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 2cvo_1_C DATA FIRST_RESID 68 DATA SEQUENCE KSGEEVRIAV LGASGYTGAE IVRLLANHPQ FRIKVMTADR KAGEQFGSVF DATA SEQUENCE PHLITQDLPN LVAVKDADFS NVDAVFCXLP HGTTQEIIKG LPQELKIVDL DATA SEQUENCE SADFRLRDIN EYAEWYGHSH RAPELQQEAV YGLTEVLRNE IRNARLVANP DATA SEQUENCE GCYPTSIQLP LVPLIKAKLI KVSNIIIDAK SGVSGAGRGA KEANLYTEIA DATA SEQUENCE EGIHAYGIKG HRHVPEIEQG LSEAAESKVT ISFTPNLICM KRGMQSTMFV DATA SEQUENCE EMAPGVTAND LYQHLKSTYE GEEFVKLLNG SSVPHTRHVV GSNYCFMNVF DATA SEQUENCE EDRIPGRAII ISVIDNLVKG ASGQAVQNLN LMMGLPENTG LQYQPLFP 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 68 K HA 0.000 nan 4.320 nan 0.000 0.191 68 K C 0.000 176.604 176.600 0.006 0.000 0.988 68 K CA 0.000 56.298 56.287 0.018 0.000 0.838 68 K CB 0.000 32.517 32.500 0.027 0.000 1.064 69 S N 1.797 117.499 115.700 0.005 0.000 2.727 69 S HA 0.831 5.301 4.470 -0.000 0.000 0.278 69 S C -0.289 174.314 174.600 0.006 0.000 1.186 69 S CA 0.413 58.612 58.200 -0.002 0.000 0.836 69 S CB 0.973 64.161 63.200 -0.019 0.000 1.186 69 S HN 1.389 nan 8.310 nan 0.000 0.499 70 G N 1.742 110.543 108.800 0.002 0.000 2.591 70 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.278 70 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.278 70 G C -0.460 174.454 174.900 0.024 0.000 1.293 70 G CA 0.584 45.690 45.100 0.010 0.000 0.930 70 G HN 1.252 nan 8.290 nan 0.000 0.562 71 E N 0.234 120.454 120.200 0.033 0.000 2.200 71 E HA 0.516 4.866 4.350 -0.000 0.000 0.283 71 E C 0.237 176.875 176.600 0.064 0.000 1.015 71 E CA -0.300 56.124 56.400 0.041 0.000 0.819 71 E CB 1.447 31.169 29.700 0.037 0.000 1.081 71 E HN 0.683 nan 8.360 nan 0.000 0.397 72 E N 3.044 123.280 120.200 0.060 0.000 2.384 72 E HA 0.088 4.437 4.350 -0.000 0.000 0.266 72 E C -1.034 175.618 176.600 0.087 0.000 1.012 72 E CA -0.484 55.964 56.400 0.080 0.000 0.901 72 E CB 0.929 30.663 29.700 0.057 0.000 0.967 72 E HN 0.424 nan 8.360 nan 0.000 0.435 73 V N 6.345 126.339 119.914 0.135 0.000 2.334 73 V HA 0.263 4.383 4.120 -0.000 0.000 0.281 73 V C 0.001 176.115 176.094 0.032 0.000 1.016 73 V CA -0.624 61.736 62.300 0.098 0.000 0.832 73 V CB 1.130 33.069 31.823 0.194 0.000 0.999 73 V HN 0.694 nan 8.190 nan 0.000 0.439 74 R N 5.298 125.792 120.500 -0.009 0.000 2.351 74 R HA 0.386 4.726 4.340 -0.000 0.000 0.318 74 R C -0.627 175.629 176.300 -0.073 0.000 1.055 74 R CA -0.164 55.920 56.100 -0.026 0.000 0.968 74 R CB 0.374 30.662 30.300 -0.020 0.000 0.974 74 R HN 0.478 nan 8.270 nan 0.000 0.439 75 I N 1.950 122.478 120.570 -0.069 0.000 2.525 75 I HA 0.426 4.596 4.170 -0.000 0.000 0.301 75 I C 0.297 176.392 176.117 -0.037 0.000 0.992 75 I CA -0.792 60.449 61.300 -0.098 0.000 1.162 75 I CB 1.677 39.634 38.000 -0.071 0.000 1.332 75 I HN 0.612 nan 8.210 nan 0.000 0.458 76 A N 5.899 128.709 122.820 -0.018 0.000 2.343 76 A HA 0.727 5.047 4.320 -0.000 0.000 0.316 76 A C -0.944 176.695 177.584 0.092 0.000 1.104 76 A CA -0.496 51.568 52.037 0.045 0.000 0.768 76 A CB 1.434 20.523 19.000 0.148 0.000 1.213 76 A HN 0.394 nan 8.150 nan 0.000 0.456 77 V N 3.996 123.961 119.914 0.086 0.000 2.350 77 V HA 0.327 4.447 4.120 -0.000 0.000 0.285 77 V C -0.376 175.783 176.094 0.109 0.000 1.014 77 V CA -0.213 62.158 62.300 0.117 0.000 0.831 77 V CB 1.040 32.892 31.823 0.047 0.000 1.000 77 V HN 0.743 nan 8.190 nan 0.000 0.433 78 L N 4.560 125.868 121.223 0.142 0.000 2.257 78 L HA 0.697 5.037 4.340 -0.000 0.000 0.290 78 L C 0.998 177.943 176.870 0.124 0.000 1.044 78 L CA -0.268 54.657 54.840 0.141 0.000 0.810 78 L CB 1.119 43.275 42.059 0.162 0.000 1.193 78 L HN 0.919 nan 8.230 nan 0.000 0.425 79 G N 2.681 111.552 108.800 0.117 0.000 2.545 79 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.279 79 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.279 79 G C 0.432 175.420 174.900 0.146 0.000 1.131 79 G CA -0.012 45.159 45.100 0.118 0.000 1.100 79 G HN 0.880 nan 8.290 nan 0.000 0.525 80 A N 0.124 123.055 122.820 0.185 0.000 2.308 80 A HA 0.556 4.876 4.320 -0.000 0.000 0.217 80 A C 2.262 180.154 177.584 0.513 0.000 1.216 80 A CA 1.518 53.720 52.037 0.274 0.000 0.864 80 A CB -0.148 18.944 19.000 0.154 0.000 0.902 80 A HN 1.868 nan 8.150 nan 0.000 0.499 81 S N -0.692 115.223 115.700 0.359 0.000 2.561 81 S HA 0.262 4.732 4.470 -0.000 0.000 0.225 81 S C 1.078 175.847 174.600 0.282 0.000 0.977 81 S CA 0.437 58.816 58.200 0.299 0.000 0.926 81 S CB -0.311 62.945 63.200 0.093 0.000 0.769 81 S HN 0.562 nan 8.310 nan 0.000 0.533 82 G N -0.412 108.544 108.800 0.259 0.000 2.557 82 G HA2 0.474 4.434 3.960 -0.000 0.000 0.302 82 G HA3 0.474 4.434 3.960 -0.000 0.000 0.302 82 G C 0.015 175.069 174.900 0.256 0.000 1.311 82 G CA -0.714 44.471 45.100 0.142 0.000 1.030 82 G HN 0.177 nan 8.290 nan 0.000 0.509 83 Y N -0.250 120.182 120.300 0.221 0.000 2.274 83 Y HA -0.076 4.473 4.550 -0.000 0.000 0.290 83 Y C 3.281 179.185 175.900 0.006 0.000 1.145 83 Y CA 1.447 59.593 58.100 0.077 0.000 1.203 83 Y CB -0.965 37.533 38.460 0.063 0.000 0.984 83 Y HN 0.378 nan 8.280 nan 0.000 0.533 84 T N -0.693 113.973 114.554 0.187 0.000 2.652 84 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 84 T C 2.334 177.069 174.700 0.057 0.000 1.039 84 T CA 1.656 63.815 62.100 0.098 0.000 1.153 84 T CB -0.946 67.978 68.868 0.094 0.000 0.863 84 T HN 0.544 nan 8.240 nan 0.000 0.428 85 G N 1.000 109.868 108.800 0.113 0.000 2.418 85 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.217 85 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.217 85 G C 1.855 176.809 174.900 0.089 0.000 1.158 85 G CA 0.896 46.067 45.100 0.118 0.000 0.771 85 G HN 0.587 nan 8.290 nan 0.000 0.545 86 A N 0.625 123.461 122.820 0.028 0.000 1.908 86 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 86 A C 2.249 179.807 177.584 -0.044 0.000 1.181 86 A CA 1.968 53.907 52.037 -0.163 0.000 0.627 86 A CB -0.309 18.202 19.000 -0.815 0.000 0.818 86 A HN 0.284 nan 8.150 nan 0.000 0.445 87 E N -0.102 120.074 120.200 -0.040 0.000 2.072 87 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 87 E C 1.988 178.545 176.600 -0.072 0.000 0.985 87 E CA 0.975 57.352 56.400 -0.038 0.000 0.801 87 E CB -0.367 29.306 29.700 -0.045 0.000 0.750 87 E HN 0.740 nan 8.360 nan 0.000 0.452 88 I N 0.418 120.914 120.570 -0.123 0.000 2.226 88 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 88 I C 2.421 178.453 176.117 -0.141 0.000 1.100 88 I CA 0.688 61.856 61.300 -0.219 0.000 1.374 88 I CB -0.282 37.535 38.000 -0.305 0.000 1.057 88 I HN -0.065 nan 8.210 nan 0.000 0.413 89 V N 0.882 120.730 119.914 -0.110 0.000 2.295 89 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 89 V C 2.661 178.742 176.094 -0.021 0.000 1.049 89 V CA 2.117 64.359 62.300 -0.097 0.000 1.024 89 V CB -0.772 30.972 31.823 -0.131 0.000 0.648 89 V HN 0.423 nan 8.190 nan 0.000 0.447 90 R N -0.204 120.304 120.500 0.013 0.000 2.080 90 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 90 R C 2.311 178.669 176.300 0.096 0.000 1.137 90 R CA 1.930 58.071 56.100 0.068 0.000 0.943 90 R CB -0.359 29.997 30.300 0.093 0.000 0.846 90 R HN 0.451 nan 8.270 nan 0.000 0.431 91 L N 0.587 121.838 121.223 0.048 0.000 2.046 91 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 91 L C 2.413 179.307 176.870 0.040 0.000 1.077 91 L CA 1.066 55.926 54.840 0.034 0.000 0.747 91 L CB -0.342 41.694 42.059 -0.039 0.000 0.896 91 L HN 0.307 nan 8.230 nan 0.000 0.432 92 L N -0.429 120.816 121.223 0.037 0.000 2.362 92 L HA -0.119 4.221 4.340 -0.000 0.000 0.219 92 L C 2.710 179.639 176.870 0.099 0.000 1.134 92 L CA 0.629 55.527 54.840 0.096 0.000 0.807 92 L CB -0.730 41.371 42.059 0.070 0.000 0.927 92 L HN 0.245 nan 8.230 nan 0.000 0.447 93 A N -0.075 122.790 122.820 0.075 0.000 2.067 93 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 93 A C 1.982 179.617 177.584 0.086 0.000 1.158 93 A CA 1.538 53.622 52.037 0.079 0.000 0.661 93 A CB -0.571 18.479 19.000 0.082 0.000 0.801 93 A HN 0.546 nan 8.150 nan 0.000 0.452 94 N N -1.328 117.413 118.700 0.068 0.000 2.236 94 N HA -0.051 4.689 4.740 -0.000 0.000 0.196 94 N C -0.291 175.179 175.510 -0.067 0.000 1.114 94 N CA -0.179 52.860 53.050 -0.019 0.000 0.859 94 N CB 0.040 38.390 38.487 -0.228 0.000 0.982 94 N HN 0.485 nan 8.380 nan 0.000 0.493 95 H N 2.218 121.237 119.070 -0.086 0.000 2.552 95 H HA 0.206 4.762 4.556 -0.000 0.000 0.311 95 H C -1.608 173.660 175.328 -0.100 0.000 1.071 95 H CA -1.550 54.420 56.048 -0.130 0.000 1.307 95 H CB 1.995 31.689 29.762 -0.112 0.000 1.416 95 H HN 0.170 nan 8.280 nan 0.000 0.464 96 P HA -0.095 nan 4.420 nan 0.000 0.225 96 P C 0.366 177.714 177.300 0.079 0.000 1.148 96 P CA 1.017 64.102 63.100 -0.026 0.000 0.779 96 P CB 0.805 32.432 31.700 -0.121 0.000 0.780 97 Q N -1.918 118.021 119.800 0.232 0.000 2.477 97 Q HA 0.192 4.532 4.340 -0.000 0.000 0.252 97 Q C 0.286 176.446 176.000 0.266 0.000 0.869 97 Q CA 0.148 56.064 55.803 0.187 0.000 0.969 97 Q CB -0.043 28.773 28.738 0.129 0.000 1.144 97 Q HN 0.077 nan 8.270 nan 0.000 0.577 98 F N 1.675 121.610 119.950 -0.024 0.000 2.506 98 F HA 0.374 4.901 4.527 -0.000 0.000 0.371 98 F C 0.372 176.138 175.800 -0.057 0.000 1.078 98 F CA -0.370 57.509 58.000 -0.203 0.000 1.195 98 F CB 0.237 38.910 39.000 -0.544 0.000 1.099 98 F HN -0.151 nan 8.300 nan 0.000 0.548 99 R N 3.284 123.874 120.500 0.149 0.000 2.476 99 R HA 0.519 4.859 4.340 -0.000 0.000 0.305 99 R C -0.900 175.421 176.300 0.035 0.000 0.965 99 R CA -0.497 55.651 56.100 0.081 0.000 0.867 99 R CB 1.033 31.372 30.300 0.064 0.000 1.176 99 R HN 0.586 nan 8.270 nan 0.000 0.447 100 I N 4.986 125.566 120.570 0.017 0.000 2.517 100 I HA 0.050 4.220 4.170 -0.000 0.000 0.285 100 I C 0.835 176.937 176.117 -0.026 0.000 1.106 100 I CA 0.231 61.523 61.300 -0.014 0.000 1.402 100 I CB 0.841 38.811 38.000 -0.050 0.000 1.399 100 I HN 0.519 nan 8.210 nan 0.000 0.535 101 K N 5.012 125.392 120.400 -0.033 0.000 2.425 101 K HA 0.335 4.655 4.320 -0.000 0.000 0.201 101 K C -0.443 176.123 176.600 -0.058 0.000 1.128 101 K CA 0.384 56.647 56.287 -0.039 0.000 1.000 101 K CB 1.207 33.685 32.500 -0.036 0.000 0.961 101 K HN 0.359 nan 8.250 nan 0.000 0.555 102 V N 2.246 122.121 119.914 -0.065 0.000 2.711 102 V HA 0.445 4.565 4.120 -0.000 0.000 0.304 102 V C -0.961 175.096 176.094 -0.062 0.000 1.097 102 V CA -0.593 61.656 62.300 -0.085 0.000 0.906 102 V CB 2.240 33.974 31.823 -0.149 0.000 1.015 102 V HN 0.039 nan 8.190 nan 0.000 0.427 103 M N 4.023 123.589 119.600 -0.057 0.000 2.327 103 M HA 0.610 5.090 4.480 -0.000 0.000 0.298 103 M C -0.465 175.840 176.300 0.009 0.000 1.065 103 M CA -0.428 54.850 55.300 -0.036 0.000 0.916 103 M CB 2.673 35.212 32.600 -0.102 0.000 1.630 103 M HN 0.776 nan 8.290 nan 0.000 0.442 104 T N -0.234 114.348 114.554 0.046 0.000 2.908 104 T HA 0.927 5.277 4.350 -0.000 0.000 0.290 104 T C -0.668 174.090 174.700 0.098 0.000 1.034 104 T CA -0.804 61.334 62.100 0.063 0.000 1.010 104 T CB 2.164 71.071 68.868 0.065 0.000 1.068 104 T HN 0.862 nan 8.240 nan 0.000 0.481 105 A N 2.248 125.120 122.820 0.088 0.000 2.664 105 A HA 0.475 4.795 4.320 -0.000 0.000 0.300 105 A C 0.281 177.900 177.584 0.058 0.000 1.210 105 A CA -0.658 51.432 52.037 0.089 0.000 0.863 105 A CB 0.142 19.214 19.000 0.121 0.000 1.464 105 A HN 0.759 nan 8.150 nan 0.000 0.438 106 D N 0.709 121.139 120.400 0.050 0.000 2.172 106 D HA -0.184 4.456 4.640 -0.000 0.000 0.196 106 D C 1.788 178.103 176.300 0.025 0.000 0.999 106 D CA 1.435 55.457 54.000 0.036 0.000 0.856 106 D CB 0.228 41.050 40.800 0.037 0.000 0.934 106 D HN 0.474 nan 8.370 nan 0.000 0.453 107 R N 0.038 120.550 120.500 0.020 0.000 2.276 107 R HA 0.096 4.436 4.340 -0.000 0.000 0.203 107 R C 0.516 176.816 176.300 0.000 0.000 1.017 107 R CA 0.489 56.593 56.100 0.006 0.000 1.010 107 R CB 0.287 30.585 30.300 -0.004 0.000 0.900 107 R HN 0.226 nan 8.270 nan 0.000 0.469 108 K N -0.135 120.272 120.400 0.012 0.000 2.972 108 K HA 0.293 4.613 4.320 -0.000 0.000 0.209 108 K C -0.614 176.001 176.600 0.026 0.000 1.128 108 K CA -0.216 56.076 56.287 0.008 0.000 1.024 108 K CB 1.646 34.145 32.500 -0.003 0.000 0.754 108 K HN -0.056 nan 8.250 nan 0.000 0.454 109 A N 0.360 123.195 122.820 0.024 0.000 2.477 109 A HA 0.476 4.796 4.320 -0.000 0.000 0.246 109 A C 1.335 178.931 177.584 0.020 0.000 1.078 109 A CA 1.064 53.116 