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 2cwv_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFA TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.578 177.584 -0.009 0.000 1.274 9 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 9 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 10 S N 0.833 116.536 115.700 0.005 0.000 2.564 10 S HA 0.478 4.923 4.470 -0.041 0.000 0.278 10 S C -1.289 173.286 174.600 -0.041 0.000 1.333 10 S CA -0.761 57.452 58.200 0.020 0.000 1.048 10 S CB 0.679 63.929 63.200 0.083 0.000 0.900 10 S HN 0.303 nan 8.310 nan 0.000 0.505 11 P HA 0.100 nan 4.420 nan 0.000 0.233 11 P C -0.101 176.824 177.300 -0.625 0.000 1.167 11 P CA 0.803 63.670 63.100 -0.389 0.000 0.770 11 P CB 0.043 31.432 31.700 -0.518 0.000 0.837 12 F N -0.564 119.315 119.950 -0.118 0.000 2.647 12 F HA 0.198 4.700 4.527 -0.042 0.000 0.300 12 F C 1.331 177.064 175.800 -0.112 0.000 1.106 12 F CA -0.755 57.131 58.000 -0.189 0.000 1.313 12 F CB -0.256 38.620 39.000 -0.206 0.000 1.007 12 F HN -0.195 nan 8.300 nan 0.000 0.536 13 R N 0.638 121.157 120.500 0.032 0.000 2.784 13 R HA 0.284 4.599 4.340 -0.041 0.000 0.266 13 R C -0.166 176.152 176.300 0.030 0.000 1.044 13 R CA -0.467 55.660 56.100 0.046 0.000 1.151 13 R CB 0.509 30.826 30.300 0.029 0.000 1.037 13 R HN 0.160 nan 8.270 nan 0.000 0.478 14 L N 1.577 122.831 121.223 0.053 0.000 2.461 14 L HA 0.161 4.477 4.340 -0.041 0.000 0.272 14 L C 0.761 177.668 176.870 0.062 0.000 1.197 14 L CA -0.298 54.577 54.840 0.058 0.000 0.836 14 L CB 0.646 42.740 42.059 0.059 0.000 1.105 14 L HN 0.852 nan 8.230 nan 0.000 0.477 15 A N 2.405 125.276 122.820 0.086 0.000 2.498 15 A HA 0.346 4.641 4.320 -0.041 0.000 0.239 15 A C 0.368 178.020 177.584 0.112 0.000 1.068 15 A CA -0.177 51.956 52.037 0.159 0.000 0.766 15 A CB 0.155 19.308 19.000 0.256 0.000 1.003 15 A HN 0.763 nan 8.150 nan 0.000 0.497 16 S N 1.387 117.148 115.700 0.102 0.000 2.687 16 S HA 0.606 5.051 4.470 -0.041 0.000 0.283 16 S C 1.165 175.777 174.600 0.019 0.000 1.170 16 S CA -0.182 58.046 58.200 0.047 0.000 1.008 16 S CB 1.493 64.713 63.200 0.033 0.000 1.026 16 S HN 1.568 nan 8.310 nan 0.000 0.541 17 A N 1.532 124.352 122.820 0.001 0.000 1.933 17 A HA 0.143 4.438 4.320 -0.041 0.000 0.218 17 A C 2.132 179.691 177.584 -0.041 0.000 1.175 17 A CA 1.707 53.733 52.037 -0.018 0.000 0.628 17 A CB -1.784 17.208 19.000 -0.014 0.000 0.814 17 A HN 1.163 nan 8.150 nan 0.000 0.444 18 G N -0.419 108.360 108.800 -0.034 0.000 2.418 18 G HA2 -0.221 3.714 3.960 -0.041 0.000 0.217 18 G HA3 -0.221 3.714 3.960 -0.041 0.000 0.217 18 G C 1.411 176.256 174.900 -0.092 0.000 1.158 18 G CA 0.982 46.052 45.100 -0.049 0.000 0.771 18 G HN 0.663 nan 8.290 nan 0.000 0.545 19 E N -0.012 120.127 120.200 -0.101 0.000 2.110 19 E HA -0.074 4.251 4.350 -0.041 0.000 0.193 19 E C 2.493 178.834 176.600 -0.432 0.000 0.988 19 E CA 0.628 56.894 56.400 -0.224 0.000 0.804 19 E CB -0.142 29.498 29.700 -0.100 0.000 0.745 19 E HN 0.501 nan 8.360 nan 0.000 0.458 20 I N 0.758 121.144 120.570 -0.308 0.000 2.252 20 I HA -0.232 3.914 4.170 -0.041 0.000 0.245 20 I C 2.359 178.349 176.117 -0.212 0.000 1.102 20 I CA 0.743 61.864 61.300 -0.298 0.000 1.385 20 I CB -0.134 37.781 38.000 -0.141 0.000 1.064 20 I HN -0.016 nan 8.210 nan 0.000 0.414 21 S N 0.153 115.768 115.700 -0.143 0.000 2.382 21 S HA -0.212 4.233 4.470 -0.041 0.000 0.228 21 S C 1.897 176.430 174.600 -0.112 0.000 1.027 21 S CA 1.346 59.488 58.200 -0.097 0.000 0.991 21 S CB -0.200 62.960 63.200 -0.066 0.000 0.823 21 S HN 0.374 nan 8.310 nan 0.000 0.469 22 E N 1.210 121.322 120.200 -0.147 0.000 2.072 22 E HA -0.069 4.256 4.350 -0.041 0.000 0.191 22 E C 1.907 178.412 176.600 -0.157 0.000 0.985 22 E CA 0.842 57.161 56.400 -0.135 0.000 0.801 22 E CB -0.338 29.278 29.700 -0.139 0.000 0.750 22 E HN 0.234 nan 8.360 nan 0.000 0.452 23 V N 0.886 120.649 119.914 -0.253 0.000 2.287 23 V HA -0.296 3.799 4.120 -0.041 0.000 0.248 23 V C 2.574 178.596 176.094 -0.119 0.000 1.053 23 V CA 2.271 64.435 62.300 -0.227 0.000 1.027 23 V CB -0.640 30.971 31.823 -0.354 0.000 0.646 23 V HN 0.416 nan 8.190 nan 0.000 0.447 24 Q N 0.051 119.786 119.800 -0.107 0.000 2.061 24 Q HA -0.204 4.111 4.340 -0.041 0.000 0.204 24 Q C 2.247 178.227 176.000 -0.034 0.000 0.984 24 Q CA 2.244 58.017 55.803 -0.050 0.000 0.846 24 Q CB -0.527 28.189 28.738 -0.036 0.000 0.902 24 Q HN 0.655 nan 8.270 nan 0.000 0.421 25 G N 1.144 109.917 108.800 -0.045 0.000 2.418 25 G HA2 -0.209 3.726 3.960 -0.041 0.000 0.217 25 G HA3 -0.209 3.726 3.960 -0.041 0.000 0.217 25 G C 1.410 176.294 174.900 -0.026 0.000 1.158 25 G CA 0.784 45.865 45.100 -0.032 0.000 0.771 25 G HN 0.310 nan 8.290 nan 0.000 0.545 26 I N 1.005 121.554 120.570 -0.035 0.000 2.179 26 I HA -0.099 4.046 4.170 -0.041 0.000 0.242 26 I C 2.886 178.998 176.117 -0.009 0.000 1.088 26 I CA 0.851 62.138 61.300 -0.022 0.000 1.357 26 I CB -1.252 36.731 38.000 -0.028 0.000 1.051 26 I HN 0.160 nan 8.210 nan 0.000 0.409 27 L N -0.086 121.132 121.223 -0.007 0.000 2.012 27 L HA -0.219 4.096 4.340 -0.041 0.000 0.210 27 L C 2.844 179.721 176.870 0.011 0.000 1.073 27 L CA 1.409 56.254 54.840 0.009 0.000 0.748 27 L CB -0.622 41.446 42.059 0.015 0.000 0.891 27 L HN 0.191 nan 8.230 nan 0.000 0.431 28 R N -0.193 120.311 120.500 0.007 0.000 2.070 28 R HA -0.153 4.162 4.340 -0.041 0.000 0.233 28 R C 2.431 178.734 176.300 0.005 0.000 1.137 28 R CA 2.153 58.259 56.100 0.009 0.000 0.945 28 R CB -0.696 29.607 30.300 0.005 0.000 0.845 28 R HN 0.513 nan 8.270 nan 0.000 0.430 29 T N -1.516 113.038 114.554 -0.000 0.000 2.929 29 T HA -0.045 4.280 4.350 -0.041 0.000 0.271 29 T C 1.807 176.508 174.700 0.002 0.000 1.085 29 T CA 1.119 63.218 62.100 -0.001 0.000 1.125 29 T CB -0.087 68.778 68.868 -0.005 0.000 0.874 29 T HN 0.250 nan 8.240 nan 0.000 0.494 30 A N 0.803 123.626 122.820 0.005 0.000 2.238 30 A HA 0.578 4.873 4.320 -0.041 0.000 0.208 30 A C 2.067 179.657 177.584 0.010 0.000 1.177 30 A CA 0.571 52.612 52.037 0.008 0.000 0.804 30 A CB -1.048 17.959 19.000 0.012 0.000 0.823 30 A HN 1.330 nan 8.150 nan 0.000 0.482 31 G N -1.058 107.747 108.800 0.010 0.000 2.143 31 G HA2 -0.242 3.693 3.960 -0.041 0.000 0.248 31 G HA3 -0.242 3.693 3.960 -0.041 0.000 0.248 31 G C 0.550 175.459 174.900 0.014 0.000 0.991 31 G CA 0.498 45.604 45.100 0.010 0.000 0.689 31 G HN 0.539 nan 8.290 nan 0.000 0.522 32 L N -1.098 120.136 121.223 0.019 0.000 2.607 32 L HA 0.447 4.762 4.340 -0.041 0.000 0.228 32 L C 1.134 178.023 176.870 0.032 0.000 1.123 32 L CA 0.008 54.864 54.840 0.026 0.000 0.890 32 L CB 0.436 42.514 42.059 0.032 0.000 1.103 32 L HN 0.177 nan 8.230 nan 0.000 0.468 33 L N 0.803 122.046 121.223 0.032 0.000 2.839 33 L HA 0.491 4.806 4.340 -0.041 0.000 0.259 33 L C 0.804 177.702 176.870 0.047 0.000 1.369 33 L CA -0.212 54.655 54.840 0.046 0.000 0.845 33 L CB 0.293 42.381 42.059 0.048 0.000 1.181 33 L HN -0.034 nan 8.230 nan 0.000 0.529 34 G N 0.547 109.369 108.800 0.037 0.000 2.683 34 G HA2 0.265 4.200 3.960 -0.041 0.000 0.260 34 G HA3 0.265 4.200 3.960 -0.041 0.000 0.260 34 G C -1.662 173.270 174.900 0.053 0.000 1.238 34 G CA -0.684 44.435 45.100 0.033 0.000 0.934 34 G HN 0.363 nan 8.290 nan 0.000 0.534 35 P HA -0.077 nan 4.420 nan 0.000 0.219 35 P C 1.605 178.956 177.300 0.085 0.000 1.146 35 P CA 1.302 64.436 63.100 0.057 0.000 0.808 35 P CB 0.238 31.953 31.700 0.025 0.000 0.779 36 E N -0.852 119.378 120.200 0.050 0.000 2.478 36 E HA -0.016 4.310 4.350 -0.041 0.000 0.194 36 E C 0.222 176.830 176.600 0.014 0.000 1.045 36 E CA 0.624 57.042 56.400 0.030 0.000 0.868 36 E CB -0.214 29.482 29.700 -0.007 0.000 0.885 36 E HN 0.116 nan 8.360 nan 0.000 0.505 37 K N 1.470 121.896 120.400 0.044 0.000 2.118 37 K HA 0.378 4.673 4.320 -0.041 0.000 0.264 37 K C 0.263 176.902 176.600 0.065 0.000 1.000 37 K CA -0.499 55.808 56.287 0.034 0.000 0.929 37 K CB 1.115 33.643 32.500 0.046 0.000 1.021 37 K HN -0.031 nan 8.250 nan 0.000 0.463 38 R N 1.402 121.930 120.500 0.048 0.000 2.651 38 R HA 0.403 4.719 4.340 -0.041 0.000 0.278 38 R C -0.427 175.902 176.300 0.048 0.000 1.010 38 R CA -0.864 55.237 56.100 0.002 0.000 0.896 38 R CB 1.250 31.571 30.300 0.034 0.000 1.211 38 R HN 0.462 nan 8.270 nan 0.000 0.456 39 I N 2.614 123.173 120.570 -0.018 0.000 2.347 39 I HA 0.121 4.267 4.170 -0.041 0.000 0.294 39 I C 1.364 177.505 176.117 0.041 0.000 1.090 39 I CA 0.148 61.464 61.300 0.026 0.000 1.314 39 I CB 0.648 38.633 38.000 -0.025 0.000 1.423 39 I HN 0.723 nan 8.210 nan 0.000 0.503 40 A N 6.757 129.668 122.820 0.152 0.000 2.132 40 A HA 0.029 4.324 4.320 -0.041 0.000 0.213 40 A C 0.405 178.129 177.584 0.233 0.000 1.154 40 A CA 0.616 52.759 52.037 0.176 0.000 0.753 40 A CB 0.189 19.335 19.000 0.244 0.000 0.826 40 A HN 0.660 nan 8.150 nan 0.000 0.469 41 Y N -2.067 118.260 120.300 0.044 0.000 2.521 41 Y HA 0.549 5.074 4.550 -0.042 0.000 0.328 41 Y C -1.929 173.868 175.900 -0.173 0.000 1.151 41 Y CA -1.190 56.831 58.100 -0.131 0.000 1.054 41 Y CB 1.118 39.350 38.460 -0.380 0.000 1.338 41 Y HN 0.137 nan 8.280 nan 0.000 0.453 42 L N 5.224 125.777 121.223 -1.117 0.000 2.543 42 L HA 0.948 5.264 4.340 -0.041 0.000 0.265 42 L C -1.244 175.086 176.870 -0.899 0.000 0.945 42 L CA -0.175 54.215 54.840 -0.749 0.000 0.869 42 L CB 1.971 43.865 42.059 -0.275 0.000 1.294 42 L HN 0.950 nan 8.230 nan 0.000 0.405 43 G N 2.858 111.293 108.800 -0.608 0.000 2.720 43 G HA2 0.481 4.416 3.960 -0.041 0.000 0.295 43 G HA3 0.481 4.416 3.960 -0.041 0.000 0.295 43 G C -1.892 172.821 174.900 -0.311 0.000 1.437 43 G CA -0.546 44.341 45.100 -0.356 0.000 0.886 43 G HN 0.497 nan 8.290 nan 0.000 0.509 44 V N 1.667 121.247 119.914 -0.557 0.000 2.775 44 V HA 0.563 4.658 4.120 -0.041 0.000 0.299 44 V C 0.175 176.010 176.094 -0.432 0.000 1.062 44 V CA -0.510 61.212 62.300 -0.963 0.000 1.063 44 V CB 0.814 32.038 31.823 -0.999 0.000 0.994 44 V HN 0.563 nan 8.190 nan 0.000 0.483 45 L N 5.470 126.472 121.223 -0.368 0.000 2.326 45 L HA 0.427 4.742 4.340 -0.041 0.000 0.278 45 L C 0.059 176.817 176.870 -0.187 0.000 1.092 45 L CA -0.634 54.094 54.840 -0.187 0.000 0.810 45 L CB 0.926 42.913 42.059 -0.121 0.000 1.153 45 L HN 0.612 nan 8.230 nan 0.000 0.439 46 D N 3.017 123.351 120.400 -0.110 0.000 2.362 46 D HA 0.196 4.811 4.640 -0.041 0.000 0.242 46 D C -2.047 174.180 176.300 -0.123 0.000 1.132 46 D CA -0.904 53.036 54.000 -0.101 0.000 0.907 46 D CB 0.392 41.219 40.800 0.045 0.000 1.195 46 D HN 0.250 nan 8.370 nan 0.000 0.429 47 P HA 0.205 nan 4.420 nan 0.000 0.268 47 P C -0.740 176.525 177.300 -0.059 0.000 1.204 47 P CA -0.158 62.842 63.100 -0.168 0.000 0.768 47 P CB 0.585 32.120 31.700 -0.276 0.000 0.842 48 A N 3.849 126.642 122.820 -0.046 0.000 2.386 48 A HA 0.183 4.479 4.320 -0.041 0.000 0.246 48 A C 0.468 178.033 177.584 -0.031 0.000 1.089 48 A CA -0.289 51.740 52.037 -0.014 0.000 0.790 48 A CB 0.117 19.109 19.000 -0.013 0.000 1.042 48 A HN 0.404 nan 8.150 nan 0.000 0.497 49 R N 0.215 120.685 120.500 -0.051 0.000 2.480 49 R HA 0.322 4.637 4.340 -0.041 0.000 0.303 49 R C 0.662 176.925 176.300 -0.061 0.000 0.985 49 R CA 1.357 57.382 56.100 -0.125 0.000 1.051 49 R CB -0.675 29.500 30.300 -0.209 0.000 0.935 49 R HN 1.778 nan 8.270 nan 0.000 0.410 50 G N 1.711 110.493 108.800 -0.030 0.000 2.860 50 G HA2 -0.091 3.844 3.960 -0.041 0.000 0.547 50 G HA3 -0.091 3.844 3.960 -0.041 0.000 0.547 50 G C 0.188 175.090 174.900 0.003 0.000 1.103 50 G CA -0.236 44.864 45.100 -0.001 0.000 1.126 50 G HN 0.700 nan 8.290 nan 0.000 0.490 51 A N 1.161 123.993 122.820 0.020 0.000 2.476 51 A HA 0.624 4.919 4.320 -0.041 0.000 0.263 51 A C 2.125 179.713 177.584 0.006 0.000 1.342 51 A CA 1.320 53.361 52.037 0.007 0.000 0.926 51 A CB -0.087 18.927 19.000 0.023 0.000 1.019 51 A HN 2.042 nan 8.150 nan 0.000 0.515 52 G N 0.338 109.142 108.800 0.007 0.000 2.708 52 G HA2 0.103 4.038 3.960 -0.041 0.000 0.210 52 G HA3 0.103 4.038 3.960 -0.041 0.000 0.210 52 G C 0.695 175.594 174.900 -0.001 0.000 1.141 52 G CA 0.790 45.893 45.100 0.006 0.000 0.788 52 G HN 0.751 nan 8.290 nan 0.000 0.531 53 S N 0.926 116.621 115.700 -0.008 0.000 2.474 53 S HA 0.420 4.865 4.470 -0.041 0.000 0.320 53 S C -0.143 174.447 174.600 -0.016 0.000 1.067 53 S CA -0.832 57.361 58.200 -0.012 0.000 1.127 53 S CB 1.538 64.729 63.200 -0.016 0.000 0.971 53 S HN 0.161 nan 8.310 nan 0.000 0.472 54 E N 2.262 122.455 120.200 -0.012 0.000 2.565 54 E HA 0.194 4.519 4.350 -0.041 0.000 0.268 54 E C 0.722 177.310 176.600 -0.020 0.000 1.000 54 E CA 1.090 57.482 56.400 -0.014 0.000 0.964 54 E CB -0.011 29.683 29.700 -0.010 0.000 0.955 54 E HN 1.423 nan 8.360 nan 0.000 0.459 55 A N 2.470 125.275 122.820 -0.025 0.000 1.478 55 A HA -0.161 4.135 4.320 -0.041 0.000 0.209 55 A C 0.323 177.883 177.584 -0.041 0.000 1.187 55 A CA 0.879 52.898 52.037 -0.030 0.000 0.583 55 A CB -0.700 18.287 19.000 -0.021 0.000 1.272 55 A HN 0.518 nan 8.150 nan 0.000 0.177 56 E N 2.880 123.044 120.200 -0.061 0.000 2.229 56 E HA 0.398 4.723 4.350 -0.041 0.000 0.283 56 E C -0.329 176.232 176.600 -0.065 0.000 1.030 56 E CA -0.442 55.909 56.400 -0.081 0.000 0.836 56 E CB 1.044 30.662 29.700 -0.138 0.000 1.068 56 E HN 0.549 nan 8.360 nan 0.000 0.401 57 D N 3.524 123.894 120.400 -0.051 0.000 2.346 57 D HA -0.001 4.614 4.640 -0.041 0.000 0.260 57 D C -0.438 175.842 176.300 -0.034 0.000 1.252 57 D CA -0.240 53.742 54.000 -0.029 0.000 0.895 57 D CB 0.350 41.139 40.800 -0.018 0.000 1.097 57 D HN 0.136 nan 8.370 nan 0.000 0.489 58 R N 4.308 124.802 120.500 -0.010 0.000 2.343 58 R HA 0.235 4.550 4.340 -0.041 0.000 0.326 58 R C 0.152 176.500 176.300 0.079 0.000 1.055 58 R CA 0.045 56.150 56.100 0.009 0.000 0.961 58 R CB 0.224 30.570 30.300 0.077 0.000 0.978 58 R HN 0.468 nan 8.270 nan 0.000 0.443 59 R N 2.429 122.931 120.500 0.004 0.000 2.711 59 R HA 0.489 4.805 4.340 -0.041 0.000 0.284 59 R C -0.721 175.575 176.300 -0.006 0.000 0.968 59 R CA -0.682 55.462 56.100 0.073 0.000 0.924 59 R CB 1.522 31.831 30.300 0.015 0.000 1.162 59 R HN 0.233 nan 8.270 nan 0.000 0.465 60 F N 0.620 120.552 119.950 -0.031 0.000 2.532 60 F HA 0.480 4.982 4.527 -0.042 0.000 0.321 60 F C 0.361 176.150 175.800 -0.018 0.000 1.089 60 F CA -0.826 57.149 58.000 -0.042 0.000 0.926 60 F CB 1.816 40.780 39.000 -0.061 0.000 1.168 60 F HN 0.163 nan 8.300 nan 0.000 0.459 61 R N 2.189 122.757 120.500 0.113 0.000 2.393 61 R HA 0.819 5.135 4.340 -0.041 0.000 0.310 61 R C -1.940 174.408 176.300 0.080 0.000 0.968 61 R CA -0.473 55.697 56.100 0.117 0.000 0.867 61 R CB 1.395 31.767 30.300 0.120 0.000 1.124 61 R HN 0.560 nan 8.270 nan 0.000 0.450 62 V N 4.932 124.929 119.914 0.138 0.000 2.709 62 V HA 0.478 4.573 4.120 -0.041 0.000 0.308 62 V C -1.069 175.253 176.094 0.380 0.000 1.062 62 V CA -0.846 61.532 62.300 0.131 0.000 0.901 62 V CB 1.910 33.798 31.823 0.109 0.000 1.003 62 V HN 0.567 nan 8.190 nan 0.000 0.425 63 F N 4.244 124.359 119.950 0.275 0.000 2.388 63 F HA 0.604 5.106 4.527 -0.042 0.000 0.358 63 F C 0.187 176.098 175.800 0.185 0.000 1.122 63 F CA -1.701 56.462 58.000 0.272 0.000 1.056 63 F CB 1.206 40.415 39.000 0.348 0.000 1.155 63 F HN 0.232 nan 8.300 nan 0.000 0.461 64 I N 4.105 124.870 120.570 0.324 0.000 2.312 64 I HA 0.176 4.321 4.170 -0.041 0.000 0.290 64 I C -0.128 176.097 176.117 0.180 0.000 1.008 64 I CA -0.684 60.738 61.300 0.202 0.000 1.226 64 I CB 1.016 39.094 38.000 0.130 0.000 1.371 64 I HN 0.498 nan 8.210 nan 0.000 0.468 65 H N 5.851 124.967 119.070 0.077 0.000 2.511 65 H HA 0.292 4.823 4.556 -0.041 0.000 0.346 65 H C -1.013 174.329 175.328 0.025 0.000 1.128 65 H CA -0.225 55.846 56.048 0.040 0.000 1.342 65 H CB 1.195 30.980 29.762 0.038 0.000 1.470 65 H HN 0.462 nan 8.280 nan 0.000 0.546 66 D N 4.364 124.362 120.400 -0.670 0.000 2.462 66 D HA 0.059 4.674 4.640 -0.041 0.000 0.245 66 D C 1.142 177.036 176.300 -0.677 0.000 1.122 66 D CA -0.462 53.255 54.000 -0.473 0.000 0.864 66 D CB 1.054 41.719 40.800 -0.225 0.000 1.098 66 D HN 0.478 nan 8.370 nan 0.000 0.541 67 V N 2.171 121.814 119.914 -0.453 0.000 3.026 67 V HA -0.110 3.985 4.120 -0.041 0.000 0.265 67 V C 1.729 177.766 176.094 -0.095 0.000 1.121 67 V CA 1.887 64.073 62.300 -0.190 0.000 1.142 67 V CB -0.454 31.368 31.823 -0.002 0.000 0.730 67 V HN 0.424 nan 8.190 nan 0.000 0.503 68 S N 0.119 115.752 115.700 -0.112 0.000 2.496 68 S HA 0.317 4.762 4.470 -0.041 0.000 0.224 68 S C 1.798 176.364 174.600 -0.057 0.000 0.996 68 S CA 1.400 59.565 58.200 -0.059 0.000 0.927 68 S CB -0.039 63.131 63.200 -0.049 0.000 0.774 68 S HN 1.695 nan 8.310 nan 0.000 0.524 69 G N 0.518 109.264 108.800 -0.089 0.000 2.254 69 G HA2 -0.148 3.787 3.960 -0.041 0.000 0.225 69 G HA3 -0.148 3.787 3.960 -0.041 0.000 0.225 69 G C 0.375 175.239 174.900 -0.060 0.000 1.003 69 G CA -0.006 45.060 45.100 -0.056 0.000 0.622 69 G HN 1.292 nan 8.290 nan 0.000 0.507 70 A N 0.985 123.766 122.820 -0.065 0.000 2.561 70 A HA 0.494 4.789 4.320 -0.041 0.000 0.234 70 A C 1.003 178.549 177.584 -0.063 0.000 1.055 70 A CA 0.673 52.677 52.037 -0.054 0.000 0.756 70 A CB 0.034 19.005 19.000 -0.049 0.000 0.986 70 A HN 0.656 nan 8.150 nan 0.000 0.505 71 R N 2.024 122.492 120.500 -0.053 0.000 2.538 71 R HA 0.009 4.324 4.340 -0.041 0.000 0.273 71 R C -2.000 174.263 176.300 -0.062 0.000 0.967 71 R CA -0.115 55.948 56.100 -0.061 0.000 1.101 71 R CB -0.086 30.180 30.300 -0.057 0.000 0.908 71 R HN 0.631 nan 8.270 nan 0.000 0.411 72 P HA 0.130 nan 4.420 nan 0.000 0.282 72 P C -1.122 176.151 177.300 -0.046 0.000 1.287 72 P CA -0.431 62.642 63.100 -0.045 0.000 0.792 72 P CB 1.011 32.694 31.700 -0.028 0.000 1.163 73 Q N -1.254 118.550 119.800 0.008 0.000 2.456 73 Q HA 0.406 4.721 4.340 -0.041 0.000 0.284 73 Q C -1.001 175.076 176.000 0.129 0.000 1.061 73 Q CA -0.699 55.125 55.803 0.034 0.000 0.799 73 Q CB 2.529 31.297 28.738 0.051 0.000 1.445 73 Q HN 0.421 nan 8.270 nan 0.000 0.411 74 E N 1.430 121.723 120.200 0.155 0.000 2.145 74 E HA 0.496 4.821 4.350 -0.041 0.000 0.270 74 E C -1.543 175.198 176.600 0.236 0.000 0.906 74 E CA -0.527 56.066 56.400 0.322 0.000 0.761 74 E CB 1.397 31.300 29.700 0.339 0.000 1.116 74 E HN 0.317 nan 8.360 nan 0.000 0.408 75 V N 3.398 123.460 119.914 0.247 0.000 2.656 75 V HA 0.389 4.484 4.120 -0.041 0.000 0.307 75 V C -0.290 175.897 176.094 0.156 0.000 1.051 75 V CA -0.765 61.632 62.300 0.163 0.000 0.893 75 V CB 2.210 34.108 31.823 0.124 0.000 0.999 75 V HN 0.708 nan 8.190 nan 0.000 0.426 