8 R CA 1.320 57.236 56.100 -0.306 0.000 0.967 8 R CB -0.022 30.015 30.300 -0.439 0.000 0.861 8 R HN 0.196 nan 8.270 nan 0.000 0.442 9 Y N -0.643 119.702 120.300 0.075 0.000 2.713 9 Y HA 0.265 4.815 4.550 0.000 0.000 0.269 9 Y C 1.427 177.375 175.900 0.080 0.000 1.106 9 Y CA -0.664 57.499 58.100 0.105 0.000 1.174 9 Y CB 0.414 38.994 38.460 0.200 0.000 1.186 9 Y HN 0.016 nan 8.280 nan 0.000 0.555 10 R N 1.086 121.667 120.500 0.134 0.000 2.112 10 R HA -0.232 4.108 4.340 0.000 0.000 0.242 10 R C 1.233 177.589 176.300 0.093 0.000 1.137 10 R CA 2.300 58.455 56.100 0.091 0.000 0.944 10 R CB -0.069 30.257 30.300 0.043 0.000 0.857 10 R HN 0.331 nan 8.270 nan 0.000 0.435 11 N N 0.308 119.059 118.700 0.086 0.000 2.585 11 N HA -0.109 4.631 4.740 0.000 0.000 0.188 11 N C 0.812 176.372 175.510 0.084 0.000 1.102 11 N CA 0.904 53.994 53.050 0.066 0.000 0.920 11 N CB 0.150 38.660 38.487 0.039 0.000 0.963 11 N HN 0.381 nan 8.380 nan 0.000 0.447 12 L N 0.041 121.349 121.223 0.141 0.000 3.122 12 L HA 0.351 4.691 4.340 0.000 0.000 0.274 12 L C -0.215 176.759 176.870 0.173 0.000 1.222 12 L CA 0.053 54.988 54.840 0.158 0.000 1.028 12 L CB 0.387 42.563 42.059 0.195 0.000 1.386 12 L HN -0.103 nan 8.230 nan 0.000 0.578 13 L N 0.557 121.862 121.223 0.136 0.000 2.323 13 L HA 0.481 4.821 4.340 0.000 0.000 0.265 13 L C -2.060 174.856 176.870 0.077 0.000 1.012 13 L CA -1.624 53.279 54.840 0.106 0.000 0.820 13 L CB 2.216 44.337 42.059 0.102 0.000 1.334 13 L HN -0.182 nan 8.230 nan 0.000 0.427 14 P HA 0.095 nan 4.420 nan 0.000 0.230 14 P C -0.806 176.510 177.300 0.027 0.000 1.791 14 P CA 0.108 63.252 63.100 0.073 0.000 1.020 14 P CB -0.111 31.676 31.700 0.145 0.000 1.977 15 V N -1.032 118.895 119.914 0.022 0.000 3.158 15 V HA 0.931 5.051 4.120 0.000 0.000 0.311 15 V C -0.201 175.900 176.094 0.013 0.000 1.181 15 V CA -0.943 61.358 62.300 0.002 0.000 1.054 15 V CB 1.839 33.661 31.823 -0.002 0.000 1.085 15 V HN 0.417 nan 8.190 nan 0.000 0.446 16 S N -0.655 115.049 115.700 0.006 0.000 2.757 16 S HA 0.413 4.883 4.470 0.000 0.000 0.285 16 S C 0.661 175.264 174.600 0.005 0.000 1.196 16 S CA 0.095 58.300 58.200 0.009 0.000 0.856 16 S CB 1.339 64.545 63.200 0.010 0.000 1.212 16 S HN 1.274 nan 8.310 nan 0.000 0.516 17 E N 1.007 121.210 120.200 0.005 0.000 2.265 17 E HA -0.148 4.202 4.350 0.000 0.000 0.196 17 E C 1.034 177.635 176.600 0.003 0.000 0.996 17 E CA 1.070 57.472 56.400 0.004 0.000 0.832 17 E CB -0.393 29.310 29.700 0.004 0.000 0.756 17 E HN 0.681 nan 8.360 nan 0.000 0.491 18 K N 0.650 121.051 120.400 0.003 0.000 2.365 18 K HA 0.058 4.378 4.320 0.000 0.000 0.197 18 K C 0.377 176.976 176.600 -0.002 0.000 1.042 18 K CA 0.585 56.873 56.287 0.002 0.000 0.987 18 K CB 0.121 32.623 32.500 0.004 0.000 0.779 18 K HN 0.007 nan 8.250 nan 0.000 0.484 19 T N 4.717 119.267 114.554 -0.006 0.000 2.769 19 T HA 0.086 4.436 4.350 0.000 0.000 0.293 19 T C -2.306 172.388 174.700 -0.009 0.000 0.931 19 T CA -1.128 60.964 62.100 -0.014 0.000 1.139 19 T CB 0.778 69.632 68.868 -0.024 0.000 0.881 19 T HN 0.079 nan 8.240 nan 0.000 0.532 20 P HA 0.184 nan 4.420 nan 0.000 0.280 20 P C -0.449 176.852 177.300 0.002 0.000 1.300 20 P CA -0.388 62.712 63.100 -0.001 0.000 0.785 20 P CB 0.450 32.150 31.700 0.001 0.000 0.874 21 V N 6.148 126.067 119.914 0.007 0.000 2.390 21 V HA 0.018 4.138 4.120 0.000 0.000 0.260 21 V C 0.967 177.080 176.094 0.032 0.000 1.043 21 V CA 0.154 62.464 62.300 0.017 0.000 1.047 21 V CB -0.406 31.427 31.823 0.017 0.000 1.066 21 V HN 0.420 nan 8.190 nan 0.000 0.481 22 I N 4.901 125.502 120.570 0.052 0.000 2.282 22 I HA 0.342 4.512 4.170 0.000 0.000 0.290 22 I C 0.405 176.621 176.117 0.165 0.000 1.090 22 I CA 0.732 62.085 61.300 0.089 0.000 1.231 22 I CB 0.740 38.807 38.000 0.112 0.000 1.434 22 I HN 0.612 nan 8.210 nan 0.000 0.487 23 S N 6.142 121.905 115.700 0.105 0.000 2.570 23 S HA 0.699 5.169 4.470 0.000 0.000 0.286 23 S C 0.051 174.650 174.600 -0.002 0.000 1.099 23 S CA -0.508 57.771 58.200 0.132 0.000 0.913 23 S CB 1.730 64.985 63.200 0.092 0.000 1.085 23 S HN 0.532 nan 8.310 nan 0.000 0.480 24 L N 3.593 124.801 121.223 -0.026 0.000 3.122 24 L HA 0.489 4.829 4.340 0.000 0.000 0.274 24 L C -0.411 176.444 176.870 -0.025 0.000 1.222 24 L CA -0.115 54.650 54.840 -0.125 0.000 1.028 24 L CB -0.028 41.830 42.059 -0.336 0.000 1.386 24 L HN 0.744 nan 8.230 nan 0.000 0.578 25 L N 1.556 122.794 121.223 0.026 0.000 3.573 25 L HA -0.187 4.153 4.340 0.000 0.000 0.578 25 L C 0.388 177.289 176.870 0.051 0.000 1.299 25 L CA 0.157 55.017 54.840 0.034 0.000 0.914 25 L CB -1.281 40.785 42.059 0.012 0.000 1.563 25 L HN 0.468 nan 8.230 nan 0.000 0.860 26 E N 0.976 121.231 120.200 0.090 0.000 2.292 26 E HA 0.772 5.122 4.350 0.000 0.000 0.258 26 E C 0.871 177.522 176.600 0.085 0.000 1.115 26 E CA 0.253 56.714 56.400 0.101 0.000 0.929 26 E CB 1.436 31.232 29.700 0.160 0.000 1.161 26 E HN 0.440 nan 8.360 nan 0.000 0.453 27 G N 0.262 109.113 108.800 0.085 0.000 2.693 27 G HA2 -0.248 3.712 3.960 0.000 0.000 0.226 27 G HA3 -0.248 3.712 3.960 0.000 0.000 0.226 27 G C -0.079 174.871 174.900 0.085 0.000 1.354 27 G CA 0.264 45.418 45.100 0.091 0.000 0.873 27 G HN 1.304 nan 8.290 nan 0.000 0.562 28 S N -0.825 114.934 115.700 0.098 0.000 3.549 28 S HA -0.175 4.295 4.470 0.000 0.000 0.366 28 S C 0.909 175.560 174.600 0.084 0.000 1.012 28 S CA 2.546 60.798 58.200 0.086 0.000 1.141 28 S CB -2.135 61.100 63.200 0.059 0.000 0.910 28 S HN 2.334 nan 8.310 nan 0.000 0.471 29 T N -0.627 113.984 114.554 0.095 0.000 2.882 29 T HA 0.557 4.907 4.350 0.000 0.000 0.287 29 T C -2.389 172.387 174.700 0.126 0.000 1.014 29 T CA -1.891 60.272 62.100 0.104 0.000 1.049 29 T CB 0.550 69.484 68.868 0.110 0.000 1.001 29 T HN -0.004 nan 8.240 nan 0.000 0.525 30 P HA 0.289 nan 4.420 nan 0.000 0.271 30 P C -0.953 176.455 177.300 0.179 0.000 1.218 30 P CA -0.611 62.587 63.100 0.163 0.000 0.780 30 P CB 0.307 32.121 31.700 0.191 0.000 0.901 31 L N 4.540 125.856 121.223 0.154 0.000 2.387 31 L HA 0.378 4.718 4.340 0.000 0.000 0.259 31 L C -0.764 176.227 176.870 0.201 0.000 1.050 31 L CA -0.199 54.741 54.840 0.167 0.000 0.922 31 L CB -0.521 41.608 42.059 0.118 0.000 1.280 31 L HN 0.234 nan 8.230 nan 0.000 0.449 32 I N 6.637 127.306 120.570 0.165 0.000 2.436 32 I HA 0.228 4.398 4.170 0.000 0.000 0.289 32 I C -1.809 174.363 176.117 0.092 0.000 1.083 32 I CA -1.558 59.807 61.300 0.107 0.000 1.372 32 I CB 0.548 38.557 38.000 0.015 0.000 1.408 32 I HN 0.429 nan 8.210 nan 0.000 0.516 33 P HA 0.183 nan 4.420 nan 0.000 0.276 33 P C -0.676 176.517 177.300 -0.178 0.000 1.235 33 P CA -0.091 62.901 63.100 -0.181 0.000 0.772 33 P CB 0.936 32.560 31.700 -0.126 0.000 0.871 34 L N 3.778 124.859 121.223 -0.237 0.000 2.375 34 L HA 0.256 4.596 4.340 0.000 0.000 0.271 34 L C 1.835 178.631 176.870 -0.124 0.000 1.107 34 L CA -0.573 54.182 54.840 -0.141 0.000 0.806 34 L CB 0.660 42.661 42.059 -0.096 0.000 1.146 34 L HN 0.334 nan 8.230 nan 0.000 0.447 35 K N 1.161 121.518 120.400 -0.071 0.000 2.062 35 K HA 0.033 4.353 4.320 0.000 0.000 0.205 35 K C 0.958 177.553 176.600 -0.008 0.000 1.051 35 K CA 1.097 57.358 56.287 -0.044 0.000 0.941 35 K CB 0.053 32.532 32.500 -0.036 0.000 0.719 35 K HN 0.848 nan 8.250 nan 0.000 0.440 36 G N 0.253 109.084 108.800 0.052 0.000 3.214 36 G HA2 0.299 4.259 3.960 0.000 0.000 0.188 36 G HA3 0.299 4.259 3.960 0.000 0.000 0.188 36 G C -2.755 172.169 174.900 0.040 0.000 1.126 36 G CA -0.823 44.327 45.100 0.083 0.000 0.796 36 G HN -0.137 nan 8.290 nan 0.000 0.631 37 P HA 0.171 nan 4.420 nan 0.000 0.275 37 P C 0.208 177.541 177.300 0.054 0.000 1.266 37 P CA -0.176 62.960 63.100 0.061 0.000 0.793 37 P CB 1.599 33.278 31.700 -0.036 0.000 1.074 38 E N 0.277 120.528 120.200 0.085 0.000 2.204 38 E HA -0.183 4.167 4.350 0.000 0.000 0.195 38 E C 1.354 177.971 176.600 0.028 0.000 0.990 38 E CA 1.353 57.784 56.400 0.052 0.000 0.821 38 E CB -0.010 29.725 29.700 0.058 0.000 0.750 38 E HN 0.416 nan 8.360 nan 0.000 0.477 39 E N -0.215 120.004 120.200 0.032 0.000 2.274 39 E HA -0.044 4.306 4.350 0.000 0.000 0.194 39 E C 1.637 178.228 176.600 -0.015 0.000 0.996 39 E CA 0.850 57.257 56.400 0.011 0.000 0.840 39 E CB 0.003 29.719 29.700 0.026 0.000 0.772 39 E HN 0.234 nan 8.360 nan 0.000 0.491 40 A N 0.822 123.625 122.820 -0.029 0.000 1.911 40 A HA -0.006 4.314 4.320 0.000 0.000 0.212 40 A C 1.956 179.521 177.584 -0.032 0.000 1.189 40 A CA 0.665 52.671 52.037 -0.052 0.000 0.639 40 A CB -0.085 18.864 19.000 -0.085 0.000 0.839 40 A HN 0.028 nan 8.150 nan 0.000 0.449 41 R N 0.232 120.722 120.500 -0.017 0.000 2.082 41 R HA -0.128 4.212 4.340 0.000 0.000 0.234 41 R C 2.140 178.435 176.300 -0.008 0.000 1.136 41 R CA 1.834 57.928 56.100 -0.010 0.000 0.935 41 R CB -0.397 29.904 30.300 0.001 0.000 0.842 41 R HN 0.422 nan 8.270 nan 0.000 0.430 42 K N 0.626 121.023 120.400 -0.004 0.000 2.163 42 K HA -0.215 4.105 4.320 0.000 0.000 0.210 42 K C 1.534 178.130 176.600 -0.007 0.000 1.048 42 K CA 1.680 57.965 56.287 -0.004 0.000 0.928 42 K CB -0.039 32.459 32.500 -0.004 0.000 0.716 42 K HN 0.157 nan 8.250 nan 0.000 0.459 43 K N -0.894 119.498 120.400 -0.013 0.000 2.387 43 K HA 0.073 4.393 4.320 0.000 0.000 0.198 43 K C 0.636 177.228 176.600 -0.013 0.000 1.022 43 K CA 0.491 56.770 56.287 -0.015 0.000 1.128 43 K CB 1.015 33.502 32.500 -0.022 0.000 0.853 43 K HN 0.357 nan 8.250 nan 0.000 0.523 44 G N 2.173 110.967 108.800 -0.010 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 0.131 175.028 174.900 -0.004 0.000 0.994 44 G CA -0.048 45.050 45.100 -0.004 0.000 0.698 44 G HN 0.279 nan 8.290 nan 0.000 0.521 45 I N 0.776 121.337 120.570 -0.016 0.000 2.441 45 I HA 0.345 4.515 4.170 0.000 0.000 0.287 45 I C 0.924 177.030 176.117 -0.019 0.000 1.049 45 I CA -0.371 60.921 61.300 -0.014 0.000 1.381 45 I CB 0.703 38.679 38.000 -0.039 0.000 1.409 45 I HN 0.076 nan 8.210 nan 0.000 0.523 46 R N 6.316 126.824 120.500 0.014 0.000 2.445 46 R HA 0.662 5.002 4.340 0.000 0.000 0.308 46 R C -1.415 174.852 176.300 -0.054 0.000 0.961 46 R CA -0.979 55.093 56.100 -0.046 0.000 0.862 46 R CB 1.497 31.802 30.300 0.007 0.000 1.144 46 R HN 0.324 nan 8.270 nan 0.000 0.447 47 L N 3.317 124.421 121.223 -0.199 0.000 2.329 47 L HA 0.469 4.809 4.340 0.000 0.000 0.279 47 L C -0.948 175.733 176.870 -0.315 0.000 1.014 47 L CA -0.562 54.195 54.840 -0.138 0.000 0.814 47 L CB 0.937 42.926 42.059 -0.117 0.000 1.257 47 L HN 0.481 nan 8.230 nan 0.000 0.424 48 Y N 0.966 121.263 120.300 -0.005 0.000 2.462 48 Y HA 0.749 5.299 4.550 0.000 0.000 0.346 48 Y C 0.007 175.903 175.900 -0.007 0.000 0.976 48 Y CA -1.112 56.989 58.100 0.002 0.000 1.044 48 Y CB 2.110 40.581 38.460 0.018 0.000 1.230 48 Y HN 0.577 nan 8.280 nan 0.000 0.455 49 A N 2.745 125.650 122.820 0.142 0.000 2.267 49 A HA 0.573 4.893 4.320 0.000 0.000 0.315 49 A C -0.739 176.935 177.584 0.150 0.000 1.297 49 A CA -0.945 51.150 52.037 0.097 0.000 0.865 49 A CB 0.486 19.490 19.000 0.006 0.000 1.165 49 A HN 0.557 nan 8.150 nan 0.000 0.513 50 K N 2.476 122.980 120.400 0.173 0.000 2.220 50 K HA 0.128 4.448 4.320 0.000 0.000 0.283 50 K C -0.897 175.867 176.600 0.273 0.000 1.098 50 K CA -0.144 56.266 56.287 0.206 0.000 0.928 50 K CB -0.400 32.222 32.500 0.204 0.000 1.214 50 K HN 0.513 nan 8.250 nan 0.000 0.442 51 Y N 4.441 124.807 120.300 0.109 0.000 2.530 51 Y HA 0.059 4.609 4.550 0.000 0.000 0.340 51 Y C 0.395 176.369 175.900 0.123 0.000 1.247 51 Y CA -0.269 57.892 58.100 0.103 0.000 1.727 51 Y CB 0.108 38.621 38.460 0.089 0.000 1.613 51 Y HN 0.655 nan 8.280 nan 0.000 0.464 52 E N 2.116 122.442 120.200 0.211 0.000 2.516 52 E HA -0.044 4.306 4.350 0.000 0.000 0.199 52 E C 1.944 178.548 176.600 0.006 0.000 1.069 52 E CA 0.617 57.096 56.400 0.131 0.000 0.876 52 E CB 0.056 29.904 29.700 0.248 0.000 0.843 52 E HN 0.887 nan 8.360 nan 0.000 0.530 53 G N 0.508 109.191 108.800 -0.196 0.000 2.679 53 