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 3lps_1_A DATA FIRST_RESID 59 DATA SEQUENCE GLDPVKRRPG MYTDTARPNH LAQEVIDNSV DEALAGHAKQ IEVTLYKDGS DATA SEQUENCE CEVSDDGRGM PVDIHPEEKI PGVELILTRX XXXXXXXXXX XXXXXXLHGV DATA SEQUENCE GVSVVNALST KVELFIKREG SEHRMEFRDG NAASKLEVVG TVGKKNTGTR DATA SEQUENCE LRFWADPKYF DTPKFNVRAL RHLLRAKAVL CPGLTVKLHD EATGEQDSWY DATA SEQUENCE FENGLRDYLK GEMAEHEMLP ADLFVGSLKK DTEIVDWAAG WVPEGELVQE DATA SEQUENCE SYVNLIPTAQ HGTHVNGLRS GLTDALREFC DFRNLLPRGV KLAPEDVWDR DATA SEQUENCE VTFVLSLKMT DPQFSGQTKE RLSSRQAAGF IEGAAHDAFS LYLNQNVEIG DATA SEQUENCE EKIAQIAIDR ASAR 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 59 G HA2 0.000 nan 3.960 nan 0.000 0.244 59 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 59 G C 0.000 174.847 174.900 -0.089 0.000 0.946 59 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 60 L N 0.352 121.519 121.223 -0.094 0.000 2.590 60 L HA 0.173 4.514 4.340 0.001 0.000 0.227 60 L C 1.741 178.528 176.870 -0.138 0.000 1.099 60 L CA -0.146 54.607 54.840 -0.145 0.000 0.872 60 L CB 0.046 42.029 42.059 -0.127 0.000 1.088 60 L HN 0.468 nan 8.230 nan 0.000 0.479 61 D N 1.349 121.702 120.400 -0.078 0.000 2.149 61 D HA -0.172 4.469 4.640 0.001 0.000 0.194 61 D C -0.481 175.786 176.300 -0.056 0.000 1.001 61 D CA 1.522 55.493 54.000 -0.048 0.000 0.849 61 D CB -1.191 39.597 40.800 -0.020 0.000 0.939 61 D HN 0.271 nan 8.370 nan 0.000 0.449 62 P HA -0.086 nan 4.420 nan 0.000 0.216 62 P C 1.800 179.067 177.300 -0.054 0.000 1.150 62 P CA 0.626 63.712 63.100 -0.024 0.000 0.837 62 P CB 0.108 31.809 31.700 0.002 0.000 0.786 63 V N 0.102 119.826 119.914 -0.316 0.000 2.427 63 V HA -0.216 3.905 4.120 0.001 0.000 0.248 63 V C 2.105 178.068 176.094 -0.218 0.000 1.051 63 V CA 1.731 63.757 62.300 -0.457 0.000 1.048 63 V CB -1.053 30.371 31.823 -0.665 0.000 0.666 63 V HN 0.170 nan 8.190 nan 0.000 0.456 64 K N -0.144 120.150 120.400 -0.177 0.000 2.217 64 K HA -0.120 4.200 4.320 0.001 0.000 0.202 64 K C 2.376 179.003 176.600 0.045 0.000 1.051 64 K CA 1.019 57.245 56.287 -0.101 0.000 0.952 64 K CB -0.140 32.375 32.500 0.025 0.000 0.736 64 K HN 0.308 nan 8.250 nan 0.000 0.453 65 R N 0.514 121.033 120.500 0.032 0.000 2.075 65 R HA 0.019 4.360 4.340 0.001 0.000 0.226 65 R C 0.345 176.681 176.300 0.060 0.000 1.114 65 R CA 0.950 57.085 56.100 0.057 0.000 0.972 65 R CB 0.457 30.783 30.300 0.044 0.000 0.869 65 R HN -0.110 nan 8.270 nan 0.000 0.437 66 R N 0.211 120.756 120.500 0.074 0.000 2.629 66 R HA 0.198 4.539 4.340 0.001 0.000 0.277 66 R C -2.181 174.179 176.300 0.100 0.000 1.637 66 R CA -1.833 54.308 56.100 0.069 0.000 1.663 66 R CB 1.412 31.748 30.300 0.059 0.000 1.228 66 R HN 0.266 nan 8.270 nan 0.000 0.632 67 P HA -0.136 nan 4.420 nan 0.000 0.218 67 P C 1.247 178.536 177.300 -0.018 0.000 1.148 67 P CA 1.156 64.229 63.100 -0.045 0.000 0.822 67 P CB 0.310 31.854 31.700 -0.260 0.000 0.784 68 G N -0.136 108.633 108.800 -0.051 0.000 2.498 68 G HA2 -0.205 3.756 3.960 0.001 0.000 0.219 68 G HA3 -0.205 3.756 3.960 0.001 0.000 0.219 68 G C 1.464 176.295 174.900 -0.114 0.000 1.119 68 G CA 0.357 45.412 45.100 -0.076 0.000 0.766 68 G HN 0.289 nan 8.290 nan 0.000 0.552 69 M N -1.030 118.480 119.600 -0.151 0.000 2.556 69 M HA 0.271 4.752 4.480 0.001 0.000 0.245 69 M C 1.072 177.017 176.300 -0.591 0.000 1.128 69 M CA 0.674 55.753 55.300 -0.368 0.000 1.069 69 M CB 0.395 32.717 32.600 -0.462 0.000 1.469 69 M HN 0.310 nan 8.290 nan 0.000 0.494 70 Y N -1.735 118.517 120.300 -0.081 0.000 2.432 70 Y HA 0.335 4.886 4.550 0.001 0.000 0.252 70 Y C 0.780 176.658 175.900 -0.036 0.000 1.097 70 Y CA -0.160 57.906 58.100 -0.058 0.000 1.250 70 Y CB 0.924 39.348 38.460 -0.060 0.000 1.245 70 Y HN 0.066 nan 8.280 nan 0.000 0.522 71 T N -1.128 113.450 114.554 0.040 0.000 2.711 71 T HA 0.189 4.540 4.350 0.001 0.000 0.302 71 T C -2.195 172.461 174.700 -0.074 0.000 1.373 71 T CA -0.738 61.374 62.100 0.020 0.000 1.000 71 T CB 1.371 70.420 68.868 0.303 0.000 1.483 71 T HN -0.065 nan 8.240 nan 0.000 0.499 72 D N 1.117 121.489 120.400 -0.048 0.000 2.380 72 D HA 0.256 4.896 4.640 0.001 0.000 0.230 72 D C 1.442 177.831 176.300 0.148 0.000 1.154 72 D CA -0.065 53.934 54.000 -0.000 0.000 0.859 72 D CB 1.133 41.928 40.800 -0.008 0.000 1.045 72 D HN 0.589 nan 8.370 nan 0.000 0.495 73 T N 0.989 115.576 114.554 0.055 0.000 3.215 73 T HA 0.128 4.479 4.350 0.001 0.000 0.254 73 T C 1.678 176.494 174.700 0.194 0.000 1.149 73 T CA 0.382 62.497 62.100 0.024 0.000 1.042 73 T CB 0.047 68.822 68.868 -0.154 0.000 0.966 73 T HN 0.295 nan 8.240 nan 0.000 0.534 74 A N 2.435 125.358 122.820 0.170 0.000 1.877 74 A HA 0.156 4.476 4.320 0.001 0.000 0.216 74 A C 1.376 179.068 177.584 0.180 0.000 1.186 74 A CA 0.848 52.966 52.037 0.135 0.000 0.620 74 A CB -0.219 18.827 19.000 0.077 0.000 0.822 74 A HN 0.833 nan 8.150 nan 0.000 0.443 75 R N -3.971 116.650 120.500 0.202 0.000 2.747 75 R HA 0.404 4.744 4.340 0.001 0.000 0.272 75 R C -3.125 173.056 176.300 -0.199 0.000 1.032 75 R CA -1.396 54.694 56.100 -0.016 0.000 0.896 75 R CB 0.151 30.392 30.300 -0.097 0.000 1.253 75 R HN -0.182 nan 8.270 nan 0.000 0.461 76 P HA 0.100 nan 4.420 nan 0.000 0.245 76 P C -0.043 177.211 177.300 -0.078 0.000 1.212 76 P CA 0.430 63.127 63.100 -0.672 0.000 0.774 76 P CB 0.015 31.115 31.700 -1.000 0.000 0.999 77 N N -0.531 118.185 118.700 0.026 0.000 2.061 77 N HA -0.233 4.507 4.740 0.001 0.000 0.193 77 N C 1.694 177.330 175.510 0.211 0.000 1.030 77 N CA 1.412 54.616 53.050 0.257 0.000 0.856 77 N CB -0.929 37.671 38.487 0.188 0.000 1.023 77 N HN 0.290 nan 8.380 nan 0.000 0.424 78 H N 0.410 119.529 119.070 0.082 0.000 2.353 78 H HA 0.045 4.601 4.556 0.001 0.000 0.300 78 H C 1.832 177.178 175.328 0.029 0.000 1.090 78 H CA 1.357 57.426 56.048 0.035 0.000 1.327 78 H CB -0.351 29.419 29.762 0.014 0.000 1.383 78 H HN 0.151 nan 8.280 nan 0.000 0.508 79 L N -0.294 120.893 121.223 -0.059 0.000 2.012 79 L HA -0.215 4.126 4.340 0.001 0.000 0.210 79 L C 2.845 179.592 176.870 -0.204 0.000 1.073 79 L CA 1.206 55.898 54.840 -0.247 0.000 0.748 79 L CB -0.894 40.995 42.059 -0.284 0.000 0.891 79 L HN 0.461 nan 8.230 nan 0.000 0.431 80 A N -0.434 122.492 122.820 0.176 0.000 1.902 80 A HA -0.259 4.062 4.320 0.001 0.000 0.217 80 A C 2.209 179.828 177.584 0.060 0.000 1.181 80 A CA 1.632 53.838 52.037 0.280 0.000 0.623 80 A CB -0.492 18.704 19.000 0.326 0.000 0.818 80 A HN 0.489 nan 8.150 nan 0.000 0.443 81 Q N -0.765 119.022 119.800 -0.021 0.000 2.096 81 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 81 Q C 2.040 177.969 176.000 -0.118 0.000 0.982 81 Q CA 1.459 57.226 55.803 -0.060 0.000 0.850 81 Q CB -0.170 28.529 28.738 -0.065 0.000 0.901 81 Q HN 0.570 nan 8.270 nan 0.000 0.422 82 E N 0.020 120.064 120.200 -0.259 0.000 2.058 82 E HA -0.156 4.195 4.350 0.001 0.000 0.194 82 E C 2.140 178.675 176.600 -0.108 0.000 0.997 82 E CA 1.058 57.330 56.400 -0.214 0.000 0.801 82 E CB -0.166 29.354 29.700 -0.300 0.000 0.746 82 E HN 0.190 nan 8.360 nan 0.000 0.450 83 V N 1.366 121.225 119.914 -0.091 0.000 2.358 83 V HA -0.216 3.905 4.120 0.001 0.000 0.246 83 V C 2.448 178.553 176.094 0.018 0.000 1.047 83 V CA 1.290 63.581 62.300 -0.016 0.000 1.035 83 V CB -0.434 31.430 31.823 0.067 0.000 0.658 83 V HN 0.189 nan 8.190 nan 0.000 0.452 84 I N 0.209 120.792 120.570 0.023 0.000 2.226 84 I HA -0.238 3.932 4.170 0.001 0.000 0.245 84 I C 2.331 178.463 176.117 0.025 0.000 1.100 84 I CA 1.604 62.922 61.300 0.030 0.000 1.374 84 I CB -0.524 37.493 38.000 0.029 0.000 1.057 84 I HN 0.308 nan 8.210 nan 0.000 0.413 85 D N 0.917 121.326 120.400 0.015 0.000 2.123 85 D HA -0.179 4.462 4.640 0.001 0.000 0.196 85 D C 1.901 178.217 176.300 0.027 0.000 0.992 85 D CA 1.155 55.171 54.000 0.027 0.000 0.833 85 D CB -0.519 40.301 40.800 0.033 0.000 0.954 85 D HN 0.325 nan 8.370 nan 0.000 0.455 86 N N 0.274 118.984 118.700 0.017 0.000 2.223 86 N HA -0.081 4.660 4.740 0.001 0.000 0.185 86 N C 1.787 177.318 175.510 0.035 0.000 1.016 86 N CA 0.678 53.742 53.050 0.022 0.000 0.863 86 N CB -0.091 38.402 38.487 0.010 0.000 0.983 86 N HN 0.049 nan 8.380 nan 0.000 0.429 87 S N 0.340 116.063 115.700 0.038 0.000 2.395 87 S HA 0.003 4.474 4.470 0.001 0.000 0.225 87 S C 2.265 176.894 174.600 0.049 0.000 1.027 87 S CA 0.327 58.556 58.200 0.048 0.000 0.965 87 S CB -0.060 63.170 63.200 0.051 0.000 0.812 87 S HN 0.064 nan 8.310 nan 0.000 0.482 88 V N 2.741 122.679 119.914 0.040 0.000 2.407 88 V HA -0.191 3.930 4.120 0.001 0.000 0.248 88 V C 2.026 178.142 176.094 0.036 0.000 1.055 88 V CA 1.705 64.025 62.300 0.034 0.000 1.049 88 V CB -0.713 31.125 31.823 0.024 0.000 0.662 88 V HN 0.381 nan 8.190 nan 0.000 0.455 89 D N -0.238 120.186 120.400 0.041 0.000 2.123 89 D HA -0.159 4.482 4.640 0.001 0.000 0.196 89 D C 2.259 178.596 176.300 0.062 0.000 0.992 89 D CA 1.056 55.083 54.000 0.045 0.000 0.833 89 D CB -0.179 40.649 40.800 0.047 0.000 0.954 89 D HN 0.405 nan 8.370 nan 0.000 0.455 90 E N 0.495 120.742 120.200 0.079 0.000 2.153 90 E HA -0.106 4.245 4.350 0.001 0.000 0.194 90 E C 2.029 178.686 176.600 0.094 0.000 0.988 90 E CA 0.739 57.214 56.400 0.124 0.000 0.811 90 E CB -0.159 29.611 29.700 0.116 0.000 0.746 90 E HN 0.241 nan 8.360 nan 0.000 0.466 91 A N 0.876 123.731 122.820 0.058 0.000 1.897 91 A HA -0.072 4.249 4.320 0.001 0.000 0.215 91 A C 2.341 179.927 177.584 0.003 0.000 1.181 91 A CA 0.747 52.805 52.037 0.036 0.000 0.620 91 A CB -0.602 18.422 19.000 0.039 0.000 0.821 91 A HN 0.180 nan 8.150 nan 0.000 0.443 92 L N -0.744 120.481 121.223 0.003 0.000 2.191 92 L HA -0.144 4.197 4.340 0.001 0.000 0.212 92 L C 2.667 179.513 176.870 -0.040 0.000 1.103 92 L CA 0.876 55.708 54.840 -0.013 0.000 0.769 92 L CB -0.316 41.742 42.059 -0.001 0.000 0.908 92 L HN 0.427 nan 8.230 nan 0.000 0.438 93 A N -0.524 122.265 122.820 -0.052 0.000 2.251 93 A HA 0.311 4.632 4.320 0.001 0.000 0.209 93 A C 1.724 179.092 177.584 -0.360 0.000 1.187 93 A CA 0.652 52.602 52.037 -0.144 0.000 0.823 93 A CB -0.390 18.587 19.000 -0.038 0.000 0.846 93 A HN 0.492 nan 8.150 nan 0.000 0.486 94 G N -1.522 107.145 108.800 -0.223 0.000 2.143 94 G HA2 -0.321 3.640 3.960 0.001 0.000 0.248 94 G HA3 -0.321 3.640 3.960 0.001 0.000 0.248 94 G C 0.422 175.186 174.900 -0.227 0.000 0.991 94 G CA 0.954 45.927 45.100 -0.211 0.000 0.689 94 G HN 0.757 nan 8.290 nan 0.000 0.522 95 H N -0.296 118.789 119.070 0.024 0.000 2.557 95 H HA 0.587 5.143 4.556 0.001 0.000 0.281 95 H C 1.766 177.111 175.328 0.028 0.000 0.990 95 H CA 0.723 56.785 56.048 0.024 0.000 1.278 95 H CB 0.580 30.356 29.762 0.023 0.000 1.451 95 H HN 0.652 nan 8.280 nan 0.000 0.516 96 A N 0.615 123.517 122.820 0.136 0.000 2.325 96 A HA 0.448 4.769 4.320 0.001 0.000 0.333 96 A C 0.319 177.945 177.584 0.070 0.000 1.155 96 A CA -0.572 51.522 52.037 0.095 0.000 0.814 96 A CB 1.015 20.067 19.000 0.087 0.000 1.206 96 A HN 0.188 nan 8.150 nan 0.000 0.482 97 K N -0.007 120.433 120.400 0.065 0.000 2.521 97 K HA 0.181 4.501 4.320 0.001 0.000 0.213 97 K C -0.324 176.316 176.600 0.066 0.000 1.223 97 K CA 0.297 56.625 56.287 0.067 0.000 1.013 97 K CB 1.123 33.658 32.500 0.059 0.000 1.017 97 K HN 0.727 nan 8.250 nan 0.000 0.591 98 Q N 0.749 120.583 119.800 0.056 0.000 2.271 98 Q HA 0.521 4.862 4.340 0.001 0.000 0.268 98 Q C -1.687 174.344 176.000 0.051 0.000 1.021 98 Q CA -0.175 55.657 55.803 0.048 0.000 0.802 98 Q CB 1.775 30.528 28.738 0.025 0.000 1.282 98 Q HN 0.054 nan 8.270 nan 0.000 0.431 99 I N 2.866 123.471 120.570 0.059 0.000 2.499 99 I HA 0.417 4.588 4.170 0.001 0.000 0.288 99 I C -0.783 175.367 176.117 0.056 0.000 1.048 99 I CA -0.632 60.703 61.300 0.059 0.000 1.062 99 I CB 2.295 40.336 38.000 0.068 0.000 1.238 99 I HN 0.573 nan 8.210 nan 0.000 0.426 100 E N 5.302 125.524 120.200 0.037 0.000 2.210 100 E HA 0.579 4.930 4.350 0.001 0.000 0.266 100 E C -1.342 175.260 176.600 0.004 0.000 0.883 100 E CA -0.734 55.679 56.400 0.021 0.000 0.761 100 E CB 3.239 32.938 29.700 -0.001 0.000 1.156 100 E HN 0.199 nan 8.360 nan 0.000 0.412 101 V N 2.541 122.452 119.914 -0.004 0.000 2.495 101 V HA 0.438 4.559 4.120 0.001 0.000 0.298 101 V C -0.294 175.721 176.094 -0.131 0.000 