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 2prh_1_A DATA FIRST_RESID 30 DATA SEQUENCE MATGDERFYA EHLMPTLQGL LDPESAHRLA VRFTSLGLLP RARFQDSDML DATA SEQUENCE EVRVLGHKFR NPVGIAAGFD KHGEAVDGLY KMGFGFVEIG SVTPKPQEGN DATA SEQUENCE PRPRVFRLPE DQAVINRYGF NSHGLSVVEH RLRARQQKQA KLTEDGLPLG DATA SEQUENCE VNLGKNKTSV DAAEDYAEGV RVLGPLADYL VVNVSSPXXX XXXXXXGKAE DATA SEQUENCE LRRLLTKVLQ ERDGLRRVHR PAVLVKIAPD LTSQDKEDIA SVVKELGIDG DATA SEQUENCE LIVTNTTVSR PAGLQGALRS ETGGLSGKPL RDLSTQTIRE MYALTQGRVP DATA SEQUENCE IIGVGGVSSG QDALEKIRAG ASLVQLYTAL TFWGPPVVGK VKRELEALLK DATA SEQUENCE EQGFGGVTDA IGADHRR 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 30 M HA 0.000 nan 4.480 nan 0.000 0.227 30 M C 0.000 176.368 176.300 0.113 0.000 1.140 30 M CA 0.000 55.360 55.300 0.100 0.000 0.988 30 M CB 0.000 32.656 32.600 0.093 0.000 1.302 31 A N 0.158 123.035 122.820 0.095 0.000 6.082 31 A HA -0.164 4.157 4.320 0.001 0.000 0.269 31 A C -0.115 177.541 177.584 0.120 0.000 2.078 31 A CA 1.305 53.384 52.037 0.070 0.000 0.711 31 A CB -2.357 16.630 19.000 -0.021 0.000 1.114 31 A HN 0.744 nan 8.150 nan 0.000 0.371 32 T N 0.159 114.749 114.554 0.060 0.000 2.929 32 T HA 0.703 5.053 4.350 0.001 0.000 0.284 32 T C 0.533 175.334 174.700 0.169 0.000 1.014 32 T CA 0.328 62.529 62.100 0.170 0.000 1.051 32 T CB 1.698 70.620 68.868 0.090 0.000 1.028 32 T HN 2.021 nan 8.240 nan 0.000 0.485 33 G N -0.322 108.716 108.800 0.398 0.000 2.921 33 G HA2 0.610 4.570 3.960 0.001 0.000 0.291 33 G HA3 0.610 4.570 3.960 0.001 0.000 0.291 33 G C -1.459 173.529 174.900 0.147 0.000 1.370 33 G CA -0.624 44.684 45.100 0.347 0.000 0.847 33 G HN 0.818 nan 8.290 nan 0.000 0.532 34 D N -1.545 118.920 120.400 0.108 0.000 4.419 34 D HA -0.124 4.517 4.640 0.001 0.000 0.222 34 D C 0.848 177.295 176.300 0.245 0.000 1.438 34 D CA 0.518 54.627 54.000 0.182 0.000 1.016 34 D CB -0.391 40.540 40.800 0.219 0.000 0.451 34 D HN 0.499 nan 8.370 nan 0.000 0.205 35 E N 2.165 122.445 120.200 0.134 0.000 2.077 35 E HA -0.166 4.185 4.350 0.001 0.000 0.193 35 E C 1.855 178.560 176.600 0.175 0.000 0.989 35 E CA 0.830 57.297 56.400 0.112 0.000 0.800 35 E CB 0.113 29.826 29.700 0.021 0.000 0.746 35 E HN 0.453 nan 8.360 nan 0.000 0.452 36 R N -0.082 120.517 120.500 0.165 0.000 2.081 36 R HA -0.122 4.219 4.340 0.001 0.000 0.235 36 R C 2.265 178.715 176.300 0.250 0.000 1.131 36 R CA 1.224 57.419 56.100 0.158 0.000 0.960 36 R CB -0.374 30.004 30.300 0.131 0.000 0.856 36 R HN 0.171 nan 8.270 nan 0.000 0.436 37 F N 0.329 120.408 119.950 0.216 0.000 2.171 37 F HA -0.219 4.309 4.527 0.001 0.000 0.300 37 F C 1.674 177.612 175.800 0.230 0.000 1.090 37 F CA 1.343 59.492 58.000 0.248 0.000 1.293 37 F CB -0.191 38.928 39.000 0.197 0.000 1.013 37 F HN -0.065 nan 8.300 nan 0.000 0.486 38 Y N -0.059 120.317 120.300 0.128 0.000 2.184 38 Y HA -0.043 4.507 4.550 0.000 0.000 0.290 38 Y C 2.585 178.514 175.900 0.048 0.000 1.129 38 Y CA 1.452 59.580 58.100 0.046 0.000 1.144 38 Y CB -1.167 37.382 38.460 0.148 0.000 0.995 38 Y HN 0.113 nan 8.280 nan 0.000 0.513 39 A N -0.196 122.803 122.820 0.299 0.000 1.897 39 A HA -0.133 4.188 4.320 0.001 0.000 0.215 39 A C 1.937 179.639 177.584 0.197 0.000 1.181 39 A CA 1.742 54.008 52.037 0.381 0.000 0.620 39 A CB -0.437 18.757 19.000 0.324 0.000 0.821 39 A HN 0.497 nan 8.150 nan 0.000 0.443 40 E N -2.066 118.137 120.200 0.005 0.000 2.318 40 E HA 0.007 4.357 4.350 0.001 0.000 0.193 40 E C 1.328 177.651 176.600 -0.461 0.000 0.998 40 E CA 0.593 56.868 56.400 -0.210 0.000 0.859 40 E CB 0.097 29.624 29.700 -0.289 0.000 0.812 40 E HN 0.701 nan 8.360 nan 0.000 0.492 41 H N -0.798 118.137 119.070 -0.225 0.000 2.074 41 H HA 0.137 4.694 4.556 0.001 0.000 0.198 41 H C 1.972 177.032 175.328 -0.447 0.000 0.938 41 H CA -0.008 55.813 56.048 -0.378 0.000 1.125 41 H CB -0.297 29.108 29.762 -0.594 0.000 1.195 41 H HN 0.011 nan 8.280 nan 0.000 0.430 42 L N 0.922 121.793 121.223 -0.586 0.000 1.994 42 L HA -0.162 4.178 4.340 0.001 0.000 0.208 42 L C 2.274 178.989 176.870 -0.258 0.000 1.071 42 L CA 1.191 55.730 54.840 -0.501 0.000 0.745 42 L CB -0.115 41.489 42.059 -0.759 0.000 0.892 42 L HN 0.101 nan 8.230 nan 0.000 0.431 43 M N -0.302 119.196 119.600 -0.170 0.000 2.086 43 M HA -0.099 4.381 4.480 0.001 0.000 0.261 43 M C -0.051 176.199 176.300 -0.083 0.000 1.067 43 M CA 1.816 57.067 55.300 -0.081 0.000 1.116 43 M CB -2.523 30.082 32.600 0.008 0.000 1.348 43 M HN 0.148 nan 8.290 nan 0.000 0.407 44 P HA -0.069 nan 4.420 nan 0.000 0.217 44 P C 1.540 178.809 177.300 -0.052 0.000 1.150 44 P CA 1.378 64.452 63.100 -0.043 0.000 0.832 44 P CB -0.271 31.412 31.700 -0.028 0.000 0.787 45 T N -0.250 114.264 114.554 -0.068 0.000 2.777 45 T HA -0.107 4.243 4.350 0.001 0.000 0.266 45 T C 1.662 176.324 174.700 -0.063 0.000 1.040 45 T CA 0.909 62.974 62.100 -0.057 0.000 1.141 45 T CB -0.869 67.962 68.868 -0.063 0.000 0.868 45 T HN -0.036 nan 8.240 nan 0.000 0.444 46 L N 1.244 122.416 121.223 -0.085 0.000 2.046 46 L HA -0.061 4.280 4.340 0.001 0.000 0.208 46 L C 2.516 179.341 176.870 -0.075 0.000 1.077 46 L CA 1.716 56.504 54.840 -0.085 0.000 0.747 46 L CB -0.716 41.279 42.059 -0.107 0.000 0.896 46 L HN 0.289 nan 8.230 nan 0.000 0.432 47 Q N -1.412 118.339 119.800 -0.083 0.000 2.170 47 Q HA -0.122 4.219 4.340 0.001 0.000 0.203 47 Q C 2.021 177.988 176.000 -0.054 0.000 0.976 47 Q CA 1.227 56.980 55.803 -0.083 0.000 0.858 47 Q CB -0.431 28.248 28.738 -0.099 0.000 0.907 47 Q HN 0.645 nan 8.270 nan 0.000 0.433 48 G N 0.137 108.912 108.800 -0.042 0.000 2.511 48 G HA2 -0.106 3.855 3.960 0.001 0.000 0.217 48 G HA3 -0.106 3.855 3.960 0.001 0.000 0.217 48 G C 1.275 176.160 174.900 -0.025 0.000 1.133 48 G CA 0.213 45.297 45.100 -0.027 0.000 0.792 48 G HN 0.160 nan 8.290 nan 0.000 0.539 49 L N -0.843 120.361 121.223 -0.031 0.000 2.354 49 L HA 0.405 4.745 4.340 0.001 0.000 0.212 49 L C 0.471 177.325 176.870 -0.026 0.000 1.091 49 L CA 0.218 55.043 54.840 -0.025 0.000 0.828 49 L CB 0.099 42.143 42.059 -0.026 0.000 0.973 49 L HN 0.038 nan 8.230 nan 0.000 0.461 50 L N 0.003 121.205 121.223 -0.035 0.000 2.381 50 L HA 0.294 4.634 4.340 0.001 0.000 0.268 50 L C -0.592 176.251 176.870 -0.046 0.000 0.997 50 L CA -0.986 53.834 54.840 -0.035 0.000 0.818 50 L CB 1.974 44.013 42.059 -0.034 0.000 1.310 50 L HN 0.066 nan 8.230 nan 0.000 0.416 51 D N 1.635 122.007 120.400 -0.047 0.000 2.368 51 D HA 0.045 4.686 4.640 0.001 0.000 0.240 51 D C -2.127 174.125 176.300 -0.080 0.000 1.169 51 D CA -1.238 52.720 54.000 -0.070 0.000 0.906 51 D CB 1.271 42.024 40.800 -0.077 0.000 1.187 51 D HN 0.213 nan 8.370 nan 0.000 0.435 52 P HA -0.155 nan 4.420 nan 0.000 0.216 52 P C 1.300 178.579 177.300 -0.036 0.000 1.150 52 P CA 1.261 64.292 63.100 -0.115 0.000 0.837 52 P CB 0.104 31.690 31.700 -0.189 0.000 0.786 53 E N -0.507 119.661 120.200 -0.053 0.000 2.106 53 E HA -0.108 4.243 4.350 0.001 0.000 0.192 53 E C 1.849 178.491 176.600 0.070 0.000 0.984 53 E CA 1.012 57.451 56.400 0.064 0.000 0.806 53 E CB -0.217 29.488 29.700 0.008 0.000 0.750 53 E HN 0.062 nan 8.360 nan 0.000 0.458 54 S N 0.291 116.000 115.700 0.016 0.000 2.368 54 S HA -0.143 4.327 4.470 0.001 0.000 0.225 54 S C 1.998 176.615 174.600 0.029 0.000 1.030 54 S CA 0.991 59.200 58.200 0.014 0.000 0.999 54 S CB -0.185 63.013 63.200 -0.004 0.000 0.844 54 S HN 0.473 nan 8.310 nan 0.000 0.459 55 A N 0.791 123.627 122.820 0.027 0.000 1.930 55 A HA -0.149 4.172 4.320 0.001 0.000 0.217 55 A C 1.840 179.491 177.584 0.112 0.000 1.175 55 A CA 1.613 53.669 52.037 0.031 0.000 0.627 55 A CB -0.963 18.028 19.000 -0.014 0.000 0.815 55 A HN 0.726 nan 8.150 nan 0.000 0.443 56 H N -0.524 118.556 119.070 0.017 0.000 2.290 56 H HA -0.136 4.421 4.556 0.001 0.000 0.298 56 H C 2.444 177.734 175.328 -0.063 0.000 1.087 56 H CA 1.582 57.642 56.048 0.019 0.000 1.291 56 H CB 0.021 29.820 29.762 0.061 0.000 1.369 56 H HN 0.422 nan 8.280 nan 0.000 0.492 57 R N -0.077 120.387 120.500 -0.060 0.000 2.091 57 R HA -0.149 4.191 4.340 0.001 0.000 0.238 57 R C 2.529 178.819 176.300 -0.017 0.000 1.136 57 R CA 1.373 57.394 56.100 -0.131 0.000 0.959 57 R CB -0.258 30.000 30.300 -0.069 0.000 0.856 57 R HN 0.289 nan 8.270 nan 0.000 0.437 58 L N 0.520 121.774 121.223 0.051 0.000 2.056 58 L HA -0.057 4.283 4.340 0.001 0.000 0.207 58 L C 2.251 179.230 176.870 0.180 0.000 1.078 58 L CA 1.835 56.749 54.840 0.123 0.000 0.749 58 L CB -0.564 41.534 42.059 0.065 0.000 0.901 58 L HN 0.134 nan 8.230 nan 0.000 0.433 59 A N -0.950 121.958 122.820 0.147 0.000 1.883 59 A HA -0.198 4.123 4.320 0.001 0.000 0.217 59 A C 2.265 180.011 177.584 0.270 0.000 1.186 59 A CA 2.291 54.482 52.037 0.256 0.000 0.624 59 A CB -1.236 18.011 19.000 0.412 0.000 0.822 59 A HN 0.304 nan 8.150 nan 0.000 0.444 60 V N 0.026 119.960 119.914 0.032 0.000 2.343 60 V HA -0.245 3.875 4.120 0.001 0.000 0.247 60 V C 2.744 178.867 176.094 0.049 0.000 1.051 60 V CA 2.044 64.286 62.300 -0.097 0.000 1.036 60 V CB -0.823 30.790 31.823 -0.349 0.000 0.654 60 V HN 0.461 nan 8.190 nan 0.000 0.451 61 R N -0.778 119.776 120.500 0.091 0.000 2.080 61 R HA -0.165 4.175 4.340 0.001 0.000 0.236 61 R C 2.215 178.606 176.300 0.151 0.000 1.137 61 R CA 1.948 58.118 56.100 0.116 0.000 0.943 61 R CB -0.906 29.484 30.300 0.151 0.000 0.846 61 R HN 0.466 nan 8.270 nan 0.000 0.431 62 F N 0.723 120.712 119.950 0.065 0.000 2.134 62 F HA -0.166 4.361 4.527 0.001 0.000 0.299 62 F C 2.651 178.509 175.800 0.096 0.000 1.097 62 F CA 1.563 59.614 58.000 0.084 0.000 1.264 62 F CB -0.709 38.355 39.000 0.106 0.000 1.001 62 F HN 0.064 nan 8.300 nan 0.000 0.479 63 T N -0.920 113.819 114.554 0.308 0.000 2.746 63 T HA -0.204 4.146 4.350 0.001 0.000 0.267 63 T C 2.249 177.035 174.700 0.143 0.000 1.039 63 T CA 1.728 63.967 62.100 0.232 0.000 1.142 63 T CB -0.661 68.381 68.868 0.290 0.000 0.866 63 T HN 0.381 nan 8.240 nan 0.000 0.444 64 S N 1.307 117.070 115.700 0.105 0.000 2.447 64 S HA 0.065 4.536 4.470 0.001 0.000 0.233 64 S C 1.813 176.435 174.600 0.036 0.000 1.006 64 S CA 0.621 58.856 58.200 0.058 0.000 0.957 64 S CB -0.618 62.602 63.200 0.034 0.000 0.773 64 S HN 0.474 nan 8.310 nan 0.000 0.507 65 L N 0.738 121.971 121.223 0.017 0.000 2.592 65 L HA 0.343 4.683 4.340 0.001 0.000 0.227 65 L C 1.774 178.646 176.870 0.004 0.000 1.127 65 L CA 0.296 55.123 54.840 -0.022 0.000 0.884 65 L CB -0.524 41.469 42.059 -0.110 0.000 1.065 65 L HN 0.565 nan 8.230 nan 0.000 0.457 66 G N 0.960 109.790 108.800 0.051 0.000 2.160 66 G HA2 -0.297 3.663 3.960 0.001 0.000 0.251 66 G HA3 -0.297 3.663 3.960 0.001 0.000 0.251 66 G C 0.235 175.186 174.900 0.086 0.000 1.008 66 G CA -0.154 44.990 45.100 0.073 0.000 0.724 66 G HN 0.274 nan 8.290 nan 0.000 0.514 67 L N 0.810 122.093 121.223 0.101 0.000 2.391 67 L HA 0.372 4.712 4.340 0.001 0.000 0.249 67 L C 0.051 177.080 176.870 0.266 0.000 1.308 67 L CA -0.388 54.548 54.840 0.159 0.000 1.209 67 L CB -0.068 42.043 42.059 0.087 0.000 1.401 67 L HN 0.038 nan 8.230 nan 0.000 0.416 68 L N 2.235 123.569 121.223 0.185 0.000 2.341 68 L HA 0.682 5.022 4.340 0.001 0.000 0.267 68 L C -1.749 175.203 176.870 0.137 0.000 1.009 68 L CA -1.956 52.984 54.840 0.167 0.000 0.819 68 L CB 1.106 43.235 42.059 0.116 0.000 1.323 68 L HN 0.139 nan 8.230 nan 0.000 0.425 69 P HA 0.464 nan 4.420 nan 0.000 0.275 69 P C 0.342 177.659 177.300 0.028 0.000 1.266 69 P CA 0.046 63.192 63.100 0.077 0.000 0.793 69 P CB 0.536 32.249 31.700 0.022 0.000 1.074 70 R N -0.151 120.365 120.500 0.026 0.000 3.794 70 R HA -0.072 4.269 4.340 0.001 0.000 0.485 70 R C 0.621 176.939 176.300 0.029 0.000 0.241 70 R CA 1.344 57.455 56.100 0.019 0.000 1.522 70 R CB -2.557 27.740 30.300 -0.005 0.000 0.988 70 R HN 1.030 nan 8.270 nan 0.000 0.570 71 A N 0.712 123.550 122.820 0.031 0.000 2.260 71 A HA 0.679 4.999 4.320 0.001 0.000 0.312 71 A C 1.618 179.236 177.584 0.056 0.000 1.321 71 A CA 1.023 53.080 52.037 0.032 0.000 0.928 71 A CB 0.709 19.726 19.000 0.028 0.000 1.158 71 A HN 2.227 nan 8.150 nan 0.000 0.542 72 R N 2.204 122.740 120.500 0.059 0.000 2.316 72 R HA 0.111 4.451 4.340 0.001 0.000 0.202 72 R C 0.300 176.646 176.300 0.078 0.000 1.029 72 R CA 0.849 56.982 56.100 0.055 0.000 1.018 72 R CB -0.891 29.437 30.300 0.046 0.000 0.888 72 R HN 0.757 nan 8.270 nan 0.000 0.471 73 F N 1.443 121.380 119.950 -0.020 0.000 2.445 73 F HA 0.293 4.821 4.527 0.001 0.000 0.359 73 F C 0.541 176.338 175.800 -0.005 0.000 1.101 73 F CA -0.506 57.484 58.000 -0.016 0.000 1.177 73 F CB 1.298 40.282 