76 T N 4.101 118.727 114.554 0.121 0.000 2.779 76 T HA 0.670 4.995 4.350 -0.041 0.000 0.280 76 T C -0.388 174.366 174.700 0.090 0.000 0.987 76 T CA -0.420 61.746 62.100 0.109 0.000 0.966 76 T CB 1.462 70.383 68.868 0.089 0.000 0.933 76 T HN 0.771 nan 8.240 nan 0.000 0.442 77 V N 0.577 120.554 119.914 0.105 0.000 2.914 77 V HA 0.904 4.999 4.120 -0.041 0.000 0.314 77 V C -0.192 175.964 176.094 0.102 0.000 1.084 77 V CA -0.976 61.374 62.300 0.083 0.000 0.963 77 V CB 2.129 33.987 31.823 0.058 0.000 1.025 77 V HN 0.744 nan 8.190 nan 0.000 0.432 78 S N 1.473 117.214 115.700 0.067 0.000 2.448 78 S HA 0.436 4.881 4.470 -0.041 0.000 0.320 78 S C 0.674 175.305 174.600 0.051 0.000 1.071 78 S CA -0.045 58.196 58.200 0.069 0.000 1.113 78 S CB 1.077 64.300 63.200 0.039 0.000 0.972 78 S HN 1.829 nan 8.310 nan 0.000 0.465 79 V N 3.577 123.537 119.914 0.076 0.000 3.041 79 V HA 0.054 4.149 4.120 -0.041 0.000 0.260 79 V C 1.840 177.944 176.094 0.015 0.000 1.105 79 V CA 1.583 63.891 62.300 0.012 0.000 1.125 79 V CB -1.460 30.350 31.823 -0.022 0.000 0.730 79 V HN 0.771 nan 8.190 nan 0.000 0.479 80 T N 1.656 116.229 114.554 0.032 0.000 2.770 80 T HA -0.056 4.269 4.350 -0.041 0.000 0.263 80 T C 1.680 176.384 174.700 0.006 0.000 1.039 80 T CA 1.970 64.080 62.100 0.016 0.000 1.142 80 T CB -0.354 68.522 68.868 0.013 0.000 0.868 80 T HN 0.560 nan 8.240 nan 0.000 0.435 81 N N 0.233 118.938 118.700 0.008 0.000 2.299 81 N HA 0.159 4.874 4.740 -0.041 0.000 0.187 81 N C 1.252 176.762 175.510 0.001 0.000 1.099 81 N CA 0.610 53.662 53.050 0.004 0.000 0.867 81 N CB 0.518 39.008 38.487 0.006 0.000 0.974 81 N HN 0.509 nan 8.380 nan 0.000 0.477 82 G N 1.739 110.538 108.800 -0.001 0.000 2.246 82 G HA2 -0.261 3.674 3.960 -0.041 0.000 0.273 82 G HA3 -0.261 3.674 3.960 -0.041 0.000 0.273 82 G C 0.131 175.030 174.900 -0.002 0.000 1.055 82 G CA 0.971 46.066 45.100 -0.008 0.000 0.851 82 G HN 0.512 nan 8.290 nan 0.000 0.500 83 T N -3.821 110.737 114.554 0.006 0.000 2.901 83 T HA 0.694 5.020 4.350 -0.041 0.000 0.293 83 T C -0.294 174.417 174.700 0.019 0.000 1.084 83 T CA -0.573 61.533 62.100 0.010 0.000 1.008 83 T CB 2.663 71.537 68.868 0.011 0.000 1.170 83 T HN 0.791 nan 8.240 nan 0.000 0.509 84 V N 3.470 123.396 119.914 0.020 0.000 2.368 84 V HA 0.182 4.277 4.120 -0.041 0.000 0.266 84 V C 1.195 177.308 176.094 0.031 0.000 1.045 84 V CA -0.657 61.661 62.300 0.030 0.000 0.899 84 V CB 0.179 32.019 31.823 0.028 0.000 1.006 84 V HN 0.795 nan 8.190 nan 0.000 0.470 85 I N 3.308 123.901 120.570 0.038 0.000 2.233 85 I HA -0.019 4.126 4.170 -0.041 0.000 0.243 85 I C 1.091 177.229 176.117 0.036 0.000 1.093 85 I CA 1.283 62.603 61.300 0.034 0.000 1.380 85 I CB -0.472 37.550 38.000 0.037 0.000 1.067 85 I HN 0.793 nan 8.210 nan 0.000 0.413 86 S N -0.594 115.134 115.700 0.046 0.000 2.547 86 S HA 0.801 5.246 4.470 -0.041 0.000 0.270 86 S C -0.909 173.727 174.600 0.061 0.000 1.150 86 S CA -0.622 57.607 58.200 0.048 0.000 0.850 86 S CB 2.518 65.747 63.200 0.048 0.000 1.118 86 S HN 0.301 nan 8.310 nan 0.000 0.461 87 A N 1.528 124.380 122.820 0.054 0.000 2.414 87 A HA 0.726 5.021 4.320 -0.041 0.000 0.286 87 A C -1.119 176.493 177.584 0.048 0.000 1.073 87 A CA -0.681 51.392 52.037 0.059 0.000 0.727 87 A CB 1.221 20.249 19.000 0.047 0.000 1.215 87 A HN 1.134 nan 8.150 nan 0.000 0.430 88 V N 2.762 122.710 119.914 0.057 0.000 2.459 88 V HA 0.372 4.467 4.120 -0.041 0.000 0.295 88 V C -0.137 175.963 176.094 0.010 0.000 1.029 88 V CA -0.812 61.508 62.300 0.034 0.000 0.874 88 V CB 1.764 33.613 31.823 0.043 0.000 0.985 88 V HN 0.872 nan 8.190 nan 0.000 0.438 89 E N 4.269 124.463 120.200 -0.010 0.000 2.324 89 E HA 0.319 4.644 4.350 -0.041 0.000 0.271 89 E C -0.730 175.828 176.600 -0.071 0.000 1.028 89 E CA -0.046 56.334 56.400 -0.034 0.000 0.890 89 E CB 1.342 31.024 29.700 -0.030 0.000 1.004 89 E HN 0.458 nan 8.360 nan 0.000 0.431 90 L N 2.587 123.740 121.223 -0.118 0.000 2.307 90 L HA 0.219 4.534 4.340 -0.041 0.000 0.282 90 L C 0.475 177.238 176.870 -0.178 0.000 1.051 90 L CA -0.624 54.091 54.840 -0.208 0.000 0.804 90 L CB 0.916 42.750 42.059 -0.375 0.000 1.197 90 L HN 0.302 nan 8.230 nan 0.000 0.431 91 D N 1.333 121.631 120.400 -0.171 0.000 2.485 91 D HA 0.086 4.701 4.640 -0.041 0.000 0.229 91 D C 1.237 177.443 176.300 -0.156 0.000 1.101 91 D CA -0.332 53.592 54.000 -0.126 0.000 0.906 91 D CB 1.298 42.047 40.800 -0.084 0.000 1.019 91 D HN 0.658 nan 8.370 nan 0.000 0.516 92 T N 0.593 115.047 114.554 -0.168 0.000 2.881 92 T HA -0.140 4.185 4.350 -0.041 0.000 0.270 92 T C 1.835 176.475 174.700 -0.101 0.000 1.068 92 T CA 0.997 62.995 62.100 -0.171 0.000 1.131 92 T CB -0.073 68.709 68.868 -0.143 0.000 0.871 92 T HN 0.250 nan 8.240 nan 0.000 0.479 93 A N 1.193 123.964 122.820 -0.081 0.000 2.067 93 A HA 0.458 4.753 4.320 -0.041 0.000 0.219 93 A C 2.610 180.153 177.584 -0.068 0.000 1.158 93 A CA 1.540 53.537 52.037 -0.067 0.000 0.661 93 A CB -0.966 18.000 19.000 -0.055 0.000 0.801 93 A HN 0.753 nan 8.150 nan 0.000 0.452 94 A N -0.910 121.875 122.820 -0.058 0.000 1.909 94 A HA 0.131 4.426 4.320 -0.041 0.000 0.209 94 A C 2.178 179.786 177.584 0.041 0.000 1.247 94 A CA 1.724 53.742 52.037 -0.032 0.000 0.660 94 A CB -0.719 18.262 19.000 -0.030 0.000 0.910 94 A HN 0.643 nan 8.150 nan 0.000 0.465 95 T N -3.263 111.302 114.554 0.017 0.000 3.086 95 T HA 0.474 4.799 4.350 -0.041 0.000 0.250 95 T C 0.861 175.641 174.700 0.133 0.000 1.074 95 T CA 0.836 62.983 62.100 0.079 0.000 0.988 95 T CB -0.099 68.749 68.868 -0.033 0.000 0.988 95 T HN 1.899 nan 8.240 nan 0.000 0.530 96 G N 0.742 109.589 108.800 0.078 0.000 2.587 96 G HA2 0.037 3.972 3.960 -0.041 0.000 0.686 96 G HA3 0.037 3.972 3.960 -0.041 0.000 0.686 96 G C -1.067 173.777 174.900 -0.094 0.000 1.236 96 G CA -1.025 44.117 45.100 0.070 0.000 0.820 96 G HN 0.228 nan 8.290 nan 0.000 0.645 97 E N -0.406 119.768 120.200 -0.044 0.000 2.371 97 E HA 0.482 4.807 4.350 -0.041 0.000 0.257 97 E C 1.092 177.681 176.600 -0.019 0.000 1.134 97 E CA -0.426 55.933 56.400 -0.068 0.000 0.919 97 E CB 0.840 30.517 29.700 -0.039 0.000 1.025 97 E HN 0.472 nan 8.360 nan 0.000 0.438 98 L N 1.901 123.110 121.223 -0.024 0.000 2.466 98 L HA 0.238 4.553 4.340 -0.041 0.000 0.257 98 L C -1.927 174.973 176.870 0.050 0.000 1.189 98 L CA -1.806 53.083 54.840 0.081 0.000 0.813 98 L CB -0.014 42.095 42.059 0.083 0.000 1.118 98 L HN 0.176 nan 8.230 nan 0.000 0.471 99 P HA -0.026 nan 4.420 nan 0.000 0.268 99 P C -0.640 176.654 177.300 -0.009 0.000 1.208 99 P CA -0.242 62.888 63.100 0.050 0.000 0.777 99 P CB 0.398 32.172 31.700 0.124 0.000 0.875 100 V N 3.558 123.443 119.914 -0.048 0.000 2.655 100 V HA -0.005 4.090 4.120 -0.041 0.000 0.300 100 V C 0.734 176.881 176.094 0.088 0.000 1.044 100 V CA 0.223 62.517 62.300 -0.010 0.000 1.095 100 V CB -0.265 31.522 31.823 -0.061 0.000 0.952 100 V HN 0.317 nan 8.190 nan 0.000 0.485 101 L N 3.389 124.638 121.223 0.042 0.000 2.334 101 L HA 0.324 4.639 4.340 -0.041 0.000 0.277 101 L C 1.580 178.415 176.870 -0.058 0.000 1.075 101 L CA -0.131 54.706 54.840 -0.006 0.000 0.804 101 L CB 1.025 43.051 42.059 -0.056 0.000 1.174 101 L HN 0.763 nan 8.230 nan 0.000 0.438 102 E N 1.822 121.903 120.200 -0.198 0.000 2.118 102 E HA -0.251 4.074 4.350 -0.041 0.000 0.195 102 E C 1.494 177.879 176.600 -0.358 0.000 0.992 102 E CA 1.747 57.809 56.400 -0.564 0.000 0.804 102 E CB 0.229 29.774 29.700 -0.257 0.000 0.741 102 E HN 0.790 nan 8.360 nan 0.000 0.458 103 E N 0.026 120.153 120.200 -0.121 0.000 2.409 103 E HA -0.176 4.149 4.350 -0.041 0.000 0.198 103 E C 1.507 178.149 176.600 0.070 0.000 1.024 103 E CA 0.892 57.287 56.400 -0.008 0.000 0.861 103 E CB -0.019 29.687 29.700 0.009 0.000 0.788 103 E HN 0.364 nan 8.360 nan 0.000 0.521 104 E N -0.225 120.038 120.200 0.106 0.000 2.299 104 E HA -0.037 4.288 4.350 -0.041 0.000 0.193 104 E C 1.152 177.952 176.600 0.332 0.000 0.998 104 E CA 0.110 56.623 56.400 0.188 0.000 0.851 104 E CB -0.014 29.784 29.700 0.162 0.000 0.795 104 E HN 0.228 nan 8.360 nan 0.000 0.492 105 F N 1.813 121.828 119.950 0.109 0.000 2.065 105 F HA -0.241 4.261 4.527 -0.041 0.000 0.298 105 F C 2.389 178.239 175.800 0.082 0.000 1.112 105 F CA 1.502 59.573 58.000 0.118 0.000 1.212 105 F CB -0.948 38.132 39.000 0.133 0.000 0.975 105 F HN 0.113 nan 8.300 nan 0.000 0.476 106 E N 0.796 121.171 120.200 0.292 0.000 2.110 106 E HA -0.179 4.146 4.350 -0.041 0.000 0.193 106 E C 2.235 178.901 176.600 0.110 0.000 0.988 106 E CA 1.688 58.189 56.400 0.168 0.000 0.804 106 E CB -0.124 29.657 29.700 0.134 0.000 0.745 106 E HN 0.288 nan 8.360 nan 0.000 0.458 107 V N -1.092 118.887 119.914 0.109 0.000 2.407 107 V HA -0.198 3.897 4.120 -0.041 0.000 0.248 107 V C 2.245 178.351 176.094 0.020 0.000 1.055 107 V CA 1.621 63.959 62.300 0.063 0.000 1.049 107 V CB -0.665 31.199 31.823 0.069 0.000 0.662 107 V HN 0.148 nan 8.190 nan 0.000 0.455 108 V N 0.876 120.803 119.914 0.023 0.000 2.255 108 V HA -0.308 3.787 4.120 -0.041 0.000 0.247 108 V C 2.765 178.787 176.094 -0.120 0.000 1.051 108 V CA 2.722 64.992 62.300 -0.051 0.000 1.018 108 V CB -0.862 30.943 31.823 -0.030 0.000 0.641 108 V HN 0.768 nan 8.190 nan 0.000 0.445 109 E N -0.220 119.945 120.200 -0.058 0.000 2.051 109 E HA -0.279 4.046 4.350 -0.041 0.000 0.192 109 E C 2.276 178.838 176.600 -0.063 0.000 0.991 109 E CA 1.614 57.975 56.400 -0.065 0.000 0.799 109 E CB -0.112 29.601 29.700 0.022 0.000 0.748 109 E HN 0.706 nan 8.360 nan 0.000 0.449 110 Q N 0.206 119.993 119.800 -0.021 0.000 2.084 110 Q HA -0.148 4.167 4.340 -0.041 0.000 0.202 110 Q C 2.493 178.471 176.000 -0.036 0.000 0.978 110 Q CA 1.264 57.063 55.803 -0.007 0.000 0.844 110 Q CB -0.087 28.662 28.738 0.018 0.000 0.898 110 Q HN 0.374 nan 8.270 nan 0.000 0.426 111 L N 0.390 121.574 121.223 -0.065 0.000 2.017 111 L HA -0.204 4.111 4.340 -0.041 0.000 0.208 111 L C 2.338 179.128 176.870 -0.133 0.000 1.073 111 L CA 1.011 55.803 54.840 -0.079 0.000 0.745 111 L CB -0.384 41.626 42.059 -0.082 0.000 0.894 111 L HN 0.267 nan 8.230 nan 0.000 0.432 112 L N -0.422 120.635 121.223 -0.277 0.000 2.131 112 L HA -0.185 4.130 4.340 -0.041 0.000 0.210 112 L C 2.754 179.505 176.870 -0.199 0.000 1.092 112 L CA 0.965 55.507 54.840 -0.497 0.000 0.759 112 L CB -0.717 40.573 42.059 -1.282 0.000 0.903 112 L HN 0.244 nan 8.230 nan 0.000 0.435 113 A N -0.205 122.577 122.820 -0.063 0.000 2.131 113 A HA -0.174 4.121 4.320 -0.041 0.000 0.220 113 A C 2.157 179.799 177.584 0.097 0.000 1.158 113 A CA 2.011 54.111 52.037 0.105 0.000 0.665 113 A CB -0.702 18.343 19.000 0.075 0.000 0.795 113 A HN 0.535 nan 8.150 nan 0.000 0.460 114 T N -3.737 110.846 114.554 0.048 0.000 3.044 114 T HA 0.149 4.474 4.350 -0.041 0.000 0.260 114 T C 0.192 174.922 174.700 0.050 0.000 1.019 114 T CA 0.070 62.197 62.100 0.046 0.000 0.921 114 T CB -0.064 68.817 68.868 0.023 0.000 1.053 114 T HN 0.332 nan 8.240 nan 0.000 0.533 115 D N 1.616 122.056 120.400 0.067 0.000 2.295 115 D HA 0.092 4.707 4.640 -0.041 0.000 0.248 115 D C 0.643 177.014 176.300 0.120 0.000 1.154 115 D CA -0.205 53.840 54.000 0.075 0.000 0.857 115 D CB 1.344 42.178 40.800 0.055 0.000 1.117 115 D HN 0.031 nan 8.370 nan 0.000 0.468 116 E N 3.787 124.031 120.200 0.074 0.000 2.118 116 E HA -0.193 4.132 4.350 -0.041 0.000 0.195 116 E C 1.860 178.500 176.600 0.066 0.000 0.992 116 E CA 1.036 57.472 56.400 0.060 0.000 0.804 116 E CB 0.017 29.737 29.700 0.033 0.000 0.741 116 E HN 0.577 nan 8.360 nan 0.000 0.458 117 R N -0.101 120.445 120.500 0.077 0.000 2.073 117 R HA -0.094 4.222 4.340 -0.041 0.000 0.234 117 R C 2.320 178.686 176.300 0.110 0.000 1.134 117 R CA 1.385 57.527 56.100 0.069 0.000 0.952 117 R CB -0.407 29.929 30.300 0.060 0.000 0.850 117 R HN 0.346 nan 8.270 nan 0.000 0.433 118 W N 1.573 122.850 121.300 -0.038 0.000 2.355 118 W HA -0.154 4.498 4.660 -0.015 0.000 0.309 118 W C 1.485 177.988 176.519 -0.026 0.000 1.206 118 W CA 1.305 58.629 57.345 -0.035 0.000 1.284 118 W CB -0.152 29.290 29.460 -0.030 0.000 1.145 118 W HN 0.089 nan 8.180 nan 0.000 0.502 119 L N 0.791 122.091 121.223 0.128 0.000 2.083 119 L HA -0.245 4.070 4.340 -0.041 0.000 0.209 119 L C 2.563 179.395 176.870 -0.064 0.000 1.083 119 L CA 1.471 56.321 54.840 0.016 0.000 0.752 119 L CB -0.787 41.313 42.059 0.068 0.000 0.899 119 L HN -0.109 nan 8.230 nan 0.000 0.433 120 K N 0.072 120.446 120.400 -0.044 0.000 2.057 120 K HA -0.121 4.174 4.320 -0.041 0.000 0.206 120 K C 2.274 178.807 176.600 -0.111 0.000 1.050 120 K CA 1.306 57.557 56.287 -0.060 0.000 0.935 120 K CB -0.251 32.227 32.500 -0.035 0.000 0.715 120 K HN 0.272 nan 8.250 nan 0.000 0.439 121 A N 1.494 124.216 122.820 -0.164 0.000 1.902 121 A HA -0.128 4.167 4.320 -0.041 0.000 0.217 121 A C 2.104 179.520 177.584 -0.280 0.000 1.181 121 A CA 1.255 53.155 52.037 -0.228 0.000 0.623 121 A CB -0.583 18.229 19.000 -0.313 0.000 0.818 121 A HN 0.146 nan 8.150 nan 0.000 0.443 122 L N -1.060 119.952 121.223 -0.353 0.000 2.109 122 L HA -0.125 4.190 4.340 -0.041 0.000 0.207 122 L C 3.090 179.859 176.870 -0.169 0.000 1.086 122 L CA 0.936 55.594 54.840 -0.303 0.000 0.760 122 L CB -0.672 41.192 42.059 -0.324 0.000 0.910 122 L HN 0.435 nan 8.230 nan 0.000 0.437 123 A N 0.433 123.175 122.820 -0.129 0.000 1.902 123 A HA -0.170 4.125 4.320 -0.041 0.000 0.217 123 A C 2.532 180.069 177.584 -0.078 0.000 1.181 123 A CA 1.723 53.710 52.037 -0.082 0.000 0.623 123 A CB -0.637 18.327 19.000 -0.060 0.000 0.818 123 A HN 0.391 nan 8.150 nan 0.000 0.443 124 A N -0.397 122.370 122.820 -0.089 0.000 2.019 124 A HA -0.129 4.166 4.320 -0.041 0.000 0.219 124 A C 2.118 179.656 177.584 -0.077 0.000 1.164 124 A CA 1.447 53.438 52.037 -0.077 0.000 0.644 124 A CB -0.344 18.608 19.000 -0.080 0.000 0.805 124 A HN 0.555 nan 8.150 nan 0.000 0.449 125 R N -0.689 119.755 120.500 -0.094 0.000 2.334 125 R HA 0.096 4.411 4.340 -0.041 0.000 0.216 125 R C -0.319 175.938 176.300 -0.073 0.000 0.905 125 R CA 0.188 56.237 56.100 -0.085 0.000 1.064 125 R CB 0.085 30.321 30.300 -0.106 0.000 1.046 125 R HN 0.476 nan 8.270 nan 0.000 0.508 126 N N 0.998 119.657 118.700 -0.070 0.000 2.740 126 N HA -0.180 4.535 4.740 -0.041 0.000 0.248 126 N C -1.080 174.396 175.510 -0.057 0.000 1.062 126 N CA 0.936 53.953 53.050 -0.055 0.000 0.704 126 N CB -1.278 37.183 38.487 -0.043 0.000 0.968 126 N HN 0.269 nan 8.380 nan 0.000 0.547 127 L N 0.241 121.420 121.223 -0.072 0.000 2.296 127 L HA 0.318 4.633 4.340 -0.041 0.000 0.286 127 L C 0.693 177.533 176.870 -0.050 0.000 1.023 127 L CA -0.804 53.996 54.840 -0.068 0.000 0.812 127 L CB 1.585 43.586 42.059 -0.095 0.000 1.223 127 L HN -0.053 nan 8.230 nan 0.000 0.421 128 D N 2.324 122.707 120.400 -0.028 0.000 2.358 128 D HA -0.025 4.591 4.640 -0.041 0.000 0.258 128 D C 0.916 177.220 176.300 0.006 0.000 1.223 128 D CA 0.192 54.187 54.000 -0.008 0.000 0.886 128 D CB 1.904 42.704 40.800 0.001 0.000 1.120 128 D HN 0.338 nan 8.370 nan 0.000 0.482 129 V N 4.192 124.119 119.914 0.021 0.000 2.453 129 V HA -0.279 3.816 4.120 -0.041 0.000 0.252 129 V C 2.132 178.271 176.094 0.075 0.000 1.068 129 V CA 2.907 65.246 62.300 0.064 0.000 1.070 129 V CB -0.422 31.456 31.823 0.092 0.000 0.664 129 V HN 0.723 nan 8.190 nan 0.000 0.461 130 S N -1.191 114.540 115.700 0.051 0.000 2.515 130 S HA -0.084 4.361 4.470 -0.041 0.000 0.231 130 S C 1.683 176.308 174.600 0.042 0.000 0.987 130 S CA 1.035 59.264 58.200 0.048 0.000 0.936 130 S CB -0.357 62.866 63.200 0.038 0.000 0.766 130 S HN 0.752 nan 8.310 nan 0.000 0.528 131 K N 0.681 121.101 120.400 0.034 0.000 2.358 131 K HA 0.290 4.586 4.320 -0.041 0.000 0.197 131 K C -0.663 175.951 176.600 0.024 0.000 1.025 131 K CA -0.049 56.251 56.287 0.021 0.000 1.104 131 K CB 0.867 33.372 32.500 0.008 0.000 0.855 131 K HN 0.212 nan 8.250 nan 0.000 0.531 132 V N 3.463 123.410 119.914 0.054 0.000 2.348 132 V HA 0.186 4.281 4.120 -0.041 0.000 0.270 132 V C 0.180 176.341 176.094 0.111 0.000 1.037 132 V CA -0.702 61.649 62.300 0.084 0.000 0.872 132 V CB 0.708 32.603 31.823 0.121 0.000 1.002 132 V HN 0.153 nan 8.190 nan 0.000 0.464 133 R N 3.397 123.944 120.500 0.079 0.000 2.459 133 R HA 0.608 4.923 4.340 -0.041 0.000 0.281 133 R C -0.797 175.588 176.300 0.141 0.000 1.050 133 R CA -0.479 55.657 56.100 0.060 0.000 1.055 133 R CB 1.782 32.048 30.300 -0.056 0.000 1.045 133 R HN 0.450 nan 8.270 nan 0.000 0.495 134 V N 1.966 121.955 119.914 0.126 0.000 2.483 134 V HA 0.390 4.486 4.120 -0.041 0.000 0.297 134 V C 0.095 176.274 176.094 0.141 0.000 1.027 134 V CA -1.226 61.174 62.300 0.167 0.000 0.855 134 V CB 1.641 33.510 31.823 0.076 0.000 0.995 134 V HN 0.857 nan 8.190 nan 0.000 0.424 135 A N 7.152 130.118 122.820 0.244 0.000 2.409 135 A HA 0.659 4.954 4.320 -0.041 0.000 0.267 135 A C -2.469 175.205 177.584 0.149 0.000 1.127 135 A CA -1.233 50.934 52.037 0.216 0.000 0.795 135 A CB 0.118 19.392 19.000 0.456 0.000 1.061 135 A HN 0.628 nan 8.150 nan 0.000 0.502 136 P HA 0.263 nan 4.420 nan 0.000 0.262 136 P C -0.856 176.474 177.300 0.049 0.000 1.620 136 P CA -0.174 62.914 63.100 -0.020 0.000 1.089 136 P CB 0.330 31.940 31.700 -0.150 0.000 1.601 137 L N 1.847 123.171 121.223 0.168 0.000 2.357 137 L HA 0.363 4.678 4.340 -0.041 0.000 0.273 137 L C 1.160 178.192 176.870 0.271 0.000 1.080 137 L CA -0.464 54.547 54.840 0.287 0.000 0.803 137 L CB 0.663 42.988 42.059 0.444 0.000 1.174 137 L HN 0.282 nan 8.230 nan 0.000 0.443 138 S N 0.722 116.639 115.700 0.362 0.000 2.576 138 S HA 0.332 4.777 4.470 -0.041 0.000 0.272 138 S C 1.020 175.764 174.600 0.240 0.000 1.352 138 S CA 0.013 58.355 58.200 0.236 0.000 1.021 138 S CB 0.899 64.266 63.200 0.280 0.000 0.887 138 S HN 0.729 nan 8.310 nan 0.000 0.542 139 A N 2.380 125.277 122.820 0.129 0.000 1.850 139 A HA 0.587 4.882 4.320 -0.041 0.000 0.212 139 A C 1.508 179.260 177.584 0.281 0.000 1.208 139 A CA 0.908 52.985 52.037 0.068 0.000 0.609 139 A CB -1.539 17.445 19.000 -0.027 0.000 0.860 139 A HN 2.370 nan 8.150 nan 0.000 0.448 140 G N -2.521 106.429 108.800 0.251 0.000 2.512 140 G HA2 0.099 4.034 3.960 -0.041 0.000 0.210 140 G HA3 0.099 4.034 3.960 -0.041 0.000 0.210 140 G C -0.669 174.269 174.900 0.064 0.000 1.295 140 G CA -0.335 44.921 45.100 0.260 0.000 0.934 140 G HN 1.250 nan 8.290 nan 0.000 0.554 141 V N 0.974 120.710 119.914 -0.297 0.000 2.532 141 V HA 0.740 4.835 4.120 -0.041 0.000 0.294 141 V C -0.418 175.204 176.094 -0.786 0.000 1.036 141 V CA -0.358 61.732 62.300 -0.350 