G HA2 -0.114 3.846 3.960 0.000 0.000 0.212 53 G HA3 -0.114 3.846 3.960 0.000 0.000 0.212 53 G C 1.255 175.991 174.900 -0.273 0.000 1.137 53 G CA -0.050 44.903 45.100 -0.245 0.000 0.787 53 G HN 0.195 nan 8.290 nan 0.000 0.534 54 L N 0.639 121.659 121.223 -0.338 0.000 2.728 54 L HA 0.234 4.574 4.340 0.000 0.000 0.235 54 L C 0.469 177.305 176.870 -0.056 0.000 1.197 54 L CA -0.435 54.300 54.840 -0.175 0.000 0.992 54 L CB -0.259 41.716 42.059 -0.140 0.000 1.263 54 L HN 0.066 nan 8.230 nan 0.000 0.484 55 N N 0.761 119.442 118.700 -0.030 0.000 2.445 55 N HA 0.141 4.881 4.740 0.000 0.000 0.264 55 N C -1.551 173.962 175.510 0.006 0.000 1.227 55 N CA -1.194 51.865 53.050 0.017 0.000 0.963 55 N CB 1.350 39.864 38.487 0.044 0.000 1.188 55 N HN -0.219 nan 8.380 nan 0.000 0.491 56 P HA -0.179 nan 4.420 nan 0.000 0.217 56 P C 1.031 178.330 177.300 -0.002 0.000 1.162 56 P CA 2.276 65.375 63.100 -0.002 0.000 0.901 56 P CB 0.009 31.699 31.700 -0.018 0.000 0.793 57 T N -5.970 108.595 114.554 0.019 0.000 3.144 57 T HA 0.393 4.743 4.350 0.000 0.000 0.249 57 T C 1.282 175.986 174.700 0.006 0.000 1.089 57 T CA 0.314 62.428 62.100 0.025 0.000 0.989 57 T CB -0.636 68.251 68.868 0.031 0.000 0.992 57 T HN 0.293 nan 8.240 nan 0.000 0.540 58 G N 0.909 109.704 108.800 -0.009 0.000 2.132 58 G HA2 -0.125 3.835 3.960 0.000 0.000 0.234 58 G HA3 -0.125 3.835 3.960 0.000 0.000 0.234 58 G C 0.103 175.008 174.900 0.009 0.000 0.989 58 G CA 0.251 45.343 45.100 -0.012 0.000 0.676 58 G HN 1.609 nan 8.290 nan 0.000 0.522 59 S N -1.386 114.312 115.700 -0.003 0.000 2.588 59 S HA 0.674 5.144 4.470 0.000 0.000 0.269 59 S C 0.697 175.294 174.600 -0.005 0.000 1.157 59 S CA -0.044 58.155 58.200 -0.001 0.000 0.824 59 S CB 0.610 63.741 63.200 -0.114 0.000 1.126 59 S HN 1.350 nan 8.310 nan 0.000 0.464 60 F N 0.716 120.682 119.950 0.027 0.000 2.546 60 F HA 0.286 4.813 4.527 0.000 0.000 0.298 60 F C 1.831 177.632 175.800 0.002 0.000 1.120 60 F CA 0.333 58.347 58.000 0.024 0.000 1.456 60 F CB -0.494 38.535 39.000 0.049 0.000 1.088 60 F HN 0.372 nan 8.300 nan 0.000 0.572 61 K N 1.232 121.191 120.400 -0.733 0.000 2.160 61 K HA -0.196 4.124 4.320 0.000 0.000 0.206 61 K C 1.372 177.825 176.600 -0.246 0.000 1.047 61 K CA 1.569 57.530 56.287 -0.543 0.000 0.930 61 K CB -0.889 31.326 32.500 -0.475 0.000 0.720 61 K HN 0.389 nan 8.250 nan 0.000 0.450 62 D N 0.502 120.822 120.400 -0.134 0.000 2.221 62 D HA -0.149 4.491 4.640 0.000 0.000 0.204 62 D C 1.985 178.196 176.300 -0.148 0.000 0.982 62 D CA 0.836 54.785 54.000 -0.086 0.000 0.857 62 D CB -0.116 40.764 40.800 0.134 0.000 0.934 62 D HN 0.250 nan 8.370 nan 0.000 0.475 63 R N 0.015 120.481 120.500 -0.057 0.000 2.081 63 R HA -0.043 4.297 4.340 0.000 0.000 0.235 63 R C 2.365 178.613 176.300 -0.087 0.000 1.131 63 R CA 1.389 57.468 56.100 -0.036 0.000 0.960 63 R CB -0.405 29.908 30.300 0.023 0.000 0.856 63 R HN 0.198 nan 8.270 nan 0.000 0.436 64 G N 0.049 108.793 108.800 -0.094 0.000 2.453 64 G HA2 -0.190 3.770 3.960 0.000 0.000 0.215 64 G HA3 -0.190 3.770 3.960 0.000 0.000 0.215 64 G C 1.282 176.077 174.900 -0.176 0.000 1.147 64 G CA 0.006 45.051 45.100 -0.092 0.000 0.802 64 G HN 0.096 nan 8.290 nan 0.000 0.535 65 M N 0.955 120.369 119.600 -0.309 0.000 2.229 65 M HA 0.054 4.534 4.480 0.000 0.000 0.264 65 M C 2.500 178.395 176.300 -0.675 0.000 1.063 65 M CA 1.606 56.623 55.300 -0.473 0.000 1.114 65 M CB -0.649 31.594 32.600 -0.594 0.000 1.387 65 M HN 0.191 nan 8.290 nan 0.000 0.420 66 T N -0.528 113.580 114.554 -0.743 0.000 2.746 66 T HA -0.117 4.233 4.350 0.000 0.000 0.267 66 T C 1.639 176.221 174.700 -0.197 0.000 1.039 66 T CA 1.588 63.407 62.100 -0.467 0.000 1.142 66 T CB -0.232 68.548 68.868 -0.148 0.000 0.866 66 T HN 0.348 nan 8.240 nan 0.000 0.444 67 L N 1.117 122.241 121.223 -0.164 0.000 2.072 67 L HA 0.329 4.669 4.340 0.000 0.000 0.205 67 L C 2.710 179.489 176.870 -0.151 0.000 1.079 67 L CA 1.947 56.711 54.840 -0.127 0.000 0.752 67 L CB -1.232 40.780 42.059 -0.079 0.000 0.906 67 L HN 0.285 nan 8.230 nan 0.000 0.436 68 A N -1.035 121.727 122.820 -0.097 0.000 1.883 68 A HA -0.174 4.146 4.320 0.000 0.000 0.217 68 A C 2.244 179.800 177.584 -0.048 0.000 1.186 68 A CA 2.260 54.282 52.037 -0.025 0.000 0.624 68 A CB -1.131 17.863 19.000 -0.010 0.000 0.822 68 A HN 0.293 nan 8.150 nan 0.000 0.444 69 V N -0.361 119.507 119.914 -0.077 0.000 2.379 69 V HA -0.178 3.942 4.120 0.000 0.000 0.245 69 V C 2.763 178.844 176.094 -0.022 0.000 1.044 69 V CA 2.146 64.430 62.300 -0.027 0.000 1.036 69 V CB -0.739 31.092 31.823 0.013 0.000 0.664 69 V HN 0.549 nan 8.190 nan 0.000 0.453 70 S N -0.277 115.395 115.700 -0.046 0.000 2.359 70 S HA -0.184 4.286 4.470 0.000 0.000 0.224 70 S C 2.054 176.609 174.600 -0.076 0.000 1.035 70 S CA 1.257 59.431 58.200 -0.043 0.000 1.018 70 S CB -0.250 62.919 63.200 -0.051 0.000 0.876 70 S HN 0.450 nan 8.310 nan 0.000 0.448 71 K N 1.564 121.872 120.400 -0.152 0.000 2.155 71 K HA 0.179 4.499 4.320 0.000 0.000 0.203 71 K C 2.194 178.762 176.600 -0.053 0.000 1.052 71 K CA 0.990 57.164 56.287 -0.188 0.000 0.948 71 K CB -0.678 31.486 32.500 -0.560 0.000 0.728 71 K HN 0.358 nan 8.250 nan 0.000 0.448 72 A N 1.008 123.818 122.820 -0.018 0.000 1.873 72 A HA -0.093 4.227 4.320 0.000 0.000 0.215 72 A C 2.470 180.063 177.584 0.015 0.000 1.186 72 A CA 1.362 53.413 52.037 0.022 0.000 0.616 72 A CB -0.616 18.401 19.000 0.028 0.000 0.823 72 A HN 0.039 nan 8.150 nan 0.000 0.442 73 V N 0.199 120.116 119.914 0.005 0.000 2.407 73 V HA -0.265 3.855 4.120 0.000 0.000 0.248 73 V C 2.501 178.599 176.094 0.005 0.000 1.055 73 V CA 2.263 64.568 62.300 0.008 0.000 1.049 73 V CB -0.706 31.122 31.823 0.009 0.000 0.662 73 V HN 0.772 nan 8.190 nan 0.000 0.455 74 E N 0.405 120.602 120.200 -0.005 0.000 2.153 74 E HA -0.183 4.167 4.350 0.000 0.000 0.194 74 E C 2.079 178.684 176.600 0.008 0.000 0.988 74 E CA 1.271 57.668 56.400 -0.004 0.000 0.811 74 E CB -0.308 29.381 29.700 -0.018 0.000 0.746 74 E HN 0.606 nan 8.360 nan 0.000 0.466 75 G N -0.809 108.000 108.800 0.015 0.000 2.985 75 G HA2 0.136 4.096 3.960 0.000 0.000 0.209 75 G HA3 0.136 4.096 3.960 0.000 0.000 0.209 75 G C 0.987 175.901 174.900 0.023 0.000 1.165 75 G CA 0.281 45.396 45.100 0.025 0.000 0.776 75 G HN 0.482 nan 8.290 nan 0.000 0.541 76 G N -1.156 107.656 108.800 0.019 0.000 2.157 76 G HA2 0.101 4.061 3.960 0.000 0.000 0.248 76 G HA3 0.101 4.061 3.960 0.000 0.000 0.248 76 G C 0.587 175.500 174.900 0.022 0.000 0.979 76 G CA 0.228 45.339 45.100 0.019 0.000 0.650 76 G HN 1.340 nan 8.290 nan 0.000 0.529 77 A N -0.468 122.367 122.820 0.025 0.000 2.483 77 A HA 0.609 4.929 4.320 0.000 0.000 0.238 77 A C 0.991 178.590 177.584 0.025 0.000 1.070 77 A CA 1.208 53.262 52.037 0.028 0.000 0.770 77 A CB 0.267 19.287 19.000 0.032 0.000 1.008 77 A HN 0.569 nan 8.150 nan 0.000 0.497 78 Q N -0.315 119.500 119.800 0.026 0.000 2.149 78 Q HA 0.464 4.804 4.340 0.000 0.000 0.221 78 Q C -0.314 175.697 176.000 0.020 0.000 0.807 78 Q CA 0.479 56.295 55.803 0.021 0.000 1.000 78 Q CB 0.902 29.653 28.738 0.021 0.000 1.157 78 Q HN 0.921 nan 8.270 nan 0.000 0.487 79 A N 0.500 123.333 122.820 0.022 0.000 2.594 79 A HA 0.642 4.962 4.320 0.000 0.000 0.296 79 A C -1.175 176.421 177.584 0.020 0.000 1.061 79 A CA -0.661 51.386 52.037 0.016 0.000 0.689 79 A CB 1.304 20.310 19.000 0.009 0.000 1.280 79 A HN 0.089 nan 8.150 nan 0.000 0.406 80 V N -1.565 118.359 119.914 0.015 0.000 2.962 80 V HA 1.041 5.161 4.120 0.000 0.000 0.313 80 V C -0.050 176.051 176.094 0.011 0.000 1.099 80 V CA -0.305 62.007 62.300 0.019 0.000 0.971 80 V CB 1.234 33.070 31.823 0.021 0.000 1.028 80 V HN 2.416 nan 8.190 nan 0.000 0.430 81 A N 2.004 124.833 122.820 0.015 0.000 2.498 81 A HA 1.027 5.347 4.320 0.000 0.000 0.298 81 A C -0.403 177.194 177.584 0.022 0.000 1.075 81 A CA -0.045 51.998 52.037 0.011 0.000 0.714 81 A CB 1.633 20.634 19.000 0.003 0.000 1.299 81 A HN 2.610 nan 8.150 nan 0.000 0.407 82 C N -0.404 118.912 119.300 0.027 0.000 3.241 82 C HA 0.883 5.343 4.460 0.000 0.000 0.348 82 C C -0.018 175.011 174.990 0.065 0.000 1.180 82 C CA -0.243 58.803 59.018 0.047 0.000 1.273 82 C CB 0.746 28.515 27.740 0.049 0.000 1.620 82 C HN 2.099 nan 8.230 nan 0.000 0.510 83 A N 1.762 124.637 122.820 0.093 0.000 2.304 83 A HA 0.945 5.265 4.320 0.000 0.000 0.301 83 A C 0.061 177.837 177.584 0.319 0.000 1.132 83 A CA 0.222 52.333 52.037 0.122 0.000 0.819 83 A CB 0.993 19.970 19.000 -0.039 0.000 1.094 83 A HN 2.332 nan 8.150 nan 0.000 0.492 84 S N -0.870 115.046 115.700 0.360 0.000 2.552 84 S HA 0.460 4.930 4.470 0.000 0.000 0.272 84 S C 0.397 175.126 174.600 0.215 0.000 1.150 84 S CA 0.243 58.614 58.200 0.286 0.000 0.849 84 S CB 0.861 64.130 63.200 0.115 0.000 1.113 84 S HN 1.429 nan 8.310 nan 0.000 0.458 85 T N 0.336 114.892 114.554 0.003 0.000 3.107 85 T HA 0.531 4.881 4.350 0.000 0.000 0.249 85 T C 1.324 176.034 174.700 0.016 0.000 1.096 85 T CA 0.960 63.059 62.100 -0.002 0.000 1.012 85 T CB 0.103 68.887 68.868 -0.141 0.000 0.977 85 T HN 1.649 nan 8.240 nan 0.000 0.527 86 G N 1.703 110.512 108.800 0.015 0.000 3.753 86 G HA2 -0.232 3.728 3.960 0.000 0.000 0.196 86 G HA3 -0.232 3.728 3.960 0.000 0.000 0.196 86 G C 0.966 175.862 174.900 -0.008 0.000 1.538 86 G CA 0.078 45.187 45.100 0.014 0.000 1.040 86 G HN 0.301 nan 8.290 nan 0.000 0.427 87 N N 1.092 119.766 118.700 -0.043 0.000 2.142 87 N HA -0.040 4.700 4.740 0.000 0.000 0.186 87 N C 2.148 177.596 175.510 -0.103 0.000 1.023 87 N CA 1.968 54.971 53.050 -0.078 0.000 0.852 87 N CB -0.613 37.798 38.487 -0.126 0.000 0.998 87 N HN 0.455 nan 8.380 nan 0.000 0.424 88 T N 1.107 115.594 114.554 -0.112 0.000 2.833 88 T HA -0.016 4.334 4.350 0.000 0.000 0.269 88 T C 1.942 176.620 174.700 -0.037 0.000 1.054 88 T CA 1.187 63.227 62.100 -0.099 0.000 1.135 88 T CB -0.183 68.646 68.868 -0.065 0.000 0.869 88 T HN 0.331 nan 8.240 nan 0.000 0.466 89 A N 1.365 124.183 122.820 -0.004 0.000 1.898 89 A HA 0.256 4.576 4.320 0.000 0.000 0.216 89 A C 2.649 180.245 177.584 0.020 0.000 1.181 89 A CA 1.612 53.661 52.037 0.021 0.000 0.620 89 A CB -1.072 17.952 19.000 0.040 0.000 0.819 89 A HN 0.482 nan 8.150 nan 0.000 0.442 90 A N -0.774 122.058 122.820 0.020 0.000 1.908 90 A HA -0.131 4.189 4.320 0.000 0.000 0.218 90 A C 2.483 180.070 177.584 0.006 0.000 1.181 90 A CA 2.246 54.310 52.037 0.045 0.000 0.627 90 A CB -0.948 18.081 19.000 0.048 0.000 0.818 90 A HN 0.525 nan 8.150 nan 0.000 0.445 91 S N -0.622 115.076 115.700 -0.003 0.000 2.355 91 S HA -0.023 4.447 4.470 0.000 0.000 0.222 91 S C 2.236 176.892 174.600 0.093 0.000 1.031 91 S CA 1.541 59.766 58.200 0.042 0.000 0.993 91 S CB -0.506 62.673 63.200 -0.034 0.000 0.859 91 S HN 0.826 nan 8.310 nan 0.000 0.453 92 A N 1.445 124.279 122.820 0.024 0.000 1.908 92 A HA 0.103 4.423 4.320 0.000 0.000 0.218 92 A C 2.444 180.045 177.584 0.028 0.000 1.181 92 A CA 2.018 54.074 52.037 0.032 0.000 0.627 92 A CB -1.404 17.603 19.000 0.011 0.000 0.818 92 A HN 0.736 nan 8.150 nan 0.000 0.445 93 A N -0.170 122.646 122.820 -0.008 0.000 1.883 93 A HA 0.118 4.438 4.320 0.000 0.000 0.217 93 A C 2.531 180.003 177.584 -0.187 0.000 1.186 93 A CA 2.315 54.333 52.037 -0.033 0.000 0.624 93 A CB -1.078 17.945 19.000 0.038 0.000 0.822 93 A HN 1.091 nan 8.150 nan 0.000 0.444 94 A N -1.482 121.077 122.820 -0.433 0.000 1.877 94 A HA -0.072 4.248 4.320 0.000 0.000 0.216 94 A C 2.095 179.445 177.584 -0.390 0.000 1.186 94 A CA 1.588 53.175 52.037 -0.750 0.000 0.620 94 A CB -0.837 17.692 19.000 -0.784 0.000 0.822 94 A HN 0.578 nan 8.150 nan 0.000 0.443 95 Y N -0.103 120.083 120.300 -0.191 0.000 2.293 95 Y HA -0.016 4.534 4.550 0.000 0.000 0.291 95 Y C 2.842 178.696 175.900 -0.077 0.000 1.137 95 Y CA 0.735 58.769 58.100 -0.109 0.000 1.202 95 Y CB -0.407 38.003 38.460 -0.083 0.000 0.990 95 Y HN 0.338 nan 8.280 nan 0.000 0.537 96 A N 0.041 122.890 122.820 0.048 0.000 