1.031 101 V CA -0.535 61.731 62.300 -0.057 0.000 0.871 101 V CB 1.990 33.792 31.823 -0.035 0.000 0.988 101 V HN 0.704 nan 8.190 nan 0.000 0.432 102 T N 6.056 120.464 114.554 -0.244 0.000 2.848 102 T HA 0.630 4.981 4.350 0.001 0.000 0.285 102 T C -0.605 173.742 174.700 -0.588 0.000 0.995 102 T CA -0.381 61.452 62.100 -0.446 0.000 0.970 102 T CB 1.188 69.653 68.868 -0.672 0.000 0.976 102 T HN 0.363 nan 8.240 nan 0.000 0.441 103 L N 3.769 124.657 121.223 -0.559 0.000 2.298 103 L HA 0.520 4.860 4.340 0.001 0.000 0.284 103 L C -0.877 175.727 176.870 -0.444 0.000 1.013 103 L CA -0.981 53.551 54.840 -0.513 0.000 0.824 103 L CB 0.652 42.457 42.059 -0.423 0.000 1.221 103 L HN 0.633 nan 8.230 nan 0.000 0.418 104 Y N 1.849 122.016 120.300 -0.222 0.000 2.354 104 Y HA 0.218 4.769 4.550 0.001 0.000 0.322 104 Y C 1.339 177.208 175.900 -0.051 0.000 1.253 104 Y CA -0.534 57.487 58.100 -0.131 0.000 1.272 104 Y CB 1.208 39.571 38.460 -0.162 0.000 1.255 104 Y HN 0.433 nan 8.280 nan 0.000 0.500 105 K N 0.320 120.818 120.400 0.164 0.000 2.209 105 K HA -0.168 4.153 4.320 0.001 0.000 0.204 105 K C 0.854 177.533 176.600 0.132 0.000 1.048 105 K CA 1.624 57.982 56.287 0.118 0.000 0.940 105 K CB -0.129 32.431 32.500 0.101 0.000 0.729 105 K HN 0.737 nan 8.250 nan 0.000 0.451 106 D N -0.567 119.932 120.400 0.164 0.000 2.378 106 D HA -0.029 4.612 4.640 0.001 0.000 0.227 106 D C 1.095 177.505 176.300 0.182 0.000 1.012 106 D CA 0.888 54.996 54.000 0.181 0.000 0.905 106 D CB -0.006 40.945 40.800 0.250 0.000 0.895 106 D HN 0.287 nan 8.370 nan 0.000 0.532 107 G N -0.109 108.776 108.800 0.142 0.000 2.176 107 G HA2 -0.295 3.666 3.960 0.001 0.000 0.253 107 G HA3 -0.295 3.666 3.960 0.001 0.000 0.253 107 G C 0.448 175.400 174.900 0.086 0.000 0.979 107 G CA 0.491 45.680 45.100 0.149 0.000 0.641 107 G HN 0.852 nan 8.290 nan 0.000 0.530 108 S N -1.148 114.460 115.700 -0.153 0.000 2.645 108 S HA 0.658 5.129 4.470 0.001 0.000 0.266 108 S C 0.296 174.607 174.600 -0.482 0.000 1.258 108 S CA -0.017 57.823 58.200 -0.601 0.000 0.990 108 S CB 2.162 64.402 63.200 -1.600 0.000 0.967 108 S HN 1.656 nan 8.310 nan 0.000 0.556 109 C N 1.022 119.805 119.300 -0.861 0.000 2.609 109 C HA 0.752 5.213 4.460 0.001 0.000 0.313 109 C C -0.829 173.802 174.990 -0.599 0.000 1.175 109 C CA -0.325 58.219 59.018 -0.789 0.000 1.434 109 C CB 0.595 27.711 27.740 -1.039 0.000 2.005 109 C HN 1.106 nan 8.230 nan 0.000 0.471 110 E N 3.357 123.396 120.200 -0.269 0.000 2.266 110 E HA 0.777 5.128 4.350 0.001 0.000 0.268 110 E C -1.697 174.874 176.600 -0.049 0.000 0.879 110 E CA -0.538 55.809 56.400 -0.089 0.000 0.762 110 E CB 2.126 31.869 29.700 0.073 0.000 1.199 110 E HN 0.616 nan 8.360 nan 0.000 0.422 111 V N 2.779 122.711 119.914 0.030 0.000 2.525 111 V HA 0.427 4.548 4.120 0.001 0.000 0.299 111 V C -0.664 175.466 176.094 0.061 0.000 1.034 111 V CA -0.669 61.657 62.300 0.042 0.000 0.863 111 V CB 1.626 33.493 31.823 0.073 0.000 0.999 111 V HN 0.612 nan 8.190 nan 0.000 0.423 112 S N 3.453 119.181 115.700 0.047 0.000 2.500 112 S HA 0.805 5.276 4.470 0.001 0.000 0.301 112 S C -1.191 173.439 174.600 0.050 0.000 1.092 112 S CA -0.583 57.650 58.200 0.055 0.000 1.030 112 S CB 1.494 64.717 63.200 0.039 0.000 1.031 112 S HN 1.024 nan 8.310 nan 0.000 0.483 113 D N 1.058 121.493 120.400 0.057 0.000 2.552 113 D HA 0.399 5.039 4.640 0.001 0.000 0.239 113 D C -0.981 175.351 176.300 0.054 0.000 1.139 113 D CA -0.692 53.341 54.000 0.055 0.000 0.914 113 D CB 0.831 41.666 40.800 0.060 0.000 1.461 113 D HN 0.344 nan 8.370 nan 0.000 0.462 114 D N -0.145 120.287 120.400 0.053 0.000 2.895 114 D HA 0.260 4.901 4.640 0.001 0.000 0.258 114 D C 0.703 177.040 176.300 0.061 0.000 1.311 114 D CA -0.589 53.441 54.000 0.051 0.000 0.843 114 D CB -0.042 40.783 40.800 0.042 0.000 1.055 114 D HN 0.468 nan 8.370 nan 0.000 0.486 115 G N 0.434 109.273 108.800 0.065 0.000 2.489 115 G HA2 0.085 4.046 3.960 0.001 0.000 0.271 115 G HA3 0.085 4.046 3.960 0.001 0.000 0.271 115 G C 0.885 175.805 174.900 0.033 0.000 1.427 115 G CA -0.743 44.401 45.100 0.074 0.000 1.057 115 G HN 0.123 nan 8.290 nan 0.000 0.532 116 R N -0.527 119.960 120.500 -0.021 0.000 2.189 116 R HA 0.226 4.567 4.340 0.001 0.000 0.218 116 R C 1.241 177.523 176.300 -0.031 0.000 1.074 116 R CA 0.788 56.841 56.100 -0.079 0.000 0.991 116 R CB -0.318 29.856 30.300 -0.209 0.000 0.883 116 R HN 0.953 nan 8.270 nan 0.000 0.457 117 G N 1.089 109.886 108.800 -0.004 0.000 2.777 117 G HA2 -0.248 3.712 3.960 0.001 0.000 0.686 117 G HA3 -0.248 3.712 3.960 0.001 0.000 0.686 117 G C -0.306 174.588 174.900 -0.011 0.000 1.177 117 G CA -0.829 44.278 45.100 0.013 0.000 0.775 117 G HN 0.043 nan 8.290 nan 0.000 0.613 118 M N 2.705 122.304 119.600 -0.001 0.000 2.251 118 M HA 0.146 4.627 4.480 0.001 0.000 0.343 118 M C -1.723 174.549 176.300 -0.046 0.000 1.245 118 M CA -0.681 54.611 55.300 -0.014 0.000 1.061 118 M CB 0.061 32.663 32.600 0.003 0.000 1.723 118 M HN 0.316 nan 8.290 nan 0.000 0.449 119 P HA -0.052 nan 4.420 nan 0.000 0.262 119 P C 0.140 177.387 177.300 -0.088 0.000 1.182 119 P CA 0.088 63.151 63.100 -0.061 0.000 0.761 119 P CB 0.252 31.931 31.700 -0.035 0.000 0.795 120 V N -0.264 119.560 119.914 -0.150 0.000 3.039 120 V HA 0.208 4.329 4.120 0.001 0.000 0.369 120 V C 0.185 176.217 176.094 -0.104 0.000 1.344 120 V CA -0.399 61.774 62.300 -0.211 0.000 1.270 120 V CB -0.768 30.709 31.823 -0.577 0.000 1.284 120 V HN 0.390 nan 8.190 nan 0.000 0.518 121 D N 0.150 120.518 120.400 -0.052 0.000 2.437 121 D HA 0.433 5.074 4.640 0.001 0.000 0.259 121 D C -0.207 176.096 176.300 0.005 0.000 1.118 121 D CA -0.907 53.081 54.000 -0.020 0.000 1.017 121 D CB 1.654 42.441 40.800 -0.022 0.000 1.120 121 D HN 0.069 nan 8.370 nan 0.000 0.541 122 I N 0.470 121.049 120.570 0.014 0.000 2.412 122 I HA 0.105 4.275 4.170 0.001 0.000 0.296 122 I C 0.434 176.583 176.117 0.054 0.000 0.987 122 I CA -0.622 60.703 61.300 0.042 0.000 1.180 122 I CB 0.787 38.809 38.000 0.036 0.000 1.340 122 I HN 0.500 nan 8.210 nan 0.000 0.455 123 H N 8.606 127.678 119.070 0.003 0.000 2.975 123 H HA 0.102 4.658 4.556 0.001 0.000 0.303 123 H C -1.550 173.780 175.328 0.003 0.000 1.023 123 H CA -1.038 55.011 56.048 0.003 0.000 1.473 123 H CB 1.430 31.195 29.762 0.005 0.000 1.498 123 H HN 0.331 nan 8.280 nan 0.000 0.549 124 P HA -0.170 nan 4.420 nan 0.000 0.218 124 P C 1.142 178.497 177.300 0.092 0.000 1.148 124 P CA 1.244 64.333 63.100 -0.019 0.000 0.822 124 P CB 0.489 32.132 31.700 -0.096 0.000 0.784 125 E N -0.293 120.065 120.200 0.263 0.000 2.079 125 E HA -0.084 4.267 4.350 0.001 0.000 0.191 125 E C 1.946 178.661 176.600 0.192 0.000 0.961 125 E CA 0.357 56.904 56.400 0.244 0.000 0.823 125 E CB 0.031 29.901 29.700 0.283 0.000 0.789 125 E HN -0.001 nan 8.360 nan 0.000 0.459 126 E N 0.965 121.298 120.200 0.222 0.000 2.208 126 E HA -0.112 4.239 4.350 0.001 0.000 0.193 126 E C 0.294 176.920 176.600 0.043 0.000 0.988 126 E CA 0.556 56.940 56.400 -0.025 0.000 0.828 126 E CB -0.015 29.511 29.700 -0.289 0.000 0.763 126 E HN 0.236 nan 8.360 nan 0.000 0.478 127 K N 0.179 120.646 120.400 0.111 0.000 3.129 127 K HA -0.193 4.128 4.320 0.001 0.000 0.273 127 K C 0.154 176.785 176.600 0.052 0.000 1.123 127 K CA 0.817 57.147 56.287 0.072 0.000 0.800 127 K CB -2.025 30.502 32.500 0.044 0.000 1.238 127 K HN 0.346 nan 8.250 nan 0.000 0.492 128 I N -5.030 115.578 120.570 0.063 0.000 2.969 128 I HA 0.585 4.756 4.170 0.001 0.000 0.307 128 I C -2.775 173.382 176.117 0.067 0.000 1.149 128 I CA -3.294 58.033 61.300 0.045 0.000 1.008 128 I CB 2.277 40.293 38.000 0.025 0.000 1.232 128 I HN -0.337 nan 8.210 nan 0.000 0.435 129 P HA 0.069 nan 4.420 nan 0.000 0.265 129 P C 0.908 178.253 177.300 0.074 0.000 1.193 129 P CA 0.313 63.448 63.100 0.058 0.000 0.765 129 P CB 0.879 32.608 31.700 0.047 0.000 0.823 130 G N 2.627 111.470 108.800 0.071 0.000 2.475 130 G HA2 -0.258 3.703 3.960 0.001 0.000 0.220 130 G HA3 -0.258 3.703 3.960 0.001 0.000 0.220 130 G C 1.338 176.272 174.900 0.057 0.000 1.125 130 G CA 1.118 46.264 45.100 0.076 0.000 0.755 130 G HN 0.503 nan 8.290 nan 0.000 0.565 131 V N -1.091 118.858 119.914 0.058 0.000 2.515 131 V HA -0.060 4.061 4.120 0.001 0.000 0.250 131 V C 2.276 178.439 176.094 0.116 0.000 1.058 131 V CA 2.423 64.766 62.300 0.072 0.000 1.064 131 V CB -0.473 31.405 31.823 0.092 0.000 0.675 131 V HN 0.507 nan 8.190 nan 0.000 0.461 132 E N 0.498 120.801 120.200 0.172 0.000 2.072 132 E HA -0.143 4.208 4.350 0.001 0.000 0.191 132 E C 2.172 178.827 176.600 0.091 0.000 0.985 132 E CA 1.471 58.022 56.400 0.251 0.000 0.801 132 E CB -0.228 29.603 29.700 0.218 0.000 0.750 132 E HN 0.684 nan 8.360 nan 0.000 0.452 133 L N 0.691 121.939 121.223 0.042 0.000 2.046 133 L HA -0.189 4.152 4.340 0.001 0.000 0.208 133 L C 2.515 179.364 176.870 -0.034 0.000 1.077 133 L CA 0.975 55.808 54.840 -0.012 0.000 0.747 133 L CB -0.305 41.737 42.059 -0.029 0.000 0.896 133 L HN 0.275 nan 8.230 nan 0.000 0.432 134 I N -0.695 119.857 120.570 -0.029 0.000 2.226 134 I HA -0.289 3.882 4.170 0.001 0.000 0.245 134 I C 2.017 178.064 176.117 -0.117 0.000 1.100 134 I CA 1.228 62.495 61.300 -0.055 0.000 1.374 134 I CB -0.077 37.901 38.000 -0.037 0.000 1.057 134 I HN 0.204 nan 8.210 nan 0.000 0.413 135 L N -0.092 121.018 121.223 -0.188 0.000 2.558 135 L HA -0.023 4.318 4.340 0.001 0.000 0.225 135 L C 1.991 178.678 176.870 -0.305 0.000 1.128 135 L CA 1.244 55.874 54.840 -0.350 0.000 0.868 135 L CB -0.391 41.212 42.059 -0.759 0.000 1.006 135 L HN 0.343 nan 8.230 nan 0.000 0.454 136 T N -4.806 109.648 114.554 -0.167 0.000 3.043 136 T HA 0.317 4.668 4.350 0.001 0.000 0.272 136 T C 0.890 175.542 174.700 -0.081 0.000 0.990 136 T CA -0.483 61.557 62.100 -0.100 0.000 0.897 136 T CB 0.473 69.337 68.868 -0.007 0.000 1.111 136 T HN -0.137 nan 8.240 nan 0.000 0.529 156 H N 0.903 120.013 119.070 0.067 0.000 2.865 156 H HA 0.584 5.141 4.556 0.001 0.000 0.362 156 H C 0.439 175.812 175.328 0.076 0.000 1.114 156 H CA -0.026 56.080 56.048 0.097 0.000 1.208 156 H CB 2.263 32.048 29.762 0.037 0.000 1.727 156 H HN 0.818 nan 8.280 nan 0.000 0.534 157 G N 1.354 110.253 108.800 0.165 0.000 2.182 157 G HA2 -0.285 3.676 3.960 0.001 0.000 0.248 157 G HA3 -0.285 3.676 3.960 0.001 0.000 0.248 157 G C 0.995 175.946 174.900 0.085 0.000 1.042 157 G CA 0.693 45.855 45.100 0.104 0.000 0.775 157 G HN 0.873 nan 8.290 nan 0.000 0.501 158 V N -2.551 117.419 119.914 0.093 0.000 2.871 158 V HA 0.560 4.680 4.120 0.001 0.000 0.256 158 V C 1.568 177.691 176.094 0.048 0.000 1.082 158 V CA 1.327 63.689 62.300 0.104 0.000 1.105 158 V CB -0.302 31.626 31.823 0.174 0.000 0.713 158 V HN 2.432 nan 8.190 nan 0.000 0.473 159 G N -0.990 107.813 108.800 0.005 0.000 2.617 159 G HA2 -0.048 3.912 3.960 0.001 0.000 0.686 159 G HA3 -0.048 3.912 3.960 0.001 0.000 0.686 159 G C -0.139 174.713 174.900 -0.081 0.000 1.214 159 G CA -0.106 44.974 45.100 -0.033 0.000 0.796 159 G HN 0.945 nan 8.290 nan 0.000 0.654 160 V N 1.433 121.288 119.914 -0.098 0.000 2.913 160 V HA -0.052 4.069 4.120 0.001 0.000 0.260 160 V C 2.773 178.763 176.094 -0.174 0.000 1.098 160 V CA 3.340 65.556 62.300 -0.141 0.000 1.121 160 V CB -0.456 31.296 31.823 -0.118 0.000 0.714 160 V HN 1.834 nan 8.190 nan 0.000 0.487 161 S N -0.737 114.868 115.700 -0.158 0.000 2.399 161 S HA -0.153 4.318 4.470 0.001 0.000 0.231 161 S C 1.841 176.325 174.600 -0.193 0.000 1.022 161 S CA 1.640 59.729 58.200 -0.185 0.000 0.983 161 S CB -0.501 62.604 63.200 -0.158 0.000 0.803 161 S HN 0.429 nan 8.310 nan 0.000 0.480 162 V N 1.667 121.476 119.914 -0.175 0.000 2.427 162 V HA -0.112 4.009 4.120 0.001 0.000 0.248 162 V C 2.630 178.619 176.094 -0.175 0.000 1.051 162 V CA 1.484 63.678 62.300 -0.177 0.000 1.048 162 V CB -0.753 31.018 31.823 -0.087 0.000 0.666 162 V HN 0.465 nan 8.190 nan 0.000 0.456 163 V N 0.740 120.523 119.914 -0.217 0.000 2.295 163 V HA -0.254 3.867 4.120 0.001 0.000 0.246 163 V C 2.379 178.356 176.094 -0.195 0.000 1.049 163 V CA 2.390 64.505 62.300 -0.309 0.000 1.024 163 V CB -0.949 30.576 31.823 -0.497 0.000 0.648 163 V HN 0.640 nan 8.190 nan 0.000 0.447 164 N N 0.876 119.470 118.700 -0.177 0.000 2.120 