0.000 0.876 141 V CB 1.035 32.684 31.823 -0.290 0.000 1.012 141 V HN 0.805 nan 8.190 nan 0.000 0.432 142 F N 1.641 121.496 119.950 -0.158 0.000 3.305 142 F HA 0.458 4.961 4.527 -0.039 0.000 0.292 142 F C 1.425 177.062 175.800 -0.272 0.000 1.516 142 F CA -0.696 57.156 58.000 -0.247 0.000 1.010 142 F CB 0.365 39.127 39.000 -0.396 0.000 1.738 142 F HN 0.437 nan 8.300 nan 0.000 0.402 143 E N 0.876 120.979 120.200 -0.161 0.000 2.463 143 E HA -0.054 4.272 4.350 -0.041 0.000 0.191 143 E C -0.821 175.793 176.600 0.024 0.000 1.083 143 E CA 0.231 56.575 56.400 -0.093 0.000 0.872 143 E CB -1.030 28.644 29.700 -0.043 0.000 0.966 143 E HN 0.694 nan 8.360 nan 0.000 0.491 144 Y N 0.869 121.225 120.300 0.094 0.000 2.636 144 Y HA 0.385 4.910 4.550 -0.041 0.000 0.341 144 Y C 1.685 177.603 175.900 0.030 0.000 1.169 144 Y CA -0.490 57.646 58.100 0.060 0.000 1.498 144 Y CB 0.795 39.277 38.460 0.036 0.000 1.362 144 Y HN 0.105 nan 8.280 nan 0.000 0.494 145 A N 2.108 125.032 122.820 0.173 0.000 1.978 145 A HA -0.218 4.077 4.320 -0.041 0.000 0.220 145 A C 2.135 179.761 177.584 0.071 0.000 1.170 145 A CA 1.761 53.851 52.037 0.090 0.000 0.636 145 A CB -0.213 18.826 19.000 0.066 0.000 0.810 145 A HN 0.773 nan 8.150 nan 0.000 0.448 146 E N 0.624 120.872 120.200 0.081 0.000 2.427 146 E HA -0.152 4.173 4.350 -0.041 0.000 0.196 146 E C 1.131 177.755 176.600 0.039 0.000 1.028 146 E CA 1.126 57.554 56.400 0.046 0.000 0.864 146 E CB -0.406 29.314 29.700 0.033 0.000 0.813 146 E HN 0.780 nan 8.360 nan 0.000 0.514 147 E N 1.490 121.728 120.200 0.063 0.000 2.230 147 E HA -0.031 4.294 4.350 -0.041 0.000 0.192 147 E C 0.642 177.253 176.600 0.017 0.000 0.987 147 E CA 0.001 56.426 56.400 0.042 0.000 0.841 147 E CB -0.115 29.628 29.700 0.072 0.000 0.783 147 E HN 0.295 nan 8.360 nan 0.000 0.481 148 R N 0.718 121.226 120.500 0.014 0.000 2.480 148 R HA 0.116 4.431 4.340 -0.041 0.000 0.303 148 R C 0.706 176.997 176.300 -0.014 0.000 0.985 148 R CA 0.888 56.980 56.100 -0.012 0.000 1.051 148 R CB 0.115 30.403 30.300 -0.020 0.000 0.935 148 R HN 0.215 nan 8.270 nan 0.000 0.410 149 G N 2.896 111.682 108.800 -0.023 0.000 2.232 149 G HA2 -0.267 3.669 3.960 -0.041 0.000 0.226 149 G HA3 -0.267 3.669 3.960 -0.041 0.000 0.226 149 G C -0.007 174.885 174.900 -0.014 0.000 0.996 149 G CA -0.149 44.938 45.100 -0.022 0.000 0.626 149 G HN 0.617 nan 8.290 nan 0.000 0.509 150 R N 0.204 120.699 120.500 -0.008 0.000 2.460 150 R HA 0.598 4.913 4.340 -0.041 0.000 0.303 150 R C 0.134 176.433 176.300 -0.001 0.000 0.968 150 R CA -0.886 55.213 56.100 -0.001 0.000 0.889 150 R CB 1.506 31.807 30.300 0.001 0.000 1.123 150 R HN 0.186 nan 8.270 nan 0.000 0.455 151 R N 3.878 124.384 120.500 0.010 0.000 2.220 151 R HA 0.264 4.580 4.340 -0.041 0.000 0.340 151 R C -0.636 175.664 176.300 0.001 0.000 1.076 151 R CA 0.010 56.116 56.100 0.010 0.000 0.920 151 R CB 0.180 30.505 30.300 0.042 0.000 1.062 151 R HN 0.556 nan 8.270 nan 0.000 0.469 152 I N 5.173 125.734 120.570 -0.014 0.000 2.693 152 I HA 0.419 4.564 4.170 -0.041 0.000 0.303 152 I C -0.426 175.670 176.117 -0.036 0.000 1.025 152 I CA -1.112 60.170 61.300 -0.030 0.000 1.086 152 I CB 1.999 39.966 38.000 -0.055 0.000 1.268 152 I HN 0.466 nan 8.210 nan 0.000 0.440 153 L N 4.329 125.525 121.223 -0.044 0.000 2.422 153 L HA 0.561 4.877 4.340 -0.041 0.000 0.264 153 L C -0.759 176.062 176.870 -0.081 0.000 0.984 153 L CA -0.799 54.018 54.840 -0.037 0.000 0.819 153 L CB 2.515 44.578 42.059 0.007 0.000 1.330 153 L HN 0.541 nan 8.230 nan 0.000 0.410 154 R N 0.500 120.927 120.500 -0.121 0.000 2.668 154 R HA 0.729 5.045 4.340 -0.041 0.000 0.279 154 R C -0.238 176.057 176.300 -0.009 0.000 0.976 154 R CA -0.779 55.220 56.100 -0.169 0.000 0.978 154 R CB 2.024 31.911 30.300 -0.689 0.000 1.133 154 R HN 0.749 nan 8.270 nan 0.000 0.484 155 G N 1.976 110.793 108.800 0.028 0.000 2.530 155 G HA2 0.587 4.522 3.960 -0.041 0.000 0.316 155 G HA3 0.587 4.522 3.960 -0.041 0.000 0.316 155 G C -0.995 174.046 174.900 0.235 0.000 1.298 155 G CA -0.585 44.563 45.100 0.079 0.000 0.948 155 G HN 0.274 nan 8.290 nan 0.000 0.486 156 L N 1.662 123.082 121.223 0.330 0.000 2.362 156 L HA 0.694 5.009 4.340 -0.041 0.000 0.275 156 L C 0.486 177.488 176.870 0.219 0.000 0.998 156 L CA -0.986 54.045 54.840 0.320 0.000 0.820 156 L CB 2.167 44.495 42.059 0.448 0.000 1.270 156 L HN 0.639 nan 8.230 nan 0.000 0.415 157 A N 3.196 126.050 122.820 0.057 0.000 2.304 157 A HA 0.849 5.144 4.320 -0.041 0.000 0.301 157 A C -1.148 176.143 177.584 -0.489 0.000 1.132 157 A CA -0.136 51.900 52.037 -0.001 0.000 0.819 157 A CB 0.471 19.545 19.000 0.124 0.000 1.094 157 A HN 0.516 nan 8.150 nan 0.000 0.492 158 F N 0.581 120.496 119.950 -0.058 0.000 2.581 158 F HA 0.446 4.950 4.527 -0.039 0.000 0.311 158 F C -0.165 175.578 175.800 -0.095 0.000 1.113 158 F CA -0.700 57.218 58.000 -0.137 0.000 0.935 158 F CB 2.333 41.119 39.000 -0.357 0.000 1.232 158 F HN 0.318 nan 8.300 nan 0.000 0.445 159 V N 2.459 122.447 119.914 0.123 0.000 2.465 159 V HA 0.332 4.427 4.120 -0.041 0.000 0.279 159 V C -0.381 175.764 176.094 0.086 0.000 1.045 159 V CA -0.578 61.761 62.300 0.065 0.000 0.938 159 V CB 1.397 33.219 31.823 -0.002 0.000 0.986 159 V HN 0.768 nan 8.190 nan 0.000 0.467 160 Q N 2.927 122.726 119.800 -0.002 0.000 2.381 160 Q HA 0.242 4.557 4.340 -0.041 0.000 0.263 160 Q C 0.081 176.033 176.000 -0.080 0.000 1.030 160 Q CA -0.616 55.146 55.803 -0.069 0.000 0.772 160 Q CB 1.231 29.899 28.738 -0.117 0.000 1.232 160 Q HN 0.771 nan 8.270 nan 0.000 0.476 161 D N 3.501 123.842 120.400 -0.098 0.000 2.178 161 D HA -0.038 4.577 4.640 -0.041 0.000 0.201 161 D C 0.124 176.538 176.300 0.190 0.000 0.980 161 D CA 1.309 55.332 54.000 0.038 0.000 0.842 161 D CB 0.094 40.995 40.800 0.170 0.000 0.948 161 D HN 0.452 nan 8.370 nan 0.000 0.472 162 F N -4.146 115.805 119.950 0.001 0.000 2.713 162 F HA 0.353 4.851 4.527 -0.049 0.000 0.311 162 F C -2.261 173.534 175.800 -0.008 0.000 1.141 162 F CA -1.983 56.013 58.000 -0.007 0.000 0.939 162 F CB 0.501 39.491 39.000 -0.017 0.000 1.325 162 F HN -0.408 nan 8.300 nan 0.000 0.453 163 P HA -0.233 nan 4.420 nan 0.000 0.218 163 P C 0.288 177.584 177.300 -0.007 0.000 1.154 163 P CA 2.155 65.290 63.100 0.060 0.000 0.872 163 P CB 0.184 31.944 31.700 0.100 0.000 0.790 164 E N -0.966 119.273 120.200 0.065 0.000 2.444 164 E HA 0.097 4.422 4.350 -0.041 0.000 0.191 164 E C 0.080 176.509 176.600 -0.285 0.000 1.041 164 E CA -0.145 56.247 56.400 -0.013 0.000 0.883 164 E CB -0.554 29.235 29.700 0.148 0.000 1.024 164 E HN 0.307 nan 8.360 nan 0.000 0.470 165 D N 0.077 120.007 120.400 -0.784 0.000 2.345 165 D HA 0.061 4.677 4.640 -0.041 0.000 0.247 165 D C -0.491 175.566 176.300 -0.405 0.000 1.108 165 D CA -0.107 53.330 54.000 -0.937 0.000 0.894 165 D CB 0.948 40.886 40.800 -1.437 0.000 1.203 165 D HN -0.123 nan 8.370 nan 0.000 0.430 166 S N 2.558 118.099 115.700 -0.265 0.000 2.416 166 S HA 0.392 4.837 4.470 -0.041 0.000 0.302 166 S C 1.109 175.623 174.600 -0.144 0.000 1.120 166 S CA -0.227 57.898 58.200 -0.125 0.000 1.067 166 S CB 0.201 63.380 63.200 -0.034 0.000 1.057 166 S HN 0.514 nan 8.310 nan 0.000 0.518 167 A N 5.022 127.660 122.820 -0.303 0.000 2.019 167 A HA -0.041 4.254 4.320 -0.041 0.000 0.219 167 A C 1.441 178.857 177.584 -0.281 0.000 1.164 167 A CA 0.970 52.827 52.037 -0.300 0.000 0.644 167 A CB -0.757 17.970 19.000 -0.454 0.000 0.805 167 A HN 0.995 nan 8.150 nan 0.000 0.449 168 W N -0.173 121.067 121.300 -0.099 0.000 2.387 168 W HA -0.019 4.621 4.660 -0.033 0.000 0.272 168 W C 2.383 179.007 176.519 0.175 0.000 1.224 168 W CA 0.782 58.069 57.345 -0.097 0.000 1.210 168 W CB -0.150 29.254 29.460 -0.093 0.000 1.125 168 W HN 0.375 nan 8.180 nan 0.000 0.572 169 A N -0.619 122.364 122.820 0.272 0.000 2.167 169 A HA -0.061 4.234 4.320 -0.041 0.000 0.214 169 A C 0.223 177.664 177.584 -0.239 0.000 1.151 169 A CA 0.791 52.897 52.037 0.114 0.000 0.735 169 A CB -0.826 18.157 19.000 -0.027 0.000 0.802 169 A HN 0.487 nan 8.150 nan 0.000 0.467 170 H N -0.123 119.073 119.070 0.210 0.000 2.355 170 H HA 0.249 4.795 4.556 -0.017 0.000 0.232 170 H C -2.747 172.618 175.328 0.063 0.000 1.422 170 H CA -2.062 54.053 56.048 0.111 0.000 1.261 170 H CB 0.441 30.245 29.762 0.070 0.000 1.595 170 H HN 0.304 nan 8.280 nan 0.000 0.529 171 P HA -0.016 nan 4.420 nan 0.000 0.271 171 P C -0.004 177.140 177.300 -0.259 0.000 1.218 171 P CA -0.184 62.739 63.100 -0.294 0.000 0.780 171 P CB 2.089 33.655 31.700 -0.224 0.000 0.901 172 V N 3.268 122.947 119.914 -0.393 0.000 2.257 172 V HA 0.150 4.245 4.120 -0.041 0.000 0.269 172 V C 0.659 176.610 176.094 -0.239 0.000 1.040 172 V CA -0.317 61.840 62.300 -0.238 0.000 0.813 172 V CB 0.293 31.979 31.823 -0.228 0.000 1.065 172 V HN 0.539 nan 8.190 nan 0.000 0.457 173 D N 2.994 123.261 120.400 -0.222 0.000 2.377 173 D HA 0.357 4.972 4.640 -0.041 0.000 0.245 173 D C 1.348 177.524 176.300 -0.207 0.000 1.196 173 D CA 1.387 55.175 54.000 -0.353 0.000 0.962 173 D CB 1.662 42.028 40.800 -0.724 0.000 1.127 173 D HN 0.749 nan 8.370 nan 0.000 0.471 174 G N 0.070 108.706 108.800 -0.273 0.000 2.155 174 G HA2 -0.223 3.712 3.960 -0.041 0.000 0.257 174 G HA3 -0.223 3.712 3.960 -0.041 0.000 0.257 174 G C -0.102 174.824 174.900 0.043 0.000 0.983 174 G CA 0.702 45.844 45.100 0.070 0.000 0.676 174 G HN 0.457 nan 8.290 nan 0.000 0.528 175 L N -0.322 120.892 121.223 -0.015 0.000 2.464 175 L HA 0.906 5.222 4.340 -0.041 0.000 0.266 175 L C -0.761 176.168 176.870 0.099 0.000 0.965 175 L CA -1.032 53.804 54.840 -0.007 0.000 0.833 175 L CB 2.412 44.390 42.059 -0.137 0.000 1.296 175 L HN 0.653 nan 8.230 nan 0.000 0.405 176 V N 3.913 123.919 119.914 0.154 0.000 3.000 176 V HA 0.970 5.065 4.120 -0.041 0.000 0.300 176 V C -1.424 174.720 176.094 0.084 0.000 1.251 176 V CA 0.353 62.782 62.300 0.215 0.000 0.972 176 V CB 2.071 34.054 31.823 0.266 0.000 1.065 176 V HN 1.219 nan 8.190 nan 0.000 0.431 177 A N 4.839 127.699 122.820 0.067 0.000 2.469 177 A HA 0.989 5.284 4.320 -0.041 0.000 0.299 177 A C -2.092 175.472 177.584 -0.034 0.000 1.098 177 A CA -0.482 51.478 52.037 -0.128 0.000 0.737 177 A CB 1.828 20.737 19.000 -0.151 0.000 1.312 177 A HN 0.887 nan 8.150 nan 0.000 0.414 178 Y N 0.137 120.319 120.300 -0.197 0.000 2.364 178 Y HA 0.569 5.095 4.550 -0.040 0.000 0.340 178 Y C 0.148 175.943 175.900 -0.175 0.000 0.975 178 Y CA -1.570 56.394 58.100 -0.225 0.000 1.089 178 Y CB 1.784 40.084 38.460 -0.267 0.000 1.192 178 Y HN 0.798 nan 8.280 nan 0.000 0.454 179 V N -0.356 119.562 119.914 0.007 0.000 2.709 179 V HA 0.567 4.662 4.120 -0.041 0.000 0.308 179 V C -0.851 175.232 176.094 -0.018 0.000 1.062 179 V CA -0.851 61.431 62.300 -0.031 0.000 0.901 179 V CB 2.315 34.096 31.823 -0.070 0.000 1.003 179 V HN 0.724 nan 8.190 nan 0.000 0.425 180 D N 3.662 124.054 120.400 -0.012 0.000 2.380 180 D HA 0.209 4.824 4.640 -0.041 0.000 0.230 180 D C 1.190 177.494 176.300 0.007 0.000 1.154 180 D CA 0.202 54.201 54.000 -0.002 0.000 0.859 180 D CB 1.828 42.628 40.800 0.000 0.000 1.045 180 D HN 0.812 nan 8.370 nan 0.000 0.495 181 V N 2.359 122.284 119.914 0.018 0.000 3.141 181 V HA -0.092 4.003 4.120 -0.041 0.000 0.265 181 V C 1.680 177.809 176.094 0.058 0.000 1.126 181 V CA 0.624 62.945 62.300 0.036 0.000 1.141 181 V CB -0.351 31.500 31.823 0.048 0.000 0.743 181 V HN 0.369 nan 8.190 nan 0.000 0.492 182 V N 1.662 121.611 119.914 0.058 0.000 2.374 182 V HA -0.075 4.020 4.120 -0.041 0.000 0.241 182 V C 2.819 178.933 176.094 0.034 0.000 1.034 182 V CA 1.975 64.313 62.300 0.063 0.000 1.037 182 V CB -0.081 31.781 31.823 0.065 0.000 0.682 182 V HN 0.748 nan 8.190 nan 0.000 0.463 183 S N -0.897 114.815 115.700 0.021 0.000 2.561 183 S HA -0.028 4.417 4.470 -0.041 0.000 0.225 183 S C 0.866 175.472 174.600 0.009 0.000 0.977 183 S CA 0.193 58.400 58.200 0.011 0.000 0.926 183 S CB -0.459 62.745 63.200 0.005 0.000 0.769 183 S HN 0.576 nan 8.310 nan 0.000 0.533 184 K N 1.575 121.983 120.400 0.012 0.000 3.244 184 K HA -0.170 4.125 4.320 -0.041 0.000 0.270 184 K C -0.609 175.987 176.600 -0.006 0.000 1.016 184 K CA 1.149 57.439 56.287 0.006 0.000 0.754 184 K CB -1.731 30.776 32.500 0.012 0.000 1.326 184 K HN 0.935 nan 8.250 nan 0.000 0.465 185 E N -1.356 118.837 120.200 -0.012 0.000 2.340 185 E HA 0.438 4.763 4.350 -0.041 0.000 0.273 185 E C -0.572 176.009 176.600 -0.031 0.000 0.891 185 E CA -1.243 55.146 56.400 -0.019 0.000 0.757 185 E CB 1.863 31.556 29.700 -0.012 0.000 1.231 185 E HN -0.060 nan 8.360 nan 0.000 0.439 186 V N 2.900 122.789 119.914 -0.042 0.000 2.389 186 V HA 0.030 4.125 4.120 -0.041 0.000 0.264 186 V C 1.432 177.499 176.094 -0.045 0.000 1.049 186 V CA 0.491 62.756 62.300 -0.059 0.000 0.932 186 V CB 0.504 32.282 31.823 -0.074 0.000 1.011 186 V HN 0.992 nan 8.190 nan 0.000 0.475 187 T N 2.861 117.393 114.554 -0.036 0.000 2.942 187 T HA 0.139 4.464 4.350 -0.041 0.000 0.265 187 T C 0.783 175.437 174.700 -0.075 0.000 1.062 187 T CA 0.480 62.560 62.100 -0.034 0.000 1.139 187 T CB 0.251 69.114 68.868 -0.007 0.000 0.883 187 T HN 0.550 nan 8.240 nan 0.000 0.468 188 R N -0.647 119.774 120.500 -0.133 0.000 2.629 188 R HA 0.637 4.952 4.340 -0.041 0.000 0.266 188 R C -2.223 173.892 176.300 -0.308 0.000 1.051 188 R CA -0.710 55.239 56.100 -0.252 0.000 0.895 188 R CB 2.776 32.827 30.300 -0.414 0.000 1.246 188 R HN 0.039 nan 8.270 nan 0.000 0.459 189 V N 4.132 123.916 119.914 -0.216 0.000 2.447 189 V HA 0.461 4.556 4.120 -0.041 0.000 0.292 189 V C -0.497 175.517 176.094 -0.134 0.000 1.021 189 V CA -0.550 61.684 62.300 -0.110 0.000 0.850 189 V CB 1.721 33.573 31.823 0.049 0.000 1.005 189 V HN 0.562 nan 8.190 nan 0.000 0.426 190 I N 4.138 124.608 120.570 -0.167 0.000 2.339 190 I HA 0.471 4.616 4.170 -0.041 0.000 0.290 190 I C -0.635 175.460 176.117 -0.036 0.000 0.994 190 I CA -0.163 61.068 61.300 -0.114 0.000 1.191 190 I CB 1.638 39.549 38.000 -0.148 0.000 1.343 190 I HN 0.491 nan 8.210 nan 0.000 0.458 191 D N 4.744 125.130 120.400 -0.023 0.000 2.469 191 D HA 0.162 4.777 4.640 -0.041 0.000 0.251 191 D C 0.729 177.039 176.300 0.017 0.000 1.173 191 D CA -0.292 53.703 54.000 -0.009 0.000 0.882 191 D CB 1.658 42.437 40.800 -0.035 0.000 1.129 191 D HN 0.641 nan 8.370 nan 0.000 0.549 192 T N 0.348 114.939 114.554 0.061 0.000 3.107 192 T HA 0.491 4.816 4.350 -0.041 0.000 0.249 192 T C 0.864 175.617 174.700 0.089 0.000 1.096 192 T CA 0.260 62.410 62.100 0.083 0.000 1.012 192 T CB 0.259 69.201 68.868 0.123 0.000 0.977 192 T HN 0.561 nan 8.240 nan 0.000 0.527 193 G N 0.180 109.025 108.800 0.075 0.000 2.317 193 G HA2 0.290 4.225 3.960 -0.041 0.000 0.445 193 G HA3 0.290 4.225 3.960 -0.041 0.000 0.445 193 G C -1.334 173.565 174.900 -0.002 0.000 1.486 193 G CA -0.725 44.360 45.100 -0.024 0.000 0.991 193 G HN 0.305 nan 8.290 nan 0.000 0.660 194 V N 0.750 120.583 119.914 -0.135 0.000 2.583 194 V HA 0.677 4.772 4.120 -0.041 0.000 0.287 194 V C -0.242 175.713 176.094 -0.231 0.000 1.051 194 V CA 0.077 62.326 62.300 -0.085 0.000 1.010 194 V CB 0.761 32.526 31.823 -0.096 0.000 0.988 194 V HN 0.544 nan 8.190 nan 0.000 0.478 195 F N 4.212 124.121 119.950 -0.067 0.000 2.540 195 F HA 0.562 5.057 4.527 -0.053 0.000 0.317 195 F C -2.065 173.703 175.800 -0.052 0.000 1.104 195 F CA -2.549 55.417 58.000 -0.057 0.000 0.913 195 F CB 1.548 40.511 39.000 -0.061 0.000 1.170 195 F HN 0.329 nan 8.300 nan 0.000 0.450 196 P HA 0.096 nan 4.420 nan 0.000 0.266 196 P C -0.788 176.559 177.300 0.079 0.000 1.195 196 P CA -0.151 62.990 63.100 0.068 0.000 0.768 196 P CB 0.502 32.234 31.700 0.055 0.000 0.838 197 V N 6.480 126.422 119.914 0.046 0.000 2.455 197 V HA 0.142 4.237 4.120 -0.041 0.000 0.273 197 V C -1.845 174.303 176.094 0.090 0.000 1.045 197 V CA -1.503 60.827 62.300 0.050 0.000 0.976 197 V CB 0.365 32.199 31.823 0.018 0.000 0.993 197 V HN 0.584 nan 8.190 nan 0.000 0.475 198 P HA -0.028 nan 4.420 nan 0.000 0.259 198 P C 0.536 177.981 177.300 0.240 0.000 1.163 198 P CA 0.516 63.691 63.100 0.126 0.000 0.760 198 P CB 0.661 32.398 31.700 0.062 0.000 0.762 199 A N 4.045 126.967 122.820 0.169 0.000 1.898 199 A HA -0.085 4.210 4.320 -0.041 0.000 0.214 199 A C 0.838 178.582 177.584 0.268 0.000 1.183 199 A CA 0.837 52.981 52.037 0.179 0.000 0.622 199 A CB -0.605 18.456 19.000 0.102 0.000 0.824 199 A HN 0.565 nan 8.150 nan 0.000 0.444 200 E N 0.424 120.746 120.200 0.203 0.000 2.415 200 E HA 0.219 4.544 4.350 -0.041 0.000 0.262 200 E C -0.228 176.538 176.600 0.277 0.000 1.038 200 E CA 0.082 56.589 56.400 0.178 0.000 0.921 200 E CB 0.288 30.046 29.700 0.097 0.000 0.950 200 E HN 0.774 nan 8.360 nan 0.000 0.438 201 H N -0.680 118.563 119.070 0.288 0.000 2.505 201 H HA 0.473 5.002 4.556 -0.046 0.000 0.355 201 H C 0.437 175.876 175.328 0.185 0.000 1.179 201 H CA -0.902 55.284 56.048 0.230 0.000 1.343 201 H CB 1.119 31.027 29.762 0.244 0.000 1.501 201 H HN 0.485 nan 8.280 nan 0.000 0.569 202 G N 1.441 110.421 108.800 0.300 0.000 4.547 202 G HA2 0.055 3.990 3.960 -0.041 0.000 0.301 202 G HA3 0.055 3.990 3.960 -0.041 0.000 0.301 202 G C -0.636 174.269 174.900 0.008 0.000 1.240 202 G CA -0.677 44.461 45.100 0.063 0.000 0.970 202 G HN 0.628 nan 8.290 nan 0.000 0.574 203 N N 1.745 120.600 118.700 0.258 0.000 2.555 203 N HA 0.099 4.814 4.740 -0.041 0.000 0.244 203 N C 0.839 176.273 175.510 -0.127 0.000 1.114 203 N CA -0.414 52.554 53.050 -0.136 0.000 0.963 203 N CB 0.579 38.959 38.487 -0.178 0.000 1.276 203 N HN 0.568 nan 8.380 nan 0.000 0.510 204 Y N -0.325 119.963 120.300 -0.019 0.000 2.680 204 Y HA -0.030 4.496 4.550 -0.040 0.000 0.303 204 Y C 1.680 177.574 175.900 -0.009 0.000 1.166 204 Y CA 0.326 58.403 58.100 -0.039 0.000 1.344 204 Y CB -0.686 37.711 38.460 -0.105 0.000 1.002 204 Y HN 0.264 nan 8.280 nan 0.000 0.537 205 T N -4.209 110.302 114.554 -0.073 0.000 3.054 205 T HA 0.061 4.387 4.350 -0.041 0.000 0.255 205 T C 0.118 174.815 174.700 -0.005 0.000 1.035 205 T CA -0.257 61.844 62.100 0.003 0.000 0.941 205 T CB -0.083 68.768 68.868 -0.028 0.000 1.026 205 T HN 0.250 nan 8.240 nan 0.000 0.533 206 D N 2.628 123.022 120.400 -0.009 0.000 2.317 206 D HA 0.234 4.849 4.640 -0.041 0.000 0.252 206 D C -1.721 174.609 176.300 0.050 0.000 1.174 206 D CA -2.239 51.763 54.000 0.004 0.000 0.866 206 D CB 2.017 42.797 40.800 -0.033 0.000 1.127 206 D HN -0.033 nan 8.370 nan 0.000 0.467 207 P HA -0.173 nan 4.420 nan 0.000 0.218 207 P C 0.922 178.257 177.300 0.059 0.000 1.146 207 P CA 1.192 