52.037 0.026 0.000 0.770 109 A CB -0.195 18.817 19.000 0.019 0.000 1.011 109 A HN 0.656 nan 8.150 nan 0.000 0.494 110 G N 1.451 110.264 108.800 0.023 0.000 2.217 110 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.246 110 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.246 110 G C 0.086 175.000 174.900 0.023 0.000 0.990 110 G CA 0.483 45.593 45.100 0.018 0.000 0.627 110 G HN 0.848 nan 8.290 nan 0.000 0.522 111 E N 0.484 120.702 120.200 0.030 0.000 2.318 111 E HA 0.485 4.835 4.350 -0.000 0.000 0.265 111 E C 0.200 176.837 176.600 0.062 0.000 1.069 111 E CA -0.476 55.943 56.400 0.031 0.000 0.893 111 E CB 0.615 30.323 29.700 0.013 0.000 1.076 111 E HN 0.466 nan 8.360 nan 0.000 0.414 112 Q N 1.273 121.106 119.800 0.056 0.000 2.267 112 Q HA 0.119 4.459 4.340 -0.000 0.000 0.255 112 Q C 0.186 176.265 176.000 0.132 0.000 0.923 112 Q CA -0.249 55.610 55.803 0.093 0.000 0.925 112 Q CB 0.862 29.637 28.738 0.062 0.000 1.195 112 Q HN 0.604 nan 8.270 nan 0.000 0.417 113 F N 2.137 122.109 119.950 0.038 0.000 2.202 113 F HA -0.161 4.366 4.527 -0.000 0.000 0.301 113 F C 1.899 177.750 175.800 0.085 0.000 1.082 113 F CA 1.726 59.772 58.000 0.077 0.000 1.313 113 F CB 0.092 39.146 39.000 0.090 0.000 1.024 113 F HN 0.819 nan 8.300 nan 0.000 0.495 114 G N -1.677 107.213 108.800 0.149 0.000 2.498 114 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.219 114 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.219 114 G C 1.698 176.590 174.900 -0.014 0.000 1.119 114 G CA 0.909 46.045 45.100 0.061 0.000 0.766 114 G HN 0.426 nan 8.290 nan 0.000 0.552 115 S N -0.804 114.874 115.700 -0.038 0.000 2.425 115 S HA 0.015 4.485 4.470 -0.000 0.000 0.225 115 S C 2.376 176.881 174.600 -0.159 0.000 1.024 115 S CA 1.000 59.159 58.200 -0.069 0.000 0.951 115 S CB 0.012 63.185 63.200 -0.046 0.000 0.796 115 S HN 0.111 nan 8.310 nan 0.000 0.498 116 V N 0.217 119.969 119.914 -0.270 0.000 2.446 116 V HA 0.232 4.352 4.120 -0.000 0.000 0.244 116 V C 0.147 175.808 176.094 -0.722 0.000 1.039 116 V CA 0.908 62.903 62.300 -0.508 0.000 1.045 116 V CB -0.440 31.009 31.823 -0.622 0.000 0.681 116 V HN 0.441 nan 8.190 nan 0.000 0.459 117 F N 0.055 119.797 119.950 -0.346 0.000 2.552 117 F HA 0.439 4.966 4.527 -0.000 0.000 0.369 117 F C -1.874 173.889 175.800 -0.061 0.000 1.112 117 F CA -2.440 55.469 58.000 -0.151 0.000 1.129 117 F CB 1.252 40.116 39.000 -0.227 0.000 1.360 117 F HN 0.004 nan 8.300 nan 0.000 0.473 118 P HA -0.221 nan 4.420 nan 0.000 0.220 118 P C 1.626 179.013 177.300 0.144 0.000 1.144 118 P CA 1.450 64.614 63.100 0.106 0.000 0.800 118 P CB -0.166 31.582 31.700 0.080 0.000 0.772 119 H N -1.101 118.039 119.070 0.116 0.000 2.559 119 H HA 0.074 4.630 4.556 -0.000 0.000 0.273 119 H C 0.990 176.375 175.328 0.094 0.000 1.000 119 H CA 0.728 56.830 56.048 0.089 0.000 1.195 119 H CB -0.772 29.039 29.762 0.082 0.000 1.368 119 H HN 0.213 nan 8.280 nan 0.000 0.592 120 L N 1.808 122.849 121.223 -0.303 0.000 2.910 120 L HA 0.188 4.528 4.340 -0.000 0.000 0.252 120 L C 2.100 178.964 176.870 -0.010 0.000 1.195 120 L CA -0.178 54.543 54.840 -0.199 0.000 1.003 120 L CB 0.080 42.019 42.059 -0.201 0.000 1.328 120 L HN 0.137 nan 8.230 nan 0.000 0.540 121 I N -2.296 118.281 120.570 0.012 0.000 2.399 121 I HA -0.229 3.941 4.170 -0.000 0.000 0.254 121 I C 2.256 178.394 176.117 0.035 0.000 1.146 121 I CA 1.950 63.272 61.300 0.035 0.000 1.412 121 I CB -0.707 37.313 38.000 0.032 0.000 1.076 121 I HN 0.327 nan 8.210 nan 0.000 0.432 122 T N -1.957 112.614 114.554 0.027 0.000 3.148 122 T HA 0.099 4.449 4.350 -0.000 0.000 0.253 122 T C 0.881 175.599 174.700 0.030 0.000 1.134 122 T CA -0.111 62.005 62.100 0.027 0.000 1.051 122 T CB -0.193 68.690 68.868 0.025 0.000 0.959 122 T HN 0.328 nan 8.240 nan 0.000 0.525 123 Q N 2.510 122.331 119.800 0.035 0.000 2.267 123 Q HA 0.303 4.643 4.340 -0.000 0.000 0.255 123 Q C -0.884 175.138 176.000 0.037 0.000 0.923 123 Q CA -0.290 55.534 55.803 0.035 0.000 0.925 123 Q CB 1.421 30.179 28.738 0.034 0.000 1.195 123 Q HN 0.432 nan 8.270 nan 0.000 0.417 124 D N 3.317 123.733 120.400 0.026 0.000 2.374 124 D HA 0.291 4.931 4.640 -0.000 0.000 0.240 124 D C -1.020 175.288 176.300 0.013 0.000 1.229 124 D CA 0.055 54.069 54.000 0.022 0.000 0.895 124 D CB -0.082 40.729 40.800 0.018 0.000 1.046 124 D HN 0.309 nan 8.370 nan 0.000 0.498 125 L N 4.569 125.803 121.223 0.018 0.000 2.354 125 L HA 0.585 4.925 4.340 -0.000 0.000 0.264 125 L C -1.848 175.025 176.870 0.004 0.000 1.008 125 L CA -2.016 52.820 54.840 -0.007 0.000 0.819 125 L CB 2.064 44.105 42.059 -0.030 0.000 1.339 125 L HN 0.329 nan 8.230 nan 0.000 0.420 126 P HA 0.114 nan 4.420 nan 0.000 0.272 126 P C -1.176 176.133 177.300 0.013 0.000 1.230 126 P CA -0.508 62.588 63.100 -0.008 0.000 0.788 126 P CB 0.570 32.254 31.700 -0.028 0.000 0.949 127 N N 0.767 119.479 118.700 0.021 0.000 2.508 127 N HA 0.147 4.887 4.740 -0.000 0.000 0.264 127 N C 0.265 175.799 175.510 0.040 0.000 1.216 127 N CA -0.241 52.834 53.050 0.043 0.000 0.943 127 N CB 0.314 38.819 38.487 0.031 0.000 1.113 127 N HN 0.363 nan 8.380 nan 0.000 0.447 128 L N 1.403 122.671 121.223 0.074 0.000 2.490 128 L HA 0.094 4.434 4.340 -0.000 0.000 0.274 128 L C 0.663 177.555 176.870 0.037 0.000 1.201 128 L CA -0.191 54.693 54.840 0.073 0.000 0.869 128 L CB 0.171 42.304 42.059 0.123 0.000 1.123 128 L HN 0.273 nan 8.230 nan 0.000 0.484 129 V N 0.294 120.221 119.914 0.021 0.000 3.126 129 V HA 0.874 4.994 4.120 -0.000 0.000 0.314 129 V C 0.042 176.144 176.094 0.014 0.000 1.138 129 V CA -1.052 61.251 62.300 0.004 0.000 1.034 129 V CB 1.671 33.478 31.823 -0.027 0.000 1.075 129 V HN 0.804 nan 8.190 nan 0.000 0.442 130 A N 0.961 123.788 122.820 0.011 0.000 2.388 130 A HA 0.546 4.866 4.320 -0.000 0.000 0.257 130 A C 1.176 178.775 177.584 0.025 0.000 1.095 130 A CA 0.361 52.412 52.037 0.023 0.000 0.791 130 A CB 1.107 20.119 19.000 0.021 0.000 1.029 130 A HN 1.838 nan 8.150 nan 0.000 0.489 131 V N 2.931 122.876 119.914 0.051 0.000 2.453 131 V HA -0.271 3.849 4.120 -0.000 0.000 0.252 131 V C 2.407 178.552 176.094 0.083 0.000 1.068 131 V CA 2.809 65.158 62.300 0.082 0.000 1.070 131 V CB -0.752 31.142 31.823 0.118 0.000 0.664 131 V HN 1.063 nan 8.190 nan 0.000 0.461 132 K N -1.076 119.361 120.400 0.061 0.000 2.362 132 K HA -0.126 4.194 4.320 -0.000 0.000 0.200 132 K C 1.142 177.761 176.600 0.031 0.000 1.046 132 K CA 1.752 58.074 56.287 0.057 0.000 0.952 132 K CB -0.255 32.271 32.500 0.043 0.000 0.753 132 K HN 0.427 nan 8.250 nan 0.000 0.466 133 D N 1.027 121.429 120.400 0.002 0.000 2.369 133 D HA 0.135 4.775 4.640 -0.000 0.000 0.211 133 D C -0.183 176.062 176.300 -0.091 0.000 1.077 133 D CA 0.053 54.035 54.000 -0.029 0.000 0.842 133 D CB 0.696 41.481 40.800 -0.025 0.000 0.947 133 D HN 0.336 nan 8.370 nan 0.000 0.509 134 A N 1.115 123.851 122.820 -0.139 0.000 2.454 134 A HA 0.095 4.415 4.320 -0.000 0.000 0.260 134 A C 0.155 177.421 177.584 -0.529 0.000 1.106 134 A CA -0.012 51.799 52.037 -0.376 0.000 0.780 134 A CB 0.481 19.174 19.000 -0.511 0.000 1.044 134 A HN -0.109 nan 8.150 nan 0.000 0.498 135 D N 2.278 122.382 120.400 -0.493 0.000 2.317 135 D HA 0.401 5.041 4.640 -0.000 0.000 0.234 135 D C -0.399 175.624 176.300 -0.461 0.000 1.112 135 D CA -0.212 53.583 54.000 -0.342 0.000 0.840 135 D CB 0.468 41.166 40.800 -0.169 0.000 1.078 135 D HN 0.369 nan 8.370 nan 0.000 0.486 136 F N 1.162 121.097 119.950 -0.026 0.000 2.721 136 F HA -0.016 4.511 4.527 -0.000 0.000 0.301 136 F C 2.573 178.350 175.800 -0.038 0.000 1.096 136 F CA -0.130 57.848 58.000 -0.037 0.000 1.308 136 F CB 0.014 38.989 39.000 -0.041 0.000 1.086 136 F HN 0.343 nan 8.300 nan 0.000 0.587 137 S N 0.007 115.765 115.700 0.096 0.000 2.419 137 S HA -0.243 4.227 4.470 -0.000 0.000 0.235 137 S C 1.427 176.044 174.600 0.028 0.000 1.019 137 S CA 1.757 59.989 58.200 0.053 0.000 0.982 137 S CB -0.487 62.728 63.200 0.026 0.000 0.789 137 S HN 0.382 nan 8.310 nan 0.000 0.490 138 N N 0.443 119.150 118.700 0.011 0.000 2.401 138 N HA 0.332 5.072 4.740 -0.000 0.000 0.264 138 N C -1.289 174.220 175.510 -0.003 0.000 1.238 138 N CA -0.225 52.824 53.050 -0.002 0.000 0.889 138 N CB 0.889 39.367 38.487 -0.015 0.000 1.196 138 N HN 0.208 nan 8.380 nan 0.000 0.511 139 V N 0.161 120.089 119.914 0.023 0.000 2.628 139 V HA 0.334 4.454 4.120 -0.000 0.000 0.306 139 V C 0.250 176.344 176.094 -0.001 0.000 1.045 139 V CA -0.634 61.680 62.300 0.023 0.000 0.905 139 V CB 2.077 33.964 31.823 0.106 0.000 0.997 139 V HN 0.153 nan 8.190 nan 0.000 0.436 140 D N 2.022 122.394 120.400 -0.046 0.000 2.324 140 D HA 0.357 4.997 4.640 -0.000 0.000 0.212 140 D C 0.459 176.671 176.300 -0.147 0.000 0.984 140 D CA 0.954 54.906 54.000 -0.079 0.000 0.885 140 D CB 1.102 41.858 40.800 -0.073 0.000 0.996 140 D HN 0.641 nan 8.370 nan 0.000 0.505 141 A N 0.136 122.831 122.820 -0.208 0.000 2.587 141 A HA 0.616 4.936 4.320 -0.000 0.000 0.293 141 A C -1.361 176.017 177.584 -0.345 0.000 1.087 141 A CA -0.533 51.301 52.037 -0.338 0.000 0.692 141 A CB 1.862 20.541 19.000 -0.535 0.000 1.291 141 A HN -0.114 nan 8.150 nan 0.000 0.407 142 V N 0.770 120.439 119.914 -0.408 0.000 2.638 142 V HA 0.528 4.648 4.120 -0.000 0.000 0.306 142 V C -1.279 174.566 176.094 -0.416 0.000 1.052 142 V CA -0.289 61.832 62.300 -0.298 0.000 0.885 142 V CB 1.568 33.295 31.823 -0.161 0.000 0.999 142 V HN 0.733 nan 8.190 nan 0.000 0.424 143 F N 3.196 123.107 119.950 -0.064 0.000 2.388 143 F HA 0.604 5.131 4.527 -0.000 0.000 0.358 143 F C 0.445 176.240 175.800 -0.008 0.000 1.122 143 F CA -0.211 57.758 58.000 -0.053 0.000 1.056 143 F CB 1.424 40.387 39.000 -0.063 0.000 1.155 143 F HN 0.597 nan 8.300 nan 0.000 0.461 147 P HA 0.192 nan 4.420 nan 0.000 0.272 147 P C -1.111 176.216 177.300 0.046 0.000 1.240 147 P CA -0.210 62.867 63.100 -0.038 0.000 0.791 147 P CB 0.240 31.945 31.700 0.008 0.000 0.978 148 H N -0.419 118.739 119.070 0.146 0.000 2.732 148 H HA 0.302 4.858 4.556 -0.000 0.000 0.351 148 H C 1.519 177.015 175.328 0.280 0.000 1.090 148 H CA 0.761 56.928 56.048 0.198 0.000 1.431 148 H CB 0.175 30.095 29.762 0.263 0.000 1.447 148 H HN 0.755 nan 8.280 nan 0.000 0.582 149 G N 1.373 110.345 108.800 0.287 0.000 2.812 149 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.219 149 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.219 149 G C 1.620 176.519 174.900 -0.001 0.000 1.275 149 G CA 0.697 45.816 45.100 0.031 0.000 0.769 149 G HN 0.721 nan 8.290 nan 0.000 0.527 150 T N -1.433 113.167 114.554 0.077 0.000 2.788 150 T HA -0.017 4.333 4.350 -0.000 0.000 0.268 150 T C 2.217 176.942 174.700 0.041 0.000 1.044 150 T CA 2.706 64.838 62.100 0.053 0.000 1.139 150 T CB -0.825 68.084 68.868 0.068 0.000 0.867 150 T HN 0.512 nan 8.240 nan 0.000 0.454 151 T N 2.509 117.093 114.554 0.050 0.000 2.652 151 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 151 T C 2.174 176.910 174.700 0.060 0.000 1.039 151 T CA 1.878 64.016 62.100 0.064 0.000 1.153 151 T CB -0.476 68.440 68.868 0.079 0.000 0.863 151 T HN 0.590 nan 8.240 nan 0.000 0.428 152 Q N 0.326 120.078 119.800 -0.079 0.000 2.135 152 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 152 Q C 2.401 178.431 176.000 0.050 0.000 0.981 152 Q CA 1.419 57.175 55.803 -0.078 0.000 0.856 152 Q CB -0.181 28.301 28.738 -0.427 0.000 0.902 152 Q HN 0.423 nan 8.270 nan 0.000 0.425 153 E N 0.919 121.119 120.200 0.001 0.000 2.047 153 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 153 E C 1.652 178.270 176.600 0.029 0.000 0.987 153 E CA 0.952 57.362 56.400 0.016 0.000 0.799 153 E CB -0.077 29.628 29.700 0.008 0.000 0.752 153 E HN 0.201 nan 8.360 nan 0.000 0.449 154 I N 0.547 121.137 120.570 0.034 0.000 2.142 154 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 154 I C 2.291 178.392 176.117 -0.027 0.000 1.078 154 I CA 1.169 62.479 61.300 0.017 0.000 1.343 154 I CB -0.413 37.609 38.000 0.036 0.000 1.046 154 I HN 0.201 nan 8.210 nan 0.000 0.405 155 I N 0.094 120.670 120.570 0.011 0.000 2.264 155 I HA -0.330 3.840 4.170 -0.000 0.000 0.248 155 I C 2.451 178.534 176.117 -0.057 0.000 1.111 155 I CA 1.294 62.569 61.300 -0.042 0.000 1.382 155 I CB -0.456 37.569 38.000 0.042 0.000 1.060 155 I HN 0.250 nan 8.210 nan 0.000 0.418 156 K N 1.146 121.559 120.400 0.022 0.000 2.280 156 K HA -0.131 