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 2yri_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLLTPGPTP IPERVQKALL RPMRGHLDPE VLRVNRAIQE RLAALFDPGE DATA SEQUENCE GALVAALAGS GSLGMEAGLA NLDRGPVLVL VNGAFSQRVA EMAALHGLDP DATA SEQUENCE EVLDFPPGEP VDPEAVARAL KRRRYRMVAL VHGETSTGVL NPAEAIGALA DATA SEQUENCE KEAGALFFLD AVTTLGMLPF SMRAMGVDYA FTGSQKCLSA PPGLAPIAAS DATA SEQUENCE LEARKAFTGK RGWYLDLARV AEHWERGGYH HTTPVLLHYA LLEALDLVLE DATA SEQUENCE EGVAARERRA REVYAWVLEE LKARGFRPYP KASPLPTVLV VRPPEGVDAD DATA SEQUENCE RLVRALYAEG VAVAGGIGPT RGQVLRLGLM GEGARREAYQ AFLKALDRAL DATA SEQUENCE AL 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 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.235 55.300 -0.109 0.000 0.988 1 M CB 0.000 32.528 32.600 -0.121 0.000 1.302 2 L N 4.340 125.526 121.223 -0.062 0.000 2.513 2 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 2 L C -0.962 175.883 176.870 -0.042 0.000 1.187 2 L CA 0.713 55.524 54.840 -0.049 0.000 0.895 2 L CB 0.282 42.308 42.059 -0.055 0.000 1.147 2 L HN 0.807 nan 8.230 nan 0.000 0.483 3 L N 7.381 128.584 121.223 -0.033 0.000 2.302 3 L HA 0.216 4.556 4.340 -0.000 0.000 0.285 3 L C 0.075 176.920 176.870 -0.042 0.000 1.090 3 L CA -0.124 54.705 54.840 -0.020 0.000 0.866 3 L CB 0.164 42.221 42.059 -0.003 0.000 1.244 3 L HN 0.751 nan 8.230 nan 0.000 0.435 4 L N 3.253 124.439 121.223 -0.062 0.000 3.017 4 L HA 0.152 4.492 4.340 -0.000 0.000 0.255 4 L C 0.764 177.602 176.870 -0.053 0.000 1.247 4 L CA -0.206 54.573 54.840 -0.102 0.000 1.038 4 L CB 0.364 42.256 42.059 -0.278 0.000 1.380 4 L HN 0.558 nan 8.230 nan 0.000 0.548 5 T N -2.011 112.533 114.554 -0.017 0.000 2.907 5 T HA 0.199 4.549 4.350 -0.000 0.000 0.298 5 T C -2.052 172.643 174.700 -0.008 0.000 1.017 5 T CA -1.614 60.485 62.100 -0.001 0.000 1.118 5 T CB 0.912 69.791 68.868 0.019 0.000 0.948 5 T HN -0.027 nan 8.240 nan 0.000 0.531 6 P HA 0.290 nan 4.420 nan 0.000 0.238 6 P C 0.409 177.689 177.300 -0.034 0.000 1.714 6 P CA 0.159 63.245 63.100 -0.022 0.000 0.908 6 P CB -0.848 30.842 31.700 -0.016 0.000 1.893 7 G N 1.814 110.599 108.800 -0.026 0.000 3.367 7 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.686 7 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.686 7 G C -3.016 171.880 174.900 -0.006 0.000 1.146 7 G CA -0.977 44.105 45.100 -0.030 0.000 0.913 7 G HN 0.151 nan 8.290 nan 0.000 0.554 8 P HA 0.490 nan 4.420 nan 0.000 0.274 8 P C 0.462 177.759 177.300 -0.005 0.000 1.260 8 P CA 0.389 63.488 63.100 -0.001 0.000 0.793 8 P CB 0.876 32.583 31.700 0.012 0.000 1.048 9 T N -4.114 110.435 114.554 -0.008 0.000 2.916 9 T HA 0.580 4.930 4.350 -0.000 0.000 0.292 9 T C -2.873 171.826 174.700 -0.002 0.000 1.064 9 T CA -2.536 59.559 62.100 -0.008 0.000 1.011 9 T CB 0.616 69.473 68.868 -0.018 0.000 1.152 9 T HN 0.123 nan 8.240 nan 0.000 0.510 10 P HA 0.321 nan 4.420 nan 0.000 0.265 10 P C -0.797 176.506 177.300 0.005 0.000 1.193 10 P CA -0.182 62.920 63.100 0.003 0.000 0.765 10 P CB 0.188 31.890 31.700 0.002 0.000 0.823 11 I N 5.112 125.688 120.570 0.009 0.000 2.339 11 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 11 I C -2.033 174.092 176.117 0.014 0.000 0.994 11 I CA -2.543 58.764 61.300 0.012 0.000 1.191 11 I CB 1.363 39.374 38.000 0.019 0.000 1.343 11 I HN 0.164 nan 8.210 nan 0.000 0.458 12 P HA 0.099 nan 4.420 nan 0.000 0.268 12 P C 0.485 177.795 177.300 0.017 0.000 1.205 12 P CA -0.194 62.914 63.100 0.013 0.000 0.771 12 P CB 0.704 32.411 31.700 0.011 0.000 0.858 13 E N 1.880 122.089 120.200 0.016 0.000 2.086 13 E HA -0.314 4.036 4.350 -0.000 0.000 0.200 13 E C 1.909 178.521 176.600 0.020 0.000 1.012 13 E CA 1.305 57.716 56.400 0.018 0.000 0.812 13 E CB -0.108 29.600 29.700 0.014 0.000 0.743 13 E HN 0.410 nan 8.360 nan 0.000 0.453 14 R N 0.669 121.179 120.500 0.017 0.000 2.117 14 R HA -0.188 4.151 4.340 -0.000 0.000 0.243 14 R C 2.167 178.483 176.300 0.026 0.000 1.143 14 R CA 1.595 57.705 56.100 0.018 0.000 0.968 14 R CB -0.099 30.209 30.300 0.013 0.000 0.863 14 R HN 0.055 nan 8.270 nan 0.000 0.444 15 V N 0.388 120.319 119.914 0.028 0.000 2.346 15 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 15 V C 2.410 178.534 176.094 0.050 0.000 1.037 15 V CA 1.899 64.222 62.300 0.039 0.000 1.029 15 V CB -0.543 31.299 31.823 0.032 0.000 0.663 15 V HN 0.428 nan 8.190 nan 0.000 0.454 16 Q N 0.611 120.436 119.800 0.042 0.000 2.170 16 Q HA -0.213 4.127 4.340 -0.000 0.000 0.203 16 Q C 2.342 178.374 176.000 0.053 0.000 0.976 16 Q CA 2.221 58.052 55.803 0.047 0.000 0.858 16 Q CB -0.212 28.547 28.738 0.036 0.000 0.907 16 Q HN 0.676 nan 8.270 nan 0.000 0.433 17 K N 0.118 120.544 120.400 0.044 0.000 2.147 17 K HA 0.009 4.329 4.320 -0.000 0.000 0.205 17 K C 1.943 178.577 176.600 0.057 0.000 1.049 17 K CA 1.270 57.582 56.287 0.042 0.000 0.936 17 K CB -1.166 31.351 32.500 0.029 0.000 0.722 17 K HN 0.476 nan 8.250 nan 0.000 0.446 18 A N 0.907 123.767 122.820 0.066 0.000 2.076 18 A HA 0.012 4.332 4.320 -0.000 0.000 0.220 18 A C 2.271 179.954 177.584 0.166 0.000 1.160 18 A CA 1.389 53.480 52.037 0.089 0.000 0.653 18 A CB -0.450 18.611 19.000 0.102 0.000 0.801 18 A HN 0.481 nan 8.150 nan 0.000 0.455 19 L N -0.792 120.520 121.223 0.148 0.000 2.456 19 L HA -0.056 4.284 4.340 -0.000 0.000 0.224 19 L C 1.876 178.837 176.870 0.152 0.000 1.148 19 L CA 0.350 55.288 54.840 0.163 0.000 0.825 19 L CB -0.288 41.833 42.059 0.102 0.000 0.937 19 L HN 0.380 nan 8.230 nan 0.000 0.450 20 L N -0.961 120.333 121.223 0.119 0.000 2.509 20 L HA 0.046 4.386 4.340 -0.000 0.000 0.222 20 L C 1.125 178.054 176.870 0.098 0.000 1.123 20 L CA -0.043 54.852 54.840 0.091 0.000 0.856 20 L CB -0.180 41.913 42.059 0.057 0.000 0.985 20 L HN 0.171 nan 8.230 nan 0.000 0.456 21 R N 0.884 121.453 120.500 0.116 0.000 2.679 21 R HA 0.087 4.427 4.340 -0.000 0.000 0.268 21 R C -2.063 174.334 176.300 0.161 0.000 1.044 21 R CA -1.617 54.516 56.100 0.055 0.000 1.105 21 R CB -0.423 29.779 30.300 -0.164 0.000 0.989 21 R HN -0.138 nan 8.270 nan 0.000 0.447 22 P HA -0.156 nan 4.420 nan 0.000 0.259 22 P C -0.438 176.994 177.300 0.220 0.000 1.163 22 P CA 0.370 63.540 63.100 0.116 0.000 0.760 22 P CB 0.394 32.128 31.700 0.057 0.000 0.762 23 M N 5.013 124.710 119.600 0.161 0.000 2.245 23 M HA 0.178 4.658 4.480 -0.000 0.000 0.344 23 M C 0.007 176.377 176.300 0.116 0.000 1.170 23 M CA 0.973 56.352 55.300 0.132 0.000 1.135 23 M CB 0.031 32.669 32.600 0.064 0.000 1.574 23 M HN 0.250 nan 8.290 nan 0.000 0.452 24 R N 2.085 122.646 120.500 0.101 0.000 2.799 24 R HA 0.682 5.022 4.340 -0.000 0.000 0.270 24 R C -0.399 175.926 176.300 0.042 0.000 1.010 24 R CA -0.823 55.324 56.100 0.079 0.000 0.916 24 R CB 1.451 31.825 30.300 0.123 0.000 1.228 24 R HN 0.947 nan 8.270 nan 0.000 0.469 25 G N 0.162 108.976 108.800 0.024 0.000 2.544 25 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.242 25 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.242 25 G C 0.745 175.638 174.900 -0.013 0.000 1.247 25 G CA -0.308 44.801 45.100 0.016 0.000 0.840 25 G HN 0.919 nan 8.290 nan 0.000 0.578 26 H N 0.666 119.710 119.070 -0.043 0.000 2.521 26 H HA -0.004 4.552 4.556 -0.000 0.000 0.286 26 H C 1.489 176.831 175.328 0.023 0.000 1.034 26 H CA 0.795 56.809 56.048 -0.057 0.000 1.278 26 H CB -0.085 29.627 29.762 -0.084 0.000 1.386 26 H HN 0.370 nan 8.280 nan 0.000 0.567 27 L N 0.846 121.834 121.223 -0.392 0.000 2.693 27 L HA 0.130 4.470 4.340 -0.000 0.000 0.235 27 L C 0.532 177.331 176.870 -0.118 0.000 1.127 27 L CA -0.286 54.433 54.840 -0.202 0.000 0.914 27 L CB 0.270 42.164 42.059 -0.275 0.000 1.193 27 L HN 0.013 nan 8.230 nan 0.000 0.502 28 D N 1.923 122.264 120.400 -0.098 0.000 2.458 28 D HA 0.002 4.642 4.640 -0.000 0.000 0.243 28 D C -1.593 174.691 176.300 -0.027 0.000 1.146 28 D CA -1.349 52.623 54.000 -0.047 0.000 0.877 28 D CB 1.835 42.628 40.800 -0.012 0.000 1.176 28 D HN -0.094 nan 8.370 nan 0.000 0.461 29 P HA -0.160 nan 4.420 nan 0.000 0.217 29 P C 0.982 178.278 177.300 -0.007 0.000 1.148 29 P CA 1.024 64.112 63.100 -0.020 0.000 0.828 29 P CB 0.335 32.025 31.700 -0.016 0.000 0.783 30 E N -0.681 119.524 120.200 0.008 0.000 2.077 30 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 30 E C 2.092 178.723 176.600 0.052 0.000 0.989 30 E CA 1.035 57.450 56.400 0.025 0.000 0.800 30 E CB -0.997 28.721 29.700 0.030 0.000 0.746 30 E HN 0.138 nan 8.360 nan 0.000 0.452 31 V N 1.287 121.239 119.914 0.063 0.000 2.358 31 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 31 V C 2.409 178.510 176.094 0.012 0.000 1.047 31 V CA 1.055 63.404 62.300 0.083 0.000 1.035 31 V CB -0.438 31.410 31.823 0.042 0.000 0.658 31 V HN 0.136 nan 8.190 nan 0.000 0.452 32 L N -0.121 121.080 121.223 -0.037 0.000 2.079 32 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 32 L C 2.539 179.369 176.870 -0.065 0.000 1.081 32 L CA 1.837 56.615 54.840 -0.104 0.000 0.752 32 L CB -0.860 41.142 42.059 -0.094 0.000 0.896 32 L HN 0.259 nan 8.230 nan 0.000 0.433 33 R N -1.696 118.794 120.500 -0.015 0.000 2.153 33 R HA -0.011 4.329 4.340 -0.000 0.000 0.218 33 R C 2.168 178.489 176.300 0.035 0.000 1.072 33 R CA 0.732 56.835 56.100 0.005 0.000 0.990 33 R CB -0.297 30.008 30.300 0.008 0.000 0.889 33 R HN 0.201 nan 8.270 nan 0.000 0.452 34 V N 1.991 121.942 119.914 0.062 0.000 2.427 34 V HA -0.217 3.902 4.120 -0.000 0.000 0.248 34 V C 1.523 177.693 176.094 0.126 0.000 1.051 34 V CA 1.653 64.022 62.300 0.117 0.000 1.048 34 V CB -0.435 31.513 31.823 0.208 0.000 0.666 34 V HN 0.319 nan 8.190 nan 0.000 0.456 35 N N 0.638 119.376 118.700 0.064 0.000 2.244 35 N HA -0.137 4.603 4.740 -0.000 0.000 0.183 35 N C 2.026 177.613 175.510 0.129 0.000 1.016 35 N CA 1.774 54.837 53.050 0.021 0.000 0.866 35 N CB -0.490 37.752 38.487 -0.409 0.000 0.980 35 N HN 0.574 nan 8.380 nan 0.000 0.430 36 R N 1.033 121.569 120.500 0.060 0.000 2.066 36 R HA 0.224 4.563 4.340 -0.000 0.000 0.232 36 R C 2.304 178.663 176.300 0.098 0.000 1.131 36 R CA 1.557 57.704 56.100 0.078 0.000 0.955 36 R CB -1.474 nan 30.300 nan 0.000 0.851 36 R HN 0.342 nan 8.270 nan 0.000 0.432 37 A N 0.946 123.817 122.820 0.086 0.000 1.902 37 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 37 A C 2.453 180.096 177.584 0.099 0.000 1.181 37 A CA 1.504 53.588 52.037 0.079 0.000 0.623 37 A CB -0.376 18.665 19.000 0.068 0.000 0.818 37 A HN 0.519 nan 8.150 nan 0.000 0.443 38 I N -0.532 120.124 120.570 0.142 0.000 2.163 38 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 38 I C 2.819 179.021 176.117 0.141 0.000 1.085 38 I CA 1.678 63.070 61.300 0.153 0.000 1.347 38 I CB -0.452 37.690 38.000 0.236 0.000 1.044 38 I HN 0.464 nan 8.210 nan 0.000 0.408 39 Q N 0.160 120.073 119.800 0.188 0.000 2.096 39 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 39 Q C 2.143 178.202 176.000 0.100 0.000 0.982 39 Q CA 1.844 57.734 55.803 0.145 0.000 0.850 39 Q CB -0.207 28.636 28.738 0.174 0.000 0.901 39 Q HN 0.519 nan 8.270 nan 0.000 0.422 40 E N 0.353 120.605 120.200 0.087 0.000 2.106 40 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 40 E C 1.964 178.594 176.600 0.050 0.000 0.984 40 E CA 0.614 57.051 56.400 0.062 0.000 0.806 40 E CB 0.263 29.994 29.700 0.052 0.000 0.750 40 E HN 0.154 nan 8.360 nan 0.000 0.458 41 R N 0.355 120.882 120.500 0.045 0.000 2.075 41 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 41 R C 2.546 178.845 176.300 -0.001 0.000 1.126 41 R CA 0.745 56.856 56.100 0.018 0.000 0.963 41 R CB -0.884 29.424 30.300 0.013 0.000 0.858 41 R HN 0.321 nan 8.270 nan 0.000 0.435 42 L N 0.557 121.793 121.223 0.022 0.000 2.083 42 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 42 L C 2.581 179.525 176.870 0.125 0.000 1.083 42 L CA 1.248 56.101 54.840 0.022 0.000 0.752 42 L CB -0.619 41.520 42.059 0.133 0.000 0.899 42 L HN 0.153 nan 8.230 nan 0.000 0.433 43 A N -0.043 122.860 122.820 0.137 0.000 1.972 43 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 43 A C 2.497 180.143 177.584 0.103 0.000 1.169 43 A CA 1.552 53.676 52.037 0.146 0.000 0.635 43 A CB -0.535 18.520 19.000 0.091 0.000 0.810 43 A HN 0.401 nan 8.150 nan 0.000 0.446 44 A N -0.547 122.304 122.820 0.051 0.000 1.969 44 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 44 A C 2.111 179.703 177.584 0.013 0.000 1.169 44 A CA 1.322 53.375 52.037 0.028 0.000 0.635 44 A CB -0.378 18.627 19.000 0.008 0.000 0.810 44 A HN 0.470 nan 8.150 nan 0.000 0.445 45 L N -2.618 118.579 121.223 -0.042 0.000 2.145 45 L HA 