1.898 96 A HA -0.114 4.206 4.320 0.000 0.000 0.216 96 A C 2.455 180.037 177.584 -0.004 0.000 1.181 96 A CA 1.664 53.716 52.037 0.026 0.000 0.620 96 A CB -1.191 17.820 19.000 0.019 0.000 0.819 96 A HN 0.383 nan 8.150 nan 0.000 0.442 97 A N -0.091 122.708 122.820 -0.034 0.000 1.883 97 A HA -0.188 4.132 4.320 0.000 0.000 0.217 97 A C 2.192 179.752 177.584 -0.041 0.000 1.186 97 A CA 2.243 54.265 52.037 -0.025 0.000 0.624 97 A CB -0.475 18.520 19.000 -0.009 0.000 0.822 97 A HN 0.461 nan 8.150 nan 0.000 0.444 98 R N 0.137 120.583 120.500 -0.089 0.000 2.081 98 R HA -0.029 4.311 4.340 0.000 0.000 0.235 98 R C 1.976 178.255 176.300 -0.036 0.000 1.131 98 R CA 1.976 58.022 56.100 -0.091 0.000 0.960 98 R CB -0.778 29.412 30.300 -0.184 0.000 0.856 98 R HN 0.399 nan 8.270 nan 0.000 0.436 99 A N -1.158 121.657 122.820 -0.008 0.000 2.169 99 A HA 0.273 4.593 4.320 0.000 0.000 0.212 99 A C 1.349 178.937 177.584 0.006 0.000 1.153 99 A CA 0.751 52.795 52.037 0.011 0.000 0.756 99 A CB -0.475 18.544 19.000 0.032 0.000 0.813 99 A HN 0.592 nan 8.150 nan 0.000 0.471 100 G N -0.341 108.459 108.800 0.001 0.000 2.182 100 G HA2 -0.208 3.752 3.960 0.000 0.000 0.248 100 G HA3 -0.208 3.752 3.960 0.000 0.000 0.248 100 G C 0.111 175.016 174.900 0.007 0.000 1.042 100 G CA 0.450 45.551 45.100 0.003 0.000 0.775 100 G HN 1.356 nan 8.290 nan 0.000 0.501 101 I N -3.315 117.261 120.570 0.010 0.000 3.170 101 I HA 0.919 5.089 4.170 0.000 0.000 0.312 101 I C 0.235 176.358 176.117 0.011 0.000 1.085 101 I CA -1.933 59.374 61.300 0.012 0.000 0.999 101 I CB 1.558 39.567 38.000 0.016 0.000 1.233 101 I HN 0.037 nan 8.210 nan 0.000 0.467 102 L N 2.573 123.801 121.223 0.008 0.000 2.395 102 L HA 0.726 5.066 4.340 0.000 0.000 0.269 102 L C -0.241 176.632 176.870 0.005 0.000 1.133 102 L CA 0.264 55.106 54.840 0.004 0.000 0.812 102 L CB 1.061 43.118 42.059 -0.005 0.000 1.125 102 L HN 0.843 nan 8.230 nan 0.000 0.452 103 A N 6.400 129.223 122.820 0.004 0.000 2.353 103 A HA 0.721 5.041 4.320 0.000 0.000 0.299 103 A C -0.963 176.620 177.584 -0.001 0.000 1.089 103 A CA -0.435 51.606 52.037 0.006 0.000 0.736 103 A CB 0.593 19.602 19.000 0.015 0.000 1.195 103 A HN 0.654 nan 8.150 nan 0.000 0.447 104 I N 3.378 123.943 120.570 -0.008 0.000 2.389 104 I HA 0.490 4.660 4.170 0.000 0.000 0.288 104 I C -0.422 175.693 176.117 -0.002 0.000 0.999 104 I CA -0.981 60.308 61.300 -0.019 0.000 1.129 104 I CB 1.963 39.934 38.000 -0.048 0.000 1.288 104 I HN 0.511 nan 8.210 nan 0.000 0.444 105 V N 4.816 124.734 119.914 0.007 0.000 2.540 105 V HA 0.634 4.754 4.120 0.000 0.000 0.302 105 V C -0.544 175.565 176.094 0.026 0.000 1.035 105 V CA -0.615 61.699 62.300 0.023 0.000 0.873 105 V CB 1.743 33.587 31.823 0.034 0.000 0.992 105 V HN 0.367 nan 8.190 nan 0.000 0.428 106 V N 6.425 126.360 119.914 0.035 0.000 2.370 106 V HA 0.565 4.685 4.120 0.000 0.000 0.283 106 V C -0.041 176.095 176.094 0.070 0.000 1.023 106 V CA -0.318 62.003 62.300 0.035 0.000 0.857 106 V CB 1.004 32.835 31.823 0.013 0.000 0.985 106 V HN 0.840 nan 8.190 nan 0.000 0.443 107 L N 6.717 127.983 121.223 0.071 0.000 2.354 107 L HA 0.623 4.963 4.340 0.000 0.000 0.269 107 L C -2.504 174.431 176.870 0.109 0.000 1.005 107 L CA -2.093 52.810 54.840 0.105 0.000 0.819 107 L CB 2.802 44.912 42.059 0.086 0.000 1.311 107 L HN 0.367 nan 8.230 nan 0.000 0.423 108 P HA 0.125 nan 4.420 nan 0.000 0.276 108 P C -0.541 176.864 177.300 0.174 0.000 1.253 108 P CA -0.221 62.983 63.100 0.175 0.000 0.766 108 P CB 1.263 33.102 31.700 0.231 0.000 0.845 109 A N 3.610 126.510 122.820 0.134 0.000 2.546 109 A HA 0.379 4.699 4.320 0.000 0.000 0.243 109 A C 1.640 179.236 177.584 0.020 0.000 1.063 109 A CA 0.827 52.908 52.037 0.073 0.000 0.757 109 A CB -1.339 17.693 19.000 0.053 0.000 0.991 109 A HN 0.866 nan 8.150 nan 0.000 0.503 110 G N 1.005 109.748 108.800 -0.096 0.000 2.220 110 G HA2 -0.320 3.640 3.960 0.000 0.000 0.269 110 G HA3 -0.320 3.640 3.960 0.000 0.000 0.269 110 G C 0.238 174.811 174.900 -0.546 0.000 0.977 110 G CA 1.214 46.119 45.100 -0.325 0.000 0.634 110 G HN 0.976 nan 8.290 nan 0.000 0.539 111 Y N -0.204 120.116 120.300 0.032 0.000 2.736 111 Y HA 0.575 5.125 4.550 -0.000 0.000 0.293 111 Y C 0.446 176.363 175.900 0.030 0.000 1.062 111 Y CA -0.523 57.596 58.100 0.032 0.000 1.247 111 Y CB 1.054 39.539 38.460 0.041 0.000 1.200 111 Y HN 0.129 nan 8.280 nan 0.000 0.552 112 V N 0.899 120.864 119.914 0.085 0.000 2.531 112 V HA 0.648 4.768 4.120 0.000 0.000 0.301 112 V C 0.228 176.342 176.094 0.034 0.000 1.034 112 V CA -1.524 60.816 62.300 0.068 0.000 0.865 112 V CB 1.414 33.274 31.823 0.063 0.000 0.995 112 V HN 0.372 nan 8.190 nan 0.000 0.424 113 A N 4.039 126.879 122.820 0.034 0.000 2.561 113 A HA 0.272 4.592 4.320 0.000 0.000 0.234 113 A C 1.210 178.806 177.584 0.021 0.000 1.055 113 A CA 0.277 52.329 52.037 0.025 0.000 0.756 113 A CB -0.017 18.998 19.000 0.026 0.000 0.986 113 A HN 1.285 nan 8.150 nan 0.000 0.505 114 L N 1.953 123.187 121.223 0.019 0.000 2.265 114 L HA 0.085 4.425 4.340 0.000 0.000 0.215 114 L C 1.928 178.809 176.870 0.019 0.000 1.117 114 L CA 2.285 57.135 54.840 0.016 0.000 0.782 114 L CB -1.195 40.873 42.059 0.015 0.000 0.914 114 L HN 0.609 nan 8.230 nan 0.000 0.441 115 G N 0.291 109.106 108.800 0.026 0.000 2.402 115 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 115 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 115 G C 1.615 176.527 174.900 0.019 0.000 1.162 115 G CA 0.785 45.899 45.100 0.024 0.000 0.777 115 G HN 0.489 nan 8.290 nan 0.000 0.539 116 K N 0.074 120.487 120.400 0.022 0.000 2.057 116 K HA 0.030 4.350 4.320 0.000 0.000 0.206 116 K C 2.549 179.166 176.600 0.029 0.000 1.050 116 K CA 0.936 57.239 56.287 0.026 0.000 0.935 116 K CB -0.326 32.188 32.500 0.022 0.000 0.715 116 K HN 0.184 nan 8.250 nan 0.000 0.439 117 V N 1.796 121.724 119.914 0.024 0.000 2.287 117 V HA -0.288 3.832 4.120 0.000 0.000 0.248 117 V C 2.439 178.542 176.094 0.015 0.000 1.053 117 V CA 2.126 64.439 62.300 0.021 0.000 1.027 117 V CB -0.815 31.017 31.823 0.014 0.000 0.646 117 V HN 0.377 nan 8.190 nan 0.000 0.447 118 A N -0.981 121.843 122.820 0.006 0.000 1.908 118 A HA -0.330 3.990 4.320 0.000 0.000 0.218 118 A C 2.187 179.758 177.584 -0.021 0.000 1.181 118 A CA 2.222 54.253 52.037 -0.010 0.000 0.627 118 A CB -0.534 18.457 19.000 -0.015 0.000 0.818 118 A HN 0.648 nan 8.150 nan 0.000 0.445 119 Q N -0.633 119.169 119.800 0.003 0.000 2.050 119 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 119 Q C 2.497 178.561 176.000 0.107 0.000 0.980 119 Q CA 1.792 57.614 55.803 0.032 0.000 0.840 119 Q CB -0.217 28.585 28.738 0.108 0.000 0.898 119 Q HN 0.648 nan 8.270 nan 0.000 0.424 120 S N 0.755 116.513 115.700 0.097 0.000 2.382 120 S HA -0.106 4.364 4.470 0.000 0.000 0.228 120 S C 1.909 176.548 174.600 0.066 0.000 1.027 120 S CA 0.792 59.051 58.200 0.099 0.000 0.991 120 S CB -0.172 63.065 63.200 0.062 0.000 0.823 120 S HN 0.238 nan 8.310 nan 0.000 0.469 121 L N 1.251 122.489 121.223 0.025 0.000 1.961 121 L HA -0.130 4.210 4.340 0.000 0.000 0.210 121 L C 2.579 179.438 176.870 -0.017 0.000 1.072 121 L CA 1.555 56.397 54.840 0.002 0.000 0.749 121 L CB -0.951 41.102 42.059 -0.011 0.000 0.889 121 L HN 0.323 nan 8.230 nan 0.000 0.432 122 V N -3.614 116.257 119.914 -0.071 0.000 2.490 122 V HA -0.271 3.849 4.120 0.000 0.000 0.250 122 V C 2.253 178.274 176.094 -0.122 0.000 1.061 122 V CA 1.616 63.840 62.300 -0.127 0.000 1.064 122 V CB -1.125 30.568 31.823 -0.216 0.000 0.670 122 V HN 0.456 nan 8.190 nan 0.000 0.461 123 H N 1.504 120.564 119.070 -0.016 0.000 2.559 123 H HA 0.219 4.775 4.556 0.000 0.000 0.273 123 H C 2.083 177.403 175.328 -0.015 0.000 1.000 123 H CA 0.788 56.825 56.048 -0.020 0.000 1.195 123 H CB -0.040 29.711 29.762 -0.019 0.000 1.368 123 H HN 0.733 nan 8.280 nan 0.000 0.592 124 G N 0.243 109.092 108.800 0.083 0.000 2.137 124 G HA2 -0.217 3.743 3.960 0.000 0.000 0.237 124 G HA3 -0.217 3.743 3.960 0.000 0.000 0.237 124 G C 0.421 175.346 174.900 0.041 0.000 1.002 124 G CA 0.287 45.416 45.100 0.047 0.000 0.702 124 G HN 0.697 nan 8.290 nan 0.000 0.515 125 A N -0.148 122.703 122.820 0.052 0.000 2.351 125 A HA 0.746 5.066 4.320 0.000 0.000 0.257 125 A C 0.795 178.389 177.584 0.017 0.000 1.087 125 A CA -0.243 51.813 52.037 0.033 0.000 0.798 125 A CB 0.397 19.422 19.000 0.041 0.000 1.033 125 A HN 0.484 nan 8.150 nan 0.000 0.488 126 R N 1.172 121.674 120.500 0.003 0.000 2.216 126 R HA 0.355 4.695 4.340 0.000 0.000 0.332 126 R C -0.941 175.356 176.300 -0.004 0.000 1.056 126 R CA 0.146 56.241 56.100 -0.007 0.000 0.901 126 R CB 0.375 30.660 30.300 -0.025 0.000 1.039 126 R HN 0.626 nan 8.270 nan 0.000 0.456 127 I N 3.104 123.675 120.570 0.001 0.000 2.385 127 I HA 0.267 4.437 4.170 0.000 0.000 0.294 127 I C -0.201 175.918 176.117 0.002 0.000 0.988 127 I CA -0.883 60.421 61.300 0.007 0.000 1.265 127 I CB 1.813 39.822 38.000 0.014 0.000 1.388 127 I HN 0.185 nan 8.210 nan 0.000 0.480 128 V N 6.093 126.011 119.914 0.006 0.000 2.443 128 V HA 0.293 4.413 4.120 0.000 0.000 0.293 128 V C -0.406 175.699 176.094 0.017 0.000 1.021 128 V CA -0.648 61.655 62.300 0.004 0.000 0.848 128 V CB 1.612 33.431 31.823 -0.006 0.000 0.998 128 V HN 0.684 nan 8.190 nan 0.000 0.424 129 Q N 3.443 123.254 119.800 0.019 0.000 2.314 129 Q HA 0.614 4.954 4.340 0.000 0.000 0.259 129 Q C -0.529 175.488 176.000 0.030 0.000 0.951 129 Q CA -0.580 55.240 55.803 0.030 0.000 0.909 129 Q CB 2.532 31.286 28.738 0.026 0.000 1.236 129 Q HN 0.744 nan 8.270 nan 0.000 0.444 130 V N -0.205 119.732 119.914 0.039 0.000 2.612 130 V HA 0.363 4.483 4.120 0.000 0.000 0.301 130 V C -0.030 176.093 176.094 0.050 0.000 1.046 130 V CA -0.903 61.418 62.300 0.035 0.000 0.946 130 V CB 1.580 33.418 31.823 0.025 0.000 1.003 130 V HN 0.728 nan 8.190 nan 0.000 0.459 131 E N 3.021 123.246 120.200 0.042 0.000 1.979 131 E HA 0.560 4.910 4.350 0.000 0.000 0.285 131 E C 0.374 177.006 176.600 0.053 0.000 1.188 131 E CA 0.244 56.676 56.400 0.052 0.000 1.214 131 E CB 0.362 30.085 29.700 0.039 0.000 1.210 131 E HN 1.072 nan 8.360 nan 0.000 0.477 132 G N 1.572 110.412 108.800 0.067 0.000 2.488 132 G HA2 0.169 4.129 3.960 0.000 0.000 0.301 132 G HA3 0.169 4.129 3.960 0.000 0.000 0.301 132 G C -1.109 173.832 174.900 0.069 0.000 1.339 132 G CA -0.961 44.170 45.100 0.052 0.000 0.803 132 G HN 0.331 nan 8.290 nan 0.000 0.482 133 N N -1.412 117.311 118.700 0.039 0.000 2.538 133 N HA 0.481 5.221 4.740 0.000 0.000 0.292 133 N C 1.050 176.606 175.510 0.076 0.000 1.262 133 N CA -0.706 52.376 53.050 0.054 0.000 0.976 133 N CB 0.551 39.041 38.487 0.005 0.000 1.161 133 N HN 0.446 nan 8.380 nan 0.000 0.598 134 F N 0.241 120.197 119.950 0.010 0.000 2.120 134 F HA -0.189 4.338 4.527 -0.000 0.000 0.300 134 F C 1.331 177.144 175.800 0.021 0.000 1.095 134 F CA 1.799 59.812 58.000 0.021 0.000 1.249 134 F CB -0.366 38.646 39.000 0.019 0.000 0.995 134 F HN 0.417 nan 8.300 nan 0.000 0.480 135 D N 0.408 120.714 120.400 -0.156 0.000 2.149 135 D HA -0.201 4.439 4.640 0.000 0.000 0.198 135 D C 1.792 177.946 176.300 -0.243 0.000 0.990 135 D CA 1.688 55.552 54.000 -0.227 0.000 0.839 135 D CB -0.466 40.330 40.800 -0.006 0.000 0.948 135 D HN 0.420 nan 8.370 nan 0.000 0.460 136 D N 0.881 121.193 120.400 -0.147 0.000 2.097 136 D HA -0.075 4.565 4.640 0.000 0.000 0.197 136 D C 2.146 178.359 176.300 -0.144 0.000 0.984 136 D CA 1.063 55.000 54.000 -0.105 0.000 0.826 136 D CB -0.332 40.441 40.800 -0.045 0.000 0.973 136 D HN 0.111 nan 8.370 nan 0.000 0.460 137 A N 1.010 123.723 122.820 -0.177 0.000 1.940 137 A HA -0.169 4.151 4.320 0.000 0.000 0.219 137 A C 2.187 179.630 177.584 -0.235 0.000 1.176 137 A CA 1.104 53.045 52.037 -0.160 0.000 0.631 137 A CB -0.716 18.225 19.000 -0.098 0.000 0.814 137 A HN 0.225 nan 8.150 nan 0.000 0.446 138 L N 0.677 121.623 121.223 -0.462 0.000 2.027 138 L HA -0.172 4.168 4.340 0.000 