4.189 4.320 -0.000 0.000 0.202 156 K C 1.875 178.457 176.600 -0.030 0.000 1.047 156 K CA 1.419 57.711 56.287 0.010 0.000 0.942 156 K CB -0.135 32.398 32.500 0.055 0.000 0.739 156 K HN 0.389 nan 8.250 nan 0.000 0.457 157 G N 0.593 109.368 108.800 -0.042 0.000 2.838 157 G HA2 0.107 4.067 3.960 -0.000 0.000 0.210 157 G HA3 0.107 4.067 3.960 -0.000 0.000 0.210 157 G C 0.439 175.285 174.900 -0.090 0.000 1.153 157 G CA -0.380 44.693 45.100 -0.045 0.000 0.778 157 G HN 0.073 nan 8.290 nan 0.000 0.539 158 L N 2.019 123.138 121.223 -0.174 0.000 2.499 158 L HA 0.177 4.517 4.340 -0.000 0.000 0.281 158 L C -1.332 175.433 176.870 -0.174 0.000 1.234 158 L CA -1.367 53.303 54.840 -0.285 0.000 0.839 158 L CB 0.211 42.009 42.059 -0.436 0.000 1.104 158 L HN 0.071 nan 8.230 nan 0.000 0.500 159 P HA -0.013 nan 4.420 nan 0.000 0.272 159 P C -0.247 176.997 177.300 -0.094 0.000 1.230 159 P CA -0.360 62.694 63.100 -0.077 0.000 0.788 159 P CB 0.887 32.572 31.700 -0.025 0.000 0.949 160 Q N 1.108 120.866 119.800 -0.070 0.000 2.124 160 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 160 Q C 0.360 176.316 176.000 -0.073 0.000 0.977 160 Q CA 1.719 57.478 55.803 -0.073 0.000 0.850 160 Q CB -0.731 27.975 28.738 -0.054 0.000 0.901 160 Q HN 0.454 nan 8.270 nan 0.000 0.429 161 E N 0.309 120.475 120.200 -0.058 0.000 2.467 161 E HA 0.263 4.613 4.350 -0.000 0.000 0.321 161 E C -0.825 175.735 176.600 -0.067 0.000 1.388 161 E CA 0.206 56.574 56.400 -0.053 0.000 1.508 161 E CB -0.453 29.227 29.700 -0.034 0.000 1.250 161 E HN 0.229 nan 8.360 nan 0.000 0.500 162 L N 0.405 121.570 121.223 -0.096 0.000 2.518 162 L HA 0.460 4.800 4.340 -0.000 0.000 0.257 162 L C -0.416 176.364 176.870 -0.151 0.000 0.980 162 L CA -1.274 53.491 54.840 -0.125 0.000 0.837 162 L CB 2.057 44.025 42.059 -0.152 0.000 1.410 162 L HN -0.065 nan 8.230 nan 0.000 0.410 163 K N 2.970 123.261 120.400 -0.182 0.000 2.213 163 K HA 0.662 4.982 4.320 -0.000 0.000 0.270 163 K C -0.968 175.473 176.600 -0.265 0.000 1.002 163 K CA -0.284 55.880 56.287 -0.205 0.000 0.868 163 K CB 1.906 34.275 32.500 -0.218 0.000 1.093 163 K HN 0.443 nan 8.250 nan 0.000 0.454 164 I N 2.393 122.819 120.570 -0.240 0.000 2.466 164 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 164 I C -0.566 175.428 176.117 -0.205 0.000 1.026 164 I CA -1.189 59.962 61.300 -0.249 0.000 1.078 164 I CB 2.116 39.977 38.000 -0.232 0.000 1.249 164 I HN 0.015 nan 8.210 nan 0.000 0.429 165 V N 4.354 124.150 119.914 -0.197 0.000 2.376 165 V HA 0.235 4.355 4.120 -0.000 0.000 0.287 165 V C -0.642 175.473 176.094 0.035 0.000 1.015 165 V CA -0.465 61.798 62.300 -0.062 0.000 0.834 165 V CB 1.680 33.512 31.823 0.015 0.000 1.001 165 V HN 0.666 nan 8.190 nan 0.000 0.428 166 D N 3.969 124.398 120.400 0.049 0.000 2.317 166 D HA 0.363 5.003 4.640 -0.000 0.000 0.234 166 D C 0.584 176.962 176.300 0.131 0.000 1.112 166 D CA -0.328 53.740 54.000 0.113 0.000 0.840 166 D CB 1.790 42.695 40.800 0.176 0.000 1.078 166 D HN 0.292 nan 8.370 nan 0.000 0.486 167 L N 2.635 123.942 121.223 0.139 0.000 2.492 167 L HA 0.083 4.423 4.340 -0.000 0.000 0.223 167 L C 1.432 178.392 176.870 0.149 0.000 1.132 167 L CA 0.270 55.184 54.840 0.123 0.000 0.850 167 L CB -0.697 41.426 42.059 0.107 0.000 0.966 167 L HN 0.432 nan 8.230 nan 0.000 0.454 168 S N -0.490 115.315 115.700 0.175 0.000 2.633 168 S HA 0.380 4.849 4.470 -0.000 0.000 0.257 168 S C 1.192 175.921 174.600 0.214 0.000 1.265 168 S CA -0.047 58.291 58.200 0.230 0.000 0.980 168 S CB 1.041 64.388 63.200 0.246 0.000 1.017 168 S HN 0.106 nan 8.310 nan 0.000 0.577 169 A N -0.543 122.407 122.820 0.218 0.000 2.308 169 A HA 0.240 4.560 4.320 -0.000 0.000 0.217 169 A C 1.295 178.804 177.584 -0.125 0.000 1.216 169 A CA 0.252 52.327 52.037 0.064 0.000 0.864 169 A CB -0.746 18.298 19.000 0.073 0.000 0.902 169 A HN 0.783 nan 8.150 nan 0.000 0.499 170 D N -0.518 119.791 120.400 -0.152 0.000 2.228 170 D HA -0.137 4.503 4.640 -0.000 0.000 0.203 170 D C 0.408 176.300 176.300 -0.681 0.000 0.988 170 D CA 1.517 55.245 54.000 -0.454 0.000 0.864 170 D CB -0.186 40.326 40.800 -0.480 0.000 0.928 170 D HN 0.521 nan 8.370 nan 0.000 0.469 171 F N -0.879 119.029 119.950 -0.071 0.000 2.698 171 F HA 0.333 4.860 4.527 -0.000 0.000 0.304 171 F C 1.706 177.540 175.800 0.056 0.000 1.108 171 F CA -0.404 57.596 58.000 0.000 0.000 1.263 171 F CB 0.371 39.376 39.000 0.008 0.000 1.013 171 F HN -0.232 nan 8.300 nan 0.000 0.532 172 R N -0.042 120.567 120.500 0.181 0.000 2.075 172 R HA 0.130 4.470 4.340 -0.000 0.000 0.226 172 R C 0.381 176.737 176.300 0.095 0.000 1.114 172 R CA 0.696 56.922 56.100 0.209 0.000 0.972 172 R CB -0.072 30.357 30.300 0.215 0.000 0.869 172 R HN 0.154 nan 8.270 nan 0.000 0.437 173 L N 1.771 123.040 121.223 0.078 0.000 2.281 173 L HA 0.214 4.554 4.340 -0.000 0.000 0.285 173 L C 1.369 178.278 176.870 0.065 0.000 1.074 173 L CA -0.207 54.664 54.840 0.053 0.000 0.817 173 L CB 1.197 43.323 42.059 0.112 0.000 1.168 173 L HN 0.099 nan 8.230 nan 0.000 0.434 174 R N 0.632 121.144 120.500 0.020 0.000 2.092 174 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 174 R C 0.403 176.711 176.300 0.014 0.000 1.119 174 R CA 0.650 56.757 56.100 0.013 0.000 0.970 174 R CB -0.026 30.269 30.300 -0.008 0.000 0.864 174 R HN 0.599 nan 8.270 nan 0.000 0.440 175 D N 2.019 122.443 120.400 0.040 0.000 2.383 175 D HA -0.016 4.623 4.640 -0.000 0.000 0.245 175 D C 1.424 177.792 176.300 0.112 0.000 1.263 175 D CA -0.114 53.923 54.000 0.061 0.000 0.936 175 D CB 0.550 41.396 40.800 0.076 0.000 1.053 175 D HN 0.209 nan 8.370 nan 0.000 0.507 176 I N 1.070 121.677 120.570 0.061 0.000 2.423 176 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 176 I C 1.286 177.541 176.117 0.231 0.000 1.151 176 I CA 1.022 62.387 61.300 0.108 0.000 1.421 176 I CB -0.277 37.678 38.000 -0.075 0.000 1.079 176 I HN 0.152 nan 8.210 nan 0.000 0.431 177 N N 0.976 119.778 118.700 0.170 0.000 2.250 177 N HA -0.158 4.582 4.740 -0.000 0.000 0.181 177 N C 1.882 177.532 175.510 0.234 0.000 1.017 177 N CA 0.883 54.039 53.050 0.178 0.000 0.866 177 N CB -0.038 38.520 38.487 0.118 0.000 0.985 177 N HN 0.453 nan 8.380 nan 0.000 0.429 178 E N -0.387 119.964 120.200 0.251 0.000 2.268 178 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 178 E C 1.366 178.237 176.600 0.451 0.000 0.995 178 E CA 0.657 57.258 56.400 0.335 0.000 0.836 178 E CB 0.074 29.916 29.700 0.236 0.000 0.763 178 E HN 0.475 nan 8.360 nan 0.000 0.491 179 Y N -0.027 120.437 120.300 0.274 0.000 2.206 179 Y HA -0.037 4.513 4.550 -0.000 0.000 0.292 179 Y C 2.026 178.140 175.900 0.356 0.000 1.123 179 Y CA 1.462 59.743 58.100 0.302 0.000 1.142 179 Y CB -0.406 38.159 38.460 0.175 0.000 1.006 179 Y HN 0.054 nan 8.280 nan 0.000 0.518 180 A N 0.585 123.605 122.820 0.334 0.000 1.933 180 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 180 A C 2.049 179.684 177.584 0.084 0.000 1.175 180 A CA 1.839 54.001 52.037 0.208 0.000 0.628 180 A CB -0.572 18.573 19.000 0.241 0.000 0.814 180 A HN 0.575 nan 8.150 nan 0.000 0.444 181 E N -0.982 119.284 120.200 0.109 0.000 2.051 181 E HA -0.210 4.139 4.350 -0.000 0.000 0.192 181 E C 1.648 178.143 176.600 -0.174 0.000 0.991 181 E CA 1.286 57.665 56.400 -0.035 0.000 0.799 181 E CB -0.319 29.370 29.700 -0.018 0.000 0.748 181 E HN 0.924 nan 8.360 nan 0.000 0.449 182 W N -0.953 120.292 121.300 -0.091 0.000 2.942 182 W HA 0.048 4.708 4.660 -0.000 0.000 0.263 182 W C 1.069 177.261 176.519 -0.545 0.000 1.296 182 W CA 0.009 57.206 57.345 -0.246 0.000 1.504 182 W CB -0.024 29.323 29.460 -0.188 0.000 1.096 182 W HN 0.069 nan 8.180 nan 0.000 0.639 183 Y N -0.268 119.894 120.300 -0.230 0.000 2.557 183 Y HA 0.380 4.930 4.550 -0.000 0.000 0.247 183 Y C 1.839 177.469 175.900 -0.451 0.000 1.164 183 Y CA 0.102 57.952 58.100 -0.416 0.000 1.218 183 Y CB 0.538 38.505 38.460 -0.821 0.000 1.210 183 Y HN -0.013 nan 8.280 nan 0.000 0.529 184 G N 0.991 109.673 108.800 -0.196 0.000 2.155 184 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 184 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 184 G C -0.043 174.833 174.900 -0.041 0.000 0.983 184 G CA 0.612 45.617 45.100 -0.159 0.000 0.676 184 G HN 0.671 nan 8.290 nan 0.000 0.528 185 H N -3.054 116.027 119.070 0.019 0.000 3.068 185 H HA 0.648 5.204 4.556 -0.000 0.000 0.342 185 H C -0.194 175.241 175.328 0.178 0.000 1.284 185 H CA -0.617 55.483 56.048 0.086 0.000 1.181 185 H CB 0.554 30.375 29.762 0.099 0.000 1.898 185 H HN 0.097 nan 8.280 nan 0.000 0.540 186 S N 1.563 117.414 115.700 0.252 0.000 2.549 186 S HA -0.088 4.382 4.470 -0.000 0.000 0.286 186 S C 0.207 174.895 174.600 0.147 0.000 1.314 186 S CA -0.310 58.008 58.200 0.198 0.000 1.062 186 S CB -0.067 63.202 63.200 0.116 0.000 0.865 186 S HN 0.507 nan 8.310 nan 0.000 0.498 187 H N 3.109 122.229 119.070 0.083 0.000 3.046 187 H HA 0.053 4.609 4.556 -0.000 0.000 0.303 187 H C 0.998 176.216 175.328 -0.184 0.000 1.002 187 H CA 0.566 56.495 56.048 -0.199 0.000 1.460 187 H CB 0.189 29.802 29.762 -0.249 0.000 1.493 187 H HN 0.610 nan 8.280 nan 0.000 0.559 188 R N 3.230 123.646 120.500 -0.141 0.000 2.310 188 R HA 0.213 4.553 4.340 -0.000 0.000 0.202 188 R C 0.363 176.706 176.300 0.072 0.000 0.933 188 R CA 0.652 56.727 56.100 -0.042 0.000 1.054 188 R CB 0.707 30.927 30.300 -0.133 0.000 0.985 188 R HN 0.442 nan 8.270 nan 0.000 0.489 189 A N 1.225 124.213 122.820 0.280 0.000 3.365 189 A HA 0.269 4.589 4.320 -0.000 0.000 0.258 189 A C -2.026 175.638 177.584 0.133 0.000 0.964 189 A CA -0.991 51.197 52.037 0.251 0.000 0.988 189 A CB 0.559 19.787 19.000 0.379 0.000 1.193 189 A HN -0.073 nan 8.150 nan 0.000 0.508 190 P HA -0.215 nan 4.420 nan 0.000 0.215 190 P C 0.936 178.156 177.300 -0.133 0.000 1.153 190 P CA 1.359 64.294 63.100 -0.276 0.000 0.853 190 P CB 0.351 31.957 31.700 -0.157 0.000 0.788 191 E N 0.028 120.200 120.200 -0.046 0.000 2.031 191 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 191 E C 2.204 178.792 176.600 -0.020 0.000 0.994 191 E CA 0.813 57.196 56.400 -0.029 0.000 0.800 191 E CB -1.221 28.471 29.700 -0.014 0.000 0.752 191 E HN 0.178 nan 8.360 nan 0.000 0.447 192 L N 1.671 122.906 121.223 0.020 0.000 2.127 192 L HA -0.206 4.133 4.340 -0.000 0.000 0.211 192 L C 2.461 179.346 176.870 0.024 0.000 1.089 192 L CA 1.670 56.513 54.840 0.005 0.000 0.757 192 L CB -0.685 41.395 42.059 0.034 0.000 0.899 192 L HN 0.048 nan 8.230 nan 0.000 0.434 193 Q N -0.311 119.564 119.800 0.124 0.000 2.152 193 Q HA -0.264 4.076 4.340 -0.000 0.000 0.206 193 Q C 2.169 178.189 176.000 0.034 0.000 0.985 193 Q CA 1.983 57.874 55.803 0.147 0.000 0.863 193 Q CB -0.267 28.403 28.738 -0.113 0.000 0.904 193 Q HN 0.667 nan 8.270 nan 0.000 0.422 194 Q N -0.651 119.137 119.800 -0.020 0.000 2.291 194 Q HA -0.126 4.214 4.340 -0.000 0.000 0.205 194 Q C 1.473 177.458 176.000 -0.025 0.000 0.970 194 Q CA 1.147 56.936 55.803 -0.023 0.000 0.876 194 Q CB 0.136 28.855 28.738 -0.032 0.000 0.935 194 Q HN 0.389 nan 8.270 nan 0.000 0.455 195 E N 0.142 120.316 120.200 -0.043 0.000 2.385 195 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 195 E C 0.206 176.760 176.600 -0.076 0.000 1.013 195 E CA 0.129 56.491 56.400 -0.063 0.000 0.866 195 E CB 0.215 29.861 29.700 -0.089 0.000 0.832 195 E HN 0.214 nan 8.360 nan 0.000 0.500 196 A N 1.323 124.099 122.820 -0.075 0.000 2.425 196 A HA 0.306 4.625 4.320 -0.000 0.000 0.249 196 A C 0.150 177.739 177.584 0.008 0.000 1.084 196 A CA -0.166 51.829 52.037 -0.070 0.000 0.781 196 A CB 0.581 19.562 19.000 -0.032 0.000 1.019 196 A HN -0.045 nan 8.150 nan 0.000 0.490 197 V N 2.996 122.918 119.914 0.014 0.000 2.448 197 V HA 0.173 4.293 4.120 -0.000 0.000 0.295 197 V C -0.546 175.616 176.094 0.114 0.000 1.025 197 V CA -0.519 61.816 62.300 0.059 0.000 0.859 197 V CB 1.290 33.128 31.823 0.025 0.000 0.988 197 V HN 0.781 nan 8.190 nan 0.000 0.431 198 Y N 3.340 123.648 120.300 0.014 0.000 2.677 198 Y HA 0.309 4.859 4.550 -0.000 0.000 0.335 198 Y C 1.348 177.260 175.900 0.020 0.000 1.162 198 Y CA -0.070 58.043 58.100 0.021 0.000 1.483 198 Y CB 0.964 39.435 38.460 0.018 0.000 1.209 198 Y HN 0.733 nan 8.280 nan 0.000 0.528 199 G N 6.799 115.403 108.800 -0.326 0.000 3.375 199 G HA2 0.051 4.011 3.960 -0.000 0.000 0.247 199 G HA3 0.051 4.011 3.960 -0.000 0.000 