0.038 4.378 4.340 -0.000 0.000 0.201 45 L C 2.403 179.250 176.870 -0.038 0.000 1.075 45 L CA 0.837 55.602 54.840 -0.125 0.000 0.773 45 L CB -0.454 41.406 42.059 -0.331 0.000 0.936 45 L HN 0.398 nan 8.230 nan 0.000 0.451 46 F N 0.161 120.135 119.950 0.041 0.000 2.163 46 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 46 F C 0.909 176.810 175.800 0.170 0.000 1.094 46 F CA 0.878 58.958 58.000 0.134 0.000 1.290 46 F CB 0.002 39.010 39.000 0.014 0.000 1.017 46 F HN 0.147 nan 8.300 nan 0.000 0.483 47 D N -0.669 119.891 120.400 0.266 0.000 2.746 47 D HA -0.145 4.495 4.640 -0.000 0.000 0.241 47 D C -1.704 174.665 176.300 0.116 0.000 1.140 47 D CA 0.385 54.471 54.000 0.143 0.000 0.707 47 D CB -0.410 40.450 40.800 0.100 0.000 1.034 47 D HN 0.149 nan 8.370 nan 0.000 0.423 48 P HA 0.102 nan 4.420 nan 0.000 0.225 48 P C 0.890 178.190 177.300 -0.000 0.000 1.156 48 P CA 1.483 64.598 63.100 0.025 0.000 0.787 48 P CB 0.272 31.955 31.700 -0.029 0.000 0.802 49 G N 1.369 110.176 108.800 0.011 0.000 2.705 49 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 49 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 49 G C -0.610 174.288 174.900 -0.004 0.000 1.285 49 G CA -0.392 44.708 45.100 0.001 0.000 0.800 49 G HN 0.515 nan 8.290 nan 0.000 0.611 50 E N 0.290 120.488 120.200 -0.002 0.000 2.437 50 E HA 0.405 4.754 4.350 -0.000 0.000 0.263 50 E C 1.428 178.023 176.600 -0.009 0.000 1.030 50 E CA 0.235 56.633 56.400 -0.003 0.000 0.934 50 E CB 0.491 30.191 29.700 -0.001 0.000 0.943 50 E HN 2.491 nan 8.360 nan 0.000 0.444 51 G N 1.167 109.963 108.800 -0.006 0.000 2.189 51 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.267 51 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.267 51 G C 0.369 175.259 174.900 -0.017 0.000 0.975 51 G CA 0.110 45.205 45.100 -0.010 0.000 0.644 51 G HN 1.015 nan 8.290 nan 0.000 0.537 52 A N -0.392 122.415 122.820 -0.023 0.000 2.371 52 A HA 0.717 5.037 4.320 -0.000 0.000 0.257 52 A C 0.273 177.833 177.584 -0.039 0.000 1.089 52 A CA 0.030 52.043 52.037 -0.041 0.000 0.794 52 A CB 0.865 19.830 19.000 -0.058 0.000 1.029 52 A HN 1.482 nan 8.150 nan 0.000 0.488 53 L N 3.200 124.395 121.223 -0.048 0.000 2.281 53 L HA 0.565 4.905 4.340 -0.000 0.000 0.285 53 L C -0.678 176.121 176.870 -0.118 0.000 1.074 53 L CA 0.248 55.061 54.840 -0.045 0.000 0.817 53 L CB 0.997 43.051 42.059 -0.007 0.000 1.168 53 L HN 0.350 nan 8.230 nan 0.000 0.434 54 V N 5.583 125.429 119.914 -0.112 0.000 2.531 54 V HA 0.967 5.087 4.120 -0.000 0.000 0.301 54 V C 0.035 175.963 176.094 -0.278 0.000 1.034 54 V CA 0.108 62.300 62.300 -0.179 0.000 0.865 54 V CB 0.804 32.587 31.823 -0.066 0.000 0.995 54 V HN 1.094 nan 8.190 nan 0.000 0.424 55 A N 3.716 126.223 122.820 -0.522 0.000 2.557 55 A HA 1.010 5.330 4.320 -0.000 0.000 0.292 55 A C -1.004 175.961 177.584 -1.032 0.000 1.139 55 A CA -0.220 51.074 52.037 -1.237 0.000 0.665 55 A CB 1.730 19.843 19.000 -1.479 0.000 1.285 55 A HN 1.653 nan 8.150 nan 0.000 0.433 56 A N 0.880 122.840 122.820 -1.434 0.000 2.545 56 A HA 0.613 4.933 4.320 -0.000 0.000 0.300 56 A C -0.480 176.985 177.584 -0.199 0.000 1.252 56 A CA -0.338 51.384 52.037 -0.525 0.000 0.753 56 A CB -0.252 18.573 19.000 -0.291 0.000 1.144 56 A HN 0.789 nan 8.150 nan 0.000 0.457 57 L N 1.470 122.625 121.223 -0.113 0.000 2.483 57 L HA 0.283 4.623 4.340 -0.000 0.000 0.276 57 L C 1.173 178.150 176.870 0.179 0.000 1.213 57 L CA -0.204 54.671 54.840 0.059 0.000 0.843 57 L CB 0.841 42.914 42.059 0.023 0.000 1.107 57 L HN 0.736 nan 8.230 nan 0.000 0.487 58 A N 2.587 125.573 122.820 0.277 0.000 2.990 58 A HA 0.598 4.918 4.320 -0.000 0.000 0.282 58 A C 0.500 178.248 177.584 0.273 0.000 1.688 58 A CA 0.460 52.685 52.037 0.314 0.000 1.391 58 A CB -0.826 18.423 19.000 0.414 0.000 1.112 58 A HN 0.904 nan 8.150 nan 0.000 0.588 59 G N -0.233 108.683 108.800 0.193 0.000 2.342 59 G HA2 0.505 4.465 3.960 -0.000 0.000 0.297 59 G HA3 0.505 4.465 3.960 -0.000 0.000 0.297 59 G C -0.195 174.770 174.900 0.109 0.000 1.313 59 G CA 0.114 45.307 45.100 0.155 0.000 0.830 59 G HN 1.149 nan 8.290 nan 0.000 0.506 60 S N -1.083 114.671 115.700 0.090 0.000 2.652 60 S HA 0.553 5.023 4.470 -0.000 0.000 0.267 60 S C 1.881 176.533 174.600 0.087 0.000 1.201 60 S CA 0.775 59.023 58.200 0.079 0.000 0.996 60 S CB 0.959 64.202 63.200 0.072 0.000 1.054 60 S HN 1.925 nan 8.310 nan 0.000 0.561 61 G N 0.439 109.300 108.800 0.101 0.000 2.450 61 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.220 61 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.220 61 G C 1.420 176.397 174.900 0.128 0.000 1.130 61 G CA 0.911 46.112 45.100 0.169 0.000 0.760 61 G HN 0.681 nan 8.290 nan 0.000 0.557 62 S N 0.169 115.932 115.700 0.104 0.000 2.382 62 S HA -0.119 4.351 4.470 -0.000 0.000 0.228 62 S C 2.142 176.735 174.600 -0.012 0.000 1.027 62 S CA 1.119 59.362 58.200 0.073 0.000 0.991 62 S CB -0.243 63.023 63.200 0.110 0.000 0.823 62 S HN 0.292 nan 8.310 nan 0.000 0.469 63 L N 2.218 123.450 121.223 0.015 0.000 2.017 63 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 63 L C 2.263 179.090 176.870 -0.071 0.000 1.073 63 L CA 2.098 56.949 54.840 0.018 0.000 0.745 63 L CB -1.395 40.718 42.059 0.091 0.000 0.894 63 L HN 0.289 nan 8.230 nan 0.000 0.432 64 G N -0.722 108.002 108.800 -0.125 0.000 2.442 64 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.219 64 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.219 64 G C 1.647 176.169 174.900 -0.630 0.000 1.141 64 G CA 1.028 45.986 45.100 -0.236 0.000 0.763 64 G HN 0.473 nan 8.290 nan 0.000 0.554 65 M N 0.154 119.159 119.600 -0.992 0.000 2.067 65 M HA -0.038 4.442 4.480 -0.000 0.000 0.260 65 M C 2.505 178.700 176.300 -0.176 0.000 1.069 65 M CA 2.241 57.045 55.300 -0.827 0.000 1.117 65 M CB -0.198 32.222 32.600 -0.300 0.000 1.334 65 M HN 0.383 nan 8.290 nan 0.000 0.407 66 E N -0.125 119.996 120.200 -0.132 0.000 2.153 66 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 66 E C 1.724 178.202 176.600 -0.203 0.000 0.988 66 E CA 1.188 57.535 56.400 -0.087 0.000 0.811 66 E CB -0.087 29.620 29.700 0.011 0.000 0.746 66 E HN 0.624 nan 8.360 nan 0.000 0.466 67 A N 0.595 123.296 122.820 -0.200 0.000 1.972 67 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 67 A C 2.327 179.574 177.584 -0.562 0.000 1.169 67 A CA 1.463 53.333 52.037 -0.279 0.000 0.635 67 A CB -0.907 18.015 19.000 -0.129 0.000 0.810 67 A HN 0.421 nan 8.150 nan 0.000 0.446 68 G N -1.198 107.223 108.800 -0.631 0.000 2.744 68 G HA2 0.172 4.132 3.960 -0.000 0.000 0.211 68 G HA3 0.172 4.132 3.960 -0.000 0.000 0.211 68 G C 1.276 175.839 174.900 -0.563 0.000 1.143 68 G CA 0.794 45.211 45.100 -1.137 0.000 0.788 68 G HN 0.438 nan 8.290 nan 0.000 0.534 69 L N -0.704 120.235 121.223 -0.473 0.000 2.515 69 L HA 0.282 4.622 4.340 -0.000 0.000 0.202 69 L C 3.038 179.615 176.870 -0.488 0.000 1.056 69 L CA 0.690 55.285 54.840 -0.409 0.000 0.847 69 L CB -0.329 41.540 42.059 -0.316 0.000 1.131 69 L HN 0.127 nan 8.230 nan 0.000 0.484 70 A N 0.814 123.236 122.820 -0.664 0.000 2.024 70 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 70 A C 1.645 178.922 177.584 -0.512 0.000 1.164 70 A CA 2.065 53.594 52.037 -0.847 0.000 0.643 70 A CB -0.676 17.818 19.000 -0.845 0.000 0.806 70 A HN 0.491 nan 8.150 nan 0.000 0.451 71 N N -1.068 117.286 118.700 -0.577 0.000 2.412 71 N HA 0.151 4.891 4.740 -0.000 0.000 0.184 71 N C 0.020 175.338 175.510 -0.320 0.000 1.101 71 N CA -0.159 52.583 53.050 -0.514 0.000 0.881 71 N CB -0.044 37.965 38.487 -0.795 0.000 0.969 71 N HN 0.412 nan 8.380 nan 0.000 0.459 72 L N 1.918 122.991 121.223 -0.251 0.000 2.462 72 L HA 0.046 4.386 4.340 -0.000 0.000 0.272 72 L C 0.864 177.753 176.870 0.031 0.000 1.166 72 L CA -0.133 54.736 54.840 0.048 0.000 0.880 72 L CB 0.493 42.578 42.059 0.043 0.000 1.142 72 L HN 0.200 nan 8.230 nan 0.000 0.473 73 D N 3.540 123.990 120.400 0.084 0.000 2.104 73 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 73 D C 0.424 176.744 176.300 0.033 0.000 0.994 73 D CA 1.736 55.765 54.000 0.048 0.000 0.830 73 D CB -0.019 40.812 40.800 0.053 0.000 0.959 73 D HN 0.659 nan 8.370 nan 0.000 0.452 74 R N -2.436 118.089 120.500 0.042 0.000 2.728 74 R HA 0.639 4.979 4.340 -0.000 0.000 0.274 74 R C -0.051 176.276 176.300 0.045 0.000 1.030 74 R CA -0.816 55.305 56.100 0.035 0.000 0.876 74 R CB 0.728 31.045 30.300 0.028 0.000 1.259 74 R HN 0.033 nan 8.270 nan 0.000 0.468 75 G N 0.146 108.972 108.800 0.043 0.000 2.606 75 G HA2 0.632 4.592 3.960 -0.000 0.000 0.262 75 G HA3 0.632 4.592 3.960 -0.000 0.000 0.262 75 G C -2.337 172.595 174.900 0.054 0.000 1.394 75 G CA -1.449 43.689 45.100 0.062 0.000 1.044 75 G HN 0.560 nan 8.290 nan 0.000 0.553 76 P HA 0.398 nan 4.420 nan 0.000 0.276 76 P C -1.009 176.459 177.300 0.280 0.000 1.252 76 P CA -0.307 62.879 63.100 0.144 0.000 0.802 76 P CB 1.801 33.558 31.700 0.094 0.000 1.035 77 V N 2.253 122.318 119.914 0.252 0.000 2.483 77 V HA 0.164 4.284 4.120 -0.000 0.000 0.297 77 V C 0.108 176.218 176.094 0.026 0.000 1.027 77 V CA -0.775 61.617 62.300 0.154 0.000 0.855 77 V CB 1.508 33.355 31.823 0.040 0.000 0.995 77 V HN 0.389 nan 8.190 nan 0.000 0.424 78 L N 7.200 128.274 121.223 -0.247 0.000 2.312 78 L HA 0.431 4.771 4.340 -0.000 0.000 0.287 78 L C -0.156 176.626 176.870 -0.146 0.000 1.091 78 L CA 0.411 54.970 54.840 -0.468 0.000 0.846 78 L CB 0.882 42.352 42.059 -0.981 0.000 1.219 78 L HN 0.480 nan 8.230 nan 0.000 0.439 79 V N 6.852 126.732 119.914 -0.056 0.000 2.368 79 V HA 0.213 4.333 4.120 -0.000 0.000 0.266 79 V C 0.412 176.551 176.094 0.076 0.000 1.045 79 V CA -0.526 61.790 62.300 0.026 0.000 0.899 79 V CB 0.838 32.677 31.823 0.026 0.000 1.006 79 V HN 0.506 nan 8.190 nan 0.000 0.470 80 L N 6.314 127.619 121.223 0.137 0.000 2.342 80 L HA 0.389 4.729 4.340 -0.000 0.000 0.285 80 L C -0.288 176.722 176.870 0.233 0.000 1.095 80 L CA -0.159 54.812 54.840 0.220 0.000 0.843 80 L CB 0.681 42.866 42.059 0.209 0.000 1.201 80 L HN 0.365 nan 8.230 nan 0.000 0.445 81 V N 3.579 123.643 119.914 0.251 0.000 2.435 81 V HA 0.382 4.502 4.120 -0.000 0.000 0.290 81 V C 0.274 176.532 176.094 0.274 0.000 1.030 81 V CA -0.482 61.947 62.300 0.214 0.000 0.881 81 V CB 1.675 33.577 31.823 0.132 0.000 0.983 81 V HN 0.953 nan 8.190 nan 0.000 0.445 82 N N 2.558 121.391 118.700 0.223 0.000 2.330 82 N HA 0.303 5.042 4.740 -0.000 0.000 0.249 82 N C -0.424 175.192 175.510 0.177 0.000 1.413 82 N CA 0.422 53.604 53.050 0.220 0.000 0.817 82 N CB 1.186 39.808 38.487 0.226 0.000 1.362 82 N HN 0.844 nan 8.380 nan 0.000 0.499 83 G N -1.341 107.549 108.800 0.150 0.000 2.451 83 G HA2 0.556 4.516 3.960 -0.000 0.000 0.292 83 G HA3 0.556 4.516 3.960 -0.000 0.000 0.292 83 G C 0.268 175.202 174.900 0.057 0.000 1.427 83 G CA -0.117 45.057 45.100 0.124 0.000 0.792 83 G HN 0.266 nan 8.290 nan 0.000 0.498 84 A N -0.526 122.270 122.820 -0.039 0.000 1.917 84 A HA 0.081 4.401 4.320 -0.000 0.000 0.219 84 A C 1.992 179.370 177.584 -0.343 0.000 1.182 84 A CA 2.308 54.196 52.037 -0.249 0.000 0.633 84 A CB -0.625 18.102 19.000 -0.455 0.000 0.819 84 A HN 0.693 nan 8.150 nan 0.000 0.448 85 F N 0.861 120.868 119.950 0.095 0.000 2.367 85 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 85 F C 2.774 178.665 175.800 0.152 0.000 1.094 85 F CA 1.252 59.326 58.000 0.124 0.000 1.409 85 F CB -0.110 38.968 39.000 0.131 0.000 1.064 85 F HN 0.322 nan 8.300 nan 0.000 0.528 86 S N -0.663 115.189 115.700 0.254 0.000 2.461 86 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 86 S C 1.721 176.407 174.600 0.143 0.000 1.005 86 S CA 0.492 58.826 58.200 0.223 0.000 0.942 86 S CB -0.471 62.854 63.200 0.207 0.000 0.776 86 S HN 0.444 nan 8.310 nan 0.000 0.514 87 Q N 1.063 120.914 119.800 0.085 0.000 2.119 87 Q HA 0.022 4.362 4.340 -0.000 0.000 0.201 87 Q C 2.379 178.398 176.000 0.032 0.000 0.972 87 Q CA 1.190 57.015 55.803 0.037 0.000 0.847 87 Q CB -0.195 28.537 28.738 -0.010 0.000 0.903 87 Q HN 0.623 nan 8.270 nan 0.000 0.433 88 R N 0.284 120.808 120.500 0.040 0.000 2.096 88 R HA -0.123 4.216 4.340 -0.000 0.000 0.235 88 R C 1.992 178.349 176.300 0.094 0.000 1.127 88 R CA 0.985 57.122 56.100 0.063 0.000 0.968 88 R CB -0.052 30.316 30.300 0.113 0.000 0.861 88 R HN 0.079 nan 8.270 nan 0.000 0.440 89 V N 1.028 121.023 119.914 0.135 0.000 2.295 89 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 89 V C 2.483 178.587 176.094 0.016 0.000 1.049 89 V CA 1.962 64.316 62.300 0.091 0.000 1.024 89 V