0.000 0.206 138 L C 2.651 179.408 176.870 -0.188 0.000 1.074 138 L CA 2.467 57.070 54.840 -0.396 0.000 0.745 138 L CB -0.562 41.120 42.059 -0.629 0.000 0.898 138 L HN 0.551 nan 8.230 nan 0.000 0.433 139 R N -0.870 119.533 120.500 -0.163 0.000 2.115 139 R HA -0.109 4.231 4.340 0.000 0.000 0.230 139 R C 2.212 178.479 176.300 -0.055 0.000 1.111 139 R CA 1.610 57.659 56.100 -0.084 0.000 0.976 139 R CB -0.923 29.336 30.300 -0.068 0.000 0.870 139 R HN 0.361 nan 8.270 nan 0.000 0.445 140 L N 0.978 122.165 121.223 -0.060 0.000 2.072 140 L HA -0.081 4.259 4.340 0.000 0.000 0.205 140 L C 2.234 179.097 176.870 -0.012 0.000 1.079 140 L CA 1.512 56.336 54.840 -0.027 0.000 0.752 140 L CB -0.546 41.498 42.059 -0.026 0.000 0.906 140 L HN 0.236 nan 8.230 nan 0.000 0.436 141 T N -1.055 113.481 114.554 -0.030 0.000 2.788 141 T HA -0.221 4.129 4.350 0.000 0.000 0.268 141 T C 1.878 176.583 174.700 0.008 0.000 1.044 141 T CA 1.172 63.267 62.100 -0.010 0.000 1.139 141 T CB -0.124 68.734 68.868 -0.018 0.000 0.867 141 T HN 0.354 nan 8.240 nan 0.000 0.454 142 Q N 0.361 120.158 119.800 -0.004 0.000 2.119 142 Q HA -0.007 4.333 4.340 0.000 0.000 0.201 142 Q C 2.392 178.406 176.000 0.023 0.000 0.972 142 Q CA 0.913 56.721 55.803 0.009 0.000 0.847 142 Q CB 0.009 28.744 28.738 -0.004 0.000 0.903 142 Q HN 0.363 nan 8.270 nan 0.000 0.433 143 K N 0.270 120.683 120.400 0.022 0.000 2.217 143 K HA -0.098 4.222 4.320 0.000 0.000 0.202 143 K C 1.981 178.628 176.600 0.077 0.000 1.051 143 K CA 0.501 56.809 56.287 0.035 0.000 0.952 143 K CB -0.013 32.502 32.500 0.025 0.000 0.736 143 K HN 0.142 nan 8.250 nan 0.000 0.453 144 L N 1.462 122.743 121.223 0.097 0.000 2.093 144 L HA -0.124 4.216 4.340 0.000 0.000 0.208 144 L C 2.208 179.215 176.870 0.229 0.000 1.085 144 L CA 1.828 56.779 54.840 0.185 0.000 0.755 144 L CB -0.646 41.470 42.059 0.095 0.000 0.904 144 L HN 0.199 nan 8.230 nan 0.000 0.435 145 T N -4.706 109.923 114.554 0.126 0.000 3.160 145 T HA -0.032 4.318 4.350 0.000 0.000 0.257 145 T C 1.501 176.257 174.700 0.094 0.000 1.147 145 T CA 0.968 63.136 62.100 0.113 0.000 1.064 145 T CB -0.220 68.688 68.868 0.066 0.000 0.949 145 T HN 0.437 nan 8.240 nan 0.000 0.526 146 E N 0.434 120.681 120.200 0.079 0.000 2.307 146 E HA 0.379 4.729 4.350 0.000 0.000 0.195 146 E C 2.224 178.825 176.600 0.002 0.000 0.975 146 E CA 0.464 56.885 56.400 0.034 0.000 0.878 146 E CB 0.047 29.758 29.700 0.018 0.000 0.845 146 E HN 0.602 nan 8.360 nan 0.000 0.488 147 A N 0.071 122.895 122.820 0.007 0.000 2.147 147 A HA 0.184 4.504 4.320 0.000 0.000 0.211 147 A C 0.174 177.503 177.584 -0.425 0.000 1.160 147 A CA 0.351 52.272 52.037 -0.193 0.000 0.781 147 A CB 0.207 19.076 19.000 -0.218 0.000 0.842 147 A HN 0.082 nan 8.150 nan 0.000 0.475 148 F N -0.732 119.220 119.950 0.003 0.000 2.576 148 F HA 0.440 4.967 4.527 0.000 0.000 0.313 148 F C -2.355 173.449 175.800 0.006 0.000 1.078 148 F CA -2.539 55.464 58.000 0.005 0.000 0.921 148 F CB 1.873 40.876 39.000 0.006 0.000 1.232 148 F HN -0.170 nan 8.300 nan 0.000 0.459 149 P HA 0.168 nan 4.420 nan 0.000 0.244 149 P C -0.975 176.391 177.300 0.110 0.000 1.769 149 P CA 0.246 63.414 63.100 0.113 0.000 1.102 149 P CB 0.315 32.064 31.700 0.082 0.000 1.937 150 V N 2.139 122.119 119.914 0.109 0.000 2.638 150 V HA 0.549 4.669 4.120 0.000 0.000 0.306 150 V C 0.314 176.443 176.094 0.059 0.000 1.052 150 V CA -1.181 61.163 62.300 0.073 0.000 0.885 150 V CB 2.135 33.995 31.823 0.062 0.000 0.999 150 V HN 0.407 nan 8.190 nan 0.000 0.424 151 A N 4.569 127.417 122.820 0.046 0.000 2.404 151 A HA 0.598 4.918 4.320 0.000 0.000 0.273 151 A C -0.492 177.116 177.584 0.040 0.000 1.144 151 A CA -0.155 51.909 52.037 0.044 0.000 0.806 151 A CB 0.116 19.142 19.000 0.044 0.000 1.080 151 A HN 0.866 nan 8.150 nan 0.000 0.509 152 L N 4.394 125.641 121.223 0.040 0.000 2.361 152 L HA 0.360 4.700 4.340 0.000 0.000 0.278 152 L C 0.784 177.675 176.870 0.035 0.000 1.113 152 L CA 0.556 55.417 54.840 0.035 0.000 0.849 152 L CB 1.237 43.316 42.059 0.033 0.000 1.155 152 L HN 0.670 nan 8.230 nan 0.000 0.452 153 V N 0.970 120.903 119.914 0.031 0.000 3.121 153 V HA 0.408 4.528 4.120 0.000 0.000 0.344 153 V C 0.742 176.852 176.094 0.026 0.000 1.390 153 V CA -0.539 61.776 62.300 0.025 0.000 1.177 153 V CB -1.290 30.538 31.823 0.007 0.000 1.163 153 V HN 0.817 nan 8.190 nan 0.000 0.484 154 N N 1.432 120.157 118.700 0.043 0.000 2.381 154 N HA 0.184 4.924 4.740 0.000 0.000 0.254 154 N C 1.594 177.139 175.510 0.058 0.000 1.264 154 N CA 0.582 53.671 53.050 0.066 0.000 0.942 154 N CB 0.913 39.455 38.487 0.090 0.000 1.190 154 N HN 0.397 nan 8.380 nan 0.000 0.495 155 S N -0.648 115.098 115.700 0.076 0.000 2.462 155 S HA -0.161 4.309 4.470 0.000 0.000 0.243 155 S C 1.774 176.407 174.600 0.054 0.000 1.003 155 S CA 0.697 58.938 58.200 0.068 0.000 0.970 155 S CB -0.423 62.831 63.200 0.089 0.000 0.762 155 S HN 0.436 nan 8.310 nan 0.000 0.510 156 V N 2.219 122.166 119.914 0.055 0.000 2.867 156 V HA -0.022 4.098 4.120 0.000 0.000 0.260 156 V C 0.805 176.904 176.094 0.009 0.000 1.099 156 V CA 1.224 63.545 62.300 0.036 0.000 1.122 156 V CB -0.978 30.867 31.823 0.036 0.000 0.708 156 V HN 0.596 nan 8.190 nan 0.000 0.490 157 N N 0.751 119.456 118.700 0.008 0.000 2.405 157 N HA 0.136 4.876 4.740 0.000 0.000 0.260 157 N C -1.654 173.828 175.510 -0.047 0.000 1.152 157 N CA -1.644 51.393 53.050 -0.022 0.000 0.948 157 N CB 1.540 40.036 38.487 0.016 0.000 1.111 157 N HN 0.175 nan 8.380 nan 0.000 0.485 158 P HA -0.151 nan 4.420 nan 0.000 0.217 158 P C 0.784 178.039 177.300 -0.075 0.000 1.148 158 P CA 1.235 64.264 63.100 -0.118 0.000 0.828 158 P CB 0.113 31.705 31.700 -0.179 0.000 0.783 159 H N -1.063 118.003 119.070 -0.006 0.000 2.456 159 H HA -0.019 4.537 4.556 0.000 0.000 0.296 159 H C 2.078 177.387 175.328 -0.031 0.000 1.079 159 H CA 1.011 57.048 56.048 -0.018 0.000 1.322 159 H CB -0.267 29.483 29.762 -0.020 0.000 1.388 159 H HN 0.070 nan 8.280 nan 0.000 0.538 160 R N 0.563 121.113 120.500 0.083 0.000 2.081 160 R HA -0.048 4.292 4.340 0.000 0.000 0.235 160 R C 2.531 178.845 176.300 0.023 0.000 1.131 160 R CA 0.601 56.720 56.100 0.033 0.000 0.960 160 R CB -0.525 29.791 30.300 0.028 0.000 0.856 160 R HN 0.349 nan 8.270 nan 0.000 0.436 161 L N 0.436 121.671 121.223 0.021 0.000 2.179 161 L HA -0.046 4.294 4.340 0.000 0.000 0.208 161 L C 2.259 179.104 176.870 -0.041 0.000 1.096 161 L CA 0.754 55.595 54.840 0.002 0.000 0.779 161 L CB -0.400 41.665 42.059 0.010 0.000 0.922 161 L HN 0.056 nan 8.230 nan 0.000 0.443 162 E N 0.740 120.931 120.200 -0.015 0.000 2.110 162 E HA -0.144 4.206 4.350 0.000 0.000 0.193 162 E C 2.175 178.728 176.600 -0.078 0.000 0.988 162 E CA 1.399 57.781 56.400 -0.029 0.000 0.804 162 E CB -0.163 29.569 29.700 0.054 0.000 0.745 162 E HN 0.512 nan 8.360 nan 0.000 0.458 163 G N 0.919 109.690 108.800 -0.048 0.000 2.394 163 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 163 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 163 G C 1.466 176.294 174.900 -0.121 0.000 1.165 163 G CA 0.227 45.285 45.100 -0.070 0.000 0.784 163 G HN 0.238 nan 8.290 nan 0.000 0.535 164 Q N 0.324 120.065 119.800 -0.099 0.000 2.369 164 Q HA -0.009 4.331 4.340 0.000 0.000 0.206 164 Q C 2.337 178.159 176.000 -0.297 0.000 0.963 164 Q CA 1.038 56.781 55.803 -0.100 0.000 0.894 164 Q CB -0.030 28.738 28.738 0.050 0.000 0.965 164 Q HN 0.691 nan 8.270 nan 0.000 0.475 165 K N 0.460 120.620 120.400 -0.400 0.000 2.362 165 K HA -0.071 4.249 4.320 0.000 0.000 0.200 165 K C 1.755 177.674 176.600 -1.134 0.000 1.046 165 K CA 1.597 57.482 56.287 -0.669 0.000 0.952 165 K CB -0.286 31.845 32.500 -0.614 0.000 0.753 165 K HN 0.087 nan 8.250 nan 0.000 0.466 166 T N -0.057 113.924 114.554 -0.954 0.000 2.929 166 T HA -0.117 4.233 4.350 0.000 0.000 0.271 166 T C 1.835 176.116 174.700 -0.698 0.000 1.085 166 T CA 0.776 62.249 62.100 -1.045 0.000 1.125 166 T CB -0.316 68.260 68.868 -0.485 0.000 0.874 166 T HN 0.308 nan 8.240 nan 0.000 0.494 167 L N 0.727 121.613 121.223 -0.562 0.000 2.046 167 L HA 0.011 4.351 4.340 0.000 0.000 0.208 167 L C 2.949 179.529 176.870 -0.483 0.000 1.077 167 L CA 1.555 56.154 54.840 -0.402 0.000 0.747 167 L CB -0.754 41.049 42.059 -0.425 0.000 0.896 167 L HN 0.381 nan 8.230 nan 0.000 0.432 168 A N -0.199 122.135 122.820 -0.811 0.000 1.902 168 A HA -0.224 4.096 4.320 0.000 0.000 0.217 168 A C 2.099 179.261 177.584 -0.703 0.000 1.181 168 A CA 1.700 53.129 52.037 -1.013 0.000 0.623 168 A CB -1.081 17.035 19.000 -1.474 0.000 0.818 168 A HN 0.541 nan 8.150 nan 0.000 0.443 169 F N -0.092 119.311 119.950 -0.912 0.000 2.095 169 F HA -0.218 4.309 4.527 0.000 0.000 0.298 169 F C 2.604 178.153 175.800 -0.418 0.000 1.104 169 F CA 1.275 58.604 58.000 -1.119 0.000 1.232 169 F CB -0.299 37.885 39.000 -1.359 0.000 0.987 169 F HN 0.317 nan 8.300 nan 0.000 0.475 170 E N 0.177 120.369 120.200 -0.014 0.000 2.110 170 E HA -0.174 4.176 4.350 0.000 0.000 0.193 170 E C 2.205 178.855 176.600 0.083 0.000 0.988 170 E CA 1.174 57.653 56.400 0.131 0.000 0.804 170 E CB -0.176 29.596 29.700 0.120 0.000 0.745 170 E HN 0.199 nan 8.360 nan 0.000 0.458 171 V N 0.659 120.590 119.914 0.028 0.000 2.358 171 V HA -0.213 3.907 4.120 0.000 0.000 0.246 171 V C 2.279 178.436 176.094 0.103 0.000 1.047 171 V CA 1.248 63.593 62.300 0.076 0.000 1.035 171 V CB -0.228 31.691 31.823 0.160 0.000 0.658 171 V HN 0.134 nan 8.190 nan 0.000 0.452 172 V N 0.026 120.023 119.914 0.139 0.000 2.358 172 V HA -0.229 3.891 4.120 0.000 0.000 0.246 172 V C 2.286 178.504 176.094 0.206 0.000 1.047 172 V CA 2.022 64.455 62.300 0.220 0.000 1.035 172 V CB -0.717 31.333 31.823 0.379 0.000 0.658 172 V HN 0.523 nan 8.190 nan 0.000 0.452 173 D N -0.176 120.369 120.400 0.242 0.000 2.133 173 D HA -0.214 4.426 4.640 0.000 0.000 0.195 173 D C 2.197 178.566 176.300 0.116 0.000 0.997 173 D CA 1.737 55.862 54.000 0.209 0.000 0.840 173 D CB -0.040 40.902 40.800 0.237 0.000 0.947 173 D HN 0.581 nan 8.370 nan 0.000 0.452 174 E N -0.379 119.875 120.200 0.089 0.000 2.060 174 E HA -0.001 4.349 4.350 0.000 0.000 0.189 174 E C 2.162 178.766 176.600 0.006 0.000 0.974 174 E CA 0.214 56.640 56.400 0.044 0.000 0.808 174 E CB 0.099 29.818 29.700 0.033 0.000 0.768 174 E HN 0.186 nan 8.360 nan 0.000 0.453 175 L N -0.887 120.325 121.223 -0.019 0.000 2.395 175 L HA 0.144 4.484 4.340 0.000 0.000 0.218 175 L C 1.680 178.548 176.870 -0.004 0.000 1.130 175 L CA 0.658 55.461 54.840 -0.060 0.000 0.826 175 L CB 0.067 42.051 42.059 -0.125 0.000 0.941 175 L HN 0.474 nan 8.230 nan 0.000 0.451 176 G N -0.207 108.613 108.800 0.034 0.000 2.195 176 G HA2 -0.263 3.697 3.960 0.000 0.000 0.246 176 G HA3 -0.263 3.697 3.960 0.000 0.000 0.246 176 G C -0.105 174.824 174.900 0.048 0.000 0.984 176 G CA 0.326 45.449 45.100 0.039 0.000 0.633 176 G HN 0.416 nan 8.290 nan 0.000 0.525 177 D N -1.127 119.310 120.400 0.063 0.000 2.710 177 D HA 0.644 5.284 4.640 0.000 0.000 0.276 177 D C 0.096 176.457 176.300 0.102 0.000 1.267 177 D CA 0.595 54.640 54.000 0.074 0.000 0.772 177 D CB 0.571 41.383 40.800 0.020 0.000 1.299 177 D HN 0.962 nan 8.370 nan 0.000 0.421 178 A N 1.285 124.181 122.820 0.128 0.000 2.386 178 A HA 0.624 4.944 4.320 0.000 0.000 0.248 178 A C -2.213 175.348 177.584 -0.039 0.000 1.082 178 A CA -0.683 51.442 52.037 0.146 0.000 0.789 178 A CB -0.008 19.058 19.000 0.111 0.000 1.025 178 A HN 0.422 nan 8.150 nan 0.000 0.490 179 P HA 0.190 nan 4.420 nan 0.000 0.276 179 P C -0.275 176.925 177.300 -0.166 0.000 1.261 179 P CA -0.019 63.046 63.100 -0.057 0.000 0.800 179 P CB 0.478 32.202 31.700 0.039 0.000 1.066 180 H N -0.773 118.255 119.070 -0.070 0.000 2.395 180 H HA 0.029 4.585 4.556 0.000 0.000 0.299 180 H C 0.020 175.047 175.328 -0.501 0.000 1.070 180 H CA 1.758 57.631 56.048 -0.292 0.000 1.356 180 H CB -0.457 29.115 29.762 -0.318 0.000 1.401 180 H HN 0.411 nan 8.280 nan 0.000 0.524 