64.316 63.100 0.040 0.000 0.813 207 P CB 0.092 31.806 31.700 0.024 0.000 0.778 208 E N -1.296 118.952 120.200 0.080 0.000 2.418 208 E HA -0.113 4.212 4.350 -0.041 0.000 0.197 208 E C 1.589 178.262 176.600 0.122 0.000 1.026 208 E CA 0.562 57.024 56.400 0.103 0.000 0.862 208 E CB -0.595 29.186 29.700 0.135 0.000 0.799 208 E HN 0.187 nan 8.360 nan 0.000 0.518 209 L N 1.057 122.364 121.223 0.140 0.000 2.467 209 L HA 0.095 4.411 4.340 -0.041 0.000 0.213 209 L C 2.243 179.160 176.870 0.079 0.000 1.053 209 L CA 1.685 56.596 54.840 0.119 0.000 0.847 209 L CB 0.043 42.215 42.059 0.189 0.000 1.075 209 L HN 0.277 nan 8.230 nan 0.000 0.479 210 T N -2.712 111.887 114.554 0.076 0.000 2.978 210 T HA 0.410 4.735 4.350 -0.041 0.000 0.262 210 T C 1.218 175.944 174.700 0.043 0.000 1.063 210 T CA 0.544 62.678 62.100 0.057 0.000 1.140 210 T CB -0.639 68.262 68.868 0.055 0.000 0.886 210 T HN 0.681 nan 8.240 nan 0.000 0.470 211 G N 1.960 110.786 108.800 0.044 0.000 2.741 211 G HA2 -0.048 3.887 3.960 -0.041 0.000 0.222 211 G HA3 -0.048 3.887 3.960 -0.041 0.000 0.222 211 G C -2.848 172.069 174.900 0.028 0.000 1.364 211 G CA -0.715 44.406 45.100 0.035 0.000 0.866 211 G HN 0.547 nan 8.290 nan 0.000 0.555 212 P HA 0.383 nan 4.420 nan 0.000 0.267 212 P C 0.484 177.795 177.300 0.018 0.000 1.205 212 P CA -0.246 62.865 63.100 0.019 0.000 0.765 212 P CB 0.391 32.100 31.700 0.015 0.000 0.828 213 L N 3.811 125.044 121.223 0.017 0.000 2.456 213 L HA 0.169 4.484 4.340 -0.041 0.000 0.272 213 L C 1.309 178.186 176.870 0.012 0.000 1.189 213 L CA -0.232 54.617 54.840 0.015 0.000 0.846 213 L CB 0.142 42.210 42.059 0.015 0.000 1.111 213 L HN 0.345 nan 8.230 nan 0.000 0.475 214 R N 0.882 121.389 120.500 0.010 0.000 2.679 214 R HA 0.064 4.379 4.340 -0.041 0.000 0.268 214 R C 0.696 177.000 176.300 0.007 0.000 1.044 214 R CA 0.412 56.517 56.100 0.008 0.000 1.105 214 R CB 0.218 30.522 30.300 0.006 0.000 0.989 214 R HN 0.732 nan 8.270 nan 0.000 0.447 215 T N -3.869 110.688 114.554 0.005 0.000 3.145 215 T HA 0.002 4.327 4.350 -0.041 0.000 0.281 215 T C 1.204 175.906 174.700 0.003 0.000 1.003 215 T CA -0.028 62.075 62.100 0.005 0.000 0.901 215 T CB 0.351 69.222 68.868 0.005 0.000 1.112 215 T HN 0.669 nan 8.240 nan 0.000 0.535 216 T N -0.644 113.911 114.554 0.003 0.000 3.065 216 T HA 0.176 4.501 4.350 -0.041 0.000 0.252 216 T C 0.689 175.389 174.700 0.000 0.000 1.099 216 T CA -0.161 61.940 62.100 0.001 0.000 1.063 216 T CB -0.295 68.574 68.868 0.001 0.000 0.948 216 T HN 0.410 nan 8.240 nan 0.000 0.506 217 Q N 2.130 121.930 119.800 0.000 0.000 2.323 217 Q HA 0.272 4.587 4.340 -0.041 0.000 0.257 217 Q C -0.348 175.652 176.000 0.000 0.000 1.022 217 Q CA -0.269 55.533 55.803 -0.001 0.000 0.919 217 Q CB 0.796 29.534 28.738 -0.000 0.000 1.220 217 Q HN 0.197 nan 8.270 nan 0.000 0.427 218 K N 3.608 124.007 120.400 -0.001 0.000 2.154 218 K HA 0.357 4.652 4.320 -0.041 0.000 0.264 218 K C -1.913 174.687 176.600 0.000 0.000 1.008 218 K CA -1.655 54.632 56.287 -0.000 0.000 0.937 218 K CB 0.300 32.800 32.500 -0.001 0.000 1.002 218 K HN 0.503 nan 8.250 nan 0.000 0.469 219 P HA 0.241 nan 4.420 nan 0.000 0.271 219 P C -0.478 176.823 177.300 0.002 0.000 1.218 219 P CA -0.075 63.027 63.100 0.002 0.000 0.780 219 P CB 0.631 32.334 31.700 0.004 0.000 0.901 220 I N 1.154 121.726 120.570 0.003 0.000 2.411 220 I HA 0.125 4.270 4.170 -0.041 0.000 0.284 220 I C 0.415 176.535 176.117 0.006 0.000 1.012 220 I CA -0.561 60.741 61.300 0.003 0.000 1.119 220 I CB 1.664 39.666 38.000 0.003 0.000 1.261 220 I HN 0.290 nan 8.210 nan 0.000 0.448 221 S N 7.762 123.466 115.700 0.007 0.000 2.452 221 S HA 0.607 5.052 4.470 -0.041 0.000 0.284 221 S C -0.503 174.104 174.600 0.011 0.000 1.171 221 S CA -0.400 57.805 58.200 0.008 0.000 1.064 221 S CB 0.192 63.397 63.200 0.008 0.000 0.967 221 S HN 0.442 nan 8.310 nan 0.000 0.484 222 I N 5.351 125.928 120.570 0.012 0.000 2.411 222 I HA 0.372 4.517 4.170 -0.041 0.000 0.284 222 I C 0.132 176.259 176.117 0.016 0.000 1.012 222 I CA -0.412 60.898 61.300 0.017 0.000 1.119 222 I CB 1.817 39.827 38.000 0.017 0.000 1.261 222 I HN 0.681 nan 8.210 nan 0.000 0.448 223 T N 1.712 116.279 114.554 0.022 0.000 2.883 223 T HA 0.511 4.836 4.350 -0.041 0.000 0.296 223 T C -0.764 173.952 174.700 0.026 0.000 1.117 223 T CA -0.877 61.235 62.100 0.020 0.000 1.006 223 T CB 2.292 71.169 68.868 0.015 0.000 1.191 223 T HN 0.498 nan 8.240 nan 0.000 0.508 224 Q N 1.539 121.352 119.800 0.021 0.000 2.771 224 Q HA 0.270 4.585 4.340 -0.041 0.000 0.247 224 Q C -1.847 174.159 176.000 0.009 0.000 0.986 224 Q CA -2.095 53.721 55.803 0.021 0.000 0.713 224 Q CB 1.973 30.725 28.738 0.023 0.000 1.241 224 Q HN 0.575 nan 8.270 nan 0.000 0.488 225 P HA -0.221 nan 4.420 nan 0.000 0.217 225 P C 0.075 177.376 177.300 0.001 0.000 1.148 225 P CA 1.484 64.588 63.100 0.006 0.000 0.834 225 P CB 0.467 32.173 31.700 0.009 0.000 0.783 226 E N -0.657 119.543 120.200 0.000 0.000 2.501 226 E HA 0.387 4.712 4.350 -0.041 0.000 0.200 226 E C 0.849 177.437 176.600 -0.020 0.000 1.016 226 E CA 0.022 56.419 56.400 -0.006 0.000 0.921 226 E CB 0.315 30.014 29.700 -0.002 0.000 1.034 226 E HN 0.235 nan 8.360 nan 0.000 0.468 227 G N 3.074 111.857 108.800 -0.027 0.000 2.756 227 G HA2 -0.183 3.752 3.960 -0.041 0.000 0.678 227 G HA3 -0.183 3.752 3.960 -0.041 0.000 0.678 227 G C -2.730 172.118 174.900 -0.086 0.000 1.349 227 G CA -0.923 44.140 45.100 -0.062 0.000 0.847 227 G HN -0.002 nan 8.290 nan 0.000 0.548 228 P HA 0.336 nan 4.420 nan 0.000 0.272 228 P C 0.626 177.810 177.300 -0.194 0.000 1.230 228 P CA 0.099 63.032 63.100 -0.279 0.000 0.788 228 P CB 1.177 32.376 31.700 -0.836 0.000 0.949 229 S N 0.116 115.840 115.700 0.039 0.000 2.558 229 S HA 0.110 4.556 4.470 -0.041 0.000 0.217 229 S C 0.674 175.447 174.600 0.287 0.000 0.975 229 S CA 0.124 58.424 58.200 0.168 0.000 0.912 229 S CB -0.783 62.583 63.200 0.276 0.000 0.776 229 S HN 0.569 nan 8.310 nan 0.000 0.526 230 F N 1.744 121.892 119.950 0.331 0.000 2.440 230 F HA 0.775 5.278 4.527 -0.041 0.000 0.328 230 F C 0.066 175.954 175.800 0.146 0.000 1.070 230 F CA -1.156 57.022 58.000 0.297 0.000 1.011 230 F CB 0.465 39.622 39.000 0.263 0.000 1.226 230 F HN -0.136 nan 8.300 nan 0.000 0.491 231 T N -0.289 114.475 114.554 0.350 0.000 2.885 231 T HA 0.754 5.080 4.350 -0.041 0.000 0.285 231 T C -1.220 173.652 174.700 0.286 0.000 1.019 231 T CA -0.820 61.409 62.100 0.216 0.000 1.010 231 T CB 1.550 70.506 68.868 0.146 0.000 1.022 231 T HN 0.689 nan 8.240 nan 0.000 0.466 232 V N 3.181 123.230 119.914 0.225 0.000 2.407 232 V HA 0.693 4.788 4.120 -0.041 0.000 0.291 232 V C 0.300 176.490 176.094 0.159 0.000 1.018 232 V CA -0.606 61.812 62.300 0.197 0.000 0.842 232 V CB 1.360 33.302 31.823 0.199 0.000 0.996 232 V HN 1.304 nan 8.190 nan 0.000 0.426 233 T N 0.272 114.936 114.554 0.184 0.000 2.916 233 T HA 0.681 5.006 4.350 -0.041 0.000 0.292 233 T C 0.827 175.618 174.700 0.153 0.000 1.055 233 T CA -0.050 62.143 62.100 0.155 0.000 1.009 233 T CB 1.790 70.751 68.868 0.155 0.000 1.118 233 T HN 1.711 nan 8.240 nan 0.000 0.497 234 G N -0.085 108.774 108.800 0.099 0.000 2.203 234 G HA2 0.102 4.037 3.960 -0.041 0.000 0.263 234 G HA3 0.102 4.037 3.960 -0.041 0.000 0.263 234 G C 1.325 176.279 174.900 0.091 0.000 1.012 234 G CA 0.987 46.137 45.100 0.083 0.000 0.749 234 G HN 2.409 nan 8.290 nan 0.000 0.512 235 G N -0.134 108.721 108.800 0.091 0.000 2.458 235 G HA2 -0.279 3.657 3.960 -0.041 0.000 0.237 235 G HA3 -0.279 3.657 3.960 -0.041 0.000 0.237 235 G C 0.881 175.834 174.900 0.089 0.000 1.113 235 G CA 1.297 46.446 45.100 0.082 0.000 0.655 235 G HN 2.199 nan 8.290 nan 0.000 0.513 236 N N -0.183 118.581 118.700 0.107 0.000 2.217 236 N HA 0.169 4.884 4.740 -0.041 0.000 0.239 236 N C -0.289 175.282 175.510 0.103 0.000 1.330 236 N CA 0.346 53.450 53.050 0.090 0.000 0.838 236 N CB -0.241 38.295 38.487 0.081 0.000 1.287 236 N HN 0.566 nan 8.380 nan 0.000 0.498 237 H N 1.514 120.618 119.070 0.056 0.000 2.652 237 H HA 0.451 4.982 4.556 -0.041 0.000 0.298 237 H C -0.400 174.969 175.328 0.068 0.000 1.076 237 H CA -0.321 55.759 56.048 0.053 0.000 1.360 237 H CB 0.506 30.303 29.762 0.059 0.000 1.421 237 H HN -0.002 nan 8.280 nan 0.000 0.464 238 I N 4.661 124.975 120.570 -0.428 0.000 2.437 238 I HA 0.287 4.432 4.170 -0.041 0.000 0.298 238 I C -0.037 175.936 176.117 -0.240 0.000 0.984 238 I CA -0.561 60.604 61.300 -0.225 0.000 1.214 238 I CB 1.483 39.373 38.000 -0.183 0.000 1.365 238 I HN 0.718 nan 8.210 nan 0.000 0.469 239 E N 4.944 125.170 120.200 0.043 0.000 2.260 239 E HA 0.344 4.669 4.350 -0.041 0.000 0.266 239 E C -1.871 174.918 176.600 0.316 0.000 0.887 239 E CA -0.580 55.902 56.400 0.136 0.000 0.777 239 E CB 2.617 32.401 29.700 0.140 0.000 1.205 239 E HN 0.566 nan 8.360 nan 0.000 0.414 240 W N 4.034 125.405 121.300 0.118 0.000 3.326 240 W HA 0.178 4.814 4.660 -0.041 0.000 0.333 240 W C -0.678 175.951 176.519 0.184 0.000 1.108 240 W CA -0.387 57.058 57.345 0.166 0.000 1.245 240 W CB 0.975 30.529 29.460 0.155 0.000 1.331 240 W HN 0.345 nan 8.180 nan 0.000 0.464 241 E N 5.833 125.661 120.200 -0.620 0.000 2.149 241 E HA -0.320 4.005 4.350 -0.041 0.000 0.191 241 E C 0.570 176.852 176.600 -0.531 0.000 1.384 241 E CA 1.877 57.847 56.400 -0.717 0.000 0.698 241 E CB -0.969 27.915 29.700 -1.359 0.000 1.086 241 E HN 0.904 nan 8.360 nan 0.000 0.338 242 K N -3.592 116.531 120.400 -0.461 0.000 3.615 242 K HA -0.245 4.050 4.320 -0.041 0.000 0.269 242 K C 0.147 176.313 176.600 -0.724 0.000 1.107 242 K CA 1.772 57.616 56.287 -0.738 0.000 1.059 242 K CB -1.321 30.360 32.500 -1.364 0.000 1.317 242 K HN 0.272 nan 8.250 nan 0.000 0.494 243 W N 1.704 122.806 121.300 -0.331 0.000 2.251 243 W HA 0.445 5.080 4.660 -0.041 0.000 0.329 243 W C 0.636 177.137 176.519 -0.030 0.000 1.234 243 W CA -0.066 57.234 57.345 -0.074 0.000 1.228 243 W CB 1.379 30.940 29.460 0.169 0.000 1.135 243 W HN -0.003 nan 8.180 nan 0.000 0.576 244 S N 3.973 119.835 115.700 0.270 0.000 2.575 244 S HA 0.832 5.278 4.470 -0.041 0.000 0.278 244 S C -1.143 173.489 174.600 0.053 0.000 1.139 244 S CA -0.740 57.518 58.200 0.098 0.000 0.954 244 S CB 0.154 63.430 63.200 0.127 0.000 1.054 244 S HN 0.590 nan 8.310 nan 0.000 0.483 245 L N 0.998 122.134 121.223 -0.145 0.000 2.940 245 L HA 0.747 5.062 4.340 -0.041 0.000 0.270 245 L C -2.105 174.649 176.870 -0.193 0.000 1.030 245 L CA -1.070 53.693 54.840 -0.128 0.000 0.928 245 L CB 1.615 43.605 42.059 -0.116 0.000 1.506 245 L HN 0.404 nan 8.230 nan 0.000 0.405 246 D N 1.356 121.700 120.400 -0.094 0.000 2.375 246 D HA 0.486 5.101 4.640 -0.041 0.000 0.247 246 D C -0.831 175.468 176.300 -0.002 0.000 1.061 246 D CA -0.273 53.724 54.000 -0.005 0.000 0.834 246 D CB 3.254 44.080 40.800 0.044 0.000 1.247 246 D HN 0.368 nan 8.370 nan 0.000 0.489 247 V N 2.205 122.118 119.914 -0.001 0.000 2.334 247 V HA 0.474 4.569 4.120 -0.041 0.000 0.267 247 V C 0.950 177.091 176.094 0.078 0.000 1.040 247 V CA -0.410 61.882 62.300 -0.014 0.000 0.866 247 V CB 1.045 32.837 31.823 -0.050 0.000 1.019 247 V HN 0.590 nan 8.190 nan 0.000 0.468 248 G N 3.095 111.976 108.800 0.134 0.000 2.521 248 G HA2 0.699 4.634 3.960 -0.041 0.000 0.323 248 G HA3 0.699 4.634 3.960 -0.041 0.000 0.323 248 G C -1.527 173.459 174.900 0.144 0.000 1.211 248 G CA -0.459 44.752 45.100 0.185 0.000 0.979 248 G HN 0.463 nan 8.290 nan 0.000 0.490 249 F N -0.019 119.906 119.950 -0.041 0.000 2.574 249 F HA 0.507 5.009 4.527 -0.042 0.000 0.313 249 F C -1.396 174.348 175.800 -0.093 0.000 1.130 249 F CA -0.981 56.948 58.000 -0.119 0.000 0.936 249 F CB 2.584 41.501 39.000 -0.139 0.000 1.219 249 F HN 0.509 nan 8.300 nan 0.000 0.445 250 D N 3.764 123.715 120.400 -0.748 0.000 2.646 250 D HA 0.299 4.915 4.640 -0.041 0.000 0.245 250 D C 0.246 176.150 176.300 -0.661 0.000 1.099 250 D CA -0.538 53.190 54.000 -0.454 0.000 0.849 250 D CB 2.401 43.077 40.800 -0.207 0.000 1.448 250 D HN 0.376 nan 8.370 nan 0.000 0.489 251 V N 4.345 124.071 119.914 -0.314 0.000 2.594 251 V HA -0.137 3.958 4.120 -0.041 0.000 0.253 251 V C 2.009 178.025 176.094 -0.130 0.000 1.069 251 V CA 2.230 64.408 62.300 -0.204 0.000 1.082 251 V CB -0.376 31.370 31.823 -0.128 0.000 0.680 251 V HN 0.633 nan 8.190 nan 0.000 0.469 252 R N -0.499 119.985 120.500 -0.027 0.000 2.055 252 R HA -0.017 4.298 4.340 -0.041 0.000 0.221 252 R C 2.211 178.453 176.300 -0.097 0.000 1.154 252 R CA 1.511 57.595 56.100 -0.026 0.000 0.975 252 R CB -0.215 30.044 30.300 -0.068 0.000 0.869 252 R HN 0.567 nan 8.270 nan 0.000 0.437 253 E N -0.445 119.677 120.200 -0.131 0.000 2.299 253 E HA 0.129 4.455 4.350 -0.041 0.000 0.193 253 E C 0.700 177.129 176.600 -0.284 0.000 0.998 253 E CA 0.391 56.718 56.400 -0.121 0.000 0.851 253 E CB 0.523 30.195 29.700 -0.048 0.000 0.795 253 E HN 0.575 nan 8.360 nan 0.000 0.492 254 G N 0.728 109.146 108.800 -0.636 0.000 2.488 254 G HA2 -0.291 3.644 3.960 -0.041 0.000 0.237 254 G HA3 -0.291 3.644 3.960 -0.041 0.000 0.237 254 G C -0.137 174.169 174.900 -0.990 0.000 1.209 254 G CA -0.365 44.049 45.100 -1.142 0.000 0.929 254 G HN 0.098 nan 8.290 nan 0.000 0.578 255 V N 0.661 120.158 119.914 -0.695 0.000 2.585 255 V HA 0.426 4.521 4.120 -0.041 0.000 0.296 255 V C 0.751 176.781 176.094 -0.106 0.000 1.035 255 V CA 0.204 62.413 62.300 -0.151 0.000 1.084 255 V CB 0.995 32.903 31.823 0.142 0.000 0.953 255 V HN 0.917 nan 8.190 nan 0.000 0.483 256 V N 6.610 126.411 119.914 -0.188 0.000 2.588 256 V HA 0.458 4.554 4.120 -0.041 0.000 0.304 256 V C -0.241 175.574 176.094 -0.465 0.000 1.042 256 V CA -0.635 61.463 62.300 -0.337 0.000 0.877 256 V CB 1.935 33.572 31.823 -0.309 0.000 0.996 256 V HN 0.610 nan 8.190 nan 0.000 0.425 257 L N 4.996 125.807 121.223 -0.687 0.000 2.289 257 L HA 0.614 4.929 4.340 -0.041 0.000 0.285 257 L C -0.320 176.191 176.870 -0.598 0.000 1.049 257 L CA -0.519 53.958 54.840 -0.605 0.000 0.804 257 L CB 0.876 42.486 42.059 -0.748 0.000 1.195 257 L HN 0.613 nan 8.230 nan 0.000 0.428 258 H N 3.537 122.440 119.070 -0.279 0.000 2.569 258 H HA 0.265 4.797 4.556 -0.041 0.000 0.357 258 H C -0.151 174.976 175.328 -0.336 0.000 1.153 258 H CA -0.708 55.154 56.048 -0.309 0.000 1.193 258 H CB 1.882 31.426 29.762 -0.363 0.000 1.602 258 H HN 0.567 nan 8.280 nan 0.000 0.523 259 N N 1.345 119.916 118.700 -0.214 0.000 2.705 259 N HA -0.185 4.530 4.740 -0.041 0.000 0.255 259 N C -0.249 175.201 175.510 -0.099 0.000 1.008 259 N CA 0.396 53.326 53.050 -0.199 0.000 0.742 259 N CB -0.973 37.336 38.487 -0.297 0.000 0.906 259 N HN 0.446 nan 8.380 nan 0.000 0.541 260 I N 0.418 120.937 120.570 -0.085 0.000 2.587 260 I HA 0.224 4.369 4.170 -0.041 0.000 0.284 260 I C 1.179 177.352 176.117 0.094 0.000 1.134 260 I CA 0.112 61.426 61.300 0.024 0.000 1.410 260 I CB -0.019 37.983 38.000 0.004 0.000 1.392 260 I HN 0.299 nan 8.210 nan 0.000 0.545 261 A N 7.217 130.153 122.820 0.193 0.000 2.527 261 A HA 0.808 5.104 4.320 -0.041 0.000 0.293 261 A C -1.537 176.183 177.584 0.227 0.000 1.117 261 A CA -0.517 51.620 52.037 0.167 0.000 0.723 261 A CB 2.024 21.080 19.000 0.093 0.000 1.313 261 A HN 0.466 nan 8.150 nan 0.000 0.411 262 F N 0.507 120.446 119.950 -0.018 0.000 2.539 262 F HA 0.644 5.146 4.527 -0.041 0.000 0.318 262 F C 0.139 175.942 175.800 0.005 0.000 1.135 262 F CA -0.636 57.282 58.000 -0.137 0.000 0.915 262 F CB 1.770 40.614 39.000 -0.261 0.000 1.176 262 F HN 0.549 nan 8.300 nan 0.000 0.440 263 R N 4.023 124.415 120.500 -0.181 0.000 2.309 263 R HA 0.137 4.452 4.340 -0.041 0.000 0.331 263 R C -1.022 175.360 176.300 0.138 0.000 1.116 263 R CA 0.059 56.138 56.100 -0.035 0.000 0.970 263 R CB -0.589 29.625 30.300 -0.143 0.000 1.024 263 R HN 0.484 nan 8.270 nan 0.000 0.472 264 D N 3.944 124.503 120.400 0.265 0.000 2.518 264 D HA 0.298 4.913 4.640 -0.041 0.000 0.230 264 D C 0.897 177.280 176.300 0.138 0.000 1.138 264 D CA 0.929 55.111 54.000 0.303 0.000 0.964 264 D CB 0.363 41.352 40.800 0.315 0.000 1.011 264 D HN 0.683 nan 8.370 nan 0.000 0.517 265 G N 4.878 113.734 108.800 0.092 0.000 2.675 265 G HA2 -0.445 3.490 3.960 -0.041 0.000 0.312 265 G HA3 -0.445 3.490 3.960 -0.041 0.000 0.312 265 G C 0.946 175.863 174.900 0.029 0.000 1.186 265 G CA 0.789 45.917 45.100 0.047 0.000 0.965 265 G HN 0.566 nan 8.290 nan 0.000 0.548 266 D N 1.203 121.618 120.400 0.025 0.000 2.249 266 D HA 0.168 4.783 4.640 -0.041 0.000 0.205 266 D C 1.371 177.680 176.300 0.016 0.000 0.962 266 D CA 1.295 55.304 54.000 0.015 0.000 0.860 266 D CB -0.062 40.743 40.800 0.008 0.000 0.955 266 D HN 0.956 nan 8.370 nan 0.000 0.505 267 R N -0.147 120.367 120.500 0.024 0.000 2.778 267 R HA 0.523 4.838 4.340 -0.041 0.000 0.277 267 R C -0.902 175.425 176.300 0.044 0.000 0.977 267 R CA -0.997 55.116 56.100 0.023 0.000 0.950 267 R CB 1.417 31.721 30.300 0.006 0.000 1.165 267 R HN 0.021 nan 8.270 nan 0.000 0.474 268 L N 3.284 124.530 121.223 0.038 0.000 2.268 268 L HA 0.371 4.686 4.340 -0.041 0.000 0.289 268 L C -0.340 176.569 176.870 0.065 0.000 1.064 268 L CA -0.614 54.260 54.840 0.056 0.000 0.824 268 L CB 0.606 42.691 42.059 0.043 0.000 1.202 268 L HN 0.621 nan 8.230 nan 0.000 0.433 269 R N 6.427 127.000 120.500 0.122 0.000 2.207 269 R HA 0.354 4.669 4.340 -0.041 0.000 0.334 269 R C -2.333 174.059 176.300 0.154 0.000 1.013 269 R CA -1.703 54.478 56.100 0.135 0.000 0.858 269 R CB 0.818 31.227 30.300 0.182 0.000 1.094 269 R HN 0.401 nan 8.270 nan 0.000 0.457 270 P HA 0.082 nan 4.420 nan 0.000 0.274 270 P C -0.118 177.163 177.300 -0.032 0.000 1.231 270 P CA 0.074 63.158 63.100 -0.025 0.000 0.790 270 P CB 1.270 32.882 31.700 -0.147 0.000 0.951 271 I N 0.569 121.066 120.570 -0.122 0.000 3.814 271 I HA 0.245 4.390 4.170 -0.041 0.000 0.264 271 I C 0.650 176.627 176.117 -0.234 0.000 1.145 271 I CA 0.194 61.329 61.300 -0.276 0.000 1.375 271 I CB 0.410 38.136 38.000 -0.458 0.000 1.638 271 I HN 0.136 nan 8.210 nan 0.000 0.432 272 I N 1.106 121.571 120.570 -0.174 0.000 2.499 272 I HA 0.188 4.334 4.170 -0.041 0.000 0.288 272 I C 0.301 176.336 176.117 -0.136 0.000 1.048 272 I CA -0.270 60.942 61.300 -0.146 0.000 1.062 272 I CB 2.101 40.018 38.000 -0.138 0.000 1.238 272 I HN 0.012 nan 8.210 nan 0.000 0.426 273 N N 4.512 123.152 118.700 -0.100 0.000 2.207 273 N HA 0.015 4.730 4.740 -0.041 0.000 0.182 273 N C 0.405 175.860 175.510 -0.091 0.000 1.020 273 N CA 1.299 54.316 53.050 -0.056 0.000 0.858 273 N CB 0.411 38.973 38.487 0.125 0.000 0.991 273 N HN 0.562 nan 