CB -0.743 31.163 31.823 0.139 0.000 0.648 89 V HN 0.564 nan 8.190 nan 0.000 0.447 90 A N -0.603 122.236 122.820 0.031 0.000 1.933 90 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 90 A C 2.273 179.859 177.584 0.003 0.000 1.175 90 A CA 2.053 54.097 52.037 0.012 0.000 0.628 90 A CB -0.533 nan 19.000 nan 0.000 0.814 90 A HN 0.633 nan 8.150 nan 0.000 0.444 91 E N -0.627 119.578 120.200 0.008 0.000 2.058 91 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 91 E C 2.062 178.654 176.600 -0.014 0.000 0.997 91 E CA 1.562 57.959 56.400 -0.005 0.000 0.801 91 E CB -0.190 29.508 29.700 -0.003 0.000 0.746 91 E HN 0.685 nan 8.360 nan 0.000 0.450 92 M N -0.021 119.583 119.600 0.005 0.000 2.132 92 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 92 M C 2.464 178.795 176.300 0.052 0.000 1.065 92 M CA 1.286 56.602 55.300 0.025 0.000 1.122 92 M CB -0.132 32.508 32.600 0.067 0.000 1.365 92 M HN 0.179 nan 8.290 nan 0.000 0.411 93 A N 0.693 123.520 122.820 0.012 0.000 1.883 93 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 93 A C 2.391 179.986 177.584 0.019 0.000 1.186 93 A CA 2.094 54.136 52.037 0.008 0.000 0.624 93 A CB -1.010 17.967 19.000 -0.037 0.000 0.822 93 A HN 0.492 nan 8.150 nan 0.000 0.444 94 A N -0.468 122.349 122.820 -0.005 0.000 1.877 94 A HA -0.069 4.250 4.320 -0.000 0.000 0.216 94 A C 2.141 179.700 177.584 -0.042 0.000 1.186 94 A CA 1.805 53.834 52.037 -0.014 0.000 0.620 94 A CB -0.736 18.253 19.000 -0.017 0.000 0.822 94 A HN 0.810 nan 8.150 nan 0.000 0.443 95 L N -0.584 120.582 121.223 -0.094 0.000 2.043 95 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 95 L C 1.850 178.570 176.870 -0.251 0.000 1.075 95 L CA 2.105 56.826 54.840 -0.200 0.000 0.752 95 L CB -0.741 41.132 42.059 -0.309 0.000 0.891 95 L HN 0.542 nan 8.230 nan 0.000 0.432 96 H N -0.206 118.844 119.070 -0.034 0.000 2.536 96 H HA 0.289 4.845 4.556 -0.000 0.000 0.276 96 H C 1.404 176.715 175.328 -0.028 0.000 1.019 96 H CA 0.505 56.531 56.048 -0.037 0.000 1.159 96 H CB -0.370 29.357 29.762 -0.059 0.000 1.373 96 H HN 0.489 nan 8.280 nan 0.000 0.584 97 G N 1.492 110.323 108.800 0.052 0.000 2.249 97 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.273 97 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.273 97 G C 0.874 175.798 174.900 0.040 0.000 1.036 97 G CA 0.291 45.413 45.100 0.036 0.000 0.824 97 G HN 0.462 nan 8.290 nan 0.000 0.504 98 L N -0.156 121.093 121.223 0.044 0.000 2.627 98 L HA 0.192 4.531 4.340 -0.000 0.000 0.232 98 L C 1.224 178.120 176.870 0.043 0.000 1.150 98 L CA 0.283 55.145 54.840 0.037 0.000 0.917 98 L CB -0.057 42.015 42.059 0.022 0.000 1.104 98 L HN 0.361 nan 8.230 nan 0.000 0.445 99 D N 1.255 121.678 120.400 0.037 0.000 2.810 99 D HA -0.132 4.508 4.640 -0.000 0.000 0.224 99 D C -1.986 174.354 176.300 0.066 0.000 1.222 99 D CA -0.030 53.995 54.000 0.043 0.000 0.698 99 D CB 0.119 40.942 40.800 0.038 0.000 0.961 99 D HN 0.192 nan 8.370 nan 0.000 0.403 100 P HA 0.212 nan 4.420 nan 0.000 0.274 100 P C -0.407 176.939 177.300 0.076 0.000 1.231 100 P CA -0.026 63.110 63.100 0.060 0.000 0.790 100 P CB 0.990 32.704 31.700 0.024 0.000 0.951 101 E N 1.689 121.943 120.200 0.090 0.000 2.216 101 E HA 0.351 4.701 4.350 -0.000 0.000 0.260 101 E C -1.456 175.160 176.600 0.026 0.000 0.880 101 E CA -0.905 55.550 56.400 0.091 0.000 0.765 101 E CB 0.999 30.829 29.700 0.215 0.000 1.174 101 E HN 0.051 nan 8.360 nan 0.000 0.417 102 V N 5.311 125.237 119.914 0.019 0.000 2.465 102 V HA 0.315 4.435 4.120 -0.000 0.000 0.279 102 V C -0.368 175.715 176.094 -0.018 0.000 1.045 102 V CA -0.713 61.591 62.300 0.006 0.000 0.938 102 V CB 1.107 32.936 31.823 0.009 0.000 0.986 102 V HN 0.665 nan 8.190 nan 0.000 0.467 103 L N 5.318 126.530 121.223 -0.018 0.000 2.337 103 L HA 0.507 4.847 4.340 -0.000 0.000 0.269 103 L C -0.114 176.663 176.870 -0.154 0.000 1.018 103 L CA 0.262 55.046 54.840 -0.094 0.000 0.876 103 L CB 0.827 42.878 42.059 -0.013 0.000 1.236 103 L HN 0.601 nan 8.230 nan 0.000 0.436 104 D N 3.533 123.780 120.400 -0.254 0.000 2.304 104 D HA 0.337 4.977 4.640 -0.000 0.000 0.247 104 D C -1.077 174.906 176.300 -0.528 0.000 1.089 104 D CA 0.374 54.251 54.000 -0.206 0.000 0.910 104 D CB 1.056 41.791 40.800 -0.108 0.000 1.199 104 D HN 0.256 nan 8.370 nan 0.000 0.426 105 F N 0.617 120.590 119.950 0.037 0.000 2.588 105 F HA 0.297 4.824 4.527 -0.000 0.000 0.310 105 F C -2.096 173.730 175.800 0.043 0.000 1.082 105 F CA -2.026 55.996 58.000 0.036 0.000 0.929 105 F CB 1.771 40.795 39.000 0.040 0.000 1.254 105 F HN 0.029 nan 8.300 nan 0.000 0.455 106 P HA 0.117 nan 4.420 nan 0.000 0.265 106 P C -2.595 174.794 177.300 0.149 0.000 1.193 106 P CA -0.787 62.392 63.100 0.132 0.000 0.765 106 P CB 0.037 31.790 31.700 0.088 0.000 0.823 107 P HA 0.072 nan 4.420 nan 0.000 0.264 107 P C 0.995 178.412 177.300 0.194 0.000 1.193 107 P CA 1.191 64.428 63.100 0.228 0.000 0.763 107 P CB 0.209 32.074 31.700 0.275 0.000 0.810 108 G N 1.747 110.676 108.800 0.215 0.000 2.194 108 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 108 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 108 G C -0.072 174.820 174.900 -0.014 0.000 0.987 108 G CA -0.334 44.757 45.100 -0.014 0.000 0.635 108 G HN 0.545 nan 8.290 nan 0.000 0.520 109 E N 1.506 121.733 120.200 0.045 0.000 2.212 109 E HA 0.470 4.820 4.350 -0.000 0.000 0.268 109 E C -2.454 174.166 176.600 0.033 0.000 0.902 109 E CA -2.056 54.367 56.400 0.038 0.000 0.779 109 E CB 2.771 32.508 29.700 0.062 0.000 1.172 109 E HN 0.173 nan 8.360 nan 0.000 0.409 110 P HA 0.025 nan 4.420 nan 0.000 0.274 110 P C -0.146 176.995 177.300 -0.264 0.000 1.246 110 P CA -0.321 62.729 63.100 -0.083 0.000 0.795 110 P CB 0.767 32.425 31.700 -0.069 0.000 1.006 111 V N 1.941 121.611 119.914 -0.406 0.000 2.637 111 V HA 0.003 4.122 4.120 -0.000 0.000 0.296 111 V C 0.815 176.452 176.094 -0.762 0.000 1.046 111 V CA 0.566 62.271 62.300 -0.992 0.000 1.066 111 V CB 0.126 31.594 31.823 -0.592 0.000 0.968 111 V HN 0.580 nan 8.190 nan 0.000 0.483 112 D N 7.179 126.981 120.400 -0.997 0.000 2.359 112 D HA 0.276 4.916 4.640 -0.000 0.000 0.230 112 D C -1.229 175.001 176.300 -0.116 0.000 1.118 112 D CA -2.187 51.647 54.000 -0.277 0.000 0.844 112 D CB 1.880 42.712 40.800 0.052 0.000 1.059 112 D HN 0.218 nan 8.370 nan 0.000 0.493 113 P HA -0.181 nan 4.420 nan 0.000 0.216 113 P C 0.909 178.208 177.300 -0.001 0.000 1.150 113 P CA 1.110 64.179 63.100 -0.053 0.000 0.843 113 P CB 0.534 32.195 31.700 -0.065 0.000 0.787 114 E N 0.029 120.238 120.200 0.014 0.000 2.085 114 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 114 E C 2.256 178.897 176.600 0.068 0.000 0.994 114 E CA 1.338 57.758 56.400 0.033 0.000 0.801 114 E CB -0.501 29.219 29.700 0.033 0.000 0.743 114 E HN 0.210 nan 8.360 nan 0.000 0.453 115 A N 0.863 123.759 122.820 0.127 0.000 1.898 115 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 115 A C 2.500 180.183 177.584 0.166 0.000 1.181 115 A CA 1.044 53.190 52.037 0.182 0.000 0.620 115 A CB -0.567 18.654 19.000 0.369 0.000 0.819 115 A HN 0.105 nan 8.150 nan 0.000 0.442 116 V N 0.034 120.047 119.914 0.165 0.000 2.261 116 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 116 V C 3.085 179.211 176.094 0.053 0.000 1.047 116 V CA 1.999 64.362 62.300 0.104 0.000 1.015 116 V CB -1.396 30.453 31.823 0.043 0.000 0.642 116 V HN 0.615 nan 8.190 nan 0.000 0.446 117 A N 0.031 122.872 122.820 0.034 0.000 1.892 117 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 117 A C 2.374 179.983 177.584 0.042 0.000 1.188 117 A CA 2.252 54.303 52.037 0.024 0.000 0.631 117 A CB -0.583 18.424 19.000 0.010 0.000 0.822 117 A HN 0.532 nan 8.150 nan 0.000 0.447 118 R N -0.810 119.719 120.500 0.049 0.000 2.096 118 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 118 R C 2.458 178.798 176.300 0.066 0.000 1.127 118 R CA 1.132 57.262 56.100 0.050 0.000 0.968 118 R CB -0.449 29.878 30.300 0.045 0.000 0.861 118 R HN 0.538 nan 8.270 nan 0.000 0.440 119 A N 1.172 124.039 122.820 0.077 0.000 1.930 119 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 119 A C 2.127 179.822 177.584 0.184 0.000 1.175 119 A CA 0.987 53.088 52.037 0.106 0.000 0.627 119 A CB -0.408 18.634 19.000 0.070 0.000 0.815 119 A HN 0.175 nan 8.150 nan 0.000 0.443 120 L N -0.717 120.594 121.223 0.146 0.000 2.201 120 L HA -0.138 4.201 4.340 -0.000 0.000 0.212 120 L C 2.243 179.206 176.870 0.155 0.000 1.105 120 L CA 0.920 55.881 54.840 0.203 0.000 0.775 120 L CB -0.277 41.850 42.059 0.112 0.000 0.913 120 L HN 0.250 nan 8.230 nan 0.000 0.440 121 K N 0.190 120.649 120.400 0.097 0.000 2.228 121 K HA -0.053 4.267 4.320 -0.000 0.000 0.202 121 K C 2.517 179.145 176.600 0.047 0.000 1.051 121 K CA 1.145 57.466 56.287 0.058 0.000 0.960 121 K CB -0.361 32.163 32.500 0.040 0.000 0.743 121 K HN 0.290 nan 8.250 nan 0.000 0.458 122 R N 1.722 122.264 120.500 0.069 0.000 2.115 122 R HA -0.018 4.322 4.340 -0.000 0.000 0.230 122 R C 1.650 177.948 176.300 -0.003 0.000 1.111 122 R CA 1.890 58.016 56.100 0.044 0.000 0.976 122 R CB -0.929 29.413 30.300 0.070 0.000 0.870 122 R HN 0.407 nan 8.270 nan 0.000 0.445 123 R N -2.352 118.129 120.500 -0.032 0.000 2.734 123 R HA 0.768 5.108 4.340 -0.000 0.000 0.271 123 R C -0.419 175.678 176.300 -0.338 0.000 1.021 123 R CA -0.036 55.926 56.100 -0.230 0.000 0.893 123 R CB -0.069 29.995 30.300 -0.394 0.000 1.244 123 R HN 1.171 nan 8.270 nan 0.000 0.464 124 R N 0.885 121.177 120.500 -0.347 0.000 2.308 124 R HA 0.717 5.057 4.340 -0.000 0.000 0.305 124 R C -0.959 175.104 176.300 -0.395 0.000 1.053 124 R CA -0.221 55.739 56.100 -0.233 0.000 0.957 124 R CB 0.120 30.348 30.300 -0.121 0.000 1.022 124 R HN 0.725 nan 8.270 nan 0.000 0.461 125 Y N 0.793 121.107 120.300 0.023 0.000 2.429 125 Y HA 0.421 4.971 4.550 -0.000 0.000 0.342 125 Y C 1.344 177.265 175.900 0.035 0.000 1.004 125 Y CA -1.114 57.005 58.100 0.031 0.000 1.075 125 Y CB 2.448 40.932 38.460 0.041 0.000 1.214 125 Y HN 0.724 nan 8.280 nan 0.000 0.455 126 R N 1.666 122.283 120.500 0.195 0.000 2.119 126 R HA 0.173 4.513 4.340 -0.000 0.000 0.222 126 R C -0.319 176.071 176.300 0.150 0.000 1.088 126 R CA 1.173 57.351 56.100 0.130 0.000 0.984 126 R CB 0.258 30.617 30.300 0.099 0.000 0.884 126 R HN 0.779 nan 8.270 nan 0.000 0.447 127 M N -0.431 119.280 119.600 0.185 0.000 2.465 127 M HA 0.365 4.845 4.480 -0.000 0.000 0.284 127 M C -1.787 174.601 176.300 0.148 0.000 1.212 127 M CA -0.885 54.520 55.300 0.175 0.000 0.910 127 M CB 2.279 34.970 32.600 0.152 0.000 1.725 127 M HN -0.212 nan 8.290 nan 0.000 0.477 128 V N 2.981 123.010 119.914 0.191 0.000 2.487 128 V HA 0.848 4.968 4.120 -0.000 0.000 0.298 128 V C -0.344 175.944 176.094 0.323 0.000 1.028 128 V CA -0.653 61.738 62.300 0.153 0.000 0.860 128 V CB 1.408 33.301 31.823 0.118 0.000 0.991 128 V HN 0.898 nan 8.190 nan 0.000 0.427 129 A N 5.222 128.181 122.820 0.232 0.000 2.318 129 A HA 0.939 5.259 4.320 -0.000 0.000 0.324 129 A C -1.124 176.670 177.584 0.349 0.000 1.170 129 A CA -0.438 51.803 52.037 0.339 0.000 0.810 129 A CB 1.289 20.342 19.000 0.090 0.000 1.198 129 A HN 0.831 nan 8.150 nan 0.000 0.484 130 L N 2.484 123.948 121.223 0.401 0.000 2.393 130 L HA 0.731 5.071 4.340 -0.000 0.000 0.260 130 L C -1.249 175.764 176.870 0.238 0.000 1.002 130 L CA -0.454 54.566 54.840 0.300 0.000 0.818 130 L CB 2.457 44.721 42.059 0.342 0.000 1.369 130 L HN 0.409 nan 8.230 nan 0.000 0.412 131 V N 4.352 124.392 119.914 0.209 0.000 2.334 131 V HA 0.244 4.364 4.120 -0.000 0.000 0.281 131 V C 0.942 177.136 176.094 0.168 0.000 1.016 131 V CA -0.431 61.974 62.300 0.175 0.000 0.832 131 V CB 0.747 32.698 31.823 0.215 0.000 0.999 131 V HN 0.905 nan 8.190 nan 0.000 0.439 132 H N 4.548 123.627 119.070 0.015 0.000 2.265 132 H HA -0.104 4.452 4.556 -0.000 0.000 0.293 132 H C 1.157 176.498 175.328 0.022 0.000 1.089 132 H CA 1.852 57.919 56.048 0.031 0.000 1.244 132 H CB 0.197 29.978 29.762 0.032 0.000 1.355 132 H HN 0.656 nan 8.280 nan 0.000 0.485 133 G N 0.340 109.202 108.800 0.103 0.000 2.605 133 G HA2 0.300 4.260 3.960 -0.000 0.000 0.304 133 G HA3 0.300 4.260 3.960 -0.000 0.000 0.304 133 G C -1.154 173.775 174.900 0.049 0.000 1.333 133 G CA -0.519 44.592 45.100 0.018 0.000 0.973 133 G HN 0.201 nan 8.290 nan 0.000 0.507 134 E N 2.220 122.480 120.200 0.101 0.000 1.944 134 E HA 0.222 4.572 4.350 -0.000 0.000 0.272 134 E C 1.503 178.195 176.600 0.154 0.000 1.195 134 E CA -0.223 56.272 56.400 0.159 0.000 0.926 134 