181 Y N -1.511 118.861 120.300 0.120 0.000 2.492 181 Y HA 0.356 4.906 4.550 0.000 0.000 0.346 181 Y C -0.722 175.227 175.900 0.081 0.000 0.997 181 Y CA -1.160 56.985 58.100 0.075 0.000 1.025 181 Y CB 1.694 40.201 38.460 0.078 0.000 1.263 181 Y HN 0.043 nan 8.280 nan 0.000 0.454 182 H N 1.216 120.383 119.070 0.162 0.000 2.970 182 H HA 0.773 5.329 4.556 0.000 0.000 0.315 182 H C -1.221 174.178 175.328 0.119 0.000 0.992 182 H CA -0.651 55.486 56.048 0.148 0.000 1.363 182 H CB 0.714 30.569 29.762 0.155 0.000 1.532 182 H HN 0.908 nan 8.280 nan 0.000 0.514 183 A N 5.205 128.231 122.820 0.344 0.000 2.303 183 A HA 0.731 5.051 4.320 0.000 0.000 0.317 183 A C -0.851 176.888 177.584 0.258 0.000 1.149 183 A CA -0.503 51.711 52.037 0.295 0.000 0.822 183 A CB 0.435 19.616 19.000 0.302 0.000 1.131 183 A HN 0.738 nan 8.150 nan 0.000 0.493 184 L N -1.061 120.251 121.223 0.147 0.000 2.869 184 L HA 0.758 5.098 4.340 0.000 0.000 0.265 184 L C -3.271 173.612 176.870 0.022 0.000 1.011 184 L CA -2.146 52.706 54.840 0.021 0.000 0.913 184 L CB 1.844 43.760 42.059 -0.238 0.000 1.490 184 L HN 0.361 nan 8.230 nan 0.000 0.410 185 P HA 0.432 nan 4.420 nan 0.000 0.279 185 P C -1.254 176.000 177.300 -0.078 0.000 1.252 185 P CA -0.461 62.645 63.100 0.011 0.000 0.811 185 P CB 1.557 33.273 31.700 0.028 0.000 1.035 186 V N 1.469 121.340 119.914 -0.072 0.000 2.443 186 V HA 0.550 4.670 4.120 0.000 0.000 0.293 186 V C 0.804 176.844 176.094 -0.090 0.000 1.021 186 V CA 0.122 62.353 62.300 -0.115 0.000 0.848 186 V CB 0.998 32.719 31.823 -0.170 0.000 0.998 186 V HN 0.838 nan 8.190 nan 0.000 0.424 187 G N 2.946 111.701 108.800 -0.075 0.000 2.478 187 G HA2 0.017 3.977 3.960 0.000 0.000 0.211 187 G HA3 0.017 3.977 3.960 0.000 0.000 0.211 187 G C 0.786 175.644 174.900 -0.070 0.000 1.726 187 G CA 0.278 45.330 45.100 -0.080 0.000 0.725 187 G HN 0.551 nan 8.290 nan 0.000 0.654 188 N N 0.423 119.093 118.700 -0.049 0.000 2.336 188 N HA 0.290 5.030 4.740 0.000 0.000 0.189 188 N C 1.228 176.756 175.510 0.031 0.000 1.113 188 N CA 1.061 54.129 53.050 0.031 0.000 0.858 188 N CB 0.335 38.866 38.487 0.074 0.000 0.970 188 N HN 0.650 nan 8.380 nan 0.000 0.471 189 A N -1.849 120.959 122.820 -0.020 0.000 3.172 189 A HA -0.178 4.142 4.320 0.000 0.000 0.263 189 A C 1.724 179.308 177.584 -0.001 0.000 1.215 189 A CA 1.425 53.436 52.037 -0.042 0.000 1.065 189 A CB -2.337 16.625 19.000 -0.063 0.000 1.148 189 A HN 0.430 nan 8.150 nan 0.000 0.904 190 G N -0.209 108.617 108.800 0.043 0.000 2.404 190 G HA2 -0.177 3.783 3.960 0.000 0.000 0.215 190 G HA3 -0.177 3.783 3.960 0.000 0.000 0.215 190 G C 1.226 176.162 174.900 0.060 0.000 1.174 190 G CA 1.431 46.572 45.100 0.070 0.000 0.780 190 G HN 0.639 nan 8.290 nan 0.000 0.537 191 N N 0.561 119.283 118.700 0.037 0.000 2.084 191 N HA -0.065 4.675 4.740 0.000 0.000 0.190 191 N C 2.138 177.609 175.510 -0.065 0.000 1.030 191 N CA 1.029 54.051 53.050 -0.046 0.000 0.849 191 N CB -0.299 37.962 38.487 -0.376 0.000 1.012 191 N HN 0.385 nan 8.380 nan 0.000 0.423 192 I N 0.127 120.596 120.570 -0.167 0.000 2.286 192 I HA -0.245 3.925 4.170 0.000 0.000 0.248 192 I C 1.375 177.500 176.117 0.014 0.000 1.115 192 I CA 1.188 62.386 61.300 -0.171 0.000 1.392 192 I CB -0.298 37.582 38.000 -0.200 0.000 1.065 192 I HN 0.114 nan 8.210 nan 0.000 0.418 193 T N 1.119 115.692 114.554 0.032 0.000 2.746 193 T HA -0.112 4.238 4.350 0.000 0.000 0.267 193 T C 1.948 176.723 174.700 0.124 0.000 1.039 193 T CA 1.369 63.528 62.100 0.098 0.000 1.142 193 T CB -0.408 68.502 68.868 0.070 0.000 0.866 193 T HN 0.551 nan 8.240 nan 0.000 0.444 194 A N 1.186 124.054 122.820 0.080 0.000 1.898 194 A HA -0.138 4.182 4.320 0.000 0.000 0.216 194 A C 2.001 179.571 177.584 -0.023 0.000 1.181 194 A CA 1.721 53.764 52.037 0.011 0.000 0.620 194 A CB -0.912 18.085 19.000 -0.005 0.000 0.819 194 A HN 0.511 nan 8.150 nan 0.000 0.442 195 H N -1.942 117.064 119.070 -0.107 0.000 2.319 195 H HA -0.187 4.369 4.556 0.000 0.000 0.299 195 H C 1.819 177.217 175.328 0.117 0.000 1.092 195 H CA 1.928 57.907 56.048 -0.115 0.000 1.302 195 H CB -0.326 29.358 29.762 -0.131 0.000 1.373 195 H HN 0.742 nan 8.280 nan 0.000 0.497 196 W N 0.687 122.053 121.300 0.111 0.000 2.358 196 W HA -0.241 4.419 4.660 0.000 0.000 0.303 196 W C 1.854 178.415 176.519 0.071 0.000 1.208 196 W CA 1.073 58.487 57.345 0.114 0.000 1.274 196 W CB -0.145 29.341 29.460 0.044 0.000 1.138 196 W HN 0.234 nan 8.180 nan 0.000 0.515 197 M N 0.489 120.088 119.600 -0.001 0.000 2.082 197 M HA -0.189 4.291 4.480 0.000 0.000 0.258 197 M C 2.402 178.596 176.300 -0.178 0.000 1.069 197 M CA 2.318 57.539 55.300 -0.131 0.000 1.102 197 M CB -1.270 31.284 32.600 -0.077 0.000 1.336 197 M HN 0.050 nan 8.290 nan 0.000 0.404 198 G N -1.082 107.550 108.800 -0.280 0.000 2.421 198 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 198 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 198 G C 1.231 176.058 174.900 -0.121 0.000 1.171 198 G CA 0.760 45.622 45.100 -0.397 0.000 0.775 198 G HN 0.427 nan 8.290 nan 0.000 0.543 199 Y N 0.765 120.991 120.300 -0.123 0.000 2.224 199 Y HA -0.068 4.482 4.550 0.000 0.000 0.289 199 Y C 2.990 178.793 175.900 -0.162 0.000 1.146 199 Y CA 1.499 59.552 58.100 -0.079 0.000 1.182 199 Y CB 0.034 38.465 38.460 -0.048 0.000 0.983 199 Y HN 0.110 nan 8.280 nan 0.000 0.524 200 K N -0.156 120.079 120.400 -0.276 0.000 2.057 200 K HA -0.167 4.153 4.320 0.000 0.000 0.206 200 K C 2.385 178.965 176.600 -0.034 0.000 1.050 200 K CA 1.044 57.136 56.287 -0.324 0.000 0.935 200 K CB -0.332 31.822 32.500 -0.576 0.000 0.715 200 K HN 0.264 nan 8.250 nan 0.000 0.439 201 A N 0.562 123.403 122.820 0.034 0.000 1.858 201 A HA -0.203 4.117 4.320 0.000 0.000 0.216 201 A C 1.989 179.671 177.584 0.163 0.000 1.190 201 A CA 1.439 53.545 52.037 0.116 0.000 0.617 201 A CB -0.881 18.249 19.000 0.217 0.000 0.827 201 A HN 0.277 nan 8.150 nan 0.000 0.443 202 Y N -0.309 119.991 120.300 -0.000 0.000 2.224 202 Y HA -0.216 4.334 4.550 0.000 0.000 0.289 202 Y C 2.506 178.397 175.900 -0.014 0.000 1.146 202 Y CA 1.441 59.498 58.100 -0.071 0.000 1.182 202 Y CB -0.713 37.734 38.460 -0.022 0.000 0.983 202 Y HN 0.613 nan 8.280 nan 0.000 0.524 203 H N -0.607 118.528 119.070 0.108 0.000 2.357 203 H HA -0.118 4.438 4.556 0.000 0.000 0.301 203 H C 2.115 177.431 175.328 -0.019 0.000 1.082 203 H CA 1.318 57.384 56.048 0.029 0.000 1.342 203 H CB 0.024 29.790 29.762 0.007 0.000 1.389 203 H HN 0.319 nan 8.280 nan 0.000 0.511 204 A N 1.152 123.979 122.820 0.012 0.000 1.972 204 A HA -0.069 4.251 4.320 0.000 0.000 0.219 204 A C 2.532 180.050 177.584 -0.110 0.000 1.169 204 A CA 1.022 53.032 52.037 -0.045 0.000 0.635 204 A CB -0.622 18.381 19.000 0.004 0.000 0.810 204 A HN 0.440 nan 8.150 nan 0.000 0.446 205 L N -1.315 119.834 121.223 -0.124 0.000 2.591 205 L HA 0.198 4.538 4.340 0.000 0.000 0.228 205 L C 1.680 178.429 176.870 -0.203 0.000 1.133 205 L CA 0.477 55.218 54.840 -0.165 0.000 0.880 205 L CB -0.301 41.632 42.059 -0.209 0.000 1.033 205 L HN 0.576 nan 8.230 nan 0.000 0.450 206 G N 0.442 109.108 108.800 -0.223 0.000 2.179 206 G HA2 -0.327 3.633 3.960 0.000 0.000 0.260 206 G HA3 -0.327 3.633 3.960 0.000 0.000 0.260 206 G C 1.032 175.809 174.900 -0.204 0.000 0.977 206 G CA 0.545 45.515 45.100 -0.216 0.000 0.641 206 G HN 0.393 nan 8.290 nan 0.000 0.533 207 K N 0.035 120.274 120.400 -0.268 0.000 2.296 207 K HA 0.420 4.740 4.320 0.000 0.000 0.200 207 K C 1.189 177.725 176.600 -0.106 0.000 1.048 207 K CA 1.066 57.162 56.287 -0.318 0.000 0.966 207 K CB 0.227 32.221 32.500 -0.844 0.000 0.754 207 K HN 0.714 nan 8.250 nan 0.000 0.466 208 A N 0.741 123.553 122.820 -0.013 0.000 2.356 208 A HA 0.332 4.652 4.320 0.000 0.000 0.310 208 A C 0.134 177.769 177.584 0.085 0.000 1.075 208 A CA -0.720 51.387 52.037 0.117 0.000 0.746 208 A CB 1.191 20.363 19.000 0.287 0.000 1.221 208 A HN -0.137 nan 8.150 nan 0.000 0.443 209 K N 0.760 121.207 120.400 0.079 0.000 2.314 209 K HA 0.058 4.378 4.320 0.000 0.000 0.198 209 K C 0.831 177.553 176.600 0.203 0.000 1.045 209 K CA 0.680 57.011 56.287 0.073 0.000 0.988 209 K CB 0.180 32.696 32.500 0.026 0.000 0.783 209 K HN 0.718 nan 8.250 nan 0.000 0.484 210 R N 0.437 121.035 120.500 0.163 0.000 2.668 210 R HA 0.414 4.754 4.340 0.000 0.000 0.279 210 R C -0.957 175.362 176.300 0.031 0.000 0.976 210 R CA -0.481 55.655 56.100 0.060 0.000 0.978 210 R CB 0.893 31.143 30.300 -0.082 0.000 1.133 210 R HN -0.074 nan 8.270 nan 0.000 0.484 211 L N 5.242 126.404 121.223 -0.102 0.000 2.319 211 L HA 0.493 4.833 4.340 0.000 0.000 0.281 211 L C -1.985 174.843 176.870 -0.070 0.000 1.005 211 L CA -2.141 52.633 54.840 -0.110 0.000 0.828 211 L CB 2.125 44.090 42.059 -0.157 0.000 1.227 211 L HN 0.594 nan 8.230 nan 0.000 0.415 212 P HA 0.180 nan 4.420 nan 0.000 0.274 212 P C -1.020 176.218 177.300 -0.103 0.000 1.237 212 P CA -0.533 62.446 63.100 -0.201 0.000 0.793 212 P CB 0.872 32.308 31.700 -0.441 0.000 0.977 213 R N 1.797 122.202 120.500 -0.158 0.000 2.254 213 R HA 0.383 4.723 4.340 0.000 0.000 0.318 213 R C 0.230 176.488 176.300 -0.070 0.000 1.031 213 R CA -0.673 55.343 56.100 -0.140 0.000 0.905 213 R CB 0.477 30.712 30.300 -0.108 0.000 1.050 213 R HN 0.436 nan 8.270 nan 0.000 0.456 214 M N 4.632 124.123 119.600 -0.181 0.000 2.162 214 M HA 0.234 4.714 4.480 0.000 0.000 0.356 214 M C -0.419 175.792 176.300 -0.150 0.000 1.303 214 M CA -0.174 55.040 55.300 -0.143 0.000 1.116 214 M CB 0.569 33.014 32.600 -0.257 0.000 1.632 214 M HN 0.431 nan 8.290 nan 0.000 0.469 215 L N 3.247 124.413 121.223 -0.094 0.000 2.324 215 L HA 0.593 4.933 4.340 0.000 0.000 0.274 215 L C 0.639 177.223 176.870 -0.476 0.000 1.012 215 L CA -0.671 54.024 54.840 -0.241 0.000 0.859 215 L CB 1.236 43.321 42.059 0.043 0.000 1.224 215 L HN 0.787 nan 8.230 nan 0.000 0.429 216 G N 2.253 110.641 108.800 -0.686 0.000 2.371 216 G HA2 0.717 4.677 3.960 0.000 0.000 0.326 216 G HA3 0.717 4.677 3.960 0.000 0.000 0.326 216 G C -1.192 173.146 174.900 -0.937 0.000 1.127 216 G CA -0.242 44.497 45.100 -0.602 0.000 0.885 216 G HN 0.278 nan 8.290 nan 0.000 0.477 217 F N -0.090 119.810 119.950 -0.083 0.000 2.556 217 F HA 0.470 4.997 4.527 -0.000 0.000 0.314 217 F C 0.362 176.121 175.800 -0.068 0.000 1.106 217 F CA -0.780 57.181 58.000 -0.065 0.000 0.911 217 F CB 2.467 41.444 39.000 -0.038 0.000 1.190 217 F HN 0.264 nan 8.300 nan 0.000 0.448 218 Q N 1.438 121.296 119.800 0.096 0.000 2.387 218 Q HA 0.766 5.106 4.340 0.000 0.000 0.273 218 Q C -0.742 175.286 176.000 0.046 0.000 1.089 218 Q CA -1.426 54.393 55.803 0.027 0.000 0.824 218 Q CB 2.688 31.400 28.738 -0.043 0.000 1.367 218 Q HN 0.776 nan 8.270 nan 0.000 0.443 219 A N 0.739 123.572 122.820 0.021 0.000 2.440 219 A HA 0.403 4.723 4.320 0.000 0.000 0.251 219 A C 1.046 178.636 177.584 0.010 0.000 1.089 219 A CA 0.510 52.558 52.037 0.018 0.000 0.779 219 A CB 0.320 19.323 19.000 0.006 0.000 1.022 219 A HN 0.924 nan 8.150 nan 0.000 0.492 220 A N 2.582 125.410 122.820 0.013 0.000 1.986 220 A HA 0.001 4.321 4.320 0.000 0.000 0.220 220 A C 2.030 179.616 177.584 0.002 0.000 1.171 220 A CA 2.196 54.238 52.037 0.008 0.000 0.640 220 A CB -0.849 18.157 19.000 0.009 0.000 0.811 220 A HN 1.423 nan 8.150 nan 0.000 0.451 221 G N -1.889 106.911 108.800 -0.000 0.000 2.813 221 G HA2 0.346 4.306 3.960 0.000 0.000 0.209 221 G HA3 0.346 4.306 3.960 0.000 0.000 0.209 221 G C 0.539 175.433 174.900 -0.009 0.000 1.150 221 G CA 0.863 45.960 45.100 -0.004 0.000 0.785 221 G HN 1.149 nan 8.290 nan 0.000 0.535 222 A N -0.123 122.690 122.820 -0.012 0.000 3.410 222 A HA 0.718 5.038 4.320 0.000 0.000 0.276 222 A C 0.278 177.845 177.584 -0.028 0.000 0.995 222 A CA 0.281 52.309 52.037 -0.016 0.000 0.934 222 A CB 0.326 19.313 19.000 -0.021 0.000 1.191 222 A HN 0.704 nan 8.150 nan 0.000 0.511 223 A N 1.877 124.681 122.820 -0.028 0.000 3.215 223 A HA 0.629 4.949 4.320 0.000 