8.380 nan 0.000 0.427 274 R N -0.481 119.935 120.500 -0.140 0.000 2.515 274 R HA 0.590 4.905 4.340 -0.041 0.000 0.278 274 R C -2.074 174.049 176.300 -0.295 0.000 1.107 274 R CA -0.627 55.318 56.100 -0.259 0.000 0.945 274 R CB 1.374 31.568 30.300 -0.176 0.000 1.219 274 R HN 0.093 nan 8.270 nan 0.000 0.434 275 A N 2.374 124.942 122.820 -0.420 0.000 2.343 275 A HA 0.763 5.059 4.320 -0.041 0.000 0.316 275 A C -1.001 176.331 177.584 -0.421 0.000 1.104 275 A CA -0.395 51.404 52.037 -0.396 0.000 0.768 275 A CB 1.598 20.266 19.000 -0.553 0.000 1.213 275 A HN 0.846 nan 8.150 nan 0.000 0.456 276 S N 0.708 116.345 115.700 -0.106 0.000 2.611 276 S HA 0.650 5.095 4.470 -0.041 0.000 0.268 276 S C -1.353 173.363 174.600 0.194 0.000 1.156 276 S CA -0.602 57.632 58.200 0.058 0.000 0.817 276 S CB 0.529 63.683 63.200 -0.078 0.000 1.122 276 S HN 0.571 nan 8.310 nan 0.000 0.466 277 I N 2.181 122.886 120.570 0.226 0.000 2.310 277 I HA 0.526 4.671 4.170 -0.041 0.000 0.287 277 I C 1.223 177.428 176.117 0.147 0.000 1.073 277 I CA -0.326 61.091 61.300 0.194 0.000 1.216 277 I CB 0.809 39.019 38.000 0.349 0.000 1.415 277 I HN 0.940 nan 8.210 nan 0.000 0.480 278 A N 4.256 127.133 122.820 0.095 0.000 2.209 278 A HA 0.148 4.443 4.320 -0.041 0.000 0.212 278 A C 0.760 178.387 177.584 0.071 0.000 1.158 278 A CA 0.972 53.088 52.037 0.132 0.000 0.742 278 A CB -0.190 18.901 19.000 0.152 0.000 0.790 278 A HN 0.619 nan 8.150 nan 0.000 0.472 279 E N -2.031 118.149 120.200 -0.033 0.000 2.389 279 E HA 0.518 4.844 4.350 -0.041 0.000 0.281 279 E C -1.328 175.197 176.600 -0.126 0.000 1.072 279 E CA -0.317 56.009 56.400 -0.124 0.000 0.845 279 E CB 0.658 30.130 29.700 -0.380 0.000 1.239 279 E HN 0.166 nan 8.360 nan 0.000 0.434 280 M N 4.140 123.664 119.600 -0.125 0.000 2.284 280 M HA 0.546 5.001 4.480 -0.041 0.000 0.281 280 M C -1.968 174.101 176.300 -0.385 0.000 1.083 280 M CA -0.836 54.239 55.300 -0.374 0.000 0.965 280 M CB 1.630 33.895 32.600 -0.557 0.000 1.717 280 M HN 0.460 nan 8.290 nan 0.000 0.479 281 V N 5.469 125.104 119.914 -0.465 0.000 2.823 281 V HA 0.747 4.842 4.120 -0.041 0.000 0.312 281 V C -1.458 174.244 176.094 -0.652 0.000 1.072 281 V CA -0.339 61.552 62.300 -0.680 0.000 0.937 281 V CB 2.403 33.737 31.823 -0.816 0.000 1.013 281 V HN 0.671 nan 8.190 nan 0.000 0.430 282 V N 8.194 127.694 119.914 -0.690 0.000 2.276 282 V HA 0.420 4.515 4.120 -0.041 0.000 0.268 282 V C -2.427 173.473 176.094 -0.323 0.000 1.032 282 V CA -1.310 60.697 62.300 -0.488 0.000 0.810 282 V CB 1.328 32.963 31.823 -0.314 0.000 1.060 282 V HN 0.819 nan 8.190 nan 0.000 0.446 283 P HA 0.342 nan 4.420 nan 0.000 0.285 283 P C -1.306 175.836 177.300 -0.263 0.000 1.259 283 P CA -0.340 62.634 63.100 -0.209 0.000 0.794 283 P CB 1.115 32.688 31.700 -0.212 0.000 0.940 284 Y N 0.740 120.967 120.300 -0.122 0.000 2.334 284 Y HA 0.462 4.989 4.550 -0.039 0.000 0.328 284 Y C 1.739 177.602 175.900 -0.061 0.000 1.130 284 Y CA 0.284 58.331 58.100 -0.088 0.000 1.163 284 Y CB 1.421 39.763 38.460 -0.197 0.000 1.207 284 Y HN 0.481 nan 8.280 nan 0.000 0.471 285 G N 1.328 110.176 108.800 0.080 0.000 3.707 285 G HA2 0.007 3.943 3.960 -0.041 0.000 0.286 285 G HA3 0.007 3.943 3.960 -0.041 0.000 0.286 285 G C -0.708 174.233 174.900 0.068 0.000 1.112 285 G CA -0.186 44.961 45.100 0.078 0.000 0.861 285 G HN 0.512 nan 8.290 nan 0.000 0.534 286 D N 1.139 121.562 120.400 0.038 0.000 2.317 286 D HA 0.251 4.866 4.640 -0.041 0.000 0.234 286 D C -1.060 175.214 176.300 -0.044 0.000 1.112 286 D CA -2.409 51.573 54.000 -0.030 0.000 0.840 286 D CB 2.301 43.073 40.800 -0.047 0.000 1.078 286 D HN 0.035 nan 8.370 nan 0.000 0.486 287 P HA -0.047 nan 4.420 nan 0.000 0.237 287 P C 0.413 177.698 177.300 -0.025 0.000 1.178 287 P CA 0.021 63.110 63.100 -0.019 0.000 0.766 287 P CB 0.160 31.859 31.700 -0.002 0.000 0.876 288 S N 2.421 118.093 115.700 -0.048 0.000 2.552 288 S HA 0.071 4.516 4.470 -0.041 0.000 0.289 288 S C -0.913 173.680 174.600 -0.011 0.000 1.304 288 S CA -1.007 57.172 58.200 -0.036 0.000 1.063 288 S CB 0.169 63.322 63.200 -0.079 0.000 0.848 288 S HN 0.035 nan 8.310 nan 0.000 0.499 289 P HA -0.082 nan 4.420 nan 0.000 0.225 289 P C 1.324 178.758 177.300 0.222 0.000 1.148 289 P CA 0.605 63.782 63.100 0.127 0.000 0.779 289 P CB -0.051 31.728 31.700 0.130 0.000 0.780 290 I N -0.114 120.536 120.570 0.133 0.000 2.546 290 I HA -0.080 4.065 4.170 -0.041 0.000 0.255 290 I C 2.054 178.294 176.117 0.205 0.000 1.163 290 I CA 1.261 62.684 61.300 0.204 0.000 1.457 290 I CB -0.948 37.074 38.000 0.037 0.000 1.092 290 I HN 0.050 nan 8.210 nan 0.000 0.434 291 R N -0.636 119.767 120.500 -0.163 0.000 2.539 291 R HA 0.100 4.415 4.340 -0.041 0.000 0.342 291 R C 1.864 177.682 176.300 -0.803 0.000 0.941 291 R CA 0.477 56.166 56.100 -0.684 0.000 1.146 291 R CB 0.271 30.307 30.300 -0.440 0.000 1.541 291 R HN 0.252 nan 8.270 nan 0.000 0.525 292 S N 0.810 116.255 115.700 -0.426 0.000 2.500 292 S HA -0.115 4.331 4.470 -0.041 0.000 0.239 292 S C 1.353 175.771 174.600 -0.304 0.000 0.989 292 S CA 0.455 58.500 58.200 -0.259 0.000 0.951 292 S CB -0.392 62.756 63.200 -0.086 0.000 0.759 292 S HN 0.616 nan 8.310 nan 0.000 0.523 293 W N 0.357 121.517 121.300 -0.235 0.000 3.211 293 W HA 0.399 5.031 4.660 -0.046 0.000 0.292 293 W C 0.461 176.982 176.519 0.004 0.000 1.268 293 W CA -0.698 56.393 57.345 -0.423 0.000 1.702 293 W CB -0.658 28.359 29.460 -0.739 0.000 1.092 293 W HN 0.268 nan 8.180 nan 0.000 0.643 294 Q N 2.916 122.237 119.800 -0.798 0.000 2.263 294 Q HA 0.078 4.393 4.340 -0.041 0.000 0.270 294 Q C -0.729 175.266 176.000 -0.009 0.000 1.104 294 Q CA 0.768 56.223 55.803 -0.581 0.000 0.909 294 Q CB 0.051 28.153 28.738 -1.060 0.000 1.214 294 Q HN 0.034 nan 8.270 nan 0.000 0.400 295 N N 4.236 123.048 118.700 0.186 0.000 2.599 295 N HA 0.099 4.814 4.740 -0.041 0.000 0.283 295 N C -1.852 173.805 175.510 0.245 0.000 1.160 295 N CA -0.446 52.693 53.050 0.148 0.000 0.869 295 N CB 1.288 39.854 38.487 0.132 0.000 1.448 295 N HN 0.506 nan 8.380 nan 0.000 0.535 296 Y N 0.337 120.665 120.300 0.046 0.000 2.341 296 Y HA 0.667 5.194 4.550 -0.039 0.000 0.338 296 Y C -1.312 174.651 175.900 0.105 0.000 0.965 296 Y CA -1.084 57.150 58.100 0.224 0.000 1.108 296 Y CB 0.622 39.248 38.460 0.276 0.000 1.180 296 Y HN 0.171 nan 8.280 nan 0.000 0.458 297 F N 4.665 124.691 119.950 0.126 0.000 2.377 297 F HA 0.510 5.012 4.527 -0.042 0.000 0.360 297 F C 1.337 177.228 175.800 0.152 0.000 1.147 297 F CA -0.116 57.880 58.000 -0.007 0.000 1.170 297 F CB 0.760 39.783 39.000 0.038 0.000 1.339 297 F HN 0.929 nan 8.300 nan 0.000 0.552 298 A N 2.210 125.056 122.820 0.043 0.000 1.873 298 A HA -0.207 4.089 4.320 -0.041 0.000 0.218 298 A C 2.247 180.058 177.584 0.377 0.000 1.193 298 A CA 2.609 54.857 52.037 0.350 0.000 0.629 298 A CB -0.889 18.226 19.000 0.191 0.000 0.826 298 A HN 0.625 nan 8.150 nan 0.000 0.447 299 T N -0.626 114.051 114.554 0.205 0.000 2.639 299 T HA 0.041 4.366 4.350 -0.041 0.000 0.261 299 T C 2.035 176.776 174.700 0.069 0.000 1.053 299 T CA 1.442 63.624 62.100 0.137 0.000 1.158 299 T CB -0.844 68.060 68.868 0.061 0.000 0.863 299 T HN 0.569 nan 8.240 nan 0.000 0.413 300 G N 0.886 109.711 108.800 0.042 0.000 2.408 300 G HA2 -0.136 3.799 3.960 -0.041 0.000 0.217 300 G HA3 -0.136 3.799 3.960 -0.041 0.000 0.217 300 G C 1.466 176.339 174.900 -0.044 0.000 1.150 300 G CA 0.579 45.614 45.100 -0.108 0.000 0.776 300 G HN 0.516 nan 8.290 nan 0.000 0.542 301 E N -1.189 119.082 120.200 0.118 0.000 2.166 301 E HA 0.088 4.414 4.350 -0.041 0.000 0.192 301 E C 1.750 178.352 176.600 0.003 0.000 0.967 301 E CA 0.363 56.785 56.400 0.036 0.000 0.840 301 E CB 0.096 29.837 29.700 0.068 0.000 0.795 301 E HN 0.576 nan 8.360 nan 0.000 0.470 302 Y N -0.054 120.432 120.300 0.309 0.000 2.507 302 Y HA 0.286 4.811 4.550 -0.042 0.000 0.263 302 Y C 0.030 176.149 175.900 0.364 0.000 1.093 302 Y CA -0.041 58.309 58.100 0.416 0.000 1.285 302 Y CB 0.648 39.437 38.460 0.549 0.000 1.115 302 Y HN -0.158 nan 8.280 nan 0.000 0.533 303 L N 0.834 122.281 121.223 0.374 0.000 2.939 303 L HA -0.200 4.116 4.340 -0.041 0.000 0.705 303 L C 1.070 178.098 176.870 0.263 0.000 1.098 303 L CA 0.007 54.974 54.840 0.212 0.000 1.347 303 L CB -1.658 40.476 42.059 0.126 0.000 1.956 303 L HN 0.174 nan 8.230 nan 0.000 0.922 304 V N -0.833 119.259 119.914 0.297 0.000 2.568 304 V HA -0.136 3.959 4.120 -0.041 0.000 0.253 304 V C 2.176 178.451 176.094 0.301 0.000 1.072 304 V CA 2.234 64.765 62.300 0.385 0.000 1.084 304 V CB -0.530 31.511 31.823 0.364 0.000 0.676 304 V HN 0.814 nan 8.190 nan 0.000 0.469 305 G N 1.019 109.862 108.800 0.071 0.000 2.432 305 G HA2 -0.278 3.657 3.960 -0.041 0.000 0.219 305 G HA3 -0.278 3.657 3.960 -0.041 0.000 0.219 305 G C 1.562 176.558 174.900 0.159 0.000 1.135 305 G CA 0.898 45.984 45.100 -0.022 0.000 0.767 305 G HN 0.811 nan 8.290 nan 0.000 0.550 306 Q N -0.896 118.886 119.800 -0.030 0.000 2.364 306 Q HA -0.050 4.265 4.340 -0.041 0.000 0.207 306 Q C 1.031 176.890 176.000 -0.235 0.000 0.970 306 Q CA 0.911 56.599 55.803 -0.192 0.000 0.888 306 Q CB -0.289 28.187 28.738 -0.437 0.000 0.951 306 Q HN 0.524 nan 8.270 nan 0.000 0.469 307 Y N 0.709 121.162 120.300 0.255 0.000 2.571 307 Y HA 0.495 5.021 4.550 -0.039 0.000 0.275 307 Y C 0.581 176.662 175.900 0.301 0.000 1.179 307 Y CA -0.783 57.470 58.100 0.256 0.000 1.242 307 Y CB -0.026 38.599 38.460 0.276 0.000 1.126 307 Y HN 0.167 nan 8.280 nan 0.000 0.524 308 A N 0.999 124.074 122.820 0.425 0.000 2.540 308 A HA 0.130 4.425 4.320 -0.041 0.000 0.239 308 A C 0.270 178.050 177.584 0.327 0.000 1.061 308 A CA -0.290 52.028 52.037 0.468 0.000 0.758 308 A CB -0.021 19.234 19.000 0.425 0.000 0.991 308 A HN 0.349 nan 8.150 nan 0.000 0.502 309 N N 0.966 119.866 118.700 0.334 0.000 2.483 309 N HA 0.287 5.002 4.740 -0.041 0.000 0.269 309 N C -0.351 175.253 175.510 0.156 0.000 1.209 309 N CA -0.186 52.998 53.050 0.223 0.000 0.969 309 N CB 0.904 39.513 38.487 0.203 0.000 1.173 309 N HN 0.498 nan 8.380 nan 0.000 0.475 310 S N 0.762 116.514 115.700 0.087 0.000 2.474 310 S HA 0.312 4.757 4.470 -0.041 0.000 0.276 310 S C 0.195 174.813 174.600 0.031 0.000 1.227 310 S CA -0.607 57.607 58.200 0.024 0.000 1.050 310 S CB -0.026 63.165 63.200 -0.015 0.000 0.939 310 S HN 0.229 nan 8.310 nan 0.000 0.490 311 L N 4.131 125.380 121.223 0.043 0.000 2.278 311 L HA 0.331 4.646 4.340 -0.041 0.000 0.287 311 L C 0.450 177.351 176.870 0.052 0.000 1.072 311 L CA -0.633 54.271 54.840 0.106 0.000 0.819 311 L CB 0.395 42.614 42.059 0.267 0.000 1.176 311 L HN 0.445 nan 8.230 nan 0.000 0.435 312 E N 3.071 123.302 120.200 0.051 0.000 2.338 312 E HA 0.189 4.514 4.350 -0.041 0.000 0.272 312 E C -0.369 176.300 176.600 0.116 0.000 1.029 312 E CA -0.782 55.643 56.400 0.041 0.000 0.872 312 E CB 1.968 31.680 29.700 0.020 0.000 1.015 312 E HN 0.263 nan 8.360 nan 0.000 0.417 313 L N 1.620 122.927 121.223 0.139 0.000 2.416 313 L HA 0.274 4.589 4.340 -0.041 0.000 0.272 313 L C 1.343 178.263 176.870 0.082 0.000 1.161 313 L CA 1.655 56.596 54.840 0.167 0.000 0.845 313 L CB 0.417 42.585 42.059 0.183 0.000 1.119 313 L HN 0.792 nan 8.230 nan 0.000 0.464 314 G N 1.972 110.807 108.800 0.057 0.000 2.253 314 G HA2 -0.319 3.616 3.960 -0.041 0.000 0.251 314 G HA3 -0.319 3.616 3.960 -0.041 0.000 0.251 314 G C 0.765 175.679 174.900 0.023 0.000 0.998 314 G CA 0.414 45.532 45.100 0.030 0.000 0.621 314 G HN 0.779 nan 8.290 nan 0.000 0.524 315 C N -0.724 118.595 119.300 0.031 0.000 2.503 315 C HA 0.332 4.768 4.460 -0.041 0.000 0.344 315 C C 2.176 177.177 174.990 0.019 0.000 1.610 315 C CA 1.146 60.173 59.018 0.016 0.000 2.351 315 C CB -0.410 27.334 27.740 0.007 0.000 2.044 315 C HN 0.464 nan 8.230 nan 0.000 0.680 316 D N 0.315 120.739 120.400 0.040 0.000 2.162 316 D HA 0.025 4.640 4.640 -0.041 0.000 0.205 316 D C 0.227 176.594 176.300 0.111 0.000 0.964 316 D CA 1.192 55.230 54.000 0.064 0.000 0.847 316 D CB 0.072 40.921 40.800 0.081 0.000 0.988 316 D HN 0.419 nan 8.370 nan 0.000 0.480 317 c N 1.575 120.232 118.600 0.096 0.000 2.364 317 c HA 0.558 5.103 4.570 -0.041 0.000 0.324 317 c C -0.334 173.721 174.090 -0.057 0.000 1.234 317 c CA -1.125 55.215 56.329 0.017 0.000 1.417 317 c CB 0.987 43.513 42.510 0.026 0.000 2.101 317 c HN 0.158 nan 8.230 nan 0.000 0.466 318 L N 3.870 125.013 121.223 -0.134 0.000 2.325 318 L HA 0.969 5.284 4.340 -0.041 0.000 0.278 318 L C 0.487 177.250 176.870 -0.178 0.000 1.023 318 L CA 1.711 56.487 54.840 -0.107 0.000 0.811 318 L CB 1.133 43.161 42.059 -0.051 0.000 1.249 318 L HN 1.153 nan 8.230 nan 0.000 0.431 319 G N 3.177 111.921 108.800 -0.093 0.000 2.428 319 G HA2 -0.150 3.785 3.960 -0.041 0.000 0.202 319 G HA3 -0.150 3.785 3.960 -0.041 0.000 0.202 319 G C -1.097 173.775 174.900 -0.047 0.000 1.247 319 G CA -0.226 44.835 45.100 -0.065 0.000 1.020 319 G HN 0.749 nan 8.290 nan 0.000 0.529 320 D N 0.828 121.223 120.400 -0.009 0.000 2.393 320 D HA 0.481 5.096 4.640 -0.041 0.000 0.232 320 D C -0.250 176.062 176.300 0.020 0.000 1.192 320 D CA -0.049 53.955 54.000 0.006 0.000 0.882 320 D CB 0.356 41.166 40.800 0.016 0.000 1.038 320 D HN 0.325 nan 8.370 nan 0.000 0.499 321 I N 2.207 122.746 120.570 -0.052 0.000 2.412 321 I HA 0.178 4.323 4.170 -0.041 0.000 0.296 321 I C 0.655 176.673 176.117 -0.164 0.000 0.987 321 I CA -0.335 60.878 61.300 -0.144 0.000 1.180 321 I CB 2.093 39.842 38.000 -0.419 0.000 1.340 321 I HN 0.084 nan 8.210 nan 0.000 0.455 322 T N 5.655 120.173 114.554 -0.060 0.000 2.770 322 T HA 0.494 4.819 4.350 -0.041 0.000 0.283 322 T C -0.751 173.893 174.700 -0.094 0.000 0.988 322 T CA -0.281 61.838 62.100 0.030 0.000 0.957 322 T CB 0.157 69.206 68.868 0.301 0.000 0.930 322 T HN 0.116 nan 8.240 nan 0.000 0.443 323 Y N 2.163 122.519 120.300 0.094 0.000 2.376 323 Y HA 0.649 5.174 4.550 -0.041 0.000 0.325 323 Y C 0.272 176.192 175.900 0.033 0.000 1.199 323 Y CA -1.225 56.909 58.100 0.056 0.000 1.206 323 Y CB 0.987 39.471 38.460 0.040 0.000 1.229 323 Y HN 0.353 nan 8.280 nan 0.000 0.480 324 L N 1.248 122.590 121.223 0.198 0.000 2.381 324 L HA 0.511 4.826 4.340 -0.041 0.000 0.268 324 L C -0.699 176.182 176.870 0.018 0.000 0.997 324 L CA -0.663 54.222 54.840 0.076 0.000 0.818 324 L CB 2.128 44.201 42.059 0.024 0.000 1.310 324 L HN 0.529 nan 8.230 nan 0.000 0.416 325 S N 3.205 118.888 115.700 -0.029 0.000 2.406 325 S HA 0.329 4.774 4.470 -0.041 0.000 0.224 325 S C -2.358 172.163 174.600 -0.132 0.000 1.426 325 S CA -1.005 57.143 58.200 -0.088 0.000 1.179 325 S CB 0.801 63.967 63.200 -0.056 0.000 1.042 325 S HN 0.385 nan 8.310 nan 0.000 0.479 326 P HA 0.210 nan 4.420 nan 0.000 0.269 326 P C -0.718 176.483 177.300 -0.164 0.000 1.215 326 P CA -0.255 62.685 63.100 -0.266 0.000 0.780 326 P CB 0.749 32.029 31.700 -0.701 0.000 0.898 327 V N 3.661 123.546 119.914 -0.047 0.000 2.555 327 V HA 0.494 4.590 4.120 -0.041 0.000 0.302 327 V C 0.683 176.800 176.094 0.038 0.000 1.038 327 V CA -0.628 61.665 62.300 -0.011 0.000 0.887 327 V CB 1.357 33.181 31.823 0.002 0.000 0.991 327 V HN 0.529 nan 8.190 nan 0.000 0.434 328 I N 0.602 121.186 120.570 0.025 0.000 3.206 328 I HA 0.810 4.955 4.170 -0.041 0.000 0.313 328 I C -0.212 175.897 176.117 -0.013 0.000 1.103 328 I CA -0.649 60.666 61.300 0.026 0.000 0.985 328 I CB 2.332 40.355 38.000 0.039 0.000 1.240 328 I HN 0.530 nan 8.210 nan 0.000 0.464 329 S N 1.053 116.726 115.700 -0.044 0.000 2.578 329 S HA 0.394 4.840 4.470 -0.041 0.000 0.283 329 S C -0.632 173.935 174.600 -0.054 0.000 1.195 329 S CA -0.550 57.619 58.200 -0.052 0.000 1.050 329 S CB 0.748 63.901 63.200 -0.078 0.000 1.012 329 S HN 0.809 nan 8.310 nan 0.000 0.511 330 D N 2.546 122.928 120.400 -0.031 0.000 2.506 330 D HA 0.442 5.057 4.640 -0.041 0.000 0.272 330 D C 1.184 177.422 176.300 -0.103 0.000 1.214 330 D CA -0.223 53.752 54.000 -0.043 0.000 1.067 330 D CB 0.157 40.970 40.800 0.022 0.000 1.117 330 D HN 0.471 nan 8.370 nan 0.000 0.578 331 A N -1.090 121.597 122.820 -0.222 0.000 2.178 331 A HA -0.038 4.257 4.320 -0.041 0.000 0.218 331 A C 1.341 178.584 177.584 -0.569 0.000 1.157 331 A CA 0.834 52.613 52.037 -0.430 0.000 0.689 331 A CB -0.914 17.711 19.000 -0.626 0.000 0.787 331 A HN 0.455 nan 8.150 nan 0.000 0.465 332 F N -1.782 118.175 119.950 0.010 0.000 2.682 332 F HA 0.408 4.910 4.527 -0.042 0.000 0.308 332 F C 1.706 177.502 175.800 -0.007 0.000 1.093 332 F CA 0.180 58.184 58.000 0.007 0.000 1.244 332 F CB 0.314 39.317 39.000 0.005 0.000 1.052 332 F HN 0.293 nan 8.300 nan 0.000 0.573 333 G N 0.227 109.077 108.800 0.084 0.000 2.157 333 G HA2 -0.253 3.682 3.960 -0.041 0.000 0.239 333 G HA3 -0.253 3.682 3.960 -0.041 0.000 0.239 333 G C -0.001 174.912 174.900 0.022 0.000 0.982 333 G CA -0.464 44.655 45.100 0.031 0.000 0.650 333 G HN 0.249 nan 8.290 nan 0.000 0.527 334 N N 2.172 120.907 118.700 0.059 0.000 2.514 334 N HA 0.408 5.123 4.740 -0.041 0.000 0.277 334 N C -2.463 173.053 175.510 0.009 0.000 1.126 334 N CA -1.017 52.054 53.050 0.036 0.000 0.978 334 N CB 1.604 40.130 38.487 0.065 0.000 1.106 334 N HN 0.212 nan 8.380 nan 0.000 0.461 335 P HA 0.171 nan 4.420 nan 0.000 0.276 335 P C -0.599 176.699 177.300 -0.004 0.000 1.230 335 P CA -0.076 63.015 63.100 -0.015 0.000 0.776 335 P CB 1.130 32.815 31.700 -0.024 0.000 0.888 336 R N 1.892 122.389 120.500 -0.005 0.000 2.502 336 R HA 0.243 4.558 4.340 -0.041 0.000 0.300 336 R C -0.403 175.889 176.300 -0.013 0.000 0.984 336 R CA -0.583 55.515 56.100 -0.003 0.000 0.882 336 R CB 1.391 31.692 30.300 0.002 0.000 1.180 336 R HN 0.483 nan 8.270 nan 0.000 0.444 337 E N 4.493 124.682 120.200 -0.019 0.000 2.283 337 E HA 0.156 4.481 4.350 -0.041 0.000 0.278 337 E C -0.790 175.782 176.600 -0.047 0.000 1.027 337 E CA -0.678 55.700 56.400 -0.037 0.000 0.843 337 E CB 0.851 30.531 29.700 -0.033 0.000 1.062 337 E HN 0.449 nan 8.360 nan 0.000 0.401 338 I N 5.144 125.663 120.570 -0.085 0.000 2.316 338 I HA 0.164 4.309 4.170 -0.041 0.000 0.286 338 I C 0.611 176.669 176.117 -0.098 0.000 1.107 338 I CA -0.121 61.127 61.300 -0.087 0.000 1.219 338 I CB 0.398 38.311 38.000 -0.145 0.000 1.455 338 I HN 0.367 nan 8.210 nan 0.000 0.498 339 R N 5.899 126.355 120.500 -0.073 0.000 2.486 339 R HA -0.053 4.263 4.340 -0.041 0.000 0.303 339 R C 0.024 176.243 176.300 -0.135 0.000 0.958 339 R CA 0.379 56.422 56.100 -0.095 0.000 1.077 339 R CB 0.057 30.306 30.300 -0.085 0.000 0.921 339 R HN 0.650 nan 8.270 nan 0.000 0.406 340 N N 2.523 