0.247 199 G C -0.178 174.541 174.900 -0.302 0.000 1.343 199 G CA -0.388 44.556 45.100 -0.259 0.000 1.368 199 G HN 0.550 nan 8.290 nan 0.000 0.549 200 L N 1.808 122.836 121.223 -0.325 0.000 2.375 200 L HA 0.267 4.607 4.340 -0.000 0.000 0.276 200 L C 1.727 178.586 176.870 -0.018 0.000 1.162 200 L CA 0.084 54.832 54.840 -0.154 0.000 0.991 200 L CB -0.567 41.483 42.059 -0.015 0.000 1.315 200 L HN 0.183 nan 8.230 nan 0.000 0.431 201 T N 1.383 115.926 114.554 -0.018 0.000 2.567 201 T HA -0.303 4.047 4.350 -0.000 0.000 0.261 201 T C 1.366 176.116 174.700 0.083 0.000 1.123 201 T CA 2.346 64.466 62.100 0.034 0.000 1.166 201 T CB -0.120 68.771 68.868 0.039 0.000 0.860 201 T HN 0.565 nan 8.240 nan 0.000 0.436 202 E N 0.223 120.496 120.200 0.121 0.000 2.265 202 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 202 E C 2.179 178.879 176.600 0.167 0.000 0.996 202 E CA 0.384 56.894 56.400 0.183 0.000 0.832 202 E CB -0.279 29.597 29.700 0.293 0.000 0.756 202 E HN 0.385 nan 8.360 nan 0.000 0.491 203 V N -0.572 119.427 119.914 0.142 0.000 2.672 203 V HA -0.006 4.114 4.120 -0.000 0.000 0.242 203 V C 1.055 177.205 176.094 0.094 0.000 1.059 203 V CA 0.782 63.156 62.300 0.124 0.000 1.081 203 V CB 0.054 31.966 31.823 0.148 0.000 0.752 203 V HN 0.141 nan 8.190 nan 0.000 0.472 204 L N 0.105 121.381 121.223 0.090 0.000 3.017 204 L HA 0.363 4.703 4.340 -0.000 0.000 0.255 204 L C 1.845 178.748 176.870 0.055 0.000 1.247 204 L CA 0.402 55.287 54.840 0.075 0.000 1.038 204 L CB -0.361 41.757 42.059 0.097 0.000 1.380 204 L HN 0.123 nan 8.230 nan 0.000 0.548 205 R N 0.916 121.450 120.500 0.056 0.000 2.133 205 R HA -0.311 4.029 4.340 -0.000 0.000 0.245 205 R C 2.034 178.356 176.300 0.037 0.000 1.137 205 R CA 2.569 58.698 56.100 0.049 0.000 0.947 205 R CB -0.171 30.163 30.300 0.057 0.000 0.865 205 R HN 0.470 nan 8.270 nan 0.000 0.437 206 N N 0.026 118.745 118.700 0.033 0.000 2.036 206 N HA -0.215 4.525 4.740 -0.000 0.000 0.195 206 N C 1.454 176.976 175.510 0.021 0.000 1.037 206 N CA 2.318 55.383 53.050 0.024 0.000 0.855 206 N CB -0.103 38.396 38.487 0.020 0.000 1.033 206 N HN 0.415 nan 8.380 nan 0.000 0.423 207 E N -0.485 119.730 120.200 0.024 0.000 2.150 207 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 207 E C 2.004 178.612 176.600 0.014 0.000 0.985 207 E CA 0.950 57.362 56.400 0.020 0.000 0.814 207 E CB -0.050 29.668 29.700 0.029 0.000 0.752 207 E HN 0.483 nan 8.360 nan 0.000 0.466 208 I N 1.483 122.064 120.570 0.019 0.000 2.252 208 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 208 I C 2.523 178.643 176.117 0.006 0.000 1.102 208 I CA 1.090 62.397 61.300 0.010 0.000 1.385 208 I CB -0.385 37.624 38.000 0.015 0.000 1.064 208 I HN 0.123 nan 8.210 nan 0.000 0.414 209 R N 2.137 122.646 120.500 0.014 0.000 2.193 209 R HA -0.153 4.187 4.340 -0.000 0.000 0.229 209 R C 0.751 177.053 176.300 0.002 0.000 1.110 209 R CA 1.843 57.951 56.100 0.014 0.000 0.988 209 R CB -0.935 29.377 30.300 0.021 0.000 0.871 209 R HN 0.636 nan 8.270 nan 0.000 0.458 210 N N -0.046 118.652 118.700 -0.004 0.000 2.416 210 N HA 0.279 5.019 4.740 -0.000 0.000 0.267 210 N C -0.685 174.811 175.510 -0.023 0.000 1.294 210 N CA -0.428 52.614 53.050 -0.012 0.000 0.891 210 N CB 1.137 39.620 38.487 -0.008 0.000 1.238 210 N HN 0.148 nan 8.380 nan 0.000 0.508 211 A N 1.031 123.834 122.820 -0.028 0.000 2.306 211 A HA 0.414 4.734 4.320 -0.000 0.000 0.330 211 A C 0.901 178.446 177.584 -0.064 0.000 1.146 211 A CA -0.825 51.186 52.037 -0.043 0.000 0.827 211 A CB 1.561 20.538 19.000 -0.037 0.000 1.178 211 A HN 0.409 nan 8.150 nan 0.000 0.490 212 R N 0.778 121.226 120.500 -0.085 0.000 2.146 212 R HA 0.222 4.562 4.340 -0.000 0.000 0.206 212 R C -0.367 175.847 176.300 -0.143 0.000 1.049 212 R CA 0.415 56.449 56.100 -0.109 0.000 1.029 212 R CB -0.026 30.208 30.300 -0.111 0.000 0.949 212 R HN 0.524 nan 8.270 nan 0.000 0.471 213 L N 1.906 123.035 121.223 -0.156 0.000 2.319 213 L HA 0.455 4.795 4.340 -0.000 0.000 0.281 213 L C -1.498 175.281 176.870 -0.151 0.000 1.005 213 L CA -0.658 54.060 54.840 -0.205 0.000 0.828 213 L CB 1.992 43.861 42.059 -0.316 0.000 1.227 213 L HN -0.191 nan 8.230 nan 0.000 0.415 214 V N 4.808 124.650 119.914 -0.120 0.000 2.459 214 V HA 0.742 4.862 4.120 -0.000 0.000 0.295 214 V C 0.245 176.323 176.094 -0.026 0.000 1.029 214 V CA -0.476 61.787 62.300 -0.061 0.000 0.874 214 V CB 1.612 33.405 31.823 -0.050 0.000 0.985 214 V HN 0.919 nan 8.190 nan 0.000 0.438 215 A N 4.078 126.915 122.820 0.028 0.000 2.366 215 A HA 0.474 4.794 4.320 -0.000 0.000 0.322 215 A C 0.123 177.714 177.584 0.013 0.000 1.397 215 A CA -0.355 51.742 52.037 0.101 0.000 0.984 215 A CB -0.390 18.745 19.000 0.225 0.000 1.149 215 A HN 0.823 nan 8.150 nan 0.000 0.540 216 N N 3.121 121.823 118.700 0.004 0.000 2.468 216 N HA 0.288 5.028 4.740 -0.000 0.000 0.265 216 N C -2.612 172.835 175.510 -0.105 0.000 1.199 216 N CA -0.960 52.048 53.050 -0.069 0.000 0.928 216 N CB 0.538 39.025 38.487 0.001 0.000 1.059 216 N HN 0.313 nan 8.380 nan 0.000 0.467 217 P HA 0.116 nan 4.420 nan 0.000 0.270 217 P C 0.027 177.278 177.300 -0.082 0.000 1.223 217 P CA -0.262 62.684 63.100 -0.257 0.000 0.785 217 P CB 0.488 31.917 31.700 -0.452 0.000 0.923 218 G N -0.113 108.639 108.800 -0.080 0.000 2.616 218 G HA2 0.211 4.171 3.960 -0.000 0.000 0.268 218 G HA3 0.211 4.171 3.960 -0.000 0.000 0.268 218 G C 1.241 176.099 174.900 -0.070 0.000 1.213 218 G CA -0.401 44.622 45.100 -0.128 0.000 0.926 218 G HN 0.691 nan 8.290 nan 0.000 0.523 219 C N -1.484 117.831 119.300 0.027 0.000 2.496 219 C HA -0.018 4.442 4.460 -0.000 0.000 0.281 219 C C 2.250 177.250 174.990 0.017 0.000 1.250 219 C CA 0.813 59.825 59.018 -0.011 0.000 1.717 219 C CB -1.572 26.128 27.740 -0.068 0.000 2.082 219 C HN 0.616 nan 8.230 nan 0.000 0.472 220 Y N 2.793 123.179 120.300 0.144 0.000 2.114 220 Y HA -0.054 4.496 4.550 0.000 0.000 0.282 220 Y C 0.174 176.067 175.900 -0.011 0.000 1.165 220 Y CA 2.358 60.530 58.100 0.120 0.000 1.148 220 Y CB -2.282 36.308 38.460 0.217 0.000 0.972 220 Y HN 0.269 nan 8.280 nan 0.000 0.504 221 P HA -0.146 nan 4.420 nan 0.000 0.216 221 P C 1.615 178.946 177.300 0.051 0.000 1.150 221 P CA 2.473 65.570 63.100 -0.006 0.000 0.837 221 P CB -0.107 31.561 31.700 -0.054 0.000 0.786 222 T N -0.541 114.034 114.554 0.035 0.000 2.674 222 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 222 T C 2.000 176.725 174.700 0.042 0.000 1.039 222 T CA 2.100 64.215 62.100 0.025 0.000 1.150 222 T CB -1.019 67.838 68.868 -0.017 0.000 0.864 222 T HN 0.257 nan 8.240 nan 0.000 0.427 223 S N 0.973 116.708 115.700 0.057 0.000 2.419 223 S HA -0.011 4.459 4.470 -0.000 0.000 0.233 223 S C 2.010 176.658 174.600 0.081 0.000 1.016 223 S CA 0.850 59.092 58.200 0.070 0.000 0.974 223 S CB -0.654 62.605 63.200 0.099 0.000 0.786 223 S HN 0.517 nan 8.310 nan 0.000 0.492 224 I N 0.977 121.599 120.570 0.087 0.000 2.494 224 I HA -0.024 4.146 4.170 -0.000 0.000 0.250 224 I C 2.860 179.017 176.117 0.067 0.000 1.112 224 I CA 0.725 62.069 61.300 0.074 0.000 1.438 224 I CB -0.264 37.768 38.000 0.054 0.000 1.111 224 I HN 0.280 nan 8.210 nan 0.000 0.431 225 Q N 0.663 120.506 119.800 0.072 0.000 2.172 225 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 225 Q C 2.346 178.418 176.000 0.120 0.000 0.964 225 Q CA 1.089 56.946 55.803 0.091 0.000 0.855 225 Q CB 0.023 28.831 28.738 0.117 0.000 0.918 225 Q HN 0.497 nan 8.270 nan 0.000 0.444 226 L N 1.120 122.407 121.223 0.106 0.000 2.013 226 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 226 L C -0.508 176.484 176.870 0.202 0.000 1.073 226 L CA 1.440 56.356 54.840 0.126 0.000 0.753 226 L CB -1.514 40.529 42.059 -0.027 0.000 0.890 226 L HN 0.263 nan 8.230 nan 0.000 0.432 227 P HA -0.096 nan 4.420 nan 0.000 0.217 227 P C 1.939 179.327 177.300 0.147 0.000 1.153 227 P CA 1.258 64.454 63.100 0.160 0.000 0.843 227 P CB 0.151 31.909 31.700 0.096 0.000 0.794 228 L N -0.482 120.806 121.223 0.108 0.000 2.093 228 L HA -0.093 4.246 4.340 -0.000 0.000 0.208 228 L C 2.773 179.693 176.870 0.085 0.000 1.085 228 L CA 1.129 56.020 54.840 0.085 0.000 0.755 228 L CB -1.199 40.897 42.059 0.063 0.000 0.904 228 L HN -0.179 nan 8.230 nan 0.000 0.435 229 V N 0.578 120.550 119.914 0.098 0.000 2.255 229 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 229 V C -0.055 176.091 176.094 0.086 0.000 1.051 229 V CA 2.275 64.626 62.300 0.086 0.000 1.018 229 V CB -1.626 30.257 31.823 0.101 0.000 0.641 229 V HN 0.337 nan 8.190 nan 0.000 0.445 230 P HA -0.123 nan 4.420 nan 0.000 0.215 230 P C 1.921 179.302 177.300 0.136 0.000 1.153 230 P CA 1.408 64.593 63.100 0.142 0.000 0.853 230 P CB -0.065 31.700 31.700 0.108 0.000 0.788 231 L N -1.502 119.788 121.223 0.112 0.000 2.093 231 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 231 L C 2.395 179.245 176.870 -0.035 0.000 1.085 231 L CA 1.275 56.125 54.840 0.018 0.000 0.755 231 L CB -0.654 41.439 42.059 0.057 0.000 0.904 231 L HN -0.048 nan 8.230 nan 0.000 0.435 232 I N -0.334 120.239 120.570 0.004 0.000 2.286 232 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 232 I C 2.418 178.523 176.117 -0.020 0.000 1.104 232 I CA 1.151 62.449 61.300 -0.004 0.000 1.397 232 I CB -0.179 37.830 38.000 0.014 0.000 1.072 232 I HN 0.193 nan 8.210 nan 0.000 0.417 233 K N 1.028 121.422 120.400 -0.009 0.000 2.147 233 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 233 K C 1.956 178.527 176.600 -0.049 0.000 1.049 233 K CA 1.473 57.753 56.287 -0.011 0.000 0.936 233 K CB -0.177 32.334 32.500 0.018 0.000 0.722 233 K HN 0.281 nan 8.250 nan 0.000 0.446 234 A N 0.984 123.730 122.820 -0.122 0.000 2.238 234 A HA -0.008 4.312 4.320 -0.000 0.000 0.208 234 A C 0.121 177.610 177.584 -0.157 0.000 1.177 234 A CA 0.275 52.181 52.037 -0.217 0.000 0.804 234 A CB -0.157 18.470 19.000 -0.622 0.000 0.823 234 A HN 0.280 nan 8.150 nan 0.000 0.482 235 K N -1.474 118.865 120.400 -0.102 0.000 3.117 235 K HA -0.173 4.147 4.320 -0.000 0.000 0.269 235 K C 0.312 176.872 176.600 -0.067 0.000 1.098 235 K CA 0.818 57.067 56.287 -0.064 0.000 0.785 235 K CB -2.112 30.361 32.500 -0.046 0.000 1.242 235 K HN 0.541 nan 8.250 nan 0.000 0.491 236 L N 0.130 121.300 121.223 -0.089 0.000 2.477 236 L HA 0.209 4.549 4.340 -0.000 0.000 0.220 236 L C 1.221 178.078 176.870 -0.021 0.000 1.106 236 L CA 0.343 55.144 54.840 -0.065 0.000 0.851 236 L CB -0.008 41.992 42.059 -0.099 0.000 0.994 236 L HN 0.319 nan 8.230 nan 0.000 0.462 237 I N -3.786 116.777 120.570 -0.012 0.000 2.785 237 I HA 0.427 4.597 4.170 -0.000 0.000 0.302 237 I C -0.611 175.514 176.117 0.012 0.000 1.069 237 I CA -1.016 60.291 61.300 0.012 0.000 1.045 237 I CB 1.920 39.937 38.000 0.027 0.000 1.236 237 I HN -0.171 nan 8.210 nan 0.000 0.429 238 K N 2.352 122.765 120.400 0.021 0.000 2.107 238 K HA 0.329 4.649 4.320 -0.000 0.000 0.251 238 K C 0.689 177.305 176.600 0.026 0.000 1.012 238 K CA -0.507 55.792 56.287 0.021 0.000 0.920 238 K CB 1.804 34.318 32.500 0.024 0.000 1.033 238 K HN 0.662 nan 8.250 nan 0.000 0.478 239 V N -1.840 118.088 119.914 0.023 0.000 3.514 239 V HA 0.053 4.173 4.120 -0.000 0.000 0.301 239 V C 0.158 176.271 176.094 0.031 0.000 1.346 239 V CA -0.309 62.006 62.300 0.026 0.000 1.156 239 V CB -0.436 31.399 31.823 0.019 0.000 1.029 239 V HN 0.604 nan 8.190 nan 0.000 0.428 240 S N 0.109 115.828 115.700 0.033 0.000 2.525 240 S HA 0.535 5.005 4.470 -0.000 0.000 0.290 240 S C 0.188 174.815 174.600 0.045 0.000 1.152 240 S CA -0.004 58.217 58.200 0.035 0.000 1.072 240 S CB 0.720 63.937 63.200 0.029 0.000 1.027 240 S HN 0.559 nan 8.310 nan 0.000 0.500 241 N N 0.006 118.734 118.700 0.047 0.000 2.727 241 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 241 N C -0.952 174.606 175.510 0.079 0.000 1.048 241 N CA 0.689 53.773 53.050 0.057 0.000 0.714 241 N CB -1.487 37.029 38.487 0.049 0.000 0.959 241 N HN 0.751 nan 8.380 nan 0.000 0.544 242 I N 1.280 121.898 120.570 0.080 0.000 2.406 242 I HA 0.071 4.241 4.170 -0.000 0.000 0.293 242 I C 0.324 176.516 176.117 0.125 0.000 1.101 242 I CA -0.144 61.215 61.300 0.099 0.000 1.334 242 I CB 0.174 38.220 38.000 0.078 0.000 1.421 242 I HN 0.116 nan 8.210 nan 0.000 0.513 243 I N 8.113 128.789 120.570 0.176 0.000 2.331 243 I HA 0.405 4.575 4.170 -0.000 0.000 0.292 243 I C 0.125 176.411 176.117 