0.000 0.320 223 A C -1.248 176.294 177.584 -0.071 0.000 1.084 223 A CA -1.065 50.940 52.037 -0.054 0.000 0.969 223 A CB 0.131 19.112 19.000 -0.032 0.000 1.064 223 A HN 0.353 nan 8.150 nan 0.000 0.513 224 P HA -0.181 nan 4.420 nan 0.000 0.217 224 P C 1.422 178.566 177.300 -0.260 0.000 1.150 224 P CA 0.921 63.972 63.100 -0.081 0.000 0.832 224 P CB 0.175 31.853 31.700 -0.037 0.000 0.787 225 L N -0.934 119.998 121.223 -0.486 0.000 2.275 225 L HA -0.079 4.261 4.340 0.000 0.000 0.215 225 L C 2.578 179.307 176.870 -0.235 0.000 1.119 225 L CA 0.838 55.343 54.840 -0.558 0.000 0.790 225 L CB -0.515 41.191 42.059 -0.589 0.000 0.919 225 L HN -0.153 nan 8.230 nan 0.000 0.443 226 V N -0.565 119.258 119.914 -0.152 0.000 2.535 226 V HA -0.157 3.963 4.120 0.000 0.000 0.246 226 V C 2.115 178.195 176.094 -0.023 0.000 1.045 226 V CA 1.060 63.313 62.300 -0.078 0.000 1.058 226 V CB -0.131 31.658 31.823 -0.057 0.000 0.689 226 V HN 0.328 nan 8.190 nan 0.000 0.461 227 L N 0.581 121.803 121.223 -0.001 0.000 2.313 227 L HA 0.241 4.581 4.340 0.000 0.000 0.214 227 L C 1.866 178.792 176.870 0.094 0.000 1.119 227 L CA 1.050 55.915 54.840 0.042 0.000 0.809 227 L CB -0.641 41.448 42.059 0.050 0.000 0.933 227 L HN 0.560 nan 8.230 nan 0.000 0.449 228 G N 0.903 109.794 108.800 0.151 0.000 2.143 228 G HA2 -0.303 3.657 3.960 0.000 0.000 0.248 228 G HA3 -0.303 3.657 3.960 0.000 0.000 0.248 228 G C 0.213 175.341 174.900 0.379 0.000 0.991 228 G CA 0.432 45.709 45.100 0.294 0.000 0.689 228 G HN 0.416 nan 8.290 nan 0.000 0.522 229 R N -0.399 120.345 120.500 0.406 0.000 2.643 229 R HA 0.542 4.882 4.340 0.000 0.000 0.269 229 R C -2.960 173.578 176.300 0.397 0.000 1.037 229 R CA -1.847 54.431 56.100 0.298 0.000 0.894 229 R CB 1.747 32.124 30.300 0.129 0.000 1.238 229 R HN -0.000 nan 8.270 nan 0.000 0.459 230 P HA 0.019 nan 4.420 nan 0.000 0.269 230 P C -1.085 176.312 177.300 0.162 0.000 1.209 230 P CA -0.290 62.980 63.100 0.283 0.000 0.776 230 P CB 0.681 32.469 31.700 0.145 0.000 0.876 231 V N 4.168 124.163 119.914 0.135 0.000 2.350 231 V HA 0.080 4.200 4.120 0.000 0.000 0.276 231 V C 1.345 177.474 176.094 0.057 0.000 1.028 231 V CA -0.106 62.240 62.300 0.076 0.000 0.860 231 V CB 1.129 32.983 31.823 0.052 0.000 0.990 231 V HN 0.554 nan 8.190 nan 0.000 0.453 232 E N 3.419 123.642 120.200 0.040 0.000 2.047 232 E HA -0.025 4.325 4.350 0.000 0.000 0.191 232 E C 0.786 177.393 176.600 0.012 0.000 0.987 232 E CA 0.940 57.356 56.400 0.026 0.000 0.799 232 E CB 0.154 29.866 29.700 0.019 0.000 0.752 232 E HN 0.403 nan 8.360 nan 0.000 0.449 233 R N 1.545 122.047 120.500 0.004 0.000 3.050 233 R HA 0.259 4.599 4.340 0.000 0.000 0.275 233 R C -2.269 174.014 176.300 -0.028 0.000 1.373 233 R CA -1.799 54.291 56.100 -0.016 0.000 1.612 233 R CB 0.509 30.802 30.300 -0.012 0.000 1.218 233 R HN 0.120 nan 8.270 nan 0.000 0.621 234 P HA 0.077 nan 4.420 nan 0.000 0.268 234 P C -0.605 176.646 177.300 -0.082 0.000 1.204 234 P CA 0.207 63.284 63.100 -0.038 0.000 0.768 234 P CB 1.162 32.851 31.700 -0.017 0.000 0.842 235 E N 0.408 120.573 120.200 -0.059 0.000 2.343 235 E HA 0.606 4.956 4.350 0.000 0.000 0.278 235 E C -0.963 175.619 176.600 -0.030 0.000 0.910 235 E CA -0.736 55.625 56.400 -0.064 0.000 0.757 235 E CB 2.351 32.027 29.700 -0.039 0.000 1.218 235 E HN 0.443 nan 8.360 nan 0.000 0.435 236 T N 0.503 115.047 114.554 -0.017 0.000 3.230 236 T HA 0.083 4.433 4.350 0.000 0.000 0.390 236 T C -0.285 174.429 174.700 0.023 0.000 1.761 236 T CA -0.612 61.489 62.100 0.002 0.000 1.129 236 T CB 0.518 69.383 68.868 -0.006 0.000 1.583 236 T HN 0.458 nan 8.240 nan 0.000 0.480 237 L N 2.486 123.721 121.223 0.020 0.000 2.362 237 L HA 0.579 4.919 4.340 0.000 0.000 0.219 237 L C 1.606 178.476 176.870 0.000 0.000 1.134 237 L CA 1.743 56.595 54.840 0.020 0.000 0.807 237 L CB -0.759 41.297 42.059 -0.005 0.000 0.927 237 L HN 0.660 nan 8.230 nan 0.000 0.447 238 A N 0.448 123.261 122.820 -0.011 0.000 3.091 238 A HA 0.348 4.668 4.320 0.000 0.000 0.264 238 A C 1.666 179.250 177.584 0.001 0.000 1.673 238 A CA 0.289 52.314 52.037 -0.020 0.000 1.362 238 A CB -1.360 17.627 19.000 -0.021 0.000 1.137 238 A HN 0.556 nan 8.150 nan 0.000 0.617 239 T N -1.871 112.700 114.554 0.027 0.000 2.848 239 T HA -0.248 4.102 4.350 0.000 0.000 0.269 239 T C 1.736 176.442 174.700 0.009 0.000 1.081 239 T CA 1.695 63.825 62.100 0.051 0.000 1.125 239 T CB -0.399 68.541 68.868 0.120 0.000 0.848 239 T HN 0.765 nan 8.240 nan 0.000 0.503 240 A N 2.311 125.127 122.820 -0.008 0.000 1.933 240 A HA 0.166 4.486 4.320 0.000 0.000 0.218 240 A C 2.206 179.743 177.584 -0.079 0.000 1.175 240 A CA 1.355 53.370 52.037 -0.037 0.000 0.628 240 A CB -0.699 18.298 19.000 -0.005 0.000 0.814 240 A HN 0.939 nan 8.150 nan 0.000 0.444 241 I N -4.120 116.419 120.570 -0.052 0.000 3.736 241 I HA 0.371 4.542 4.170 0.000 0.000 0.338 241 I C 0.640 176.721 176.117 -0.059 0.000 1.558 241 I CA -0.380 60.880 61.300 -0.067 0.000 1.147 241 I CB 0.109 38.088 38.000 -0.034 0.000 1.275 241 I HN 0.067 nan 8.210 nan 0.000 0.454 242 R N 2.678 123.144 120.500 -0.057 0.000 4.138 242 R HA 0.484 4.824 4.340 0.000 0.000 0.206 242 R C -0.936 175.358 176.300 -0.010 0.000 1.667 242 R CA -0.098 55.977 56.100 -0.041 0.000 1.481 242 R CB -0.087 30.182 30.300 -0.051 0.000 1.388 242 R HN 0.502 nan 8.270 nan 0.000 0.776 243 I N 0.835 121.405 120.570 -0.001 0.000 2.436 243 I HA 0.258 4.428 4.170 0.000 0.000 0.289 243 I C 1.010 177.173 176.117 0.077 0.000 1.010 243 I CA -0.682 60.670 61.300 0.088 0.000 1.098 243 I CB 2.278 40.299 38.000 0.036 0.000 1.266 243 I HN 0.451 nan 8.210 nan 0.000 0.434 244 G N 3.559 112.429 108.800 0.116 0.000 2.887 244 G HA2 -0.041 3.919 3.960 0.000 0.000 0.211 244 G HA3 -0.041 3.919 3.960 0.000 0.000 0.211 244 G C 0.428 175.423 174.900 0.158 0.000 1.152 244 G CA 0.204 45.363 45.100 0.099 0.000 0.769 244 G HN 0.513 nan 8.290 nan 0.000 0.541 245 N N 0.664 119.481 118.700 0.195 0.000 2.725 245 N HA 0.271 5.011 4.740 0.000 0.000 0.248 245 N C -2.929 172.748 175.510 0.280 0.000 1.402 245 N CA -1.592 51.624 53.050 0.277 0.000 0.766 245 N CB 1.690 40.300 38.487 0.205 0.000 1.223 245 N HN -0.092 nan 8.380 nan 0.000 0.515 246 P HA 0.017 nan 4.420 nan 0.000 0.258 246 P C 0.645 178.094 177.300 0.249 0.000 1.187 246 P CA 0.066 63.271 63.100 0.175 0.000 0.767 246 P CB 1.000 32.689 31.700 -0.019 0.000 0.770 247 A N 4.236 127.182 122.820 0.209 0.000 1.940 247 A HA -0.132 4.188 4.320 0.000 0.000 0.219 247 A C 1.885 179.570 177.584 0.169 0.000 1.176 247 A CA 1.498 53.640 52.037 0.176 0.000 0.631 247 A CB -0.948 18.142 19.000 0.149 0.000 0.814 247 A HN 0.543 nan 8.150 nan 0.000 0.446 248 S N -0.605 115.181 115.700 0.144 0.000 2.667 248 S HA 0.033 4.503 4.470 0.000 0.000 0.251 248 S C 0.796 175.485 174.600 0.149 0.000 1.075 248 S CA -0.635 57.639 58.200 0.122 0.000 1.130 248 S CB -0.471 62.775 63.200 0.076 0.000 0.795 248 S HN 0.633 nan 8.310 nan 0.000 0.462 249 W N 2.555 123.864 121.300 0.016 0.000 2.301 249 W HA -0.215 4.445 4.660 -0.000 0.000 0.325 249 W C 1.480 177.996 176.519 -0.006 0.000 1.250 249 W CA 1.693 59.040 57.345 0.003 0.000 1.261 249 W CB -0.485 28.978 29.460 0.005 0.000 1.157 249 W HN 0.391 nan 8.180 nan 0.000 0.473 250 Q N -0.488 119.540 119.800 0.380 0.000 2.167 250 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 250 Q C 2.418 178.500 176.000 0.138 0.000 0.970 250 Q CA 1.778 57.725 55.803 0.240 0.000 0.855 250 Q CB -1.376 27.448 28.738 0.144 0.000 0.911 250 Q HN 0.443 nan 8.270 nan 0.000 0.438 251 G N 0.841 109.709 108.800 0.114 0.000 2.418 251 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 251 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 251 G C 1.563 176.487 174.900 0.040 0.000 1.158 251 G CA 1.205 46.355 45.100 0.083 0.000 0.771 251 G HN 0.459 nan 8.290 nan 0.000 0.545 252 A N 0.098 122.916 122.820 -0.003 0.000 1.898 252 A HA 0.108 4.428 4.320 0.000 0.000 0.216 252 A C 2.606 180.122 177.584 -0.114 0.000 1.181 252 A CA 1.754 53.735 52.037 -0.092 0.000 0.620 252 A CB -0.619 18.280 19.000 -0.168 0.000 0.819 252 A HN 0.249 nan 8.150 nan 0.000 0.442 253 V N 0.347 120.231 119.914 -0.051 0.000 2.343 253 V HA -0.288 3.832 4.120 0.000 0.000 0.247 253 V C 2.663 178.723 176.094 -0.056 0.000 1.051 253 V CA 2.274 64.554 62.300 -0.033 0.000 1.036 253 V CB -0.857 31.020 31.823 0.090 0.000 0.654 253 V HN 0.528 nan 8.190 nan 0.000 0.451 254 R N 0.223 120.712 120.500 -0.018 0.000 2.081 254 R HA -0.098 4.242 4.340 0.000 0.000 0.235 254 R C 2.460 178.671 176.300 -0.148 0.000 1.131 254 R CA 1.447 57.536 56.100 -0.017 0.000 0.960 254 R CB -0.665 29.677 30.300 0.071 0.000 0.856 254 R HN 0.531 nan 8.270 nan 0.000 0.436 255 A N 1.863 124.553 122.820 -0.217 0.000 1.902 255 A HA -0.199 4.121 4.320 0.000 0.000 0.217 255 A C 2.145 179.304 177.584 -0.708 0.000 1.181 255 A CA 1.373 53.041 52.037 -0.614 0.000 0.623 255 A CB -0.378 18.445 19.000 -0.294 0.000 0.818 255 A HN 0.143 nan 8.150 nan 0.000 0.443 256 K N -0.013 120.146 120.400 -0.402 0.000 2.001 256 K HA -0.166 4.154 4.320 0.000 0.000 0.208 256 K C 1.877 178.289 176.600 -0.312 0.000 1.048 256 K CA 1.775 57.855 56.287 -0.345 0.000 0.932 256 K CB -0.267 32.088 32.500 -0.242 0.000 0.715 256 K HN 0.647 nan 8.250 nan 0.000 0.437 257 E N 0.537 120.599 120.200 -0.230 0.000 2.031 257 E HA -0.184 4.166 4.350 0.000 0.000 0.193 257 E C 2.076 178.574 176.600 -0.170 0.000 0.994 257 E CA 1.447 57.754 56.400 -0.155 0.000 0.800 257 E CB -0.024 29.627 29.700 -0.081 0.000 0.752 257 E HN 0.428 nan 8.360 nan 0.000 0.447 258 E N 0.494 120.572 120.200 -0.203 0.000 2.106 258 E HA -0.139 4.211 4.350 0.000 0.000 0.192 258 E C 2.172 178.645 176.600 -0.212 0.000 0.984 258 E CA 1.372 57.721 56.400 -0.085 0.000 0.806 258 E CB -0.030 29.786 29.700 0.193 0.000 0.750 258 E HN 0.174 nan 8.360 nan 0.000 0.458 259 S N -0.559 114.696 115.700 -0.742 0.000 2.527 259 S HA 0.110 4.580 4.470 0.000 0.000 0.222 259 S C 1.569 175.977 174.600 -0.320 0.000 0.985 259 S CA 0.386 58.141 58.200 -0.741 0.000 0.921 259 S CB 0.346 62.787 63.200 -1.265 0.000 0.772 259 S HN 0.342 nan 8.310 nan 0.000 0.529 260 G N 0.478 109.124 108.800 -0.256 0.000 2.198 260 G HA2 -0.045 3.915 3.960 0.000 0.000 0.257 260 G HA3 -0.045 3.915 3.960 0.000 0.000 0.257 260 G C 0.401 175.219 174.900 -0.137 0.000 1.042 260 G CA 0.100 45.112 45.100 -0.147 0.000 0.791 260 G HN 1.036 nan 8.290 nan 0.000 0.502 261 G N -1.729 106.952 108.800 -0.198 0.000 2.782 261 G HA2 0.986 4.946 3.960 0.000 0.000 0.201 261 G HA3 0.986 4.946 3.960 0.000 0.000 0.201 261 G C 0.167 174.974 174.900 -0.155 0.000 1.374 261 G CA 0.559 45.567 45.100 -0.154 0.000 1.039 261 G HN 1.741 nan 8.290 nan 0.000 0.576 262 V N -3.275 116.523 119.914 -0.194 0.000 3.202 262 V HA 0.778 4.898 4.120 0.000 0.000 0.306 262 V C -1.244 174.650 176.094 -0.333 0.000 1.283 262 V CA -1.129 61.042 62.300 -0.214 0.000 1.065 262 V CB 1.899 33.627 31.823 -0.158 0.000 1.079 262 V HN 0.641 nan 8.190 nan 0.000 0.448 263 I N 1.370 121.757 120.570 -0.304 0.000 2.540 263 I HA 0.554 4.724 4.170 0.000 0.000 0.280 263 I C -0.406 175.554 176.117 -0.260 0.000 1.083 263 I CA -0.075 61.010 61.300 -0.358 0.000 1.080 263 I CB 1.642 39.469 38.000 -0.289 0.000 1.205 263 I HN 0.824 nan 8.210 nan 0.000 0.459 264 E N 3.542 123.575 120.200 -0.279 0.000 2.370 264 E HA 0.839 5.189 4.350 0.000 0.000 0.259 264 E C -0.695 175.963 176.600 0.095 0.000 0.947 264 E CA -1.055 55.325 56.400 -0.034 0.000 0.809 264 E CB 2.420 32.175 29.700 0.090 0.000 1.300 264 E HN 0.553 nan 8.360 nan 0.000 0.419 265 A N 0.621 123.506 122.820 0.108 0.000 2.325 265 A HA 0.670 4.990 4.320 0.000 0.000 0.333 265 A C -0.641 177.010 177.584 0.111 0.000 1.155 265 A CA -0.622 51.474 52.037 0.099 0.000 0.814 265 A CB 0.885 19.907 19.000 0.037 0.000 1.206 265 A HN 0.350 nan 8.150 nan 0.000 0.482 266 V N -0.351 119.613 119.914 0.082 0.000 2.709 266 V