39.000 -0.028 0.000 1.110 73 F HN 0.219 nan 8.300 nan 0.000 0.522 74 Q N 5.279 124.716 119.800 -0.605 0.000 2.314 74 Q HA 0.170 4.510 4.340 0.001 0.000 0.259 74 Q C -1.102 174.570 176.000 -0.548 0.000 0.951 74 Q CA -1.011 54.556 55.803 -0.393 0.000 0.909 74 Q CB 0.807 29.376 28.738 -0.282 0.000 1.236 74 Q HN 0.553 nan 8.270 nan 0.000 0.444 75 D N 2.278 122.609 120.400 -0.115 0.000 2.390 75 D HA 0.048 4.688 4.640 0.001 0.000 0.249 75 D C -0.018 176.283 176.300 0.001 0.000 1.144 75 D CA 0.297 54.348 54.000 0.085 0.000 0.880 75 D CB 1.093 42.008 40.800 0.192 0.000 1.182 75 D HN 0.515 nan 8.370 nan 0.000 0.451 76 S N 1.274 116.996 115.700 0.037 0.000 2.652 76 S HA 0.171 4.641 4.470 0.001 0.000 0.270 76 S C 0.756 175.393 174.600 0.062 0.000 1.243 76 S CA -0.779 57.436 58.200 0.024 0.000 0.999 76 S CB 1.471 64.688 63.200 0.028 0.000 0.973 76 S HN 0.190 nan 8.310 nan 0.000 0.544 77 D N 0.548 120.975 120.400 0.045 0.000 2.263 77 D HA -0.062 4.578 4.640 0.001 0.000 0.208 77 D C 1.651 177.990 176.300 0.064 0.000 0.971 77 D CA 1.126 55.157 54.000 0.052 0.000 0.867 77 D CB -0.305 40.517 40.800 0.037 0.000 0.929 77 D HN 0.540 nan 8.370 nan 0.000 0.492 78 M N -0.392 119.250 119.600 0.070 0.000 2.279 78 M HA -0.105 4.375 4.480 0.001 0.000 0.264 78 M C 1.723 178.073 176.300 0.084 0.000 1.062 78 M CA 0.948 56.294 55.300 0.077 0.000 1.099 78 M CB 0.033 32.684 32.600 0.086 0.000 1.394 78 M HN 0.045 nan 8.290 nan 0.000 0.426 79 L N -0.894 120.392 121.223 0.105 0.000 2.529 79 L HA 0.061 4.401 4.340 0.001 0.000 0.223 79 L C 1.049 177.988 176.870 0.116 0.000 1.113 79 L CA -0.117 54.793 54.840 0.116 0.000 0.861 79 L CB -0.191 41.966 42.059 0.163 0.000 1.012 79 L HN 0.240 nan 8.230 nan 0.000 0.461 80 E N 1.181 121.445 120.200 0.107 0.000 2.344 80 E HA 0.222 4.573 4.350 0.001 0.000 0.270 80 E C -1.162 175.498 176.600 0.101 0.000 1.021 80 E CA -0.160 56.310 56.400 0.117 0.000 0.887 80 E CB 1.034 30.791 29.700 0.096 0.000 0.997 80 E HN -0.129 nan 8.360 nan 0.000 0.429 81 V N 5.253 125.248 119.914 0.135 0.000 2.656 81 V HA 0.414 4.534 4.120 0.001 0.000 0.307 81 V C -0.393 175.804 176.094 0.171 0.000 1.051 81 V CA -0.817 61.539 62.300 0.093 0.000 0.893 81 V CB 1.896 33.712 31.823 -0.013 0.000 0.999 81 V HN 0.678 nan 8.190 nan 0.000 0.426 82 R N 2.500 123.067 120.500 0.111 0.000 2.275 82 R HA 0.813 5.153 4.340 0.001 0.000 0.326 82 R C -1.200 175.157 176.300 0.096 0.000 0.973 82 R CA -0.307 55.874 56.100 0.135 0.000 0.854 82 R CB 1.882 32.230 30.300 0.079 0.000 1.156 82 R HN 0.502 nan 8.270 nan 0.000 0.487 83 V N 4.443 124.453 119.914 0.161 0.000 3.204 83 V HA 0.258 4.379 4.120 0.001 0.000 0.298 83 V C -0.494 175.708 176.094 0.180 0.000 1.328 83 V CA -0.815 61.525 62.300 0.067 0.000 1.035 83 V CB 1.854 33.612 31.823 -0.109 0.000 1.095 83 V HN 0.866 nan 8.190 nan 0.000 0.442 84 L N 4.802 126.082 121.223 0.095 0.000 3.843 84 L HA -0.190 4.151 4.340 0.001 0.000 0.411 84 L C 1.294 178.291 176.870 0.210 0.000 1.205 84 L CA 0.941 55.869 54.840 0.146 0.000 0.945 84 L CB -1.679 40.473 42.059 0.156 0.000 1.929 84 L HN 1.585 nan 8.230 nan 0.000 0.934 85 G N -1.532 107.310 108.800 0.071 0.000 2.168 85 G HA2 -0.301 3.659 3.960 0.001 0.000 0.257 85 G HA3 -0.301 3.659 3.960 0.001 0.000 0.257 85 G C 0.035 174.724 174.900 -0.352 0.000 0.997 85 G CA 0.861 45.892 45.100 -0.115 0.000 0.708 85 G HN 0.722 nan 8.290 nan 0.000 0.520 86 H N -1.240 117.876 119.070 0.077 0.000 2.895 86 H HA 0.630 5.186 4.556 0.001 0.000 0.373 86 H C -0.079 175.264 175.328 0.026 0.000 1.174 86 H CA -0.678 55.358 56.048 -0.021 0.000 1.144 86 H CB 1.480 31.133 29.762 -0.181 0.000 1.793 86 H HN 0.191 nan 8.280 nan 0.000 0.551 87 K N 2.152 122.576 120.400 0.040 0.000 2.201 87 K HA 0.320 4.641 4.320 0.001 0.000 0.278 87 K C -1.445 175.109 176.600 -0.077 0.000 1.027 87 K CA -0.406 55.916 56.287 0.059 0.000 0.909 87 K CB 0.474 32.987 32.500 0.023 0.000 1.062 87 K HN 0.349 nan 8.250 nan 0.000 0.465 88 F N 3.959 123.937 119.950 0.046 0.000 2.403 88 F HA 0.353 4.880 4.527 0.001 0.000 0.355 88 F C 1.358 177.211 175.800 0.089 0.000 1.119 88 F CA -0.854 57.183 58.000 0.062 0.000 1.007 88 F CB 1.567 40.561 39.000 -0.009 0.000 1.194 88 F HN 0.642 nan 8.300 nan 0.000 0.443 89 R N 2.108 122.743 120.500 0.225 0.000 2.105 89 R HA -0.177 4.164 4.340 0.001 0.000 0.239 89 R C -0.243 176.187 176.300 0.217 0.000 1.135 89 R CA 1.748 57.956 56.100 0.180 0.000 0.967 89 R CB -0.062 30.323 30.300 0.141 0.000 0.861 89 R HN 0.884 nan 8.270 nan 0.000 0.442 90 N N -2.614 116.258 118.700 0.287 0.000 2.494 90 N HA 0.210 4.951 4.740 0.001 0.000 0.270 90 N C -2.670 173.038 175.510 0.330 0.000 1.285 90 N CA -1.566 51.640 53.050 0.260 0.000 0.812 90 N CB 2.131 40.753 38.487 0.225 0.000 1.557 90 N HN -0.307 nan 8.380 nan 0.000 0.487 91 P HA 0.149 nan 4.420 nan 0.000 0.261 91 P C -0.764 176.769 177.300 0.387 0.000 1.352 91 P CA 0.060 63.309 63.100 0.248 0.000 0.891 91 P CB 0.217 31.970 31.700 0.088 0.000 1.383 92 V N 0.415 120.532 119.914 0.338 0.000 2.311 92 V HA 0.617 4.737 4.120 0.001 0.000 0.275 92 V C 0.917 177.085 176.094 0.124 0.000 1.022 92 V CA -0.489 61.934 62.300 0.204 0.000 0.830 92 V CB 1.056 32.934 31.823 0.091 0.000 1.012 92 V HN 0.100 nan 8.190 nan 0.000 0.452 93 G N 3.294 111.881 108.800 -0.354 0.000 2.509 93 G HA2 0.679 4.640 3.960 0.001 0.000 0.328 93 G HA3 0.679 4.640 3.960 0.001 0.000 0.328 93 G C -1.047 173.461 174.900 -0.652 0.000 1.194 93 G CA -0.792 43.694 45.100 -1.024 0.000 0.967 93 G HN 0.594 nan 8.290 nan 0.000 0.488 94 I N 1.198 121.112 120.570 -1.094 0.000 2.342 94 I HA 0.602 4.772 4.170 0.001 0.000 0.291 94 I C 0.814 176.581 176.117 -0.583 0.000 1.010 94 I CA -0.480 60.136 61.300 -1.140 0.000 1.308 94 I CB 0.770 37.798 38.000 -1.619 0.000 1.400 94 I HN 0.641 nan 8.210 nan 0.000 0.488 95 A N 6.339 128.941 122.820 -0.363 0.000 2.406 95 A HA 0.670 4.990 4.320 0.001 0.000 0.243 95 A C 0.548 178.038 177.584 -0.156 0.000 1.082 95 A CA -0.021 51.930 52.037 -0.143 0.000 0.786 95 A CB -0.150 18.867 19.000 0.028 0.000 1.029 95 A HN 1.136 nan 8.150 nan 0.000 0.495 96 A N -0.055 122.743 122.820 -0.036 0.000 2.547 96 A HA 0.469 4.790 4.320 0.001 0.000 0.233 96 A C 1.598 179.179 177.584 -0.005 0.000 1.067 96 A CA 0.957 52.974 52.037 -0.033 0.000 0.763 96 A CB -0.585 18.437 19.000 0.035 0.000 1.007 96 A HN 2.749 nan 8.150 nan 0.000 0.506 97 G N -0.215 108.548 108.800 -0.063 0.000 2.232 97 G HA2 -0.276 3.685 3.960 0.001 0.000 0.226 97 G HA3 -0.276 3.685 3.960 0.001 0.000 0.226 97 G C 0.718 175.603 174.900 -0.026 0.000 0.996 97 G CA 0.912 46.031 45.100 0.031 0.000 0.626 97 G HN 1.337 nan 8.290 nan 0.000 0.509 98 F N 1.660 121.263 119.950 -0.578 0.000 2.188 98 F HA 0.409 4.936 4.527 0.000 0.000 0.289 98 F C 0.891 176.583 175.800 -0.180 0.000 1.082 98 F CA 1.297 58.956 58.000 -0.569 0.000 1.282 98 F CB 0.436 38.827 39.000 -1.016 0.000 1.060 98 F HN 0.032 nan 8.300 nan 0.000 0.493 99 D N 0.787 121.021 120.400 -0.276 0.000 2.557 99 D HA 0.147 4.787 4.640 0.001 0.000 0.236 99 D C 0.774 176.854 176.300 -0.368 0.000 1.154 99 D CA 0.057 53.854 54.000 -0.338 0.000 0.985 99 D CB 0.414 41.110 40.800 -0.174 0.000 1.010 99 D HN 0.223 nan 8.370 nan 0.000 0.516 100 K N 0.383 120.436 120.400 -0.578 0.000 2.148 100 K HA -0.085 4.235 4.320 0.001 0.000 0.204 100 K C 0.713 176.957 176.600 -0.593 0.000 1.050 100 K CA 0.905 56.794 56.287 -0.663 0.000 0.942 100 K CB 0.232 32.169 32.500 -0.938 0.000 0.724 100 K HN 0.482 nan 8.250 nan 0.000 0.446 101 H N -1.355 117.544 119.070 -0.285 0.000 2.674 101 H HA 0.214 4.770 4.556 0.000 0.000 0.274 101 H C 0.776 176.025 175.328 -0.132 0.000 1.121 101 H CA 0.436 56.325 56.048 -0.264 0.000 1.132 101 H CB 0.914 30.333 29.762 -0.571 0.000 1.606 101 H HN 0.335 nan 8.280 nan 0.000 0.558 102 G N 1.960 110.715 108.800 -0.075 0.000 2.198 102 G HA2 -0.311 3.650 3.960 0.001 0.000 0.257 102 G HA3 -0.311 3.650 3.960 0.001 0.000 0.257 102 G C 0.631 175.521 174.900 -0.016 0.000 1.042 102 G CA 0.493 45.567 45.100 -0.044 0.000 0.791 102 G HN 0.504 nan 8.290 nan 0.000 0.502 103 E N -0.718 119.462 120.200 -0.033 0.000 2.472 103 E HA 0.445 4.796 4.350 0.001 0.000 0.196 103 E C 1.787 178.383 176.600 -0.008 0.000 1.033 103 E CA 0.602 56.999 56.400 -0.004 0.000 0.886 103 E CB 0.415 30.115 29.700 0.000 0.000 0.944 103 E HN 0.825 nan 8.360 nan 0.000 0.492 104 A N 0.298 123.104 122.820 -0.024 0.000 2.543 104 A HA 0.222 4.542 4.320 0.001 0.000 0.279 104 A C 1.331 178.908 177.584 -0.012 0.000 0.917 104 A CA -0.267 51.775 52.037 0.009 0.000 1.036 104 A CB 0.092 19.116 19.000 0.040 0.000 1.227 104 A HN 0.043 nan 8.150 nan 0.000 0.503 105 V N 0.336 120.226 119.914 -0.040 0.000 2.295 105 V HA -0.234 3.886 4.120 0.001 0.000 0.246 105 V C 2.159 178.186 176.094 -0.111 0.000 1.049 105 V CA 2.532 64.757 62.300 -0.124 0.000 1.024 105 V CB -0.408 31.385 31.823 -0.050 0.000 0.648 105 V HN 0.576 nan 8.190 nan 0.000 0.447 106 D N 0.462 120.907 120.400 0.076 0.000 2.144 106 D HA -0.097 4.543 4.640 0.001 0.000 0.200 106 D C 2.192 178.583 176.300 0.152 0.000 0.978 106 D CA 1.617 55.735 54.000 0.196 0.000 0.833 106 D CB -0.364 40.531 40.800 0.158 0.000 0.961 106 D HN 0.508 nan 8.370 nan 0.000 0.470 107 G N 1.046 109.905 108.800 0.098 0.000 2.432 107 G HA2 -0.175 3.786 3.960 0.001 0.000 0.219 107 G HA3 -0.175 3.786 3.960 0.001 0.000 0.219 107 G C 1.833 176.804 174.900 0.118 0.000 1.135 107 G CA 0.176 45.343 45.100 0.112 0.000 0.767 107 G HN 0.213 nan 8.290 nan 0.000 0.550 108 L N -1.065 120.194 121.223 0.059 0.000 2.093 108 L HA -0.008 4.332 4.340 0.001 0.000 0.208 108 L C 2.613 179.566 176.870 0.139 0.000 1.085 108 L CA 0.772 55.655 54.840 0.072 0.000 0.755 108 L CB -0.412 41.565 42.059 -0.137 0.000 0.904 108 L HN 0.241 nan 8.230 nan 0.000 0.435 109 Y N -0.023 120.375 120.300 0.164 0.000 2.181 109 Y HA -0.289 4.261 4.550 0.001 0.000 0.288 109 Y C 2.723 178.691 175.900 0.113 0.000 1.146 109 Y CA 1.202 59.390 58.100 0.146 0.000 1.164 109 Y CB -0.155 38.367 38.460 0.103 0.000 0.982 109 Y HN 0.081 nan 8.280 nan 0.000 0.515 110 K N 0.508 121.053 120.400 0.241 0.000 2.209 110 K HA -0.217 4.103 4.320 0.001 0.000 0.204 110 K C 2.059 178.718 176.600 0.098 0.000 1.048 110 K CA 1.200 57.577 56.287 0.150 0.000 0.940 110 K CB -0.205 32.370 32.500 0.125 0.000 0.729 110 K HN 0.313 nan 8.250 nan 0.000 0.451 111 M N -0.921 118.735 119.600 0.093 0.000 2.460 111 M HA -0.059 4.421 4.480 0.001 0.000 0.263 111 M C 0.763 176.971 176.300 -0.153 0.000 1.071 111 M CA 1.571 56.860 55.300 -0.018 0.000 1.096 111 M CB 0.335 32.951 32.600 0.026 0.000 1.408 111 M HN 0.508 nan 8.290 nan 0.000 0.463 112 G N -0.600 108.172 108.800 -0.048 0.000 2.192 112 G HA2 -0.211 3.750 3.960 0.001 0.000 0.193 112 G HA3 -0.211 3.750 3.960 0.001 0.000 0.193 112 G C -0.043 174.821 174.900 -0.059 0.000 0.999 112 G CA -0.620 44.444 45.100 -0.060 0.000 0.659 112 G HN 0.380 nan 8.290 nan 0.000 0.503 113 F N 1.160 121.142 119.950 0.053 0.000 2.529 113 F HA 0.429 4.957 4.527 0.001 0.000 0.365 113 F C 1.848 177.766 175.800 0.196 0.000 1.102 113 F CA 0.960 58.978 58.000 0.031 0.000 1.271 113 F CB 1.319 40.257 39.000 -0.103 0.000 1.120 113 F HN 0.021 nan 8.300 nan 0.000 0.579 114 G N 3.234 112.301 108.800 0.445 0.000 2.712 114 G HA2 0.118 4.079 3.960 0.001 0.000 0.212 114 G HA3 0.118 4.079 3.960 0.001 0.000 0.212 114 G C -0.277 175.088 174.900 0.775 0.000 1.142 114 G CA 0.152 45.577 45.100 0.543 0.000 0.789 114 G HN 0.604 nan 8.290 nan 0.000 0.535 115 F N -2.791 117.431 119.950 0.454 0.000 2.719 115 F HA 0.702 5.229 4.527 0.000 0.000 0.309 115 F C -1.519 174.390 175.800 0.183 0.000 1.138 115 F CA -1.631 56.629 58.000 0.434 0.000 0.943 115 F CB 1.460 40.790 39.000 0.549 0.000 1.304 115 F HN -0.172 nan 8.300 nan 0.000 0.445 116 V N 1.117 121.103 119.914 0.121 0.000 2.588 116 V HA 0.462 4.582 4.120 0.001 0.000 0.304 116 V C -1.022 175.021 176.094 -0.084 0.000 1.042 116 V CA -0.584 61.575 62.300 -0.236 0.000 0.877 116 V CB 1.722 33.249 31.823 -0.493 0.000 0.996 116 V HN 0.867 nan 8.190 nan 0.000 0.425 117 E N 4.248 124.358 120.200 -0.150 0.000 2.165 117 E HA 0.614 4.964 4.350 0.001 0.000 0.266 117 E C -0.832 175.685 176.600 -0.138 0.000 0.889 117 E CA -0.616 55.731 56.400 -0.088 0.000 0.756 117 E CB 1.662 31.394 29.700 0.052 0.000 1.131 117 E HN 0.753 nan 8.360 nan 0.000 0.411 118 I N 1.137 121.630 120.570 -0.128 0.000 2.793 118 I HA 0.915 5.085 4.170 0.001 0.000 0.313 118 I C 0.528 176.590 176.117 -0.091 0.000 0.998 