E CB 0.226 30.033 29.700 0.178 0.000 1.051 134 E HN 0.338 nan 8.360 nan 0.000 0.404 135 T N 1.539 116.181 114.554 0.147 0.000 2.803 135 T HA -0.221 4.129 4.350 -0.000 0.000 0.269 135 T C 1.634 176.444 174.700 0.183 0.000 1.052 135 T CA 1.621 63.791 62.100 0.117 0.000 1.136 135 T CB -0.207 68.664 68.868 0.004 0.000 0.864 135 T HN 0.525 nan 8.240 nan 0.000 0.467 136 S N 1.433 117.294 115.700 0.270 0.000 2.481 136 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 136 S C 1.976 176.600 174.600 0.039 0.000 0.996 136 S CA 1.154 59.442 58.200 0.147 0.000 0.942 136 S CB -0.573 62.684 63.200 0.095 0.000 0.768 136 S HN 0.705 nan 8.310 nan 0.000 0.520 137 T N -4.178 110.445 114.554 0.115 0.000 2.975 137 T HA 0.523 4.873 4.350 -0.000 0.000 0.261 137 T C 1.387 176.238 174.700 0.252 0.000 0.984 137 T CA 0.531 62.743 62.100 0.186 0.000 0.911 137 T CB 0.052 69.120 68.868 0.333 0.000 1.127 137 T HN 1.201 nan 8.240 nan 0.000 0.514 138 G N 1.150 110.049 108.800 0.165 0.000 2.182 138 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.248 138 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.248 138 G C -0.125 174.859 174.900 0.139 0.000 1.042 138 G CA 0.036 45.228 45.100 0.154 0.000 0.775 138 G HN 0.776 nan 8.290 nan 0.000 0.501 139 V N 0.538 120.526 119.914 0.124 0.000 2.459 139 V HA 0.678 4.798 4.120 -0.000 0.000 0.295 139 V C 0.315 176.445 176.094 0.060 0.000 1.029 139 V CA -0.957 61.396 62.300 0.089 0.000 0.874 139 V CB 1.780 33.664 31.823 0.103 0.000 0.985 139 V HN 0.439 nan 8.190 nan 0.000 0.438 140 L N 5.842 127.083 121.223 0.029 0.000 2.257 140 L HA 0.530 4.870 4.340 -0.000 0.000 0.290 140 L C 0.087 176.993 176.870 0.060 0.000 1.044 140 L CA 0.293 55.154 54.840 0.035 0.000 0.810 140 L CB 0.733 42.786 42.059 -0.011 0.000 1.193 140 L HN 0.568 nan 8.230 nan 0.000 0.425 141 N N 6.069 124.836 118.700 0.112 0.000 2.515 141 N HA 0.388 5.128 4.740 -0.000 0.000 0.279 141 N C -2.409 173.143 175.510 0.071 0.000 1.164 141 N CA -1.385 51.705 53.050 0.067 0.000 0.982 141 N CB 1.025 39.553 38.487 0.068 0.000 1.170 141 N HN 0.445 nan 8.380 nan 0.000 0.474 142 P HA 0.139 nan 4.420 nan 0.000 0.244 142 P C 0.034 177.313 177.300 -0.035 0.000 1.769 142 P CA -0.097 62.993 63.100 -0.017 0.000 1.102 142 P CB -0.140 31.532 31.700 -0.047 0.000 1.937 143 A N 2.835 125.622 122.820 -0.055 0.000 1.902 143 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 143 A C 2.262 179.822 177.584 -0.039 0.000 1.181 143 A CA 1.625 53.642 52.037 -0.034 0.000 0.623 143 A CB -0.937 17.873 19.000 -0.317 0.000 0.818 143 A HN 0.433 nan 8.150 nan 0.000 0.443 144 E N -0.087 120.059 120.200 -0.090 0.000 2.077 144 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 144 E C 2.072 178.600 176.600 -0.120 0.000 0.989 144 E CA 1.197 57.539 56.400 -0.096 0.000 0.800 144 E CB -0.282 29.368 29.700 -0.083 0.000 0.746 144 E HN 0.529 nan 8.360 nan 0.000 0.452 145 A N 1.080 123.835 122.820 -0.109 0.000 1.898 145 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 145 A C 2.132 179.611 177.584 -0.176 0.000 1.181 145 A CA 1.138 53.105 52.037 -0.116 0.000 0.620 145 A CB -0.424 18.524 19.000 -0.086 0.000 0.819 145 A HN 0.327 nan 8.150 nan 0.000 0.442 146 I N 0.166 120.608 120.570 -0.214 0.000 2.226 146 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 146 I C 2.677 178.400 176.117 -0.657 0.000 1.100 146 I CA 1.546 62.646 61.300 -0.334 0.000 1.374 146 I CB -1.964 35.891 38.000 -0.241 0.000 1.057 146 I HN 0.352 nan 8.210 nan 0.000 0.413 147 G N 0.619 108.934 108.800 -0.808 0.000 2.422 147 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 147 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 147 G C 1.851 176.503 174.900 -0.413 0.000 1.146 147 G CA 0.955 45.506 45.100 -0.915 0.000 0.769 147 G HN 0.491 nan 8.290 nan 0.000 0.547 148 A N 0.442 123.105 122.820 -0.262 0.000 1.933 148 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 148 A C 2.418 179.913 177.584 -0.148 0.000 1.175 148 A CA 1.174 53.115 52.037 -0.159 0.000 0.628 148 A CB -0.310 18.621 19.000 -0.116 0.000 0.814 148 A HN 0.368 nan 8.150 nan 0.000 0.444 149 L N -1.003 120.112 121.223 -0.180 0.000 2.072 149 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 149 L C 3.107 179.903 176.870 -0.123 0.000 1.079 149 L CA 0.908 55.670 54.840 -0.129 0.000 0.752 149 L CB -0.622 41.364 42.059 -0.122 0.000 0.906 149 L HN 0.422 nan 8.230 nan 0.000 0.436 150 A N 0.849 123.545 122.820 -0.206 0.000 1.883 150 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 150 A C 2.666 180.212 177.584 -0.063 0.000 1.186 150 A CA 2.655 54.608 52.037 -0.139 0.000 0.624 150 A CB -0.828 18.029 19.000 -0.239 0.000 0.822 150 A HN 0.340 nan 8.150 nan 0.000 0.444 151 K N 0.037 120.387 120.400 -0.083 0.000 2.103 151 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 151 K C 1.888 178.472 176.600 -0.026 0.000 1.048 151 K CA 2.029 58.293 56.287 -0.038 0.000 0.930 151 K CB -0.816 31.657 32.500 -0.045 0.000 0.716 151 K HN 0.795 nan 8.250 nan 0.000 0.444 152 E N -0.361 119.817 120.200 -0.037 0.000 2.106 152 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 152 E C 2.000 178.597 176.600 -0.004 0.000 0.984 152 E CA 0.853 57.240 56.400 -0.022 0.000 0.806 152 E CB -0.149 29.534 29.700 -0.028 0.000 0.750 152 E HN 0.522 nan 8.360 nan 0.000 0.458 153 A N 0.019 122.841 122.820 0.004 0.000 2.238 153 A HA 0.247 4.567 4.320 -0.000 0.000 0.208 153 A C 1.569 179.175 177.584 0.038 0.000 1.177 153 A CA 0.800 52.856 52.037 0.031 0.000 0.804 153 A CB -0.455 18.583 19.000 0.062 0.000 0.823 153 A HN 0.456 nan 8.150 nan 0.000 0.482 154 G N -1.757 107.058 108.800 0.025 0.000 2.198 154 G HA2 0.081 4.041 3.960 -0.000 0.000 0.260 154 G HA3 0.081 4.041 3.960 -0.000 0.000 0.260 154 G C 0.284 175.213 174.900 0.049 0.000 1.025 154 G CA 0.506 45.622 45.100 0.028 0.000 0.769 154 G HN 1.602 nan 8.290 nan 0.000 0.507 155 A N -0.491 122.368 122.820 0.066 0.000 2.325 155 A HA 0.848 5.168 4.320 -0.000 0.000 0.333 155 A C 0.512 178.164 177.584 0.114 0.000 1.155 155 A CA -0.696 51.402 52.037 0.102 0.000 0.814 155 A CB 0.925 20.010 19.000 0.141 0.000 1.206 155 A HN 0.751 nan 8.150 nan 0.000 0.482 156 L N 1.187 122.491 121.223 0.134 0.000 2.439 156 L HA 0.218 4.557 4.340 -0.000 0.000 0.269 156 L C -0.425 176.622 176.870 0.296 0.000 1.179 156 L CA -0.020 54.918 54.840 0.163 0.000 0.828 156 L CB 0.326 42.458 42.059 0.122 0.000 1.106 156 L HN 0.688 nan 8.230 nan 0.000 0.467 157 F N 3.621 123.636 119.950 0.107 0.000 2.375 157 F HA 0.347 4.874 4.527 -0.000 0.000 0.361 157 F C -0.619 175.322 175.800 0.236 0.000 1.117 157 F CA -1.526 56.556 58.000 0.137 0.000 1.037 157 F CB 0.864 39.900 39.000 0.059 0.000 1.192 157 F HN 0.129 nan 8.300 nan 0.000 0.452 158 F N 8.143 128.105 119.950 0.020 0.000 2.405 158 F HA 0.624 5.151 4.527 -0.000 0.000 0.355 158 F C -1.768 173.874 175.800 -0.263 0.000 1.121 158 F CA -0.802 57.207 58.000 0.014 0.000 1.112 158 F CB 0.944 40.044 39.000 0.165 0.000 1.126 158 F HN 0.377 nan 8.300 nan 0.000 0.481 159 L N 7.125 127.976 121.223 -0.620 0.000 2.441 159 L HA 0.340 4.680 4.340 -0.000 0.000 0.270 159 L C -1.157 175.412 176.870 -0.503 0.000 0.973 159 L CA -0.456 54.067 54.840 -0.528 0.000 0.842 159 L CB 1.201 42.878 42.059 -0.638 0.000 1.239 159 L HN 0.577 nan 8.230 nan 0.000 0.406 160 D N 4.373 124.548 120.400 -0.376 0.000 2.344 160 D HA 0.264 4.904 4.640 -0.000 0.000 0.253 160 D C 0.222 176.231 176.300 -0.486 0.000 1.255 160 D CA 0.333 53.910 54.000 -0.704 0.000 0.894 160 D CB 1.648 42.350 40.800 -0.163 0.000 1.067 160 D HN 0.693 nan 8.370 nan 0.000 0.492 161 A N 3.928 126.355 122.820 -0.654 0.000 2.545 161 A HA 0.165 4.485 4.320 -0.000 0.000 0.277 161 A C 1.936 179.258 177.584 -0.436 0.000 1.301 161 A CA -0.329 51.470 52.037 -0.397 0.000 0.935 161 A CB 0.117 18.772 19.000 -0.575 0.000 1.093 161 A HN 0.481 nan 8.150 nan 0.000 0.519 162 V N 0.675 120.326 119.914 -0.438 0.000 2.324 162 V HA -0.245 3.874 4.120 -0.000 0.000 0.250 162 V C 2.784 178.720 176.094 -0.264 0.000 1.060 162 V CA 2.721 64.828 62.300 -0.322 0.000 1.042 162 V CB -0.699 30.954 31.823 -0.283 0.000 0.650 162 V HN 0.830 nan 8.190 nan 0.000 0.450 163 T N -3.592 110.816 114.554 -0.243 0.000 3.144 163 T HA 0.043 4.392 4.350 -0.000 0.000 0.249 163 T C 1.153 175.707 174.700 -0.243 0.000 1.089 163 T CA 0.855 62.830 62.100 -0.208 0.000 0.989 163 T CB 0.087 68.859 68.868 -0.160 0.000 0.992 163 T HN 0.656 nan 8.240 nan 0.000 0.540 164 T N -1.139 113.234 114.554 -0.303 0.000 3.115 164 T HA 0.347 4.697 4.350 -0.000 0.000 0.256 164 T C 0.378 174.893 174.700 -0.308 0.000 0.970 164 T CA -0.460 61.445 62.100 -0.325 0.000 1.010 164 T CB -0.573 67.984 68.868 -0.518 0.000 1.151 164 T HN 0.226 nan 8.240 nan 0.000 0.479 165 L N 3.354 124.302 121.223 -0.458 0.000 2.615 165 L HA 0.480 4.820 4.340 -0.000 0.000 0.271 165 L C 1.313 177.952 176.870 -0.385 0.000 1.183 165 L CA 1.917 56.407 54.840 -0.584 0.000 0.933 165 L CB -0.248 41.306 42.059 -0.840 0.000 1.199 165 L HN 0.764 nan 8.230 nan 0.000 0.487 166 G N 3.711 112.334 108.800 -0.296 0.000 2.176 166 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.232 166 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.232 166 G C 0.441 175.253 174.900 -0.146 0.000 0.986 166 G CA 0.500 45.474 45.100 -0.210 0.000 0.643 166 G HN 0.621 nan 8.290 nan 0.000 0.522 167 M N -1.001 118.514 119.600 -0.142 0.000 2.060 167 M HA 0.550 5.030 4.480 -0.000 0.000 0.273 167 M C 0.324 176.569 176.300 -0.092 0.000 1.139 167 M CA 0.809 56.043 55.300 -0.109 0.000 1.091 167 M CB 0.601 33.130 32.600 -0.119 0.000 1.860 167 M HN 0.114 nan 8.290 nan 0.000 0.638 168 L N 0.113 121.279 121.223 -0.096 0.000 2.301 168 L HA 0.595 4.935 4.340 -0.000 0.000 0.264 168 L C -2.237 174.639 176.870 0.010 0.000 1.016 168 L CA -2.303 52.499 54.840 -0.063 0.000 0.821 168 L CB 1.219 43.210 42.059 -0.114 0.000 1.346 168 L HN -0.190 nan 8.230 nan 0.000 0.429 169 P HA 0.052 nan 4.420 nan 0.000 0.260 169 P C -1.327 176.077 177.300 0.174 0.000 1.185 169 P CA 0.649 63.791 63.100 0.070 0.000 0.763 169 P CB 0.015 31.735 31.700 0.034 0.000 0.776 170 F N 2.428 122.380 119.950 0.004 0.000 2.581 170 F HA 0.581 5.108 4.527 -0.000 0.000 0.311 170 F C -0.877 174.933 175.800 0.017 0.000 1.113 170 F CA -0.318 57.701 58.000 0.032 0.000 0.935 170 F CB 1.871 40.870 39.000 -0.003 0.000 1.232 170 F HN 0.172 nan 8.300 nan 0.000 0.445 171 S N 6.636 122.021 115.700 -0.526 0.000 2.616 171 S HA 0.296 4.766 4.470 -0.000 0.000 0.276 171 S C 0.224 174.601 174.600 -0.371 0.000 1.159 171 S CA -0.617 57.438 58.200 -0.241 0.000 1.000 171 S CB 0.897 64.033 63.200 -0.107 0.000 1.117 171 S HN 0.836 nan 8.310 nan 0.000 0.464 172 M N 3.225 122.724 119.600 -0.168 0.000 2.117 172 M HA -0.077 4.402 4.480 -0.000 0.000 0.262 172 M C 2.878 179.137 176.300 -0.068 0.000 1.065 172 M CA 2.134 57.367 55.300 -0.111 0.000 1.114 172 M CB -0.620 31.996 32.600 0.026 0.000 1.361 172 M HN 0.794 nan 8.290 nan 0.000 0.408 173 R N 0.547 121.023 120.500 -0.040 0.000 2.073 173 R HA 0.031 4.371 4.340 -0.000 0.000 0.234 173 R C 2.192 178.466 176.300 -0.044 0.000 1.134 173 R CA 1.947 58.030 56.100 -0.028 0.000 0.952 173 R CB -1.876 28.416 30.300 -0.014 0.000 0.850 173 R HN 0.559 nan 8.270 nan 0.000 0.433 174 A N 0.198 122.977 122.820 -0.068 0.000 1.968 174 A HA 0.116 4.435 4.320 -0.000 0.000 0.217 174 A C 2.261 179.793 177.584 -0.088 0.000 1.169 174 A CA 1.564 53.557 52.037 -0.074 0.000 0.638 174 A CB -0.099 18.853 19.000 -0.079 0.000 0.812 174 A HN 0.544 nan 8.150 nan 0.000 0.446 175 M N -1.031 118.498 119.600 -0.117 0.000 2.383 175 M HA 0.240 4.720 4.480 -0.000 0.000 0.247 175 M C 1.079 177.398 176.300 0.032 0.000 1.117 175 M CA 0.542 55.793 55.300 -0.082 0.000 0.995 175 M CB 0.417 32.914 32.600 -0.172 0.000 1.480 175 M HN 0.480 nan 8.290 nan 0.000 0.485 176 G N 1.795 110.605 108.800 0.018 0.000 2.305 176 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.287 176 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.287 176 G C -0.149 174.894 174.900 0.238 0.000 1.036 176 G CA -0.162 44.979 45.100 0.068 0.000 0.887 176 G HN 0.356 nan 8.290 nan 0.000 0.505 177 V N 0.124 120.148 119.914 0.184 0.000 2.546 177 V HA 0.302 4.422 4.120 -0.000 0.000 0.284 177 V C 0.941 177.070 176.094 0.057 0.000 1.050 177 V CA -0.050 62.330 62.300 0.134 0.000 0.981 177 V CB 1.655 33.422 31.823 -0.093 0.000 0.990 177 V HN 0.324 nan 8.190 nan 0.000 0.474 178 D N 1.933 122.381 120.400 0.080 