HA 0.803 4.923 4.120 0.000 0.000 0.308 266 V C 0.153 176.260 176.094 0.022 0.000 1.062 266 V CA -0.116 62.203 62.300 0.033 0.000 0.901 266 V CB 0.843 32.666 31.823 -0.000 0.000 1.003 266 V HN 1.264 nan 8.190 nan 0.000 0.425 267 T N -0.595 113.963 114.554 0.007 0.000 2.813 267 T HA 0.204 4.554 4.350 0.000 0.000 0.297 267 T C 0.619 175.328 174.700 0.014 0.000 1.036 267 T CA 0.466 62.569 62.100 0.006 0.000 1.044 267 T CB 0.796 69.661 68.868 -0.004 0.000 0.993 267 T HN 0.722 nan 8.240 nan 0.000 0.535 268 D N 0.535 120.942 120.400 0.013 0.000 2.144 268 D HA -0.034 4.606 4.640 0.000 0.000 0.199 268 D C 2.047 178.364 176.300 0.028 0.000 0.984 268 D CA 1.168 55.177 54.000 0.015 0.000 0.834 268 D CB -0.174 40.632 40.800 0.010 0.000 0.955 268 D HN 0.717 nan 8.370 nan 0.000 0.465 269 E N 0.650 120.866 120.200 0.027 0.000 2.110 269 E HA -0.123 4.227 4.350 0.000 0.000 0.193 269 E C 1.917 178.558 176.600 0.070 0.000 0.988 269 E CA 0.823 57.249 56.400 0.043 0.000 0.804 269 E CB -0.156 29.555 29.700 0.018 0.000 0.745 269 E HN 0.437 nan 8.360 nan 0.000 0.458 270 E N 0.051 120.273 120.200 0.037 0.000 2.152 270 E HA -0.092 4.258 4.350 0.000 0.000 0.192 270 E C 2.029 178.710 176.600 0.135 0.000 0.983 270 E CA 0.564 56.991 56.400 0.045 0.000 0.818 270 E CB -0.073 29.617 29.700 -0.017 0.000 0.758 270 E HN 0.284 nan 8.360 nan 0.000 0.467 271 I N 0.982 121.612 120.570 0.100 0.000 2.202 271 I HA -0.263 3.907 4.170 0.000 0.000 0.242 271 I C 2.284 178.504 176.117 0.170 0.000 1.091 271 I CA 0.973 62.341 61.300 0.112 0.000 1.368 271 I CB -0.125 37.903 38.000 0.046 0.000 1.058 271 I HN 0.115 nan 8.210 nan 0.000 0.410 272 L N -0.408 120.902 121.223 0.144 0.000 2.131 272 L HA -0.235 4.105 4.340 0.000 0.000 0.210 272 L C 2.540 179.583 176.870 0.287 0.000 1.092 272 L CA 1.303 56.262 54.840 0.197 0.000 0.759 272 L CB -0.559 41.580 42.059 0.134 0.000 0.903 272 L HN 0.225 nan 8.230 nan 0.000 0.435 273 F N 0.796 120.812 119.950 0.111 0.000 2.146 273 F HA -0.191 4.336 4.527 0.000 0.000 0.298 273 F C 2.416 178.311 175.800 0.159 0.000 1.096 273 F CA 1.321 59.364 58.000 0.073 0.000 1.275 273 F CB -0.147 38.821 39.000 -0.054 0.000 1.008 273 F HN -0.020 nan 8.300 nan 0.000 0.480 274 A N -0.720 122.339 122.820 0.398 0.000 1.929 274 A HA -0.193 4.127 4.320 0.000 0.000 0.216 274 A C 2.056 179.842 177.584 0.337 0.000 1.176 274 A CA 1.383 53.694 52.037 0.457 0.000 0.628 274 A CB -1.585 17.677 19.000 0.436 0.000 0.816 274 A HN 0.630 nan 8.150 nan 0.000 0.444 275 Y N 0.409 120.797 120.300 0.147 0.000 2.097 275 Y HA -0.223 4.327 4.550 0.000 0.000 0.282 275 Y C 2.535 178.483 175.900 0.079 0.000 1.152 275 Y CA 2.293 60.463 58.100 0.118 0.000 1.136 275 Y CB -0.339 38.188 38.460 0.113 0.000 0.975 275 Y HN 0.223 nan 8.280 nan 0.000 0.498 276 R N -0.838 119.686 120.500 0.039 0.000 2.066 276 R HA -0.231 4.109 4.340 0.000 0.000 0.232 276 R C 2.329 178.520 176.300 -0.182 0.000 1.131 276 R CA 1.833 57.844 56.100 -0.148 0.000 0.955 276 R CB -1.111 29.121 30.300 -0.114 0.000 0.851 276 R HN 0.561 nan 8.270 nan 0.000 0.432 277 Y N 1.536 121.674 120.300 -0.271 0.000 2.081 277 Y HA -0.262 4.289 4.550 0.000 0.000 0.280 277 Y C 2.111 177.949 175.900 -0.103 0.000 1.163 277 Y CA 1.900 59.878 58.100 -0.203 0.000 1.135 277 Y CB -0.588 37.832 38.460 -0.067 0.000 0.970 277 Y HN 0.020 nan 8.280 nan 0.000 0.498 278 L N -0.251 120.915 121.223 -0.096 0.000 2.042 278 L HA -0.273 4.067 4.340 0.000 0.000 0.210 278 L C 2.783 179.488 176.870 -0.275 0.000 1.076 278 L CA 1.393 56.116 54.840 -0.195 0.000 0.749 278 L CB -0.983 41.069 42.059 -0.012 0.000 0.893 278 L HN 0.412 nan 8.230 nan 0.000 0.432 279 A N -0.406 122.266 122.820 -0.247 0.000 1.897 279 A HA -0.133 4.187 4.320 0.000 0.000 0.215 279 A C 2.394 179.812 177.584 -0.277 0.000 1.181 279 A CA 1.135 53.017 52.037 -0.258 0.000 0.620 279 A CB -0.336 18.466 19.000 -0.330 0.000 0.821 279 A HN 0.276 nan 8.150 nan 0.000 0.443 280 R N -0.870 119.456 120.500 -0.290 0.000 2.127 280 R HA -0.007 4.333 4.340 0.000 0.000 0.217 280 R C 1.613 177.750 176.300 -0.272 0.000 1.074 280 R CA 1.159 57.108 56.100 -0.252 0.000 0.991 280 R CB 0.027 30.199 30.300 -0.213 0.000 0.895 280 R HN 0.455 nan 8.270 nan 0.000 0.450 281 E N -0.112 119.839 120.200 -0.415 0.000 2.201 281 E HA -0.018 4.332 4.350 0.000 0.000 0.193 281 E C 1.427 177.790 176.600 -0.395 0.000 0.957 281 E CA 0.686 56.822 56.400 -0.438 0.000 0.858 281 E CB 0.361 29.647 29.700 -0.690 0.000 0.816 281 E HN 0.213 nan 8.360 nan 0.000 0.475 282 E N -0.246 119.683 120.200 -0.451 0.000 2.431 282 E HA 0.139 4.489 4.350 0.000 0.000 0.200 282 E C 0.915 177.386 176.600 -0.216 0.000 0.995 282 E CA 0.609 56.830 56.400 -0.298 0.000 0.915 282 E CB 0.937 30.462 29.700 -0.292 0.000 0.930 282 E HN 0.293 nan 8.360 nan 0.000 0.496 283 G N 2.040 110.709 108.800 -0.218 0.000 2.136 283 G HA2 -0.268 3.692 3.960 0.000 0.000 0.242 283 G HA3 -0.268 3.692 3.960 0.000 0.000 0.242 283 G C 0.230 175.037 174.900 -0.155 0.000 0.989 283 G CA 0.281 45.283 45.100 -0.162 0.000 0.682 283 G HN 0.229 nan 8.290 nan 0.000 0.522 284 I N 0.421 120.869 120.570 -0.203 0.000 2.362 284 I HA 0.480 4.650 4.170 0.000 0.000 0.289 284 I C -0.396 175.648 176.117 -0.121 0.000 0.994 284 I CA -1.094 60.044 61.300 -0.271 0.000 1.158 284 I CB 1.271 39.025 38.000 -0.410 0.000 1.315 284 I HN 0.015 nan 8.210 nan 0.000 0.451 285 F N 8.486 128.282 119.950 -0.256 0.000 2.361 285 F HA 0.519 5.046 4.527 -0.000 0.000 0.364 285 F C 0.101 175.811 175.800 -0.150 0.000 1.120 285 F CA -1.530 56.347 58.000 -0.204 0.000 1.102 285 F CB 0.497 39.408 39.000 -0.148 0.000 1.183 285 F HN 0.575 nan 8.300 nan 0.000 0.476 286 C N 4.379 123.620 119.300 -0.098 0.000 2.779 286 C HA 0.801 5.261 4.460 0.000 0.000 0.314 286 C C -0.193 174.785 174.990 -0.020 0.000 1.231 286 C CA -0.957 58.017 59.018 -0.074 0.000 1.652 286 C CB 1.081 28.887 27.740 0.110 0.000 2.198 286 C HN 0.887 nan 8.230 nan 0.000 0.483 287 E N 2.001 122.192 120.200 -0.014 0.000 2.392 287 E HA 0.265 4.615 4.350 0.000 0.000 0.259 287 E C -2.001 174.658 176.600 0.097 0.000 1.108 287 E CA -0.859 55.572 56.400 0.050 0.000 0.916 287 E CB 0.259 29.959 29.700 0.000 0.000 0.989 287 E HN 0.426 nan 8.360 nan 0.000 0.432 288 P HA -0.324 nan 4.420 nan 0.000 0.217 288 P C 1.241 178.533 177.300 -0.014 0.000 1.162 288 P CA 2.678 65.675 63.100 -0.172 0.000 0.901 288 P CB -0.084 31.434 31.700 -0.303 0.000 0.793 289 A N -0.931 121.890 122.820 0.002 0.000 1.908 289 A HA -0.227 4.093 4.320 0.000 0.000 0.218 289 A C 2.328 179.952 177.584 0.067 0.000 1.181 289 A CA 2.428 54.484 52.037 0.031 0.000 0.627 289 A CB -1.583 17.436 19.000 0.032 0.000 0.818 289 A HN 0.172 nan 8.150 nan 0.000 0.445 290 S N -0.005 115.749 115.700 0.090 0.000 2.368 290 S HA -0.052 4.418 4.470 0.000 0.000 0.225 290 S C 2.230 176.901 174.600 0.118 0.000 1.030 290 S CA 1.155 59.423 58.200 0.114 0.000 0.999 290 S CB -0.510 62.772 63.200 0.136 0.000 0.844 290 S HN 0.840 nan 8.310 nan 0.000 0.459 291 A N 1.396 124.304 122.820 0.147 0.000 2.125 291 A HA 0.199 4.519 4.320 0.000 0.000 0.219 291 A C 2.242 179.895 177.584 0.115 0.000 1.156 291 A CA 1.350 53.487 52.037 0.168 0.000 0.671 291 A CB -0.848 18.319 19.000 0.278 0.000 0.794 291 A HN 0.502 nan 8.150 nan 0.000 0.459 292 A N -0.034 122.838 122.820 0.087 0.000 2.024 292 A HA 0.106 4.426 4.320 0.000 0.000 0.220 292 A C 2.411 180.001 177.584 0.010 0.000 1.164 292 A CA 1.929 54.000 52.037 0.056 0.000 0.643 292 A CB -0.783 18.264 19.000 0.078 0.000 0.806 292 A HN 1.008 nan 8.150 nan 0.000 0.451 293 A N -1.071 121.784 122.820 0.058 0.000 1.898 293 A HA -0.080 4.240 4.320 0.000 0.000 0.216 293 A C 2.139 179.669 177.584 -0.091 0.000 1.181 293 A CA 2.141 54.219 52.037 0.067 0.000 0.620 293 A CB -0.431 18.634 19.000 0.107 0.000 0.819 293 A HN 0.541 nan 8.150 nan 0.000 0.442 294 M N 0.137 119.702 119.600 -0.059 0.000 2.200 294 M HA 0.103 4.583 4.480 0.000 0.000 0.265 294 M C 2.085 178.285 176.300 -0.167 0.000 1.066 294 M CA 1.404 56.618 55.300 -0.143 0.000 1.127 294 M CB -0.669 31.914 32.600 -0.029 0.000 1.379 294 M HN 0.359 nan 8.290 nan 0.000 0.420 295 A N -0.468 122.328 122.820 -0.040 0.000 1.933 295 A HA 0.024 4.344 4.320 0.000 0.000 0.218 295 A C 2.332 179.737 177.584 -0.299 0.000 1.175 295 A CA 1.740 53.786 52.037 0.015 0.000 0.628 295 A CB -1.757 17.250 19.000 0.013 0.000 0.814 295 A HN 0.591 nan 8.150 nan 0.000 0.444 296 G N -0.622 107.690 108.800 -0.814 0.000 2.418 296 G HA2 -0.092 3.868 3.960 0.000 0.000 0.217 296 G HA3 -0.092 3.868 3.960 0.000 0.000 0.217 296 G C 1.500 175.872 174.900 -0.879 0.000 1.158 296 G CA 1.209 45.202 45.100 -1.846 0.000 0.771 296 G HN 0.316 nan 8.290 nan 0.000 0.545 297 V N 0.276 119.865 119.914 -0.542 0.000 2.295 297 V HA -0.121 3.999 4.120 0.000 0.000 0.246 297 V C 2.456 178.388 176.094 -0.270 0.000 1.049 297 V CA 1.597 63.696 62.300 -0.335 0.000 1.024 297 V CB -0.701 30.909 31.823 -0.356 0.000 0.648 297 V HN 0.392 nan 8.190 nan 0.000 0.447 298 F N 0.381 120.191 119.950 -0.234 0.000 2.120 298 F HA -0.252 4.275 4.527 0.000 0.000 0.300 298 F C 2.567 178.252 175.800 -0.192 0.000 1.095 298 F CA 2.114 59.994 58.000 -0.199 0.000 1.249 298 F CB -0.201 38.695 39.000 -0.173 0.000 0.995 298 F HN 0.049 nan 8.300 nan 0.000 0.480 299 K N 0.463 120.850 120.400 -0.022 0.000 1.991 299 K HA -0.227 4.093 4.320 0.000 0.000 0.212 299 K C 1.930 178.503 176.600 -0.045 0.000 1.049 299 K CA 1.595 57.846 56.287 -0.060 0.000 0.932 299 K CB -0.369 32.069 32.500 -0.103 0.000 0.717 299 K HN 0.125 nan 8.250 nan 0.000 0.441 300 L N 1.294 122.481 121.223 -0.060 0.000 2.191 300 L HA -0.120 4.220 4.340 0.000 0.000 0.212 300 L C 2.162 178.987 176.870 -0.075 0.000 1.103 300 L CA 1.201 56.010 54.840 -0.052 0.000 0.769 300 L CB -0.379 41.645 42.059 -0.058 0.000 0.908 300 L HN 0.230 nan 8.230 nan 0.000 0.438 301 L N -1.366 119.809 121.223 -0.080 0.000 2.027 301 L HA -0.209 4.131 4.340 0.000 0.000 0.206 301 L C 2.735 179.583 176.870 -0.037 0.000 1.074 301 L CA 0.987 55.787 54.840 -0.066 0.000 0.745 301 L CB -0.354 41.673 42.059 -0.053 0.000 0.898 301 L HN 0.168 nan 8.230 nan 0.000 0.433 302 R N 0.676 121.162 120.500 -0.024 0.000 2.105 302 R HA -0.190 4.150 4.340 0.000 0.000 0.239 302 R C 1.871 178.150 176.300 -0.035 0.000 1.135 302 R CA 1.556 57.636 56.100 -0.034 0.000 0.967 302 R CB -0.118 30.151 30.300 -0.052 0.000 0.861 302 R HN 0.371 nan 8.270 nan 0.000 0.442 303 E N -1.275 118.906 120.200 -0.033 0.000 2.489 303 E HA 0.115 4.465 4.350 0.000 0.000 0.193 303 E C 0.460 177.045 176.600 -0.025 0.000 1.057 303 E CA 0.386 56.771 56.400 -0.026 0.000 0.866 303 E CB 0.415 30.104 29.700 -0.019 0.000 0.916 303 E HN 0.569 nan 8.360 nan 0.000 0.500 304 G N 2.178 110.958 108.800 -0.033 0.000 2.273 304 G HA2 -0.348 3.612 3.960 0.000 0.000 0.280 304 G HA3 -0.348 3.612 3.960 0.000 0.000 0.280 304 G C 0.616 175.498 174.900 -0.030 0.000 1.047 304 G CA 0.276 45.357 45.100 -0.032 0.000 0.869 304 G HN 0.254 nan 8.290 nan 0.000 0.502 305 R N -1.063 119.411 120.500 -0.043 0.000 2.359 305 R HA 0.306 4.646 4.340 0.000 0.000 0.231 305 R C 0.610 176.870 176.300 -0.066 0.000 0.913 305 R CA 0.039 56.121 56.100 -0.031 0.000 1.075 305 R CB 0.238 30.528 30.300 -0.017 0.000 1.087 305 R HN 0.419 nan 8.270 nan 0.000 0.515 306 L N 1.831 122.977 121.223 -0.127 0.000 2.305 306 L HA 0.279 4.619 4.340 0.000 0.000 0.284 306 L C 0.137 176.990 176.870 -0.028 0.000 1.013 306 L CA -0.842 53.859 54.840 -0.233 0.000 0.819 306 L CB 1.736 43.553 42.059 -0.402 0.000 1.227 306 L HN -0.065 nan 8.230 nan 0.000 0.417 307 E N 3.542 123.824 120.200 0.137 0.000 2.413 307 E HA 0.127 4.477 4.350 0.000 0.000 0.263 307 E C -2.227 174.383 176.600 0.017 0.000 1.015 307 E CA -1.525 54.923 56.400 0.080 0.000 0.916 307 E CB 0.346 30.098 29.700 0.087 0.000 0.947 307 E HN 0.269 nan 8.360 nan 0.000 0.440 308 P HA -0.026 nan 4.420 nan 0.000 0.270 308 P