0.282 0.000 0.998 243 I CA -0.397 61.032 61.300 0.214 0.000 1.267 243 I CB 1.071 39.203 38.000 0.221 0.000 1.386 243 I HN 0.392 nan 8.210 nan 0.000 0.476 244 I N 5.194 125.887 120.570 0.205 0.000 2.447 244 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 244 I C -0.280 175.877 176.117 0.065 0.000 1.023 244 I CA -0.478 60.919 61.300 0.162 0.000 1.083 244 I CB 2.466 40.604 38.000 0.231 0.000 1.245 244 I HN 0.494 nan 8.210 nan 0.000 0.434 245 D N 6.556 127.004 120.400 0.079 0.000 2.414 245 D HA 0.550 5.190 4.640 -0.000 0.000 0.232 245 D C -0.927 175.336 176.300 -0.061 0.000 1.070 245 D CA -0.142 53.850 54.000 -0.014 0.000 0.839 245 D CB 1.928 42.812 40.800 0.140 0.000 1.079 245 D HN 0.634 nan 8.370 nan 0.000 0.521 246 A N 3.492 126.186 122.820 -0.211 0.000 2.324 246 A HA 0.671 4.991 4.320 -0.000 0.000 0.330 246 A C -0.731 176.868 177.584 0.025 0.000 1.165 246 A CA -0.693 51.318 52.037 -0.044 0.000 0.813 246 A CB 1.168 20.146 19.000 -0.037 0.000 1.197 246 A HN 0.439 nan 8.150 nan 0.000 0.484 247 K N 0.568 121.073 120.400 0.175 0.000 2.378 247 K HA 0.743 5.063 4.320 -0.000 0.000 0.252 247 K C -0.661 176.054 176.600 0.192 0.000 0.931 247 K CA -0.345 56.031 56.287 0.149 0.000 0.794 247 K CB 2.023 34.561 32.500 0.063 0.000 1.181 247 K HN 0.608 nan 8.250 nan 0.000 0.425 248 S N 0.510 116.313 115.700 0.172 0.000 2.546 248 S HA 0.733 5.203 4.470 -0.000 0.000 0.274 248 S C -0.475 174.149 174.600 0.040 0.000 1.121 248 S CA -0.674 57.568 58.200 0.071 0.000 0.887 248 S CB 1.087 64.288 63.200 0.001 0.000 1.094 248 S HN 0.722 nan 8.310 nan 0.000 0.474 249 G N 1.014 109.811 108.800 -0.005 0.000 2.594 249 G HA2 0.335 4.295 3.960 -0.000 0.000 0.243 249 G HA3 0.335 4.295 3.960 -0.000 0.000 0.243 249 G C 0.991 175.886 174.900 -0.010 0.000 1.229 249 G CA -0.105 44.986 45.100 -0.015 0.000 0.843 249 G HN 1.000 nan 8.290 nan 0.000 0.578 250 V N 1.225 121.130 119.914 -0.015 0.000 3.305 250 V HA -0.098 4.022 4.120 -0.000 0.000 0.269 250 V C 2.644 178.753 176.094 0.026 0.000 1.157 250 V CA 2.167 64.465 62.300 -0.004 0.000 1.157 250 V CB -0.549 31.271 31.823 -0.006 0.000 0.772 250 V HN 0.874 nan 8.190 nan 0.000 0.498 251 S N -0.254 115.443 115.700 -0.004 0.000 2.507 251 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 251 S C 1.907 176.568 174.600 0.102 0.000 0.988 251 S CA 0.992 59.189 58.200 -0.004 0.000 0.944 251 S CB -0.495 62.603 63.200 -0.170 0.000 0.762 251 S HN 0.653 nan 8.310 nan 0.000 0.526 252 G N 0.663 109.502 108.800 0.064 0.000 2.598 252 G HA2 0.285 4.244 3.960 -0.000 0.000 0.215 252 G HA3 0.285 4.244 3.960 -0.000 0.000 0.215 252 G C 1.315 176.286 174.900 0.119 0.000 1.131 252 G CA 0.333 45.486 45.100 0.088 0.000 0.785 252 G HN 0.730 nan 8.290 nan 0.000 0.539 253 A N -0.409 122.472 122.820 0.103 0.000 2.169 253 A HA 0.546 4.866 4.320 -0.000 0.000 0.212 253 A C 1.522 179.168 177.584 0.103 0.000 1.153 253 A CA 1.275 53.359 52.037 0.078 0.000 0.756 253 A CB -0.405 18.610 19.000 0.025 0.000 0.813 253 A HN 1.690 nan 8.150 nan 0.000 0.471 254 G N -1.169 107.742 108.800 0.185 0.000 2.757 254 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.638 254 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.638 254 G C 0.307 175.207 174.900 0.001 0.000 1.344 254 G CA -0.130 45.036 45.100 0.111 0.000 0.855 254 G HN 0.196 nan 8.290 nan 0.000 0.537 255 R N 0.466 120.767 120.500 -0.330 0.000 2.297 255 R HA 0.111 4.451 4.340 -0.000 0.000 0.197 255 R C 1.855 178.073 176.300 -0.136 0.000 0.943 255 R CA 0.730 56.617 56.100 -0.354 0.000 1.038 255 R CB -0.250 29.718 30.300 -0.554 0.000 0.957 255 R HN 0.966 nan 8.270 nan 0.000 0.484 256 G N 0.854 109.603 108.800 -0.085 0.000 2.391 256 G HA2 0.143 4.103 3.960 -0.000 0.000 0.234 256 G HA3 0.143 4.103 3.960 -0.000 0.000 0.234 256 G C -0.214 174.671 174.900 -0.026 0.000 1.284 256 G CA -0.124 44.947 45.100 -0.050 0.000 0.873 256 G HN 0.266 nan 8.290 nan 0.000 0.549 257 A N 2.706 125.511 122.820 -0.026 0.000 2.457 257 A HA 0.500 4.820 4.320 -0.000 0.000 0.298 257 A C 0.560 178.141 177.584 -0.006 0.000 1.288 257 A CA -0.024 52.005 52.037 -0.013 0.000 0.956 257 A CB 0.006 18.994 19.000 -0.019 0.000 1.135 257 A HN 0.633 nan 8.150 nan 0.000 0.535 258 K N 2.125 122.527 120.400 0.003 0.000 2.482 258 K HA 0.213 4.533 4.320 -0.000 0.000 0.251 258 K C 0.526 177.130 176.600 0.007 0.000 0.936 258 K CA -0.628 55.661 56.287 0.002 0.000 0.791 258 K CB 2.387 34.888 32.500 0.001 0.000 1.213 258 K HN 0.737 nan 8.250 nan 0.000 0.428 259 E N 2.556 122.757 120.200 0.002 0.000 2.085 259 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 259 E C 1.515 178.116 176.600 0.001 0.000 0.994 259 E CA 1.840 58.241 56.400 0.002 0.000 0.801 259 E CB 0.053 29.750 29.700 -0.005 0.000 0.743 259 E HN 0.748 nan 8.360 nan 0.000 0.453 260 A N 0.939 123.756 122.820 -0.005 0.000 1.978 260 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 260 A C 1.518 179.108 177.584 0.011 0.000 1.170 260 A CA 1.806 53.838 52.037 -0.008 0.000 0.636 260 A CB -0.609 18.384 19.000 -0.011 0.000 0.810 260 A HN 0.439 nan 8.150 nan 0.000 0.448 261 N N -0.791 117.919 118.700 0.018 0.000 2.251 261 N HA 0.332 5.072 4.740 -0.000 0.000 0.217 261 N C -0.477 175.059 175.510 0.044 0.000 1.124 261 N CA -0.377 52.691 53.050 0.030 0.000 0.843 261 N CB 0.260 38.768 38.487 0.036 0.000 1.024 261 N HN 0.372 nan 8.380 nan 0.000 0.501 262 L N 0.679 121.926 121.223 0.041 0.000 2.467 262 L HA -0.029 4.311 4.340 -0.000 0.000 0.270 262 L C 1.526 178.443 176.870 0.079 0.000 1.205 262 L CA -0.082 54.798 54.840 0.068 0.000 0.828 262 L CB 0.331 42.423 42.059 0.056 0.000 1.101 262 L HN 0.198 nan 8.230 nan 0.000 0.479 263 Y N 1.597 121.908 120.300 0.019 0.000 2.114 263 Y HA -0.353 4.197 4.550 0.000 0.000 0.282 263 Y C 2.572 178.481 175.900 0.016 0.000 1.165 263 Y CA 2.419 60.529 58.100 0.017 0.000 1.148 263 Y CB -0.159 38.308 38.460 0.012 0.000 0.972 263 Y HN 0.843 nan 8.280 nan 0.000 0.504 264 T N -2.257 112.393 114.554 0.159 0.000 2.833 264 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 264 T C 1.440 176.131 174.700 -0.014 0.000 1.054 264 T CA 1.535 63.684 62.100 0.082 0.000 1.135 264 T CB -0.246 68.683 68.868 0.101 0.000 0.869 264 T HN 0.380 nan 8.240 nan 0.000 0.466 265 E N 0.257 120.446 120.200 -0.019 0.000 2.442 265 E HA 0.186 4.536 4.350 -0.000 0.000 0.195 265 E C 1.735 178.313 176.600 -0.036 0.000 1.030 265 E CA 0.172 56.555 56.400 -0.028 0.000 0.869 265 E CB 0.196 29.886 29.700 -0.016 0.000 0.857 265 E HN 0.501 nan 8.360 nan 0.000 0.505 266 I N 0.403 120.923 120.570 -0.085 0.000 3.194 266 I HA 0.126 4.296 4.170 -0.000 0.000 0.271 266 I C 1.165 177.177 176.117 -0.175 0.000 1.150 266 I CA 0.082 61.331 61.300 -0.085 0.000 1.440 266 I CB -1.026 36.924 38.000 -0.084 0.000 1.276 266 I HN -0.214 nan 8.210 nan 0.000 0.457 267 A N 1.711 124.295 122.820 -0.393 0.000 2.561 267 A HA -0.007 4.313 4.320 -0.000 0.000 0.234 267 A C 0.712 178.179 177.584 -0.195 0.000 1.055 267 A CA 0.292 52.061 52.037 -0.446 0.000 0.756 267 A CB -0.169 18.257 19.000 -0.956 0.000 0.986 267 A HN 0.492 nan 8.150 nan 0.000 0.505 268 E N -0.944 119.184 120.200 -0.119 0.000 2.320 268 E HA -0.188 4.162 4.350 -0.000 0.000 0.234 268 E C 0.237 176.820 176.600 -0.029 0.000 1.183 268 E CA 1.610 57.981 56.400 -0.049 0.000 0.713 268 E CB -2.021 27.663 29.700 -0.027 0.000 1.226 268 E HN 1.856 nan 8.360 nan 0.000 0.382 269 G N -0.593 108.193 108.800 -0.022 0.000 2.387 269 G HA2 0.567 4.527 3.960 -0.000 0.000 0.294 269 G HA3 0.567 4.527 3.960 -0.000 0.000 0.294 269 G C -0.627 174.295 174.900 0.035 0.000 1.509 269 G CA -0.373 44.734 45.100 0.012 0.000 0.806 269 G HN 0.302 nan 8.290 nan 0.000 0.546 270 I N -1.936 118.674 120.570 0.067 0.000 3.279 270 I HA 0.927 5.097 4.170 -0.000 0.000 0.315 270 I C -0.936 175.276 176.117 0.159 0.000 1.187 270 I CA -1.279 60.056 61.300 0.058 0.000 0.953 270 I CB 2.891 40.894 38.000 0.005 0.000 1.279 270 I HN 0.972 nan 8.210 nan 0.000 0.465 271 H N 1.098 120.195 119.070 0.045 0.000 3.081 271 H HA 0.655 5.211 4.556 -0.000 0.000 0.322 271 H C -1.828 173.563 175.328 0.106 0.000 1.266 271 H CA -0.791 55.291 56.048 0.056 0.000 1.279 271 H CB 0.895 30.686 29.762 0.049 0.000 1.954 271 H HN 1.049 nan 8.280 nan 0.000 0.530 272 A N 1.798 124.705 122.820 0.144 0.000 2.287 272 A HA 0.638 4.957 4.320 -0.000 0.000 0.273 272 A C -0.960 176.768 177.584 0.240 0.000 1.091 272 A CA 0.101 52.177 52.037 0.066 0.000 0.817 272 A CB 0.155 19.146 19.000 -0.015 0.000 1.069 272 A HN 0.776 nan 8.150 nan 0.000 0.492 273 Y N -3.531 116.782 120.300 0.021 0.000 2.744 273 Y HA 0.572 5.122 4.550 -0.000 0.000 0.330 273 Y C 0.659 176.595 175.900 0.060 0.000 1.263 273 Y CA -0.932 57.216 58.100 0.081 0.000 1.065 273 Y CB 0.390 38.926 38.460 0.128 0.000 1.306 273 Y HN 1.790 nan 8.280 nan 0.000 0.459 274 G N 1.236 110.162 108.800 0.210 0.000 2.379 274 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.297 274 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.297 274 G C -0.093 174.819 174.900 0.020 0.000 1.004 274 G CA 0.484 45.664 45.100 0.133 0.000 0.921 274 G HN 0.753 nan 8.290 nan 0.000 0.511 275 I N -0.714 119.856 120.570 -0.000 0.000 2.752 275 I HA 0.039 4.209 4.170 -0.000 0.000 0.289 275 I C 1.583 177.718 176.117 0.030 0.000 1.197 275 I CA 1.310 62.597 61.300 -0.022 0.000 1.432 275 I CB 0.866 38.859 38.000 -0.012 0.000 1.359 275 I HN 0.534 nan 8.210 nan 0.000 0.571 276 K N 3.874 124.296 120.400 0.036 0.000 4.378 276 K HA -0.201 4.119 4.320 -0.000 0.000 0.416 276 K C 0.715 177.415 176.600 0.167 0.000 0.469 276 K CA 1.403 57.740 56.287 0.083 0.000 1.807 276 K CB -1.330 31.203 32.500 0.056 0.000 0.965 276 K HN 0.942 nan 8.250 nan 0.000 0.530 277 G N 1.235 110.147 108.800 0.187 0.000 4.713 277 G HA2 0.230 4.190 3.960 -0.000 0.000 0.318 277 G HA3 0.230 4.190 3.960 -0.000 0.000 0.318 277 G C -1.028 174.106 174.900 0.389 0.000 1.435 277 G CA -0.319 44.976 45.100 0.324 0.000 0.965 277 G HN 0.376 nan 8.290 nan 0.000 0.542 278 H N 1.429 120.661 119.070 0.270 0.000 2.652 278 H HA 0.114 4.670 4.556 -0.000 0.000 0.349 278 H C 1.732 177.162 175.328 0.169 0.000 1.099 278 H CA -0.247 55.925 56.048 0.208 0.000 1.417 278 H CB 1.282 31.181 29.762 0.229 0.000 1.457 278 H HN 0.523 nan 8.280 nan 0.000 0.568 279 R N 3.108 123.502 120.500 -0.175 0.000 2.303 279 R HA -0.107 4.233 4.340 -0.000 0.000 0.225 279 R C 0.584 176.936 176.300 0.086 0.000 1.114 279 R CA 1.490 57.546 56.100 -0.073 0.000 1.007 279 R CB -0.379 29.781 30.300 -0.233 0.000 0.861 279 R HN 0.697 nan 8.270 nan 0.000 0.471 280 H N -0.185 119.053 119.070 0.279 0.000 2.548 280 H HA 0.108 4.664 4.556 -0.000 0.000 0.265 280 H C 1.777 176.960 175.328 -0.241 0.000 0.969 280 H CA 0.060 56.152 56.048 0.072 0.000 1.155 280 H CB 0.614 30.459 29.762 0.139 0.000 1.394 280 H HN -0.013 nan 8.280 nan 0.000 0.570 281 V N 1.676 121.483 119.914 -0.177 0.000 2.255 281 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 281 V C -0.594 175.285 176.094 -0.359 0.000 1.051 281 V CA 1.922 64.048 62.300 -0.290 0.000 1.018 281 V CB -1.149 30.578 31.823 -0.160 0.000 0.641 281 V HN 0.362 nan 8.190 nan 0.000 0.445 282 P HA -0.181 nan 4.420 nan 0.000 0.216 282 P C 1.675 178.803 177.300 -0.287 0.000 1.150 282 P CA 1.579 64.379 63.100 -0.499 0.000 0.837 282 P CB 0.047 31.236 31.700 -0.851 0.000 0.786 283 E N -0.349 119.705 120.200 -0.244 0.000 2.051 283 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 283 E C 1.911 178.390 176.600 -0.201 0.000 0.991 283 E CA 1.014 57.303 56.400 -0.186 0.000 0.799 283 E CB -0.456 29.183 29.700 -0.102 0.000 0.748 283 E HN 0.137 nan 8.360 nan 0.000 0.449 284 I N 1.061 121.514 120.570 -0.195 0.000 2.179 284 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 284 I C 2.298 178.334 176.117 -0.136 0.000 1.088 284 I CA 1.329 62.528 61.300 -0.168 0.000 1.357 284 I CB -0.311 37.547 38.000 -0.236 0.000 1.051 284 I HN 0.137 nan 8.210 nan 0.000 0.409 285 E N 0.425 120.542 120.200 -0.139 0.000 2.153 285 E HA -0.304 4.045 4.350 -0.000 0.000 0.194 285 E C 2.102 178.646 176.600 -0.094 0.000 0.988 285 E CA 1.076 57.421 56.400 -0.092 0.000 0.811 285 E CB -0.205 29.450 29.700 -0.074 0.000 0.746 285 E HN 0.537 nan 8.360 nan 0.000 0.466 286 Q N 0.715 120.435 119.800 -0.133 0.000 2.061 286 