0.000 2.388 178 D HA 0.084 4.724 4.640 -0.000 0.000 0.208 178 D C -0.414 175.934 176.300 0.078 0.000 1.035 178 D CA 0.930 54.961 54.000 0.053 0.000 0.875 178 D CB 0.881 41.723 40.800 0.071 0.000 0.984 178 D HN 0.548 nan 8.370 nan 0.000 0.508 179 Y N 0.577 120.833 120.300 -0.073 0.000 2.362 179 Y HA 0.468 5.018 4.550 -0.000 0.000 0.326 179 Y C -1.536 174.229 175.900 -0.225 0.000 1.083 179 Y CA -0.869 57.184 58.100 -0.077 0.000 1.073 179 Y CB 1.366 39.911 38.460 0.142 0.000 1.211 179 Y HN -0.134 nan 8.280 nan 0.000 0.433 180 A N 5.523 127.903 122.820 -0.733 0.000 2.469 180 A HA 0.941 5.261 4.320 -0.000 0.000 0.299 180 A C -1.790 175.445 177.584 -0.581 0.000 1.098 180 A CA -0.509 51.220 52.037 -0.514 0.000 0.737 180 A CB 1.371 20.297 19.000 -0.125 0.000 1.312 180 A HN 1.031 nan 8.150 nan 0.000 0.414 181 F N -1.523 118.210 119.950 -0.360 0.000 2.770 181 F HA 0.847 5.374 4.527 -0.000 0.000 0.313 181 F C -0.732 175.010 175.800 -0.097 0.000 1.154 181 F CA -0.133 57.741 58.000 -0.210 0.000 0.923 181 F CB 1.029 39.892 39.000 -0.230 0.000 1.301 181 F HN 0.873 nan 8.300 nan 0.000 0.449 182 T N -0.533 114.063 114.554 0.070 0.000 2.648 182 T HA 0.746 5.096 4.350 -0.000 0.000 0.304 182 T C -1.114 173.636 174.700 0.084 0.000 1.312 182 T CA -0.248 61.809 62.100 -0.072 0.000 1.023 182 T CB 1.384 70.116 68.868 -0.225 0.000 1.612 182 T HN 1.502 nan 8.240 nan 0.000 0.487 183 G N 0.440 109.240 108.800 -0.000 0.000 2.453 183 G HA2 0.491 4.451 3.960 -0.000 0.000 0.323 183 G HA3 0.491 4.451 3.960 -0.000 0.000 0.323 183 G C 1.044 175.931 174.900 -0.022 0.000 1.198 183 G CA 0.196 45.309 45.100 0.021 0.000 0.959 183 G HN 0.933 nan 8.290 nan 0.000 0.482 184 S N 0.187 115.885 115.700 -0.003 0.000 2.447 184 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 184 S C 1.709 176.297 174.600 -0.020 0.000 1.006 184 S CA 1.416 59.608 58.200 -0.014 0.000 0.957 184 S CB -0.035 63.173 63.200 0.013 0.000 0.773 184 S HN 0.697 nan 8.310 nan 0.000 0.507 185 Q N 0.762 120.554 119.800 -0.014 0.000 2.320 185 Q HA 0.189 4.529 4.340 -0.000 0.000 0.201 185 Q C 0.499 176.476 176.000 -0.038 0.000 0.910 185 Q CA -0.026 55.767 55.803 -0.017 0.000 0.946 185 Q CB 0.019 28.756 28.738 -0.001 0.000 1.062 185 Q HN 0.340 nan 8.270 nan 0.000 0.503 186 K N 0.811 121.173 120.400 -0.064 0.000 3.383 186 K HA 0.141 4.461 4.320 -0.000 0.000 0.164 186 K C 1.924 178.469 176.600 -0.092 0.000 1.145 186 K CA 0.492 56.725 56.287 -0.089 0.000 1.507 186 K CB -0.970 31.454 32.500 -0.127 0.000 2.086 186 K HN 0.108 nan 8.250 nan 0.000 0.502 187 C N 1.762 120.988 119.300 -0.124 0.000 2.437 187 C HA 0.088 4.548 4.460 -0.000 0.000 0.283 187 C C 2.666 177.591 174.990 -0.107 0.000 1.424 187 C CA 0.175 59.121 59.018 -0.120 0.000 1.782 187 C CB -1.222 26.424 27.740 -0.157 0.000 1.833 187 C HN 0.327 nan 8.230 nan 0.000 0.532 188 L N 0.612 121.770 121.223 -0.110 0.000 2.478 188 L HA -0.008 4.332 4.340 -0.000 0.000 0.223 188 L C 1.377 178.214 176.870 -0.055 0.000 1.140 188 L CA 0.470 55.255 54.840 -0.092 0.000 0.842 188 L CB -0.520 41.479 42.059 -0.100 0.000 0.953 188 L HN 0.276 nan 8.230 nan 0.000 0.452 189 S N -0.250 115.423 115.700 -0.045 0.000 3.641 189 S HA -0.171 4.299 4.470 -0.000 0.000 0.346 189 S C 0.337 174.931 174.600 -0.009 0.000 1.074 189 S CA 0.471 58.657 58.200 -0.024 0.000 1.026 189 S CB -1.324 61.865 63.200 -0.019 0.000 0.908 189 S HN 0.575 nan 8.310 nan 0.000 0.479 190 A N 1.298 124.113 122.820 -0.009 0.000 2.299 190 A HA 0.851 5.171 4.320 -0.000 0.000 0.332 190 A C -2.443 175.152 177.584 0.018 0.000 1.131 190 A CA -2.016 50.027 52.037 0.010 0.000 0.844 190 A CB 0.764 19.771 19.000 0.011 0.000 1.251 190 A HN 0.181 nan 8.150 nan 0.000 0.486 191 P HA 0.202 nan 4.420 nan 0.000 0.271 191 P C -2.677 174.646 177.300 0.038 0.000 1.218 191 P CA -0.912 62.210 63.100 0.036 0.000 0.780 191 P CB -0.008 31.720 31.700 0.047 0.000 0.901 192 P HA 0.096 nan 4.420 nan 0.000 0.272 192 P C 0.679 178.011 177.300 0.054 0.000 1.223 192 P CA 0.542 63.666 63.100 0.039 0.000 0.784 192 P CB 0.415 32.135 31.700 0.034 0.000 0.923 193 G N 0.423 109.261 108.800 0.063 0.000 2.672 193 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.197 193 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.197 193 G C -0.387 174.578 174.900 0.108 0.000 0.995 193 G CA -0.407 44.743 45.100 0.083 0.000 0.754 193 G HN 0.439 nan 8.290 nan 0.000 0.505 194 L N 0.559 121.836 121.223 0.090 0.000 2.333 194 L HA 0.862 5.202 4.340 -0.000 0.000 0.263 194 L C -0.142 176.764 176.870 0.061 0.000 1.014 194 L CA -0.866 54.027 54.840 0.089 0.000 0.820 194 L CB 2.395 44.493 42.059 0.066 0.000 1.352 194 L HN 0.277 nan 8.230 nan 0.000 0.421 195 A N 2.298 125.147 122.820 0.048 0.000 2.702 195 A HA 0.663 4.983 4.320 -0.000 0.000 0.305 195 A C -2.672 174.917 177.584 0.009 0.000 1.213 195 A CA -1.359 50.709 52.037 0.051 0.000 0.745 195 A CB 0.467 19.510 19.000 0.072 0.000 1.161 195 A HN 0.296 nan 8.150 nan 0.000 0.445 196 P HA 0.319 nan 4.420 nan 0.000 0.264 196 P C -0.450 176.892 177.300 0.070 0.000 1.193 196 P CA 0.364 63.475 63.100 0.019 0.000 0.763 196 P CB 0.479 32.219 31.700 0.068 0.000 0.810 197 I N 0.311 120.800 120.570 -0.134 0.000 3.042 197 I HA 0.935 5.105 4.170 -0.000 0.000 0.310 197 I C -1.320 174.371 176.117 -0.711 0.000 1.117 197 I CA -1.575 59.505 61.300 -0.367 0.000 1.003 197 I CB 2.115 39.967 38.000 -0.246 0.000 1.228 197 I HN 0.280 nan 8.210 nan 0.000 0.443 198 A N 2.689 124.917 122.820 -0.986 0.000 2.456 198 A HA 0.927 5.247 4.320 -0.000 0.000 0.288 198 A C -1.002 176.251 177.584 -0.551 0.000 1.042 198 A CA -0.094 51.425 52.037 -0.862 0.000 0.738 198 A CB 1.071 19.226 19.000 -1.408 0.000 1.266 198 A HN 1.595 nan 8.150 nan 0.000 0.407 199 A N 2.313 125.003 122.820 -0.216 0.000 2.311 199 A HA 0.729 5.049 4.320 -0.000 0.000 0.306 199 A C 0.539 178.081 177.584 -0.070 0.000 1.189 199 A CA 0.168 52.212 52.037 0.012 0.000 0.791 199 A CB 0.393 19.562 19.000 0.282 0.000 1.172 199 A HN 2.067 nan 8.150 nan 0.000 0.481 200 S N 2.113 117.761 115.700 -0.086 0.000 2.598 200 S HA 0.158 4.628 4.470 -0.000 0.000 0.256 200 S C 1.185 175.727 174.600 -0.097 0.000 1.350 200 S CA 0.171 58.322 58.200 -0.082 0.000 0.984 200 S CB 0.211 63.374 63.200 -0.062 0.000 0.930 200 S HN 1.228 nan 8.310 nan 0.000 0.577 201 L N 0.751 121.931 121.223 -0.071 0.000 2.046 201 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 201 L C 2.496 179.310 176.870 -0.093 0.000 1.077 201 L CA 1.936 56.735 54.840 -0.067 0.000 0.747 201 L CB -1.227 40.807 42.059 -0.042 0.000 0.896 201 L HN 0.748 nan 8.230 nan 0.000 0.432 202 E N -0.159 119.986 120.200 -0.092 0.000 2.150 202 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 202 E C 2.205 178.688 176.600 -0.195 0.000 0.985 202 E CA 1.134 57.473 56.400 -0.102 0.000 0.814 202 E CB -0.434 29.229 29.700 -0.061 0.000 0.752 202 E HN 0.623 nan 8.360 nan 0.000 0.466 203 A N 1.579 124.225 122.820 -0.290 0.000 1.877 203 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 203 A C 2.179 179.218 177.584 -0.908 0.000 1.186 203 A CA 1.369 53.007 52.037 -0.666 0.000 0.620 203 A CB -0.431 18.182 19.000 -0.645 0.000 0.822 203 A HN 0.128 nan 8.150 nan 0.000 0.443 204 R N -0.103 120.117 120.500 -0.467 0.000 2.105 204 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 204 R C 2.131 178.376 176.300 -0.091 0.000 1.135 204 R CA 1.672 57.657 56.100 -0.190 0.000 0.967 204 R CB -0.314 29.950 30.300 -0.060 0.000 0.861 204 R HN 0.516 nan 8.270 nan 0.000 0.442 205 K N 0.277 120.611 120.400 -0.110 0.000 2.097 205 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 205 K C 2.007 178.590 176.600 -0.028 0.000 1.050 205 K CA 1.337 57.594 56.287 -0.050 0.000 0.938 205 K CB -0.016 32.455 32.500 -0.049 0.000 0.718 205 K HN 0.151 nan 8.250 nan 0.000 0.442 206 A N 0.576 123.352 122.820 -0.073 0.000 2.123 206 A HA 0.066 4.386 4.320 -0.000 0.000 0.214 206 A C 0.946 178.629 177.584 0.165 0.000 1.152 206 A CA 0.124 52.163 52.037 0.004 0.000 0.728 206 A CB -0.244 18.735 19.000 -0.035 0.000 0.814 206 A HN 0.209 nan 8.150 nan 0.000 0.464 207 F N 1.809 121.743 119.950 -0.026 0.000 2.668 207 F HA 0.035 4.562 4.527 -0.000 0.000 0.365 207 F C 1.394 177.164 175.800 -0.050 0.000 1.165 207 F CA 0.194 58.164 58.000 -0.050 0.000 1.344 207 F CB -0.002 38.965 39.000 -0.055 0.000 1.658 207 F HN 0.300 nan 8.300 nan 0.000 0.620 208 T N -2.878 111.756 114.554 0.132 0.000 3.105 208 T HA 0.178 4.527 4.350 -0.000 0.000 0.253 208 T C 0.974 175.684 174.700 0.016 0.000 1.047 208 T CA -0.294 61.838 62.100 0.054 0.000 0.944 208 T CB 0.273 69.165 68.868 0.041 0.000 1.016 208 T HN 0.275 nan 8.240 nan 0.000 0.544 209 G N 0.547 109.346 108.800 -0.003 0.000 2.483 209 G HA2 0.488 4.448 3.960 -0.000 0.000 0.248 209 G HA3 0.488 4.448 3.960 -0.000 0.000 0.248 209 G C -0.225 174.638 174.900 -0.062 0.000 1.248 209 G CA -0.512 44.564 45.100 -0.040 0.000 0.838 209 G HN 0.680 nan 8.290 nan 0.000 0.566 210 K N 1.974 122.352 120.400 -0.037 0.000 2.687 210 K HA 0.469 4.789 4.320 -0.000 0.000 0.197 210 K C 0.598 177.199 176.600 0.001 0.000 1.049 210 K CA -0.674 55.597 56.287 -0.026 0.000 1.030 210 K CB 0.336 32.834 32.500 -0.004 0.000 1.261 210 K HN 0.678 nan 8.250 nan 0.000 0.565 211 R N -0.248 120.244 120.500 -0.014 0.000 2.419 211 R HA 0.230 4.570 4.340 -0.000 0.000 0.235 211 R C 0.665 177.014 176.300 0.082 0.000 0.899 211 R CA 0.366 56.490 56.100 0.041 0.000 1.048 211 R CB 1.908 32.240 30.300 0.054 0.000 1.182 211 R HN 0.543 nan 8.270 nan 0.000 0.544 212 G N -0.822 108.014 108.800 0.058 0.000 2.667 212 G HA2 0.240 4.199 3.960 -0.000 0.000 0.298 212 G HA3 0.240 4.199 3.960 -0.000 0.000 0.298 212 G C -1.171 173.833 174.900 0.174 0.000 1.377 212 G CA -0.692 44.487 45.100 0.132 0.000 0.964 212 G HN 0.176 nan 8.290 nan 0.000 0.493 213 W N 1.470 122.826 121.300 0.092 0.000 2.560 213 W HA 0.077 4.737 4.660 -0.000 0.000 0.303 213 W C 2.007 178.652 176.519 0.211 0.000 1.151 213 W CA 1.162 58.581 57.345 0.125 0.000 1.426 213 W CB -0.100 29.434 29.460 0.123 0.000 1.135 213 W HN 0.586 nan 8.180 nan 0.000 0.522 214 Y N 1.681 122.323 120.300 0.570 0.000 2.193 214 Y HA -0.233 4.317 4.550 -0.000 0.000 0.285 214 Y C 1.855 177.881 175.900 0.209 0.000 1.166 214 Y CA 2.477 60.821 58.100 0.406 0.000 1.181 214 Y CB -0.582 38.019 38.460 0.235 0.000 0.976 214 Y HN 0.031 nan 8.280 nan 0.000 0.520 215 L N -1.229 120.101 121.223 0.180 0.000 2.685 215 L HA 0.268 4.608 4.340 -0.000 0.000 0.233 215 L C -0.196 176.621 176.870 -0.089 0.000 1.173 215 L CA -0.070 54.783 54.840 0.021 0.000 0.961 215 L CB -0.730 41.350 42.059 0.035 0.000 1.217 215 L HN -0.069 nan 8.230 nan 0.000 0.478 216 D N 1.082 121.406 120.400 -0.126 0.000 2.342 216 D HA 0.045 4.685 4.640 -0.000 0.000 0.260 216 D C 1.077 177.235 176.300 -0.237 0.000 1.278 216 D CA 0.287 54.158 54.000 -0.216 0.000 0.910 216 D CB 0.825 41.445 40.800 -0.301 0.000 1.079 216 D HN 0.316 nan 8.370 nan 0.000 0.496 217 L N 3.330 124.440 121.223 -0.189 0.000 2.353 217 L HA -0.140 4.200 4.340 -0.000 0.000 0.220 217 L C 2.307 179.109 176.870 -0.113 0.000 1.133 217 L CA 0.765 55.533 54.840 -0.121 0.000 0.798 217 L CB -0.232 41.800 42.059 -0.044 0.000 0.922 217 L HN 0.429 nan 8.230 nan 0.000 0.445 218 A N 0.302 123.032 122.820 -0.150 0.000 1.897 218 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 218 A C 2.401 179.843 177.584 -0.238 0.000 1.181 218 A CA 0.940 52.894 52.037 -0.138 0.000 0.620 218 A CB -0.273 18.654 19.000 -0.121 0.000 0.821 218 A HN 0.283 nan 8.150 nan 0.000 0.443 219 R N -0.565 119.680 120.500 -0.425 0.000 2.081 219 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 219 R C 1.986 177.830 176.300 -0.759 0.000 1.131 219 R CA 1.388 57.044 56.100 -0.739 0.000 0.960 219 R CB -0.534 29.015 30.300 -1.251 0.000 0.856 219 R HN 0.368 nan 8.270 nan 0.000 0.436 220 V N 1.079 120.677 119.914 -0.526 0.000 2.407 220 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 220 V C 2.420 178.572 176.094 0.096 0.000 1.055 220 V CA 1.967 64.216 62.300 -0.085 0.000 1.049 220 V CB -0.662 31.159 31.823 -0.004 0.000 0.662 220 V HN 0.412 nan 8.190 nan 0.000 0.455 221 A N -0.030 122.787 122.820 -0.004 0.000 1.933 221 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 221 A C 2.181 179.798 177.584 0.055 0.000 1.175 221 A CA 1.899 53.968 52.037 0.053 0.000 0.628 221 A CB -0.489 18.516 19.000 0.008 0.000 0.814 221 A HN 0.542 nan 8.150 nan 0.000 0.444 222 E N -0.303 119.890 120.200 -0.011 