121.123 118.700 -0.166 0.000 2.727 340 N HA -0.176 4.539 4.740 -0.041 0.000 0.249 340 N C 0.573 176.068 175.510 -0.025 0.000 1.048 340 N CA 1.138 54.048 53.050 -0.233 0.000 0.714 340 N CB -1.289 36.733 38.487 -0.776 0.000 0.959 340 N HN 0.884 nan 8.380 nan 0.000 0.544 341 G N -0.918 107.866 108.800 -0.027 0.000 2.712 341 G HA2 0.241 4.176 3.960 -0.041 0.000 0.212 341 G HA3 0.241 4.176 3.960 -0.041 0.000 0.212 341 G C 0.534 175.484 174.900 0.082 0.000 1.142 341 G CA 0.229 45.327 45.100 -0.003 0.000 0.789 341 G HN 0.457 nan 8.290 nan 0.000 0.535 342 I N 0.413 121.047 120.570 0.106 0.000 2.478 342 I HA 0.292 4.437 4.170 -0.041 0.000 0.287 342 I C -0.757 175.480 176.117 0.201 0.000 1.042 342 I CA -0.886 60.499 61.300 0.142 0.000 1.067 342 I CB 2.375 40.394 38.000 0.032 0.000 1.233 342 I HN -0.192 nan 8.210 nan 0.000 0.431 343 c N 7.001 125.697 118.600 0.159 0.000 2.358 343 c HA 0.700 5.245 4.570 -0.041 0.000 0.342 343 c C 0.068 174.155 174.090 -0.005 0.000 1.234 343 c CA -0.465 55.895 56.329 0.052 0.000 1.969 343 c CB 0.700 43.279 42.510 0.116 0.000 2.346 343 c HN 0.664 nan 8.230 nan 0.000 0.525 344 M N 5.443 125.003 119.600 -0.067 0.000 2.326 344 M HA 0.503 4.958 4.480 -0.041 0.000 0.292 344 M C -0.672 175.586 176.300 -0.069 0.000 1.081 344 M CA -0.176 55.004 55.300 -0.201 0.000 0.919 344 M CB 1.932 34.337 32.600 -0.326 0.000 1.634 344 M HN 0.966 nan 8.290 nan 0.000 0.451 345 H N 0.879 119.790 119.070 -0.265 0.000 2.987 345 H HA 0.478 5.010 4.556 -0.041 0.000 0.316 345 H C -2.125 173.116 175.328 -0.145 0.000 1.380 345 H CA -1.001 55.036 56.048 -0.018 0.000 1.160 345 H CB 1.235 31.010 29.762 0.020 0.000 1.865 345 H HN 0.760 nan 8.280 nan 0.000 0.521 346 E N 1.144 121.394 120.200 0.083 0.000 2.235 346 E HA 0.549 4.875 4.350 -0.041 0.000 0.265 346 E C -0.896 175.773 176.600 0.114 0.000 0.940 346 E CA -0.927 55.410 56.400 -0.104 0.000 0.819 346 E CB 2.889 32.642 29.700 0.088 0.000 1.206 346 E HN 0.740 nan 8.360 nan 0.000 0.409 347 E N 1.453 121.693 120.200 0.066 0.000 2.392 347 E HA 0.228 4.554 4.350 -0.041 0.000 0.279 347 E C -1.520 175.211 176.600 0.217 0.000 0.964 347 E CA -0.991 55.514 56.400 0.176 0.000 0.777 347 E CB 1.434 31.260 29.700 0.209 0.000 1.249 347 E HN 0.528 nan 8.360 nan 0.000 0.449 348 D N 1.347 121.883 120.400 0.226 0.000 2.443 348 D HA -0.043 4.572 4.640 -0.041 0.000 0.239 348 D C -0.918 175.593 176.300 0.353 0.000 1.136 348 D CA 0.123 54.265 54.000 0.236 0.000 0.879 348 D CB 0.552 41.440 40.800 0.147 0.000 1.195 348 D HN 0.511 nan 8.370 nan 0.000 0.443 349 W N 5.872 127.218 121.300 0.076 0.000 1.340 349 W HA 0.377 5.012 4.660 -0.042 0.000 0.301 349 W C 0.274 176.830 176.519 0.061 0.000 0.834 349 W CA 0.046 57.433 57.345 0.070 0.000 2.473 349 W CB 0.086 29.629 29.460 0.138 0.000 1.837 349 W HN 0.848 nan 8.180 nan 0.000 0.528 350 G N 1.958 110.706 108.800 -0.085 0.000 2.552 350 G HA2 -0.329 3.606 3.960 -0.041 0.000 0.265 350 G HA3 -0.329 3.606 3.960 -0.041 0.000 0.265 350 G C -0.411 174.476 174.900 -0.021 0.000 1.234 350 G CA -0.063 44.961 45.100 -0.126 0.000 0.944 350 G HN 0.098 nan 8.290 nan 0.000 0.568 351 I N 1.368 121.915 120.570 -0.039 0.000 2.441 351 I HA 0.250 4.395 4.170 -0.041 0.000 0.287 351 I C 1.538 177.684 176.117 0.049 0.000 1.049 351 I CA -0.137 61.166 61.300 0.005 0.000 1.381 351 I CB 0.848 38.842 38.000 -0.010 0.000 1.409 351 I HN 0.623 nan 8.210 nan 0.000 0.523 352 L N 6.539 127.808 121.223 0.078 0.000 2.200 352 L HA 0.462 4.778 4.340 -0.041 0.000 0.200 352 L C 0.641 177.571 176.870 0.100 0.000 1.072 352 L CA 1.059 55.965 54.840 0.110 0.000 0.787 352 L CB 0.110 42.246 42.059 0.129 0.000 0.957 352 L HN 0.704 nan 8.230 nan 0.000 0.459 353 A N -0.483 122.404 122.820 0.112 0.000 2.574 353 A HA 0.663 4.958 4.320 -0.041 0.000 0.297 353 A C -1.112 176.589 177.584 0.194 0.000 1.062 353 A CA -0.592 51.541 52.037 0.160 0.000 0.686 353 A CB 1.176 20.318 19.000 0.236 0.000 1.285 353 A HN 0.067 nan 8.150 nan 0.000 0.403 354 K N 0.924 121.446 120.400 0.203 0.000 2.557 354 K HA 0.596 4.891 4.320 -0.041 0.000 0.261 354 K C -2.158 174.597 176.600 0.259 0.000 0.932 354 K CA -0.525 55.892 56.287 0.217 0.000 0.829 354 K CB 1.827 34.388 32.500 0.102 0.000 1.358 354 K HN 1.117 nan 8.250 nan 0.000 0.430 355 H N 0.137 119.290 119.070 0.139 0.000 3.151 355 H HA 0.370 4.901 4.556 -0.041 0.000 0.333 355 H C -2.014 173.348 175.328 0.056 0.000 1.093 355 H CA -0.356 55.727 56.048 0.060 0.000 1.342 355 H CB 1.901 31.671 29.762 0.013 0.000 1.983 355 H HN 0.431 nan 8.280 nan 0.000 0.503 356 S N 3.911 119.245 115.700 -0.609 0.000 2.566 356 S HA 0.199 4.644 4.470 -0.041 0.000 0.324 356 S C -0.865 173.251 174.600 -0.806 0.000 1.081 356 S CA -0.686 57.225 58.200 -0.482 0.000 1.105 356 S CB 0.757 63.820 63.200 -0.228 0.000 0.981 356 S HN 0.670 nan 8.310 nan 0.000 0.464 357 D N 2.404 122.434 120.400 -0.617 0.000 2.249 357 D HA 0.323 4.938 4.640 -0.041 0.000 0.246 357 D C 1.288 177.478 176.300 -0.182 0.000 1.114 357 D CA -0.776 53.013 54.000 -0.351 0.000 0.854 357 D CB 0.690 41.476 40.800 -0.024 0.000 1.132 357 D HN 0.274 nan 8.370 nan 0.000 0.461 358 L N 2.636 123.710 121.223 -0.249 0.000 2.376 358 L HA 0.148 4.463 4.340 -0.041 0.000 0.219 358 L C 1.109 177.934 176.870 -0.075 0.000 1.133 358 L CA 0.606 55.306 54.840 -0.233 0.000 0.816 358 L CB -1.129 40.700 42.059 -0.384 0.000 0.933 358 L HN 0.554 nan 8.230 nan 0.000 0.449 359 W N 0.547 121.854 121.300 0.011 0.000 2.735 359 W HA 0.259 4.895 4.660 -0.041 0.000 0.264 359 W C 2.553 179.077 176.519 0.008 0.000 1.233 359 W CA 0.865 58.217 57.345 0.012 0.000 1.408 359 W CB -0.860 28.611 29.460 0.019 0.000 1.038 359 W HN 0.420 nan 8.180 nan 0.000 0.603 360 S N -0.774 115.062 115.700 0.226 0.000 2.503 360 S HA 0.294 4.739 4.470 -0.041 0.000 0.217 360 S C 1.764 176.411 174.600 0.077 0.000 0.999 360 S CA 0.828 59.108 58.200 0.133 0.000 0.914 360 S CB 0.004 63.274 63.200 0.117 0.000 0.782 360 S HN 0.334 nan 8.310 nan 0.000 0.520 361 G N 1.353 110.183 108.800 0.051 0.000 2.168 361 G HA2 -0.208 3.727 3.960 -0.041 0.000 0.263 361 G HA3 -0.208 3.727 3.960 -0.041 0.000 0.263 361 G C 0.006 174.909 174.900 0.005 0.000 0.977 361 G CA 0.310 45.420 45.100 0.018 0.000 0.659 361 G HN 0.509 nan 8.290 nan 0.000 0.533 362 I N 1.198 121.774 120.570 0.011 0.000 2.395 362 I HA 0.304 4.449 4.170 -0.041 0.000 0.289 362 I C -0.127 175.988 176.117 -0.004 0.000 1.023 362 I CA -0.868 60.446 61.300 0.023 0.000 1.350 362 I CB 0.934 38.965 38.000 0.053 0.000 1.409 362 I HN 0.009 nan 8.210 nan 0.000 0.507 363 N N 6.396 125.110 118.700 0.023 0.000 2.392 363 N HA 0.308 5.024 4.740 -0.041 0.000 0.283 363 N C -1.214 174.367 175.510 0.120 0.000 1.003 363 N CA -0.373 52.689 53.050 0.020 0.000 0.892 363 N CB 2.285 40.766 38.487 -0.009 0.000 1.193 363 N HN 0.491 nan 8.380 nan 0.000 0.487 364 Y N 0.912 121.199 120.300 -0.021 0.000 2.406 364 Y HA 0.468 4.993 4.550 -0.041 0.000 0.340 364 Y C -1.065 174.846 175.900 0.019 0.000 0.975 364 Y CA -0.298 57.809 58.100 0.013 0.000 1.056 364 Y CB 1.660 40.146 38.460 0.043 0.000 1.210 364 Y HN 0.346 nan 8.280 nan 0.000 0.448 365 T N 6.794 121.164 114.554 -0.307 0.000 3.032 365 T HA 0.592 4.917 4.350 -0.041 0.000 0.312 365 T C -1.359 173.118 174.700 -0.371 0.000 1.078 365 T CA -1.008 60.961 62.100 -0.219 0.000 1.028 365 T CB 1.284 70.094 68.868 -0.096 0.000 1.091 365 T HN 0.419 nan 8.240 nan 0.000 0.457 366 R N 1.909 122.273 120.500 -0.226 0.000 2.673 366 R HA 0.541 4.856 4.340 -0.041 0.000 0.281 366 R C -0.632 175.650 176.300 -0.030 0.000 0.991 366 R CA -0.965 55.039 56.100 -0.159 0.000 0.896 366 R CB 1.953 32.167 30.300 -0.144 0.000 1.201 366 R HN 0.473 nan 8.270 nan 0.000 0.457 367 R N 1.289 121.788 120.500 -0.002 0.000 2.528 367 R HA 0.348 4.663 4.340 -0.041 0.000 0.271 367 R C 0.293 176.660 176.300 0.112 0.000 1.056 367 R CA -0.832 55.298 56.100 0.050 0.000 1.117 367 R CB 0.677 31.008 30.300 0.052 0.000 1.085 367 R HN 0.453 nan 8.270 nan 0.000 0.530 368 N N 0.662 119.465 118.700 0.172 0.000 2.459 368 N HA 0.407 5.122 4.740 -0.041 0.000 0.288 368 N C -0.932 174.785 175.510 0.346 0.000 1.186 368 N CA -0.426 52.789 53.050 0.276 0.000 0.917 368 N CB 1.310 40.005 38.487 0.347 0.000 1.219 368 N HN 0.353 nan 8.380 nan 0.000 0.525 369 R N 0.086 120.837 120.500 0.419 0.000 2.739 369 R HA 0.497 4.813 4.340 -0.041 0.000 0.271 369 R C -0.834 175.705 176.300 0.398 0.000 1.010 369 R CA -0.879 55.482 56.100 0.435 0.000 0.897 369 R CB 2.498 33.109 30.300 0.519 0.000 1.236 369 R HN 0.673 nan 8.270 nan 0.000 0.466 370 R N 1.577 122.100 120.500 0.039 0.000 2.673 370 R HA 0.480 4.795 4.340 -0.041 0.000 0.281 370 R C -1.355 174.452 176.300 -0.822 0.000 0.991 370 R CA -0.925 54.865 56.100 -0.518 0.000 0.896 370 R CB 1.871 31.516 30.300 -1.091 0.000 1.201 370 R HN 0.465 nan 8.270 nan 0.000 0.457 371 M N 3.196 122.032 119.600 -1.273 0.000 2.209 371 M HA 0.317 4.772 4.480 -0.041 0.000 0.355 371 M C -1.611 174.198 176.300 -0.818 0.000 1.171 371 M CA -0.609 53.861 55.300 -1.383 0.000 1.069 371 M CB 1.625 33.228 32.600 -1.662 0.000 1.622 371 M HN 0.467 nan 8.290 nan 0.000 0.459 372 V N 6.988 126.453 119.914 -0.747 0.000 2.448 372 V HA 0.558 4.653 4.120 -0.041 0.000 0.295 372 V C -0.829 174.998 176.094 -0.445 0.000 1.025 372 V CA -0.572 61.420 62.300 -0.513 0.000 0.859 372 V CB 1.438 32.885 31.823 -0.628 0.000 0.988 372 V HN 0.745 nan 8.190 nan 0.000 0.431 373 I N 4.871 125.278 120.570 -0.271 0.000 2.410 373 I HA 0.687 4.832 4.170 -0.041 0.000 0.286 373 I C 0.093 176.187 176.117 -0.037 0.000 1.009 373 I CA 0.312 61.519 61.300 -0.154 0.000 1.111 373 I CB 2.011 39.934 38.000 -0.130 0.000 1.262 373 I HN 0.781 nan 8.210 nan 0.000 0.443 374 S N 5.372 121.055 115.700 -0.028 0.000 2.625 374 S HA 0.922 5.367 4.470 -0.041 0.000 0.271 374 S C -0.950 173.726 174.600 0.127 0.000 1.161 374 S CA -0.771 57.367 58.200 -0.104 0.000 0.820 374 S CB 2.294 65.087 63.200 -0.678 0.000 1.137 374 S HN 0.522 nan 8.310 nan 0.000 0.470 375 F N -1.216 118.669 119.950 -0.109 0.000 2.686 375 F HA 0.903 5.405 4.527 -0.041 0.000 0.311 375 F C -2.260 173.614 175.800 0.123 0.000 1.128 375 F CA -1.658 56.383 58.000 0.069 0.000 0.946 375 F CB 0.967 40.053 39.000 0.143 0.000 1.336 375 F HN 0.624 nan 8.300 nan 0.000 0.457 376 F N 1.045 121.016 119.950 0.036 0.000 2.547 376 F HA 0.655 5.157 4.527 -0.042 0.000 0.316 376 F C -0.196 175.720 175.800 0.193 0.000 1.121 376 F CA -0.393 57.610 58.000 0.004 0.000 0.911 376 F CB 2.187 41.230 39.000 0.072 0.000 1.179 376 F HN 0.887 nan 8.300 nan 0.000 0.443 377 T N 2.299 117.102 114.554 0.415 0.000 2.942 377 T HA 0.725 5.051 4.350 -0.041 0.000 0.289 377 T C -1.077 173.909 174.700 0.476 0.000 1.044 377 T CA -0.274 62.135 62.100 0.516 0.000 1.023 377 T CB 1.372 70.585 68.868 0.576 0.000 1.123 377 T HN 0.573 nan 8.240 nan 0.000 0.512 378 T N 3.845 118.642 114.554 0.404 0.000 2.879 378 T HA 0.555 4.880 4.350 -0.041 0.000 0.290 378 T C -0.968 173.823 174.700 0.151 0.000 0.993 378 T CA -0.553 61.691 62.100 0.240 0.000 0.975 378 T CB 0.648 69.622 68.868 0.176 0.000 0.981 378 T HN 0.411 nan 8.240 nan 0.000 0.439 379 I N 3.725 124.337 120.570 0.069 0.000 2.537 379 I HA 0.416 4.561 4.170 -0.041 0.000 0.276 379 I C 1.233 177.231 176.117 -0.198 0.000 1.063 379 I CA 0.087 61.344 61.300 -0.072 0.000 1.144 379 I CB 0.045 38.094 38.000 0.082 0.000 1.252 379 I HN 0.972 nan 8.210 nan 0.000 0.480 380 G N 7.319 116.023 108.800 -0.160 0.000 2.602 380 G HA2 -0.307 3.628 3.960 -0.041 0.000 0.310 380 G HA3 -0.307 3.628 3.960 -0.041 0.000 0.310 380 G C 0.417 175.214 174.900 -0.173 0.000 1.183 380 G CA 0.516 45.564 45.100 -0.088 0.000 0.979 380 G HN 0.677 nan 8.290 nan 0.000 0.545 384 Y N 0.408 120.807 120.300 0.164 0.000 2.376 384 Y HA 0.699 5.224 4.550 -0.041 0.000 0.340 384 Y C 0.793 176.142 175.900 -0.918 0.000 0.965 384 Y CA -1.057 56.915 58.100 -0.214 0.000 1.078 384 Y CB 2.455 40.888 38.460 -0.046 0.000 1.193 384 Y HN 0.446 nan 8.280 nan 0.000 0.452 385 G N 2.521 110.587 108.800 -1.224 0.000 2.343 385 G HA2 0.571 4.506 3.960 -0.041 0.000 0.319 385 G HA3 0.571 4.506 3.960 -0.041 0.000 0.319 385 G C -1.616 172.886 174.900 -0.662 0.000 1.126 385 G CA -0.384 43.829 45.100 -1.478 0.000 0.889 385 G HN 0.333 nan 8.290 nan 0.000 0.457 386 F N 1.524 120.964 119.950 -0.849 0.000 2.426 386 F HA 0.504 5.006 4.527 -0.042 0.000 0.348 386 F C -0.674 174.720 175.800 -0.678 0.000 1.124 386 F CA -0.851 56.834 58.000 -0.525 0.000 1.008 386 F CB 1.798 40.643 39.000 -0.258 0.000 1.139 386 F HN 0.308 nan 8.300 nan 0.000 0.452 387 Y N 1.345 121.190 120.300 -0.760 0.000 2.391 387 Y HA 0.440 4.965 4.550 -0.042 0.000 0.341 387 Y C -1.157 174.005 175.900 -1.230 0.000 0.965 387 Y CA -1.581 56.017 58.100 -0.836 0.000 1.067 387 Y CB 1.413 39.325 38.460 -0.914 0.000 1.199 387 Y HN 0.518 nan 8.280 nan 0.000 0.450 388 W N 3.369 124.328 121.300 -0.567 0.000 2.529 388 W HA 0.627 5.263 4.660 -0.041 0.000 0.321 388 W C -1.420 174.676 176.519 -0.704 0.000 1.047 388 W CA -0.750 56.293 57.345 -0.503 0.000 1.216 388 W CB 1.151 30.481 29.460 -0.216 0.000 1.357 388 W HN 0.323 nan 8.180 nan 0.000 0.489 389 Y N 2.869 123.068 120.300 -0.167 0.000 2.446 389 Y HA 0.655 5.180 4.550 -0.042 0.000 0.345 389 Y C -0.278 175.320 175.900 -0.503 0.000 0.984 389 Y CA -1.632 56.183 58.100 -0.475 0.000 1.058 389 Y CB 1.217 39.285 38.460 -0.653 0.000 1.220 389 Y HN 0.068 nan 8.280 nan 0.000 0.455 390 L N 3.995 124.878 121.223 -0.568 0.000 2.356 390 L HA 0.521 4.836 4.340 -0.041 0.000 0.277 390 L C -1.219 175.453 176.870 -0.330 0.000 0.996 390 L CA -0.839 53.606 54.840 -0.658 0.000 0.822 390 L CB 1.283 42.627 42.059 -1.192 0.000 1.256 390 L HN 0.605 nan 8.230 nan 0.000 0.413 391 Y N 1.889 122.337 120.300 0.246 0.000 2.453 391 Y HA 0.314 4.839 4.550 -0.041 0.000 0.326 391 Y C 1.201 177.567 175.900 0.777 0.000 1.186 391 Y CA -0.731 57.636 58.100 0.445 0.000 1.200 391 Y CB 1.455 40.071 38.460 0.259 0.000 1.247 391 Y HN 0.444 nan 8.280 nan 0.000 0.482 392 L N 0.650 122.312 121.223 0.732 0.000 2.079 392 L HA -0.215 4.100 4.340 -0.041 0.000 0.210 392 L C 1.636 178.757 176.870 0.419 0.000 1.081 392 L CA 1.751 56.882 54.840 0.484 0.000 0.752 392 L CB -0.360 41.869 42.059 0.283 0.000 0.896 392 L HN 0.770 nan 8.230 nan 0.000 0.433 393 D N -0.453 120.164 120.400 0.363 0.000 2.352 393 D HA -0.009 4.606 4.640 -0.041 0.000 0.232 393 D C 1.404 177.791 176.300 0.145 0.000 1.055 393 D CA 0.874 54.975 54.000 0.169 0.000 0.891 393 D CB 0.144 41.018 40.800 0.123 0.000 0.897 393 D HN 0.361 nan 8.370 nan 0.000 0.529 394 G N -0.736 108.314 108.800 0.417 0.000 2.176 394 G HA2 -0.246 3.689 3.960 -0.041 0.000 0.232 394 G HA3 -0.246 3.689 3.960 -0.041 0.000 0.232 394 G C 0.415 175.796 174.900 0.802 0.000 0.986 394 G CA 0.185 45.544 45.100 0.433 0.000 0.643 394 G HN 0.461 nan 8.290 nan 0.000 0.522 395 T N 1.388 116.332 114.554 0.649 0.000 2.919 395 T HA 0.551 4.876 4.350 -0.041 0.000 0.302 395 T C 0.566 175.635 174.700 0.615 0.000 1.031 395 T CA 0.450 62.871 62.100 0.535 0.000 1.127 395 T CB 1.240 70.239 68.868 0.219 0.000 0.952 395 T HN 0.337 nan 8.240 nan 0.000 0.540 396 I N 2.507 123.362 120.570 0.474 0.000 2.433 396 I HA 0.499 4.645 4.170 -0.041 0.000 0.292 396 I C 0.115 176.386 176.117 0.256 0.000 1.001 396 I CA -0.633 60.840 61.300 0.289 0.000 1.119 396 I CB 1.888 40.028 38.000 0.234 0.000 1.289 396 I HN 0.616 nan 8.210 nan 0.000 0.438 397 E N 5.614 125.925 120.200 0.186 0.000 2.356 397 E HA 0.481 4.806 4.350 -0.041 0.000 0.275 397 E C -2.046 174.395 176.600 -0.265 0.000 0.904 397 E CA -0.630 55.775 56.400 0.009 0.000 0.757 397 E CB 2.754 32.593 29.700 0.231 0.000 1.232 397 E HN 0.419 nan 8.360 nan 0.000 0.442 398 F N 2.360 121.753 119.950 -0.928 0.000 2.532 398 F HA 0.536 5.038 4.527 -0.042 0.000 0.321 398 F C -1.167 174.079 175.800 -0.923 0.000 1.089 398 F CA -0.498 56.748 58.000 -1.255 0.000 0.926 398 F CB 1.815 39.725 39.000 -1.816 0.000 1.168 398 F HN 0.520 nan 8.300 nan 0.000 0.459 399 E N 4.108 123.148 120.200 -1.934 0.000 2.290 399 E HA 0.688 5.013 4.350 -0.041 0.000 0.274 399 E C -1.976 173.747 176.600 -1.462 0.000 0.889 399 E CA -0.988 54.671 56.400 -1.236 0.000 0.760 399 E CB 1.819 31.198 29.700 -0.535 0.000 1.206 399 E HN 0.879 nan 8.360 nan 0.000 0.419 400 A N 4.413 126.647 122.820 -0.976 0.000 2.304 400 A HA 0.558 4.853 4.320 -0.041 0.000 0.323 400 A C -0.824 176.494 177.584 -0.444 0.000 1.195 400 A CA -0.709 50.848 52.037 -0.800 0.000 0.826 400 A CB 0.859 19.247 19.000 -1.020 0.000 1.184 400 A HN 0.548 nan 8.150 nan 0.000 0.496 401 K N 1.701 121.903 120.400 -0.330 0.000 2.394 401 K HA 0.569 4.864 4.320 -0.041 0.000 0.260 401 K C -0.598 175.962 176.600 -0.066 0.000 0.967 401 K CA -0.266 55.923 56.287 -0.163 0.000 0.855 401 K CB 2.063 34.511 32.500 -0.086 0.000 1.101 401 K HN 0.743 nan 8.250 nan 0.000 0.433 402 A N 2.546 125.351 122.820 -0.025 0.000 2.276 402 A HA 0.590 4.885 4.320 -0.041 0.000 0.316 402 A C -0.060 177.485 177.584 -0.065 0.000 1.229 402 A CA -0.231 51.787 52.037 -0.031 0.000 0.851 402 A CB 1.331 20.268 19.000 -0.106 0.000 1.165 402 A HN 0.686 nan 8.150 nan 0.000 0.513 403 T N 0.730 115.234 114.554 -0.084 0.000 2.606 403 T HA 0.780 5.106 4.350 -0.041 0.000 0.289 403 T C 0.396 175.023 174.700 -0.122 0.000 1.113 403 T CA 1.055 63.122 62.100 -0.055 0.000 1.106 403 T CB 0.562 69.441 68.868 0.019 0.000 1.611 403 T HN 2.663 nan 8.240 nan 0.000 0.471 404 G N -0.113 108.606 108.800 -0.133 0.000 2.445 404 G HA2 0.031 3.966 3.960 -0.041 0.000 0.212 404 G HA3 0.031 3.966 3.960 -0.041 0.000 0.212 404 G C -1.185 173.594 174.900 -0.202 0.000 1.217 404 G CA -0.182 44.805 45.100 -0.188 0.000 1.002 404 G HN 1.397 nan 8.290 nan 0.000 0.574 405 V N 1.201 120.963 119.914 -0.254 0.000 2.555 405 V HA 0.639 4.734 4.120 -0.041 0.000 0.302 405 V C 1.092 177.096 176.094 -0.150 0.000 1.038 405 V CA -0.145 62.028 62.300 -0.211 0.000 0.887 405 V CB 1.214 32.835 31.823 -0.337 0.000 0.991 405 V HN 1.705 nan 8.190 nan 0.000 0.434 406 V N 1.956 121.930 119.914 0.101 0.000 2.843 406 V HA 0.383 4.478 4.120 -0.041 0.000 0.305 406 V C -0.143 176.013 176.094 0.103 0.000 1.065 406 V CA -0.276 62.123 62.300 0.164 0.000 1.116 406 V CB 0.324 32.309 31.823 0.271 0.000 0.968 406 V HN 0.623 nan 8.190 nan 0.000 0.487 407 F N 4.499 124.437 119.950 -0.020 0.000 2.504 407 F HA 0.510 5.016 4.527 -0.036 0.000 0.369 407 F C 0.979 176.863 175.800 0.140 0.000 1.082 