118 I CA -0.162 61.062 61.300 -0.128 0.000 1.140 118 I CB 1.658 39.587 38.000 -0.119 0.000 1.327 118 I HN 0.713 nan 8.210 nan 0.000 0.491 119 G N 2.325 111.055 108.800 -0.116 0.000 2.483 119 G HA2 -0.102 3.859 3.960 0.001 0.000 0.521 119 G HA3 -0.102 3.859 3.960 0.001 0.000 0.521 119 G C -0.653 174.204 174.900 -0.072 0.000 1.278 119 G CA -0.407 44.654 45.100 -0.064 0.000 0.965 119 G HN 0.877 nan 8.290 nan 0.000 0.504 120 S N -0.931 114.776 115.700 0.013 0.000 2.562 120 S HA 0.466 4.936 4.470 0.001 0.000 0.281 120 S C 0.540 175.216 174.600 0.127 0.000 1.333 120 S CA -0.061 58.228 58.200 0.148 0.000 1.052 120 S CB 1.268 64.709 63.200 0.402 0.000 0.884 120 S HN 1.200 nan 8.310 nan 0.000 0.506 121 V N 3.482 123.465 119.914 0.114 0.000 2.417 121 V HA 0.496 4.617 4.120 0.001 0.000 0.291 121 V C 0.570 176.712 176.094 0.080 0.000 1.024 121 V CA -0.896 61.459 62.300 0.092 0.000 0.861 121 V CB 1.394 33.251 31.823 0.057 0.000 0.985 121 V HN 1.002 nan 8.190 nan 0.000 0.436 122 T N 2.343 116.938 114.554 0.068 0.000 2.929 122 T HA 0.464 4.815 4.350 0.001 0.000 0.284 122 T C -1.986 172.709 174.700 -0.008 0.000 1.014 122 T CA -2.088 60.013 62.100 0.002 0.000 1.051 122 T CB 2.127 70.998 68.868 0.004 0.000 1.028 122 T HN 0.349 nan 8.240 nan 0.000 0.485 123 P HA -0.043 nan 4.420 nan 0.000 0.214 123 P C 0.110 177.402 177.300 -0.014 0.000 1.163 123 P CA 1.248 64.327 63.100 -0.034 0.000 0.889 123 P CB 0.110 31.773 31.700 -0.061 0.000 0.790 124 K N -0.832 119.558 120.400 -0.016 0.000 2.098 124 K HA 0.350 4.670 4.320 0.001 0.000 0.258 124 K C -2.450 174.158 176.600 0.013 0.000 0.973 124 K CA -2.555 53.730 56.287 -0.003 0.000 0.898 124 K CB 0.099 32.592 32.500 -0.011 0.000 1.057 124 K HN -0.111 nan 8.250 nan 0.000 0.447 125 P HA -0.075 nan 4.420 nan 0.000 0.267 125 P C -1.379 175.939 177.300 0.030 0.000 1.200 125 P CA 0.065 63.182 63.100 0.029 0.000 0.772 125 P CB 0.480 32.183 31.700 0.005 0.000 0.855 126 Q N 0.261 120.092 119.800 0.052 0.000 2.472 126 Q HA 0.335 4.675 4.340 0.001 0.000 0.281 126 Q C -0.243 175.801 176.000 0.074 0.000 0.997 126 Q CA -0.777 55.060 55.803 0.056 0.000 0.828 126 Q CB 1.252 30.025 28.738 0.059 0.000 1.443 126 Q HN 0.159 nan 8.270 nan 0.000 0.390 127 E N 0.916 121.157 120.200 0.068 0.000 2.299 127 E HA 0.108 4.459 4.350 0.001 0.000 0.193 127 E C 0.859 177.521 176.600 0.104 0.000 0.998 127 E CA 1.321 57.765 56.400 0.073 0.000 0.851 127 E CB 0.224 29.956 29.700 0.054 0.000 0.795 127 E HN 0.890 nan 8.360 nan 0.000 0.492 128 G N 1.775 110.647 108.800 0.120 0.000 2.642 128 G HA2 -0.237 3.723 3.960 0.001 0.000 0.231 128 G HA3 -0.237 3.723 3.960 0.001 0.000 0.231 128 G C -0.137 174.837 174.900 0.123 0.000 1.338 128 G CA -0.293 44.898 45.100 0.152 0.000 0.883 128 G HN 0.169 nan 8.290 nan 0.000 0.570 129 N N 1.673 120.451 118.700 0.129 0.000 2.444 129 N HA 0.469 5.209 4.740 0.001 0.000 0.255 129 N C -2.101 173.452 175.510 0.071 0.000 1.255 129 N CA -0.581 52.525 53.050 0.093 0.000 0.933 129 N CB 0.105 38.645 38.487 0.089 0.000 1.143 129 N HN 0.388 nan 8.380 nan 0.000 0.453 130 P HA 0.139 nan 4.420 nan 0.000 0.269 130 P C -0.081 177.235 177.300 0.026 0.000 1.215 130 P CA 0.108 63.232 63.100 0.041 0.000 0.780 130 P CB 0.749 32.473 31.700 0.039 0.000 0.898 131 R N 2.249 122.755 120.500 0.009 0.000 2.500 131 R HA 0.400 4.740 4.340 0.001 0.000 0.275 131 R C -1.644 174.652 176.300 -0.008 0.000 1.051 131 R CA -1.396 54.687 56.100 -0.029 0.000 1.088 131 R CB -0.243 30.038 30.300 -0.032 0.000 1.063 131 R HN 0.504 nan 8.270 nan 0.000 0.511 132 P HA 0.150 nan 4.420 nan 0.000 0.275 132 P C -0.577 176.590 177.300 -0.222 0.000 1.228 132 P CA -0.289 62.702 63.100 -0.181 0.000 0.786 132 P CB 0.797 32.380 31.700 -0.194 0.000 0.927 133 R N 0.049 120.252 120.500 -0.494 0.000 2.519 133 R HA 0.368 4.708 4.340 0.001 0.000 0.375 133 R C -0.286 175.630 176.300 -0.641 0.000 0.926 133 R CA -0.351 55.525 56.100 -0.373 0.000 1.166 133 R CB 0.021 30.179 30.300 -0.236 0.000 1.626 133 R HN 0.267 nan 8.270 nan 0.000 0.529 134 V N -1.304 117.981 119.914 -1.048 0.000 2.841 134 V HA 0.745 4.866 4.120 0.001 0.000 0.310 134 V C -1.323 174.148 176.094 -1.039 0.000 1.090 134 V CA -1.070 60.745 62.300 -0.807 0.000 0.930 134 V CB 1.666 33.111 31.823 -0.629 0.000 1.014 134 V HN 0.051 nan 8.190 nan 0.000 0.425 135 F N 1.350 121.208 119.950 -0.154 0.000 2.573 135 F HA 0.660 5.187 4.527 0.001 0.000 0.316 135 F C 0.092 175.835 175.800 -0.095 0.000 1.148 135 F CA -0.628 57.308 58.000 -0.107 0.000 0.940 135 F CB 2.296 41.245 39.000 -0.084 0.000 1.214 135 F HN 0.500 nan 8.300 nan 0.000 0.448 136 R N 2.232 122.774 120.500 0.070 0.000 2.357 136 R HA 0.652 4.993 4.340 0.001 0.000 0.296 136 R C -1.342 175.012 176.300 0.089 0.000 1.052 136 R CA -0.706 55.413 56.100 0.031 0.000 0.988 136 R CB 0.827 31.112 30.300 -0.026 0.000 1.025 136 R HN 0.577 nan 8.270 nan 0.000 0.469 137 L N 7.668 128.963 121.223 0.119 0.000 2.502 137 L HA 0.320 4.661 4.340 0.001 0.000 0.247 137 L C -1.866 175.072 176.870 0.113 0.000 1.180 137 L CA -1.678 53.217 54.840 0.092 0.000 0.956 137 L CB 1.582 43.675 42.059 0.057 0.000 1.282 137 L HN 0.537 nan 8.230 nan 0.000 0.470 138 P HA -0.119 nan 4.420 nan 0.000 0.217 138 P C 0.963 178.239 177.300 -0.040 0.000 1.150 138 P CA 1.062 64.228 63.100 0.110 0.000 0.832 138 P CB 0.484 32.249 31.700 0.108 0.000 0.787 139 E N -0.368 119.821 120.200 -0.018 0.000 2.265 139 E HA -0.129 4.221 4.350 0.001 0.000 0.196 139 E C 1.120 177.684 176.600 -0.060 0.000 0.996 139 E CA 1.009 57.388 56.400 -0.035 0.000 0.832 139 E CB -0.637 29.053 29.700 -0.016 0.000 0.756 139 E HN 0.381 nan 8.360 nan 0.000 0.491 140 D N -0.294 120.065 120.400 -0.069 0.000 2.398 140 D HA 0.016 4.657 4.640 0.001 0.000 0.210 140 D C -0.260 175.952 176.300 -0.146 0.000 1.094 140 D CA 0.031 53.987 54.000 -0.074 0.000 0.839 140 D CB 0.337 41.118 40.800 -0.032 0.000 0.963 140 D HN 0.070 nan 8.370 nan 0.000 0.506 141 Q N 0.046 119.654 119.800 -0.319 0.000 2.439 141 Q HA -0.174 4.166 4.340 0.001 0.000 0.325 141 Q C -0.452 175.396 176.000 -0.254 0.000 1.372 141 Q CA 0.499 55.853 55.803 -0.749 0.000 0.909 141 Q CB -1.282 27.108 28.738 -0.581 0.000 1.167 141 Q HN 0.360 nan 8.270 nan 0.000 0.418 142 A N -0.556 122.299 122.820 0.059 0.000 2.566 142 A HA 0.894 5.214 4.320 0.001 0.000 0.292 142 A C -0.831 176.859 177.584 0.177 0.000 1.112 142 A CA -0.528 51.586 52.037 0.129 0.000 0.707 142 A CB 2.076 21.098 19.000 0.037 0.000 1.302 142 A HN 0.119 nan 8.150 nan 0.000 0.409 143 V N 0.947 120.896 119.914 0.059 0.000 2.876 143 V HA 0.511 4.631 4.120 0.001 0.000 0.312 143 V C -0.786 175.302 176.094 -0.008 0.000 1.085 143 V CA -0.295 61.998 62.300 -0.012 0.000 0.945 143 V CB 1.871 33.608 31.823 -0.144 0.000 1.017 143 V HN 0.732 nan 8.190 nan 0.000 0.428 144 I N 3.913 124.504 120.570 0.035 0.000 2.404 144 I HA 0.469 4.640 4.170 0.001 0.000 0.293 144 I C -0.397 175.761 176.117 0.068 0.000 0.992 144 I CA -0.309 61.024 61.300 0.055 0.000 1.149 144 I CB 1.793 39.835 38.000 0.070 0.000 1.315 144 I HN 0.895 nan 8.210 nan 0.000 0.446 145 N N 5.002 123.702 118.700 0.001 0.000 2.238 145 N HA 0.614 5.354 4.740 0.001 0.000 0.302 145 N C -0.700 174.801 175.510 -0.015 0.000 1.072 145 N CA -1.055 51.955 53.050 -0.067 0.000 0.792 145 N CB 1.501 39.916 38.487 -0.121 0.000 1.425 145 N HN 0.589 nan 8.380 nan 0.000 0.478 146 R N 1.300 121.776 120.500 -0.040 0.000 2.718 146 R HA 0.238 4.578 4.340 0.001 0.000 0.307 146 R C -0.498 175.806 176.300 0.007 0.000 1.244 146 R CA -0.679 55.431 56.100 0.017 0.000 1.348 146 R CB -0.848 29.495 30.300 0.073 0.000 1.304 146 R HN 0.556 nan 8.270 nan 0.000 0.663 147 Y N 1.592 121.868 120.300 -0.039 0.000 2.114 147 Y HA -0.195 4.356 4.550 0.001 0.000 0.282 147 Y C 1.953 177.848 175.900 -0.007 0.000 1.165 147 Y CA 2.058 60.133 58.100 -0.042 0.000 1.148 147 Y CB 0.143 38.556 38.460 -0.078 0.000 0.972 147 Y HN 0.724 nan 8.280 nan 0.000 0.504 148 G N -1.169 107.715 108.800 0.140 0.000 2.171 148 G HA2 -0.308 3.653 3.960 0.001 0.000 0.238 148 G HA3 -0.308 3.653 3.960 0.001 0.000 0.238 148 G C 0.105 175.227 174.900 0.371 0.000 1.039 148 G CA -0.189 45.056 45.100 0.241 0.000 0.759 148 G HN 0.457 nan 8.290 nan 0.000 0.501 149 F N -1.192 118.827 119.950 0.113 0.000 3.040 149 F HA -0.214 4.314 4.527 0.000 0.000 0.298 149 F C 1.072 176.907 175.800 0.058 0.000 0.948 149 F CA 0.418 58.457 58.000 0.065 0.000 1.022 149 F CB -2.342 36.691 39.000 0.054 0.000 1.023 149 F HN 0.724 nan 8.300 nan 0.000 0.742 150 N N 0.898 119.688 118.700 0.150 0.000 2.411 150 N HA 0.228 4.968 4.740 0.001 0.000 0.265 150 N C -0.100 175.515 175.510 0.175 0.000 1.266 150 N CA 0.645 53.775 53.050 0.134 0.000 0.889 150 N CB 1.815 40.358 38.487 0.093 0.000 1.069 150 N HN 0.329 nan 8.380 nan 0.000 0.476 151 S N 1.146 116.952 115.700 0.178 0.000 2.546 151 S HA 0.218 4.689 4.470 0.001 0.000 0.272 151 S C 0.244 174.912 174.600 0.112 0.000 1.140 151 S CA -0.750 57.567 58.200 0.195 0.000 0.920 151 S CB 0.684 63.983 63.200 0.167 0.000 1.083 151 S HN 0.638 nan 8.310 nan 0.000 0.476 152 H N 2.646 121.637 119.070 -0.131 0.000 2.545 152 H HA 0.226 4.783 4.556 0.001 0.000 0.282 152 H C 1.365 176.663 175.328 -0.050 0.000 1.020 152 H CA 0.292 56.229 56.048 -0.184 0.000 1.243 152 H CB 0.162 29.761 29.762 -0.272 0.000 1.377 152 H HN 0.999 nan 8.280 nan 0.000 0.581 153 G N -0.159 108.712 108.800 0.120 0.000 2.730 153 G HA2 -0.239 3.721 3.960 0.001 0.000 0.686 153 G HA3 -0.239 3.721 3.960 0.001 0.000 0.686 153 G C 0.437 175.374 174.900 0.063 0.000 1.343 153 G CA -0.285 44.858 45.100 0.071 0.000 0.826 153 G HN 0.184 nan 8.290 nan 0.000 0.582 154 L N 0.472 121.716 121.223 0.035 0.000 2.012 154 L HA -0.127 4.214 4.340 0.001 0.000 0.210 154 L C 3.207 180.085 176.870 0.013 0.000 1.073 154 L CA 2.399 57.250 54.840 0.018 0.000 0.748 154 L CB -0.731 41.327 42.059 -0.001 0.000 0.891 154 L HN 0.749 nan 8.230 nan 0.000 0.431 155 S N -0.468 115.248 115.700 0.027 0.000 2.353 155 S HA -0.175 4.295 4.470 0.001 0.000 0.222 155 S C 1.967 176.642 174.600 0.125 0.000 1.035 155 S CA 1.558 59.793 58.200 0.058 0.000 1.025 155 S CB -0.183 63.067 63.200 0.083 0.000 0.902 155 S HN 0.185 nan 8.310 nan 0.000 0.440 156 V N 1.329 121.306 119.914 0.106 0.000 2.343 156 V HA -0.118 4.002 4.120 0.001 0.000 0.247 156 V C 2.433 178.595 176.094 0.113 0.000 1.051 156 V CA 1.784 64.152 62.300 0.113 0.000 1.036 156 V CB -0.601 31.259 31.823 0.062 0.000 0.654 156 V HN 0.423 nan 8.190 nan 0.000 0.451 157 V N -0.057 119.909 119.914 0.086 0.000 2.358 157 V HA -0.253 3.868 4.120 0.001 0.000 0.246 157 V C 2.463 178.565 176.094 0.015 0.000 1.047 157 V CA 2.152 64.489 62.300 0.062 0.000 1.035 157 V CB -0.582 31.273 31.823 0.053 0.000 0.658 157 V HN 0.700 nan 8.190 nan 0.000 0.452 158 E N -0.170 120.007 120.200 -0.039 0.000 2.049 158 E HA -0.303 4.048 4.350 0.001 0.000 0.198 158 E C 2.211 178.707 176.600 -0.173 0.000 1.007 158 E CA 1.932 58.246 56.400 -0.143 0.000 0.809 158 E CB -0.225 29.323 29.700 -0.252 0.000 0.749 158 E HN 0.703 nan 8.360 nan 0.000 0.450 159 H N -0.125 118.949 119.070 0.007 0.000 2.389 159 H HA -0.042 4.514 4.556 0.001 0.000 0.299 159 H C 2.342 177.676 175.328 0.011 0.000 1.081 159 H CA 1.350 57.401 56.048 0.005 0.000 1.345 159 H CB -0.157 29.604 29.762 -0.001 0.000 1.393 159 H HN 0.187 nan 8.280 nan 0.000 0.520 160 R N 0.576 121.145 120.500 0.115 0.000 2.081 160 R HA -0.058 4.283 4.340 0.001 0.000 0.235 160 R C 2.387 178.718 176.300 0.051 0.000 1.131 160 R CA 0.718 56.865 56.100 0.077 0.000 0.960 160 R CB -0.031 30.314 30.300 0.074 0.000 0.856 160 R HN 0.213 nan 8.270 nan 0.000 0.436 161 L N -0.416 120.825 121.223 0.030 0.000 2.156 161 L HA -0.061 4.280 4.340 0.001 0.000 0.208 161 L C 2.472 179.355 176.870 0.022 0.000 1.095 161 L CA 0.953 55.805 54.840 0.020 0.000 0.770 161 L CB -0.309 41.752 42.059 0.003 0.000 0.914 161 L HN 0.160 nan 8.230 nan 0.000 0.439 162 R N 0.260 120.768 120.500 0.013 0.000 2.096 162 R HA -0.106 4.235 4.340 0.001 0.000 0.235 162 R C 2.366 178.692 176.300 0.044 0.000 1.127 162 R CA 1.242 57.355 56.100 0.022 0.000 0.968 162 R CB -0.364 29.944 30.300 0.014 0.000 0.861 162 R HN 0.316 nan 8.270 nan 0.000 0.440 163 A N 1.613 124.465 122.820 0.054 0.000 2.121 163 A HA -0.157 4.163 4.320 0.001 0.000 0.218 163 A C 1.652 179.262 177.584 0.042 0.000 1.154 163 A CA 1.225 53.292 52.037 0.050 0.000 0.679 163 A CB -0.223 18.808 19.000 0.051 0.000 0.795 163 A HN 0.416 nan 8.150 nan 0.000 0.458 164 