164 N HA -0.137 4.604 4.740 0.001 0.000 0.188 164 N C 1.725 177.200 175.510 -0.059 0.000 1.024 164 N CA 1.784 54.763 53.050 -0.118 0.000 0.852 164 N CB -0.358 37.973 38.487 -0.260 0.000 1.003 164 N HN 0.404 nan 8.380 nan 0.000 0.424 165 A N 0.112 122.863 122.820 -0.115 0.000 1.972 165 A HA 0.010 4.331 4.320 0.001 0.000 0.219 165 A C 1.779 179.300 177.584 -0.104 0.000 1.169 165 A CA 0.918 52.887 52.037 -0.113 0.000 0.635 165 A CB -0.457 18.424 19.000 -0.199 0.000 0.810 165 A HN 0.371 nan 8.150 nan 0.000 0.446 166 L N -0.057 121.102 121.223 -0.108 0.000 2.791 166 L HA 0.209 4.550 4.340 0.001 0.000 0.239 166 L C -0.239 176.800 176.870 0.282 0.000 1.203 166 L CA -0.263 54.525 54.840 -0.087 0.000 1.002 166 L CB 0.174 42.127 42.059 -0.176 0.000 1.295 166 L HN 0.084 nan 8.230 nan 0.000 0.504 167 S N -0.915 114.934 115.700 0.249 0.000 2.500 167 S HA 0.218 4.689 4.470 0.001 0.000 0.301 167 S C 1.152 175.934 174.600 0.303 0.000 1.092 167 S CA -0.470 57.935 58.200 0.341 0.000 1.030 167 S CB 1.932 65.347 63.200 0.358 0.000 1.031 167 S HN 0.358 nan 8.310 nan 0.000 0.483 168 T N -0.288 114.448 114.554 0.304 0.000 2.995 168 T HA 0.090 4.441 4.350 0.001 0.000 0.269 168 T C 0.455 175.251 174.700 0.160 0.000 1.091 168 T CA 0.780 62.998 62.100 0.197 0.000 1.128 168 T CB -0.139 68.813 68.868 0.140 0.000 0.891 168 T HN 0.527 nan 8.240 nan 0.000 0.492 169 K N -0.229 120.325 120.400 0.257 0.000 2.562 169 K HA 0.571 4.892 4.320 0.001 0.000 0.267 169 K C -2.379 174.520 176.600 0.498 0.000 0.938 169 K CA -0.839 55.580 56.287 0.220 0.000 0.840 169 K CB 2.690 35.097 32.500 -0.155 0.000 1.390 169 K HN -0.013 nan 8.250 nan 0.000 0.428 170 V N 2.430 122.605 119.914 0.436 0.000 2.733 170 V HA 0.403 4.523 4.120 0.001 0.000 0.306 170 V C -1.258 175.107 176.094 0.451 0.000 1.084 170 V CA -0.712 61.891 62.300 0.504 0.000 0.905 170 V CB 1.811 33.848 31.823 0.356 0.000 1.010 170 V HN 0.866 nan 8.190 nan 0.000 0.424 171 E N 4.631 125.101 120.200 0.449 0.000 2.246 171 E HA 0.772 5.123 4.350 0.001 0.000 0.266 171 E C -1.629 175.080 176.600 0.181 0.000 0.880 171 E CA -0.675 55.879 56.400 0.258 0.000 0.762 171 E CB 1.938 31.810 29.700 0.286 0.000 1.180 171 E HN 0.703 nan 8.360 nan 0.000 0.416 172 L N 0.690 121.928 121.223 0.024 0.000 2.388 172 L HA 0.737 5.078 4.340 0.001 0.000 0.264 172 L C -1.216 175.542 176.870 -0.187 0.000 0.998 172 L CA -1.017 53.851 54.840 0.046 0.000 0.817 172 L CB 1.497 43.633 42.059 0.128 0.000 1.338 172 L HN 0.373 nan 8.230 nan 0.000 0.414 173 F N 2.257 122.279 119.950 0.120 0.000 2.507 173 F HA 0.688 5.216 4.527 0.001 0.000 0.325 173 F C -0.240 175.625 175.800 0.109 0.000 1.116 173 F CA -0.424 57.641 58.000 0.109 0.000 0.930 173 F CB 2.155 41.206 39.000 0.085 0.000 1.146 173 F HN 0.303 nan 8.300 nan 0.000 0.447 174 I N 3.648 124.389 120.570 0.285 0.000 2.436 174 I HA 0.344 4.515 4.170 0.001 0.000 0.289 174 I C -0.823 175.467 176.117 0.288 0.000 1.010 174 I CA -0.807 60.622 61.300 0.215 0.000 1.098 174 I CB 1.903 39.965 38.000 0.103 0.000 1.266 174 I HN 0.450 nan 8.210 nan 0.000 0.434 175 K N 6.721 127.241 120.400 0.200 0.000 2.293 175 K HA 0.685 5.006 4.320 0.001 0.000 0.267 175 K C -0.617 176.071 176.600 0.147 0.000 1.010 175 K CA -0.715 55.681 56.287 0.183 0.000 0.875 175 K CB 2.010 34.577 32.500 0.113 0.000 1.106 175 K HN 0.509 nan 8.250 nan 0.000 0.450 176 R N 2.109 122.724 120.500 0.193 0.000 2.633 176 R HA 0.028 4.368 4.340 0.001 0.000 0.255 176 R C -1.197 175.195 176.300 0.154 0.000 1.106 176 R CA -0.295 55.876 56.100 0.117 0.000 0.959 176 R CB 1.057 31.376 30.300 0.032 0.000 1.259 176 R HN 0.746 nan 8.270 nan 0.000 0.453 177 E N 1.903 122.153 120.200 0.083 0.000 2.476 177 E HA -0.241 4.110 4.350 0.001 0.000 0.251 177 E C 0.493 177.139 176.600 0.078 0.000 1.130 177 E CA 1.166 57.610 56.400 0.073 0.000 0.736 177 E CB -1.175 28.569 29.700 0.074 0.000 1.298 177 E HN 1.098 nan 8.360 nan 0.000 0.400 178 G N -1.321 107.519 108.800 0.065 0.000 2.162 178 G HA2 -0.346 3.614 3.960 0.001 0.000 0.260 178 G HA3 -0.346 3.614 3.960 0.001 0.000 0.260 178 G C 0.203 175.119 174.900 0.027 0.000 0.976 178 G CA 0.421 45.545 45.100 0.041 0.000 0.655 178 G HN 0.426 nan 8.290 nan 0.000 0.533 179 S N -0.854 114.874 115.700 0.047 0.000 2.599 179 S HA 0.633 5.103 4.470 0.001 0.000 0.287 179 S C -0.661 173.875 174.600 -0.106 0.000 1.105 179 S CA -0.546 57.601 58.200 -0.087 0.000 0.899 179 S CB 2.471 65.528 63.200 -0.238 0.000 1.100 179 S HN 0.494 nan 8.310 nan 0.000 0.482 180 E N 0.997 121.085 120.200 -0.187 0.000 2.158 180 E HA 0.465 4.815 4.350 0.001 0.000 0.271 180 E C -1.415 175.093 176.600 -0.153 0.000 0.911 180 E CA -0.473 55.916 56.400 -0.018 0.000 0.767 180 E CB 0.519 30.253 29.700 0.056 0.000 1.120 180 E HN 0.655 nan 8.360 nan 0.000 0.405 181 H N 2.197 121.338 119.070 0.119 0.000 2.616 181 H HA 0.576 5.132 4.556 0.001 0.000 0.353 181 H C -0.457 174.895 175.328 0.040 0.000 1.170 181 H CA -0.916 55.176 56.048 0.073 0.000 1.212 181 H CB 1.411 31.197 29.762 0.040 0.000 1.653 181 H HN 0.362 nan 8.280 nan 0.000 0.537 182 R N 1.643 122.172 120.500 0.048 0.000 2.651 182 R HA 0.619 4.960 4.340 0.001 0.000 0.278 182 R C -1.751 174.440 176.300 -0.182 0.000 1.010 182 R CA -0.893 55.062 56.100 -0.241 0.000 0.896 182 R CB 1.908 31.986 30.300 -0.370 0.000 1.211 182 R HN 0.785 nan 8.270 nan 0.000 0.456 183 M N 2.379 121.840 119.600 -0.232 0.000 2.421 183 M HA 0.347 4.828 4.480 0.001 0.000 0.287 183 M C -1.871 174.290 176.300 -0.231 0.000 1.183 183 M CA -0.441 54.732 55.300 -0.211 0.000 0.916 183 M CB 2.458 34.992 32.600 -0.109 0.000 1.701 183 M HN 0.747 nan 8.290 nan 0.000 0.470 184 E N 2.613 122.582 120.200 -0.385 0.000 2.256 184 E HA 0.687 5.038 4.350 0.001 0.000 0.267 184 E C -1.977 174.289 176.600 -0.557 0.000 0.892 184 E CA -0.529 55.712 56.400 -0.266 0.000 0.775 184 E CB 1.808 31.404 29.700 -0.175 0.000 1.207 184 E HN 0.596 nan 8.360 nan 0.000 0.420 185 F N 1.257 121.212 119.950 0.008 0.000 2.588 185 F HA 0.530 5.057 4.527 0.001 0.000 0.314 185 F C -0.124 175.689 175.800 0.022 0.000 1.069 185 F CA -0.923 57.087 58.000 0.016 0.000 0.931 185 F CB 2.142 41.163 39.000 0.034 0.000 1.260 185 F HN 0.287 nan 8.300 nan 0.000 0.465 186 R N 1.493 122.101 120.500 0.180 0.000 2.514 186 R HA 0.309 4.649 4.340 0.001 0.000 0.296 186 R C -1.245 175.127 176.300 0.120 0.000 1.012 186 R CA -0.405 55.760 56.100 0.108 0.000 0.897 186 R CB 0.953 31.270 30.300 0.028 0.000 1.184 186 R HN 0.772 nan 8.270 nan 0.000 0.440 187 D N 3.660 124.138 120.400 0.129 0.000 2.737 187 D HA -0.209 4.432 4.640 0.001 0.000 0.233 187 D C 0.733 177.102 176.300 0.114 0.000 1.155 187 D CA 1.939 56.016 54.000 0.128 0.000 0.667 187 D CB -0.924 39.935 40.800 0.097 0.000 1.060 187 D HN 1.085 nan 8.370 nan 0.000 0.427 188 G N -0.547 108.329 108.800 0.127 0.000 2.234 188 G HA2 -0.359 3.601 3.960 0.001 0.000 0.260 188 G HA3 -0.359 3.601 3.960 0.001 0.000 0.260 188 G C 0.174 175.162 174.900 0.147 0.000 0.987 188 G CA 0.419 45.569 45.100 0.085 0.000 0.625 188 G HN 0.554 nan 8.290 nan 0.000 0.532 189 N N 0.798 119.603 118.700 0.175 0.000 2.487 189 N HA 0.625 5.366 4.740 0.001 0.000 0.292 189 N C 0.347 175.992 175.510 0.226 0.000 1.108 189 N CA -0.171 52.985 53.050 0.176 0.000 0.956 189 N CB 1.350 39.887 38.487 0.084 0.000 1.176 189 N HN 0.591 nan 8.380 nan 0.000 0.484 190 A N 0.965 123.889 122.820 0.173 0.000 2.546 190 A HA 0.310 4.630 4.320 0.001 0.000 0.243 190 A C 0.774 178.253 177.584 -0.176 0.000 1.063 190 A CA 0.141 52.083 52.037 -0.158 0.000 0.757 190 A CB -0.158 18.762 19.000 -0.134 0.000 0.991 190 A HN 0.853 nan 8.150 nan 0.000 0.503 191 A N 2.125 124.768 122.820 -0.295 0.000 2.470 191 A HA 0.556 4.877 4.320 0.001 0.000 0.251 191 A C 0.746 178.213 177.584 -0.194 0.000 1.245 191 A CA 0.765 52.696 52.037 -0.177 0.000 0.932 191 A CB -0.289 18.634 19.000 -0.127 0.000 1.037 191 A HN 2.032 nan 8.150 nan 0.000 0.522 192 S N -1.469 114.073 115.700 -0.263 0.000 2.661 192 S HA 0.611 5.082 4.470 0.001 0.000 0.268 192 S C -1.376 173.102 174.600 -0.203 0.000 1.162 192 S CA -0.902 57.177 58.200 -0.202 0.000 0.817 192 S CB 1.037 64.119 63.200 -0.197 0.000 1.141 192 S HN -0.022 nan 8.310 nan 0.000 0.477 193 K N -0.031 120.288 120.400 -0.135 0.000 2.177 193 K HA 0.544 4.864 4.320 0.001 0.000 0.238 193 K C -0.651 175.895 176.600 -0.090 0.000 1.015 193 K CA -0.947 55.282 56.287 -0.097 0.000 0.922 193 K CB 0.583 33.050 32.500 -0.055 0.000 1.127 193 K HN 0.647 nan 8.250 nan 0.000 0.469 194 L N 2.271 123.467 121.223 -0.044 0.000 2.342 194 L HA 0.107 4.448 4.340 0.001 0.000 0.285 194 L C -0.401 176.483 176.870 0.024 0.000 1.095 194 L CA 0.586 55.423 54.840 -0.005 0.000 0.843 194 L CB -0.358 41.716 42.059 0.025 0.000 1.201 194 L HN 0.405 nan 8.230 nan 0.000 0.445 195 E N 3.633 123.841 120.200 0.013 0.000 2.231 195 E HA 0.366 4.717 4.350 0.001 0.000 0.277 195 E C -0.870 175.747 176.600 0.029 0.000 0.999 195 E CA -0.938 55.469 56.400 0.013 0.000 0.827 195 E CB 1.933 31.622 29.700 -0.018 0.000 1.101 195 E HN 0.350 nan 8.360 nan 0.000 0.393 196 V N 3.630 123.538 119.914 -0.009 0.000 2.353 196 V HA 0.016 4.137 4.120 0.001 0.000 0.264 196 V C 0.379 176.438 176.094 -0.059 0.000 1.049 196 V CA -0.021 62.219 62.300 -0.100 0.000 0.896 196 V CB 1.103 32.874 31.823 -0.087 0.000 1.025 196 V HN 0.600 nan 8.190 nan 0.000 0.475 197 V N 4.452 124.342 119.914 -0.041 0.000 3.528 197 V HA 0.640 4.761 4.120 0.001 0.000 0.294 197 V C 0.791 176.892 176.094 0.011 0.000 1.404 197 V CA 1.085 63.398 62.300 0.022 0.000 1.065 197 V CB 0.311 32.204 31.823 0.117 0.000 0.904 197 V HN 0.867 nan 8.190 nan 0.000 0.435 198 G N -1.070 107.710 108.800 -0.035 0.000 2.646 198 G HA2 0.516 4.476 3.960 0.001 0.000 0.291 198 G HA3 0.516 4.476 3.960 0.001 0.000 0.291 198 G C -1.243 173.623 174.900 -0.057 0.000 1.445 198 G CA -0.253 44.829 45.100 -0.030 0.000 0.814 198 G HN -0.023 nan 8.290 nan 0.000 0.495 199 T N 0.266 114.799 114.554 -0.035 0.000 2.824 199 T HA 0.703 5.054 4.350 0.001 0.000 0.282 199 T C 0.050 174.741 174.700 -0.016 0.000 0.993 199 T CA -0.317 61.765 62.100 -0.030 0.000 0.967 199 T CB 1.347 70.202 68.868 -0.023 0.000 0.960 199 T HN 1.409 nan 8.240 nan 0.000 0.441 200 V N 0.409 120.319 119.914 -0.006 0.000 3.167 200 V HA 1.029 5.149 4.120 0.001 0.000 0.310 200 V C 0.503 176.602 176.094 0.008 0.000 1.207 200 V CA -1.179 61.123 62.300 0.003 0.000 1.059 200 V CB 1.258 33.088 31.823 0.012 0.000 1.079 200 V HN 0.906 nan 8.190 nan 0.000 0.446 201 G N 0.143 108.949 108.800 0.009 0.000 2.614 201 G HA2 0.270 4.231 3.960 0.001 0.000 0.239 201 G HA3 0.270 4.231 3.960 0.001 0.000 0.239 201 G C 0.373 175.284 174.900 0.018 0.000 1.240 201 G CA -0.054 45.053 45.100 0.011 0.000 0.842 201 G HN 0.989 nan 8.290 nan 0.000 0.584 202 K N 0.256 120.667 120.400 0.017 0.000 2.097 202 K HA -0.091 4.230 4.320 0.001 0.000 0.206 202 K C 2.161 178.774 176.600 0.023 0.000 1.049 202 K CA 1.295 57.594 56.287 0.021 0.000 0.933 202 K CB 0.034 32.544 32.500 0.018 0.000 0.717 202 K HN 0.388 nan 8.250 nan 0.000 0.442 203 K N 0.648 121.060 120.400 0.020 0.000 2.418 203 K HA -0.004 4.317 4.320 0.001 0.000 0.195 203 K C 0.487 177.101 176.600 0.024 0.000 1.035 203 K CA 0.012 56.313 56.287 0.022 0.000 1.003 203 K CB 0.052 32.563 32.500 0.019 0.000 0.793 203 K HN -0.009 nan 8.250 nan 0.000 0.494 204 N N 2.351 121.066 118.700 0.024 0.000 2.555 204 N HA -0.008 4.732 4.740 0.001 0.000 0.244 204 N C -1.062 174.471 175.510 0.038 0.000 1.114 204 N CA 0.217 53.282 53.050 0.026 0.000 0.963 204 N CB 0.313 38.812 38.487 0.020 0.000 1.276 204 N HN 0.097 nan 8.380 nan 0.000 0.510 205 T N -0.205 114.373 114.554 0.040 0.000 2.907 205 T HA 0.937 5.288 4.350 0.001 0.000 0.290 205 T C 0.183 174.914 174.700 0.051 0.000 1.066 205 T CA -0.491 61.638 62.100 0.048 0.000 1.012 205 T CB 1.926 70.814 68.868 0.033 0.000 1.184 205 T HN 0.462 nan 8.240 nan 0.000 0.522 206 G N -0.052 108.784 108.800 0.059 0.000 2.352 206 G HA2 0.454 4.415 3.960 0.001 0.000 0.302 206 G HA3 0.454 4.415 3.960 0.001 0.000 0.302 206 G C -1.218 173.731 174.900 0.082 0.000 1.370 206 G CA -0.538 44.600 45.100 0.063 0.000 0.918 206 G HN 0.933 nan 8.290 nan 