0.000 2.118 222 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 222 E C 1.718 178.356 176.600 0.064 0.000 0.992 222 E CA 2.022 58.423 56.400 0.001 0.000 0.804 222 E CB -0.400 29.268 29.700 -0.053 0.000 0.741 222 E HN 0.791 nan 8.360 nan 0.000 0.458 223 H N -1.945 117.122 119.070 -0.006 0.000 2.370 223 H HA 0.054 4.610 4.556 -0.000 0.000 0.304 223 H C 1.376 176.654 175.328 -0.084 0.000 1.055 223 H CA 1.633 57.655 56.048 -0.043 0.000 1.373 223 H CB -0.472 29.244 29.762 -0.076 0.000 1.423 223 H HN 0.163 nan 8.280 nan 0.000 0.533 224 W N 1.197 122.411 121.300 -0.144 0.000 2.467 224 W HA 0.073 4.733 4.660 -0.000 0.000 0.275 224 W C 2.143 178.590 176.519 -0.119 0.000 1.239 224 W CA 1.051 58.293 57.345 -0.171 0.000 1.266 224 W CB 0.310 29.735 29.460 -0.058 0.000 1.112 224 W HN 0.366 nan 8.180 nan 0.000 0.576 225 E N -0.445 119.818 120.200 0.104 0.000 2.110 225 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 225 E C 1.929 178.531 176.600 0.003 0.000 0.950 225 E CA 0.465 56.898 56.400 0.055 0.000 0.840 225 E CB -0.139 29.593 29.700 0.055 0.000 0.809 225 E HN 0.151 nan 8.360 nan 0.000 0.465 226 R N 0.179 120.678 120.500 -0.002 0.000 2.334 226 R HA 0.150 4.490 4.340 -0.000 0.000 0.216 226 R C 0.857 177.145 176.300 -0.020 0.000 0.905 226 R CA 0.579 56.675 56.100 -0.006 0.000 1.064 226 R CB 0.798 31.104 30.300 0.009 0.000 1.046 226 R HN 0.272 nan 8.270 nan 0.000 0.508 227 G N 1.159 109.914 108.800 -0.075 0.000 2.166 227 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.260 227 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.260 227 G C 0.487 175.432 174.900 0.074 0.000 0.986 227 G CA 0.239 45.288 45.100 -0.085 0.000 0.683 227 G HN 0.554 nan 8.290 nan 0.000 0.527 228 G N -1.207 107.660 108.800 0.112 0.000 2.616 228 G HA2 0.486 4.446 3.960 -0.000 0.000 0.268 228 G HA3 0.486 4.446 3.960 -0.000 0.000 0.268 228 G C -0.240 174.827 174.900 0.279 0.000 1.213 228 G CA -0.300 44.899 45.100 0.165 0.000 0.926 228 G HN 0.781 nan 8.290 nan 0.000 0.523 229 Y N -0.304 120.070 120.300 0.122 0.000 2.365 229 Y HA 0.338 4.888 4.550 -0.000 0.000 0.340 229 Y C 0.977 176.966 175.900 0.149 0.000 1.016 229 Y CA -0.214 57.955 58.100 0.116 0.000 1.196 229 Y CB 0.691 39.228 38.460 0.129 0.000 1.167 229 Y HN 0.727 nan 8.280 nan 0.000 0.509 230 H N 4.067 122.690 119.070 -0.745 0.000 2.311 230 H HA 0.192 4.748 4.556 -0.000 0.000 0.289 230 H C -0.682 174.108 175.328 -0.896 0.000 1.022 230 H CA 0.536 56.179 56.048 -0.674 0.000 1.416 230 H CB 0.585 30.061 29.762 -0.476 0.000 1.480 230 H HN 0.742 nan 8.280 nan 0.000 0.609 231 H N -1.164 117.449 119.070 -0.762 0.000 3.017 231 H HA 0.335 4.891 4.556 -0.000 0.000 0.346 231 H C -1.253 173.927 175.328 -0.247 0.000 1.286 231 H CA -0.746 55.034 56.048 -0.447 0.000 1.120 231 H CB 0.907 30.519 29.762 -0.251 0.000 1.860 231 H HN -0.001 nan 8.280 nan 0.000 0.542 232 T N 2.378 116.972 114.554 0.067 0.000 2.916 232 T HA 0.360 4.710 4.350 -0.000 0.000 0.303 232 T C 0.324 175.051 174.700 0.046 0.000 1.025 232 T CA 0.408 62.322 62.100 -0.310 0.000 1.142 232 T CB 0.188 68.824 68.868 -0.386 0.000 0.947 232 T HN 0.787 nan 8.240 nan 0.000 0.544 233 T N 0.791 115.299 114.554 -0.077 0.000 2.934 233 T HA 0.487 4.837 4.350 -0.000 0.000 0.283 233 T C -2.599 172.067 174.700 -0.056 0.000 1.005 233 T CA -2.186 59.926 62.100 0.020 0.000 1.041 233 T CB 1.339 70.129 68.868 -0.131 0.000 1.042 233 T HN 0.259 nan 8.240 nan 0.000 0.505 234 P HA 0.233 nan 4.420 nan 0.000 0.231 234 P C 1.284 178.519 177.300 -0.107 0.000 1.811 234 P CA -0.392 62.719 63.100 0.019 0.000 1.051 234 P CB -0.097 31.686 31.700 0.138 0.000 1.951 235 V N 2.639 122.366 119.914 -0.312 0.000 2.277 235 V HA -0.313 3.807 4.120 -0.000 0.000 0.253 235 V C 2.582 178.300 176.094 -0.625 0.000 1.067 235 V CA 1.945 63.942 62.300 -0.506 0.000 1.047 235 V CB -1.019 30.559 31.823 -0.409 0.000 0.649 235 V HN 0.346 nan 8.190 nan 0.000 0.447 236 L N -1.041 119.923 121.223 -0.432 0.000 2.083 236 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 236 L C 2.422 179.241 176.870 -0.086 0.000 1.083 236 L CA 1.457 56.088 54.840 -0.350 0.000 0.752 236 L CB -0.569 41.433 42.059 -0.096 0.000 0.899 236 L HN 0.330 nan 8.230 nan 0.000 0.433 237 L N -1.183 120.056 121.223 0.027 0.000 2.083 237 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 237 L C 2.637 179.630 176.870 0.206 0.000 1.083 237 L CA 0.993 55.913 54.840 0.133 0.000 0.752 237 L CB -0.803 41.355 42.059 0.165 0.000 0.899 237 L HN 0.285 nan 8.230 nan 0.000 0.433 238 H N -1.113 117.973 119.070 0.026 0.000 2.352 238 H HA -0.183 4.372 4.556 -0.000 0.000 0.299 238 H C 2.057 177.505 175.328 0.201 0.000 1.097 238 H CA 1.670 57.785 56.048 0.112 0.000 1.311 238 H CB -0.370 29.434 29.762 0.069 0.000 1.377 238 H HN 0.198 nan 8.280 nan 0.000 0.504 239 Y N 0.251 120.675 120.300 0.206 0.000 2.097 239 Y HA -0.170 4.379 4.550 -0.000 0.000 0.282 239 Y C 2.760 178.715 175.900 0.092 0.000 1.152 239 Y CA 0.828 59.001 58.100 0.121 0.000 1.136 239 Y CB -1.260 37.253 38.460 0.089 0.000 0.975 239 Y HN 0.247 nan 8.280 nan 0.000 0.498 240 A N -0.270 122.709 122.820 0.265 0.000 1.933 240 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 240 A C 2.312 179.964 177.584 0.112 0.000 1.175 240 A CA 1.619 53.749 52.037 0.156 0.000 0.628 240 A CB -1.076 17.997 19.000 0.123 0.000 0.814 240 A HN 0.393 nan 8.150 nan 0.000 0.444 241 L N -0.751 120.540 121.223 0.113 0.000 2.056 241 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 241 L C 2.211 179.121 176.870 0.066 0.000 1.078 241 L CA 1.968 56.849 54.840 0.067 0.000 0.749 241 L CB -0.651 41.435 42.059 0.046 0.000 0.901 241 L HN 0.353 nan 8.230 nan 0.000 0.433 242 L N -0.225 121.061 121.223 0.106 0.000 2.017 242 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 242 L C 2.454 179.361 176.870 0.062 0.000 1.073 242 L CA 2.145 57.040 54.840 0.092 0.000 0.745 242 L CB -0.876 41.260 42.059 0.127 0.000 0.894 242 L HN 0.447 nan 8.230 nan 0.000 0.432 243 E N -0.286 119.956 120.200 0.069 0.000 2.106 243 E HA -0.141 4.208 4.350 -0.000 0.000 0.192 243 E C 2.079 178.696 176.600 0.029 0.000 0.984 243 E CA 1.389 57.816 56.400 0.044 0.000 0.806 243 E CB -0.304 29.426 29.700 0.051 0.000 0.750 243 E HN 0.577 nan 8.360 nan 0.000 0.458 244 A N 0.174 123.012 122.820 0.030 0.000 1.930 244 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 244 A C 2.225 179.804 177.584 -0.008 0.000 1.175 244 A CA 1.108 53.151 52.037 0.009 0.000 0.627 244 A CB -0.579 18.425 19.000 0.007 0.000 0.815 244 A HN 0.329 nan 8.150 nan 0.000 0.443 245 L N -0.500 120.720 121.223 -0.005 0.000 2.056 245 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 245 L C 2.043 178.904 176.870 -0.016 0.000 1.078 245 L CA 1.297 56.124 54.840 -0.022 0.000 0.749 245 L CB -0.554 41.496 42.059 -0.014 0.000 0.901 245 L HN 0.310 nan 8.230 nan 0.000 0.433 246 D N -0.035 120.365 120.400 -0.000 0.000 2.117 246 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 246 D C 2.075 178.371 176.300 -0.006 0.000 0.987 246 D CA 1.087 55.087 54.000 -0.000 0.000 0.829 246 D CB -0.148 40.657 40.800 0.007 0.000 0.961 246 D HN 0.120 nan 8.370 nan 0.000 0.460 247 L N 0.849 122.069 121.223 -0.005 0.000 2.012 247 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 247 L C 2.328 179.188 176.870 -0.016 0.000 1.073 247 L CA 1.360 56.195 54.840 -0.008 0.000 0.748 247 L CB -0.578 41.478 42.059 -0.005 0.000 0.891 247 L HN -0.121 nan 8.230 nan 0.000 0.431 248 V N -0.361 119.537 119.914 -0.027 0.000 2.287 248 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 248 V C 2.565 178.638 176.094 -0.035 0.000 1.053 248 V CA 2.092 64.369 62.300 -0.039 0.000 1.027 248 V CB -0.655 31.131 31.823 -0.062 0.000 0.646 248 V HN 0.440 nan 8.190 nan 0.000 0.447 249 L N -0.316 120.889 121.223 -0.031 0.000 2.191 249 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 249 L C 2.552 179.413 176.870 -0.016 0.000 1.103 249 L CA 1.424 56.250 54.840 -0.024 0.000 0.769 249 L CB -0.618 41.429 42.059 -0.020 0.000 0.908 249 L HN 0.438 nan 8.230 nan 0.000 0.438 250 E N -0.096 120.096 120.200 -0.013 0.000 2.106 250 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 250 E C 1.990 178.585 176.600 -0.009 0.000 0.984 250 E CA 1.177 57.572 56.400 -0.008 0.000 0.806 250 E CB 0.048 29.745 29.700 -0.006 0.000 0.750 250 E HN 0.498 nan 8.360 nan 0.000 0.458 251 E N 0.443 120.636 120.200 -0.012 0.000 2.086 251 E HA 0.000 4.350 4.350 -0.000 0.000 0.190 251 E C 0.456 177.047 176.600 -0.014 0.000 0.975 251 E CA 0.751 57.145 56.400 -0.011 0.000 0.813 251 E CB 0.253 29.946 29.700 -0.013 0.000 0.768 251 E HN 0.157 nan 8.360 nan 0.000 0.457 252 G N -0.242 108.546 108.800 -0.020 0.000 2.879 252 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.686 252 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.686 252 G C 0.384 175.269 174.900 -0.025 0.000 1.115 252 G CA -0.258 44.830 45.100 -0.021 0.000 0.770 252 G HN 0.134 nan 8.290 nan 0.000 0.601 253 V N 2.209 122.105 119.914 -0.030 0.000 2.469 253 V HA -0.152 3.968 4.120 -0.000 0.000 0.251 253 V C 3.285 179.363 176.094 -0.027 0.000 1.064 253 V CA 3.401 65.680 62.300 -0.035 0.000 1.066 253 V CB -1.126 30.678 31.823 -0.032 0.000 0.667 253 V HN 1.676 nan 8.190 nan 0.000 0.461 254 A N 0.098 122.906 122.820 -0.019 0.000 1.865 254 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 254 A C 2.437 180.011 177.584 -0.016 0.000 1.191 254 A CA 2.309 54.337 52.037 -0.016 0.000 0.623 254 A CB -0.874 18.120 19.000 -0.011 0.000 0.826 254 A HN 0.595 nan 8.150 nan 0.000 0.444 255 A N -0.530 122.282 122.820 -0.014 0.000 1.969 255 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 255 A C 2.223 179.800 177.584 -0.012 0.000 1.169 255 A CA 1.465 53.496 52.037 -0.009 0.000 0.635 255 A CB -0.413 18.583 19.000 -0.006 0.000 0.810 255 A HN 0.572 nan 8.150 nan 0.000 0.445 256 R N -0.589 119.898 120.500 -0.021 0.000 2.090 256 R HA -0.098 4.241 4.340 -0.000 0.000 0.228 256 R C 2.244 178.524 176.300 -0.034 0.000 1.110 256 R CA 1.311 57.395 56.100 -0.028 0.000 0.973 256 R CB -0.254 30.021 30.300 -0.040 0.000 0.869 256 R HN 0.805 nan 8.270 nan 0.000 0.440 257 E N 1.390 121.568 120.200 -0.037 0.000 2.106 257 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 257 E C 2.120 178.699 176.600 -0.036 0.000 0.984 257 E CA 1.031 57.404 56.400 -0.046 0.000 0.806 257 E CB 0.047 29.720 29.700 -0.045 0.000 0.750 257 E HN 0.184 nan 8.360 nan 0.000 0.458 258 R N 0.473 120.960 120.500 -0.020 0.000 2.081 258 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 258 R C 2.440 178.745 176.300 0.007 0.000 1.131 258 R CA 1.589 57.685 56.100 -0.006 0.000 0.960 258 R CB -0.085 30.216 30.300 0.002 0.000 0.856 258 R HN 0.093 nan 8.270 nan 0.000 0.436 259 R N 0.058 120.562 120.500 0.007 0.000 2.080 259 R HA -0.147 4.192 4.340 -0.000 0.000 0.236 259 R C 2.421 178.725 176.300 0.007 0.000 1.137 259 R CA 1.804 57.916 56.100 0.021 0.000 0.943 259 R CB -0.494 29.815 30.300 0.015 0.000 0.846 259 R HN 0.322 nan 8.270 nan 0.000 0.431 260 A N 1.155 123.961 122.820 -0.023 0.000 1.858 260 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 260 A C 2.136 179.701 177.584 -0.033 0.000 1.190 260 A CA 1.465 53.474 52.037 -0.046 0.000 0.617 260 A CB -0.477 18.486 19.000 -0.061 0.000 0.827 260 A HN 0.234 nan 8.150 nan 0.000 0.443 261 R N -0.751 119.725 120.500 -0.041 0.000 2.091 261 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 261 R C 2.533 178.848 176.300 0.025 0.000 1.136 261 R CA 1.850 57.923 56.100 -0.045 0.000 0.959 261 R CB -0.554 29.709 30.300 -0.063 0.000 0.856 261 R HN 0.722 nan 8.270 nan 0.000 0.437 262 E N 0.598 120.829 120.200 0.052 0.000 2.031 262 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 262 E C 2.072 178.772 176.600 0.167 0.000 0.994 262 E CA 1.672 58.151 56.400 0.132 0.000 0.800 262 E CB -0.853 28.935 29.700 0.147 0.000 0.752 262 E HN 0.161 nan 8.360 nan 0.000 0.447 263 V N -0.302 119.634 119.914 0.037 0.000 2.427 263 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 263 V C 2.388 178.112 176.094 -0.616 0.000 1.051 263 V CA 1.832 63.928 62.300 -0.340 0.000 1.048 263 V CB -0.685 30.967 31.823 -0.285 0.000 0.666 263 V HN 0.702 nan 8.190 nan 0.000 0.456 264 Y N 1.332 121.375 120.300 -0.430 0.000 2.128 264 Y HA -0.311 4.239 4.550 -0.000 0.000 0.284 264 Y C 2.432 178.147 175.900 -0.309 0.000 1.154 264 Y CA 2.004 59.870 58.100 -0.389 0.000 1.149 264 Y CB -0.397 37.919 38.460 -0.239 0.000 0.976 