R N -1.121 119.405 120.500 0.043 0.000 2.600 164 R HA 0.300 4.640 4.340 0.001 0.000 0.392 164 R C 1.270 177.596 176.300 0.044 0.000 1.032 164 R CA 0.342 56.469 56.100 0.045 0.000 1.139 164 R CB -0.522 29.809 30.300 0.053 0.000 1.400 164 R HN 0.441 nan 8.270 nan 0.000 0.566 165 Q N 1.067 120.892 119.800 0.042 0.000 2.096 165 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 165 Q C 1.275 177.300 176.000 0.042 0.000 0.982 165 Q CA 1.714 57.544 55.803 0.045 0.000 0.850 165 Q CB 0.212 28.980 28.738 0.049 0.000 0.901 165 Q HN 0.364 nan 8.270 nan 0.000 0.422 166 Q N 0.334 120.155 119.800 0.036 0.000 2.137 166 Q HA -0.100 4.240 4.340 0.001 0.000 0.198 166 Q C 1.767 177.778 176.000 0.017 0.000 0.960 166 Q CA 1.124 56.943 55.803 0.026 0.000 0.847 166 Q CB -0.188 28.564 28.738 0.023 0.000 0.915 166 Q HN 0.361 nan 8.270 nan 0.000 0.448 167 K N 0.740 121.153 120.400 0.022 0.000 2.063 167 K HA -0.250 4.070 4.320 0.001 0.000 0.208 167 K C 2.066 178.671 176.600 0.009 0.000 1.048 167 K CA 1.572 57.870 56.287 0.018 0.000 0.928 167 K CB 0.153 32.673 32.500 0.033 0.000 0.713 167 K HN -0.038 nan 8.250 nan 0.000 0.442 168 Q N 0.404 120.219 119.800 0.025 0.000 2.119 168 Q HA -0.048 4.293 4.340 0.001 0.000 0.201 168 Q C 1.715 177.709 176.000 -0.010 0.000 0.972 168 Q CA 1.832 57.647 55.803 0.020 0.000 0.847 168 Q CB -0.328 28.441 28.738 0.051 0.000 0.903 168 Q HN 0.401 nan 8.270 nan 0.000 0.433 169 A N 0.558 123.379 122.820 0.001 0.000 1.908 169 A HA -0.235 4.085 4.320 0.001 0.000 0.218 169 A C 1.977 179.546 177.584 -0.024 0.000 1.181 169 A CA 1.833 53.866 52.037 -0.006 0.000 0.627 169 A CB -0.450 18.550 19.000 0.001 0.000 0.818 169 A HN 0.402 nan 8.150 nan 0.000 0.445 170 K N -0.569 119.814 120.400 -0.028 0.000 2.057 170 K HA 0.014 4.335 4.320 0.001 0.000 0.206 170 K C 1.878 178.435 176.600 -0.072 0.000 1.050 170 K CA 1.219 57.483 56.287 -0.039 0.000 0.935 170 K CB -0.359 32.124 32.500 -0.028 0.000 0.715 170 K HN 0.452 nan 8.250 nan 0.000 0.439 171 L N 0.657 121.816 121.223 -0.107 0.000 2.017 171 L HA -0.209 4.131 4.340 0.001 0.000 0.208 171 L C 2.475 179.227 176.870 -0.197 0.000 1.073 171 L CA 1.416 56.131 54.840 -0.209 0.000 0.745 171 L CB -0.815 41.032 42.059 -0.353 0.000 0.894 171 L HN 0.202 nan 8.230 nan 0.000 0.432 172 T N -0.963 113.507 114.554 -0.138 0.000 2.635 172 T HA -0.276 4.074 4.350 0.001 0.000 0.267 172 T C 1.791 176.450 174.700 -0.068 0.000 1.040 172 T CA 1.855 63.893 62.100 -0.104 0.000 1.156 172 T CB -0.219 68.621 68.868 -0.045 0.000 0.863 172 T HN 0.273 nan 8.240 nan 0.000 0.430 173 E N 1.321 121.493 120.200 -0.047 0.000 2.118 173 E HA -0.153 4.197 4.350 0.001 0.000 0.195 173 E C 1.495 178.068 176.600 -0.044 0.000 0.992 173 E CA 1.222 57.601 56.400 -0.035 0.000 0.804 173 E CB -0.369 29.313 29.700 -0.030 0.000 0.741 173 E HN 0.309 nan 8.360 nan 0.000 0.458 174 D N -0.955 119.408 120.400 -0.062 0.000 2.378 174 D HA 0.076 4.717 4.640 0.001 0.000 0.227 174 D C 0.792 177.059 176.300 -0.056 0.000 1.012 174 D CA 1.077 55.043 54.000 -0.057 0.000 0.905 174 D CB 0.148 40.906 40.800 -0.071 0.000 0.895 174 D HN 0.364 nan 8.370 nan 0.000 0.532 175 G N 0.347 109.102 108.800 -0.076 0.000 2.130 175 G HA2 -0.237 3.723 3.960 0.001 0.000 0.216 175 G HA3 -0.237 3.723 3.960 0.001 0.000 0.216 175 G C 0.118 174.961 174.900 -0.095 0.000 0.999 175 G CA -0.317 44.739 45.100 -0.073 0.000 0.686 175 G HN 0.346 nan 8.290 nan 0.000 0.515 176 L N 0.824 121.948 121.223 -0.166 0.000 2.581 176 L HA 0.339 4.679 4.340 0.001 0.000 0.241 176 L C -2.290 174.484 176.870 -0.161 0.000 1.265 176 L CA -1.995 52.735 54.840 -0.183 0.000 0.954 176 L CB 1.564 43.319 42.059 -0.506 0.000 1.269 176 L HN -0.078 nan 8.230 nan 0.000 0.475 177 P HA 0.188 nan 4.420 nan 0.000 0.274 177 P C -0.933 176.454 177.300 0.145 0.000 1.246 177 P CA -0.451 62.551 63.100 -0.164 0.000 0.795 177 P CB 0.996 32.350 31.700 -0.576 0.000 1.006 178 L N 0.915 122.150 121.223 0.021 0.000 2.356 178 L HA 0.765 5.105 4.340 0.001 0.000 0.277 178 L C -0.209 176.499 176.870 -0.271 0.000 0.996 178 L CA -0.201 54.645 54.840 0.009 0.000 0.822 178 L CB 1.098 43.173 42.059 0.026 0.000 1.256 178 L HN 0.472 nan 8.230 nan 0.000 0.413 179 G N 3.897 112.423 108.800 -0.457 0.000 2.420 179 G HA2 0.626 4.586 3.960 0.001 0.000 0.331 179 G HA3 0.626 4.586 3.960 0.001 0.000 0.331 179 G C -1.653 172.968 174.900 -0.465 0.000 1.168 179 G CA -0.526 43.916 45.100 -1.096 0.000 0.936 179 G HN 0.490 nan 8.290 nan 0.000 0.479 180 V N 2.627 122.329 119.914 -0.352 0.000 2.444 180 V HA 0.319 4.439 4.120 0.001 0.000 0.294 180 V C -0.347 175.729 176.094 -0.030 0.000 1.022 180 V CA -1.271 60.951 62.300 -0.130 0.000 0.850 180 V CB 1.539 33.317 31.823 -0.074 0.000 0.992 180 V HN 0.745 nan 8.190 nan 0.000 0.426 181 N N 5.210 123.922 118.700 0.019 0.000 2.419 181 N HA 0.411 5.152 4.740 0.001 0.000 0.264 181 N C -1.021 174.563 175.510 0.123 0.000 1.031 181 N CA -0.272 52.836 53.050 0.097 0.000 0.951 181 N CB 1.201 39.752 38.487 0.107 0.000 1.101 181 N HN 0.601 nan 8.380 nan 0.000 0.488 182 L N 2.556 123.882 121.223 0.172 0.000 2.282 182 L HA 0.528 4.869 4.340 0.001 0.000 0.288 182 L C 1.200 178.248 176.870 0.296 0.000 1.033 182 L CA -0.772 54.192 54.840 0.207 0.000 0.807 182 L CB 1.608 43.819 42.059 0.253 0.000 1.209 182 L HN 0.475 nan 8.230 nan 0.000 0.423 183 G N 2.638 111.534 108.800 0.160 0.000 2.938 183 G HA2 0.685 4.645 3.960 0.001 0.000 0.258 183 G HA3 0.685 4.645 3.960 0.001 0.000 0.258 183 G C -1.220 173.498 174.900 -0.303 0.000 1.356 183 G CA -0.548 44.567 45.100 0.024 0.000 1.052 183 G HN 0.617 nan 8.290 nan 0.000 0.550 184 K N -0.914 119.215 120.400 -0.451 0.000 2.435 184 K HA 0.419 4.740 4.320 0.001 0.000 0.251 184 K C -0.932 175.476 176.600 -0.321 0.000 0.954 184 K CA -0.878 55.127 56.287 -0.469 0.000 0.820 184 K CB 1.963 34.113 32.500 -0.583 0.000 1.292 184 K HN 0.394 nan 8.250 nan 0.000 0.436 185 N N 1.374 119.946 118.700 -0.214 0.000 2.479 185 N HA -0.024 4.716 4.740 0.001 0.000 0.257 185 N C 0.635 176.072 175.510 -0.122 0.000 1.232 185 N CA -0.173 52.800 53.050 -0.129 0.000 0.920 185 N CB 0.970 39.408 38.487 -0.083 0.000 1.105 185 N HN 0.615 nan 8.380 nan 0.000 0.444 186 K N 0.335 120.693 120.400 -0.069 0.000 2.044 186 K HA -0.186 4.135 4.320 0.001 0.000 0.210 186 K C 1.056 177.634 176.600 -0.035 0.000 1.049 186 K CA 1.741 58.005 56.287 -0.039 0.000 0.927 186 K CB -0.130 32.376 32.500 0.010 0.000 0.713 186 K HN 0.775 nan 8.250 nan 0.000 0.443 187 T N -1.836 112.699 114.554 -0.031 0.000 3.145 187 T HA 0.105 4.456 4.350 0.001 0.000 0.255 187 T C 0.467 175.146 174.700 -0.034 0.000 1.039 187 T CA -0.352 61.734 62.100 -0.024 0.000 0.928 187 T CB 0.373 69.233 68.868 -0.013 0.000 1.029 187 T HN 0.044 nan 8.240 nan 0.000 0.554 188 S N 0.667 116.334 115.700 -0.055 0.000 2.546 188 S HA 0.122 4.592 4.470 0.001 0.000 0.290 188 S C 1.330 175.902 174.600 -0.047 0.000 1.290 188 S CA -0.547 57.614 58.200 -0.065 0.000 1.069 188 S CB 0.414 63.549 63.200 -0.107 0.000 0.846 188 S HN 0.268 nan 8.310 nan 0.000 0.495 189 V N 3.388 123.280 119.914 -0.036 0.000 2.788 189 V HA 0.111 4.231 4.120 0.001 0.000 0.251 189 V C 0.790 176.872 176.094 -0.020 0.000 1.068 189 V CA 1.253 63.539 62.300 -0.023 0.000 1.090 189 V CB -0.277 31.536 31.823 -0.017 0.000 0.710 189 V HN 0.861 nan 8.190 nan 0.000 0.467 190 D N -0.835 119.548 120.400 -0.029 0.000 2.346 190 D HA 0.490 5.130 4.640 0.001 0.000 0.255 190 D C 0.799 177.080 176.300 -0.033 0.000 1.276 190 D CA 0.350 54.339 54.000 -0.018 0.000 0.941 190 D CB 1.578 42.371 40.800 -0.012 0.000 1.199 190 D HN 0.054 nan 8.370 nan 0.000 0.537 191 A N 3.215 126.026 122.820 -0.016 0.000 1.883 191 A HA -0.079 4.241 4.320 0.001 0.000 0.217 191 A C 2.136 179.750 177.584 0.049 0.000 1.186 191 A CA 2.074 54.097 52.037 -0.022 0.000 0.624 191 A CB -0.534 18.513 19.000 0.077 0.000 0.822 191 A HN 0.596 nan 8.150 nan 0.000 0.444 192 A N -0.576 122.319 122.820 0.125 0.000 1.908 192 A HA -0.182 4.138 4.320 0.001 0.000 0.218 192 A C 1.982 179.634 177.584 0.113 0.000 1.181 192 A CA 2.246 54.389 52.037 0.177 0.000 0.627 192 A CB -0.485 18.577 19.000 0.104 0.000 0.818 192 A HN 0.529 nan 8.150 nan 0.000 0.445 193 E N 0.454 120.674 120.200 0.034 0.000 2.106 193 E HA -0.154 4.196 4.350 0.001 0.000 0.192 193 E C 1.359 177.938 176.600 -0.036 0.000 0.984 193 E CA 1.498 57.901 56.400 0.005 0.000 0.806 193 E CB -0.338 29.357 29.700 -0.008 0.000 0.750 193 E HN 0.551 nan 8.360 nan 0.000 0.458 194 D N -0.825 119.503 120.400 -0.121 0.000 2.104 194 D HA -0.187 4.454 4.640 0.001 0.000 0.194 194 D C 1.703 177.875 176.300 -0.213 0.000 0.994 194 D CA 1.352 55.215 54.000 -0.227 0.000 0.830 194 D CB -0.406 40.154 40.800 -0.400 0.000 0.959 194 D HN 0.376 nan 8.370 nan 0.000 0.452 195 Y N 0.824 121.118 120.300 -0.011 0.000 2.200 195 Y HA -0.096 4.455 4.550 0.000 0.000 0.290 195 Y C 2.509 178.412 175.900 0.005 0.000 1.137 195 Y CA 0.840 58.940 58.100 -0.001 0.000 1.163 195 Y CB -0.385 38.077 38.460 0.003 0.000 0.988 195 Y HN -0.076 nan 8.280 nan 0.000 0.518 196 A N 0.473 123.381 122.820 0.147 0.000 1.908 196 A HA -0.274 4.047 4.320 0.001 0.000 0.218 196 A C 1.999 179.613 177.584 0.050 0.000 1.181 196 A CA 2.108 54.195 52.037 0.085 0.000 0.627 196 A CB -0.711 18.325 19.000 0.060 0.000 0.818 196 A HN 0.539 nan 8.150 nan 0.000 0.445 197 E N -0.914 119.300 120.200 0.024 0.000 2.058 197 E HA -0.140 4.210 4.350 0.001 0.000 0.194 197 E C 2.195 178.801 176.600 0.011 0.000 0.997 197 E CA 0.890 57.292 56.400 0.004 0.000 0.801 197 E CB -0.431 29.258 29.700 -0.018 0.000 0.746 197 E HN 0.618 nan 8.360 nan 0.000 0.450 198 G N 0.770 109.584 108.800 0.023 0.000 2.440 198 G HA2 -0.257 3.703 3.960 0.001 0.000 0.218 198 G HA3 -0.257 3.703 3.960 0.001 0.000 0.218 198 G C 1.733 176.660 174.900 0.045 0.000 1.154 198 G CA 0.897 46.019 45.100 0.036 0.000 0.767 198 G HN 0.129 nan 8.290 nan 0.000 0.552 199 V N 0.685 120.638 119.914 0.064 0.000 2.255 199 V HA -0.212 3.909 4.120 0.001 0.000 0.247 199 V C 2.951 179.065 176.094 0.032 0.000 1.051 199 V CA 2.182 64.517 62.300 0.057 0.000 1.018 199 V CB -0.494 31.369 31.823 0.067 0.000 0.641 199 V HN 0.329 nan 8.190 nan 0.000 0.445 200 R N -0.603 119.910 120.500 0.022 0.000 2.081 200 R HA -0.109 4.231 4.340 0.001 0.000 0.235 200 R C 2.178 178.467 176.300 -0.018 0.000 1.131 200 R CA 1.526 57.627 56.100 0.003 0.000 0.960 200 R CB -0.441 29.860 30.300 0.001 0.000 0.856 200 R HN 0.432 nan 8.270 nan 0.000 0.436 201 V N 0.800 120.703 119.914 -0.018 0.000 2.331 201 V HA -0.113 4.007 4.120 0.001 0.000 0.242 201 V C 2.080 178.147 176.094 -0.046 0.000 1.034 201 V CA 1.409 63.685 62.300 -0.041 0.000 1.027 201 V CB -0.189 31.611 31.823 -0.039 0.000 0.667 201 V HN 0.250 nan 8.190 nan 0.000 0.457 202 L N -0.004 121.207 121.223 -0.021 0.000 2.513 202 L HA 0.233 4.573 4.340 0.001 0.000 0.222 202 L C 2.528 179.396 176.870 -0.003 0.000 1.096 202 L CA 0.847 55.675 54.840 -0.019 0.000 0.857 202 L CB -0.811 41.243 42.059 -0.009 0.000 1.026 202 L HN 0.443 nan 8.230 nan 0.000 0.469 203 G N 1.952 110.760 108.800 0.012 0.000 2.476 203 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 203 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 203 G C -0.796 174.137 174.900 0.055 0.000 1.164 203 G CA 0.790 45.912 45.100 0.037 0.000 0.768 203 G HN 0.309 nan 8.290 nan 0.000 0.560 204 P HA 0.041 nan 4.420 nan 0.000 0.225 204 P C 1.412 178.800 177.300 0.147 0.000 1.148 204 P CA 0.709 63.844 63.100 0.059 0.000 0.779 204 P CB -0.016 31.544 31.700 -0.233 0.000 0.780 205 L N -2.749 118.507 121.223 0.055 0.000 2.640 205 L HA 0.312 4.652 4.340 0.001 0.000 0.230 205 L C 0.948 177.836 176.870 0.030 0.000 1.123 205 L CA -0.349 54.520 54.840 0.049 0.000 0.900 205 L CB -0.001 42.059 42.059 0.002 0.000 1.146 205 L HN -0.160 nan 8.230 nan 0.000 0.484 206 A N -0.806 122.028 122.820 0.024 0.000 2.340 206 A HA 0.381 4.702 4.320 0.001 0.000 0.331 206 A C 0.103 177.677 177.584 -0.016 0.000 1.140 206 A CA -0.546 51.471 52.037 -0.033 0.000 0.801 206 A CB 0.873 19.837 19.000 -0.061 0.000 1.234 206 A HN 0.020 nan 8.150 nan 0.000 0.469 207 D N -0.356 119.982 120.400 -0.104 0.000 2.194 207 D HA 0.069 4.709 4.640 0.001 0.000 0.204 207 D C -0.115 176.216 176.300 0.051 0.000 0.964 207 D CA 2.023 55.929 54.000 -0.157 0.000 0.846 207 D CB 0.055 40.539 40.800 -0.527 0.000 0.962 207 D HN 0.661 nan 8.370 nan 0.000 0.490 208 Y N -1.349 118.946 120.300 -0.008 0.000 2.571 208 Y HA 0.589 5.139 4.550 0.000 