0.000 0.610 207 T N 0.464 115.068 114.554 0.083 0.000 2.893 207 T HA 0.786 5.137 4.350 0.001 0.000 0.293 207 T C -0.391 174.377 174.700 0.113 0.000 1.027 207 T CA -0.785 61.376 62.100 0.102 0.000 0.988 207 T CB 1.651 70.566 68.868 0.080 0.000 1.043 207 T HN 0.890 nan 8.240 nan 0.000 0.461 208 R N 2.092 122.685 120.500 0.155 0.000 2.574 208 R HA 0.783 5.124 4.340 0.001 0.000 0.288 208 R C -1.754 174.663 176.300 0.195 0.000 1.004 208 R CA -1.000 55.198 56.100 0.163 0.000 0.895 208 R CB 1.583 31.988 30.300 0.175 0.000 1.191 208 R HN 0.545 nan 8.270 nan 0.000 0.444 209 L N 2.637 123.959 121.223 0.164 0.000 2.406 209 L HA 0.576 4.917 4.340 0.001 0.000 0.272 209 L C -1.115 175.859 176.870 0.175 0.000 0.980 209 L CA -0.847 54.102 54.840 0.182 0.000 0.831 209 L CB 1.991 44.145 42.059 0.158 0.000 1.253 209 L HN 0.773 nan 8.230 nan 0.000 0.406 210 R N 4.707 125.302 120.500 0.159 0.000 2.437 210 R HA 0.618 4.958 4.340 0.001 0.000 0.310 210 R C -1.659 174.652 176.300 0.018 0.000 0.955 210 R CA -0.505 55.560 56.100 -0.058 0.000 0.851 210 R CB 1.262 31.451 30.300 -0.183 0.000 1.161 210 R HN 0.563 nan 8.270 nan 0.000 0.446 211 F N 1.260 121.103 119.950 -0.177 0.000 2.563 211 F HA 0.636 5.163 4.527 0.001 0.000 0.316 211 F C -1.348 174.423 175.800 -0.049 0.000 1.076 211 F CA -1.248 56.779 58.000 0.044 0.000 0.921 211 F CB 1.250 40.305 39.000 0.091 0.000 1.209 211 F HN 0.329 nan 8.300 nan 0.000 0.462 212 W N 3.608 125.057 121.300 0.249 0.000 2.347 212 W HA 0.617 5.277 4.660 0.001 0.000 0.321 212 W C -0.239 176.443 176.519 0.272 0.000 0.971 212 W CA -1.195 56.250 57.345 0.166 0.000 1.508 212 W CB 1.682 31.206 29.460 0.107 0.000 1.299 212 W HN 0.979 nan 8.180 nan 0.000 0.399 213 A N 2.407 125.502 122.820 0.459 0.000 2.540 213 A HA -0.063 4.257 4.320 0.001 0.000 0.239 213 A C 0.279 178.090 177.584 0.378 0.000 1.061 213 A CA 0.423 52.701 52.037 0.400 0.000 0.758 213 A CB 0.215 19.273 19.000 0.096 0.000 0.991 213 A HN 0.479 nan 8.150 nan 0.000 0.502 214 D N 3.739 124.433 120.400 0.490 0.000 2.336 214 D HA 0.182 4.822 4.640 0.001 0.000 0.249 214 D C -1.153 175.391 176.300 0.406 0.000 1.213 214 D CA -1.796 52.435 54.000 0.386 0.000 0.870 214 D CB 1.056 42.088 40.800 0.386 0.000 1.076 214 D HN 0.274 nan 8.370 nan 0.000 0.483 215 P HA -0.218 nan 4.420 nan 0.000 0.218 215 P C 1.041 178.439 177.300 0.164 0.000 1.146 215 P CA 1.126 64.368 63.100 0.237 0.000 0.813 215 P CB 0.043 31.819 31.700 0.128 0.000 0.778 216 K N -1.045 119.350 120.400 -0.008 0.000 2.442 216 K HA -0.135 4.186 4.320 0.001 0.000 0.198 216 K C 1.182 177.643 176.600 -0.231 0.000 1.044 216 K CA 1.108 57.295 56.287 -0.167 0.000 0.948 216 K CB -0.672 31.637 32.500 -0.318 0.000 0.762 216 K HN 0.138 nan 8.250 nan 0.000 0.472 217 Y N -0.124 120.155 120.300 -0.035 0.000 2.497 217 Y HA 0.285 4.836 4.550 0.001 0.000 0.265 217 Y C 0.129 175.681 175.900 -0.581 0.000 1.111 217 Y CA -0.578 57.319 58.100 -0.339 0.000 1.288 217 Y CB 0.370 38.505 38.460 -0.541 0.000 1.082 217 Y HN -0.116 nan 8.280 nan 0.000 0.536 218 F N -0.133 119.901 119.950 0.140 0.000 2.538 218 F HA 0.305 4.832 4.527 0.001 0.000 0.325 218 F C 0.994 176.813 175.800 0.032 0.000 1.066 218 F CA -1.423 56.620 58.000 0.072 0.000 0.946 218 F CB 0.977 40.002 39.000 0.042 0.000 1.199 218 F HN -0.221 nan 8.300 nan 0.000 0.473 219 D N -0.320 120.192 120.400 0.186 0.000 2.149 219 D HA -0.088 4.552 4.640 0.001 0.000 0.198 219 D C 0.796 177.156 176.300 0.101 0.000 0.990 219 D CA 1.526 55.589 54.000 0.104 0.000 0.839 219 D CB 0.097 40.942 40.800 0.075 0.000 0.948 219 D HN 0.420 nan 8.370 nan 0.000 0.460 220 T N -1.101 113.525 114.554 0.120 0.000 2.923 220 T HA 0.283 4.634 4.350 0.001 0.000 0.311 220 T C -2.455 172.243 174.700 -0.004 0.000 1.183 220 T CA -1.572 60.562 62.100 0.055 0.000 1.020 220 T CB 2.470 71.350 68.868 0.020 0.000 1.165 220 T HN -0.271 nan 8.240 nan 0.000 0.482 221 P HA 0.168 nan 4.420 nan 0.000 0.240 221 P C -0.089 177.044 177.300 -0.279 0.000 1.190 221 P CA 0.042 63.047 63.100 -0.159 0.000 0.781 221 P CB 0.295 31.975 31.700 -0.033 0.000 0.931 222 K N 0.363 120.670 120.400 -0.155 0.000 2.326 222 K HA 0.234 4.555 4.320 0.001 0.000 0.275 222 K C -0.031 176.455 176.600 -0.191 0.000 1.018 222 K CA -0.138 56.092 56.287 -0.094 0.000 0.962 222 K CB 0.257 32.755 32.500 -0.003 0.000 0.953 222 K HN -0.045 nan 8.250 nan 0.000 0.475 223 F N 1.289 121.221 119.950 -0.030 0.000 2.379 223 F HA 0.097 4.624 4.527 0.001 0.000 0.332 223 F C 1.171 176.963 175.800 -0.013 0.000 1.096 223 F CA -0.697 57.287 58.000 -0.027 0.000 1.105 223 F CB 0.670 39.646 39.000 -0.039 0.000 1.189 223 F HN 0.442 nan 8.300 nan 0.000 0.515 224 N N 2.237 121.044 118.700 0.178 0.000 2.555 224 N HA 0.080 4.820 4.740 0.001 0.000 0.244 224 N C 0.710 176.280 175.510 0.100 0.000 1.114 224 N CA 0.084 53.195 53.050 0.101 0.000 0.963 224 N CB 0.894 39.423 38.487 0.070 0.000 1.276 224 N HN 0.448 nan 8.380 nan 0.000 0.510 225 V N 4.270 124.231 119.914 0.078 0.000 2.343 225 V HA -0.213 3.908 4.120 0.001 0.000 0.247 225 V C 2.555 178.644 176.094 -0.008 0.000 1.051 225 V CA 1.692 64.014 62.300 0.038 0.000 1.036 225 V CB -0.547 31.289 31.823 0.022 0.000 0.654 225 V HN 0.638 nan 8.190 nan 0.000 0.451 226 R N 0.402 120.878 120.500 -0.041 0.000 2.091 226 R HA -0.177 4.164 4.340 0.001 0.000 0.238 226 R C 2.282 178.434 176.300 -0.248 0.000 1.136 226 R CA 1.751 57.759 56.100 -0.153 0.000 0.959 226 R CB -0.476 29.747 30.300 -0.129 0.000 0.856 226 R HN 0.487 nan 8.270 nan 0.000 0.437 227 A N 0.645 123.410 122.820 -0.092 0.000 1.930 227 A HA -0.134 4.187 4.320 0.001 0.000 0.217 227 A C 1.995 179.579 177.584 -0.000 0.000 1.175 227 A CA 1.045 53.071 52.037 -0.020 0.000 0.627 227 A CB -0.467 18.561 19.000 0.047 0.000 0.815 227 A HN 0.371 nan 8.150 nan 0.000 0.443 228 L N -0.317 120.910 121.223 0.006 0.000 2.109 228 L HA -0.052 4.289 4.340 0.001 0.000 0.207 228 L C 2.462 179.315 176.870 -0.027 0.000 1.086 228 L CA 1.530 56.379 54.840 0.014 0.000 0.760 228 L CB -0.466 41.610 42.059 0.028 0.000 0.910 228 L HN 0.309 nan 8.230 nan 0.000 0.437 229 R N -1.384 119.095 120.500 -0.035 0.000 2.073 229 R HA -0.174 4.167 4.340 0.001 0.000 0.234 229 R C 2.203 178.367 176.300 -0.227 0.000 1.134 229 R CA 1.910 57.996 56.100 -0.023 0.000 0.952 229 R CB -0.690 29.672 30.300 0.102 0.000 0.850 229 R HN 0.580 nan 8.270 nan 0.000 0.433 230 H N 0.135 119.124 119.070 -0.135 0.000 2.353 230 H HA -0.127 4.429 4.556 0.001 0.000 0.300 230 H C 2.261 177.459 175.328 -0.216 0.000 1.090 230 H CA 1.217 57.168 56.048 -0.162 0.000 1.327 230 H CB 0.049 29.781 29.762 -0.049 0.000 1.383 230 H HN 0.118 nan 8.280 nan 0.000 0.508 231 L N 0.568 121.782 121.223 -0.015 0.000 2.056 231 L HA -0.142 4.198 4.340 0.001 0.000 0.207 231 L C 1.922 178.703 176.870 -0.148 0.000 1.078 231 L CA 1.050 55.867 54.840 -0.039 0.000 0.749 231 L CB -0.116 41.954 42.059 0.019 0.000 0.901 231 L HN 0.224 nan 8.230 nan 0.000 0.433 232 L N -0.515 120.562 121.223 -0.243 0.000 2.093 232 L HA -0.173 4.168 4.340 0.001 0.000 0.208 232 L C 2.804 179.378 176.870 -0.493 0.000 1.085 232 L CA 1.230 55.905 54.840 -0.275 0.000 0.755 232 L CB -0.536 41.427 42.059 -0.161 0.000 0.904 232 L HN 0.303 nan 8.230 nan 0.000 0.435 233 R N 0.506 120.423 120.500 -0.970 0.000 2.081 233 R HA -0.176 4.165 4.340 0.001 0.000 0.235 233 R C 2.340 178.369 176.300 -0.451 0.000 1.131 233 R CA 1.382 56.876 56.100 -1.010 0.000 0.960 233 R CB -0.220 29.377 30.300 -1.171 0.000 0.856 233 R HN 0.324 nan 8.270 nan 0.000 0.436 234 A N 1.565 124.149 122.820 -0.392 0.000 1.908 234 A HA -0.184 4.137 4.320 0.001 0.000 0.218 234 A C 1.864 179.261 177.584 -0.312 0.000 1.181 234 A CA 1.567 53.381 52.037 -0.372 0.000 0.627 234 A CB -0.331 18.534 19.000 -0.224 0.000 0.818 234 A HN 0.216 nan 8.150 nan 0.000 0.445 235 K N 0.114 120.396 120.400 -0.197 0.000 2.063 235 K HA -0.084 4.237 4.320 0.001 0.000 0.208 235 K C 2.166 178.729 176.600 -0.062 0.000 1.048 235 K CA 1.487 57.706 56.287 -0.114 0.000 0.928 235 K CB -1.037 31.434 32.500 -0.048 0.000 0.713 235 K HN 0.484 nan 8.250 nan 0.000 0.442 236 A N 0.999 123.821 122.820 0.003 0.000 1.930 236 A HA -0.073 4.248 4.320 0.001 0.000 0.217 236 A C 2.540 180.226 177.584 0.170 0.000 1.175 236 A CA 1.268 53.388 52.037 0.138 0.000 0.627 236 A CB -0.524 18.639 19.000 0.271 0.000 0.815 236 A HN 0.054 nan 8.150 nan 0.000 0.443 237 V N -0.135 119.768 119.914 -0.019 0.000 2.307 237 V HA -0.181 3.940 4.120 0.001 0.000 0.245 237 V C 2.278 178.227 176.094 -0.241 0.000 1.045 237 V CA 1.580 63.702 62.300 -0.297 0.000 1.024 237 V CB -0.616 30.754 31.823 -0.755 0.000 0.651 237 V HN 0.463 nan 8.190 nan 0.000 0.449 238 L N -0.860 120.196 121.223 -0.277 0.000 2.478 238 L HA 0.073 4.414 4.340 0.001 0.000 0.223 238 L C 1.097 177.892 176.870 -0.124 0.000 1.140 238 L CA 0.952 55.648 54.840 -0.240 0.000 0.842 238 L CB -0.990 40.871 42.059 -0.331 0.000 0.953 238 L HN 0.475 nan 8.230 nan 0.000 0.452 239 C N 1.653 120.906 119.300 -0.078 0.000 2.647 239 C HA 0.469 4.930 4.460 0.001 0.000 0.273 239 C C -2.303 172.679 174.990 -0.013 0.000 1.088 239 C CA -1.952 57.045 59.018 -0.036 0.000 1.529 239 C CB 0.033 27.764 27.740 -0.016 0.000 1.810 239 C HN 0.072 nan 8.230 nan 0.000 0.422 240 P HA 0.234 nan 4.420 nan 0.000 0.260 240 P C 0.956 178.244 177.300 -0.020 0.000 1.172 240 P CA 2.152 65.230 63.100 -0.036 0.000 0.760 240 P CB 0.332 32.007 31.700 -0.042 0.000 0.773 241 G N 1.838 110.600 108.800 -0.062 0.000 2.217 241 G HA2 -0.250 3.711 3.960 0.001 0.000 0.246 241 G HA3 -0.250 3.711 3.960 0.001 0.000 0.246 241 G C -0.186 174.854 174.900 0.233 0.000 0.990 241 G CA -0.110 45.055 45.100 0.108 0.000 0.627 241 G HN 0.617 nan 8.290 nan 0.000 0.522 242 L N 2.581 123.888 121.223 0.141 0.000 2.331 242 L HA 0.741 5.081 4.340 0.001 0.000 0.278 242 L C 0.201 177.211 176.870 0.233 0.000 1.106 242 L CA 0.121 55.053 54.840 0.154 0.000 0.824 242 L CB 1.237 43.351 42.059 0.092 0.000 1.142 242 L HN 0.074 nan 8.230 nan 0.000 0.443 243 T N 5.071 119.746 114.554 0.202 0.000 2.749 243 T HA 0.559 4.910 4.350 0.001 0.000 0.287 243 T C -0.562 174.222 174.700 0.141 0.000 0.970 243 T CA -0.339 61.870 62.100 0.181 0.000 0.980 243 T CB 1.003 69.904 68.868 0.054 0.000 0.924 243 T HN 0.408 nan 8.240 nan 0.000 0.456 244 V N 4.888 124.921 119.914 0.198 0.000 2.448 244 V HA 0.512 4.632 4.120 0.001 0.000 0.295 244 V C -0.076 176.170 176.094 0.254 0.000 1.025 244 V CA -0.872 61.571 62.300 0.238 0.000 0.859 244 V CB 1.728 33.733 31.823 0.302 0.000 0.988 244 V HN 0.739 nan 8.190 nan 0.000 0.431 245 K N 3.798 124.285 120.400 0.145 0.000 2.328 245 K HA 0.817 5.137 4.320 0.001 0.000 0.246 245 K C -1.538 175.107 176.600 0.076 0.000 0.955 245 K CA -0.919 55.384 56.287 0.027 0.000 0.817 245 K CB 2.639 35.120 32.500 -0.032 0.000 1.208 245 K HN 0.424 nan 8.250 nan 0.000 0.432 246 L N 1.312 122.532 121.223 -0.005 0.000 2.436 246 L HA 0.415 4.756 4.340 0.001 0.000 0.268 246 L C -1.661 175.185 176.870 -0.039 0.000 0.974 246 L CA -0.246 54.612 54.840 0.030 0.000 0.826 246 L CB 1.775 43.924 42.059 0.150 0.000 1.291 246 L HN 0.766 nan 8.230 nan 0.000 0.406 247 H N 2.774 121.751 119.070 -0.155 0.000 2.906 247 H HA 0.413 4.970 4.556 0.001 0.000 0.324 247 H C -1.515 173.677 175.328 -0.227 0.000 0.973 247 H CA -0.638 55.298 56.048 -0.186 0.000 1.321 247 H CB 1.195 30.834 29.762 -0.204 0.000 1.535 247 H HN 0.659 nan 8.280 nan 0.000 0.518 248 D N 3.918 124.290 120.400 -0.047 0.000 2.412 248 D HA 0.009 4.649 4.640 0.001 0.000 0.224 248 D C 0.996 177.310 176.300 0.024 0.000 1.093 248 D CA -0.137 53.834 54.000 -0.048 0.000 0.850 248 D CB 1.130 41.889 40.800 -0.069 0.000 1.046 248 D HN 0.822 nan 8.370 nan 0.000 0.507 249 E N 2.956 123.171 120.200 0.025 0.000 2.153 249 E HA -0.201 4.149 4.350 0.001 0.000 0.194 249 E C 1.582 178.201 176.600 0.031 0.000 0.988 249 E CA 0.921 57.350 56.400 0.047 0.000 0.811 249 E CB 0.232 29.910 29.700 -0.038 0.000 0.746 249 E HN 0.563 nan 8.360 nan 0.000 0.466 250 A N 0.434 123.262 122.820 0.012 0.000 1.883 250 A HA -0.207 4.114 4.320 0.001 0.000 0.217 250 A C 2.393 179.982 177.584 0.009 0.000 1.186 250 A CA 2.455 54.504 52.037 0.020 0.000 0.624 