407 F CA 0.527 58.530 58.000 0.005 0.000 1.216 407 F CB 0.806 39.762 39.000 -0.075 0.000 1.108 407 F HN 1.015 nan 8.300 nan 0.000 0.554 408 T N 1.715 116.269 114.554 0.000 0.000 2.937 408 T HA 0.844 5.169 4.350 -0.041 0.000 0.283 408 T C -0.217 174.529 174.700 0.077 0.000 1.012 408 T CA -0.192 61.963 62.100 0.091 0.000 0.997 408 T CB 1.629 70.535 68.868 0.065 0.000 1.136 408 T HN 0.742 nan 8.240 nan 0.000 0.551 409 S N -0.500 115.208 115.700 0.014 0.000 2.757 409 S HA 0.785 5.231 4.470 -0.041 0.000 0.285 409 S C -0.664 173.890 174.600 -0.077 0.000 1.196 409 S CA -0.779 57.382 58.200 -0.065 0.000 0.856 409 S CB 0.756 63.920 63.200 -0.059 0.000 1.212 409 S HN 1.435 nan 8.310 nan 0.000 0.516 410 A N 0.366 123.103 122.820 -0.139 0.000 2.302 410 A HA 0.735 5.031 4.320 -0.041 0.000 0.285 410 A C -0.926 176.668 177.584 0.017 0.000 1.105 410 A CA -0.466 51.538 52.037 -0.054 0.000 0.816 410 A CB 0.022 18.977 19.000 -0.075 0.000 1.067 410 A HN 0.954 nan 8.150 nan 0.000 0.489 411 F N 2.642 122.568 119.950 -0.041 0.000 2.391 411 F HA 0.527 5.027 4.527 -0.045 0.000 0.359 411 F C -2.130 173.689 175.800 0.032 0.000 1.122 411 F CA -2.532 55.451 58.000 -0.028 0.000 1.120 411 F CB 0.979 39.959 39.000 -0.033 0.000 1.142 411 F HN 0.306 nan 8.300 nan 0.000 0.483 412 P HA -0.005 nan 4.420 nan 0.000 0.267 412 P C -0.973 176.172 177.300 -0.258 0.000 1.200 412 P CA -0.146 62.808 63.100 -0.242 0.000 0.772 412 P CB 0.457 32.006 31.700 -0.252 0.000 0.855 413 E N 1.614 121.770 120.200 -0.074 0.000 2.324 413 E HA 0.297 4.622 4.350 -0.041 0.000 0.271 413 E C 0.846 177.405 176.600 -0.069 0.000 1.028 413 E CA 0.344 56.723 56.400 -0.036 0.000 0.890 413 E CB -0.499 29.188 29.700 -0.022 0.000 1.004 413 E HN 0.738 nan 8.360 nan 0.000 0.431 414 G N 2.748 111.524 108.800 -0.040 0.000 2.195 414 G HA2 -0.133 3.803 3.960 -0.041 0.000 0.224 414 G HA3 -0.133 3.803 3.960 -0.041 0.000 0.224 414 G C 0.633 175.495 174.900 -0.063 0.000 0.990 414 G CA -0.130 44.947 45.100 -0.038 0.000 0.639 414 G HN 1.524 nan 8.290 nan 0.000 0.514 415 G N -1.451 107.248 108.800 -0.168 0.000 2.698 415 G HA2 0.422 4.357 3.960 -0.041 0.000 0.225 415 G HA3 0.422 4.357 3.960 -0.041 0.000 0.225 415 G C -0.151 174.526 174.900 -0.373 0.000 1.345 415 G CA 0.974 45.933 45.100 -0.234 0.000 0.871 415 G HN 2.257 nan 8.290 nan 0.000 0.540 416 S N -1.516 114.054 115.700 -0.216 0.000 2.547 416 S HA 0.621 5.067 4.470 -0.041 0.000 0.270 416 S C -0.541 174.034 174.600 -0.042 0.000 1.150 416 S CA 0.430 58.520 58.200 -0.183 0.000 0.850 416 S CB 1.804 64.815 63.200 -0.314 0.000 1.118 416 S HN 0.640 nan 8.310 nan 0.000 0.461 417 D N 1.956 122.327 120.400 -0.049 0.000 2.369 417 D HA 0.231 4.846 4.640 -0.041 0.000 0.211 417 D C 0.166 176.465 176.300 -0.001 0.000 1.077 417 D CA 0.333 54.357 54.000 0.040 0.000 0.842 417 D CB 0.122 40.955 40.800 0.055 0.000 0.947 417 D HN 0.592 nan 8.370 nan 0.000 0.509 418 N N -0.476 118.040 118.700 -0.307 0.000 2.143 418 N HA 0.215 4.930 4.740 -0.041 0.000 0.229 418 N C -0.687 174.041 175.510 -1.303 0.000 1.294 418 N CA -0.029 52.628 53.050 -0.655 0.000 0.883 418 N CB 1.479 39.840 38.487 -0.209 0.000 1.148 418 N HN -0.059 nan 8.380 nan 0.000 0.511 419 I N -0.024 119.924 120.570 -1.036 0.000 2.802 419 I HA 0.351 4.496 4.170 -0.041 0.000 0.298 419 I C -0.626 175.471 176.117 -0.033 0.000 1.176 419 I CA -0.893 60.089 61.300 -0.530 0.000 1.025 419 I CB 2.156 40.076 38.000 -0.133 0.000 1.243 419 I HN -0.056 nan 8.210 nan 0.000 0.424 420 S N 3.362 119.193 115.700 0.218 0.000 2.578 420 S HA 0.652 5.097 4.470 -0.041 0.000 0.301 420 S C -0.698 173.891 174.600 -0.018 0.000 1.091 420 S CA -0.853 57.502 58.200 0.259 0.000 1.032 420 S CB 1.786 65.203 63.200 0.363 0.000 1.064 420 S HN 0.635 nan 8.310 nan 0.000 0.508 421 Q N 1.029 120.536 119.800 -0.488 0.000 2.274 421 Q HA 0.420 4.735 4.340 -0.041 0.000 0.256 421 Q C -0.132 175.665 176.000 -0.338 0.000 0.927 421 Q CA -0.473 54.883 55.803 -0.745 0.000 0.939 421 Q CB 0.706 28.600 28.738 -1.407 0.000 1.201 421 Q HN 0.840 nan 8.270 nan 0.000 0.426 422 L N 1.792 122.845 121.223 -0.284 0.000 2.672 422 L HA 0.519 4.835 4.340 -0.041 0.000 0.236 422 L C 0.291 177.019 176.870 -0.238 0.000 1.092 422 L CA 0.015 54.727 54.840 -0.215 0.000 0.887 422 L CB 0.613 42.515 42.059 -0.261 0.000 1.168 422 L HN 0.618 nan 8.230 nan 0.000 0.502 423 A N -0.692 121.957 122.820 -0.285 0.000 2.564 423 A HA 0.618 4.913 4.320 -0.041 0.000 0.291 423 A C -2.775 174.727 177.584 -0.137 0.000 1.102 423 A CA -0.902 51.028 52.037 -0.178 0.000 0.660 423 A CB 0.441 19.311 19.000 -0.217 0.000 1.283 423 A HN -0.222 nan 8.150 nan 0.000 0.430 424 P HA 0.285 nan 4.420 nan 0.000 0.258 424 P C 1.020 178.323 177.300 0.005 0.000 1.187 424 P CA 2.394 65.484 63.100 -0.018 0.000 0.767 424 P CB 0.297 32.004 31.700 0.012 0.000 0.770 425 G N 2.387 111.216 108.800 0.048 0.000 2.189 425 G HA2 -0.283 3.653 3.960 -0.041 0.000 0.267 425 G HA3 -0.283 3.653 3.960 -0.041 0.000 0.267 425 G C -0.138 174.809 174.900 0.079 0.000 0.975 425 G CA -0.057 45.106 45.100 0.105 0.000 0.644 425 G HN 0.565 nan 8.290 nan 0.000 0.537 426 L N 1.585 122.791 121.223 -0.028 0.000 2.282 426 L HA 0.800 5.115 4.340 -0.041 0.000 0.288 426 L C 0.657 177.467 176.870 -0.099 0.000 1.033 426 L CA 0.182 54.947 54.840 -0.125 0.000 0.807 426 L CB 1.237 43.087 42.059 -0.348 0.000 1.209 426 L HN 0.375 nan 8.230 nan 0.000 0.423 427 G N 3.336 112.133 108.800 -0.005 0.000 2.511 427 G HA2 0.771 4.706 3.960 -0.041 0.000 0.318 427 G HA3 0.771 4.706 3.960 -0.041 0.000 0.318 427 G C -1.630 173.286 174.900 0.027 0.000 1.210 427 G CA -0.363 44.793 45.100 0.093 0.000 0.969 427 G HN 0.942 nan 8.290 nan 0.000 0.484 428 A N 1.438 124.311 122.820 0.090 0.000 2.522 428 A HA 0.751 5.046 4.320 -0.041 0.000 0.285 428 A C -2.817 174.890 177.584 0.204 0.000 1.198 428 A CA -1.324 50.798 52.037 0.142 0.000 0.742 428 A CB 1.575 20.652 19.000 0.129 0.000 1.176 428 A HN 0.398 nan 8.150 nan 0.000 0.444 429 P HA 0.166 nan 4.420 nan 0.000 0.265 429 P C -0.385 177.165 177.300 0.415 0.000 1.193 429 P CA 0.287 63.514 63.100 0.212 0.000 0.765 429 P CB 0.161 32.026 31.700 0.276 0.000 0.823 430 F N 3.746 123.797 119.950 0.168 0.000 2.506 430 F HA 0.213 4.717 4.527 -0.039 0.000 0.351 430 F C 1.639 177.365 175.800 -0.122 0.000 1.136 430 F CA 0.489 58.478 58.000 -0.018 0.000 1.298 430 F CB -0.455 38.559 39.000 0.023 0.000 1.145 430 F HN 0.498 nan 8.300 nan 0.000 0.593 431 H N -0.216 118.696 119.070 -0.265 0.000 2.902 431 H HA 0.506 5.038 4.556 -0.041 0.000 0.297 431 H C -1.804 173.222 175.328 -0.503 0.000 1.406 431 H CA -1.125 54.578 56.048 -0.575 0.000 1.134 431 H CB 1.346 30.346 29.762 -1.269 0.000 1.833 431 H HN 0.584 nan 8.280 nan 0.000 0.527 432 Q N 0.051 119.549 119.800 -0.503 0.000 2.484 432 Q HA 0.392 4.707 4.340 -0.041 0.000 0.285 432 Q C -1.109 174.603 176.000 -0.479 0.000 1.097 432 Q CA -1.004 54.545 55.803 -0.423 0.000 0.802 432 Q CB 2.939 31.496 28.738 -0.300 0.000 1.444 432 Q HN 0.528 nan 8.270 nan 0.000 0.429 433 H N 1.269 120.251 119.070 -0.147 0.000 2.887 433 H HA 0.436 4.967 4.556 -0.042 0.000 0.300 433 H C -0.937 174.203 175.328 -0.313 0.000 1.038 433 H CA -0.199 55.713 56.048 -0.226 0.000 1.352 433 H CB 0.634 30.384 29.762 -0.021 0.000 1.473 433 H HN 0.448 nan 8.280 nan 0.000 0.503 434 I N 4.134 124.472 120.570 -0.387 0.000 2.362 434 I HA 0.227 4.372 4.170 -0.041 0.000 0.289 434 I C -0.475 175.387 176.117 -0.425 0.000 0.994 434 I CA -0.586 60.535 61.300 -0.298 0.000 1.158 434 I CB 0.916 38.768 38.000 -0.247 0.000 1.315 434 I HN 0.171 nan 8.210 nan 0.000 0.451 435 F N 3.257 122.916 119.950 -0.484 0.000 2.440 435 F HA 0.533 5.035 4.527 -0.041 0.000 0.328 435 F C 0.652 176.202 175.800 -0.416 0.000 1.070 435 F CA -0.869 56.782 58.000 -0.580 0.000 1.011 435 F CB 1.662 39.994 39.000 -1.114 0.000 1.226 435 F HN 0.263 nan 8.300 nan 0.000 0.491 436 S N 0.990 116.674 115.700 -0.028 0.000 2.707 436 S HA 0.773 5.218 4.470 -0.041 0.000 0.303 436 S C -0.990 173.689 174.600 0.132 0.000 1.132 436 S CA -0.548 57.677 58.200 0.042 0.000 1.046 436 S CB 0.518 63.548 63.200 -0.283 0.000 1.004 436 S HN 0.853 nan 8.310 nan 0.000 0.483 437 A N 4.834 127.802 122.820 0.247 0.000 2.260 437 A HA 0.624 4.919 4.320 -0.041 0.000 0.308 437 A C 0.136 177.725 177.584 0.009 0.000 1.254 437 A CA -0.673 51.464 52.037 0.167 0.000 0.874 437 A CB 0.377 19.443 19.000 0.109 0.000 1.153 437 A HN 0.847 nan 8.150 nan 0.000 0.527 438 R N 3.602 124.037 120.500 -0.108 0.000 2.215 438 R HA 0.517 4.832 4.340 -0.041 0.000 0.336 438 R C -1.535 174.554 176.300 -0.352 0.000 0.996 438 R CA -0.331 55.490 56.100 -0.464 0.000 0.847 438 R CB 0.244 30.135 30.300 -0.681 0.000 1.127 438 R HN 0.718 nan 8.270 nan 0.000 0.465 439 L N 4.474 125.489 121.223 -0.346 0.000 2.301 439 L HA 0.256 4.571 4.340 -0.041 0.000 0.278 439 L C -0.341 176.404 176.870 -0.209 0.000 1.022 439 L CA -0.859 53.860 54.840 -0.202 0.000 0.854 439 L CB 1.452 43.456 42.059 -0.091 0.000 1.226 439 L HN 0.528 nan 8.230 nan 0.000 0.429 440 D N 5.185 125.476 120.400 -0.182 0.000 2.383 440 D HA 0.141 4.756 4.640 -0.041 0.000 0.245 440 D C 0.180 176.464 176.300 -0.027 0.000 1.263 440 D CA -0.261 53.688 54.000 -0.084 0.000 0.936 440 D CB 0.599 41.368 40.800 -0.052 0.000 1.053 440 D HN 0.169 nan 8.370 nan 0.000 0.507 441 M N 2.210 121.811 119.600 0.001 0.000 2.248 441 M HA 0.325 4.780 4.480 -0.041 0.000 0.337 441 M C 0.451 176.769 176.300 0.030 0.000 1.121 441 M CA -0.348 54.953 55.300 0.003 0.000 1.155 441 M CB 0.747 33.360 32.600 0.022 0.000 1.514 441 M HN 0.478 nan 8.290 nan 0.000 0.452 442 A N 3.634 126.403 122.820 -0.086 0.000 3.339 442 A HA 0.378 4.673 4.320 -0.041 0.000 0.219 442 A C -0.375 177.102 177.584 -0.178 0.000 0.974 442 A CA -0.552 51.338 52.037 -0.246 0.000 1.050 442 A CB 0.110 18.806 19.000 -0.506 0.000 1.271 442 A HN 0.612 nan 8.150 nan 0.000 0.565 443 I N 1.669 122.199 120.570 -0.067 0.000 2.691 443 I HA 0.047 4.193 4.170 -0.041 0.000 0.288 443 I C 0.384 176.544 176.117 0.073 0.000 1.143 443 I CA 0.846 62.167 61.300 0.035 0.000 1.364 443 I CB -0.968 37.094 38.000 0.105 0.000 1.435 443 I HN 0.480 nan 8.210 nan 0.000 0.551 444 D N 4.971 125.435 120.400 0.107 0.000 2.911 444 D HA -0.163 4.452 4.640 -0.041 0.000 0.227 444 D C 0.627 176.885 176.300 -0.070 0.000 1.164 444 D CA 1.689 55.701 54.000 0.020 0.000 0.782 444 D CB -0.728 40.060 40.800 -0.020 0.000 1.094 444 D HN 1.099 nan 8.370 nan 0.000 0.425 445 G N -2.354 106.346 108.800 -0.167 0.000 2.354 445 G HA2 -0.017 3.918 3.960 -0.041 0.000 0.582 445 G HA3 -0.017 3.918 3.960 -0.041 0.000 0.582 445 G C 0.159 174.893 174.900 -0.277 0.000 1.316 445 G CA -0.407 44.540 45.100 -0.255 0.000 0.995 445 G HN 0.010 nan 8.290 nan 0.000 0.573 446 F N 0.643 120.583 119.950 -0.017 0.000 2.710 446 F HA 0.213 4.715 4.527 -0.041 0.000 0.298 446 F C 2.277 178.075 175.800 -0.003 0.000 1.137 446 F CA 1.135 59.119 58.000 -0.026 0.000 1.444 446 F CB 0.290 39.258 39.000 -0.053 0.000 1.111 446 F HN 0.287 nan 8.300 nan 0.000 0.580 447 T N 2.755 117.397 114.554 0.147 0.000 2.978 447 T HA 0.141 4.466 4.350 -0.041 0.000 0.278 447 T C -0.039 174.713 174.700 0.086 0.000 0.945 447 T CA -0.078 62.086 62.100 0.106 0.000 1.070 447 T CB -0.565 68.346 68.868 0.073 0.000 0.948 447 T HN 0.002 nan 8.240 nan 0.000 0.617 448 N N 2.765 121.525 118.700 0.100 0.000 2.453 448 N HA 0.695 5.410 4.740 -0.041 0.000 0.290 448 N C -0.205 175.359 175.510 0.089 0.000 1.250 448 N CA -1.007 52.096 53.050 0.090 0.000 0.815 448 N CB 2.047 40.590 38.487 0.093 0.000 1.381 448 N HN 0.597 nan 8.380 nan 0.000 0.510 449 R N -1.712 118.841 120.500 0.089 0.000 2.734 449 R HA 0.737 5.052 4.340 -0.041 0.000 0.271 449 R C -1.844 174.517 176.300 0.102 0.000 1.021 449 R CA -0.843 55.311 56.100 0.090 0.000 0.893 449 R CB 0.672 31.018 30.300 0.077 0.000 1.244 449 R HN 0.184 nan 8.270 nan 0.000 0.464 450 V N 1.186 121.167 119.914 0.112 0.000 2.495 450 V HA 0.415 4.511 4.120 -0.041 0.000 0.298 450 V C -0.560 175.622 176.094 0.147 0.000 1.031 450 V CA -0.704 61.680 62.300 0.140 0.000 0.871 450 V CB 1.756 33.670 31.823 0.152 0.000 0.988 450 V HN 0.759 nan 8.190 nan 0.000 0.432 451 E N 2.572 122.865 120.200 0.154 0.000 2.222 451 E HA 0.425 4.750 4.350 -0.041 0.000 0.267 451 E C -0.915 175.762 176.600 0.129 0.000 0.884 451 E CA -0.642 55.830 56.400 0.119 0.000 0.764 451 E CB 2.807 32.547 29.700 0.067 0.000 1.169 451 E HN 0.722 nan 8.360 nan 0.000 0.413 452 E N 2.856 123.116 120.200 0.100 0.000 2.167 452 E HA 0.061 4.386 4.350 -0.041 0.000 0.284 452 E C -0.958 175.555 176.600 -0.146 0.000 1.016 452 E CA -0.252 56.115 56.400 -0.055 0.000 0.817 452 E CB 0.868 30.602 29.700 0.058 0.000 1.080 452 E HN 0.415 nan 8.360 nan 0.000 0.397 453 E N 4.343 124.383 120.200 -0.267 0.000 2.133 453 E HA 0.179 4.504 4.350 -0.041 0.000 0.274 453 E C -1.235 175.233 176.600 -0.220 0.000 0.930 453 E CA -0.777 55.511 56.400 -0.187 0.000 0.770 453 E CB 0.934 30.544 29.700 -0.150 0.000 1.104 453 E HN 0.414 nan 8.360 nan 0.000 0.403 454 D N 2.476 122.795 120.400 -0.134 0.000 2.342 454 D HA 0.277 4.892 4.640 -0.041 0.000 0.243 454 D C -0.590 175.675 176.300 -0.057 0.000 1.019 454 D CA -0.556 53.377 54.000 -0.113 0.000 0.864 454 D CB 2.163 42.913 40.800 -0.084 0.000 1.315 454 D HN 0.161 nan 8.370 nan 0.000 0.468 455 V N 1.234 121.118 119.914 -0.050 0.000 2.775 455 V HA 0.258 4.353 4.120 -0.041 0.000 0.299 455 V C 0.090 176.188 176.094 0.007 0.000 1.062 455 V CA -0.283 62.011 62.300 -0.009 0.000 1.063 455 V CB 1.538 33.330 31.823 -0.052 0.000 0.994 455 V HN 0.268 nan 8.190 nan 0.000 0.483 456 V N 5.926 125.874 119.914 0.058 0.000 2.376 456 V HA 0.433 4.528 4.120 -0.041 0.000 0.287 456 V C 0.187 176.334 176.094 0.088 0.000 1.015 456 V CA -0.798 61.533 62.300 0.052 0.000 0.834 456 V CB 1.485 33.335 31.823 0.045 0.000 1.001 456 V HN 0.810 nan 8.190 nan 0.000 0.428 457 R N 3.439 123.970 120.500 0.053 0.000 2.490 457 R HA 0.540 4.855 4.340 -0.041 0.000 0.278 457 R C -0.494 175.844 176.300 0.063 0.000 1.069 457 R CA -0.421 55.718 56.100 0.066 0.000 1.080 457 R CB 1.013 31.326 30.300 0.022 0.000 1.030 457 R HN 0.668 nan 8.270 nan 0.000 0.491 458 Q N 0.499 120.345 119.800 0.076 0.000 2.365 458 Q HA 0.291 4.607 4.340 -0.041 0.000 0.269 458 Q C -0.766 175.258 176.000 0.039 0.000 1.061 458 Q CA -0.693 55.141 55.803 0.051 0.000 0.816 458 Q CB 2.579 31.347 28.738 0.049 0.000 1.325 458 Q HN 0.472 nan 8.270 nan 0.000 0.446 459 T N 1.994 116.563 114.554 0.025 0.000 2.910 459 T HA 0.245 4.570 4.350 -0.041 0.000 0.293 459 T C 0.086 174.796 174.700 0.018 0.000 1.015 459 T CA -0.418 61.694 62.100 0.019 0.000 1.094 459 T CB 0.534 69.410 68.868 0.013 0.000 0.968 459 T HN 0.471 nan 8.240 nan 0.000 0.521 460 M N 2.671 122.281 119.600 0.016 0.000 2.239 460 M HA 0.452 4.907 4.480 -0.041 0.000 0.348 460 M C 0.436 176.742 176.300 0.009 0.000 1.239 460 M CA 0.777 56.085 55.300 0.014 0.000 1.114 460 M CB -0.459 32.149 32.600 0.013 0.000 1.641 460 M HN 0.914 nan 8.290 nan 0.000 0.453 461 G N 4.483 113.288 108.800 0.007 0.000 2.367 461 G HA2 0.212 4.148 3.960 -0.041 0.000 0.272 461 G HA3 0.212 4.148 3.960 -0.041 0.000 0.272 461 G C -3.398 171.504 174.900 0.003 0.000 1.271 461 G CA -1.102 44.001 45.100 0.005 0.000 0.893 461 G HN 0.417 nan 8.290 nan 0.000 0.485 462 P HA 0.321 nan 4.420 nan 0.000 0.261 462 P C 0.962 178.261 177.300 -0.002 0.000 1.183 462 P CA 2.321 65.421 63.100 -0.000 0.000 0.761 462 P CB 0.716 32.416 31.700 -0.000 0.000 0.785 463 G N 2.780 111.578 108.800 -0.004 0.000 2.176 463 G HA2 -0.272 3.663 3.960 -0.041 0.000 0.253 463 G HA3 -0.272 3.663 3.960 -0.041 0.000 0.253 463 G C 0.466 175.362 174.900 -0.008 0.000 0.979 463 G CA 0.316 45.412 45.100 -0.007 0.000 0.641 463 G HN 0.670 nan 8.290 nan 0.000 0.530 464 N N -0.215 118.483 118.700 -0.003 0.000 2.609 464 N HA 0.319 5.034 4.740 -0.041 0.000 0.251 464 N C 0.917 176.429 175.510 0.003 0.000 1.526 464 N CA 0.458 53.507 53.050 -0.001 0.000 0.931 464 N CB 0.382 38.870 38.487 0.003 0.000 1.460 464 N HN 0.081 nan 8.380 nan 0.000 0.526 465 E N 0.132 120.333 120.200 0.001 0.000 2.160 465 E HA -0.031 4.294 4.350 -0.041 0.000 0.195 465 E C 1.278 177.881 176.600 0.005 0.000 0.991 465 E CA 1.229 57.630 56.400 0.003 0.000 0.810 465 E CB 0.096 29.797 29.700 0.001 0.000 0.742 465 E HN 0.411 nan 8.360 nan 0.000 0.466 466 R N -0.944 119.560 120.500 0.006 0.000 2.276 466 R HA 0.133 4.448 4.340 -0.041 0.000 0.196 466 R C 0.806 177.115 176.300 0.015 0.000 0.961 466 R CA 0.555 56.661 56.100 0.009 0.000 1.024 466 R CB 0.256 30.561 30.300 0.008 0.000 0.940 466 R HN 0.249 nan 8.270 nan 0.000 0.480 467 G N 2.163 110.973 108.800 0.018 0.000 2.246 467 G HA2 -0.281 3.654 3.960 -0.041 0.000 0.273 467 G HA3 -0.281 3.654 3.960 -0.041 0.000 0.273 467 G C 0.370 175.295 174.900 0.042 0.000 1.055 467 G CA 0.645 45.761 45.100 0.026 0.000 0.851 467 G HN 0.566 nan 8.290 nan 0.000 0.500 468 N N -0.549 118.177 118.700 0.042 0.000 2.294 468 N HA 0.374 5.089 4.740 -0.041 0.000 0.186 468 N C 1.121 176.687 175.510 0.093 0.000 1.107 468 N CA 0.737 53.827 53.050 0.068 0.000 0.884 468 N CB 0.046 38.559 38.487 0.044 0.000 1.030 468 N HN 1.008 nan 8.380 nan 0.000 0.482 469 A N 0.944 123.790 122.820 0.043 0.000 2.445 469 A HA 0.459 4.755 4.320 -0.041 0.000 0.242 469 A C -0.463 177.189 177.584 0.115 0.000 1.075 469 A CA -0.200 51.835 52.037 -0.002 0.000 0.777 469 A CB -0.339 18.644 19.000 -0.030 0.000 1.013 469 A HN 0.470 nan 8.150 nan 0.000 0.493 470 F N -0.090 119.855 119.950 -0.009 0.000 2.654 470 F HA 0.791 5.293 4.527 -0.041 0.000 0.308 470 F C -0.321 175.471 175.800 -0.012 0.000 1.108 470 F CA -0.413 57.581 58.000 -0.011 0.000 0.957 470 F CB 0.893 39.886 39.000 -0.011 0.000 1.309 470 F HN 0.618 nan 8.300 nan 0.000 0.446 471 S N 1.012 116.849 115.700 0.229 0.000 3.331 471 S HA 0.860 5.305 4.470 -0.041 0.000 0.316 471 S C -1.496 173.198 174.600 0.157 0.000 1.104 471 S CA -0.658 57.601 58.200 0.100 0.000 0.977 471 S CB 1.441 64.655 63.200 0.025 0.000 1.370 471 S HN 1.170 nan 8.310 nan 0.000 0.731 472 R N 0.624 121.167 120.500 0.070 0.000 2.692 472 R HA 0.568 4.883 4.340 -0.041 0.000 0.269 472 R C -2.093 174.216 176.300 0.015 0.000 1.030 472 R CA -0.876 55.251 56.100 0.046 0.000 0.882 472 R CB 1.176 31.501 30.300 0.042 0.000 1.250 472 R HN 0.721 nan 8.270 nan 0.000 0.465 473 K N 1.699 122.098 120.400 -0.002 0.000 2.469 473 K HA 0.592 4.887 