0.000 0.341 208 Y C -1.472 174.465 175.900 0.063 0.000 1.076 208 Y CA -1.322 56.810 58.100 0.053 0.000 1.029 208 Y CB 0.874 39.378 38.460 0.074 0.000 1.308 208 Y HN -0.349 nan 8.280 nan 0.000 0.461 209 L N 3.248 124.614 121.223 0.240 0.000 2.330 209 L HA 0.844 5.185 4.340 0.001 0.000 0.271 209 L C -0.991 176.030 176.870 0.251 0.000 1.013 209 L CA -1.486 53.448 54.840 0.158 0.000 0.816 209 L CB 2.120 44.246 42.059 0.112 0.000 1.287 209 L HN 0.612 nan 8.230 nan 0.000 0.435 210 V N 2.229 122.258 119.914 0.193 0.000 2.588 210 V HA 0.417 4.537 4.120 0.001 0.000 0.304 210 V C -0.333 175.825 176.094 0.107 0.000 1.042 210 V CA -0.715 61.690 62.300 0.176 0.000 0.877 210 V CB 2.113 34.070 31.823 0.223 0.000 0.996 210 V HN 0.391 nan 8.190 nan 0.000 0.425 211 V N 3.755 123.680 119.914 0.019 0.000 2.347 211 V HA 0.378 4.499 4.120 0.001 0.000 0.280 211 V C 0.011 176.060 176.094 -0.075 0.000 1.021 211 V CA -0.731 61.490 62.300 -0.132 0.000 0.847 211 V CB 1.525 33.138 31.823 -0.351 0.000 0.990 211 V HN 0.855 nan 8.190 nan 0.000 0.444 212 N N 3.607 122.322 118.700 0.025 0.000 2.405 212 N HA 0.135 4.875 4.740 0.001 0.000 0.260 212 N C 0.431 175.956 175.510 0.026 0.000 1.152 212 N CA -0.044 53.056 53.050 0.082 0.000 0.948 212 N CB 1.628 40.244 38.487 0.216 0.000 1.111 212 N HN 0.431 nan 8.380 nan 0.000 0.485 213 V N 1.331 121.249 119.914 0.007 0.000 3.415 213 V HA 0.009 4.129 4.120 0.001 0.000 0.325 213 V C 1.235 177.361 176.094 0.054 0.000 1.313 213 V CA 0.679 62.984 62.300 0.009 0.000 1.228 213 V CB -0.983 30.831 31.823 -0.016 0.000 1.131 213 V HN 0.797 nan 8.190 nan 0.000 0.433 214 S N -3.048 112.708 115.700 0.093 0.000 2.661 214 S HA 0.128 4.598 4.470 0.001 0.000 0.275 214 S C 0.798 175.486 174.600 0.146 0.000 1.075 214 S CA 0.212 58.474 58.200 0.105 0.000 1.251 214 S CB 0.282 63.535 63.200 0.090 0.000 1.167 214 S HN 0.319 nan 8.310 nan 0.000 0.648 215 S N 4.473 120.311 115.700 0.230 0.000 2.533 215 S HA 0.438 4.908 4.470 0.001 0.000 0.282 215 S C -1.510 173.229 174.600 0.231 0.000 1.304 215 S CA -0.817 57.565 58.200 0.304 0.000 1.063 215 S CB -0.049 63.586 63.200 0.726 0.000 0.881 215 S HN 0.472 nan 8.310 nan 0.000 0.493 227 K N 0.709 121.112 120.400 0.006 0.000 2.166 227 K HA 0.367 4.688 4.320 0.001 0.000 0.201 227 K C 2.487 179.088 176.600 0.003 0.000 1.052 227 K CA 1.357 57.646 56.287 0.004 0.000 0.969 227 K CB -0.091 32.411 32.500 0.003 0.000 0.761 227 K HN 0.305 nan 8.250 nan 0.000 0.459 228 A N 1.450 124.273 122.820 0.004 0.000 2.019 228 A HA -0.152 4.169 4.320 0.001 0.000 0.219 228 A C 1.722 179.310 177.584 0.006 0.000 1.164 228 A CA 1.432 53.472 52.037 0.005 0.000 0.644 228 A CB -0.325 18.678 19.000 0.005 0.000 0.805 228 A HN 0.469 nan 8.150 nan 0.000 0.449 229 E N -0.857 119.347 120.200 0.008 0.000 2.072 229 E HA -0.129 4.221 4.350 0.001 0.000 0.190 229 E C 1.937 178.542 176.600 0.009 0.000 0.982 229 E CA 1.060 57.467 56.400 0.011 0.000 0.803 229 E CB -0.212 29.497 29.700 0.015 0.000 0.755 229 E HN 0.524 nan 8.360 nan 0.000 0.453 230 L N 1.459 122.685 121.223 0.003 0.000 2.046 230 L HA -0.168 4.172 4.340 0.001 0.000 0.208 230 L C 2.351 179.215 176.870 -0.009 0.000 1.077 230 L CA 1.730 56.566 54.840 -0.007 0.000 0.747 230 L CB -0.271 41.783 42.059 -0.009 0.000 0.896 230 L HN -0.069 nan 8.230 nan 0.000 0.432 231 R N -0.516 119.982 120.500 -0.004 0.000 2.091 231 R HA -0.228 4.113 4.340 0.001 0.000 0.238 231 R C 2.571 178.871 176.300 -0.000 0.000 1.136 231 R CA 1.800 57.898 56.100 -0.004 0.000 0.959 231 R CB -0.301 29.998 30.300 -0.001 0.000 0.856 231 R HN 0.412 nan 8.270 nan 0.000 0.437 232 R N 0.484 120.987 120.500 0.005 0.000 2.073 232 R HA -0.175 4.166 4.340 0.001 0.000 0.234 232 R C 2.432 178.741 176.300 0.014 0.000 1.134 232 R CA 1.824 57.930 56.100 0.010 0.000 0.952 232 R CB -0.450 29.859 30.300 0.014 0.000 0.850 232 R HN 0.309 nan 8.270 nan 0.000 0.433 233 L N 0.806 122.036 121.223 0.013 0.000 2.017 233 L HA -0.105 4.235 4.340 0.001 0.000 0.208 233 L C 1.931 178.799 176.870 -0.003 0.000 1.073 233 L CA 1.740 56.590 54.840 0.017 0.000 0.745 233 L CB -0.394 41.670 42.059 0.010 0.000 0.894 233 L HN 0.245 nan 8.230 nan 0.000 0.432 234 L N -0.868 120.342 121.223 -0.021 0.000 2.156 234 L HA -0.118 4.222 4.340 0.001 0.000 0.208 234 L C 2.374 179.240 176.870 -0.006 0.000 1.095 234 L CA 1.278 56.102 54.840 -0.027 0.000 0.770 234 L CB -1.041 40.998 42.059 -0.033 0.000 0.914 234 L HN 0.298 nan 8.230 nan 0.000 0.439 235 T N -0.254 114.300 114.554 0.001 0.000 2.720 235 T HA -0.266 4.084 4.350 0.001 0.000 0.268 235 T C 1.932 176.640 174.700 0.014 0.000 1.037 235 T CA 1.709 63.813 62.100 0.007 0.000 1.144 235 T CB -0.083 68.789 68.868 0.007 0.000 0.864 235 T HN 0.247 nan 8.240 nan 0.000 0.444 236 K N 0.599 121.011 120.400 0.020 0.000 2.025 236 K HA -0.061 4.259 4.320 0.001 0.000 0.207 236 K C 2.231 178.852 176.600 0.035 0.000 1.049 236 K CA 0.965 57.270 56.287 0.029 0.000 0.933 236 K CB -0.355 32.168 32.500 0.039 0.000 0.714 236 K HN 0.102 nan 8.250 nan 0.000 0.438 237 V N 1.840 121.775 119.914 0.035 0.000 2.255 237 V HA -0.290 3.831 4.120 0.001 0.000 0.247 237 V C 2.328 178.442 176.094 0.034 0.000 1.051 237 V CA 1.875 64.198 62.300 0.039 0.000 1.018 237 V CB -0.426 31.406 31.823 0.014 0.000 0.641 237 V HN 0.347 nan 8.190 nan 0.000 0.445 238 L N -0.429 120.808 121.223 0.023 0.000 2.131 238 L HA -0.234 4.106 4.340 0.001 0.000 0.210 238 L C 2.622 179.507 176.870 0.026 0.000 1.092 238 L CA 1.830 56.684 54.840 0.024 0.000 0.759 238 L CB -0.551 41.517 42.059 0.016 0.000 0.903 238 L HN 0.452 nan 8.230 nan 0.000 0.435 239 Q N -0.077 119.737 119.800 0.024 0.000 2.123 239 Q HA -0.195 4.145 4.340 0.001 0.000 0.199 239 Q C 2.025 178.041 176.000 0.027 0.000 0.966 239 Q CA 1.100 56.917 55.803 0.023 0.000 0.845 239 Q CB 0.212 28.962 28.738 0.020 0.000 0.907 239 Q HN 0.370 nan 8.270 nan 0.000 0.439 240 E N 0.549 120.767 120.200 0.031 0.000 2.110 240 E HA -0.179 4.171 4.350 0.001 0.000 0.193 240 E C 1.946 178.568 176.600 0.037 0.000 0.988 240 E CA 0.696 57.116 56.400 0.033 0.000 0.804 240 E CB -0.259 29.465 29.700 0.039 0.000 0.745 240 E HN 0.259 nan 8.360 nan 0.000 0.458 241 R N 1.249 121.774 120.500 0.042 0.000 2.075 241 R HA -0.124 4.216 4.340 0.001 0.000 0.232 241 R C 1.172 177.500 176.300 0.046 0.000 1.126 241 R CA 1.310 57.439 56.100 0.049 0.000 0.963 241 R CB -0.239 30.093 30.300 0.053 0.000 0.858 241 R HN 0.056 nan 8.270 nan 0.000 0.435 242 D N -0.680 119.742 120.400 0.037 0.000 2.264 242 D HA -0.062 4.578 4.640 0.001 0.000 0.208 242 D C 1.503 177.822 176.300 0.031 0.000 0.966 242 D CA 1.251 55.270 54.000 0.033 0.000 0.864 242 D CB -0.340 40.475 40.800 0.025 0.000 0.933 242 D HN 0.473 nan 8.370 nan 0.000 0.499 243 G N -0.051 108.767 108.800 0.031 0.000 2.744 243 G HA2 0.055 4.015 3.960 0.001 0.000 0.211 243 G HA3 0.055 4.015 3.960 0.001 0.000 0.211 243 G C 0.752 175.671 174.900 0.033 0.000 1.143 243 G CA -0.120 44.996 45.100 0.028 0.000 0.788 243 G HN 0.182 nan 8.290 nan 0.000 0.534 244 L N 0.261 121.510 121.223 0.043 0.000 2.439 244 L HA 0.370 4.710 4.340 0.001 0.000 0.261 244 L C 0.791 177.704 176.870 0.072 0.000 1.153 244 L CA -0.913 53.962 54.840 0.058 0.000 0.808 244 L CB 0.793 42.898 42.059 0.075 0.000 1.126 244 L HN 0.026 nan 8.230 nan 0.000 0.460 245 R N 0.820 121.378 120.500 0.098 0.000 2.643 245 R HA 0.055 4.396 4.340 0.001 0.000 0.270 245 R C 1.226 177.580 176.300 0.090 0.000 1.061 245 R CA -0.173 55.988 56.100 0.101 0.000 1.107 245 R CB 0.500 30.883 30.300 0.139 0.000 0.999 245 R HN 0.516 nan 8.270 nan 0.000 0.460 246 R N 1.008 121.533 120.500 0.042 0.000 2.103 246 R HA -0.178 4.162 4.340 0.001 0.000 0.242 246 R C 1.836 178.122 176.300 -0.023 0.000 1.142 246 R CA 1.907 58.014 56.100 0.012 0.000 0.960 246 R CB -0.698 29.602 30.300 0.000 0.000 0.858 246 R HN 0.531 nan 8.270 nan 0.000 0.439 247 V N -1.866 117.998 119.914 -0.083 0.000 2.970 247 V HA -0.078 4.042 4.120 0.001 0.000 0.260 247 V C 1.111 177.030 176.094 -0.292 0.000 1.100 247 V CA 1.407 63.583 62.300 -0.206 0.000 1.122 247 V CB -0.576 31.070 31.823 -0.294 0.000 0.721 247 V HN 0.282 nan 8.190 nan 0.000 0.483 248 H N 0.944 120.030 119.070 0.027 0.000 2.488 248 H HA 0.461 5.018 4.556 0.001 0.000 0.294 248 H C 0.128 175.480 175.328 0.039 0.000 1.088 248 H CA -0.172 55.895 56.048 0.030 0.000 1.086 248 H CB 0.227 30.001 29.762 0.020 0.000 1.569 248 H HN 0.447 nan 8.280 nan 0.000 0.548 249 R N 2.640 123.207 120.500 0.112 0.000 2.239 249 R HA 0.230 4.570 4.340 0.001 0.000 0.332 249 R C -2.395 173.976 176.300 0.118 0.000 0.988 249 R CA -1.510 54.651 56.100 0.101 0.000 0.859 249 R CB 1.362 31.704 30.300 0.070 0.000 1.148 249 R HN 0.170 nan 8.270 nan 0.000 0.482 250 P HA 0.192 nan 4.420 nan 0.000 0.279 250 P C -0.753 176.645 177.300 0.163 0.000 1.252 250 P CA -0.529 62.667 63.100 0.161 0.000 0.811 250 P CB 1.030 32.807 31.700 0.129 0.000 1.035 251 A N 1.388 124.337 122.820 0.215 0.000 2.445 251 A HA 0.373 4.693 4.320 0.001 0.000 0.242 251 A C -0.080 177.607 177.584 0.171 0.000 1.075 251 A CA -0.242 51.902 52.037 0.178 0.000 0.777 251 A CB -0.116 19.002 19.000 0.196 0.000 1.013 251 A HN 0.360 nan 8.150 nan 0.000 0.493 252 V N 3.189 123.169 119.914 0.111 0.000 2.384 252 V HA 0.443 4.563 4.120 0.001 0.000 0.287 252 V C -0.472 175.660 176.094 0.063 0.000 1.020 252 V CA -0.206 62.151 62.300 0.096 0.000 0.850 252 V CB 0.919 32.778 31.823 0.061 0.000 0.987 252 V HN 0.722 nan 8.190 nan 0.000 0.436 253 L N 5.012 126.282 121.223 0.078 0.000 2.333 253 L HA 0.700 5.040 4.340 0.001 0.000 0.269 253 L C -0.319 176.568 176.870 0.028 0.000 1.010 253 L CA -0.551 54.307 54.840 0.031 0.000 0.818 253 L CB 2.196 44.253 42.059 -0.003 0.000 1.306 253 L HN 0.345 nan 8.230 nan 0.000 0.430 254 V N 1.470 121.386 119.914 0.004 0.000 2.459 254 V HA 0.431 4.552 4.120 0.001 0.000 0.295 254 V C -0.210 175.893 176.094 0.015 0.000 1.029 254 V CA -0.844 61.452 62.300 -0.006 0.000 0.874 254 V CB 1.669 33.477 31.823 -0.025 0.000 0.985 254 V HN 0.632 nan 8.190 nan 0.000 0.438 255 K N 5.840 126.258 120.400 0.030 0.000 2.213 255 K HA 0.672 4.992 4.320 0.001 0.000 0.270 255 K C -0.627 176.002 176.600 0.048 0.000 1.002 255 K CA -0.525 55.793 56.287 0.052 0.000 0.868 255 K CB 1.107 33.659 32.500 0.087 0.000 1.093 255 K HN 0.773 nan 8.250 nan 0.000 0.454 256 I N 0.682 121.279 120.570 0.045 0.000 2.648 256 I HA 0.655 4.826 4.170 0.001 0.000 0.304 256 I C -0.214 175.933 176.117 0.050 0.000 1.009 256 I CA -1.107 60.218 61.300 0.042 0.000 1.114 256 I CB 1.999 40.017 38.000 0.030 0.000 1.293 256 I HN 0.591 nan 8.210 nan 0.000 0.449 257 A N 4.666 127.516 122.820 0.050 0.000 2.313 257 A HA 0.595 4.916 4.320 0.001 0.000 0.261 257 A C -1.847 175.761 177.584 0.040 0.000 1.090 257 A CA -1.389 50.678 52.037 0.050 0.000 0.807 257 A CB -0.359 18.672 19.000 0.052 0.000 1.055 257 A HN 0.757 nan 8.150 nan 0.000 0.492 258 P HA 0.078 nan 4.420 nan 0.000 0.255 258 P C -0.315 177.001 177.300 0.027 0.000 1.248 258 P CA 0.563 63.681 63.100 0.030 0.000 0.807 258 P CB 0.292 32.008 31.700 0.028 0.000 1.150 259 D N -0.243 120.174 120.400 0.028 0.000 2.368 259 D HA 0.140 4.780 4.640 0.001 0.000 0.218 259 D C 0.773 177.088 176.300 0.024 0.000 1.112 259 D CA -0.023 53.992 54.000 0.025 0.000 0.834 259 D CB 0.406 41.222 40.800 0.026 0.000 0.953 259 D HN 0.237 nan 8.370 nan 0.000 0.505 260 L N 1.467 122.705 121.223 0.025 0.000 2.439 260 L HA 0.122 4.462 4.340 0.001 0.000 0.269 260 L C 1.511 178.393 176.870 0.020 0.000 1.179 260 L CA -0.268 54.586 54.840 0.023 0.000 0.828 260 L CB 0.451 42.524 42.059 0.024 0.000 1.106 260 L HN -0.028 nan 8.230 nan 0.000 0.467 261 T N -1.269 113.295 114.554 0.018 0.000 2.748 261 T HA 0.049 4.399 4.350 0.001 0.000 0.304 261 T C 1.228 175.938 174.700 0.016 0.000 1.041 261 T CA -0.429 61.680 62.100 0.015 0.000 1.033 261 T CB 0.918 69.794 68.868 0.014 0.000 0.995 261 T HN 0.581 nan 8.240 nan 0.000 0.536 262 S N 0.240 115.949 115.700 0.015 0.000 2.383 262 S HA -0.161 4.309 4.470 0.001 0.000 0.229 262 S C 2.077 176.685 174.600 0.013 0.000 1.030 262 S CA 1.439 59.648 58.200 0.015 0.000 1.002 262 S CB -0.597 62.611 63.200 0.014 0.000 0.829 262 S HN 0.841 nan 8.310 nan 0.000 0.467 263 Q N 1.708 121.515 119.800 0.012 0.000 2.050 263 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 263 Q C 1.406 177.412 176.000 0.010 0.000 0.980 263 Q CA 1.795 57.604 55.803 0.010 0.000 0.840 263 Q CB -0.452 28.292 28.738 0.009 0.000 0.898 263 Q HN 0.345 nan 