250 A CB -0.878 18.136 19.000 0.022 0.000 0.822 250 A HN 0.494 nan 8.150 nan 0.000 0.444 251 T N -5.585 108.964 114.554 -0.009 0.000 3.015 251 T HA 0.425 4.776 4.350 0.001 0.000 0.250 251 T C 1.515 176.189 174.700 -0.044 0.000 1.057 251 T CA 1.094 63.180 62.100 -0.023 0.000 1.066 251 T CB 0.341 69.190 68.868 -0.032 0.000 0.959 251 T HN 1.750 nan 8.240 nan 0.000 0.488 252 G N 1.426 110.189 108.800 -0.062 0.000 2.176 252 G HA2 -0.232 3.728 3.960 0.001 0.000 0.253 252 G HA3 -0.232 3.728 3.960 0.001 0.000 0.253 252 G C -0.195 174.567 174.900 -0.229 0.000 0.979 252 G CA 0.035 45.069 45.100 -0.111 0.000 0.641 252 G HN 0.654 nan 8.290 nan 0.000 0.530 253 E N 0.818 120.904 120.200 -0.191 0.000 2.360 253 E HA 0.419 4.770 4.350 0.001 0.000 0.269 253 E C 0.386 176.804 176.600 -0.304 0.000 1.022 253 E CA 0.336 56.614 56.400 -0.202 0.000 0.887 253 E CB 0.421 30.047 29.700 -0.122 0.000 0.990 253 E HN 0.559 nan 8.360 nan 0.000 0.426 254 Q N 2.123 121.743 119.800 -0.299 0.000 2.377 254 Q HA 0.398 4.738 4.340 0.001 0.000 0.271 254 Q C -1.065 174.753 176.000 -0.304 0.000 1.077 254 Q CA -0.786 54.819 55.803 -0.329 0.000 0.820 254 Q CB 2.236 30.768 28.738 -0.343 0.000 1.347 254 Q HN 0.415 nan 8.270 nan 0.000 0.444 255 D N 0.652 120.824 120.400 -0.379 0.000 2.671 255 D HA 0.437 5.078 4.640 0.001 0.000 0.232 255 D C -1.259 174.563 176.300 -0.796 0.000 1.114 255 D CA -0.277 53.322 54.000 -0.668 0.000 0.858 255 D CB 2.446 42.701 40.800 -0.908 0.000 1.544 255 D HN 0.311 nan 8.370 nan 0.000 0.471 256 S N 1.264 116.401 115.700 -0.939 0.000 2.619 256 S HA 0.537 5.008 4.470 0.001 0.000 0.280 256 S C -1.720 172.477 174.600 -0.671 0.000 1.150 256 S CA -0.754 57.074 58.200 -0.621 0.000 0.978 256 S CB 0.799 63.800 63.200 -0.331 0.000 1.041 256 S HN 0.319 nan 8.310 nan 0.000 0.485 257 W N 4.199 125.467 121.300 -0.054 0.000 2.736 257 W HA 0.559 5.220 4.660 0.001 0.000 0.335 257 W C -0.941 175.474 176.519 -0.173 0.000 1.059 257 W CA -0.775 56.484 57.345 -0.144 0.000 1.226 257 W CB 1.645 31.095 29.460 -0.017 0.000 1.416 257 W HN 0.740 nan 8.180 nan 0.000 0.505 258 Y N 2.522 122.533 120.300 -0.481 0.000 2.424 258 Y HA 0.474 5.025 4.550 0.001 0.000 0.323 258 Y C -2.237 173.186 175.900 -0.795 0.000 1.174 258 Y CA -1.661 56.191 58.100 -0.413 0.000 1.060 258 Y CB 0.938 39.265 38.460 -0.222 0.000 1.314 258 Y HN 0.230 nan 8.280 nan 0.000 0.439 259 F N 5.701 125.286 119.950 -0.608 0.000 2.902 259 F HA 0.332 4.859 4.527 0.001 0.000 0.368 259 F C 0.933 176.351 175.800 -0.638 0.000 1.202 259 F CA -0.792 56.931 58.000 -0.462 0.000 1.109 259 F CB 1.677 40.581 39.000 -0.161 0.000 1.418 259 F HN 0.713 nan 8.300 nan 0.000 0.527 260 E N 1.608 121.444 120.200 -0.606 0.000 2.086 260 E HA -0.267 4.083 4.350 0.001 0.000 0.200 260 E C 0.980 177.511 176.600 -0.115 0.000 1.012 260 E CA 2.147 58.351 56.400 -0.326 0.000 0.812 260 E CB 0.213 29.872 29.700 -0.068 0.000 0.743 260 E HN 0.646 nan 8.360 nan 0.000 0.453 261 N N -1.006 117.664 118.700 -0.050 0.000 2.415 261 N HA 0.087 4.828 4.740 0.001 0.000 0.176 261 N C 0.730 176.216 175.510 -0.039 0.000 1.042 261 N CA 0.799 53.830 53.050 -0.032 0.000 0.902 261 N CB 0.865 39.341 38.487 -0.018 0.000 0.986 261 N HN 0.353 nan 8.380 nan 0.000 0.447 262 G N 0.519 109.314 108.800 -0.007 0.000 2.742 262 G HA2 -0.327 3.634 3.960 0.001 0.000 0.255 262 G HA3 -0.327 3.634 3.960 0.001 0.000 0.255 262 G C 0.647 175.491 174.900 -0.092 0.000 1.322 262 G CA 0.106 45.186 45.100 -0.034 0.000 0.967 262 G HN 0.085 nan 8.290 nan 0.000 0.556 263 L N 1.288 122.451 121.223 -0.101 0.000 2.013 263 L HA 0.004 4.345 4.340 0.001 0.000 0.212 263 L C 3.065 179.902 176.870 -0.056 0.000 1.073 263 L CA 2.911 57.707 54.840 -0.073 0.000 0.753 263 L CB -0.713 41.311 42.059 -0.058 0.000 0.890 263 L HN 0.605 nan 8.230 nan 0.000 0.432 264 R N -0.406 120.051 120.500 -0.071 0.000 2.073 264 R HA -0.169 4.171 4.340 0.001 0.000 0.234 264 R C 1.950 178.228 176.300 -0.036 0.000 1.134 264 R CA 1.811 57.874 56.100 -0.062 0.000 0.952 264 R CB -0.328 29.932 30.300 -0.066 0.000 0.850 264 R HN 0.406 nan 8.270 nan 0.000 0.433 265 D N -0.500 119.905 120.400 0.007 0.000 2.117 265 D HA -0.208 4.433 4.640 0.001 0.000 0.197 265 D C 1.646 177.985 176.300 0.064 0.000 0.987 265 D CA 1.175 55.230 54.000 0.090 0.000 0.829 265 D CB -0.441 40.491 40.800 0.221 0.000 0.961 265 D HN 0.291 nan 8.370 nan 0.000 0.460 266 Y N 1.385 121.492 120.300 -0.321 0.000 2.114 266 Y HA -0.176 4.375 4.550 0.001 0.000 0.284 266 Y C 2.140 177.883 175.900 -0.262 0.000 1.143 266 Y CA 1.022 58.754 58.100 -0.614 0.000 1.135 266 Y CB -0.597 37.216 38.460 -1.079 0.000 0.980 266 Y HN -0.081 nan 8.280 nan 0.000 0.499 267 L N 1.414 122.390 121.223 -0.412 0.000 2.046 267 L HA -0.145 4.196 4.340 0.001 0.000 0.208 267 L C 2.516 179.220 176.870 -0.277 0.000 1.077 267 L CA 2.200 56.780 54.840 -0.434 0.000 0.747 267 L CB -1.121 40.811 42.059 -0.212 0.000 0.896 267 L HN 0.345 nan 8.230 nan 0.000 0.432 268 K N -0.848 119.461 120.400 -0.150 0.000 2.032 268 K HA -0.167 4.153 4.320 0.001 0.000 0.209 268 K C 1.955 178.516 176.600 -0.066 0.000 1.048 268 K CA 1.627 57.871 56.287 -0.072 0.000 0.927 268 K CB -0.662 31.827 32.500 -0.018 0.000 0.712 268 K HN 0.476 nan 8.250 nan 0.000 0.441 269 G N 0.935 109.700 108.800 -0.058 0.000 2.408 269 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 269 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 269 G C 1.221 176.081 174.900 -0.066 0.000 1.150 269 G CA 0.407 45.502 45.100 -0.009 0.000 0.776 269 G HN 0.329 nan 8.290 nan 0.000 0.542 270 E N -0.046 120.029 120.200 -0.208 0.000 2.347 270 E HA 0.055 4.405 4.350 0.001 0.000 0.196 270 E C 1.893 178.428 176.600 -0.109 0.000 1.008 270 E CA 0.518 56.790 56.400 -0.213 0.000 0.852 270 E CB 0.031 29.451 29.700 -0.467 0.000 0.783 270 E HN 0.378 nan 8.360 nan 0.000 0.505 271 M N -0.987 118.562 119.600 -0.085 0.000 2.347 271 M HA 0.269 4.749 4.480 0.001 0.000 0.302 271 M C 1.555 177.872 176.300 0.028 0.000 1.051 271 M CA -0.174 55.141 55.300 0.024 0.000 0.988 271 M CB 0.238 32.827 32.600 -0.017 0.000 1.475 271 M HN -0.069 nan 8.290 nan 0.000 0.530 272 A N 0.820 123.627 122.820 -0.020 0.000 2.084 272 A HA -0.192 4.129 4.320 0.001 0.000 0.221 272 A C 2.030 179.571 177.584 -0.073 0.000 1.161 272 A CA 1.898 53.919 52.037 -0.028 0.000 0.653 272 A CB -0.592 18.396 19.000 -0.020 0.000 0.802 272 A HN 0.612 nan 8.150 nan 0.000 0.457 273 E N -0.966 119.134 120.200 -0.166 0.000 2.435 273 E HA -0.042 4.309 4.350 0.001 0.000 0.195 273 E C -0.315 176.001 176.600 -0.472 0.000 1.029 273 E CA 0.040 56.233 56.400 -0.345 0.000 0.865 273 E CB 0.065 29.474 29.700 -0.485 0.000 0.833 273 E HN 0.851 nan 8.360 nan 0.000 0.510 274 H N -0.265 118.795 119.070 -0.017 0.000 2.621 274 H HA 0.295 4.851 4.556 0.002 0.000 0.360 274 H C -0.638 174.689 175.328 -0.001 0.000 1.163 274 H CA -0.974 55.067 56.048 -0.011 0.000 1.194 274 H CB 1.181 30.930 29.762 -0.022 0.000 1.649 274 H HN -0.086 nan 8.280 nan 0.000 0.532 275 E N 2.597 122.879 120.200 0.137 0.000 2.331 275 E HA 0.279 4.629 4.350 0.001 0.000 0.272 275 E C -0.175 176.483 176.600 0.096 0.000 1.036 275 E CA -0.291 56.163 56.400 0.091 0.000 0.864 275 E CB 1.308 31.052 29.700 0.072 0.000 1.035 275 E HN 0.621 nan 8.360 nan 0.000 0.408 276 M N 0.203 119.857 119.600 0.091 0.000 2.683 276 M HA 0.524 5.004 4.480 0.001 0.000 0.274 276 M C -1.540 174.839 176.300 0.132 0.000 1.272 276 M CA -1.147 54.217 55.300 0.106 0.000 0.833 276 M CB 1.647 34.294 32.600 0.079 0.000 1.708 276 M HN 0.012 nan 8.290 nan 0.000 0.463 277 L N 1.390 122.729 121.223 0.193 0.000 2.376 277 L HA 0.665 5.006 4.340 0.001 0.000 0.275 277 L C -2.612 174.459 176.870 0.334 0.000 0.987 277 L CA -1.440 53.529 54.840 0.216 0.000 0.828 277 L CB 1.477 43.637 42.059 0.168 0.000 1.249 277 L HN 0.487 nan 8.230 nan 0.000 0.409 278 P HA 0.193 nan 4.420 nan 0.000 0.274 278 P C 0.514 177.911 177.300 0.163 0.000 1.237 278 P CA -0.163 63.071 63.100 0.223 0.000 0.793 278 P CB 1.023 32.871 31.700 0.248 0.000 0.977 279 A N 2.410 125.312 122.820 0.136 0.000 1.917 279 A HA -0.199 4.122 4.320 0.001 0.000 0.219 279 A C 1.228 178.862 177.584 0.084 0.000 1.182 279 A CA 2.252 54.349 52.037 0.099 0.000 0.633 279 A CB -1.256 17.795 19.000 0.085 0.000 0.819 279 A HN 0.665 nan 8.150 nan 0.000 0.448 280 D N -1.210 119.247 120.400 0.095 0.000 2.427 280 D HA 0.411 5.051 4.640 0.001 0.000 0.224 280 D C 0.322 176.660 176.300 0.064 0.000 1.157 280 D CA -0.276 53.766 54.000 0.071 0.000 0.828 280 D CB -0.739 40.105 40.800 0.074 0.000 0.974 280 D HN 0.401 nan 8.370 nan 0.000 0.498 281 L N -1.566 119.707 121.223 0.084 0.000 0.594 281 L HA -0.210 4.131 4.340 0.001 0.000 0.356 281 L C -0.816 176.120 176.870 0.110 0.000 0.969 281 L CA -0.220 54.669 54.840 0.082 0.000 1.223 281 L CB -0.630 41.438 42.059 0.014 0.000 0.040 281 L HN 0.174 nan 8.230 nan 0.000 0.092 282 F N 2.420 122.343 119.950 -0.046 0.000 2.427 282 F HA 0.777 5.305 4.527 0.001 0.000 0.348 282 F C -0.453 175.333 175.800 -0.023 0.000 1.125 282 F CA -0.633 57.287 58.000 -0.133 0.000 0.989 282 F CB 1.302 40.229 39.000 -0.122 0.000 1.165 282 F HN 0.112 nan 8.300 nan 0.000 0.442 283 V N 4.819 124.333 119.914 -0.666 0.000 2.919 283 V HA 0.993 5.114 4.120 0.001 0.000 0.316 283 V C 0.117 175.490 176.094 -1.203 0.000 1.077 283 V CA -0.356 61.437 62.300 -0.844 0.000 0.977 283 V CB 1.547 33.096 31.823 -0.457 0.000 1.039 283 V HN 1.094 nan 8.190 nan 0.000 0.441 284 G N 1.140 108.922 108.800 -1.697 0.000 2.576 284 G HA2 0.735 4.695 3.960 0.001 0.000 0.290 284 G HA3 0.735 4.695 3.960 0.001 0.000 0.290 284 G C -1.152 172.769 174.900 -1.632 0.000 1.442 284 G CA 0.080 44.175 45.100 -1.675 0.000 0.792 284 G HN 1.278 nan 8.290 nan 0.000 0.491 285 S N -1.289 113.884 115.700 -0.878 0.000 2.565 285 S HA 0.768 5.239 4.470 0.001 0.000 0.274 285 S C -1.904 172.620 174.600 -0.127 0.000 1.144 285 S CA -0.767 57.178 58.200 -0.425 0.000 0.849 285 S CB 1.914 64.943 63.200 -0.286 0.000 1.103 285 S HN 1.868 nan 8.310 nan 0.000 0.455 286 L N 0.996 122.236 121.223 0.028 0.000 2.513 286 L HA 0.738 5.078 4.340 0.001 0.000 0.261 286 L C -1.344 175.682 176.870 0.260 0.000 0.945 286 L CA -0.292 54.620 54.840 0.120 0.000 0.848 286 L CB 2.088 44.199 42.059 0.088 0.000 1.334 286 L HN 1.012 nan 8.230 nan 0.000 0.407 287 K N 3.817 124.345 120.400 0.212 0.000 2.323 287 K HA 0.480 4.800 4.320 0.001 0.000 0.259 287 K C -0.870 175.836 176.600 0.176 0.000 0.947 287 K CA -0.587 55.815 56.287 0.192 0.000 0.819 287 K CB 1.316 33.872 32.500 0.094 0.000 1.109 287 K HN 0.633 nan 8.250 nan 0.000 0.429 288 K N 4.619 125.088 120.400 0.116 0.000 3.163 288 K HA 0.015 4.336 4.320 0.001 0.000 0.186 288 K C -0.263 176.310 176.600 -0.045 0.000 1.111 288 K CA 0.178 56.492 56.287 0.044 0.000 0.918 288 K CB 0.127 32.644 32.500 0.028 0.000 1.059 288 K HN 0.932 nan 8.250 nan 0.000 0.558 289 D N -0.433 119.959 120.400 -0.014 0.000 2.889 289 D HA -0.292 4.349 4.640 0.001 0.000 0.201 289 D C -0.016 176.253 176.300 -0.051 0.000 1.093 289 D CA 2.549 56.533 54.000 -0.026 0.000 1.006 289 D CB -0.542 40.243 40.800 -0.024 0.000 1.104 289 D HN 0.467 nan 8.370 nan 0.000 0.397 290 T N -0.898 113.598 114.554 -0.096 0.000 3.417 290 T HA 0.102 4.453 4.350 0.001 0.000 0.279 290 T C -0.038 174.568 174.700 -0.157 0.000 0.918 290 T CA 0.121 62.157 62.100 -0.106 0.000 1.005 290 T CB 0.781 69.584 68.868 -0.108 0.000 1.212 290 T HN 0.177 nan 8.240 nan 0.000 0.510 291 E N 1.343 121.365 120.200 -0.296 0.000 2.227 291 E HA 0.600 4.950 4.350 0.001 0.000 0.282 291 E C -1.080 175.385 176.600 -0.225 0.000 1.015 291 E CA -0.169 55.940 56.400 -0.485 0.000 0.823 291 E CB 1.589 30.509 29.700 -1.300 0.000 1.081 291 E HN 0.359 nan 8.360 nan 0.000 0.396 292 I N 2.842 123.440 120.570 0.046 0.000 2.534 292 I HA 0.337 4.507 4.170 0.001 0.000 0.288 292 I C -1.020 175.307 176.117 0.351 0.000 1.077 292 I CA -1.004 60.434 61.300 0.230 0.000 1.051 292 I CB 1.998 40.062 38.000 0.107 0.000 1.234 292 I HN 0.260 nan 8.210 nan 0.000 0.425 293 V N 5.070 125.227 119.914 0.406 0.000 2.823 293 V HA 0.647 4.768 4.120 0.001 0.000 0.312 293 V C -1.741 174.466 176.094 0.187 0.000 1.072 