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 286 Q C 2.213 178.129 176.000 -0.140 0.000 0.984 286 Q CA 1.974 57.694 55.803 -0.139 0.000 0.846 286 Q CB -0.309 28.312 28.738 -0.194 0.000 0.902 286 Q HN 0.274 nan 8.270 nan 0.000 0.421 287 G N 0.887 109.584 108.800 -0.172 0.000 2.402 287 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 287 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 287 G C 1.415 176.284 174.900 -0.050 0.000 1.162 287 G CA 0.737 45.764 45.100 -0.122 0.000 0.777 287 G HN 0.324 nan 8.290 nan 0.000 0.539 288 L N 0.764 121.961 121.223 -0.043 0.000 2.093 288 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 288 L C 3.090 179.951 176.870 -0.015 0.000 1.085 288 L CA 1.049 55.880 54.840 -0.016 0.000 0.755 288 L CB -0.428 41.623 42.059 -0.012 0.000 0.904 288 L HN 0.157 nan 8.230 nan 0.000 0.435 289 S N -0.584 115.100 115.700 -0.026 0.000 2.402 289 S HA -0.168 4.302 4.470 -0.000 0.000 0.229 289 S C 1.928 176.518 174.600 -0.016 0.000 1.021 289 S CA 1.005 59.194 58.200 -0.018 0.000 0.974 289 S CB -0.153 63.034 63.200 -0.021 0.000 0.800 289 S HN 0.397 nan 8.310 nan 0.000 0.484 290 E N 1.777 121.962 120.200 -0.025 0.000 2.106 290 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 290 E C 2.076 178.672 176.600 -0.006 0.000 0.984 290 E CA 1.114 57.504 56.400 -0.018 0.000 0.806 290 E CB -0.225 29.459 29.700 -0.027 0.000 0.750 290 E HN 0.436 nan 8.360 nan 0.000 0.458 291 A N 0.999 123.818 122.820 -0.002 0.000 1.929 291 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 291 A C 2.328 179.914 177.584 0.003 0.000 1.176 291 A CA 1.739 53.780 52.037 0.007 0.000 0.628 291 A CB -0.452 18.557 19.000 0.016 0.000 0.816 291 A HN 0.328 nan 8.150 nan 0.000 0.444 292 A N -1.460 121.360 122.820 0.001 0.000 2.072 292 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 292 A C 0.837 178.421 177.584 -0.000 0.000 1.156 292 A CA 1.017 53.054 52.037 0.000 0.000 0.701 292 A CB -0.310 18.692 19.000 0.003 0.000 0.816 292 A HN 0.556 nan 8.150 nan 0.000 0.458 293 E N -0.513 119.687 120.200 -0.001 0.000 2.694 293 E HA -0.166 4.184 4.350 -0.000 0.000 0.272 293 E C -0.166 176.434 176.600 0.001 0.000 1.040 293 E CA 0.515 56.915 56.400 -0.001 0.000 0.809 293 E CB -2.270 27.430 29.700 -0.000 0.000 1.389 293 E HN 0.893 nan 8.360 nan 0.000 0.413 294 S N -0.841 114.861 115.700 0.002 0.000 2.567 294 S HA 0.486 4.956 4.470 -0.000 0.000 0.270 294 S C -0.847 173.756 174.600 0.006 0.000 1.152 294 S CA -1.315 56.889 58.200 0.005 0.000 0.835 294 S CB 2.096 65.300 63.200 0.007 0.000 1.115 294 S HN 0.086 nan 8.310 nan 0.000 0.459 295 K N 1.715 122.121 120.400 0.010 0.000 2.402 295 K HA 0.408 4.728 4.320 -0.000 0.000 0.285 295 K C -0.950 175.658 176.600 0.015 0.000 1.054 295 K CA -0.074 56.221 56.287 0.013 0.000 1.001 295 K CB -0.231 32.281 32.500 0.020 0.000 0.946 295 K HN 0.576 nan 8.250 nan 0.000 0.473 296 V N 5.007 124.927 119.914 0.010 0.000 2.407 296 V HA 0.307 4.427 4.120 -0.000 0.000 0.278 296 V C -0.166 175.940 176.094 0.020 0.000 1.037 296 V CA -0.606 61.702 62.300 0.014 0.000 0.900 296 V CB 1.677 33.504 31.823 0.007 0.000 0.983 296 V HN 0.831 nan 8.190 nan 0.000 0.459 297 T N 6.790 121.362 114.554 0.031 0.000 2.809 297 T HA 0.565 4.915 4.350 -0.000 0.000 0.296 297 T C -0.069 174.661 174.700 0.049 0.000 1.015 297 T CA -0.147 61.979 62.100 0.043 0.000 0.954 297 T CB 0.533 69.431 68.868 0.050 0.000 0.950 297 T HN 0.620 nan 8.240 nan 0.000 0.450 298 I N -0.012 120.590 120.570 0.053 0.000 3.062 298 I HA 0.837 5.007 4.170 -0.000 0.000 0.316 298 I C 0.027 176.203 176.117 0.098 0.000 1.041 298 I CA -0.853 60.490 61.300 0.071 0.000 1.069 298 I CB 1.796 39.835 38.000 0.066 0.000 1.300 298 I HN 0.456 nan 8.210 nan 0.000 0.518 299 S N 2.573 118.341 115.700 0.115 0.000 2.566 299 S HA 0.561 5.031 4.470 -0.000 0.000 0.324 299 S C -1.189 173.511 174.600 0.167 0.000 1.081 299 S CA -0.473 57.796 58.200 0.115 0.000 1.105 299 S CB 0.244 63.492 63.200 0.081 0.000 0.981 299 S HN 0.490 nan 8.310 nan 0.000 0.464 300 F N 4.361 124.295 119.950 -0.026 0.000 2.499 300 F HA 0.586 5.113 4.527 -0.000 0.000 0.333 300 F C -0.579 175.141 175.800 -0.134 0.000 1.138 300 F CA -0.254 57.694 58.000 -0.087 0.000 0.945 300 F CB 1.898 40.831 39.000 -0.112 0.000 1.181 300 F HN 0.423 nan 8.300 nan 0.000 0.435 301 T N 8.185 122.267 114.554 -0.787 0.000 2.892 301 T HA 0.382 4.732 4.350 -0.000 0.000 0.311 301 T C -2.879 171.231 174.700 -0.982 0.000 1.033 301 T CA -1.203 60.467 62.100 -0.717 0.000 0.991 301 T CB 1.543 70.211 68.868 -0.333 0.000 0.981 301 T HN 0.333 nan 8.240 nan 0.000 0.457 302 P HA 0.378 nan 4.420 nan 0.000 0.281 302 P C -1.032 175.884 177.300 -0.640 0.000 1.249 302 P CA -0.796 61.647 63.100 -1.097 0.000 0.810 302 P CB 1.159 31.977 31.700 -1.470 0.000 1.008 303 N N 1.471 120.036 118.700 -0.225 0.000 2.310 303 N HA 0.246 4.986 4.740 -0.000 0.000 0.292 303 N C -1.104 174.501 175.510 0.159 0.000 1.049 303 N CA -0.554 52.486 53.050 -0.018 0.000 0.849 303 N CB 1.882 40.337 38.487 -0.052 0.000 1.532 303 N HN 0.273 nan 8.380 nan 0.000 0.479 304 L N 3.805 125.067 121.223 0.066 0.000 2.278 304 L HA 0.397 4.737 4.340 -0.000 0.000 0.287 304 L C -0.499 176.294 176.870 -0.128 0.000 1.072 304 L CA -0.235 54.558 54.840 -0.079 0.000 0.819 304 L CB 0.080 41.903 42.059 -0.394 0.000 1.176 304 L HN 0.407 nan 8.230 nan 0.000 0.435 305 I N 3.894 124.441 120.570 -0.037 0.000 2.488 305 I HA 0.167 4.337 4.170 -0.000 0.000 0.299 305 I C 0.473 176.567 176.117 -0.038 0.000 0.984 305 I CA -0.771 60.510 61.300 -0.033 0.000 1.250 305 I CB 1.211 39.206 38.000 -0.009 0.000 1.389 305 I HN 0.673 nan 8.210 nan 0.000 0.488 306 C N 5.859 125.135 119.300 -0.040 0.000 3.183 306 C HA 0.554 5.014 4.460 -0.000 0.000 0.545 306 C C 0.211 175.176 174.990 -0.043 0.000 1.044 306 C CA -0.743 58.240 59.018 -0.059 0.000 1.117 306 C CB -2.359 25.336 27.740 -0.075 0.000 1.393 306 C HN 0.740 nan 8.230 nan 0.000 0.611 307 M N -0.756 118.825 119.600 -0.032 0.000 2.534 307 M HA 0.472 4.952 4.480 -0.000 0.000 0.280 307 M C -0.323 175.962 176.300 -0.025 0.000 1.217 307 M CA -0.640 54.649 55.300 -0.018 0.000 0.893 307 M CB 1.481 34.073 32.600 -0.012 0.000 1.730 307 M HN 0.051 nan 8.290 nan 0.000 0.483 308 K N 0.931 121.313 120.400 -0.029 0.000 2.005 308 K HA 0.194 4.514 4.320 -0.000 0.000 0.206 308 K C 0.420 176.977 176.600 -0.073 0.000 1.044 308 K CA 1.163 57.415 56.287 -0.059 0.000 0.942 308 K CB 0.156 32.607 32.500 -0.082 0.000 0.727 308 K HN 0.590 nan 8.250 nan 0.000 0.439 309 R N -0.390 120.072 120.500 -0.064 0.000 2.720 309 R HA 0.485 4.825 4.340 -0.000 0.000 0.272 309 R C -0.551 175.726 176.300 -0.040 0.000 0.991 309 R CA -0.338 55.725 56.100 -0.062 0.000 1.010 309 R CB 1.942 32.203 30.300 -0.065 0.000 1.141 309 R HN 0.350 nan 8.270 nan 0.000 0.494 310 G N 1.179 109.953 108.800 -0.043 0.000 2.742 310 G HA2 0.043 4.003 3.960 -0.000 0.000 0.686 310 G HA3 0.043 4.003 3.960 -0.000 0.000 0.686 310 G C -1.179 173.701 174.900 -0.034 0.000 1.220 310 G CA -0.753 44.327 45.100 -0.033 0.000 0.783 310 G HN 0.542 nan 8.290 nan 0.000 0.646 311 M N 1.573 121.157 119.600 -0.027 0.000 2.371 311 M HA 0.748 5.228 4.480 -0.000 0.000 0.287 311 M C -1.225 175.092 176.300 0.029 0.000 1.149 311 M CA -0.785 54.506 55.300 -0.015 0.000 0.929 311 M CB 2.139 34.691 32.600 -0.079 0.000 1.683 311 M HN 0.883 nan 8.290 nan 0.000 0.470 312 Q N 2.776 122.618 119.800 0.070 0.000 2.285 312 Q HA 0.599 4.939 4.340 -0.000 0.000 0.269 312 Q C -1.944 174.127 176.000 0.117 0.000 1.030 312 Q CA -0.481 55.369 55.803 0.077 0.000 0.788 312 Q CB 2.431 31.196 28.738 0.045 0.000 1.266 312 Q HN 0.801 nan 8.270 nan 0.000 0.438 313 S N 2.191 117.959 115.700 0.113 0.000 2.478 313 S HA 0.532 5.002 4.470 -0.000 0.000 0.312 313 S C -1.057 173.556 174.600 0.022 0.000 1.094 313 S CA -0.459 57.812 58.200 0.118 0.000 1.081 313 S CB 1.836 65.143 63.200 0.179 0.000 1.007 313 S HN 0.591 nan 8.310 nan 0.000 0.475 314 T N 4.126 118.646 114.554 -0.058 0.000 2.770 314 T HA 0.470 4.820 4.350 -0.000 0.000 0.283 314 T C -0.420 174.036 174.700 -0.407 0.000 0.988 314 T CA -0.403 61.542 62.100 -0.260 0.000 0.957 314 T CB 0.513 69.177 68.868 -0.340 0.000 0.930 314 T HN 0.431 nan 8.240 nan 0.000 0.443 315 M N 3.793 123.167 119.600 -0.377 0.000 2.114 315 M HA 0.473 4.953 4.480 -0.000 0.000 0.332 315 M C -1.121 174.974 176.300 -0.341 0.000 1.014 315 M CA -0.513 54.636 55.300 -0.251 0.000 0.956 315 M CB 0.902 33.470 32.600 -0.053 0.000 1.551 315 M HN 0.447 nan 8.290 nan 0.000 0.427 316 F N 3.935 123.924 119.950 0.066 0.000 2.350 316 F HA 0.526 5.053 4.527 0.000 0.000 0.365 316 F C 0.221 176.054 175.800 0.055 0.000 1.122 316 F CA -0.975 57.060 58.000 0.058 0.000 1.139 316 F CB 0.472 39.495 39.000 0.039 0.000 1.220 316 F HN 0.321 nan 8.300 nan 0.000 0.499 317 V N -0.412 119.607 119.914 0.175 0.000 2.919 317 V HA 0.631 4.751 4.120 -0.000 0.000 0.316 317 V C -0.433 175.726 176.094 0.108 0.000 1.077 317 V CA -1.064 61.310 62.300 0.123 0.000 0.977 317 V CB 2.011 33.885 31.823 0.084 0.000 1.039 317 V HN 0.606 nan 8.190 nan 0.000 0.441 318 E N 3.064 123.313 120.200 0.082 0.000 2.156 318 E HA 0.495 4.845 4.350 -0.000 0.000 0.279 318 E C -0.741 175.890 176.600 0.052 0.000 0.965 318 E CA -0.486 55.953 56.400 0.065 0.000 0.789 318 E CB 1.861 31.592 29.700 0.053 0.000 1.098 318 E HN 0.661 nan 8.360 nan 0.000 0.397 319 M N 1.705 121.334 119.600 0.048 0.000 2.247 319 M HA 0.331 4.811 4.480 -0.000 0.000 0.326 319 M C 0.384 176.699 176.300 0.025 0.000 1.134 319 M CA -0.411 54.911 55.300 0.037 0.000 1.136 319 M CB 0.966 33.590 32.600 0.040 0.000 1.454 319 M HN 0.552 nan 8.290 nan 0.000 0.467 320 A N 2.162 124.991 122.820 0.015 0.000 2.386 320 A HA 0.413 4.733 4.320 -0.000 0.000 0.246 320 A C -2.368 175.222 177.584 0.010 0.000 1.089 320 A CA -1.195 50.847 52.037 0.008 0.000 0.790 320 A CB -0.850 18.148 19.000 -0.004 0.000 1.042 320 A HN 0.469 nan 8.150 nan 0.000 0.497 321 P HA 0.217 nan 4.420 nan 0.000 0.260 321 P C 0.966 178.270 177.300 0.007 0.000 1.185 321 P CA 2.049 65.154 63.100 0.008 0.000 0.763 321 P CB 0.417 32.121 31.700 0.006 0.000 0.776 322 G N 1.617 110.424 108.800 0.010 0.000 2.205 322 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.261 322 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.261 322 G C 0.218 175.125 174.900 0.012 0.000 0.980 322 G CA -0.030 45.076 45.100 0.010 0.000 0.632 322 G HN 0.525 nan 8.290 nan 0.000 0.533 323 V N 2.183 122.105 119.914 0.013 0.000 2.649 323 V HA 0.621 4.741 4.120 -0.000 0.000 0.292 323 V C 1.057 177.167 176.094 0.025 0.000 1.055 323 V CA 0.462 62.772 62.300 0.016 0.000 1.023 323 V CB 1.328 33.158 31.823 0.011 0.000 0.992 323 V HN 0.793 nan 8.190 nan 0.000 0.480 324 T N 1.404 115.976 114.554 0.030 0.000 2.949 324 T HA 0.657 5.007 4.350 -0.000 0.000 0.287 324 T C 1.116 175.844 174.700 0.047 0.000 1.034 324 T CA -0.073 62.048 62.100 0.036 0.000 1.018 324 T CB 1.889 70.775 68.868 0.029 0.000 1.135 324 T HN 0.704 nan 8.240 nan 0.000 0.532 325 A N 1.148 123.998 122.820 0.051 0.000 1.940 325 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 325 A C 2.203 179.828 177.584 0.068 0.000 1.176 325 A CA 2.205 54.279 52.037 0.062 0.000 0.631 325 A CB -1.503 17.534 19.000 0.061 0.000 0.814 325 A HN 0.933 nan 8.150 nan 0.000 0.446 326 N N 0.200 118.927 118.700 0.046 0.000 2.166 326 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 326 N C 1.136 176.714 175.510 0.113 0.000 1.019 326 N CA 1.766 54.851 53.050 0.059 0.000 0.856 326 N CB -0.262 38.232 38.487 0.012 0.000 0.993 326 N HN 0.418 nan 8.380 nan 0.000 0.426 327 D N 0.193 120.641 120.400 0.080 0.000 2.117 327 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 327 D C 1.971 178.334 176.300 0.104 0.000 0.987 327 D CA 0.777 54.824 54.000 0.079 0.000 0.829 327 D CB -0.243 40.585 40.800 0.047 0.000 0.961 327 D HN 0.373 nan 8.370 nan 0.000 0.460 328 L N -0.312 120.971 121.223 0.100 0.000 2.046 328 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 328 L C 2.537 179.480 176.870 0.121 0.000 1.077 328 L CA 1.060 55.963 54.840 0.105 0.000 0.747 328 L CB -0.679 41.433 42.059 0.088 0.000 0.896 328 L HN 0.043 nan 8.230 nan 0.000 0.432 329 Y N 1.067 121.371 120.300 0.007 0.000 2.128 329 Y HA -0.298 4.252 4.550 -0.000 0.000 0.284 329 Y C 2.896 178.795 