264 Y HN 0.177 nan 8.280 nan 0.000 0.505 265 A N 1.512 124.410 122.820 0.130 0.000 1.865 265 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 265 A C 2.157 179.790 177.584 0.081 0.000 1.191 265 A CA 2.014 54.137 52.037 0.143 0.000 0.623 265 A CB -1.726 17.368 19.000 0.158 0.000 0.826 265 A HN 0.878 nan 8.150 nan 0.000 0.444 266 W N -0.368 120.937 121.300 0.008 0.000 2.518 266 W HA 0.066 4.726 4.660 -0.000 0.000 0.273 266 W C 1.288 177.792 176.519 -0.024 0.000 1.247 266 W CA 1.080 58.424 57.345 -0.002 0.000 1.288 266 W CB -1.009 28.456 29.460 0.008 0.000 1.107 266 W HN 0.111 nan 8.180 nan 0.000 0.586 267 V N 2.265 121.779 119.914 -0.666 0.000 2.427 267 V HA -0.306 3.813 4.120 -0.000 0.000 0.248 267 V C 2.529 178.450 176.094 -0.287 0.000 1.051 267 V CA 1.875 63.810 62.300 -0.608 0.000 1.048 267 V CB -1.042 30.249 31.823 -0.887 0.000 0.666 267 V HN 0.148 nan 8.190 nan 0.000 0.456 268 L N 0.319 121.363 121.223 -0.299 0.000 2.093 268 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 268 L C 2.326 179.172 176.870 -0.040 0.000 1.085 268 L CA 1.857 56.583 54.840 -0.190 0.000 0.755 268 L CB -0.675 41.275 42.059 -0.181 0.000 0.904 268 L HN 0.383 nan 8.230 nan 0.000 0.435 269 E N -0.803 119.411 120.200 0.024 0.000 2.072 269 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 269 E C 1.984 178.637 176.600 0.089 0.000 0.985 269 E CA 1.081 57.529 56.400 0.080 0.000 0.801 269 E CB -0.084 29.691 29.700 0.124 0.000 0.750 269 E HN 0.484 nan 8.360 nan 0.000 0.452 270 E N 0.672 120.938 120.200 0.109 0.000 2.110 270 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 270 E C 2.206 178.834 176.600 0.047 0.000 0.988 270 E CA 0.752 57.221 56.400 0.115 0.000 0.804 270 E CB -0.050 29.766 29.700 0.193 0.000 0.745 270 E HN 0.317 nan 8.360 nan 0.000 0.458 271 L N 0.379 121.588 121.223 -0.022 0.000 2.179 271 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 271 L C 2.413 179.361 176.870 0.131 0.000 1.096 271 L CA 0.840 55.622 54.840 -0.096 0.000 0.779 271 L CB -0.158 41.732 42.059 -0.282 0.000 0.922 271 L HN -0.019 nan 8.230 nan 0.000 0.443 272 K N 0.112 120.576 120.400 0.106 0.000 2.217 272 K HA -0.055 4.264 4.320 -0.000 0.000 0.202 272 K C 2.164 178.841 176.600 0.128 0.000 1.051 272 K CA 1.024 57.391 56.287 0.134 0.000 0.952 272 K CB -0.070 32.485 32.500 0.092 0.000 0.736 272 K HN 0.253 nan 8.250 nan 0.000 0.453 273 A N 1.298 124.184 122.820 0.111 0.000 2.015 273 A HA -0.118 4.201 4.320 -0.000 0.000 0.219 273 A C 1.666 179.321 177.584 0.118 0.000 1.163 273 A CA 1.081 53.176 52.037 0.098 0.000 0.646 273 A CB -0.159 18.892 19.000 0.085 0.000 0.806 273 A HN 0.195 nan 8.150 nan 0.000 0.448 274 R N -1.400 119.207 120.500 0.177 0.000 2.426 274 R HA 0.275 4.615 4.340 -0.000 0.000 0.263 274 R C 1.181 177.639 176.300 0.264 0.000 0.961 274 R CA 0.483 56.725 56.100 0.235 0.000 1.086 274 R CB 0.008 30.497 30.300 0.315 0.000 1.186 274 R HN 0.623 nan 8.270 nan 0.000 0.537 275 G N 0.540 109.458 108.800 0.197 0.000 2.225 275 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.254 275 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.254 275 G C 0.233 175.188 174.900 0.092 0.000 0.988 275 G CA -0.316 44.843 45.100 0.098 0.000 0.625 275 G HN 0.258 nan 8.290 nan 0.000 0.527 276 F N 1.054 121.026 119.950 0.037 0.000 2.485 276 F HA 0.575 5.102 4.527 -0.000 0.000 0.327 276 F C 1.111 176.936 175.800 0.042 0.000 1.203 276 F CA 0.769 58.795 58.000 0.044 0.000 1.295 276 F CB 0.509 39.539 39.000 0.050 0.000 1.191 276 F HN 0.487 nan 8.300 nan 0.000 0.588 277 R N 2.092 122.734 120.500 0.236 0.000 2.621 277 R HA 0.537 4.877 4.340 -0.000 0.000 0.284 277 R C -3.161 173.236 176.300 0.162 0.000 0.998 277 R CA -2.205 53.987 56.100 0.154 0.000 0.895 277 R CB 0.564 30.924 30.300 0.100 0.000 1.195 277 R HN 0.444 nan 8.270 nan 0.000 0.450 278 P HA 0.021 nan 4.420 nan 0.000 0.268 278 P C -0.345 177.047 177.300 0.155 0.000 1.205 278 P CA 0.103 63.281 63.100 0.130 0.000 0.771 278 P CB 0.710 32.473 31.700 0.105 0.000 0.858 279 Y N 5.247 125.591 120.300 0.073 0.000 2.231 279 Y HA 0.102 4.652 4.550 -0.000 0.000 0.294 279 Y C -1.175 174.765 175.900 0.068 0.000 1.120 279 Y CA 0.521 58.662 58.100 0.069 0.000 1.141 279 Y CB -1.602 36.899 38.460 0.069 0.000 1.022 279 Y HN 0.279 nan 8.280 nan 0.000 0.523 280 P HA 0.095 nan 4.420 nan 0.000 0.264 280 P C -0.044 177.228 177.300 -0.047 0.000 1.193 280 P CA 0.763 63.871 63.100 0.013 0.000 0.763 280 P CB 1.274 33.045 31.700 0.118 0.000 0.810 281 K N 1.234 121.579 120.400 -0.091 0.000 2.305 281 K HA 0.417 4.737 4.320 -0.000 0.000 0.199 281 K C 1.008 177.596 176.600 -0.021 0.000 1.047 281 K CA 1.280 57.529 56.287 -0.063 0.000 0.976 281 K CB -0.032 32.422 32.500 -0.076 0.000 0.765 281 K HN 0.899 nan 8.250 nan 0.000 0.474 282 A N -2.191 120.623 122.820 -0.011 0.000 2.567 282 A HA 0.577 4.897 4.320 -0.000 0.000 0.291 282 A C 0.366 177.947 177.584 -0.004 0.000 1.048 282 A CA 0.413 52.447 52.037 -0.005 0.000 0.661 282 A CB 0.286 19.281 19.000 -0.009 0.000 1.288 282 A HN 1.320 nan 8.150 nan 0.000 0.424 283 S N 0.390 116.081 115.700 -0.015 0.000 3.711 283 S HA -0.090 4.380 4.470 -0.000 0.000 0.374 283 S C -1.773 172.813 174.600 -0.024 0.000 0.969 283 S CA 0.542 58.728 58.200 -0.024 0.000 1.198 283 S CB -1.095 62.094 63.200 -0.018 0.000 0.903 283 S HN 0.918 nan 8.310 nan 0.000 0.493 284 P HA 0.219 nan 4.420 nan 0.000 0.269 284 P C -0.106 177.118 177.300 -0.127 0.000 1.209 284 P CA -0.539 62.534 63.100 -0.045 0.000 0.776 284 P CB 0.616 32.286 31.700 -0.049 0.000 0.876 285 L N 6.106 127.291 121.223 -0.063 0.000 2.283 285 L HA 0.311 4.650 4.340 -0.000 0.000 0.287 285 L C -1.776 174.992 176.870 -0.170 0.000 1.073 285 L CA -2.299 52.487 54.840 -0.090 0.000 0.822 285 L CB 0.529 42.580 42.059 -0.013 0.000 1.186 285 L HN 0.186 nan 8.230 nan 0.000 0.436 286 P HA -0.133 nan 4.420 nan 0.000 0.219 286 P C 1.112 178.366 177.300 -0.076 0.000 1.146 286 P CA 1.607 64.505 63.100 -0.338 0.000 0.808 286 P CB 0.067 31.609 31.700 -0.263 0.000 0.779 287 T N -5.013 109.499 114.554 -0.070 0.000 3.081 287 T HA 0.129 4.479 4.350 -0.000 0.000 0.255 287 T C 0.494 175.183 174.700 -0.019 0.000 1.113 287 T CA 0.152 62.220 62.100 -0.052 0.000 1.082 287 T CB -0.390 68.420 68.868 -0.096 0.000 0.939 287 T HN -0.176 nan 8.240 nan 0.000 0.506 288 V N 2.093 122.029 119.914 0.037 0.000 2.532 288 V HA 0.479 4.599 4.120 -0.000 0.000 0.294 288 V C -1.020 175.133 176.094 0.098 0.000 1.036 288 V CA -1.202 61.118 62.300 0.032 0.000 0.876 288 V CB 1.667 33.502 31.823 0.019 0.000 1.012 288 V HN 0.337 nan 8.190 nan 0.000 0.432 289 L N 7.051 128.252 121.223 -0.036 0.000 2.261 289 L HA 0.623 4.963 4.340 -0.000 0.000 0.289 289 L C -0.376 176.441 176.870 -0.089 0.000 1.059 289 L CA 0.292 55.029 54.840 -0.171 0.000 0.816 289 L CB 1.210 42.926 42.059 -0.571 0.000 1.191 289 L HN 0.452 nan 8.230 nan 0.000 0.431 290 V N 6.396 126.320 119.914 0.017 0.000 2.370 290 V HA 0.653 4.773 4.120 -0.000 0.000 0.283 290 V C -0.206 175.952 176.094 0.107 0.000 1.023 290 V CA -0.422 61.909 62.300 0.052 0.000 0.857 290 V CB 1.576 33.447 31.823 0.080 0.000 0.985 290 V HN 0.646 nan 8.190 nan 0.000 0.443 291 V N 2.821 122.802 119.914 0.112 0.000 3.007 291 V HA 0.701 4.821 4.120 -0.000 0.000 0.311 291 V C -0.539 175.699 176.094 0.240 0.000 1.120 291 V CA -1.256 61.160 62.300 0.194 0.000 0.980 291 V CB 2.226 34.166 31.823 0.195 0.000 1.033 291 V HN 0.784 nan 8.190 nan 0.000 0.429 292 R N 3.187 123.834 120.500 0.245 0.000 2.297 292 R HA 0.511 4.851 4.340 -0.000 0.000 0.308 292 R C -2.500 173.864 176.300 0.107 0.000 1.029 292 R CA -1.693 54.509 56.100 0.170 0.000 0.929 292 R CB 1.514 31.906 30.300 0.153 0.000 1.046 292 R HN 0.622 nan 8.270 nan 0.000 0.461 293 P HA 0.139 nan 4.420 nan 0.000 0.274 293 P C -2.509 174.485 177.300 -0.511 0.000 1.260 293 P CA -1.426 61.355 63.100 -0.532 0.000 0.793 293 P CB -0.211 31.307 31.700 -0.303 0.000 1.048 294 P HA 0.114 nan 4.420 nan 0.000 0.270 294 P C 0.057 177.237 177.300 -0.200 0.000 1.223 294 P CA 0.459 63.343 63.100 -0.360 0.000 0.785 294 P CB -0.314 31.181 31.700 -0.341 0.000 0.923 295 E N 0.744 120.876 120.200 -0.113 0.000 2.452 295 E HA 0.335 4.685 4.350 -0.000 0.000 0.261 295 E C 1.388 177.947 176.600 -0.068 0.000 0.987 295 E CA 0.246 56.604 56.400 -0.069 0.000 0.926 295 E CB -1.215 28.461 29.700 -0.040 0.000 0.934 295 E HN 0.897 nan 8.360 nan 0.000 0.452 296 G N 0.357 109.126 108.800 -0.052 0.000 2.179 296 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 296 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 296 G C 0.447 175.317 174.900 -0.050 0.000 0.977 296 G CA 0.309 45.384 45.100 -0.042 0.000 0.641 296 G HN 1.401 nan 8.290 nan 0.000 0.533 297 V N 1.211 121.078 119.914 -0.078 0.000 2.370 297 V HA 0.470 4.590 4.120 -0.000 0.000 0.283 297 V C 0.106 176.165 176.094 -0.058 0.000 1.023 297 V CA -0.419 61.833 62.300 -0.079 0.000 0.857 297 V CB 1.642 33.379 31.823 -0.143 0.000 0.985 297 V HN 0.374 nan 8.190 nan 0.000 0.443 298 D N 4.172 124.556 120.400 -0.027 0.000 2.339 298 D HA 0.415 5.054 4.640 -0.000 0.000 0.256 298 D C 1.073 177.376 176.300 0.005 0.000 1.214 298 D CA 0.476 54.470 54.000 -0.010 0.000 0.877 298 D CB 1.781 42.580 40.800 -0.002 0.000 1.111 298 D HN 0.601 nan 8.370 nan 0.000 0.478 299 A N 4.229 127.056 122.820 0.012 0.000 1.873 299 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 299 A C 1.833 179.446 177.584 0.049 0.000 1.193 299 A CA 1.647 53.709 52.037 0.042 0.000 0.629 299 A CB -0.479 18.545 19.000 0.040 0.000 0.826 299 A HN 0.711 nan 8.150 nan 0.000 0.447 300 D N -0.597 119.821 120.400 0.030 0.000 2.123 300 D HA -0.129 4.510 4.640 -0.000 0.000 0.196 300 D C 2.478 178.797 176.300 0.031 0.000 0.992 300 D CA 2.081 56.097 54.000 0.027 0.000 0.833 300 D CB -0.451 40.356 40.800 0.011 0.000 0.954 300 D HN 0.507 nan 8.370 nan 0.000 0.455 301 R N 0.770 121.286 120.500 0.027 0.000 2.096 301 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 301 R C 2.219 178.547 176.300 0.046 0.000 1.127 301 R CA 1.264 57.381 56.100 0.028 0.000 0.968 301 R CB -1.483 28.828 30.300 0.018 0.000 0.861 301 R HN 0.228 nan 8.270 nan 0.000 0.440 302 L N 0.381 121.639 121.223 0.058 0.000 2.141 302 L HA -0.009 4.330 4.340 -0.000 0.000 0.209 302 L C 2.386 179.320 176.870 0.107 0.000 1.094 302 L CA 1.429 56.321 54.840 0.087 0.000 0.763 302 L CB -0.194 41.935 42.059 0.117 0.000 0.908 302 L HN 0.181 nan 8.230 nan 0.000 0.437 303 V N 0.211 120.186 119.914 0.101 0.000 2.358 303 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 303 V C 3.196 179.359 176.094 0.115 0.000 1.047 303 V CA 2.246 64.613 62.300 0.111 0.000 1.035 303 V CB -1.206 30.666 31.823 0.082 0.000 0.658 303 V HN 0.596 nan 8.190 nan 0.000 0.452 304 R N 0.168 120.715 120.500 0.079 0.000 2.081 304 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 304 R C 2.313 178.688 176.300 0.126 0.000 1.131 304 R CA 2.040 58.187 56.100 0.079 0.000 0.960 304 R CB -1.491 28.829 30.300 0.033 0.000 0.856 304 R HN 0.627 nan 8.270 nan 0.000 0.436 305 A N 0.848 123.725 122.820 0.095 0.000 1.902 305 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 305 A C 2.492 180.130 177.584 0.089 0.000 1.181 305 A CA 1.402 53.488 52.037 0.082 0.000 0.623 305 A CB -0.308 18.726 19.000 0.057 0.000 0.818 305 A HN 0.461 nan 8.150 nan 0.000 0.443 306 L N -2.193 119.093 121.223 0.105 0.000 2.083 306 L HA -0.196 4.143 4.340 -0.000 0.000 0.209 306 L C 2.566 179.499 176.870 0.105 0.000 1.083 306 L CA 1.724 56.621 54.840 0.094 0.000 0.752 306 L CB -0.604 41.538 42.059 0.138 0.000 0.899 306 L HN 0.603 nan 8.230 nan 0.000 0.433 307 Y N 0.753 121.072 120.300 0.032 0.000 2.145 307 Y HA -0.297 4.252 4.550 -0.000 0.000 0.286 307 Y C 2.505 178.414 175.900 0.015 0.000 1.145 307 Y CA 1.494 59.608 58.100 0.024 0.000 1.148 307 Y CB -0.233 38.241 38.460 0.023 0.000 0.981 307 Y HN 0.107 nan 8.280 nan 0.000 0.507 308 A N -0.053 122.860 122.820 0.155 0.000 2.019 308 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 308 A C 1.788 179.356 177.584 -0.028 0.000 1.164 308 A CA 1.739 53.815 52.037 0.064 0.000 0.644 308 A CB -0.450 18.608 19.000 0.096 0.000 0.805 308 A HN 0.509 nan 8.150 nan 0.000 0.449 309 E N -1.199 118.985 120.200 -0.026 0.000 2.476 309 E HA 0.205 4.555 4.350 -0.000 0.000 0.191 309 E C 1.181 177.735 176.600 -0.077 0.000 1.064 309 E CA 0.629 57.003 56.400 -0.043 0.000 0.866 309 E CB -0.197 29.485 29.700 -0.031 0.000 0.952 309 E HN 