293 V CA -0.053 62.442 62.300 0.326 0.000 0.937 293 V CB 2.527 34.536 31.823 0.310 0.000 1.013 293 V HN 0.829 nan 8.190 nan 0.000 0.430 294 D N 4.188 124.694 120.400 0.178 0.000 2.857 294 D HA 0.701 5.342 4.640 0.001 0.000 0.227 294 D C -1.450 174.934 176.300 0.139 0.000 1.192 294 D CA -0.155 53.844 54.000 -0.001 0.000 0.857 294 D CB 1.765 42.542 40.800 -0.037 0.000 1.645 294 D HN 0.696 nan 8.370 nan 0.000 0.482 295 W N 2.685 123.940 121.300 -0.075 0.000 3.074 295 W HA 0.855 5.516 4.660 0.001 0.000 0.332 295 W C -2.182 174.249 176.519 -0.147 0.000 1.253 295 W CA -1.165 56.136 57.345 -0.074 0.000 1.180 295 W CB 0.655 30.063 29.460 -0.086 0.000 1.445 295 W HN 0.559 nan 8.180 nan 0.000 0.573 296 A N 1.673 124.602 122.820 0.183 0.000 2.459 296 A HA 0.965 5.286 4.320 0.001 0.000 0.296 296 A C -1.346 176.320 177.584 0.136 0.000 1.039 296 A CA -0.254 51.807 52.037 0.041 0.000 0.698 296 A CB 1.005 19.983 19.000 -0.037 0.000 1.261 296 A HN 2.035 nan 8.150 nan 0.000 0.405 297 A N 0.858 123.728 122.820 0.084 0.000 2.587 297 A HA 0.997 5.318 4.320 0.001 0.000 0.293 297 A C -0.206 177.316 177.584 -0.103 0.000 1.087 297 A CA -0.098 51.900 52.037 -0.065 0.000 0.692 297 A CB 1.612 20.502 19.000 -0.182 0.000 1.291 297 A HN 2.409 nan 8.150 nan 0.000 0.407 298 G N -0.427 108.192 108.800 -0.301 0.000 2.677 298 G HA2 0.571 4.532 3.960 0.001 0.000 0.291 298 G HA3 0.571 4.532 3.960 0.001 0.000 0.291 298 G C -1.626 173.088 174.900 -0.309 0.000 1.435 298 G CA -0.463 44.575 45.100 -0.103 0.000 0.826 298 G HN 0.597 nan 8.290 nan 0.000 0.491 299 W N 1.347 122.612 121.300 -0.058 0.000 2.376 299 W HA 0.512 5.172 4.660 0.001 0.000 0.312 299 W C -0.794 175.692 176.519 -0.055 0.000 1.060 299 W CA -0.587 56.715 57.345 -0.072 0.000 1.221 299 W CB 2.145 31.583 29.460 -0.036 0.000 1.281 299 W HN 0.222 nan 8.180 nan 0.000 0.456 300 V N 5.777 125.712 119.914 0.035 0.000 2.326 300 V HA 0.120 4.241 4.120 0.001 0.000 0.281 300 V C -1.643 174.453 176.094 0.004 0.000 1.015 300 V CA -1.554 60.745 62.300 -0.002 0.000 0.823 300 V CB 1.566 33.320 31.823 -0.115 0.000 1.009 300 V HN 0.296 nan 8.190 nan 0.000 0.436 301 P HA -0.080 nan 4.420 nan 0.000 0.215 301 P C 0.173 177.476 177.300 0.005 0.000 1.157 301 P CA 1.272 64.395 63.100 0.038 0.000 0.868 301 P CB 0.389 32.120 31.700 0.051 0.000 0.788 302 E N -1.101 119.096 120.200 -0.004 0.000 2.256 302 E HA 0.580 4.931 4.350 0.001 0.000 0.268 302 E C -0.385 176.151 176.600 -0.106 0.000 0.877 302 E CA -0.774 55.614 56.400 -0.020 0.000 0.757 302 E CB 2.125 31.846 29.700 0.035 0.000 1.183 302 E HN 0.071 nan 8.360 nan 0.000 0.418 303 G N 1.895 110.583 108.800 -0.187 0.000 2.362 303 G HA2 -0.102 3.859 3.960 0.001 0.000 0.656 303 G HA3 -0.102 3.859 3.960 0.001 0.000 0.656 303 G C -1.208 173.449 174.900 -0.405 0.000 1.376 303 G CA -1.064 43.751 45.100 -0.475 0.000 0.971 303 G HN 0.567 nan 8.290 nan 0.000 0.636 304 E N -0.210 119.780 120.200 -0.349 0.000 2.344 304 E HA 0.432 4.782 4.350 0.001 0.000 0.270 304 E C 0.291 176.740 176.600 -0.251 0.000 1.021 304 E CA -0.446 55.832 56.400 -0.204 0.000 0.887 304 E CB 0.368 30.013 29.700 -0.092 0.000 0.997 304 E HN 0.460 nan 8.360 nan 0.000 0.429 305 L N 4.123 125.220 121.223 -0.210 0.000 2.334 305 L HA 0.338 4.678 4.340 0.001 0.000 0.277 305 L C -0.380 176.354 176.870 -0.227 0.000 1.075 305 L CA -1.063 53.635 54.840 -0.236 0.000 0.804 305 L CB 1.495 43.407 42.059 -0.245 0.000 1.174 305 L HN 0.357 nan 8.230 nan 0.000 0.438 306 V N 2.966 122.720 119.914 -0.267 0.000 2.407 306 V HA 0.268 4.388 4.120 0.001 0.000 0.278 306 V C -0.121 175.698 176.094 -0.458 0.000 1.037 306 V CA -0.353 61.775 62.300 -0.287 0.000 0.900 306 V CB 1.256 32.912 31.823 -0.278 0.000 0.983 306 V HN 0.764 nan 8.190 nan 0.000 0.459 307 Q N 4.669 124.179 119.800 -0.484 0.000 2.414 307 Q HA 0.482 4.822 4.340 0.001 0.000 0.256 307 Q C -1.178 174.491 176.000 -0.551 0.000 0.974 307 Q CA -0.318 54.938 55.803 -0.911 0.000 0.723 307 Q CB 2.298 30.710 28.738 -0.543 0.000 1.281 307 Q HN 0.752 nan 8.270 nan 0.000 0.470 308 E N 1.317 121.138 120.200 -0.632 0.000 2.256 308 E HA 0.486 4.837 4.350 0.001 0.000 0.268 308 E C -1.037 175.523 176.600 -0.067 0.000 0.877 308 E CA -0.582 55.682 56.400 -0.227 0.000 0.757 308 E CB 2.062 31.716 29.700 -0.077 0.000 1.183 308 E HN 0.538 nan 8.360 nan 0.000 0.418 309 S N 1.696 117.366 115.700 -0.050 0.000 2.568 309 S HA 0.721 5.192 4.470 0.001 0.000 0.293 309 S C -1.132 173.400 174.600 -0.114 0.000 1.089 309 S CA -0.755 57.517 58.200 0.120 0.000 0.945 309 S CB 0.965 64.284 63.200 0.197 0.000 1.077 309 S HN 0.438 nan 8.310 nan 0.000 0.485 310 Y N -0.593 119.881 120.300 0.289 0.000 2.562 310 Y HA 0.659 5.210 4.550 0.001 0.000 0.345 310 Y C -0.861 175.185 175.900 0.243 0.000 1.045 310 Y CA -1.134 57.100 58.100 0.225 0.000 1.028 310 Y CB 2.331 40.859 38.460 0.115 0.000 1.297 310 Y HN 0.614 nan 8.280 nan 0.000 0.463 311 V N 2.375 122.485 119.914 0.326 0.000 2.447 311 V HA 0.292 4.413 4.120 0.001 0.000 0.292 311 V C -0.698 175.499 176.094 0.172 0.000 1.021 311 V CA -1.414 61.002 62.300 0.193 0.000 0.850 311 V CB 1.255 33.133 31.823 0.091 0.000 1.005 311 V HN 0.907 nan 8.190 nan 0.000 0.426 312 N N 4.981 123.757 118.700 0.126 0.000 2.727 312 N HA -0.189 4.552 4.740 0.001 0.000 0.249 312 N C 0.690 176.247 175.510 0.078 0.000 1.048 312 N CA 0.845 53.946 53.050 0.084 0.000 0.714 312 N CB -0.690 37.840 38.487 0.072 0.000 0.959 312 N HN 0.808 nan 8.380 nan 0.000 0.544 313 L N -3.905 117.375 121.223 0.095 0.000 5.081 313 L HA -0.284 4.056 4.340 0.001 0.000 0.423 313 L C 0.278 177.249 176.870 0.169 0.000 1.019 313 L CA 1.173 56.047 54.840 0.057 0.000 1.223 313 L CB -1.700 40.363 42.059 0.006 0.000 1.940 313 L HN 0.375 nan 8.230 nan 0.000 0.675 314 I N 3.101 123.763 120.570 0.154 0.000 2.371 314 I HA 0.195 4.366 4.170 0.001 0.000 0.290 314 I C -1.501 174.729 176.117 0.189 0.000 1.028 314 I CA -1.446 59.884 61.300 0.050 0.000 1.345 314 I CB 1.296 39.173 38.000 -0.205 0.000 1.407 314 I HN -0.123 nan 8.210 nan 0.000 0.501 315 P HA 0.083 nan 4.420 nan 0.000 0.276 315 P C -0.485 176.745 177.300 -0.117 0.000 1.235 315 P CA -0.264 62.740 63.100 -0.159 0.000 0.772 315 P CB 0.685 32.314 31.700 -0.118 0.000 0.871 316 T N -0.150 114.340 114.554 -0.108 0.000 3.262 316 T HA 0.451 4.801 4.350 0.001 0.000 0.374 316 T C 1.404 176.040 174.700 -0.108 0.000 1.504 316 T CA -0.552 61.560 62.100 0.019 0.000 1.158 316 T CB 0.403 69.426 68.868 0.259 0.000 1.157 316 T HN 0.354 nan 8.240 nan 0.000 0.644 317 A N 2.098 124.823 122.820 -0.159 0.000 2.032 317 A HA -0.142 4.178 4.320 0.001 0.000 0.221 317 A C 2.068 179.434 177.584 -0.363 0.000 1.165 317 A CA 1.280 53.174 52.037 -0.239 0.000 0.645 317 A CB -0.431 18.482 19.000 -0.145 0.000 0.807 317 A HN 0.623 nan 8.150 nan 0.000 0.453 318 Q N -1.595 118.068 119.800 -0.228 0.000 2.204 318 Q HA 0.314 4.655 4.340 0.001 0.000 0.209 318 Q C 0.150 176.096 176.000 -0.090 0.000 0.861 318 Q CA 0.131 55.824 55.803 -0.184 0.000 0.971 318 Q CB -0.439 28.274 28.738 -0.041 0.000 1.095 318 Q HN 0.848 nan 8.270 nan 0.000 0.486 319 H N -2.304 116.836 119.070 0.116 0.000 1.452 319 H HA -0.229 4.328 4.556 0.001 0.000 0.090 319 H C 0.860 176.364 175.328 0.294 0.000 0.985 319 H CA 1.149 57.292 56.048 0.158 0.000 1.901 319 H CB -1.353 28.462 29.762 0.090 0.000 2.257 319 H HN 0.499 nan 8.280 nan 0.000 0.961 320 G N -2.847 106.159 108.800 0.343 0.000 2.280 320 G HA2 -0.074 3.886 3.960 0.001 0.000 0.277 320 G HA3 -0.074 3.886 3.960 0.001 0.000 0.277 320 G C 0.577 175.615 174.900 0.232 0.000 1.288 320 G CA 0.688 45.945 45.100 0.261 0.000 1.075 320 G HN 0.887 nan 8.290 nan 0.000 0.480 321 T N 0.227 114.889 114.554 0.180 0.000 2.737 321 T HA -0.230 4.120 4.350 0.001 0.000 0.269 321 T C 2.192 176.981 174.700 0.148 0.000 1.040 321 T CA 3.080 65.237 62.100 0.095 0.000 1.142 321 T CB -0.507 68.370 68.868 0.015 0.000 0.861 321 T HN 0.842 nan 8.240 nan 0.000 0.456 322 H N -0.017 119.034 119.070 -0.031 0.000 2.395 322 H HA 0.116 4.672 4.556 0.001 0.000 0.299 322 H C 2.322 177.590 175.328 -0.100 0.000 1.070 322 H CA 1.287 57.320 56.048 -0.024 0.000 1.356 322 H CB -1.277 28.511 29.762 0.044 0.000 1.401 322 H HN 0.345 nan 8.280 nan 0.000 0.524 323 V N 2.131 121.825 119.914 -0.366 0.000 2.453 323 V HA -0.215 3.906 4.120 0.001 0.000 0.247 323 V C 2.057 177.845 176.094 -0.511 0.000 1.048 323 V CA 1.678 63.682 62.300 -0.493 0.000 1.049 323 V CB -0.464 31.099 31.823 -0.434 0.000 0.672 323 V HN 0.400 nan 8.190 nan 0.000 0.457 324 N N 1.166 119.670 118.700 -0.327 0.000 2.166 324 N HA -0.130 4.611 4.740 0.001 0.000 0.186 324 N C 1.922 177.221 175.510 -0.352 0.000 1.019 324 N CA 1.688 54.525 53.050 -0.354 0.000 0.856 324 N CB -0.712 37.660 38.487 -0.192 0.000 0.993 324 N HN 0.520 nan 8.380 nan 0.000 0.426 325 G N 1.508 110.160 108.800 -0.247 0.000 2.421 325 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 325 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 325 G C 1.611 176.316 174.900 -0.325 0.000 1.171 325 G CA 0.558 45.527 45.100 -0.217 0.000 0.775 325 G HN 0.249 nan 8.290 nan 0.000 0.543 326 L N 0.785 121.754 121.223 -0.424 0.000 1.989 326 L HA 0.002 4.343 4.340 0.001 0.000 0.211 326 L C 2.770 179.296 176.870 -0.573 0.000 1.071 326 L CA 2.531 57.051 54.840 -0.533 0.000 0.749 326 L CB -0.673 41.048 42.059 -0.563 0.000 0.890 326 L HN 0.279 nan 8.230 nan 0.000 0.431 327 R N -1.117 118.840 120.500 -0.905 0.000 2.083 327 R HA -0.189 4.152 4.340 0.001 0.000 0.237 327 R C 2.477 178.476 176.300 -0.501 0.000 1.137 327 R CA 1.820 57.251 56.100 -1.114 0.000 0.951 327 R CB -0.623 28.610 30.300 -1.779 0.000 0.851 327 R HN 0.510 nan 8.270 nan 0.000 0.434 328 S N -0.727 114.727 115.700 -0.410 0.000 2.368 328 S HA -0.086 4.385 4.470 0.001 0.000 0.225 328 S C 1.907 176.405 174.600 -0.169 0.000 1.030 328 S CA 1.481 59.540 58.200 -0.235 0.000 0.999 328 S CB -0.498 62.590 63.200 -0.187 0.000 0.844 328 S HN 0.655 nan 8.310 nan 0.000 0.459 329 G N 1.125 109.814 108.800 -0.185 0.000 2.408 329 G HA2 -0.059 3.901 3.960 0.001 0.000 0.217 329 G HA3 -0.059 3.901 3.960 0.001 0.000 0.217 329 G C 1.395 176.210 174.900 -0.141 0.000 1.150 329 G CA 0.684 45.706 45.100 -0.130 0.000 0.776 329 G HN 0.516 nan 8.290 nan 0.000 0.542 330 L N 0.370 121.523 121.223 -0.117 0.000 2.156 330 L HA -0.021 4.320 4.340 0.001 0.000 0.208 330 L C 3.105 180.047 176.870 0.120 0.000 1.095 330 L CA 1.199 56.056 54.840 0.028 0.000 0.770 330 L CB -0.581 41.466 42.059 -0.021 0.000 0.914 330 L HN 0.149 nan 8.230 nan 0.000 0.439 331 T N -0.859 113.709 114.554 0.024 0.000 2.737 331 T HA -0.159 4.191 4.350 0.001 0.000 0.265 331 T C 1.439 176.124 174.700 -0.026 0.000 1.038 331 T CA 1.405 63.527 62.100 0.037 0.000 1.144 331 T CB -0.185 68.680 68.868 -0.005 0.000 0.866 331 T HN 0.290 nan 8.240 nan 0.000 0.434 332 D N 1.396 121.720 120.400 -0.127 0.000 2.117 332 D HA -0.023 4.617 4.640 0.001 0.000 0.197 332 D C 2.358 178.489 176.300 -0.282 0.000 0.987 332 D CA 1.239 55.122 54.000 -0.195 0.000 0.829 332 D CB -0.467 40.188 40.800 -0.241 0.000 0.961 332 D HN 0.395 nan 8.370 nan 0.000 0.460 333 A N 0.699 123.274 122.820 -0.409 0.000 1.902 333 A HA -0.144 4.177 4.320 0.001 0.000 0.217 333 A C 2.174 179.702 177.584 -0.094 0.000 1.181 333 A CA 0.974 52.864 52.037 -0.246 0.000 0.623 333 A CB -0.716 18.227 19.000 -0.095 0.000 0.818 333 A HN 0.215 nan 8.150 nan 0.000 0.443 334 L N -0.223 120.993 121.223 -0.011 0.000 2.093 334 L HA -0.086 4.255 4.340 0.001 0.000 0.208 334 L C 2.510 179.423 176.870 0.071 0.000 1.085 334 L CA 1.667 56.508 54.840 0.003 0.000 0.755 334 L CB -0.484 41.618 42.059 0.073 0.000 0.904 334 L HN 0.321 nan 8.230 nan 0.000 0.435 335 R N -0.544 119.983 120.500 0.044 0.000 2.075 335 R HA -0.144 4.197 4.340 0.001 0.000 0.232 335 R C 2.073 178.411 176.300 0.064 0.000 1.126 335 R CA 1.628 57.758 56.100 0.049 0.000 0.963 335 R CB -0.341 29.977 30.300 0.029 0.000 0.858 335 R HN 0.511 nan 8.270 nan 0.000 0.435 336 E N 0.023 120.263 120.200 0.066 0.000 2.110 336 E HA -0.195 4.155 4.350 0.001 0.000 0.193 336 E C 1.664 178.339 176.600 0.125 0.000 0.988 336 E CA 1.048 57.502 56.400 0.090 0.000 0.804 336 