8.270 nan 0.000 0.424 264 D N 0.019 120.426 120.400 0.012 0.000 2.133 264 D HA -0.169 4.471 4.640 0.001 0.000 0.195 264 D C 1.681 177.988 176.300 0.012 0.000 0.997 264 D CA 1.395 55.403 54.000 0.012 0.000 0.840 264 D CB -0.079 40.730 40.800 0.015 0.000 0.947 264 D HN 0.344 nan 8.370 nan 0.000 0.452 265 K N 0.477 120.885 120.400 0.014 0.000 2.057 265 K HA -0.092 4.228 4.320 0.001 0.000 0.206 265 K C 2.155 178.762 176.600 0.011 0.000 1.050 265 K CA 0.792 57.088 56.287 0.015 0.000 0.935 265 K CB -0.001 32.511 32.500 0.020 0.000 0.715 265 K HN 0.204 nan 8.250 nan 0.000 0.439 266 E N 0.861 121.066 120.200 0.010 0.000 2.058 266 E HA -0.199 4.152 4.350 0.001 0.000 0.194 266 E C 1.657 178.258 176.600 0.002 0.000 0.997 266 E CA 1.375 57.778 56.400 0.006 0.000 0.801 266 E CB -0.003 29.701 29.700 0.006 0.000 0.746 266 E HN 0.235 nan 8.360 nan 0.000 0.450 267 D N 0.557 120.959 120.400 0.003 0.000 2.104 267 D HA -0.147 4.494 4.640 0.001 0.000 0.194 267 D C 1.987 178.286 176.300 -0.002 0.000 0.994 267 D CA 0.883 54.883 54.000 0.001 0.000 0.830 267 D CB -0.233 40.569 40.800 0.003 0.000 0.959 267 D HN 0.159 nan 8.370 nan 0.000 0.452 268 I N 1.075 121.645 120.570 -0.001 0.000 2.163 268 I HA -0.293 3.877 4.170 0.001 0.000 0.243 268 I C 2.472 178.584 176.117 -0.008 0.000 1.085 268 I CA 1.171 62.469 61.300 -0.004 0.000 1.347 268 I CB -0.250 37.750 38.000 0.000 0.000 1.044 268 I HN -0.065 nan 8.210 nan 0.000 0.408 269 A N -0.210 122.606 122.820 -0.007 0.000 1.892 269 A HA -0.294 4.027 4.320 0.001 0.000 0.218 269 A C 2.493 180.066 177.584 -0.018 0.000 1.188 269 A CA 2.485 54.513 52.037 -0.014 0.000 0.631 269 A CB -0.957 18.035 19.000 -0.013 0.000 0.822 269 A HN 0.440 nan 8.150 nan 0.000 0.447 270 S N -0.797 114.896 115.700 -0.013 0.000 2.356 270 S HA -0.129 4.342 4.470 0.001 0.000 0.223 270 S C 1.922 176.514 174.600 -0.013 0.000 1.032 270 S CA 1.717 59.909 58.200 -0.013 0.000 1.005 270 S CB -0.554 62.641 63.200 -0.008 0.000 0.867 270 S HN 0.314 nan 8.310 nan 0.000 0.449 271 V N 1.481 121.388 119.914 -0.011 0.000 2.343 271 V HA -0.107 4.013 4.120 0.001 0.000 0.247 271 V C 2.531 178.616 176.094 -0.015 0.000 1.051 271 V CA 1.694 63.987 62.300 -0.012 0.000 1.036 271 V CB -0.797 31.020 31.823 -0.011 0.000 0.654 271 V HN 0.418 nan 8.190 nan 0.000 0.451 272 V N -0.222 119.682 119.914 -0.017 0.000 2.282 272 V HA -0.341 3.779 4.120 0.001 0.000 0.249 272 V C 2.469 178.549 176.094 -0.023 0.000 1.057 272 V CA 2.405 64.693 62.300 -0.020 0.000 1.032 272 V CB -0.593 31.216 31.823 -0.023 0.000 0.645 272 V HN 0.534 nan 8.190 nan 0.000 0.447 273 K N -0.535 119.849 120.400 -0.025 0.000 2.103 273 K HA -0.143 4.178 4.320 0.001 0.000 0.204 273 K C 2.238 178.825 176.600 -0.021 0.000 1.052 273 K CA 1.259 57.529 56.287 -0.028 0.000 0.945 273 K CB -0.177 32.303 32.500 -0.033 0.000 0.722 273 K HN 0.544 nan 8.250 nan 0.000 0.443 274 E N 0.982 121.172 120.200 -0.017 0.000 2.077 274 E HA -0.190 4.160 4.350 0.001 0.000 0.193 274 E C 1.641 178.235 176.600 -0.010 0.000 0.989 274 E CA 1.081 57.474 56.400 -0.012 0.000 0.800 274 E CB 0.094 29.788 29.700 -0.010 0.000 0.746 274 E HN 0.247 nan 8.360 nan 0.000 0.452 275 L N -0.639 120.578 121.223 -0.010 0.000 2.446 275 L HA 0.173 4.513 4.340 0.001 0.000 0.219 275 L C 1.324 178.190 176.870 -0.006 0.000 1.116 275 L CA 0.429 55.265 54.840 -0.007 0.000 0.844 275 L CB 0.085 42.140 42.059 -0.007 0.000 0.970 275 L HN 0.413 nan 8.230 nan 0.000 0.457 276 G N 1.455 110.249 108.800 -0.010 0.000 2.256 276 G HA2 -0.235 3.726 3.960 0.001 0.000 0.272 276 G HA3 -0.235 3.726 3.960 0.001 0.000 0.272 276 G C 0.218 175.114 174.900 -0.007 0.000 1.076 276 G CA -0.426 44.668 45.100 -0.010 0.000 0.882 276 G HN 0.128 nan 8.290 nan 0.000 0.497 277 I N 0.755 121.319 120.570 -0.010 0.000 2.775 277 I HA 0.012 4.182 4.170 0.001 0.000 0.290 277 I C 1.296 177.407 176.117 -0.010 0.000 1.203 277 I CA 0.290 61.586 61.300 -0.007 0.000 1.433 277 I CB 0.498 38.490 38.000 -0.013 0.000 1.354 277 I HN 0.197 nan 8.210 nan 0.000 0.579 278 D N 4.422 124.822 120.400 -0.000 0.000 2.269 278 D HA 0.077 4.718 4.640 0.001 0.000 0.208 278 D C 0.970 177.254 176.300 -0.027 0.000 0.963 278 D CA 0.720 54.718 54.000 -0.003 0.000 0.864 278 D CB 0.685 41.500 40.800 0.024 0.000 0.936 278 D HN 0.771 nan 8.370 nan 0.000 0.505 279 G N -0.571 108.208 108.800 -0.034 0.000 2.430 279 G HA2 0.513 4.473 3.960 0.001 0.000 0.300 279 G HA3 0.513 4.473 3.960 0.001 0.000 0.300 279 G C -1.993 172.879 174.900 -0.045 0.000 1.330 279 G CA -0.793 44.273 45.100 -0.057 0.000 0.813 279 G HN 0.032 nan 8.290 nan 0.000 0.487 280 L N 0.067 121.261 121.223 -0.048 0.000 2.401 280 L HA 0.630 4.970 4.340 0.001 0.000 0.266 280 L C -0.518 176.337 176.870 -0.025 0.000 0.991 280 L CA -0.830 53.996 54.840 -0.024 0.000 0.818 280 L CB 2.433 44.487 42.059 -0.010 0.000 1.321 280 L HN 0.378 nan 8.230 nan 0.000 0.413 281 I N 3.122 123.693 120.570 0.002 0.000 2.354 281 I HA 0.474 4.645 4.170 0.001 0.000 0.292 281 I C -0.886 175.252 176.117 0.035 0.000 0.989 281 I CA -0.806 60.508 61.300 0.022 0.000 1.188 281 I CB 1.856 39.890 38.000 0.056 0.000 1.342 281 I HN 0.175 nan 8.210 nan 0.000 0.457 282 V N 4.847 124.782 119.914 0.036 0.000 2.509 282 V HA 0.458 4.578 4.120 0.001 0.000 0.289 282 V C -0.052 176.067 176.094 0.041 0.000 1.026 282 V CA -0.411 61.912 62.300 0.038 0.000 0.872 282 V CB 1.596 33.439 31.823 0.034 0.000 1.017 282 V HN 0.928 nan 8.190 nan 0.000 0.436 283 T N 0.322 114.903 114.554 0.045 0.000 2.838 283 T HA 0.537 4.887 4.350 0.001 0.000 0.292 283 T C -0.216 174.517 174.700 0.056 0.000 1.113 283 T CA -0.743 61.385 62.100 0.048 0.000 1.008 283 T CB 2.205 71.098 68.868 0.041 0.000 1.259 283 T HN 0.345 nan 8.240 nan 0.000 0.520 284 N N 0.620 119.356 118.700 0.059 0.000 2.290 284 N HA 0.261 5.001 4.740 0.001 0.000 0.269 284 N C 0.428 175.966 175.510 0.046 0.000 1.295 284 N CA 0.313 53.400 53.050 0.063 0.000 0.932 284 N CB 0.705 39.239 38.487 0.077 0.000 1.128 284 N HN 0.967 nan 8.380 nan 0.000 0.532 285 T N -2.450 112.127 114.554 0.038 0.000 2.813 285 T HA 0.146 4.497 4.350 0.001 0.000 0.297 285 T C 0.472 175.188 174.700 0.027 0.000 1.036 285 T CA -0.416 61.697 62.100 0.021 0.000 1.044 285 T CB 0.596 69.467 68.868 0.004 0.000 0.993 285 T HN 0.371 nan 8.240 nan 0.000 0.535 286 T N 0.141 114.706 114.554 0.019 0.000 2.824 286 T HA 0.402 4.752 4.350 0.001 0.000 0.280 286 T C 1.134 175.844 174.700 0.017 0.000 0.995 286 T CA -0.422 61.690 62.100 0.020 0.000 1.009 286 T CB 0.818 69.695 68.868 0.015 0.000 0.955 286 T HN 0.805 nan 8.240 nan 0.000 0.452 287 V N 2.579 122.505 119.914 0.021 0.000 3.623 287 V HA 0.272 4.392 4.120 0.001 0.000 0.271 287 V C 1.109 177.208 176.094 0.009 0.000 1.248 287 V CA 0.353 62.663 62.300 0.017 0.000 1.156 287 V CB -1.163 30.674 31.823 0.024 0.000 0.870 287 V HN 0.820 nan 8.190 nan 0.000 0.453 288 S N 1.513 117.218 115.700 0.009 0.000 2.600 288 S HA 0.496 4.966 4.470 0.001 0.000 0.265 288 S C 0.170 174.769 174.600 -0.001 0.000 1.325 288 S CA -0.595 57.608 58.200 0.004 0.000 1.002 288 S CB 0.936 64.139 63.200 0.006 0.000 0.921 288 S HN 0.503 nan 8.310 nan 0.000 0.554 289 R N 2.123 122.620 120.500 -0.005 0.000 2.513 289 R HA 0.406 4.746 4.340 0.001 0.000 0.283 289 R C -2.732 173.563 176.300 -0.008 0.000 1.535 289 R CA -1.846 54.248 56.100 -0.009 0.000 1.315 289 R CB 0.400 30.691 30.300 -0.016 0.000 1.163 289 R HN 0.648 nan 8.270 nan 0.000 0.573 290 P HA 0.008 nan 4.420 nan 0.000 0.266 290 P C -0.107 177.188 177.300 -0.008 0.000 1.193 290 P CA -0.107 62.989 63.100 -0.006 0.000 0.770 290 P CB 0.603 32.300 31.700 -0.005 0.000 0.836 291 A N 1.810 124.625 122.820 -0.008 0.000 2.483 291 A HA 0.430 4.750 4.320 0.001 0.000 0.238 291 A C 1.460 179.038 177.584 -0.010 0.000 1.070 291 A CA 0.717 52.748 52.037 -0.009 0.000 0.770 291 A CB -0.906 18.089 19.000 -0.008 0.000 1.008 291 A HN 0.971 nan 8.150 nan 0.000 0.497 292 G N 0.530 109.323 108.800 -0.012 0.000 2.213 292 G HA2 -0.176 3.784 3.960 0.001 0.000 0.226 292 G HA3 -0.176 3.784 3.960 0.001 0.000 0.226 292 G C 0.201 175.092 174.900 -0.014 0.000 0.992 292 G CA -0.016 45.077 45.100 -0.012 0.000 0.632 292 G HN 0.857 nan 8.290 nan 0.000 0.511 293 L N 0.960 122.174 121.223 -0.014 0.000 2.578 293 L HA 0.139 4.479 4.340 0.001 0.000 0.279 293 L C 1.648 178.509 176.870 -0.016 0.000 1.227 293 L CA 0.205 55.036 54.840 -0.016 0.000 0.900 293 L CB 0.623 42.672 42.059 -0.016 0.000 1.144 293 L HN 0.149 nan 8.230 nan 0.000 0.496 294 Q N 2.381 122.171 119.800 -0.016 0.000 2.378 294 Q HA 0.144 4.484 4.340 0.001 0.000 0.229 294 Q C 0.949 176.942 176.000 -0.012 0.000 0.882 294 Q CA 0.270 56.064 55.803 -0.014 0.000 0.936 294 Q CB 0.464 29.194 28.738 -0.014 0.000 1.092 294 Q HN 0.813 nan 8.270 nan 0.000 0.535 295 G N 0.698 109.493 108.800 -0.009 0.000 2.353 295 G HA2 0.193 4.154 3.960 0.001 0.000 0.239 295 G HA3 0.193 4.154 3.960 0.001 0.000 0.239 295 G C 0.959 175.852 174.900 -0.011 0.000 1.295 295 G CA 0.491 45.590 45.100 -0.002 0.000 0.884 295 G HN 0.241 nan 8.290 nan 0.000 0.537 296 A N 2.373 125.188 122.820 -0.008 0.000 2.019 296 A HA -0.008 4.312 4.320 0.001 0.000 0.219 296 A C 2.033 179.594 177.584 -0.039 0.000 1.164 296 A CA 0.836 52.862 52.037 -0.019 0.000 0.644 296 A CB -0.136 18.858 19.000 -0.010 0.000 0.805 296 A HN 0.621 nan 8.150 nan 0.000 0.449 297 L N -0.111 121.089 121.223 -0.038 0.000 2.629 297 L HA 0.060 4.400 4.340 0.001 0.000 0.230 297 L C 2.179 178.981 176.870 -0.114 0.000 1.151 297 L CA 0.225 55.010 54.840 -0.092 0.000 0.924 297 L CB -0.326 41.702 42.059 -0.051 0.000 1.137 297 L HN 0.538 nan 8.230 nan 0.000 0.457 298 R N -0.973 119.485 120.500 -0.071 0.000 2.193 298 R HA -0.068 4.272 4.340 0.001 0.000 0.229 298 R C 1.331 177.583 176.300 -0.079 0.000 1.110 298 R CA 1.250 57.315 56.100 -0.060 0.000 0.988 298 R CB -0.427 29.850 30.300 -0.038 0.000 0.871 298 R HN 0.087 nan 8.270 nan 0.000 0.458 299 S N 0.500 116.137 115.700 -0.105 0.000 2.577 299 S HA 0.101 4.572 4.470 0.001 0.000 0.219 299 S C -0.374 174.135 174.600 -0.151 0.000 0.962 299 S CA -0.343 57.795 58.200 -0.104 0.000 0.921 299 S CB 0.179 63.328 63.200 -0.084 0.000 0.789 299 S HN 0.263 nan 8.310 nan 0.000 0.497 300 E N 2.645 122.704 120.200 -0.235 0.000 2.414 300 E HA 0.058 4.409 4.350 0.001 0.000 0.263 300 E C 0.073 176.565 176.600 -0.180 0.000 1.000 300 E CA 0.336 56.531 56.400 -0.341 0.000 0.914 300 E CB 0.410 29.695 29.700 -0.691 0.000 0.948 300 E HN 0.078 nan 8.360 nan 0.000 0.444 301 T N 1.786 116.260 114.554 -0.133 0.000 2.928 301 T HA 0.444 4.794 4.350 0.001 0.000 0.305 301 T C 0.432 175.127 174.700 -0.009 0.000 1.035 301 T CA 0.623 62.693 62.100 -0.049 0.000 1.145 301 T CB 0.609 69.464 68.868 -0.021 0.000 0.963 301 T HN 0.657 nan 8.240 nan 0.000 0.545 302 G N 1.336 110.142 108.800 0.010 0.000 2.369 302 G HA2 0.423 4.383 3.960 0.001 0.000 0.293 302 G HA3 0.423 4.383 3.960 0.001 0.000 0.293 302 G C -0.441 174.472 174.900 0.022 0.000 1.301 302 G CA -0.539 44.580 45.100 0.032 0.000 0.913 302 G HN 0.854 nan 8.290 nan 0.000 0.540 303 G N -0.805 108.007 108.800 0.020 0.000 2.353 303 G HA2 0.653 4.613 3.960 0.001 0.000 0.284 303 G HA3 0.653 4.613 3.960 0.001 0.000 0.284 303 G C -0.344 174.555 174.900 -0.002 0.000 1.172 303 G CA -0.184 44.923 45.100 0.011 0.000 0.854 303 G HN 1.242 nan 8.290 nan 0.000 0.485 304 L N 3.219 124.441 121.223 -0.001 0.000 2.305 304 L HA 0.670 5.010 4.340 0.001 0.000 0.281 304 L C 0.550 177.413 176.870 -0.012 0.000 1.085 304 L CA -0.172 54.664 54.840 -0.006 0.000 0.813 304 L CB 1.310 43.368 42.059 -0.001 0.000 1.157 304 L HN 0.599 nan 8.230 nan 0.000 0.436 305 S N 3.010 118.696 115.700 -0.024 0.000 2.709 305 S HA 1.036 5.506 4.470 0.001 0.000 0.302 305 S C 0.026 174.626 174.600 -0.000 0.000 1.127 305 S CA -0.146 58.037 58.200 -0.029 0.000 0.905 305 S CB 1.374 64.518 63.200 -0.093 0.000 1.151 305 S HN 1.788 nan 8.310 nan 0.000 0.510 306 G N 1.366 110.175 108.800 0.015 0.000 2.512 306 G HA2 -0.184 3.776 3.960 0.001 0.000 0.210 306 G HA3 -0.184 3.776 3.960 0.001 0.000 0.210 306 G C 0.352 175.269 174.900 0.029 0.000 1.295 306 G CA 0.129 45.256 45.100 0.046 0.000 0.934 306 G HN 0.849 nan 8.290 nan 0.000 0.554 307 K N 0.912 121.322 120.400 0.015 0.000 2.074 307 K HA -0.093 4.228 4.320 0.001 0.000 0.209 307 K C -0.150 176.451 176.600 0.002 0.000 1.048 307 K CA 2.181 58.472 56.287 0.007 0.000 0.926 307 K CB -0.865 31.628 32.500 -0.012 0.000 0.713 307 K HN 0.295 nan 8.250 nan 0.000 0.444 308 