0.783 nan 8.360 nan 0.000 0.492 310 G N 0.262 108.979 108.800 -0.140 0.000 2.157 310 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.239 310 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.239 310 G C 0.161 174.982 174.900 -0.132 0.000 0.982 310 G CA 0.249 45.251 45.100 -0.164 0.000 0.650 310 G HN 0.148 nan 8.290 nan 0.000 0.527 311 V N 0.517 120.380 119.914 -0.085 0.000 2.531 311 V HA 0.822 4.941 4.120 -0.000 0.000 0.301 311 V C 0.328 176.449 176.094 0.044 0.000 1.034 311 V CA -0.361 61.931 62.300 -0.014 0.000 0.865 311 V CB 1.766 33.625 31.823 0.060 0.000 0.995 311 V HN 1.209 nan 8.190 nan 0.000 0.424 312 A N 5.029 127.878 122.820 0.048 0.000 2.260 312 A HA 0.881 5.201 4.320 -0.000 0.000 0.314 312 A C -0.292 177.337 177.584 0.074 0.000 1.257 312 A CA -0.396 51.716 52.037 0.126 0.000 0.871 312 A CB 1.094 20.187 19.000 0.155 0.000 1.166 312 A HN 1.334 nan 8.150 nan 0.000 0.522 313 V N -0.772 119.198 119.914 0.094 0.000 3.164 313 V HA 1.006 5.126 4.120 -0.000 0.000 0.313 313 V C 0.155 176.285 176.094 0.059 0.000 1.188 313 V CA -0.549 61.778 62.300 0.045 0.000 1.058 313 V CB 1.271 33.128 31.823 0.057 0.000 1.110 313 V HN 1.559 nan 8.190 nan 0.000 0.453 314 A N -0.173 122.671 122.820 0.039 0.000 2.337 314 A HA 0.968 5.287 4.320 -0.000 0.000 0.331 314 A C 0.316 177.926 177.584 0.044 0.000 1.137 314 A CA -0.094 51.968 52.037 0.042 0.000 0.807 314 A CB 1.074 20.097 19.000 0.038 0.000 1.250 314 A HN 1.861 nan 8.150 nan 0.000 0.468 315 G N -0.280 108.542 108.800 0.037 0.000 2.532 315 G HA2 0.524 4.483 3.960 -0.000 0.000 0.291 315 G HA3 0.524 4.483 3.960 -0.000 0.000 0.291 315 G C 0.515 175.422 174.900 0.011 0.000 1.349 315 G CA -0.085 45.033 45.100 0.030 0.000 1.038 315 G HN 1.172 nan 8.290 nan 0.000 0.518 316 G N -1.672 107.121 108.800 -0.011 0.000 2.651 316 G HA2 0.466 4.426 3.960 -0.000 0.000 0.260 316 G HA3 0.466 4.426 3.960 -0.000 0.000 0.260 316 G C -0.773 174.111 174.900 -0.026 0.000 1.216 316 G CA -0.342 44.732 45.100 -0.042 0.000 0.913 316 G HN 0.728 nan 8.290 nan 0.000 0.535 317 I N -1.289 119.256 120.570 -0.041 0.000 2.841 317 I HA 0.524 4.694 4.170 -0.000 0.000 0.298 317 I C 0.847 176.910 176.117 -0.089 0.000 1.304 317 I CA 0.525 61.797 61.300 -0.047 0.000 1.019 317 I CB 1.675 39.667 38.000 -0.012 0.000 1.282 317 I HN 1.232 nan 8.210 nan 0.000 0.432 318 G N 7.109 115.847 108.800 -0.103 0.000 2.596 318 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.304 318 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.304 318 G C -1.553 173.311 174.900 -0.061 0.000 1.189 318 G CA 0.388 45.426 45.100 -0.105 0.000 0.986 318 G HN 0.546 nan 8.290 nan 0.000 0.548 319 P HA -0.031 nan 4.420 nan 0.000 0.220 319 P C 1.517 178.801 177.300 -0.028 0.000 1.148 319 P CA 2.949 66.045 63.100 -0.007 0.000 0.803 319 P CB -0.359 31.364 31.700 0.038 0.000 0.782 320 T N -4.780 109.718 114.554 -0.093 0.000 3.145 320 T HA 0.307 4.656 4.350 -0.000 0.000 0.255 320 T C 1.017 175.656 174.700 -0.102 0.000 1.039 320 T CA -0.398 61.602 62.100 -0.166 0.000 0.928 320 T CB -0.906 67.740 68.868 -0.369 0.000 1.029 320 T HN 0.092 nan 8.240 nan 0.000 0.554 321 R N 0.687 121.150 120.500 -0.061 0.000 2.537 321 R HA 0.498 4.838 4.340 -0.000 0.000 0.281 321 R C 1.752 178.035 176.300 -0.027 0.000 0.988 321 R CA 0.476 56.553 56.100 -0.039 0.000 1.077 321 R CB -1.749 28.532 30.300 -0.031 0.000 0.932 321 R HN 1.350 nan 8.270 nan 0.000 0.409 322 G N 0.733 109.522 108.800 -0.018 0.000 2.189 322 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 322 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 322 G C 0.947 175.845 174.900 -0.005 0.000 0.975 322 G CA 0.970 46.065 45.100 -0.007 0.000 0.644 322 G HN 0.790 nan 8.290 nan 0.000 0.537 323 Q N -0.826 118.963 119.800 -0.018 0.000 2.350 323 Q HA 0.471 4.811 4.340 -0.000 0.000 0.225 323 Q C 1.114 177.112 176.000 -0.003 0.000 0.878 323 Q CA 0.945 56.744 55.803 -0.007 0.000 0.935 323 Q CB 1.220 29.954 28.738 -0.007 0.000 1.099 323 Q HN 1.061 nan 8.270 nan 0.000 0.527 324 V N -3.171 116.730 119.914 -0.022 0.000 3.103 324 V HA 0.607 4.727 4.120 -0.000 0.000 0.311 324 V C -1.672 174.452 176.094 0.051 0.000 1.322 324 V CA -1.274 61.032 62.300 0.011 0.000 1.063 324 V CB 1.782 33.560 31.823 -0.074 0.000 1.090 324 V HN -0.096 nan 8.190 nan 0.000 0.462 325 L N 1.527 122.805 121.223 0.092 0.000 2.356 325 L HA 0.696 5.036 4.340 -0.000 0.000 0.277 325 L C -0.068 176.830 176.870 0.047 0.000 0.996 325 L CA -0.293 54.610 54.840 0.106 0.000 0.822 325 L CB 1.633 43.812 42.059 0.202 0.000 1.256 325 L HN 0.724 nan 8.230 nan 0.000 0.413 326 R N 5.292 125.804 120.500 0.020 0.000 2.310 326 R HA 0.643 4.983 4.340 -0.000 0.000 0.324 326 R C -1.322 174.959 176.300 -0.033 0.000 0.955 326 R CA -0.680 55.418 56.100 -0.005 0.000 0.830 326 R CB 1.252 31.557 30.300 0.010 0.000 1.154 326 R HN 0.483 nan 8.270 nan 0.000 0.458 327 L N 1.997 123.174 121.223 -0.076 0.000 2.296 327 L HA 0.467 4.806 4.340 -0.000 0.000 0.286 327 L C 0.896 177.729 176.870 -0.062 0.000 1.023 327 L CA -0.898 53.877 54.840 -0.108 0.000 0.812 327 L CB 1.794 43.729 42.059 -0.207 0.000 1.223 327 L HN 0.663 nan 8.230 nan 0.000 0.421 328 G N 3.673 112.465 108.800 -0.014 0.000 2.380 328 G HA2 0.479 4.439 3.960 -0.000 0.000 0.262 328 G HA3 0.479 4.439 3.960 -0.000 0.000 0.262 328 G C 0.035 174.942 174.900 0.013 0.000 1.243 328 G CA -0.305 44.790 45.100 -0.007 0.000 0.865 328 G HN 0.634 nan 8.290 nan 0.000 0.513 329 L N 2.695 123.892 121.223 -0.045 0.000 3.291 329 L HA 0.322 4.662 4.340 -0.000 0.000 0.307 329 L C 0.224 177.063 176.870 -0.052 0.000 1.303 329 L CA -0.091 54.706 54.840 -0.072 0.000 0.949 329 L CB 0.113 42.085 42.059 -0.145 0.000 1.375 329 L HN 0.415 nan 8.230 nan 0.000 0.596 330 M N -0.216 119.360 119.600 -0.040 0.000 2.268 330 M HA 0.542 5.021 4.480 -0.000 0.000 0.344 330 M C 1.233 177.510 176.300 -0.038 0.000 1.106 330 M CA 0.093 55.360 55.300 -0.055 0.000 1.010 330 M CB 1.771 34.329 32.600 -0.069 0.000 1.649 330 M HN 0.249 nan 8.290 nan 0.000 0.443 331 G N 1.824 110.597 108.800 -0.045 0.000 2.629 331 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.313 331 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.313 331 G C 0.652 175.547 174.900 -0.009 0.000 1.217 331 G CA 0.248 45.329 45.100 -0.032 0.000 0.994 331 G HN 0.704 nan 8.290 nan 0.000 0.549 332 E N 2.075 122.275 120.200 -0.000 0.000 2.478 332 E HA 0.028 4.377 4.350 -0.000 0.000 0.198 332 E C 2.512 179.135 176.600 0.037 0.000 1.046 332 E CA 1.199 57.609 56.400 0.017 0.000 0.870 332 E CB -0.651 29.056 29.700 0.012 0.000 0.818 332 E HN 0.635 nan 8.360 nan 0.000 0.527 333 G N 1.417 110.240 108.800 0.037 0.000 2.408 333 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 333 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 333 G C 1.074 176.067 174.900 0.155 0.000 1.150 333 G CA 0.510 45.663 45.100 0.087 0.000 0.776 333 G HN 0.298 nan 8.290 nan 0.000 0.542 334 A N 1.092 123.949 122.820 0.062 0.000 3.026 334 A HA 0.537 4.857 4.320 -0.000 0.000 0.272 334 A C 0.210 177.839 177.584 0.075 0.000 1.782 334 A CA -0.136 51.916 52.037 0.025 0.000 1.451 334 A CB -0.218 18.770 19.000 -0.020 0.000 1.081 334 A HN 0.149 nan 8.150 nan 0.000 0.611 335 R N 0.420 121.014 120.500 0.157 0.000 2.574 335 R HA 0.297 4.637 4.340 -0.000 0.000 0.288 335 R C 0.852 177.318 176.300 0.276 0.000 1.004 335 R CA -0.725 55.477 56.100 0.171 0.000 0.895 335 R CB 1.241 31.618 30.300 0.128 0.000 1.191 335 R HN 0.754 nan 8.270 nan 0.000 0.444 336 R N 2.355 123.030 120.500 0.290 0.000 2.094 336 R HA -0.252 4.088 4.340 -0.000 0.000 0.239 336 R C 1.919 178.443 176.300 0.373 0.000 1.137 336 R CA 2.779 59.143 56.100 0.440 0.000 0.943 336 R CB -0.053 30.407 30.300 0.267 0.000 0.850 336 R HN 0.786 nan 8.270 nan 0.000 0.433 337 E N 0.314 120.640 120.200 0.211 0.000 2.085 337 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 337 E C 1.897 178.585 176.600 0.146 0.000 0.994 337 E CA 1.595 58.084 56.400 0.149 0.000 0.801 337 E CB -0.885 28.867 29.700 0.087 0.000 0.743 337 E HN 0.701 nan 8.360 nan 0.000 0.453 338 A N -0.642 122.261 122.820 0.138 0.000 1.877 338 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 338 A C 2.271 179.827 177.584 -0.047 0.000 1.186 338 A CA 1.663 53.719 52.037 0.032 0.000 0.620 338 A CB -0.623 18.384 19.000 0.012 0.000 0.822 338 A HN 0.591 nan 8.150 nan 0.000 0.443 339 Y N 0.134 120.517 120.300 0.139 0.000 2.516 339 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 339 Y C 2.629 178.734 175.900 0.341 0.000 1.131 339 Y CA 1.330 59.531 58.100 0.168 0.000 1.281 339 Y CB -0.122 38.275 38.460 -0.106 0.000 1.013 339 Y HN 0.446 nan 8.280 nan 0.000 0.554 340 Q N -0.748 119.308 119.800 0.427 0.000 2.123 340 Q HA -0.101 4.239 4.340 -0.000 0.000 0.199 340 Q C 2.526 178.625 176.000 0.164 0.000 0.966 340 Q CA 1.080 57.080 55.803 0.328 0.000 0.845 340 Q CB -0.200 28.666 28.738 0.214 0.000 0.907 340 Q HN 0.484 nan 8.270 nan 0.000 0.439 341 A N 0.727 123.615 122.820 0.112 0.000 1.930 341 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 341 A C 1.856 179.455 177.584 0.026 0.000 1.175 341 A CA 1.012 53.075 52.037 0.044 0.000 0.627 341 A CB -0.733 18.279 19.000 0.019 0.000 0.815 341 A HN 0.472 nan 8.150 nan 0.000 0.443 342 F N 0.848 120.719 119.950 -0.131 0.000 2.126 342 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 342 F C 1.777 177.529 175.800 -0.080 0.000 1.096 342 F CA 1.765 59.658 58.000 -0.178 0.000 1.255 342 F CB -0.359 38.403 39.000 -0.396 0.000 0.997 342 F HN 0.138 nan 8.300 nan 0.000 0.479 343 L N 0.482 121.573 121.223 -0.219 0.000 2.141 343 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 343 L C 2.876 179.620 176.870 -0.209 0.000 1.094 343 L CA 1.609 56.278 54.840 -0.285 0.000 0.763 343 L CB -1.312 40.761 42.059 0.023 0.000 0.908 343 L HN 0.267 nan 8.230 nan 0.000 0.437 344 K N 0.384 120.716 120.400 -0.113 0.000 2.057 344 K HA -0.008 4.311 4.320 -0.000 0.000 0.206 344 K C 2.222 178.754 176.600 -0.114 0.000 1.050 344 K CA 1.358 57.597 56.287 -0.080 0.000 0.935 344 K CB -1.141 31.337 32.500 -0.038 0.000 0.715 344 K HN 0.394 nan 8.250 nan 0.000 0.439 345 A N 0.618 123.349 122.820 -0.149 0.000 1.898 345 A HA 0.076 4.395 4.320 -0.000 0.000 0.216 345 A C 2.391 179.866 177.584 -0.182 0.000 1.181 345 A CA 1.652 53.607 52.037 -0.138 0.000 0.620 345 A CB -0.437 18.495 19.000 -0.113 0.000 0.819 345 A HN 0.521 nan 8.150 nan 0.000 0.442 346 L N 0.284 121.295 121.223 -0.352 0.000 2.012 346 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 346 L C 1.666 178.451 176.870 -0.142 0.000 1.073 346 L CA 2.566 57.208 54.840 -0.331 0.000 0.748 346 L CB -0.700 40.984 42.059 -0.625 0.000 0.891 346 L HN 0.354 nan 8.230 nan 0.000 0.431 347 D N -0.628 119.695 120.400 -0.127 0.000 2.117 347 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 347 D C 2.307 178.587 176.300 -0.034 0.000 0.987 347 D CA 1.159 55.127 54.000 -0.053 0.000 0.829 347 D CB -0.119 40.655 40.800 -0.043 0.000 0.961 347 D HN 0.407 nan 8.370 nan 0.000 0.460 348 R N 0.654 121.127 120.500 -0.046 0.000 2.081 348 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 348 R C 2.303 178.593 176.300 -0.016 0.000 1.131 348 R CA 1.222 57.305 56.100 -0.028 0.000 0.960 348 R CB -0.310 29.971 30.300 -0.032 0.000 0.856 348 R HN 0.101 nan 8.270 nan 0.000 0.436 349 A N 1.247 124.055 122.820 -0.020 0.000 1.933 349 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 349 A C 2.175 179.769 177.584 0.017 0.000 1.175 349 A CA 1.093 53.132 52.037 0.003 0.000 0.628 349 A CB -0.425 18.580 19.000 0.008 0.000 0.814 349 A HN 0.171 nan 8.150 nan 0.000 0.444 350 L N -0.993 120.241 121.223 0.019 0.000 2.217 350 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 350 L C 2.920 179.800 176.870 0.016 0.000 1.107 350 L CA 0.726 55.584 54.840 0.030 0.000 0.783 350 L CB -0.443 41.647 42.059 0.053 0.000 0.919 350 L HN 0.416 nan 8.230 nan 0.000 0.442 351 A N 0.034 122.859 122.820 0.009 0.000 2.067 351 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 351 A C 1.367 178.954 177.584 0.005 0.000 1.158 351 A CA 0.691 52.732 52.037 0.006 0.000 0.661 351 A CB -0.379 18.622 19.000 0.002 0.000 0.801 351 A HN 0.245 nan 8.150 nan 0.000 0.452 352 L N 0.000 121.227 121.223 0.007 0.000 2.949 352 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 352 L CA 0.000 54.844 54.840 0.008 0.000 0.813 352 L CB 0.000 42.065 42.059 0.011 0.000 0.961 352 L HN 0.000 nan 8.230 nan 0.000 0.502