E CB -0.174 29.584 29.700 0.096 0.000 0.745 336 E HN 0.204 nan 8.360 nan 0.000 0.458 337 F N 0.983 120.906 119.950 -0.045 0.000 2.102 337 F HA -0.227 4.301 4.527 0.001 0.000 0.298 337 F C 2.082 177.881 175.800 -0.003 0.000 1.105 337 F CA 1.152 59.120 58.000 -0.054 0.000 1.239 337 F CB -0.294 38.609 39.000 -0.162 0.000 0.991 337 F HN 0.024 nan 8.300 nan 0.000 0.474 338 C N 0.514 119.861 119.300 0.078 0.000 2.432 338 C HA -0.140 4.321 4.460 0.001 0.000 0.280 338 C C 2.473 177.425 174.990 -0.064 0.000 1.353 338 C CA 0.939 59.940 59.018 -0.028 0.000 1.766 338 C CB -1.123 26.638 27.740 0.035 0.000 1.924 338 C HN 0.500 nan 8.230 nan 0.000 0.509 339 D N 0.025 120.419 120.400 -0.009 0.000 2.091 339 D HA -0.090 4.551 4.640 0.001 0.000 0.199 339 D C 1.804 178.092 176.300 -0.021 0.000 0.980 339 D CA 1.094 55.091 54.000 -0.005 0.000 0.831 339 D CB -0.494 40.329 40.800 0.038 0.000 0.987 339 D HN 0.458 nan 8.370 nan 0.000 0.460 340 F N 2.084 121.949 119.950 -0.141 0.000 2.102 340 F HA -0.127 4.400 4.527 0.001 0.000 0.298 340 F C 2.093 177.763 175.800 -0.217 0.000 1.105 340 F CA 1.244 59.150 58.000 -0.158 0.000 1.239 340 F CB 0.175 39.083 39.000 -0.153 0.000 0.991 340 F HN -0.208 nan 8.300 nan 0.000 0.474 341 R N 0.739 121.117 120.500 -0.203 0.000 2.307 341 R HA -0.014 4.327 4.340 0.001 0.000 0.199 341 R C -0.090 176.064 176.300 -0.244 0.000 1.000 341 R CA 0.694 56.611 56.100 -0.306 0.000 1.023 341 R CB -1.773 28.208 30.300 -0.532 0.000 0.908 341 R HN 0.475 nan 8.270 nan 0.000 0.473 342 N N 0.796 119.375 118.700 -0.202 0.000 2.696 342 N HA -0.172 4.568 4.740 0.001 0.000 0.256 342 N C 0.086 175.526 175.510 -0.116 0.000 1.031 342 N CA 0.005 52.967 53.050 -0.147 0.000 0.730 342 N CB -0.968 37.425 38.487 -0.157 0.000 0.894 342 N HN 0.202 nan 8.380 nan 0.000 0.544 343 L N -0.623 120.538 121.223 -0.104 0.000 2.585 343 L HA 0.226 4.566 4.340 0.001 0.000 0.226 343 L C 0.586 177.431 176.870 -0.041 0.000 1.113 343 L CA 0.053 54.850 54.840 -0.071 0.000 0.876 343 L CB 0.156 42.176 42.059 -0.064 0.000 1.072 343 L HN 0.265 nan 8.230 nan 0.000 0.468 344 L N 1.691 122.891 121.223 -0.038 0.000 2.360 344 L HA 0.227 4.568 4.340 0.001 0.000 0.276 344 L C -1.865 174.991 176.870 -0.022 0.000 1.121 344 L CA -1.688 53.139 54.840 -0.022 0.000 0.845 344 L CB 0.090 42.139 42.059 -0.017 0.000 1.143 344 L HN -0.147 nan 8.230 nan 0.000 0.452 345 P HA 0.086 nan 4.420 nan 0.000 0.273 345 P C -0.456 176.836 177.300 -0.013 0.000 1.250 345 P CA -0.684 62.407 63.100 -0.014 0.000 0.793 345 P CB 0.402 32.098 31.700 -0.008 0.000 1.011 346 R N 1.060 121.552 120.500 -0.014 0.000 2.504 346 R HA 0.153 4.493 4.340 0.001 0.000 0.291 346 R C 0.943 177.238 176.300 -0.008 0.000 0.974 346 R CA 1.218 57.311 56.100 -0.012 0.000 1.077 346 R CB -1.073 29.220 30.300 -0.012 0.000 0.926 346 R HN 0.821 nan 8.270 nan 0.000 0.407 347 G N 2.650 111.445 108.800 -0.008 0.000 2.168 347 G HA2 -0.263 3.698 3.960 0.001 0.000 0.257 347 G HA3 -0.263 3.698 3.960 0.001 0.000 0.257 347 G C -0.180 174.719 174.900 -0.001 0.000 0.997 347 G CA 0.317 45.414 45.100 -0.004 0.000 0.708 347 G HN 0.498 nan 8.290 nan 0.000 0.520 348 V N 0.831 120.744 119.914 -0.001 0.000 2.435 348 V HA 0.689 4.809 4.120 0.001 0.000 0.290 348 V C 0.006 176.102 176.094 0.005 0.000 1.030 348 V CA -0.755 61.547 62.300 0.003 0.000 0.881 348 V CB 1.851 33.676 31.823 0.003 0.000 0.983 348 V HN 0.204 nan 8.190 nan 0.000 0.445 349 K N 4.486 124.891 120.400 0.009 0.000 2.422 349 K HA 0.594 4.915 4.320 0.001 0.000 0.251 349 K C -1.039 175.573 176.600 0.019 0.000 0.933 349 K CA -0.648 55.646 56.287 0.012 0.000 0.798 349 K CB 2.751 35.257 32.500 0.010 0.000 1.238 349 K HN 0.482 nan 8.250 nan 0.000 0.428 350 L N 2.053 123.290 121.223 0.024 0.000 2.331 350 L HA 0.373 4.714 4.340 0.001 0.000 0.278 350 L C 0.482 177.372 176.870 0.034 0.000 1.106 350 L CA -0.545 54.316 54.840 0.035 0.000 0.824 350 L CB 1.120 43.205 42.059 0.043 0.000 1.142 350 L HN 0.620 nan 8.230 nan 0.000 0.443 351 A N 5.763 128.607 122.820 0.040 0.000 2.306 351 A HA 0.620 4.941 4.320 0.001 0.000 0.330 351 A C -1.600 176.013 177.584 0.048 0.000 1.146 351 A CA -1.572 50.485 52.037 0.033 0.000 0.827 351 A CB 0.807 19.826 19.000 0.030 0.000 1.178 351 A HN 0.585 nan 8.150 nan 0.000 0.490 352 P HA -0.215 nan 4.420 nan 0.000 0.216 352 P C 0.588 177.942 177.300 0.091 0.000 1.150 352 P CA 1.588 64.704 63.100 0.027 0.000 0.843 352 P CB 0.243 31.912 31.700 -0.052 0.000 0.787 353 E N 0.065 120.312 120.200 0.079 0.000 2.153 353 E HA -0.155 4.196 4.350 0.001 0.000 0.194 353 E C 1.829 178.518 176.600 0.147 0.000 0.988 353 E CA 1.166 57.638 56.400 0.121 0.000 0.811 353 E CB -0.825 28.922 29.700 0.079 0.000 0.746 353 E HN 0.362 nan 8.360 nan 0.000 0.466 354 D N -0.177 120.296 120.400 0.122 0.000 2.144 354 D HA -0.099 4.542 4.640 0.001 0.000 0.200 354 D C 1.908 178.320 176.300 0.187 0.000 0.978 354 D CA 0.909 54.983 54.000 0.124 0.000 0.833 354 D CB -0.036 40.818 40.800 0.091 0.000 0.961 354 D HN 0.096 nan 8.370 nan 0.000 0.470 355 V N 0.060 120.114 119.914 0.233 0.000 2.488 355 V HA -0.125 3.996 4.120 0.001 0.000 0.246 355 V C 2.062 178.442 176.094 0.476 0.000 1.046 355 V CA 0.914 63.436 62.300 0.371 0.000 1.053 355 V CB -0.243 31.780 31.823 0.333 0.000 0.679 355 V HN 0.359 nan 8.190 nan 0.000 0.458 356 W N 0.718 122.063 121.300 0.075 0.000 2.658 356 W HA -0.062 4.599 4.660 0.002 0.000 0.263 356 W C 2.047 178.543 176.519 -0.038 0.000 1.274 356 W CA 1.140 58.462 57.345 -0.039 0.000 1.343 356 W CB 0.141 29.548 29.460 -0.090 0.000 1.106 356 W HN 0.442 nan 8.180 nan 0.000 0.615 357 D N 0.611 121.083 120.400 0.120 0.000 2.133 357 D HA -0.222 4.418 4.640 0.001 0.000 0.192 357 D C 1.653 177.906 176.300 -0.077 0.000 1.001 357 D CA 1.624 55.644 54.000 0.033 0.000 0.844 357 D CB 0.164 41.006 40.800 0.071 0.000 0.944 357 D HN -0.164 nan 8.370 nan 0.000 0.447 358 R N -0.114 120.341 120.500 -0.076 0.000 2.552 358 R HA 0.234 4.574 4.340 0.001 0.000 0.314 358 R C -0.714 175.376 176.300 -0.351 0.000 1.041 358 R CA -0.200 55.824 56.100 -0.126 0.000 1.076 358 R CB 0.348 30.666 30.300 0.030 0.000 1.290 358 R HN 0.099 nan 8.270 nan 0.000 0.563 359 V N 1.304 120.833 119.914 -0.641 0.000 2.498 359 V HA 0.184 4.305 4.120 0.001 0.000 0.279 359 V C 0.636 176.314 176.094 -0.694 0.000 1.048 359 V CA -0.159 61.536 62.300 -1.008 0.000 0.967 359 V CB 1.633 32.501 31.823 -1.592 0.000 0.988 359 V HN 0.067 nan 8.190 nan 0.000 0.473 360 T N 5.980 120.204 114.554 -0.551 0.000 2.823 360 T HA 0.787 5.138 4.350 0.001 0.000 0.279 360 T C -0.896 173.639 174.700 -0.274 0.000 0.998 360 T CA -0.369 61.502 62.100 -0.381 0.000 0.994 360 T CB 0.427 69.114 68.868 -0.302 0.000 0.960 360 T HN 0.605 nan 8.240 nan 0.000 0.448 361 F N 2.200 121.934 119.950 -0.360 0.000 2.741 361 F HA 0.815 5.343 4.527 0.001 0.000 0.313 361 F C -2.172 173.566 175.800 -0.103 0.000 1.153 361 F CA -1.226 56.625 58.000 -0.247 0.000 0.931 361 F CB 0.943 39.764 39.000 -0.299 0.000 1.335 361 F HN 0.319 nan 8.300 nan 0.000 0.460 362 V N 2.408 122.405 119.914 0.138 0.000 2.612 362 V HA 0.618 4.739 4.120 0.001 0.000 0.301 362 V C -1.618 174.689 176.094 0.356 0.000 1.059 362 V CA -0.469 61.923 62.300 0.153 0.000 0.886 362 V CB 1.662 33.568 31.823 0.139 0.000 1.007 362 V HN 0.873 nan 8.190 nan 0.000 0.426 363 L N 4.112 125.587 121.223 0.420 0.000 2.385 363 L HA 0.841 5.182 4.340 0.001 0.000 0.273 363 L C -0.303 176.793 176.870 0.377 0.000 0.990 363 L CA 0.233 55.304 54.840 0.385 0.000 0.821 363 L CB 2.184 44.431 42.059 0.314 0.000 1.279 363 L HN 0.637 nan 8.230 nan 0.000 0.412 364 S N 5.145 121.029 115.700 0.307 0.000 2.707 364 S HA 0.694 5.165 4.470 0.001 0.000 0.312 364 S C -1.261 173.493 174.600 0.257 0.000 1.116 364 S CA -0.521 57.843 58.200 0.273 0.000 1.078 364 S CB 0.686 63.962 63.200 0.127 0.000 0.997 364 S HN 0.650 nan 8.310 nan 0.000 0.477 365 L N 4.907 126.303 121.223 0.289 0.000 2.334 365 L HA 0.711 5.052 4.340 0.001 0.000 0.276 365 L C -0.998 175.970 176.870 0.164 0.000 1.014 365 L CA -0.051 54.940 54.840 0.252 0.000 0.815 365 L CB 1.400 43.625 42.059 0.277 0.000 1.268 365 L HN 0.624 nan 8.230 nan 0.000 0.428 366 K N 6.888 127.365 120.400 0.129 0.000 2.502 366 K HA 0.645 4.966 4.320 0.001 0.000 0.254 366 K C -1.069 175.538 176.600 0.011 0.000 0.947 366 K CA -0.418 55.907 56.287 0.064 0.000 0.834 366 K CB 1.671 34.202 32.500 0.052 0.000 1.112 366 K HN 0.797 nan 8.250 nan 0.000 0.427 367 M N -0.998 118.592 119.600 -0.016 0.000 2.618 367 M HA 0.479 4.959 4.480 0.001 0.000 0.281 367 M C -0.953 175.314 176.300 -0.055 0.000 1.267 367 M CA -0.774 54.485 55.300 -0.067 0.000 0.845 367 M CB 2.037 34.582 32.600 -0.093 0.000 1.732 367 M HN 0.093 nan 8.290 nan 0.000 0.461 368 T N 1.524 116.037 114.554 -0.068 0.000 2.794 368 T HA 0.210 4.561 4.350 0.001 0.000 0.296 368 T C -0.490 174.180 174.700 -0.051 0.000 0.949 368 T CA 0.694 62.765 62.100 -0.048 0.000 1.101 368 T CB 0.154 68.993 68.868 -0.048 0.000 0.905 368 T HN 0.940 nan 8.240 nan 0.000 0.516 369 D N 3.325 123.708 120.400 -0.029 0.000 3.038 369 D HA -0.117 4.523 4.640 0.001 0.000 0.229 369 D C -2.193 174.062 176.300 -0.076 0.000 1.182 369 D CA -0.119 53.865 54.000 -0.026 0.000 0.852 369 D CB -0.068 40.719 40.800 -0.021 0.000 0.932 369 D HN 0.250 nan 8.370 nan 0.000 0.406 370 P HA 0.163 nan 4.420 nan 0.000 0.278 370 P C -0.619 176.431 177.300 -0.417 0.000 1.238 370 P CA -0.330 62.585 63.100 -0.308 0.000 0.794 370 P CB 0.950 32.413 31.700 -0.395 0.000 0.955 371 Q N 1.731 121.243 119.800 -0.479 0.000 2.282 371 Q HA 0.485 4.826 4.340 0.001 0.000 0.260 371 Q C -0.622 175.039 176.000 -0.565 0.000 0.964 371 Q CA -0.353 55.241 55.803 -0.348 0.000 0.880 371 Q CB 1.159 29.796 28.738 -0.168 0.000 1.286 371 Q HN 0.406 nan 8.270 nan 0.000 0.445 372 F N 0.204 120.130 119.950 -0.041 0.000 2.492 372 F HA 0.536 5.063 4.527 0.001 0.000 0.327 372 F C 0.855 176.640 175.800 -0.026 0.000 1.079 372 F CA -0.511 57.465 58.000 -0.039 0.000 0.967 372 F CB 1.793 40.770 39.000 -0.038 0.000 1.169 372 F HN 0.477 nan 8.300 nan 0.000 0.472 373 S N 0.402 116.193 115.700 0.152 0.000 2.841 373 S HA 0.974 5.445 4.470 0.001 0.000 0.318 373 S C -0.237 174.413 174.600 0.083 0.000 1.127 373 S CA -0.508 57.742 58.200 0.084 0.000 0.883 373 S CB 1.392 64.616 63.200 0.039 0.000 1.271 373 S HN 1.722 nan 8.310 nan 0.000 0.567 374 G N 0.814 109.643 108.800 0.049 0.000 2.690 374 G HA2 -0.023 3.938 3.960 0.001 0.000 0.686 374 G HA3 -0.023 3.938 3.960 0.001 0.000 0.686 374 G C 0.147 175.062 174.900 0.024 0.000 1.277 374 G CA -0.059 45.062 45.100 0.035 0.000 0.799 374 G HN 1.196 nan 8.290 nan 0.000 0.613 375 Q N -0.517 119.291 119.800 0.012 0.000 2.547 375 Q HA 0.023 4.363 4.340 0.001 0.000 0.217 375 Q C 1.189 177.188 176.000 -0.002 0.000 0.978 375 Q CA 1.949 57.755 55.803 0.004 0.000 0.962 375 Q CB -0.632 28.107 28.738 0.001 0.000 0.990 375 Q HN 1.648 nan 8.270 nan 0.000 0.538 376 T N -3.385 111.169 114.554 -0.001 0.000 3.622 376 T HA 0.207 4.558 4.350 0.001 0.000 0.312 376 T C -0.156 174.530 174.700 -0.022 0.000 0.888 376 T CA -0.446 61.645 62.100 -0.015 0.000 0.957 376 T CB 0.253 69.108 68.868 -0.021 0.000 1.200 376 T HN 0.090 nan 8.240 nan 0.000 0.633 377 K N 1.099 121.505 120.400 0.010 0.000 3.088 377 K HA -0.198 4.123 4.320 0.001 0.000 0.273 377 K C 0.046 176.641 176.600 -0.009 0.000 1.111 377 K CA 0.922 57.230 56.287 0.035 0.000 0.803 377 K CB -2.358 30.123 32.500 -0.031 0.000 1.226 377 K HN 0.698 nan 8.250 nan 0.000 0.485 378 E N 0.323 120.532 120.200 0.015 0.000 2.394 378 E HA 0.080 4.430 4.350 0.001 0.000 0.191 378 E C 0.311 176.964 176.600 0.087 0.000 1.044 378 E CA -0.140 56.263 56.400 0.005 0.000 0.939 378 E CB 0.386 30.067 29.700 -0.031 0.000 1.089 378 E HN 0.200 nan 8.360 nan 0.000 0.456 379 R N 1.239 121.848 120.500 0.180 0.000 2.621 379 R HA 0.288 4.629 4.340 0.001 0.000 0.284 379 R C -1.494 174.927 176.300 0.202 0.000 0.998 379 R CA -0.878 55.331 56.100 0.182 0.000 0.895 379 R CB 1.198 31.564 30.300 0.109 0.000 1.195 379 R HN 0.020 nan 8.270 nan 0.000 0.450 380 L N 2.974 124.249 121.223 0.086 0.000 2.319 380 L HA 0.249 4.589 4.340 0.001 0.000 0.280 380 L C 0.565 