175.900 -0.001 0.000 1.154 329 Y CA 1.678 59.764 58.100 -0.022 0.000 1.149 329 Y CB -0.077 38.343 38.460 -0.066 0.000 0.976 329 Y HN 0.157 nan 8.280 nan 0.000 0.505 330 Q N -0.947 118.948 119.800 0.159 0.000 2.124 330 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 330 Q C 2.156 178.151 176.000 -0.008 0.000 0.977 330 Q CA 2.004 57.851 55.803 0.074 0.000 0.850 330 Q CB -0.755 28.050 28.738 0.112 0.000 0.901 330 Q HN 0.676 nan 8.270 nan 0.000 0.429 331 H N 0.520 119.564 119.070 -0.044 0.000 2.357 331 H HA 0.027 4.583 4.556 -0.000 0.000 0.301 331 H C 1.987 177.250 175.328 -0.107 0.000 1.082 331 H CA 1.252 57.262 56.048 -0.064 0.000 1.342 331 H CB -0.126 29.612 29.762 -0.040 0.000 1.389 331 H HN 0.088 nan 8.280 nan 0.000 0.511 332 L N 0.186 121.340 121.223 -0.114 0.000 2.131 332 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 332 L C 2.626 179.382 176.870 -0.191 0.000 1.092 332 L CA 1.553 56.319 54.840 -0.125 0.000 0.759 332 L CB -0.373 41.665 42.059 -0.035 0.000 0.903 332 L HN 0.296 nan 8.230 nan 0.000 0.435 333 K N 0.352 120.581 120.400 -0.286 0.000 2.002 333 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 333 K C 2.359 178.847 176.600 -0.187 0.000 1.048 333 K CA 1.916 58.045 56.287 -0.262 0.000 0.930 333 K CB -0.061 32.269 32.500 -0.284 0.000 0.714 333 K HN 0.333 nan 8.250 nan 0.000 0.438 334 S N -0.560 115.014 115.700 -0.210 0.000 2.428 334 S HA -0.084 4.385 4.470 -0.000 0.000 0.230 334 S C 1.883 176.316 174.600 -0.277 0.000 1.014 334 S CA 1.497 59.578 58.200 -0.199 0.000 0.957 334 S CB -0.440 62.657 63.200 -0.173 0.000 0.784 334 S HN 0.304 nan 8.310 nan 0.000 0.499 335 T N 0.633 114.924 114.554 -0.439 0.000 2.821 335 T HA 0.034 4.384 4.350 -0.000 0.000 0.267 335 T C 0.612 174.953 174.700 -0.599 0.000 1.046 335 T CA 1.247 62.986 62.100 -0.602 0.000 1.139 335 T CB -0.350 67.999 68.868 -0.863 0.000 0.871 335 T HN 0.601 nan 8.240 nan 0.000 0.454 336 Y N 1.097 121.316 120.300 -0.135 0.000 2.531 336 Y HA 0.250 4.800 4.550 -0.000 0.000 0.249 336 Y C 1.979 177.827 175.900 -0.088 0.000 1.168 336 Y CA -1.124 56.923 58.100 -0.088 0.000 1.226 336 Y CB -0.261 38.155 38.460 -0.072 0.000 1.177 336 Y HN 0.393 nan 8.280 nan 0.000 0.527 337 E N -0.623 119.571 120.200 -0.009 0.000 2.171 337 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 337 E C 1.893 178.483 176.600 -0.017 0.000 0.997 337 E CA 1.525 57.908 56.400 -0.029 0.000 0.810 337 E CB -0.448 29.217 29.700 -0.058 0.000 0.738 337 E HN 0.403 nan 8.360 nan 0.000 0.467 338 G N 0.712 109.507 108.800 -0.007 0.000 3.337 338 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.246 338 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.246 338 G C -0.020 174.889 174.900 0.015 0.000 1.131 338 G CA -0.418 44.678 45.100 -0.007 0.000 0.773 338 G HN -0.009 nan 8.290 nan 0.000 0.544 339 E N 0.680 120.915 120.200 0.058 0.000 2.130 339 E HA 0.106 4.456 4.350 -0.000 0.000 0.284 339 E C 0.577 177.181 176.600 0.006 0.000 1.018 339 E CA -0.281 56.171 56.400 0.086 0.000 0.817 339 E CB 1.993 31.833 29.700 0.233 0.000 1.078 339 E HN 0.496 nan 8.360 nan 0.000 0.396 340 E N 2.577 122.718 120.200 -0.100 0.000 2.150 340 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 340 E C 0.336 176.775 176.600 -0.269 0.000 0.985 340 E CA 1.056 57.288 56.400 -0.281 0.000 0.814 340 E CB 0.143 29.505 29.700 -0.564 0.000 0.752 340 E HN 0.357 nan 8.360 nan 0.000 0.466 341 F N -0.021 120.040 119.950 0.185 0.000 2.727 341 F HA 0.204 4.731 4.527 -0.000 0.000 0.302 341 F C -0.043 175.872 175.800 0.191 0.000 1.097 341 F CA -0.115 58.034 58.000 0.249 0.000 1.330 341 F CB 1.121 40.181 39.000 0.100 0.000 1.084 341 F HN -0.202 nan 8.300 nan 0.000 0.578 342 V N 1.127 121.144 119.914 0.171 0.000 2.349 342 V HA 0.327 4.447 4.120 -0.000 0.000 0.284 342 V C -0.416 175.649 176.094 -0.048 0.000 1.014 342 V CA -0.973 61.301 62.300 -0.044 0.000 0.826 342 V CB 1.542 33.085 31.823 -0.466 0.000 1.009 342 V HN -0.014 nan 8.190 nan 0.000 0.431 343 K N 4.478 124.881 120.400 0.005 0.000 2.358 343 K HA 0.629 4.949 4.320 -0.000 0.000 0.260 343 K C -1.098 175.415 176.600 -0.146 0.000 0.956 343 K CA -0.689 55.531 56.287 -0.111 0.000 0.834 343 K CB 1.632 33.963 32.500 -0.282 0.000 1.102 343 K HN 0.532 nan 8.250 nan 0.000 0.431 344 L N 6.609 127.742 121.223 -0.150 0.000 2.283 344 L HA 0.312 4.652 4.340 -0.000 0.000 0.287 344 L C -0.776 176.003 176.870 -0.151 0.000 1.073 344 L CA -0.101 54.641 54.840 -0.164 0.000 0.822 344 L CB 0.230 42.128 42.059 -0.269 0.000 1.186 344 L HN 0.679 nan 8.230 nan 0.000 0.436 345 L N 3.573 124.728 121.223 -0.113 0.000 2.482 345 L HA 0.052 4.392 4.340 -0.000 0.000 0.273 345 L C 0.666 177.556 176.870 0.033 0.000 1.228 345 L CA -0.132 54.645 54.840 -0.105 0.000 0.827 345 L CB 0.125 42.144 42.059 -0.067 0.000 1.099 345 L HN 0.706 nan 8.230 nan 0.000 0.494 346 N N 0.100 118.789 118.700 -0.018 0.000 2.530 346 N HA 0.306 5.046 4.740 -0.000 0.000 0.273 346 N C 0.634 176.127 175.510 -0.029 0.000 1.173 346 N CA 0.966 54.022 53.050 0.010 0.000 0.967 346 N CB 1.221 39.684 38.487 -0.040 0.000 1.109 346 N HN 0.759 nan 8.380 nan 0.000 0.453 347 G N 2.018 110.754 108.800 -0.107 0.000 2.690 347 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.334 347 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.334 347 G C 0.566 175.354 174.900 -0.187 0.000 1.250 347 G CA 1.144 46.132 45.100 -0.187 0.000 0.994 347 G HN 1.218 nan 8.290 nan 0.000 0.549 348 S N -0.542 115.131 115.700 -0.044 0.000 2.602 348 S HA 0.590 5.059 4.470 -0.000 0.000 0.240 348 S C 0.613 175.370 174.600 0.262 0.000 0.992 348 S CA 0.881 59.147 58.200 0.110 0.000 0.971 348 S CB 0.484 63.789 63.200 0.176 0.000 0.855 348 S HN 0.955 nan 8.310 nan 0.000 0.481 349 S N 1.987 117.770 115.700 0.138 0.000 2.552 349 S HA 0.246 4.716 4.470 -0.000 0.000 0.289 349 S C 0.164 174.945 174.600 0.301 0.000 1.304 349 S CA -0.314 57.981 58.200 0.158 0.000 1.063 349 S CB 0.704 63.936 63.200 0.053 0.000 0.848 349 S HN 0.395 nan 8.310 nan 0.000 0.499 350 V N 6.300 126.399 119.914 0.308 0.000 2.407 350 V HA 0.288 4.408 4.120 -0.000 0.000 0.278 350 V C -2.128 174.206 176.094 0.401 0.000 1.037 350 V CA -1.911 60.606 62.300 0.360 0.000 0.900 350 V CB 0.989 32.940 31.823 0.214 0.000 0.983 350 V HN 0.638 nan 8.190 nan 0.000 0.459 351 P HA 0.276 nan 4.420 nan 0.000 0.276 351 P C -0.606 176.934 177.300 0.400 0.000 1.235 351 P CA 0.024 63.358 63.100 0.390 0.000 0.772 351 P CB 0.261 32.154 31.700 0.320 0.000 0.871 352 H N 0.425 119.589 119.070 0.156 0.000 2.469 352 H HA 0.137 4.693 4.556 -0.000 0.000 0.342 352 H C 1.214 176.495 175.328 -0.078 0.000 1.115 352 H CA -0.422 55.589 56.048 -0.061 0.000 1.204 352 H CB 1.673 31.179 29.762 -0.426 0.000 1.492 352 H HN 0.417 nan 8.280 nan 0.000 0.499 353 T N 0.003 114.569 114.554 0.019 0.000 2.881 353 T HA -0.197 4.153 4.350 -0.000 0.000 0.270 353 T C 1.810 176.493 174.700 -0.029 0.000 1.068 353 T CA 0.865 62.961 62.100 -0.006 0.000 1.131 353 T CB -0.082 68.779 68.868 -0.013 0.000 0.871 353 T HN 0.661 nan 8.240 nan 0.000 0.479 354 R N 0.682 121.141 120.500 -0.070 0.000 2.189 354 R HA -0.051 4.289 4.340 -0.000 0.000 0.223 354 R C 1.611 177.886 176.300 -0.042 0.000 1.092 354 R CA 1.505 57.581 56.100 -0.040 0.000 0.989 354 R CB -0.904 29.377 30.300 -0.032 0.000 0.876 354 R HN 0.579 nan 8.270 nan 0.000 0.457 355 H N 0.199 119.246 119.070 -0.037 0.000 2.539 355 H HA 0.077 4.633 4.556 -0.000 0.000 0.267 355 H C 1.158 176.403 175.328 -0.138 0.000 0.982 355 H CA 0.379 56.366 56.048 -0.100 0.000 1.146 355 H CB 0.860 30.588 29.762 -0.057 0.000 1.382 355 H HN 0.243 nan 8.280 nan 0.000 0.577 356 V N -3.517 116.351 119.914 -0.076 0.000 3.398 356 V HA 0.211 4.331 4.120 -0.000 0.000 0.298 356 V C 0.464 176.531 176.094 -0.046 0.000 1.496 356 V CA -0.450 61.742 62.300 -0.180 0.000 1.044 356 V CB -0.086 31.505 31.823 -0.388 0.000 0.880 356 V HN -0.091 nan 8.190 nan 0.000 0.443 357 V N 3.291 123.207 119.914 0.004 0.000 2.584 357 V HA 0.429 4.548 4.120 -0.000 0.000 0.303 357 V C 1.787 177.891 176.094 0.018 0.000 1.035 357 V CA 1.928 64.235 62.300 0.011 0.000 1.172 357 V CB -0.056 31.792 31.823 0.041 0.000 0.896 357 V HN 1.129 nan 8.190 nan 0.000 0.486 358 G N 3.842 112.636 108.800 -0.010 0.000 2.162 358 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 358 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 358 G C 0.246 175.153 174.900 0.013 0.000 0.976 358 G CA 0.452 45.550 45.100 -0.004 0.000 0.655 358 G HN 1.398 nan 8.290 nan 0.000 0.533 359 S N -1.488 114.203 115.700 -0.015 0.000 2.677 359 S HA 0.667 5.137 4.470 -0.000 0.000 0.304 359 S C 0.270 174.785 174.600 -0.141 0.000 1.108 359 S CA 0.029 58.186 58.200 -0.071 0.000 0.944 359 S CB 1.920 65.095 63.200 -0.041 0.000 1.127 359 S HN 0.320 nan 8.310 nan 0.000 0.511 360 N N -0.541 118.001 118.700 -0.263 0.000 2.276 360 N HA 0.240 4.979 4.740 -0.000 0.000 0.212 360 N C -1.258 174.193 175.510 -0.099 0.000 1.127 360 N CA -0.224 52.652 53.050 -0.290 0.000 0.834 360 N CB -0.328 37.787 38.487 -0.619 0.000 1.014 360 N HN 0.555 nan 8.380 nan 0.000 0.491 361 Y N -0.350 119.986 120.300 0.061 0.000 2.301 361 Y HA 0.333 4.883 4.550 -0.000 0.000 0.328 361 Y C 0.527 176.393 175.900 -0.056 0.000 1.242 361 Y CA -1.543 56.602 58.100 0.074 0.000 1.323 361 Y CB 0.716 39.134 38.460 -0.071 0.000 1.266 361 Y HN -0.037 nan 8.280 nan 0.000 0.527 362 C N 5.116 124.576 119.300 0.265 0.000 2.346 362 C HA 0.680 5.140 4.460 -0.000 0.000 0.326 362 C C -1.474 173.723 174.990 0.345 0.000 1.224 362 C CA -0.971 58.136 59.018 0.148 0.000 1.408 362 C CB -1.501 26.281 27.740 0.071 0.000 2.089 362 C HN 0.524 nan 8.230 nan 0.000 0.456 363 F N 6.908 126.880 119.950 0.037 0.000 2.443 363 F HA 0.756 5.283 4.527 -0.000 0.000 0.335 363 F C 0.387 176.199 175.800 0.020 0.000 1.104 363 F CA -1.173 56.831 58.000 0.006 0.000 1.013 363 F CB 1.636 40.652 39.000 0.027 0.000 1.136 363 F HN 0.746 nan 8.300 nan 0.000 0.470 364 M N 2.142 121.843 119.600 0.168 0.000 2.683 364 M HA 0.695 5.174 4.480 -0.000 0.000 0.274 364 M C -1.693 174.649 176.300 0.069 0.000 1.272 364 M CA -0.767 54.600 55.300 0.113 0.000 0.833 364 M CB 3.263 35.895 32.600 0.054 0.000 1.708 364 M HN 0.397 nan 8.290 nan 0.000 0.463 365 N N -0.312 118.433 118.700 0.075 0.000 3.127 365 N HA 0.666 5.406 4.740 -0.000 0.000 0.239 365 N C -2.348 173.097 175.510 -0.107 0.000 1.407 365 N CA -0.434 52.592 53.050 -0.040 0.000 0.891 365 N CB 2.956 41.382 38.487 -0.102 0.000 1.447 365 N HN 0.784 nan 8.380 nan 0.000 0.507 366 V N 1.751 121.486 119.914 -0.297 0.000 2.735 366 V HA 0.835 4.955 4.120 -0.000 0.000 0.310 366 V C -1.482 174.329 176.094 -0.473 0.000 1.061 366 V CA -0.352 61.846 62.300 -0.171 0.000 0.913 366 V CB 1.091 32.925 31.823 0.018 0.000 1.005 366 V HN 0.535 nan 8.190 nan 0.000 0.428 367 F N 3.058 123.054 119.950 0.076 0.000 2.620 367 F HA 0.619 5.146 4.527 -0.000 0.000 0.320 367 F C 0.203 176.038 175.800 0.060 0.000 1.069 367 F CA -0.861 57.174 58.000 0.057 0.000 0.953 367 F CB 1.567 40.597 39.000 0.050 0.000 1.322 367 F HN 0.672 nan 8.300 nan 0.000 0.479 368 E N 0.141 120.481 120.200 0.233 0.000 2.349 368 E HA 0.212 4.562 4.350 -0.000 0.000 0.265 368 E C -1.238 175.458 176.600 0.161 0.000 1.064 368 E CA -0.766 55.728 56.400 0.156 0.000 0.886 368 E CB 1.484 31.245 29.700 0.102 0.000 1.036 368 E HN 0.496 nan 8.360 nan 0.000 0.413 369 D N 1.033 121.514 120.400 0.136 0.000 2.253 369 D HA 0.028 4.668 4.640 -0.000 0.000 0.249 369 D C 0.707 177.057 176.300 0.084 0.000 1.049 369 D CA -0.399 53.677 54.000 0.127 0.000 0.929 369 D CB 1.362 42.244 40.800 0.137 0.000 1.176 369 D HN 0.589 nan 8.370 nan 0.000 0.437 370 R N 2.386 122.925 120.500 0.064 0.000 2.120 370 R HA -0.007 4.332 4.340 -0.000 0.000 0.234 370 R C 0.586 176.906 176.300 0.034 0.000 1.123 370 R CA 0.672 56.796 56.100 0.041 0.000 0.975 370 R CB 0.027 30.342 30.300 0.025 0.000 0.866 370 R HN 0.492 nan 8.270 nan 0.000 0.446 371 I N 3.208 123.800 120.570 0.037 0.000 2.471 371 I HA 0.132 4.302 4.170 -0.000 0.000 0.286 371 I C -2.031 174.109 176.117 0.038 0.000 1.079 371 I CA -2.205 59.113 61.300 0.030 0.000 1.398 371 I CB 1.112 39.127 38.000 0.025 0.000 1.403 371 I HN -0.026 nan 8.210 nan 0.000 0.530 372 P HA 0.012 nan 4.420 nan 0.000 0.264 372 P C 0.800 178.121 