P HA -0.127 nan 4.420 nan 0.000 0.222 308 P C 1.017 178.319 177.300 0.003 0.000 1.147 308 P CA 0.720 63.818 63.100 -0.003 0.000 0.790 308 P CB 0.091 31.788 31.700 -0.006 0.000 0.780 309 L N -0.865 120.363 121.223 0.008 0.000 2.418 309 L HA 0.128 4.469 4.340 0.001 0.000 0.218 309 L C 2.330 179.209 176.870 0.015 0.000 1.125 309 L CA 1.116 55.963 54.840 0.012 0.000 0.835 309 L CB -0.721 41.346 42.059 0.014 0.000 0.953 309 L HN -0.252 nan 8.230 nan 0.000 0.454 310 R N -0.144 120.365 120.500 0.015 0.000 2.103 310 R HA -0.210 4.131 4.340 0.001 0.000 0.234 310 R C 1.568 177.876 176.300 0.013 0.000 1.132 310 R CA 2.408 58.518 56.100 0.017 0.000 0.925 310 R CB -0.323 29.987 30.300 0.017 0.000 0.842 310 R HN 0.366 nan 8.270 nan 0.000 0.430 311 D N 0.296 120.701 120.400 0.008 0.000 2.224 311 D HA -0.110 4.531 4.640 0.001 0.000 0.205 311 D C 1.745 178.050 176.300 0.007 0.000 0.965 311 D CA 0.439 54.442 54.000 0.005 0.000 0.852 311 D CB -0.182 40.618 40.800 0.000 0.000 0.947 311 D HN 0.148 nan 8.370 nan 0.000 0.494 312 L N 0.650 121.879 121.223 0.009 0.000 2.042 312 L HA -0.158 4.182 4.340 0.001 0.000 0.210 312 L C 2.052 178.932 176.870 0.018 0.000 1.076 312 L CA 1.662 56.509 54.840 0.013 0.000 0.749 312 L CB -0.701 41.365 42.059 0.013 0.000 0.893 312 L HN -0.138 nan 8.230 nan 0.000 0.432 313 S N -1.284 114.428 115.700 0.019 0.000 2.368 313 S HA -0.166 4.304 4.470 0.001 0.000 0.224 313 S C 1.782 176.396 174.600 0.023 0.000 1.029 313 S CA 1.639 59.853 58.200 0.024 0.000 0.988 313 S CB -0.436 62.780 63.200 0.026 0.000 0.838 313 S HN 0.607 nan 8.310 nan 0.000 0.462 314 T N 2.222 116.786 114.554 0.016 0.000 2.746 314 T HA -0.089 4.261 4.350 0.001 0.000 0.267 314 T C 1.947 176.658 174.700 0.017 0.000 1.039 314 T CA 1.005 63.112 62.100 0.011 0.000 1.142 314 T CB -0.276 68.593 68.868 0.001 0.000 0.866 314 T HN 0.268 nan 8.240 nan 0.000 0.444 315 Q N 0.758 120.567 119.800 0.016 0.000 2.124 315 Q HA -0.070 4.271 4.340 0.001 0.000 0.202 315 Q C 2.580 178.603 176.000 0.037 0.000 0.977 315 Q CA 1.442 57.257 55.803 0.020 0.000 0.850 315 Q CB -0.974 27.772 28.738 0.013 0.000 0.901 315 Q HN 0.534 nan 8.270 nan 0.000 0.429 316 T N 1.428 116.003 114.554 0.036 0.000 2.777 316 T HA -0.043 4.308 4.350 0.001 0.000 0.266 316 T C 2.071 176.806 174.700 0.058 0.000 1.040 316 T CA 0.803 62.929 62.100 0.043 0.000 1.141 316 T CB -0.179 68.710 68.868 0.036 0.000 0.868 316 T HN 0.182 nan 8.240 nan 0.000 0.444 317 I N 0.711 121.314 120.570 0.054 0.000 2.163 317 I HA -0.212 3.959 4.170 0.001 0.000 0.243 317 I C 2.880 179.068 176.117 0.119 0.000 1.085 317 I CA 1.377 62.716 61.300 0.066 0.000 1.347 317 I CB -0.353 37.667 38.000 0.034 0.000 1.044 317 I HN 0.109 nan 8.210 nan 0.000 0.408 318 R N 0.694 121.267 120.500 0.121 0.000 2.094 318 R HA -0.265 4.075 4.340 0.001 0.000 0.239 318 R C 2.328 178.786 176.300 0.264 0.000 1.137 318 R CA 2.234 58.461 56.100 0.212 0.000 0.943 318 R CB -0.244 30.101 30.300 0.076 0.000 0.850 318 R HN 0.380 nan 8.270 nan 0.000 0.433 319 E N -0.458 119.832 120.200 0.149 0.000 2.077 319 E HA -0.204 4.146 4.350 0.001 0.000 0.193 319 E C 1.878 178.548 176.600 0.117 0.000 0.989 319 E CA 1.320 57.793 56.400 0.123 0.000 0.800 319 E CB 0.105 29.848 29.700 0.072 0.000 0.746 319 E HN 0.203 nan 8.360 nan 0.000 0.452 320 M N -0.306 119.357 119.600 0.105 0.000 2.229 320 M HA -0.127 4.353 4.480 0.001 0.000 0.264 320 M C 2.062 178.405 176.300 0.073 0.000 1.063 320 M CA 1.234 56.577 55.300 0.072 0.000 1.114 320 M CB -1.088 31.546 32.600 0.056 0.000 1.387 320 M HN 0.252 nan 8.290 nan 0.000 0.420 321 Y N 1.153 121.437 120.300 -0.027 0.000 2.145 321 Y HA -0.164 4.387 4.550 0.000 0.000 0.286 321 Y C 2.414 178.249 175.900 -0.109 0.000 1.145 321 Y CA 2.145 60.178 58.100 -0.112 0.000 1.148 321 Y CB -0.264 38.059 38.460 -0.229 0.000 0.981 321 Y HN 0.201 nan 8.280 nan 0.000 0.507 322 A N 0.056 122.946 122.820 0.117 0.000 1.898 322 A HA -0.139 4.182 4.320 0.001 0.000 0.216 322 A C 2.244 179.820 177.584 -0.013 0.000 1.181 322 A CA 1.669 53.751 52.037 0.075 0.000 0.620 322 A CB -1.132 17.991 19.000 0.206 0.000 0.819 322 A HN 0.544 nan 8.150 nan 0.000 0.442 323 L N -0.014 121.212 121.223 0.004 0.000 2.191 323 L HA -0.123 4.217 4.340 0.001 0.000 0.212 323 L C 2.320 179.157 176.870 -0.056 0.000 1.103 323 L CA 1.657 56.488 54.840 -0.015 0.000 0.769 323 L CB -0.432 41.629 42.059 0.004 0.000 0.908 323 L HN 0.652 nan 8.230 nan 0.000 0.438 324 T N -5.166 109.326 114.554 -0.104 0.000 3.145 324 T HA 0.170 4.520 4.350 0.001 0.000 0.255 324 T C 0.657 175.231 174.700 -0.210 0.000 1.039 324 T CA -0.342 61.676 62.100 -0.136 0.000 0.928 324 T CB 0.443 69.235 68.868 -0.128 0.000 1.029 324 T HN 0.171 nan 8.240 nan 0.000 0.554 325 Q N 0.407 120.069 119.800 -0.230 0.000 2.480 325 Q HA -0.149 4.191 4.340 0.001 0.000 0.265 325 Q C 1.218 176.966 176.000 -0.420 0.000 1.072 325 Q CA 1.119 56.772 55.803 -0.250 0.000 1.018 325 Q CB -2.227 26.424 28.738 -0.146 0.000 1.433 325 Q HN 1.149 nan 8.270 nan 0.000 0.513 326 G N -0.946 107.364 108.800 -0.817 0.000 2.168 326 G HA2 -0.407 3.553 3.960 0.001 0.000 0.257 326 G HA3 -0.407 3.553 3.960 0.001 0.000 0.257 326 G C 0.620 175.228 174.900 -0.487 0.000 0.997 326 G CA 0.662 45.053 45.100 -1.182 0.000 0.708 326 G HN 0.460 nan 8.290 nan 0.000 0.520 327 R N -1.274 119.031 120.500 -0.324 0.000 2.397 327 R HA 0.334 4.674 4.340 0.001 0.000 0.241 327 R C 0.212 176.437 176.300 -0.125 0.000 0.914 327 R CA 0.236 56.233 56.100 -0.172 0.000 1.071 327 R CB 1.089 31.310 30.300 -0.132 0.000 1.116 327 R HN 0.290 nan 8.270 nan 0.000 0.524 328 V N 3.276 123.107 119.914 -0.138 0.000 2.350 328 V HA 0.274 4.394 4.120 0.001 0.000 0.285 328 V C -2.334 173.722 176.094 -0.063 0.000 1.014 328 V CA -2.352 59.896 62.300 -0.086 0.000 0.831 328 V CB 1.626 33.404 31.823 -0.076 0.000 1.000 328 V HN -0.040 nan 8.190 nan 0.000 0.433 329 P HA 0.166 nan 4.420 nan 0.000 0.262 329 P C -0.592 176.669 177.300 -0.065 0.000 1.182 329 P CA 0.506 63.568 63.100 -0.064 0.000 0.761 329 P CB 0.406 32.048 31.700 -0.097 0.000 0.795 330 I N 3.921 124.464 120.570 -0.046 0.000 2.433 330 I HA 0.357 4.528 4.170 0.001 0.000 0.292 330 I C 0.206 176.276 176.117 -0.078 0.000 1.001 330 I CA -0.774 60.503 61.300 -0.039 0.000 1.119 330 I CB 1.545 39.560 38.000 0.024 0.000 1.289 330 I HN 0.113 nan 8.210 nan 0.000 0.438 331 I N 5.160 125.685 120.570 -0.075 0.000 2.304 331 I HA 0.335 4.505 4.170 0.001 0.000 0.291 331 I C 0.700 176.825 176.117 0.013 0.000 1.018 331 I CA -0.310 60.964 61.300 -0.043 0.000 1.260 331 I CB 1.223 39.205 38.000 -0.029 0.000 1.390 331 I HN 0.627 nan 8.210 nan 0.000 0.475 332 G N 5.613 114.426 108.800 0.022 0.000 2.325 332 G HA2 0.502 4.462 3.960 0.001 0.000 0.298 332 G HA3 0.502 4.462 3.960 0.001 0.000 0.298 332 G C -1.033 173.896 174.900 0.049 0.000 1.134 332 G CA -0.321 44.796 45.100 0.028 0.000 0.876 332 G HN 0.419 nan 8.290 nan 0.000 0.452 333 V N 1.852 121.795 119.914 0.049 0.000 2.851 333 V HA 0.941 5.061 4.120 0.001 0.000 0.307 333 V C -0.163 175.961 176.094 0.050 0.000 1.129 333 V CA 0.470 62.804 62.300 0.057 0.000 0.932 333 V CB 1.793 33.657 31.823 0.069 0.000 1.024 333 V HN 1.938 nan 8.190 nan 0.000 0.426 334 G N 3.652 112.483 108.800 0.051 0.000 2.362 334 G HA2 0.522 4.482 3.960 0.001 0.000 0.189 334 G HA3 0.522 4.482 3.960 0.001 0.000 0.189 334 G C 0.557 175.482 174.900 0.042 0.000 1.374 334 G CA 0.131 45.257 45.100 0.043 0.000 1.140 334 G HN 2.312 nan 8.290 nan 0.000 0.611 335 G N -0.425 108.405 108.800 0.049 0.000 2.249 335 G HA2 0.011 3.971 3.960 0.001 0.000 0.273 335 G HA3 0.011 3.971 3.960 0.001 0.000 0.273 335 G C 0.501 175.440 174.900 0.064 0.000 1.036 335 G CA 0.516 45.649 45.100 0.056 0.000 0.824 335 G HN 1.750 nan 8.290 nan 0.000 0.504 336 V N 1.128 121.086 119.914 0.072 0.000 2.408 336 V HA 0.504 4.624 4.120 0.001 0.000 0.267 336 V C 1.139 177.296 176.094 0.104 0.000 1.047 336 V CA 0.805 63.147 62.300 0.070 0.000 0.937 336 V CB 1.307 33.166 31.823 0.060 0.000 0.999 336 V HN 0.892 nan 8.190 nan 0.000 0.472 337 S N 1.505 117.266 115.700 0.101 0.000 2.847 337 S HA 0.300 4.770 4.470 0.001 0.000 0.254 337 S C 0.287 174.906 174.600 0.032 0.000 1.039 337 S CA 0.095 58.377 58.200 0.136 0.000 1.113 337 S CB 0.412 63.790 63.200 0.296 0.000 1.092 337 S HN 0.827 nan 8.310 nan 0.000 0.620 338 S N -0.583 115.117 115.700 0.000 0.000 2.671 338 S HA 0.768 5.238 4.470 0.001 0.000 0.277 338 S C 1.087 175.665 174.600 -0.037 0.000 1.165 338 S CA -0.234 57.941 58.200 -0.042 0.000 0.822 338 S CB 0.740 63.906 63.200 -0.057 0.000 1.150 338 S HN 0.227 nan 8.310 nan 0.000 0.479 339 G N 0.220 108.990 108.800 -0.050 0.000 2.418 339 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 339 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 339 G C 1.167 176.053 174.900 -0.023 0.000 1.158 339 G CA 1.140 46.216 45.100 -0.040 0.000 0.771 339 G HN 0.838 nan 8.290 nan 0.000 0.545 340 Q N 0.266 120.054 119.800 -0.021 0.000 2.061 340 Q HA -0.166 4.174 4.340 0.001 0.000 0.204 340 Q C 2.032 178.025 176.000 -0.012 0.000 0.984 340 Q CA 1.839 57.634 55.803 -0.013 0.000 0.846 340 Q CB -0.194 28.535 28.738 -0.015 0.000 0.902 340 Q HN 0.360 nan 8.270 nan 0.000 0.421 341 D N 0.421 120.815 120.400 -0.010 0.000 2.116 341 D HA -0.201 4.440 4.640 0.001 0.000 0.193 341 D C 1.750 178.048 176.300 -0.003 0.000 0.998 341 D CA 1.610 55.609 54.000 -0.001 0.000 0.836 341 D CB -0.409 40.398 40.800 0.012 0.000 0.951 341 D HN 0.449 nan 8.370 nan 0.000 0.449 342 A N 0.569 123.385 122.820 -0.006 0.000 1.877 342 A HA -0.124 4.196 4.320 0.001 0.000 0.216 342 A C 2.185 179.753 177.584 -0.027 0.000 1.186 342 A CA 1.072 53.104 52.037 -0.009 0.000 0.620 342 A CB -0.758 18.237 19.000 -0.009 0.000 0.822 342 A HN 0.236 nan 8.150 nan 0.000 0.443 343 L N 0.118 121.322 121.223 -0.032 0.000 2.141 343 L HA -0.091 4.249 4.340 0.001 0.000 0.209 343 L C 2.161 178.999 176.870 -0.053 0.000 1.094 343 L CA 2.021 56.830 54.840 -0.051 0.000 0.763 343 L CB -0.573 41.469 42.059 -0.028 0.000 0.908 343 L HN 0.505 nan 8.230 nan 0.000 0.437 344 E N -0.452 119.730 120.200 -0.031 0.000 2.085 344 E HA -0.268 4.082 4.350 0.001 0.000 0.194 344 E C 2.103 178.678 176.600 -0.042 0.000 0.994 344 E CA 1.506 57.889 56.400 -0.029 0.000 0.801 344 E CB -0.096 29.593 29.700 -0.017 0.000 0.743 344 E HN 0.521 nan 8.360 nan 0.000 0.453 345 K N 0.390 120.768 120.400 -0.037 0.000 2.057 345 K HA -0.089 4.232 4.320 0.001 0.000 0.206 345 K C 2.202 178.757 176.600 -0.075 0.000 1.050 345 K CA 0.847 57.110 56.287 -0.040 0.000 0.935 345 K CB -0.095 32.395 32.500 -0.018 0.000 0.715 345 K HN 0.083 nan 8.250 nan 0.000 0.439 346 I N 1.002 121.516 120.570 -0.092 0.000 2.127 346 I HA -0.306 3.864 4.170 0.001 0.000 0.241 346 I C 2.340 178.344 176.117 -0.188 0.000 1.075 346 I CA 1.428 62.643 61.300 -0.141 0.000 1.334 346 I CB -0.205 37.705 38.000 -0.150 0.000 1.040 346 I HN 0.102 nan 8.210 nan 0.000 0.405 347 R N 0.544 120.944 120.500 -0.166 0.000 2.152 347 R HA -0.082 4.258 4.340 0.001 0.000 0.232 347 R C 2.229 178.463 176.300 -0.109 0.000 1.117 347 R CA 1.242 57.254 56.100 -0.147 0.000 0.981 347 R CB -0.370 29.881 30.300 -0.082 0.000 0.870 347 R HN 0.384 nan 8.270 nan 0.000 0.451 348 A N -0.269 122.491 122.820 -0.100 0.000 2.119 348 A HA 0.145 4.465 4.320 0.001 0.000 0.216 348 A C 1.483 178.979 177.584 -0.147 0.000 1.152 348 A CA 1.255 53.272 52.037 -0.034 0.000 0.708 348 A CB 0.205 19.194 19.000 -0.019 0.000 0.805 348 A HN 0.462 nan 8.150 nan 0.000 0.460 349 G N -2.841 105.721 108.800 -0.396 0.000 2.559 349 G HA2 0.287 4.247 3.960 0.001 0.000 0.202 349 G HA3 0.287 4.247 3.960 0.001 0.000 0.202 349 G C 0.256 175.006 174.900 -0.251 0.000 0.992 349 G CA -0.001 44.621 45.100 -0.796 0.000 0.764 349 G HN 1.234 nan 8.290 nan 0.000 0.525 350 A N 0.702 123.432 122.820 -0.150 0.000 2.409 350 A HA 0.724 5.045 4.320 0.001 0.000 0.262 350 A C 1.384 178.905 177.584 -0.104 0.000 1.113 350 A CA 1.032 53.019 52.037 -0.084 0.000 0.790 350 A CB 0.719 19.685 19.000 -0.057 0.000 1.046 350 A HN 0.665 nan 8.150 nan 0.000 0.496 351 S N 1.214 116.850 115.700 -0.107 0.000 2.446 351 S HA 0.230 4.701 4.470 0.001 0.000 0.225 351 S C 0.409 174.899 174.600 -0.184 0.000 1.016 351 S CA 0.629 58.743 58.200 -0.142 0.000 0.943 351 S CB -0.354 62.747 63.200 -0.164 0.000 0.786 351 S HN 0.597 nan 8.310 nan 0.000 0.508 352 L N 0.470 121.590 121.223 -0.172 0.000 2.469 352 L HA 0.665 5.005 4.340 0.001 0.000 0.256 352 L C -0.953 175.938 