177.354 176.870 -0.136 0.000 1.099 380 L CA 0.780 55.493 54.840 -0.212 0.000 0.828 380 L CB 1.696 43.434 42.059 -0.535 0.000 1.150 380 L HN 0.776 nan 8.230 nan 0.000 0.442 381 S N 1.703 117.285 115.700 -0.197 0.000 2.505 381 S HA 0.164 4.635 4.470 0.001 0.000 0.216 381 S C 0.618 175.146 174.600 -0.121 0.000 1.018 381 S CA -0.013 58.120 58.200 -0.112 0.000 0.911 381 S CB 0.064 63.217 63.200 -0.080 0.000 0.818 381 S HN 0.753 nan 8.310 nan 0.000 0.497 382 S N 3.040 118.629 115.700 -0.185 0.000 2.887 382 S HA 0.076 4.547 4.470 0.001 0.000 0.337 382 S C 1.087 175.638 174.600 -0.081 0.000 1.209 382 S CA -0.084 58.031 58.200 -0.142 0.000 1.186 382 S CB 0.141 63.230 63.200 -0.184 0.000 0.925 382 S HN 0.458 nan 8.310 nan 0.000 0.522 383 R N 2.489 122.955 120.500 -0.056 0.000 2.152 383 R HA -0.198 4.143 4.340 0.001 0.000 0.232 383 R C 2.451 178.743 176.300 -0.013 0.000 1.117 383 R CA 1.413 57.495 56.100 -0.030 0.000 0.981 383 R CB -0.177 30.107 30.300 -0.027 0.000 0.870 383 R HN 0.689 nan 8.270 nan 0.000 0.451 384 Q N 0.995 120.783 119.800 -0.019 0.000 2.124 384 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 384 Q C 1.974 178.005 176.000 0.052 0.000 0.977 384 Q CA 1.909 57.713 55.803 0.002 0.000 0.850 384 Q CB -0.156 28.564 28.738 -0.031 0.000 0.901 384 Q HN 0.326 nan 8.270 nan 0.000 0.429 385 A N 0.506 123.350 122.820 0.039 0.000 1.972 385 A HA -0.073 4.248 4.320 0.001 0.000 0.219 385 A C 2.303 179.971 177.584 0.139 0.000 1.169 385 A CA 1.672 53.781 52.037 0.120 0.000 0.635 385 A CB -1.139 17.893 19.000 0.052 0.000 0.810 385 A HN 0.600 nan 8.150 nan 0.000 0.446 386 A N -0.385 122.472 122.820 0.063 0.000 1.858 386 A HA 0.118 4.439 4.320 0.001 0.000 0.216 386 A C 2.453 180.050 177.584 0.022 0.000 1.190 386 A CA 1.954 54.002 52.037 0.020 0.000 0.617 386 A CB -1.466 17.527 19.000 -0.011 0.000 0.827 386 A HN 0.742 nan 8.150 nan 0.000 0.443 387 G N -1.345 107.484 108.800 0.049 0.000 2.422 387 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 387 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 387 G C 1.446 176.407 174.900 0.101 0.000 1.146 387 G CA 1.186 46.320 45.100 0.056 0.000 0.769 387 G HN 0.471 nan 8.290 nan 0.000 0.547 388 F N 1.665 121.616 119.950 0.001 0.000 2.069 388 F HA -0.023 4.505 4.527 0.001 0.000 0.298 388 F C 2.445 178.264 175.800 0.032 0.000 1.113 388 F CA 1.256 59.268 58.000 0.021 0.000 1.214 388 F CB -0.369 38.646 39.000 0.024 0.000 0.978 388 F HN 0.115 nan 8.300 nan 0.000 0.474 389 I N 0.077 120.515 120.570 -0.221 0.000 2.315 389 I HA -0.226 3.945 4.170 0.001 0.000 0.248 389 I C 2.477 178.429 176.117 -0.275 0.000 1.117 389 I CA 1.498 62.591 61.300 -0.346 0.000 1.404 389 I CB -0.715 37.189 38.000 -0.161 0.000 1.071 389 I HN 0.295 nan 8.210 nan 0.000 0.419 390 E N 1.462 121.564 120.200 -0.163 0.000 2.058 390 E HA -0.222 4.129 4.350 0.001 0.000 0.194 390 E C 2.289 178.863 176.600 -0.044 0.000 0.997 390 E CA 1.596 57.929 56.400 -0.113 0.000 0.801 390 E CB -0.223 29.443 29.700 -0.057 0.000 0.746 390 E HN 0.504 nan 8.360 nan 0.000 0.450 391 G N 0.472 109.244 108.800 -0.046 0.000 2.422 391 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 391 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 391 G C 1.615 176.509 174.900 -0.009 0.000 1.146 391 G CA 0.954 46.046 45.100 -0.014 0.000 0.769 391 G HN 0.422 nan 8.290 nan 0.000 0.547 392 A N 1.240 123.993 122.820 -0.111 0.000 1.855 392 A HA 0.312 4.633 4.320 0.001 0.000 0.215 392 A C 2.826 180.484 177.584 0.123 0.000 1.191 392 A CA 2.271 54.298 52.037 -0.017 0.000 0.613 392 A CB -0.881 18.035 19.000 -0.140 0.000 0.829 392 A HN 0.757 nan 8.150 nan 0.000 0.442 393 A N -1.429 121.299 122.820 -0.155 0.000 1.930 393 A HA -0.176 4.145 4.320 0.001 0.000 0.217 393 A C 2.141 179.808 177.584 0.139 0.000 1.175 393 A CA 1.854 53.740 52.037 -0.252 0.000 0.627 393 A CB -0.879 17.752 19.000 -0.614 0.000 0.815 393 A HN 0.695 nan 8.150 nan 0.000 0.443 394 H N 0.791 119.871 119.070 0.017 0.000 2.267 394 H HA -0.136 4.421 4.556 0.001 0.000 0.297 394 H C 1.451 176.858 175.328 0.132 0.000 1.080 394 H CA 2.017 58.111 56.048 0.077 0.000 1.278 394 H CB -0.343 29.434 29.762 0.025 0.000 1.365 394 H HN 0.398 nan 8.280 nan 0.000 0.489 395 D N 0.311 120.907 120.400 0.326 0.000 2.117 395 D HA -0.095 4.546 4.640 0.001 0.000 0.197 395 D C 2.244 178.718 176.300 0.290 0.000 0.987 395 D CA 1.398 55.536 54.000 0.230 0.000 0.829 395 D CB -0.541 40.336 40.800 0.128 0.000 0.961 395 D HN 0.477 nan 8.370 nan 0.000 0.460 396 A N 0.297 123.357 122.820 0.400 0.000 1.897 396 A HA -0.130 4.191 4.320 0.001 0.000 0.215 396 A C 2.029 180.007 177.584 0.657 0.000 1.181 396 A CA 0.726 53.092 52.037 0.548 0.000 0.620 396 A CB -0.811 18.631 19.000 0.736 0.000 0.821 396 A HN 0.176 nan 8.150 nan 0.000 0.443 397 F N 1.221 121.394 119.950 0.371 0.000 2.186 397 F HA -0.049 4.478 4.527 0.001 0.000 0.299 397 F C 2.563 178.324 175.800 -0.065 0.000 1.090 397 F CA 1.148 59.089 58.000 -0.099 0.000 1.307 397 F CB -0.571 38.305 39.000 -0.206 0.000 1.019 397 F HN 0.194 nan 8.300 nan 0.000 0.489 398 S N 0.472 116.205 115.700 0.055 0.000 2.356 398 S HA -0.182 4.289 4.470 0.001 0.000 0.223 398 S C 1.995 176.565 174.600 -0.051 0.000 1.032 398 S CA 1.324 59.495 58.200 -0.048 0.000 1.005 398 S CB -0.681 62.588 63.200 0.115 0.000 0.867 398 S HN 0.369 nan 8.310 nan 0.000 0.449 399 L N 0.588 121.852 121.223 0.068 0.000 1.989 399 L HA -0.113 4.228 4.340 0.001 0.000 0.211 399 L C 2.060 178.948 176.870 0.029 0.000 1.071 399 L CA 1.844 56.724 54.840 0.066 0.000 0.749 399 L CB -0.832 41.312 42.059 0.142 0.000 0.890 399 L HN 0.400 nan 8.230 nan 0.000 0.431 400 Y N -0.468 119.817 120.300 -0.025 0.000 2.128 400 Y HA -0.276 4.275 4.550 0.001 0.000 0.284 400 Y C 2.241 177.983 175.900 -0.263 0.000 1.154 400 Y CA 2.097 60.157 58.100 -0.066 0.000 1.149 400 Y CB -0.335 38.131 38.460 0.011 0.000 0.976 400 Y HN 0.177 nan 8.280 nan 0.000 0.505 401 L N 0.301 121.254 121.223 -0.450 0.000 2.042 401 L HA -0.299 4.042 4.340 0.001 0.000 0.210 401 L C 1.972 178.579 176.870 -0.438 0.000 1.076 401 L CA 1.584 55.973 54.840 -0.751 0.000 0.749 401 L CB -0.705 40.617 42.059 -1.228 0.000 0.893 401 L HN 0.277 nan 8.230 nan 0.000 0.432 402 N N -0.250 118.318 118.700 -0.221 0.000 2.453 402 N HA -0.145 4.596 4.740 0.001 0.000 0.183 402 N C 1.369 176.820 175.510 -0.099 0.000 1.041 402 N CA 0.901 53.913 53.050 -0.062 0.000 0.900 402 N CB -0.014 38.435 38.487 -0.063 0.000 0.961 402 N HN 0.526 nan 8.380 nan 0.000 0.443 403 Q N -0.501 119.182 119.800 -0.196 0.000 2.194 403 Q HA 0.236 4.576 4.340 0.001 0.000 0.214 403 Q C -0.453 175.392 176.000 -0.259 0.000 0.838 403 Q CA -0.005 55.690 55.803 -0.181 0.000 0.972 403 Q CB 0.661 29.310 28.738 -0.148 0.000 1.131 403 Q HN 0.225 nan 8.270 nan 0.000 0.498 404 N N 0.354 118.839 118.700 -0.359 0.000 2.711 404 N HA 0.081 4.821 4.740 0.001 0.000 0.263 404 N C 0.477 175.857 175.510 -0.216 0.000 1.667 404 N CA 0.116 52.954 53.050 -0.353 0.000 0.785 404 N CB 1.681 39.747 38.487 -0.702 0.000 1.231 404 N HN -0.094 nan 8.380 nan 0.000 0.503 405 V N 0.936 120.811 119.914 -0.065 0.000 2.231 405 V HA -0.280 3.840 4.120 0.001 0.000 0.248 405 V C 2.196 178.342 176.094 0.087 0.000 1.054 405 V CA 1.865 64.221 62.300 0.093 0.000 1.015 405 V CB -0.177 31.704 31.823 0.096 0.000 0.638 405 V HN 0.487 nan 8.190 nan 0.000 0.444 406 E N -0.255 119.962 120.200 0.029 0.000 2.038 406 E HA -0.226 4.125 4.350 0.001 0.000 0.195 406 E C 2.193 178.804 176.600 0.018 0.000 1.000 406 E CA 1.773 58.190 56.400 0.029 0.000 0.803 406 E CB -0.266 29.443 29.700 0.016 0.000 0.750 406 E HN 0.562 nan 8.360 nan 0.000 0.448 407 I N 0.849 121.416 120.570 -0.005 0.000 2.208 407 I HA -0.211 3.960 4.170 0.001 0.000 0.245 407 I C 2.552 178.641 176.117 -0.048 0.000 1.097 407 I CA 1.194 62.501 61.300 0.011 0.000 1.363 407 I CB -0.545 37.497 38.000 0.069 0.000 1.051 407 I HN 0.181 nan 8.210 nan 0.000 0.413 408 G N 0.393 109.105 108.800 -0.147 0.000 2.418 408 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 408 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 408 G C 1.499 176.322 174.900 -0.127 0.000 1.158 408 G CA 0.555 45.418 45.100 -0.395 0.000 0.771 408 G HN 0.436 nan 8.290 nan 0.000 0.545 409 E N 0.352 120.634 120.200 0.136 0.000 2.204 409 E HA -0.065 4.286 4.350 0.001 0.000 0.194 409 E C 2.428 179.053 176.600 0.043 0.000 0.989 409 E CA 0.677 57.183 56.400 0.178 0.000 0.824 409 E CB -0.045 29.736 29.700 0.136 0.000 0.756 409 E HN 0.406 nan 8.360 nan 0.000 0.477 410 K N 0.532 120.933 120.400 0.002 0.000 2.155 410 K HA -0.033 4.287 4.320 0.001 0.000 0.203 410 K C 2.108 178.668 176.600 -0.067 0.000 1.052 410 K CA 0.729 57.009 56.287 -0.012 0.000 0.948 410 K CB 0.050 32.555 32.500 0.007 0.000 0.728 410 K HN 0.111 nan 8.250 nan 0.000 0.448 411 I N 0.994 121.470 120.570 -0.156 0.000 2.202 411 I HA -0.242 3.928 4.170 0.001 0.000 0.242 411 I C 2.514 178.435 176.117 -0.326 0.000 1.091 411 I CA 0.957 62.037 61.300 -0.366 0.000 1.368 411 I CB -0.408 37.213 38.000 -0.631 0.000 1.058 411 I HN 0.120 nan 8.210 nan 0.000 0.410 412 A N 0.234 122.940 122.820 -0.189 0.000 1.908 412 A HA -0.311 4.010 4.320 0.001 0.000 0.218 412 A C 2.236 179.798 177.584 -0.036 0.000 1.181 412 A CA 2.021 54.016 52.037 -0.070 0.000 0.627 412 A CB -0.660 18.390 19.000 0.084 0.000 0.818 412 A HN 0.395 nan 8.150 nan 0.000 0.445 413 Q N -0.019 119.767 119.800 -0.024 0.000 2.170 413 Q HA -0.069 4.271 4.340 0.001 0.000 0.203 413 Q C 1.734 177.734 176.000 -0.001 0.000 0.976 413 Q CA 1.616 57.417 55.803 -0.004 0.000 0.858 413 Q CB -0.485 28.255 28.738 0.003 0.000 0.907 413 Q HN 0.727 nan 8.270 nan 0.000 0.433 414 I N -0.291 120.270 120.570 -0.014 0.000 2.179 414 I HA -0.295 3.876 4.170 0.001 0.000 0.242 414 I C 2.117 178.261 176.117 0.044 0.000 1.088 414 I CA 1.110 62.425 61.300 0.025 0.000 1.357 414 I CB -0.481 37.549 38.000 0.051 0.000 1.051 414 I HN 0.265 nan 8.210 nan 0.000 0.409 415 A N 0.883 123.717 122.820 0.022 0.000 1.898 415 A HA -0.130 4.190 4.320 0.001 0.000 0.216 415 A C 2.265 179.877 177.584 0.046 0.000 1.181 415 A CA 1.301 53.374 52.037 0.060 0.000 0.620 415 A CB -0.745 18.288 19.000 0.055 0.000 0.819 415 A HN 0.379 nan 8.150 nan 0.000 0.442 416 I N -0.004 120.582 120.570 0.026 0.000 2.286 416 I HA -0.225 3.945 4.170 0.001 0.000 0.248 416 I C 1.631 177.762 176.117 0.024 0.000 1.115 416 I CA 1.291 62.605 61.300 0.023 0.000 1.392 416 I CB -0.453 37.555 38.000 0.014 0.000 1.065 416 I HN 0.220 nan 8.210 nan 0.000 0.418 417 D N 0.726 121.141 120.400 0.025 0.000 2.178 417 D HA -0.143 4.498 4.640 0.001 0.000 0.201 417 D C 2.330 178.648 176.300 0.030 0.000 0.980 417 D CA 1.038 55.053 54.000 0.025 0.000 0.842 417 D CB -0.168 40.648 40.800 0.027 0.000 0.948 417 D HN 0.303 nan 8.370 nan 0.000 0.472 418 R N 0.359 120.883 120.500 0.039 0.000 2.062 418 R HA 0.057 4.398 4.340 0.001 0.000 0.229 418 R C 2.276 178.598 176.300 0.036 0.000 1.128 418 R CA 0.987 57.112 56.100 0.042 0.000 0.960 418 R CB -0.253 30.081 30.300 0.057 0.000 0.855 418 R HN 0.086 nan 8.270 nan 0.000 0.432 419 A N 0.787 123.628 122.820 0.036 0.000 1.865 419 A HA -0.181 4.140 4.320 0.001 0.000 0.217 419 A C 2.253 179.850 177.584 0.021 0.000 1.191 419 A CA 1.966 54.021 52.037 0.029 0.000 0.623 419 A CB -0.635 18.382 19.000 0.028 0.000 0.826 419 A HN 0.243 nan 8.150 nan 0.000 0.444 420 S N -0.389 115.323 115.700 0.019 0.000 2.400 420 S HA 0.068 4.539 4.470 0.001 0.000 0.232 420 S C 1.273 175.882 174.600 0.014 0.000 1.025 420 S CA 0.781 58.989 58.200 0.014 0.000 0.993 420 S CB -0.378 62.829 63.200 0.011 0.000 0.808 420 S HN 0.772 nan 8.310 nan 0.000 0.478 421 A N 1.859 124.689 122.820 0.018 0.000 3.004 421 A HA 0.616 4.937 4.320 0.001 0.000 0.286 421 A C 0.416 178.011 177.584 0.018 0.000 1.632 421 A CA -0.314 51.733 52.037 0.017 0.000 1.339 421 A CB -0.329 18.682 19.000 0.020 0.000 1.136 421 A HN 0.395 nan 8.150 nan 0.000 0.577 422 R N 0.000 120.509 120.500 0.015 0.000 2.786 422 R HA 0.000 4.341 4.340 0.001 0.000 0.208 422 R CA 0.000 56.109 56.100 0.015 0.000 0.921 422 R CB 0.000 30.311 30.300 0.018 0.000 0.687 422 R HN 0.000 nan 8.270 nan 0.000 0.535