C -0.149 177.127 177.300 -0.039 0.000 1.223 308 P CA 0.272 63.360 63.100 -0.020 0.000 0.785 308 P CB 0.478 32.171 31.700 -0.012 0.000 0.923 309 E N -2.099 118.082 120.200 -0.032 0.000 3.170 309 E HA -0.169 4.181 4.350 0.000 0.000 0.284 309 E C 0.102 176.652 176.600 -0.085 0.000 0.967 309 E CA 1.149 57.530 56.400 -0.031 0.000 0.919 309 E CB -2.322 27.366 29.700 -0.019 0.000 1.469 309 E HN 0.638 nan 8.360 nan 0.000 0.444 310 S N -1.083 114.541 115.700 -0.127 0.000 2.707 310 S HA 0.648 5.118 4.470 0.000 0.000 0.276 310 S C 0.340 174.983 174.600 0.071 0.000 1.179 310 S CA -0.453 57.570 58.200 -0.295 0.000 0.992 310 S CB 2.336 65.408 63.200 -0.213 0.000 1.030 310 S HN 0.001 nan 8.310 nan 0.000 0.554 311 T N 1.113 115.884 114.554 0.361 0.000 2.797 311 T HA 0.605 4.955 4.350 0.000 0.000 0.279 311 T C -1.010 173.923 174.700 0.389 0.000 0.991 311 T CA -0.508 61.831 62.100 0.398 0.000 0.979 311 T CB 1.195 70.305 68.868 0.403 0.000 0.943 311 T HN 0.540 nan 8.240 nan 0.000 0.444 312 V N 3.975 124.064 119.914 0.291 0.000 2.487 312 V HA 0.525 4.645 4.120 0.000 0.000 0.298 312 V C -0.372 175.818 176.094 0.160 0.000 1.028 312 V CA -0.742 61.691 62.300 0.222 0.000 0.860 312 V CB 1.961 33.844 31.823 0.100 0.000 0.991 312 V HN 0.674 nan 8.190 nan 0.000 0.427 313 V N 6.334 126.269 119.914 0.035 0.000 2.459 313 V HA 0.553 4.673 4.120 0.000 0.000 0.295 313 V C -0.595 175.368 176.094 -0.218 0.000 1.029 313 V CA -0.552 61.678 62.300 -0.117 0.000 0.874 313 V CB 1.739 33.355 31.823 -0.345 0.000 0.985 313 V HN 0.635 nan 8.190 nan 0.000 0.438 314 L N 3.639 124.830 121.223 -0.053 0.000 2.341 314 L HA 0.526 4.866 4.340 0.000 0.000 0.278 314 L C 0.415 177.367 176.870 0.136 0.000 1.005 314 L CA -0.027 54.843 54.840 0.050 0.000 0.818 314 L CB 1.953 44.041 42.059 0.048 0.000 1.259 314 L HN 0.530 nan 8.230 nan 0.000 0.418 315 T N 4.550 119.256 114.554 0.253 0.000 2.794 315 T HA 0.396 4.746 4.350 0.000 0.000 0.304 315 T C 0.247 175.048 174.700 0.169 0.000 0.973 315 T CA -0.248 62.015 62.100 0.272 0.000 0.972 315 T CB -0.158 68.900 68.868 0.316 0.000 0.952 315 T HN 0.278 nan 8.240 nan 0.000 0.509 316 L N 4.694 126.034 121.223 0.194 0.000 2.334 316 L HA 0.159 4.499 4.340 0.000 0.000 0.286 316 L C 2.232 179.242 176.870 0.233 0.000 1.108 316 L CA -0.513 54.448 54.840 0.201 0.000 0.875 316 L CB 0.146 42.343 42.059 0.228 0.000 1.246 316 L HN 0.788 nan 8.230 nan 0.000 0.439 317 T N -0.551 114.120 114.554 0.196 0.000 2.699 317 T HA -0.083 4.267 4.350 0.000 0.000 0.268 317 T C 0.894 175.790 174.700 0.325 0.000 1.036 317 T CA 0.970 63.255 62.100 0.308 0.000 1.147 317 T CB -0.062 68.990 68.868 0.308 0.000 0.862 317 T HN 0.601 nan 8.240 nan 0.000 0.446 318 G N -0.402 108.520 108.800 0.203 0.000 2.659 318 G HA2 0.499 4.459 3.960 0.000 0.000 0.296 318 G HA3 0.499 4.459 3.960 0.000 0.000 0.296 318 G C -1.478 173.472 174.900 0.084 0.000 1.369 318 G CA -0.749 44.428 45.100 0.128 0.000 0.937 318 G HN 0.363 nan 8.290 nan 0.000 0.485 319 H N 0.305 119.346 119.070 -0.048 0.000 2.707 319 H HA 0.171 4.727 4.556 0.000 0.000 0.359 319 H C 1.702 176.883 175.328 -0.246 0.000 1.113 319 H CA 1.000 56.988 56.048 -0.101 0.000 1.422 319 H CB 1.619 31.306 29.762 -0.125 0.000 1.443 319 H HN 0.556 nan 8.280 nan 0.000 0.591 320 G N 3.928 112.302 108.800 -0.709 0.000 2.470 320 G HA2 -0.157 3.803 3.960 0.000 0.000 0.220 320 G HA3 -0.157 3.803 3.960 0.000 0.000 0.220 320 G C 1.744 176.243 174.900 -0.669 0.000 1.121 320 G CA 0.139 44.358 45.100 -1.467 0.000 0.766 320 G HN 0.628 nan 8.290 nan 0.000 0.553 321 L N -0.085 121.190 121.223 0.087 0.000 2.549 321 L HA 0.030 4.370 4.340 0.000 0.000 0.229 321 L C 2.565 179.483 176.870 0.080 0.000 1.158 321 L CA 0.336 55.290 54.840 0.191 0.000 0.842 321 L CB -0.107 42.023 42.059 0.117 0.000 0.952 321 L HN 0.071 nan 8.230 nan 0.000 0.452 322 K N -0.115 120.305 120.400 0.035 0.000 2.155 322 K HA -0.089 4.231 4.320 0.000 0.000 0.203 322 K C 0.399 177.020 176.600 0.035 0.000 1.052 322 K CA 0.916 57.219 56.287 0.027 0.000 0.948 322 K CB -0.076 32.435 32.500 0.017 0.000 0.728 322 K HN 0.148 nan 8.250 nan 0.000 0.448 323 D N 0.141 120.566 120.400 0.043 0.000 2.513 323 D HA 0.117 4.757 4.640 0.000 0.000 0.295 323 D C -1.811 174.576 176.300 0.145 0.000 1.202 323 D CA -1.860 52.181 54.000 0.068 0.000 0.849 323 D CB 0.978 41.798 40.800 0.033 0.000 1.116 323 D HN -0.135 nan 8.370 nan 0.000 0.502 324 P HA -0.153 nan 4.420 nan 0.000 0.218 324 P C 1.337 178.746 177.300 0.181 0.000 1.148 324 P CA 0.765 63.998 63.100 0.222 0.000 0.822 324 P CB 0.311 32.110 31.700 0.166 0.000 0.784 325 A N 0.332 123.224 122.820 0.119 0.000 1.917 325 A HA -0.176 4.144 4.320 0.000 0.000 0.219 325 A C 2.333 179.979 177.584 0.102 0.000 1.182 325 A CA 2.533 54.624 52.037 0.089 0.000 0.633 325 A CB -1.978 17.054 19.000 0.054 0.000 0.819 325 A HN 0.230 nan 8.150 nan 0.000 0.448 326 T N 0.306 114.926 114.554 0.110 0.000 2.929 326 T HA 0.028 4.378 4.350 0.000 0.000 0.271 326 T C 2.053 176.884 174.700 0.218 0.000 1.085 326 T CA 1.149 63.304 62.100 0.091 0.000 1.125 326 T CB -0.388 68.443 68.868 -0.061 0.000 0.874 326 T HN 0.629 nan 8.240 nan 0.000 0.494 327 A N 2.407 125.412 122.820 0.307 0.000 1.978 327 A HA -0.197 4.123 4.320 0.000 0.000 0.220 327 A C 2.167 179.849 177.584 0.163 0.000 1.170 327 A CA 1.717 53.929 52.037 0.293 0.000 0.636 327 A CB -0.491 18.636 19.000 0.211 0.000 0.810 327 A HN 0.783 nan 8.150 nan 0.000 0.448 328 E N -0.599 119.673 120.200 0.119 0.000 2.418 328 E HA -0.094 4.256 4.350 0.000 0.000 0.197 328 E C 1.781 178.426 176.600 0.075 0.000 1.026 328 E CA 0.503 56.948 56.400 0.076 0.000 0.862 328 E CB -0.224 29.511 29.700 0.057 0.000 0.799 328 E HN 0.585 nan 8.360 nan 0.000 0.518 329 R N 0.901 121.461 120.500 0.100 0.000 2.240 329 R HA -0.004 4.336 4.340 0.000 0.000 0.203 329 R C 1.762 178.123 176.300 0.102 0.000 1.011 329 R CA 1.068 57.219 56.100 0.086 0.000 1.007 329 R CB 0.421 30.765 30.300 0.074 0.000 0.911 329 R HN 0.262 nan 8.270 nan 0.000 0.468 330 V N -4.675 115.316 119.914 0.129 0.000 3.346 330 V HA 0.595 4.715 4.120 0.000 0.000 0.309 330 V C -0.068 176.055 176.094 0.048 0.000 1.457 330 V CA -0.073 62.292 62.300 0.108 0.000 1.069 330 V CB 0.678 32.606 31.823 0.175 0.000 0.944 330 V HN 0.060 nan 8.190 nan 0.000 0.449 331 A N 0.248 123.091 122.820 0.038 0.000 2.601 331 A HA 0.828 5.148 4.320 0.000 0.000 0.291 331 A C -1.435 176.155 177.584 0.011 0.000 1.075 331 A CA -0.449 51.592 52.037 0.006 0.000 0.671 331 A CB 1.961 20.947 19.000 -0.023 0.000 1.277 331 A HN 0.345 nan 8.150 nan 0.000 0.417 332 E N -0.016 120.184 120.200 -0.000 0.000 2.199 332 E HA 0.600 4.950 4.350 0.000 0.000 0.269 332 E C -1.644 174.953 176.600 -0.004 0.000 0.899 332 E CA -0.483 55.918 56.400 0.002 0.000 0.772 332 E CB 1.587 31.289 29.700 0.002 0.000 1.155 332 E HN 0.690 nan 8.360 nan 0.000 0.408 333 L N 6.710 127.933 121.223 -0.000 0.000 2.259 333 L HA 0.498 4.838 4.340 0.000 0.000 0.288 333 L C -2.188 174.680 176.870 -0.003 0.000 1.051 333 L CA -1.705 53.133 54.840 -0.004 0.000 0.824 333 L CB 0.597 42.656 42.059 0.001 0.000 1.206 333 L HN 0.521 nan 8.230 nan 0.000 0.429 334 P HA 0.228 nan 4.420 nan 0.000 0.268 334 P C -2.620 174.677 177.300 -0.004 0.000 1.205 334 P CA -0.873 62.224 63.100 -0.005 0.000 0.771 334 P CB -0.145 31.550 31.700 -0.008 0.000 0.858 335 P HA 0.250 nan 4.420 nan 0.000 0.272 335 P C -2.419 174.879 177.300 -0.003 0.000 1.223 335 P CA -1.179 61.920 63.100 -0.002 0.000 0.784 335 P CB -0.883 30.816 31.700 -0.001 0.000 0.923 336 P HA 0.034 nan 4.420 nan 0.000 0.265 336 P C -0.270 177.029 177.300 -0.003 0.000 1.193 336 P CA 0.077 63.175 63.100 -0.003 0.000 0.765 336 P CB 0.215 31.914 31.700 -0.002 0.000 0.823 337 V N 1.600 121.511 119.914 -0.004 0.000 2.881 337 V HA 0.703 4.823 4.120 0.000 0.000 0.316 337 V C -2.355 173.737 176.094 -0.003 0.000 1.070 337 V CA -2.516 59.782 62.300 -0.003 0.000 0.976 337 V CB 0.542 32.362 31.823 -0.004 0.000 1.038 337 V HN 0.341 nan 8.190 nan 0.000 0.446 338 P HA 0.302 nan 4.420 nan 0.000 0.269 338 P C -0.126 177.172 177.300 -0.003 0.000 1.211 338 P CA 0.144 63.242 63.100 -0.003 0.000 0.781 338 P CB 0.392 32.090 31.700 -0.003 0.000 0.877 339 A N 2.733 125.552 122.820 -0.003 0.000 3.135 339 A HA 0.170 4.490 4.320 0.000 0.000 0.253 339 A C 0.136 177.718 177.584 -0.003 0.000 1.638 339 A CA -0.053 51.982 52.037 -0.003 0.000 1.295 339 A CB -0.817 18.181 19.000 -0.003 0.000 1.106 339 A HN 0.235 nan 8.150 nan 0.000 0.648 340 R N -0.188 120.310 120.500 -0.003 0.000 2.740 340 R HA 0.331 4.671 4.340 0.000 0.000 0.282 340 R C 0.691 176.989 176.300 -0.004 0.000 0.969 340 R CA -1.045 55.053 56.100 -0.003 0.000 0.918 340 R CB 1.007 31.305 30.300 -0.003 0.000 1.175 340 R HN 0.360 nan 8.270 nan 0.000 0.464 341 L N 1.919 123.140 121.223 -0.004 0.000 2.079 341 L HA -0.152 4.188 4.340 0.000 0.000 0.210 341 L C 1.974 178.842 176.870 -0.004 0.000 1.081 341 L CA 2.005 56.842 54.840 -0.004 0.000 0.752 341 L CB -0.249 41.808 42.059 -0.004 0.000 0.896 341 L HN 0.625 nan 8.230 nan 0.000 0.433 342 E N 0.257 120.455 120.200 -0.004 0.000 2.023 342 E HA -0.230 4.120 4.350 0.000 0.000 0.196 342 E C 2.136 178.733 176.600 -0.004 0.000 1.003 342 E CA 1.648 58.046 56.400 -0.004 0.000 0.809 342 E CB -0.482 29.216 29.700 -0.003 0.000 0.755 342 E HN 0.552 nan 8.360 nan 0.000 0.449 343 A N 0.698 123.516 122.820 -0.004 0.000 1.948 343 A HA -0.171 4.149 4.320 0.000 0.000 0.220 343 A C 2.670 180.251 177.584 -0.005 0.000 1.177 343 A CA 1.956 53.990 52.037 -0.004 0.000 0.636 343 A CB -0.781 18.217 19.000 -0.004 0.000 0.815 343 A HN 0.211 nan 8.150 nan 0.000 0.449 344 V N -0.392 119.518 119.914 -0.006 0.000 2.307 344 V HA -0.209 3.911 4.120 0.000 0.000 0.245 344 V C 3.071 179.161 176.094 -0.007 0.000 1.045 344 V CA 1.876 64.172 62.300 -0.007 0.000 1.024 344 V CB -1.259 30.560 31.823 -0.006 0.000 0.651 344 V HN 0.628 nan 8.190 nan 0.000 0.449 345 A N 0.058 122.874 122.820 -0.007 0.000 1.908 345 A HA -0.185 4.135 4.320 0.000 0.000 0.218 345 A C 2.403 179.983 177.584 -0.007 0.000 1.181 345 A CA 2.376 54.409 52.037 -0.007 0.000 0.627 345 A CB -0.822 18.174 19.000 -0.006 0.000 0.818 345 A HN 0.585 nan 8.150 nan 0.000 0.445 346 A N -0.352 122.465 122.820 -0.006 0.000 1.898 346 A HA 0.220 4.540 4.320 0.000 0.000 0.216 346 A C 2.485 180.065 177.584 -0.007 0.000 1.181 346 A CA 1.932 53.966 52.037 -0.006 0.000 0.620 346 A CB -0.981 18.016 19.000 -0.005 0.000 0.819 346 A HN 1.102 nan 8.150 nan 0.000 0.442 347 A N -0.363 122.453 122.820 -0.007 0.000 2.019 347 A HA 0.243 4.563 4.320 0.000 0.000 0.219 347 A C 2.238 179.816 177.584 -0.010 0.000 1.164 347 A CA 1.701 53.733 52.037 -0.008 0.000 0.644 347 A CB -0.671 18.324 19.000 -0.008 0.000 0.805 347 A HN 1.045 nan 8.150 nan 0.000 0.449 348 A N -1.632 121.182 122.820 -0.010 0.000 2.238 348 A HA 0.411 4.731 4.320 0.000 0.000 0.208 348 A C 1.707 179.284 177.584 -0.013 0.000 1.177 348 A CA 1.115 53.145 52.037 -0.012 0.000 0.804 348 A CB -0.924 18.068 19.000 -0.012 0.000 0.823 348 A HN 1.862 nan 8.150 nan 0.000 0.482 349 G N -1.109 107.685 108.800 -0.011 0.000 2.182 349 G HA2 -0.230 3.730 3.960 0.000 0.000 0.248 349 G HA3 -0.230 3.730 3.960 0.000 0.000 0.248 349 G C 0.525 175.419 174.900 -0.010 0.000 1.042 349 G CA 0.508 45.602 45.100 -0.010 0.000 0.775 349 G HN 0.471 nan 8.290 nan 0.000 0.501 350 L N -1.380 119.837 121.223 -0.009 0.000 2.556 350 L HA 0.444 4.784 4.340 0.000 0.000 0.226 350 L C 1.658 178.523 176.870 -0.007 0.000 1.089 350 L CA 0.156 54.991 54.840 -0.008 0.000 0.864 350 L CB 0.044 42.098 42.059 -0.008 0.000 1.067 350 L HN 0.248 nan 8.230 nan 0.000 0.477 351 L N 0.000 121.219 121.223 -0.006 0.000 2.949 351 L HA 0.000 4.340 4.340 0.000 0.000 0.249 351 L CA 0.000 54.837 54.840 -0.006 0.000 0.813 351 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 351 L HN 0.000 nan 8.230 nan 0.000 0.502