176.870 0.035 0.000 1.006 352 L CA -1.057 53.711 54.840 -0.120 0.000 0.832 352 L CB 2.161 43.991 42.059 -0.383 0.000 1.421 352 L HN -0.048 nan 8.230 nan 0.000 0.410 353 V N -1.245 118.766 119.914 0.162 0.000 3.074 353 V HA 0.706 4.826 4.120 0.001 0.000 0.314 353 V C -1.087 175.107 176.094 0.167 0.000 1.117 353 V CA -0.517 61.865 62.300 0.137 0.000 1.014 353 V CB 2.057 33.922 31.823 0.070 0.000 1.057 353 V HN 0.868 nan 8.190 nan 0.000 0.438 354 Q N 1.502 121.353 119.800 0.085 0.000 2.451 354 Q HA 0.832 5.172 4.340 0.001 0.000 0.281 354 Q C -1.435 174.586 176.000 0.035 0.000 1.099 354 Q CA -0.850 54.950 55.803 -0.006 0.000 0.806 354 Q CB 2.699 31.424 28.738 -0.022 0.000 1.419 354 Q HN 0.895 nan 8.270 nan 0.000 0.427 355 L N -2.337 118.905 121.223 0.033 0.000 2.359 355 L HA 0.612 4.952 4.340 0.001 0.000 0.256 355 L C -0.860 176.069 176.870 0.098 0.000 1.026 355 L CA -0.429 54.469 54.840 0.096 0.000 0.828 355 L CB 1.293 43.436 42.059 0.140 0.000 1.406 355 L HN 0.867 nan 8.230 nan 0.000 0.413 356 Y N -0.698 119.583 120.300 -0.032 0.000 3.341 356 Y HA 0.001 4.552 4.550 0.001 0.000 0.179 356 Y C 1.659 177.523 175.900 -0.060 0.000 0.929 356 Y CA 0.473 58.523 58.100 -0.082 0.000 1.758 356 Y CB 0.703 39.120 38.460 -0.071 0.000 1.446 356 Y HN 0.649 nan 8.280 nan 0.000 0.337 357 T N 1.955 116.565 114.554 0.093 0.000 2.778 357 T HA -0.226 4.125 4.350 0.001 0.000 0.269 357 T C 1.759 176.514 174.700 0.091 0.000 1.050 357 T CA 1.461 63.545 62.100 -0.026 0.000 1.137 357 T CB -0.592 68.263 68.868 -0.022 0.000 0.860 357 T HN 0.514 nan 8.240 nan 0.000 0.468 358 A N 1.321 124.237 122.820 0.161 0.000 1.908 358 A HA -0.058 4.262 4.320 0.001 0.000 0.218 358 A C 2.229 179.882 177.584 0.114 0.000 1.181 358 A CA 1.424 53.590 52.037 0.214 0.000 0.627 358 A CB -0.852 18.329 19.000 0.302 0.000 0.818 358 A HN 0.437 nan 8.150 nan 0.000 0.445 359 L N 0.556 121.837 121.223 0.096 0.000 2.079 359 L HA -0.164 4.177 4.340 0.001 0.000 0.210 359 L C 2.734 179.570 176.870 -0.057 0.000 1.081 359 L CA 2.863 57.722 54.840 0.032 0.000 0.752 359 L CB -0.811 41.229 42.059 -0.031 0.000 0.896 359 L HN 0.605 nan 8.230 nan 0.000 0.433 360 T N -3.986 110.477 114.554 -0.152 0.000 2.951 360 T HA -0.131 4.219 4.350 0.001 0.000 0.268 360 T C 1.633 175.995 174.700 -0.563 0.000 1.073 360 T CA 1.393 63.289 62.100 -0.340 0.000 1.134 360 T CB -0.721 67.858 68.868 -0.482 0.000 0.884 360 T HN 0.337 nan 8.240 nan 0.000 0.479 361 F N -0.717 118.936 119.950 -0.496 0.000 2.374 361 F HA 0.357 4.884 4.527 0.000 0.000 0.291 361 F C 1.590 176.959 175.800 -0.718 0.000 1.084 361 F CA -0.202 57.252 58.000 -0.910 0.000 1.413 361 F CB 0.092 38.053 39.000 -1.732 0.000 1.099 361 F HN 0.196 nan 8.300 nan 0.000 0.534 362 W N -0.128 121.288 121.300 0.193 0.000 2.871 362 W HA 0.518 5.178 4.660 0.001 0.000 0.340 362 W C 1.108 177.697 176.519 0.117 0.000 1.058 362 W CA 0.175 57.599 57.345 0.132 0.000 1.633 362 W CB -0.125 29.387 29.460 0.088 0.000 1.067 362 W HN 0.099 nan 8.180 nan 0.000 0.554 363 G N 1.452 110.381 108.800 0.215 0.000 2.796 363 G HA2 -0.286 3.674 3.960 0.001 0.000 0.226 363 G HA3 -0.286 3.674 3.960 0.001 0.000 0.226 363 G C -1.608 173.308 174.900 0.026 0.000 1.381 363 G CA -0.441 44.764 45.100 0.174 0.000 0.867 363 G HN -0.088 nan 8.290 nan 0.000 0.552 364 P HA -0.091 nan 4.420 nan 0.000 0.218 364 P C -1.126 176.032 177.300 -0.238 0.000 1.154 364 P CA 2.820 65.819 63.100 -0.168 0.000 0.872 364 P CB -0.550 31.049 31.700 -0.169 0.000 0.790 365 P HA -0.090 nan 4.420 nan 0.000 0.228 365 P C 1.604 178.823 177.300 -0.135 0.000 1.151 365 P CA 0.671 63.639 63.100 -0.220 0.000 0.770 365 P CB -0.424 31.145 31.700 -0.219 0.000 0.786 366 V N -0.398 119.473 119.914 -0.071 0.000 2.469 366 V HA -0.214 3.906 4.120 0.001 0.000 0.251 366 V C 2.083 178.091 176.094 -0.142 0.000 1.064 366 V CA 1.732 64.016 62.300 -0.027 0.000 1.066 366 V CB -0.726 31.178 31.823 0.136 0.000 0.667 366 V HN -0.048 nan 8.190 nan 0.000 0.461 367 V N 0.641 120.393 119.914 -0.270 0.000 2.261 367 V HA -0.152 3.968 4.120 0.001 0.000 0.246 367 V C 2.701 178.583 176.094 -0.354 0.000 1.047 367 V CA 2.236 64.283 62.300 -0.421 0.000 1.015 367 V CB -1.574 29.795 31.823 -0.755 0.000 0.642 367 V HN 0.603 nan 8.190 nan 0.000 0.446 368 G N -0.735 107.880 108.800 -0.309 0.000 2.422 368 G HA2 -0.251 3.709 3.960 0.001 0.000 0.218 368 G HA3 -0.251 3.709 3.960 0.001 0.000 0.218 368 G C 1.637 176.307 174.900 -0.384 0.000 1.140 368 G CA 0.893 45.776 45.100 -0.360 0.000 0.775 368 G HN 0.471 nan 8.290 nan 0.000 0.545 369 K N 0.220 120.480 120.400 -0.234 0.000 2.009 369 K HA -0.087 4.233 4.320 0.001 0.000 0.210 369 K C 2.567 179.045 176.600 -0.202 0.000 1.049 369 K CA 1.568 57.746 56.287 -0.181 0.000 0.929 369 K CB -0.341 32.080 32.500 -0.132 0.000 0.714 369 K HN 0.183 nan 8.250 nan 0.000 0.440 370 V N 1.875 121.672 119.914 -0.195 0.000 2.287 370 V HA -0.262 3.859 4.120 0.001 0.000 0.248 370 V C 2.269 178.235 176.094 -0.212 0.000 1.053 370 V CA 1.917 64.121 62.300 -0.159 0.000 1.027 370 V CB -0.427 31.333 31.823 -0.106 0.000 0.646 370 V HN 0.368 nan 8.190 nan 0.000 0.447 371 K N -0.247 119.935 120.400 -0.364 0.000 2.026 371 K HA -0.199 4.121 4.320 0.001 0.000 0.208 371 K C 2.425 178.730 176.600 -0.490 0.000 1.048 371 K CA 1.572 57.566 56.287 -0.489 0.000 0.929 371 K CB -0.276 31.719 32.500 -0.842 0.000 0.713 371 K HN 0.303 nan 8.250 nan 0.000 0.439 372 R N 1.617 121.755 120.500 -0.604 0.000 2.073 372 R HA -0.161 4.180 4.340 0.001 0.000 0.234 372 R C 1.874 178.152 176.300 -0.037 0.000 1.134 372 R CA 1.673 57.679 56.100 -0.157 0.000 0.952 372 R CB 0.037 30.311 30.300 -0.044 0.000 0.850 372 R HN 0.250 nan 8.270 nan 0.000 0.433 373 E N 0.318 120.467 120.200 -0.085 0.000 2.072 373 E HA -0.207 4.143 4.350 0.001 0.000 0.191 373 E C 1.971 178.559 176.600 -0.020 0.000 0.985 373 E CA 1.110 57.484 56.400 -0.043 0.000 0.801 373 E CB -0.135 29.529 29.700 -0.061 0.000 0.750 373 E HN 0.186 nan 8.360 nan 0.000 0.452 374 L N 1.747 122.947 121.223 -0.039 0.000 1.989 374 L HA -0.222 4.118 4.340 0.001 0.000 0.211 374 L C 2.277 179.165 176.870 0.030 0.000 1.071 374 L CA 1.996 56.829 54.840 -0.011 0.000 0.749 374 L CB -0.433 41.609 42.059 -0.028 0.000 0.890 374 L HN 0.086 nan 8.230 nan 0.000 0.431 375 E N -0.572 119.660 120.200 0.052 0.000 2.097 375 E HA -0.283 4.068 4.350 0.001 0.000 0.196 375 E C 2.040 178.693 176.600 0.089 0.000 1.000 375 E CA 1.368 57.828 56.400 0.101 0.000 0.804 375 E CB -0.219 29.588 29.700 0.180 0.000 0.740 375 E HN 0.645 nan 8.360 nan 0.000 0.454 376 A N 0.924 123.788 122.820 0.073 0.000 1.902 376 A HA -0.139 4.181 4.320 0.001 0.000 0.217 376 A C 2.219 179.837 177.584 0.056 0.000 1.181 376 A CA 1.082 53.154 52.037 0.059 0.000 0.623 376 A CB -0.584 18.443 19.000 0.044 0.000 0.818 376 A HN 0.314 nan 8.150 nan 0.000 0.443 377 L N -0.744 120.513 121.223 0.055 0.000 2.056 377 L HA -0.156 4.185 4.340 0.001 0.000 0.207 377 L C 2.565 179.510 176.870 0.125 0.000 1.078 377 L CA 0.914 55.795 54.840 0.069 0.000 0.749 377 L CB -0.483 41.608 42.059 0.053 0.000 0.901 377 L HN 0.382 nan 8.230 nan 0.000 0.433 378 L N -0.301 121.007 121.223 0.142 0.000 2.012 378 L HA -0.273 4.068 4.340 0.001 0.000 0.210 378 L C 2.652 179.640 176.870 0.197 0.000 1.073 378 L CA 1.570 56.553 54.840 0.238 0.000 0.748 378 L CB -0.458 41.701 42.059 0.166 0.000 0.891 378 L HN 0.216 nan 8.230 nan 0.000 0.431 379 K N -0.096 120.372 120.400 0.113 0.000 2.026 379 K HA -0.202 4.118 4.320 0.001 0.000 0.208 379 K C 2.016 178.636 176.600 0.033 0.000 1.048 379 K CA 1.502 57.829 56.287 0.067 0.000 0.929 379 K CB -0.171 32.361 32.500 0.054 0.000 0.713 379 K HN 0.288 nan 8.250 nan 0.000 0.439 380 E N 0.717 120.939 120.200 0.037 0.000 2.171 380 E HA -0.222 4.128 4.350 0.001 0.000 0.197 380 E C 1.484 178.074 176.600 -0.017 0.000 0.997 380 E CA 1.192 57.599 56.400 0.013 0.000 0.810 380 E CB 0.111 29.825 29.700 0.023 0.000 0.738 380 E HN 0.320 nan 8.360 nan 0.000 0.467 381 Q N -1.187 118.606 119.800 -0.013 0.000 2.247 381 Q HA 0.141 4.481 4.340 0.001 0.000 0.204 381 Q C 0.544 176.304 176.000 -0.401 0.000 0.872 381 Q CA 0.275 55.999 55.803 -0.131 0.000 0.951 381 Q CB 1.304 30.058 28.738 0.027 0.000 1.099 381 Q HN 0.344 nan 8.270 nan 0.000 0.501 382 G N 1.038 109.696 108.800 -0.237 0.000 2.198 382 G HA2 -0.285 3.675 3.960 0.001 0.000 0.260 382 G HA3 -0.285 3.675 3.960 0.001 0.000 0.260 382 G C -0.255 174.459 174.900 -0.310 0.000 1.025 382 G CA -0.093 44.858 45.100 -0.247 0.000 0.769 382 G HN 0.310 nan 8.290 nan 0.000 0.507 383 F N 0.084 120.040 119.950 0.010 0.000 2.396 383 F HA 0.507 5.034 4.527 0.001 0.000 0.343 383 F C 1.818 177.628 175.800 0.015 0.000 1.104 383 F CA 0.115 58.122 58.000 0.012 0.000 1.161 383 F CB 1.426 40.432 39.000 0.011 0.000 1.146 383 F HN -0.004 nan 8.300 nan 0.000 0.522 384 G N 1.778 110.698 108.800 0.199 0.000 2.432 384 G HA2 0.316 4.277 3.960 0.001 0.000 0.219 384 G HA3 0.316 4.277 3.960 0.001 0.000 0.219 384 G C 0.544 175.514 174.900 0.116 0.000 1.135 384 G CA 0.771 45.943 45.100 0.120 0.000 0.767 384 G HN 0.992 nan 8.290 nan 0.000 0.550 385 G N -2.145 106.734 108.800 0.133 0.000 2.488 385 G HA2 0.332 4.292 3.960 0.001 0.000 0.301 385 G HA3 0.332 4.292 3.960 0.001 0.000 0.301 385 G C 0.437 175.361 174.900 0.039 0.000 1.339 385 G CA 0.199 45.351 45.100 0.086 0.000 0.803 385 G HN 0.121 nan 8.290 nan 0.000 0.482 386 V N 0.385 120.302 119.914 0.005 0.000 2.332 386 V HA -0.155 3.965 4.120 0.001 0.000 0.248 386 V C 3.117 179.154 176.094 -0.095 0.000 1.055 386 V CA 2.892 65.155 62.300 -0.062 0.000 1.038 386 V CB -0.971 30.835 31.823 -0.029 0.000 0.651 386 V HN 0.837 nan 8.190 nan 0.000 0.450 387 T N -0.311 114.220 114.554 -0.037 0.000 2.759 387 T HA -0.210 4.140 4.350 0.001 0.000 0.269 387 T C 1.577 176.257 174.700 -0.032 0.000 1.042 387 T CA 1.718 63.801 62.100 -0.029 0.000 1.140 387 T CB -0.383 68.488 68.868 0.006 0.000 0.864 387 T HN 0.546 nan 8.240 nan 0.000 0.455 388 D N 1.134 121.531 120.400 -0.005 0.000 2.224 388 D HA 0.066 4.706 4.640 0.001 0.000 0.205 388 D C 2.158 178.415 176.300 -0.071 0.000 0.965 388 D CA 0.826 54.863 54.000 0.062 0.000 0.852 388 D CB -0.130 40.803 40.800 0.221 0.000 0.947 388 D HN 0.453 nan 8.370 nan 0.000 0.494 389 A N 0.657 123.224 122.820 -0.421 0.000 2.072 389 A HA 0.073 4.394 4.320 0.001 0.000 0.216 389 A C 1.290 178.621 177.584 -0.420 0.000 1.156 389 A CA -0.199 51.298 52.037 -0.899 0.000 0.701 389 A CB -0.265 17.998 19.000 -1.227 0.000 0.816 389 A HN 0.115 nan 8.150 nan 0.000 0.458 390 I N 0.910 121.333 120.570 -0.245 0.000 2.752 390 I HA 0.166 4.336 4.170 0.001 0.000 0.286 390 I C 1.526 177.533 176.117 -0.184 0.000 1.180 390 I CA 1.251 62.439 61.300 -0.185 0.000 1.404 390 I CB -0.250 37.690 38.000 -0.100 0.000 1.389 390 I HN 0.447 nan 8.210 nan 0.000 0.549 391 G N 4.555 113.149 108.800 -0.343 0.000 2.153 391 G HA2 -0.342 3.618 3.960 0.001 0.000 0.252 391 G HA3 -0.342 3.618 3.960 0.001 0.000 0.252 391 G C 1.099 175.967 174.900 -0.053 0.000 0.994 391 G CA 0.421 45.240 45.100 -0.469 0.000 0.698 391 G HN 0.877 nan 8.290 nan 0.000 0.521 392 A N -0.054 122.745 122.820 -0.035 0.000 1.978 392 A HA 0.021 4.342 4.320 0.001 0.000 0.220 392 A C 2.024 179.674 177.584 0.110 0.000 1.170 392 A CA 2.240 54.329 52.037 0.086 0.000 0.636 392 A CB -0.287 18.802 19.000 0.149 0.000 0.810 392 A HN 0.411 nan 8.150 nan 0.000 0.448 393 D N -0.750 119.688 120.400 0.063 0.000 2.178 393 D HA -0.111 4.529 4.640 0.001 0.000 0.201 393 D C 1.491 177.767 176.300 -0.041 0.000 0.980 393 D CA 1.016 55.009 54.000 -0.012 0.000 0.842 393 D CB -0.461 40.271 40.800 -0.114 0.000 0.948 393 D HN 0.668 nan 8.370 nan 0.000 0.472 394 H N -0.187 118.884 119.070 0.001 0.000 2.547 394 H HA 0.155 4.711 4.556 0.000 0.000 0.272 394 H C 1.209 176.579 175.328 0.070 0.000 0.989 394 H CA 0.501 56.584 56.048 0.059 0.000 1.214 394 H CB 0.596 30.446 29.762 0.147 0.000 1.389 394 H HN 0.131 nan 8.280 nan 0.000 0.577 395 R N 0.576 121.174 120.500 0.163 0.000 2.437 395 R HA 0.169 4.510 4.340 0.001 0.000 0.257 395 R C 0.735 177.081 176.300 0.077 0.000 0.927 395 R CA -0.227 55.945 56.100 0.119 0.000 1.078 395 R CB 0.968 31.341 30.300 0.122 0.000 1.161 395 R HN 0.117 nan 8.270 nan 0.000 0.529 396 R N 0.000 120.536 120.500 0.060 0.000 2.786 396 R HA 0.000 4.340 4.340 0.001 0.000 0.208 396 R CA 0.000 56.121 56.100 0.036 0.000 0.921 396 R CB 0.000 30.311 30.300 0.018 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535