177.300 0.035 0.000 1.183 372 P CA 0.676 63.795 63.100 0.031 0.000 0.763 372 P CB 0.583 32.297 31.700 0.023 0.000 0.807 373 G N 1.748 110.571 108.800 0.039 0.000 2.179 373 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 373 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 373 G C 0.326 175.257 174.900 0.053 0.000 0.977 373 G CA -0.221 44.903 45.100 0.040 0.000 0.641 373 G HN 0.568 nan 8.290 nan 0.000 0.533 374 R N 0.164 120.702 120.500 0.065 0.000 2.720 374 R HA 0.813 5.153 4.340 -0.000 0.000 0.272 374 R C 0.009 176.373 176.300 0.106 0.000 0.991 374 R CA 0.151 56.304 56.100 0.088 0.000 1.010 374 R CB 1.715 32.073 30.300 0.097 0.000 1.141 374 R HN 0.633 nan 8.270 nan 0.000 0.494 375 A N 1.900 124.797 122.820 0.128 0.000 2.566 375 A HA 0.699 5.019 4.320 -0.000 0.000 0.292 375 A C -1.195 176.490 177.584 0.168 0.000 1.112 375 A CA -0.711 51.410 52.037 0.141 0.000 0.707 375 A CB 1.359 20.424 19.000 0.110 0.000 1.302 375 A HN 0.602 nan 8.150 nan 0.000 0.409 376 I N 1.115 121.797 120.570 0.187 0.000 2.466 376 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 376 I C -1.118 175.099 176.117 0.167 0.000 1.026 376 I CA -0.215 61.167 61.300 0.136 0.000 1.078 376 I CB 1.775 39.885 38.000 0.184 0.000 1.249 376 I HN 0.457 nan 8.210 nan 0.000 0.429 377 I N 6.974 127.563 120.570 0.032 0.000 2.406 377 I HA 0.473 4.643 4.170 -0.000 0.000 0.290 377 I C -0.513 175.630 176.117 0.044 0.000 0.999 377 I CA -0.481 60.864 61.300 0.076 0.000 1.124 377 I CB 1.878 39.903 38.000 0.042 0.000 1.289 377 I HN 0.364 nan 8.210 nan 0.000 0.441 378 I N 4.830 125.490 120.570 0.150 0.000 2.406 378 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 378 I C -0.160 176.033 176.117 0.126 0.000 0.999 378 I CA -0.289 61.084 61.300 0.122 0.000 1.124 378 I CB 1.987 40.100 38.000 0.188 0.000 1.289 378 I HN 0.460 nan 8.210 nan 0.000 0.441 379 S N 6.088 121.844 115.700 0.094 0.000 2.594 379 S HA 0.743 5.213 4.470 -0.000 0.000 0.296 379 S C -0.871 173.785 174.600 0.092 0.000 1.124 379 S CA -0.557 57.700 58.200 0.096 0.000 1.011 379 S CB 1.359 64.604 63.200 0.074 0.000 1.016 379 S HN 0.454 nan 8.310 nan 0.000 0.485 380 V N 4.123 124.096 119.914 0.100 0.000 2.823 380 V HA 0.928 5.048 4.120 -0.000 0.000 0.312 380 V C -0.573 175.532 176.094 0.018 0.000 1.072 380 V CA -0.872 61.465 62.300 0.062 0.000 0.937 380 V CB 1.282 33.146 31.823 0.069 0.000 1.013 380 V HN 0.985 nan 8.190 nan 0.000 0.430 381 I N -0.816 119.747 120.570 -0.012 0.000 3.181 381 I HA 0.626 4.796 4.170 -0.000 0.000 0.311 381 I C -1.498 174.588 176.117 -0.052 0.000 1.287 381 I CA -0.671 60.605 61.300 -0.040 0.000 0.958 381 I CB 2.313 40.297 38.000 -0.027 0.000 1.294 381 I HN 0.653 nan 8.210 nan 0.000 0.467 382 D N 2.868 123.231 120.400 -0.062 0.000 2.347 382 D HA 0.116 4.756 4.640 -0.000 0.000 0.235 382 D C 0.987 177.249 176.300 -0.064 0.000 1.149 382 D CA -0.211 53.753 54.000 -0.060 0.000 0.850 382 D CB 0.911 41.675 40.800 -0.060 0.000 1.061 382 D HN 0.703 nan 8.370 nan 0.000 0.487 383 N N 4.515 123.175 118.700 -0.068 0.000 2.258 383 N HA -0.203 4.537 4.740 -0.000 0.000 0.187 383 N C 1.527 177.006 175.510 -0.052 0.000 1.012 383 N CA 0.864 53.869 53.050 -0.076 0.000 0.870 383 N CB -0.149 38.279 38.487 -0.098 0.000 0.977 383 N HN 0.510 nan 8.380 nan 0.000 0.434 384 L N -0.101 121.091 121.223 -0.053 0.000 2.446 384 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 384 L C 1.749 178.584 176.870 -0.058 0.000 1.116 384 L CA 0.010 54.824 54.840 -0.042 0.000 0.844 384 L CB 0.212 42.239 42.059 -0.053 0.000 0.970 384 L HN -0.012 nan 8.230 nan 0.000 0.457 385 V N -0.968 118.902 119.914 -0.073 0.000 3.064 385 V HA 0.007 4.127 4.120 -0.000 0.000 0.215 385 V C 1.985 178.008 176.094 -0.118 0.000 1.167 385 V CA 0.409 62.650 62.300 -0.099 0.000 1.286 385 V CB -0.332 31.430 31.823 -0.101 0.000 1.103 385 V HN 0.085 nan 8.190 nan 0.000 0.510 386 K N 1.742 122.069 120.400 -0.122 0.000 2.209 386 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 386 K C 1.712 178.260 176.600 -0.088 0.000 1.048 386 K CA 1.661 57.874 56.287 -0.123 0.000 0.940 386 K CB -0.997 31.451 32.500 -0.087 0.000 0.729 386 K HN 0.514 nan 8.250 nan 0.000 0.451 387 G N -1.768 106.990 108.800 -0.070 0.000 2.920 387 G HA2 0.284 4.244 3.960 -0.000 0.000 0.208 387 G HA3 0.284 4.244 3.960 -0.000 0.000 0.208 387 G C 0.620 175.495 174.900 -0.042 0.000 1.159 387 G CA 0.626 45.693 45.100 -0.054 0.000 0.784 387 G HN 0.484 nan 8.290 nan 0.000 0.535 388 A N -0.672 122.115 122.820 -0.054 0.000 1.560 388 A HA 0.475 4.795 4.320 -0.000 0.000 0.162 388 A C 1.927 179.470 177.584 -0.069 0.000 1.499 388 A CA 0.966 52.981 52.037 -0.037 0.000 2.670 388 A CB -0.855 18.142 19.000 -0.006 0.000 2.896 388 A HN 0.038 nan 8.150 nan 0.000 1.269 389 S N 0.747 116.396 115.700 -0.086 0.000 2.400 389 S HA -0.032 4.438 4.470 -0.000 0.000 0.232 389 S C 1.872 176.366 174.600 -0.176 0.000 1.025 389 S CA 1.727 59.836 58.200 -0.152 0.000 0.993 389 S CB -0.541 62.566 63.200 -0.154 0.000 0.808 389 S HN 0.993 nan 8.310 nan 0.000 0.478 390 G N 0.932 109.639 108.800 -0.155 0.000 2.404 390 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.215 390 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.215 390 G C 1.263 176.041 174.900 -0.204 0.000 1.174 390 G CA 0.906 45.889 45.100 -0.197 0.000 0.780 390 G HN 0.533 nan 8.290 nan 0.000 0.537 391 Q N 0.160 119.860 119.800 -0.167 0.000 2.170 391 Q HA 0.074 4.414 4.340 -0.000 0.000 0.203 391 Q C 2.683 178.642 176.000 -0.068 0.000 0.976 391 Q CA 1.485 57.207 55.803 -0.136 0.000 0.858 391 Q CB -0.292 28.377 28.738 -0.115 0.000 0.907 391 Q HN 0.409 nan 8.270 nan 0.000 0.433 392 A N -0.324 122.467 122.820 -0.048 0.000 1.877 392 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 392 A C 2.181 179.877 177.584 0.188 0.000 1.186 392 A CA 1.538 53.614 52.037 0.063 0.000 0.620 392 A CB -0.718 18.292 19.000 0.016 0.000 0.822 392 A HN 0.297 nan 8.150 nan 0.000 0.443 393 V N -0.051 119.892 119.914 0.048 0.000 2.427 393 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 393 V C 2.686 178.906 176.094 0.209 0.000 1.051 393 V CA 2.178 64.597 62.300 0.199 0.000 1.048 393 V CB -0.767 31.095 31.823 0.066 0.000 0.666 393 V HN 0.741 nan 8.190 nan 0.000 0.456 394 Q N 0.055 119.877 119.800 0.036 0.000 2.096 394 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 394 Q C 2.183 178.232 176.000 0.082 0.000 0.982 394 Q CA 1.869 57.675 55.803 0.006 0.000 0.850 394 Q CB -0.068 28.587 28.738 -0.138 0.000 0.901 394 Q HN 0.645 nan 8.270 nan 0.000 0.422 395 N N 0.462 119.208 118.700 0.076 0.000 2.106 395 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 395 N C 1.751 177.321 175.510 0.100 0.000 1.029 395 N CA 0.811 53.902 53.050 0.069 0.000 0.848 395 N CB -0.345 38.164 38.487 0.036 0.000 1.007 395 N HN 0.207 nan 8.380 nan 0.000 0.423 396 L N 2.006 123.322 121.223 0.155 0.000 2.083 396 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 396 L C 1.636 178.680 176.870 0.289 0.000 1.083 396 L CA 1.493 56.402 54.840 0.115 0.000 0.752 396 L CB -0.802 41.250 42.059 -0.011 0.000 0.899 396 L HN 0.066 nan 8.230 nan 0.000 0.433 397 N N -0.458 118.474 118.700 0.387 0.000 2.069 397 N HA -0.207 4.533 4.740 -0.000 0.000 0.191 397 N C 1.809 177.433 175.510 0.191 0.000 1.031 397 N CA 1.670 54.917 53.050 0.329 0.000 0.852 397 N CB -0.509 38.102 38.487 0.207 0.000 1.018 397 N HN 0.309 nan 8.380 nan 0.000 0.423 398 L N 1.021 122.328 121.223 0.139 0.000 2.046 398 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 398 L C 2.091 179.004 176.870 0.071 0.000 1.077 398 L CA 1.439 56.333 54.840 0.091 0.000 0.747 398 L CB -0.514 41.589 42.059 0.074 0.000 0.896 398 L HN 0.134 nan 8.230 nan 0.000 0.432 399 M N -1.776 117.862 119.600 0.063 0.000 2.296 399 M HA -0.159 4.321 4.480 -0.000 0.000 0.265 399 M C 1.572 177.893 176.300 0.035 0.000 1.064 399 M CA 1.295 56.611 55.300 0.025 0.000 1.109 399 M CB -0.227 32.363 32.600 -0.017 0.000 1.396 399 M HN 0.208 nan 8.290 nan 0.000 0.430 400 M N -0.708 118.944 119.600 0.087 0.000 2.495 400 M HA 0.236 4.716 4.480 -0.000 0.000 0.237 400 M C 1.180 177.535 176.300 0.090 0.000 1.131 400 M CA 0.621 55.983 55.300 0.103 0.000 1.032 400 M CB -0.362 32.368 32.600 0.216 0.000 1.513 400 M HN 0.518 nan 8.290 nan 0.000 0.488 401 G N 1.840 110.686 108.800 0.076 0.000 2.147 401 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 401 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 401 G C -0.014 174.917 174.900 0.053 0.000 1.005 401 G CA -0.022 45.111 45.100 0.055 0.000 0.713 401 G HN 0.425 nan 8.290 nan 0.000 0.515 402 L N -0.234 121.031 121.223 0.070 0.000 2.358 402 L HA 0.532 4.872 4.340 -0.000 0.000 0.268 402 L C -1.831 175.056 176.870 0.030 0.000 1.032 402 L CA -2.582 52.281 54.840 0.037 0.000 0.805 402 L CB 1.070 43.144 42.059 0.025 0.000 1.253 402 L HN -0.172 nan 8.230 nan 0.000 0.452 403 P HA -0.012 nan 4.420 nan 0.000 0.264 403 P C 0.096 177.420 177.300 0.040 0.000 1.183 403 P CA 0.172 63.277 63.100 0.009 0.000 0.763 403 P CB 0.484 32.170 31.700 -0.023 0.000 0.807 404 E N 2.221 122.474 120.200 0.087 0.000 2.209 404 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 404 E C 1.104 177.834 176.600 0.217 0.000 0.993 404 E CA 1.289 57.780 56.400 0.152 0.000 0.819 404 E CB -0.225 29.595 29.700 0.199 0.000 0.745 404 E HN 0.563 nan 8.360 nan 0.000 0.477 405 N N 0.098 118.928 118.700 0.218 0.000 2.398 405 N HA -0.057 4.683 4.740 -0.000 0.000 0.188 405 N C -0.153 175.385 175.510 0.046 0.000 1.122 405 N CA 0.225 53.449 53.050 0.291 0.000 0.866 405 N CB -0.240 38.349 38.487 0.170 0.000 0.970 405 N HN -0.229 nan 8.380 nan 0.000 0.462 406 T N 0.805 115.312 114.554 -0.078 0.000 2.778 406 T HA 0.336 4.685 4.350 -0.000 0.000 0.282 406 T C 1.325 175.780 174.700 -0.408 0.000 0.983 406 T CA 0.866 62.776 62.100 -0.316 0.000 1.193 406 T CB -0.099 68.478 68.868 -0.486 0.000 0.938 406 T HN 0.588 nan 8.240 nan 0.000 0.523 407 G N 3.163 111.715 108.800 -0.413 0.000 2.155 407 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 407 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 407 G C 0.450 175.173 174.900 -0.295 0.000 0.983 407 G CA 0.107 44.991 45.100 -0.359 0.000 0.676 407 G HN 0.710 nan 8.290 nan 0.000 0.528 408 L N -0.596 120.505 121.223 -0.202 0.000 3.168 408 L HA 0.304 4.644 4.340 -0.000 0.000 0.277 408 L C 1.705 178.551 176.870 -0.041 0.000 1.245 408 L CA -0.096 54.646 54.840 -0.163 0.000 1.035 408 L CB 0.632 42.572 42.059 -0.199 0.000 1.399 408 L HN 0.231 nan 8.230 nan 0.000 0.580 409 Q N -0.549 119.186 119.800 -0.109 0.000 2.246 409 Q HA 0.117 4.457 4.340 -0.000 0.000 0.202 409 Q C -0.511 175.515 176.000 0.045 0.000 0.883 409 Q CA -0.263 55.531 55.803 -0.014 0.000 0.952 409 Q CB 0.472 29.201 28.738 -0.015 0.000 1.078 409 Q HN 0.254 nan 8.270 nan 0.000 0.493 410 Y N 2.292 122.580 120.300 -0.019 0.000 2.721 410 Y HA -0.078 4.472 4.550 -0.000 0.000 0.329 410 Y C 0.940 176.841 175.900 0.002 0.000 1.211 410 Y CA 0.015 58.111 58.100 -0.008 0.000 1.512 410 Y CB 0.149 38.597 38.460 -0.020 0.000 1.249 410 Y HN 0.054 nan 8.280 nan 0.000 0.549 411 Q N 5.572 125.512 119.800 0.234 0.000 2.299 411 Q HA 0.235 4.575 4.340 -0.000 0.000 0.246 411 Q C -2.084 174.022 176.000 0.176 0.000 0.935 411 Q CA -2.012 53.924 55.803 0.221 0.000 0.887 411 Q CB 0.321 29.183 28.738 0.208 0.000 1.223 411 Q HN 0.425 nan 8.270 nan 0.000 0.439 412 P HA -0.093 nan 4.420 nan 0.000 0.264 412 P C -0.397 176.996 177.300 0.155 0.000 1.179 412 P CA -0.148 63.051 63.100 0.165 0.000 0.763 412 P CB 0.450 32.263 31.700 0.189 0.000 0.806 413 L N 5.337 126.628 121.223 0.113 0.000 2.356 413 L HA 0.404 4.744 4.340 -0.000 0.000 0.282 413 L C -0.815 176.154 176.870 0.166 0.000 1.132 413 L CA -0.158 54.735 54.840 0.088 0.000 0.923 413 L CB -1.252 40.815 42.059 0.014 0.000 1.278 413 L HN 0.233 nan 8.230 nan 0.000 0.436 414 F N 6.200 126.179 119.950 0.048 0.000 2.569 414 F HA 0.731 5.258 4.527 -0.000 0.000 0.312 414 F C -1.915 173.917 175.800 0.054 0.000 1.109 414 F CA -1.397 56.643 58.000 0.066 0.000 0.919 414 F CB 0.835 39.913 39.000 0.130 0.000 1.211 414 F HN 0.459 nan 8.300 nan 0.000 0.446 415 P HA 0.000 nan 4.420 nan 0.000 0.216 415 P CA 0.000 62.418 63.100 -1.137 0.000 0.800 415 P CB 0.000 31.173 31.700 -0.878 0.000 0.726