4.320 -0.041 0.000 0.254 473 K C -1.149 175.440 176.600 -0.018 0.000 0.939 473 K CA -1.137 55.146 56.287 -0.006 0.000 0.812 473 K CB 2.796 35.294 32.500 -0.004 0.000 1.301 473 K HN 0.617 nan 8.250 nan 0.000 0.433 474 R N 1.060 121.555 120.500 -0.009 0.000 2.534 474 R HA 0.370 4.685 4.340 -0.041 0.000 0.301 474 R C -1.146 175.159 176.300 0.008 0.000 0.961 474 R CA -0.879 55.216 56.100 -0.008 0.000 0.871 474 R CB 2.529 32.829 30.300 -0.000 0.000 1.170 474 R HN 0.661 nan 8.270 nan 0.000 0.446 475 T N 2.356 116.919 114.554 0.016 0.000 2.791 475 T HA 0.223 4.548 4.350 -0.041 0.000 0.288 475 T C -0.031 174.702 174.700 0.056 0.000 0.999 475 T CA -0.577 61.543 62.100 0.033 0.000 0.952 475 T CB 1.569 70.457 68.868 0.033 0.000 0.938 475 T HN 0.138 nan 8.240 nan 0.000 0.444 476 V N 5.131 125.077 119.914 0.053 0.000 2.555 476 V HA 0.227 4.322 4.120 -0.041 0.000 0.286 476 V C 0.329 176.465 176.094 0.071 0.000 1.044 476 V CA -0.472 61.867 62.300 0.065 0.000 1.026 476 V CB 0.523 32.378 31.823 0.053 0.000 0.981 476 V HN 0.711 nan 8.190 nan 0.000 0.480 477 L N 5.460 126.736 121.223 0.087 0.000 2.261 477 L HA 0.299 4.614 4.340 -0.041 0.000 0.289 477 L C 1.384 178.298 176.870 0.073 0.000 1.059 477 L CA -0.151 54.739 54.840 0.083 0.000 0.816 477 L CB 1.111 43.231 42.059 0.100 0.000 1.191 477 L HN 0.902 nan 8.230 nan 0.000 0.431 478 T N -0.720 113.870 114.554 0.060 0.000 3.040 478 T HA 0.203 4.528 4.350 -0.041 0.000 0.252 478 T C 0.930 175.662 174.700 0.055 0.000 1.064 478 T CA -0.020 62.113 62.100 0.055 0.000 1.110 478 T CB 0.375 69.270 68.868 0.045 0.000 0.921 478 T HN 0.326 nan 8.240 nan 0.000 0.480 479 R N 0.664 121.196 120.500 0.054 0.000 2.771 479 R HA 0.429 4.744 4.340 -0.041 0.000 0.274 479 R C 0.484 176.820 176.300 0.060 0.000 0.987 479 R CA -0.511 55.621 56.100 0.053 0.000 0.908 479 R CB 1.669 31.994 30.300 0.042 0.000 1.213 479 R HN 0.228 nan 8.270 nan 0.000 0.468 480 E N 0.404 120.646 120.200 0.069 0.000 2.160 480 E HA -0.182 4.143 4.350 -0.041 0.000 0.195 480 E C 1.385 178.023 176.600 0.064 0.000 0.991 480 E CA 1.925 58.375 56.400 0.083 0.000 0.810 480 E CB 0.144 29.902 29.700 0.097 0.000 0.742 480 E HN 0.629 nan 8.360 nan 0.000 0.466 481 S N 1.258 116.986 115.700 0.048 0.000 2.442 481 S HA -0.192 4.254 4.470 -0.041 0.000 0.236 481 S C 1.592 176.200 174.600 0.013 0.000 1.007 481 S CA 1.389 59.607 58.200 0.030 0.000 0.965 481 S CB -0.338 62.878 63.200 0.026 0.000 0.773 481 S HN 0.475 nan 8.310 nan 0.000 0.504 482 E N 0.231 120.443 120.200 0.020 0.000 2.548 482 E HA 0.536 4.861 4.350 -0.041 0.000 0.206 482 E C 0.718 177.324 176.600 0.010 0.000 1.005 482 E CA 0.158 56.564 56.400 0.011 0.000 0.951 482 E CB 0.411 30.126 29.700 0.024 0.000 1.035 482 E HN 0.487 nan 8.360 nan 0.000 0.470 483 A N 1.103 123.928 122.820 0.009 0.000 2.708 483 A HA 0.347 4.642 4.320 -0.041 0.000 0.293 483 A C -0.005 177.528 177.584 -0.085 0.000 1.303 483 A CA -0.298 51.745 52.037 0.009 0.000 0.949 483 A CB 0.247 19.290 19.000 0.072 0.000 1.121 483 A HN 0.114 nan 8.150 nan 0.000 0.542 484 V N 2.696 122.489 119.914 -0.201 0.000 2.284 484 V HA 0.377 4.472 4.120 -0.041 0.000 0.274 484 V C -0.499 175.365 176.094 -0.383 0.000 1.023 484 V CA -0.737 61.250 62.300 -0.522 0.000 0.808 484 V CB 0.580 32.024 31.823 -0.631 0.000 1.035 484 V HN 0.509 nan 8.190 nan 0.000 0.445 485 R N 2.907 123.197 120.500 -0.351 0.000 2.668 485 R HA 0.710 5.026 4.340 -0.041 0.000 0.279 485 R C -0.398 175.854 176.300 -0.080 0.000 0.976 485 R CA -0.681 55.347 56.100 -0.119 0.000 0.978 485 R CB 1.858 32.205 30.300 0.078 0.000 1.133 485 R HN 0.610 nan 8.270 nan 0.000 0.484 486 E N 0.411 120.666 120.200 0.090 0.000 2.212 486 E HA 0.553 4.879 4.350 -0.041 0.000 0.270 486 E C -0.583 176.214 176.600 0.327 0.000 0.956 486 E CA -0.892 55.587 56.400 0.132 0.000 0.825 486 E CB 2.125 31.866 29.700 0.068 0.000 1.167 486 E HN 0.638 nan 8.360 nan 0.000 0.400 487 A N 1.613 124.630 122.820 0.328 0.000 2.313 487 A HA 0.256 4.551 4.320 -0.041 0.000 0.261 487 A C -0.235 177.452 177.584 0.172 0.000 1.090 487 A CA -0.044 52.217 52.037 0.373 0.000 0.807 487 A CB 0.447 19.659 19.000 0.354 0.000 1.055 487 A HN 0.607 nan 8.150 nan 0.000 0.492 488 D N 0.030 120.482 120.400 0.086 0.000 2.584 488 D HA 0.395 5.011 4.640 -0.041 0.000 0.238 488 D C 0.701 177.002 176.300 0.001 0.000 1.302 488 D CA 0.297 54.315 54.000 0.030 0.000 0.884 488 D CB 0.793 41.591 40.800 -0.003 0.000 1.456 488 D HN 0.483 nan 8.370 nan 0.000 0.528 489 A N 2.824 125.663 122.820 0.032 0.000 1.978 489 A HA -0.175 4.121 4.320 -0.041 0.000 0.220 489 A C 2.052 179.632 177.584 -0.007 0.000 1.170 489 A CA 1.352 53.402 52.037 0.022 0.000 0.636 489 A CB -0.207 18.821 19.000 0.045 0.000 0.810 489 A HN 0.497 nan 8.150 nan 0.000 0.448 490 R N -0.223 120.272 120.500 -0.009 0.000 2.120 490 R HA -0.113 4.202 4.340 -0.041 0.000 0.234 490 R C 1.686 177.961 176.300 -0.042 0.000 1.123 490 R CA 1.860 57.946 56.100 -0.023 0.000 0.975 490 R CB -0.297 29.994 30.300 -0.016 0.000 0.866 490 R HN 0.600 nan 8.270 nan 0.000 0.446 491 T N -3.341 111.185 114.554 -0.047 0.000 3.186 491 T HA 0.218 4.543 4.350 -0.041 0.000 0.257 491 T C 0.847 175.497 174.700 -0.083 0.000 1.029 491 T CA 0.207 62.269 62.100 -0.063 0.000 0.916 491 T CB 0.675 69.508 68.868 -0.058 0.000 1.041 491 T HN 0.347 nan 8.240 nan 0.000 0.562 492 G N 2.399 111.154 108.800 -0.075 0.000 2.356 492 G HA2 -0.342 3.593 3.960 -0.041 0.000 0.296 492 G HA3 -0.342 3.593 3.960 -0.041 0.000 0.296 492 G C 0.020 174.835 174.900 -0.141 0.000 1.022 492 G CA 0.281 45.334 45.100 -0.078 0.000 0.961 492 G HN 0.916 nan 8.290 nan 0.000 0.510 493 R N 0.482 120.860 120.500 -0.203 0.000 2.522 493 R HA 0.447 4.762 4.340 -0.041 0.000 0.284 493 R C 0.859 176.785 176.300 -0.622 0.000 1.032 493 R CA 0.914 56.769 56.100 -0.408 0.000 1.049 493 R CB 0.272 30.312 30.300 -0.433 0.000 0.956 493 R HN 0.467 nan 8.270 nan 0.000 0.422 494 T N 0.581 114.676 114.554 -0.765 0.000 2.838 494 T HA 0.525 4.850 4.350 -0.041 0.000 0.292 494 T C -1.040 173.130 174.700 -0.885 0.000 1.113 494 T CA -0.957 60.705 62.100 -0.730 0.000 1.008 494 T CB 1.233 69.830 68.868 -0.452 0.000 1.259 494 T HN 0.557 nan 8.240 nan 0.000 0.520 495 W N 0.659 121.897 121.300 -0.102 0.000 2.739 495 W HA 0.592 5.227 4.660 -0.041 0.000 0.331 495 W C -1.116 175.377 176.519 -0.044 0.000 1.049 495 W CA -1.168 56.145 57.345 -0.053 0.000 1.234 495 W CB 1.656 31.095 29.460 -0.035 0.000 1.404 495 W HN 0.584 nan 8.180 nan 0.000 0.477 496 I N 4.975 125.635 120.570 0.150 0.000 2.354 496 I HA 0.280 4.426 4.170 -0.041 0.000 0.292 496 I C -0.062 176.140 176.117 0.142 0.000 0.989 496 I CA -0.943 60.424 61.300 0.112 0.000 1.188 496 I CB 1.363 39.398 38.000 0.058 0.000 1.342 496 I HN 0.047 nan 8.210 nan 0.000 0.457 497 I N 5.766 126.425 120.570 0.148 0.000 2.307 497 I HA 0.290 4.435 4.170 -0.041 0.000 0.289 497 I C 0.425 176.624 176.117 0.136 0.000 1.021 497 I CA -0.010 61.371 61.300 0.134 0.000 1.224 497 I CB 0.684 38.757 38.000 0.120 0.000 1.376 497 I HN 0.591 nan 8.210 nan 0.000 0.470 498 S N 5.372 121.140 115.700 0.114 0.000 2.677 498 S HA 0.563 5.008 4.470 -0.041 0.000 0.304 498 S C -0.521 174.133 174.600 0.090 0.000 1.108 498 S CA -0.866 57.399 58.200 0.108 0.000 0.944 498 S CB 2.819 66.070 63.200 0.085 0.000 1.127 498 S HN 0.564 nan 8.310 nan 0.000 0.511 499 N N 1.710 120.456 118.700 0.077 0.000 2.518 499 N HA 0.371 5.086 4.740 -0.041 0.000 0.254 499 N C -2.092 173.439 175.510 0.035 0.000 0.979 499 N CA -2.244 50.839 53.050 0.054 0.000 0.930 499 N CB 1.745 40.257 38.487 0.042 0.000 1.152 499 N HN 0.398 nan 8.380 nan 0.000 0.505 500 P HA -0.031 nan 4.420 nan 0.000 0.230 500 P C 0.109 177.418 177.300 0.015 0.000 1.158 500 P CA 1.036 64.152 63.100 0.026 0.000 0.769 500 P CB 0.562 32.282 31.700 0.032 0.000 0.807 501 E N -0.955 119.253 120.200 0.013 0.000 2.498 501 E HA 0.139 4.464 4.350 -0.041 0.000 0.203 501 E C 0.110 176.703 176.600 -0.012 0.000 1.013 501 E CA -0.085 56.317 56.400 0.004 0.000 0.927 501 E CB 0.437 30.143 29.700 0.011 0.000 1.012 501 E HN -0.012 nan 8.360 nan 0.000 0.482 502 S N 1.072 116.760 115.700 -0.020 0.000 2.756 502 S HA 0.339 4.784 4.470 -0.041 0.000 0.303 502 S C -1.009 173.555 174.600 -0.061 0.000 1.135 502 S CA -0.729 57.441 58.200 -0.050 0.000 1.066 502 S CB 0.423 63.582 63.200 -0.068 0.000 1.008 502 S HN -0.036 nan 8.310 nan 0.000 0.482 503 K N 2.825 123.186 120.400 -0.065 0.000 2.208 503 K HA 0.448 4.743 4.320 -0.041 0.000 0.247 503 K C -0.158 176.389 176.600 -0.087 0.000 0.953 503 K CA -1.066 55.184 56.287 -0.063 0.000 0.837 503 K CB 1.004 33.481 32.500 -0.038 0.000 1.131 503 K HN 0.739 nan 8.250 nan 0.000 0.431 504 N N 0.286 118.936 118.700 -0.083 0.000 2.364 504 N HA 0.030 4.745 4.740 -0.041 0.000 0.264 504 N C 0.672 176.150 175.510 -0.054 0.000 1.263 504 N CA -0.555 52.443 53.050 -0.087 0.000 0.959 504 N CB 0.335 38.777 38.487 -0.075 0.000 1.204 504 N HN 0.584 nan 8.380 nan 0.000 0.550 505 R N -0.571 119.904 120.500 -0.042 0.000 2.293 505 R HA -0.010 4.305 4.340 -0.041 0.000 0.219 505 R C 0.378 176.665 176.300 -0.021 0.000 1.091 505 R CA 1.109 57.192 56.100 -0.028 0.000 1.004 505 R CB -0.712 29.577 30.300 -0.019 0.000 0.865 505 R HN 0.579 nan 8.270 nan 0.000 0.469 506 L N 1.163 122.374 121.223 -0.021 0.000 2.685 506 L HA 0.154 4.469 4.340 -0.041 0.000 0.233 506 L C 0.220 177.080 176.870 -0.017 0.000 1.173 506 L CA -0.081 54.750 54.840 -0.016 0.000 0.961 506 L CB -0.648 41.403 42.059 -0.012 0.000 1.217 506 L HN 0.448 nan 8.230 nan 0.000 0.478 507 N N 1.406 120.094 118.700 -0.021 0.000 2.754 507 N HA -0.203 4.512 4.740 -0.041 0.000 0.248 507 N C 0.016 175.516 175.510 -0.016 0.000 1.093 507 N CA 0.276 53.315 53.050 -0.019 0.000 0.699 507 N CB -0.133 38.345 38.487 -0.014 0.000 1.016 507 N HN 0.371 nan 8.380 nan 0.000 0.552 508 E N 0.330 120.519 120.200 -0.019 0.000 2.199 508 E HA 0.500 4.825 4.350 -0.041 0.000 0.269 508 E C -2.651 173.940 176.600 -0.016 0.000 0.899 508 E CA -2.075 54.317 56.400 -0.012 0.000 0.772 508 E CB 1.354 31.049 29.700 -0.009 0.000 1.155 508 E HN 0.016 nan 8.360 nan 0.000 0.408 509 P HA -0.040 nan 4.420 nan 0.000 0.264 509 P C -0.666 176.639 177.300 0.009 0.000 1.193 509 P CA -0.125 62.976 63.100 0.002 0.000 0.763 509 P CB 0.342 32.053 31.700 0.018 0.000 0.810 510 V N 1.979 121.890 119.914 -0.006 0.000 2.811 510 V HA 0.769 4.864 4.120 -0.041 0.000 0.302 510 V C 0.542 176.724 176.094 0.148 0.000 1.063 510 V CA 0.217 62.529 62.300 0.021 0.000 1.088 510 V CB 0.451 32.200 31.823 -0.123 0.000 0.982 510 V HN 0.723 nan 8.190 nan 0.000 0.485 511 G N 2.236 111.170 108.800 0.223 0.000 2.608 511 G HA2 0.597 4.532 3.960 -0.041 0.000 0.291 511 G HA3 0.597 4.532 3.960 -0.041 0.000 0.291 511 G C -2.340 172.685 174.900 0.208 0.000 1.425 511 G CA -0.742 44.495 45.100 0.229 0.000 0.787 511 G HN 0.739 nan 8.290 nan 0.000 0.484 512 Y N 0.010 120.328 120.300 0.030 0.000 2.442 512 Y HA 0.592 5.117 4.550 -0.041 0.000 0.344 512 Y C 0.146 176.070 175.900 0.039 0.000 0.976 512 Y CA -0.794 57.308 58.100 0.004 0.000 1.040 512 Y CB 2.702 41.133 38.460 -0.049 0.000 1.228 512 Y HN 0.499 nan 8.280 nan 0.000 0.451 513 K N 4.242 124.696 120.400 0.089 0.000 2.213 513 K HA 0.495 4.790 4.320 -0.041 0.000 0.270 513 K C -1.553 175.071 176.600 0.041 0.000 1.002 513 K CA -0.835 55.464 56.287 0.020 0.000 0.868 513 K CB 0.862 33.308 32.500 -0.090 0.000 1.093 513 K HN 0.615 nan 8.250 nan 0.000 0.454 514 L N 5.268 126.518 121.223 0.044 0.000 2.281 514 L HA 0.271 4.586 4.340 -0.041 0.000 0.285 514 L C -1.331 175.531 176.870 -0.013 0.000 1.074 514 L CA 0.086 54.989 54.840 0.104 0.000 0.817 514 L CB 0.343 42.478 42.059 0.127 0.000 1.168 514 L HN 0.651 nan 8.230 nan 0.000 0.434 515 H N 4.430 123.603 119.070 0.172 0.000 2.541 515 H HA 0.715 5.246 4.556 -0.041 0.000 0.316 515 H C -0.038 175.420 175.328 0.217 0.000 1.043 515 H CA 0.019 56.164 56.048 0.161 0.000 1.232 515 H CB 1.288 31.131 29.762 0.134 0.000 1.406 515 H HN 0.873 nan 8.280 nan 0.000 0.469 516 A N 2.216 125.233 122.820 0.327 0.000 2.269 516 A HA 0.229 4.524 4.320 -0.041 0.000 0.319 516 A C 0.323 178.196 177.584 0.481 0.000 1.110 516 A CA -0.599 51.669 52.037 0.386 0.000 0.847 516 A CB 0.542 19.811 19.000 0.448 0.000 1.161 516 A HN 1.023 nan 8.150 nan 0.000 0.497 517 H N 0.676 119.926 119.070 0.300 0.000 2.548 517 H HA 0.008 4.539 4.556 -0.042 0.000 0.265 517 H C -0.142 175.305 175.328 0.197 0.000 0.969 517 H CA 0.163 56.337 56.048 0.211 0.000 1.155 517 H CB 0.171 30.049 29.762 0.193 0.000 1.394 517 H HN 0.737 nan 8.280 nan 0.000 0.570 518 N N 2.185 121.104 118.700 0.366 0.000 2.727 518 N HA -0.170 4.545 4.740 -0.041 0.000 0.249 518 N C -0.532 175.109 175.510 0.217 0.000 1.048 518 N CA 0.613 53.826 53.050 0.271 0.000 0.714 518 N CB -0.816 37.790 38.487 0.197 0.000 0.959 518 N HN 0.540 nan 8.380 nan 0.000 0.544 519 Q N -0.250 119.695 119.800 0.241 0.000 2.317 519 Q HA 0.389 4.704 4.340 -0.041 0.000 0.229 519 Q C -1.840 174.241 176.000 0.135 0.000 0.984 519 Q CA -1.134 54.776 55.803 0.178 0.000 0.911 519 Q CB 0.261 29.117 28.738 0.197 0.000 1.217 519 Q HN 0.122 nan 8.270 nan 0.000 0.501 520 P HA 0.005 nan 4.420 nan 0.000 0.269 520 P C -0.267 177.054 177.300 0.036 0.000 1.209 520 P CA 0.235 63.370 63.100 0.059 0.000 0.776 520 P CB 0.500 32.224 31.700 0.039 0.000 0.876 521 T N -0.030 114.537 114.554 0.022 0.000 2.888 521 T HA 0.334 4.659 4.350 -0.041 0.000 0.283 521 T C 0.252 174.916 174.700 -0.061 0.000 1.013 521 T CA -0.944 61.147 62.100 -0.015 0.000 0.938 521 T CB 0.077 68.947 68.868 0.002 0.000 1.298 521 T HN 0.173 nan 8.240 nan 0.000 0.580 522 L N 1.055 122.213 121.223 -0.109 0.000 2.667 522 L HA 0.085 4.400 4.340 -0.041 0.000 0.278 522 L C 0.827 177.652 176.870 -0.075 0.000 1.217 522 L CA 0.313 55.076 54.840 -0.129 0.000 0.935 522 L CB -0.550 41.408 42.059 -0.168 0.000 1.193 522 L HN 0.658 nan 8.230 nan 0.000 0.493 523 L N 4.994 126.175 121.223 -0.069 0.000 2.375 523 L HA 0.213 4.528 4.340 -0.041 0.000 0.215 523 L C 1.449 178.310 176.870 -0.015 0.000 1.108 523 L CA 0.244 55.067 54.840 -0.030 0.000 0.830 523 L CB -0.504 41.544 42.059 -0.020 0.000 0.959 523 L HN 0.844 nan 8.230 nan 0.000 0.457 524 A N 0.628 123.430 122.820 -0.029 0.000 2.547 524 A HA -0.101 4.194 4.320 -0.041 0.000 0.233 524 A C 0.282 177.866 177.584 -0.000 0.000 1.067 524 A CA -0.076 51.956 52.037 -0.008 0.000 0.763 524 A CB -0.048 18.944 19.000 -0.014 0.000 1.007 524 A HN 0.266 nan 8.150 nan 0.000 0.506 525 D N 1.452 121.861 120.400 0.014 0.000 2.488 525 D HA 0.057 4.672 4.640 -0.041 0.000 0.238 525 D C -1.511 174.793 176.300 0.006 0.000 1.138 525 D CA -1.055 52.954 54.000 0.014 0.000 0.873 525 D CB 0.841 41.654 40.800 0.023 0.000 1.183 525 D HN 0.151 nan 8.370 nan 0.000 0.458 526 P HA -0.034 nan 4.420 nan 0.000 0.221 526 P C 0.910 178.209 177.300 -0.002 0.000 1.145 526 P CA 0.907 64.006 63.100 -0.001 0.000 0.795 526 P CB 0.185 31.885 31.700 0.001 0.000 0.775 527 G N -1.096 107.705 108.800 0.003 0.000 3.189 527 G HA2 0.051 3.986 3.960 -0.041 0.000 0.225 527 G HA3 0.051 3.986 3.960 -0.041 0.000 0.225 527 G C 0.349 175.249 174.900 -0.000 0.000 1.159 527 G CA 0.017 45.117 45.100 0.000 0.000 0.763 527 G HN 0.350 nan 8.290 nan 0.000 0.549 528 S N -0.666 115.037 115.700 0.006 0.000 2.603 528 S HA 0.348 4.794 4.470 -0.041 0.000 0.268 528 S C 1.516 176.101 174.600 -0.025 0.000 1.317 528 S CA 0.384 58.593 58.200 0.015 0.000 1.012 528 S CB 1.779 65.002 63.200 0.039 0.000 0.926 528 S HN 0.047 nan 8.310 nan 0.000 0.539 529 S N 0.602 116.263 115.700 -0.064 0.000 2.368 529 S HA -0.140 4.305 4.470 -0.041 0.000 0.225 529 S C 1.671 176.216 174.600 -0.092 0.000 1.030 529 S CA 1.187 59.275 58.200 -0.186 0.000 0.999 529 S CB -0.785 62.086 63.200 -0.549 0.000 0.844 529 S HN 0.703 nan 8.310 nan 0.000 0.459 530 I N 2.060 122.622 120.570 -0.014 0.000 2.361 530 I HA 0.012 4.157 4.170 -0.041 0.000 0.251 530 I C 2.270 178.388 176.117 0.001 0.000 1.133 530 I CA 1.262 62.582 61.300 0.034 0.000 1.413 530 I CB -0.902 37.124 38.000 0.043 0.000 1.073 530 I HN 0.321 nan 8.210 nan 0.000 0.424 531 A N 0.203 123.013 122.820 -0.018 0.000 2.015 531 A HA -0.160 4.135 4.320 -0.041 0.000 0.219 531 A C 2.384 179.956 177.584 -0.021 0.000 1.163 531 A CA 1.484 53.502 52.037 -0.031 0.000 0.646 531 A CB -0.509 18.478 19.000 -0.021 0.000 0.806 531 A HN 0.486 nan 8.150 nan 0.000 0.448 532 R N -0.940 119.549 120.500 -0.018 0.000 2.090 532 R HA 0.099 4.415 4.340 -0.041 0.000 0.219 532 R C 2.276 178.577 176.300 0.002 0.000 1.100 532 R CA 0.951 57.040 56.100 -0.018 0.000 0.991 532 R CB -0.221 30.055 30.300 -0.041 0.000 0.893 532 R HN 0.391 nan 8.270 nan 0.000 0.443 533 R N 0.527 121.045 120.500 0.029 0.000 2.148 533 R HA 0.069 4.384 4.340 -0.041 0.000 0.223 533 R C 0.842 177.254 176.300 0.188 0.000 1.088 533 R CA 1.174 57.323 56.100 0.081 0.000 0.985 533 R CB 0.185 30.552 30.300 0.112 0.000 0.880 533 R HN 0.094 nan 8.270 nan 0.000 0.451 534 A N 0.129 123.058 122.820 0.181 0.000 2.985 534 A HA 0.503 4.798 4.320 -0.041 0.000 0.303 534 A C 1.148 178.630 177.584 -0.170 0.000 1.048 534 A CA -0.078 52.041 52.037 0.136 0.000 1.016 534 A CB 0.323 19.322 19.000 -0.001 0.000 1.118 534 A HN 0.229 nan 8.150 nan 0.000 0.529 535 A N 0.320 123.112 122.820 -0.047 0.000 1.986 535 A HA -0.078 4.218 4.320 -0.041 0.000 0.220 535 A C 1.796 179.363 177.584 -0.028 0.000 1.171 535 A CA 1.858 53.876 52.037 -0.033 0.000 0.640 535 A CB -0.971 18.034 19.000 0.009 0.000 0.811 535 A HN 1.399 nan 8.150 nan 0.000 0.451 536 F N -0.144 119.681 119.950 -0.207 0.000 2.202 536 F HA -0.002 4.500 4.527 -0.042 0.000 0.301 536 F C 2.028 177.890 175.800 0.105 0.000 1.082 536 F CA 0.879 58.672 58.000 -0.344 0.000 1.313 536 F CB -0.903 37.785 39.000 -0.521 0.000 1.024 536 F HN 0.148 nan 8.300 nan 0.000 0.495 537 A N 0.462 122.555 122.820 -1.211 0.000 2.209 537 A HA -0.013 4.282 4.320 -0.041 0.000 0.212 537 A C 2.096 179.527 177.584 -0.255 0.000 1.158 537 A CA 1.330 52.869 52.037 -0.829 0.000 0.742 537 A CB -1.489 16.873 19.000 -1.062 0.000 0.790 537 A HN 0.594 nan 8.150 nan 0.000 0.472 538 T N -3.497 111.009 114.554 -0.080 0.000 3.081 538 T HA 0.183 4.508 4.350 -0.041 0.000 0.255 538 T C 0.604 175.327 174.700 0.038 0.000 1.113 538 T CA 0.225 62.323 62.100 -0.004 0.000 1.082 538 T CB 0.111 68.991 68.868 0.021 0.000 0.939 538 T HN 0.117 nan 8.240 nan 0.000 0.506 539 K N 1.215 121.694 120.400 0.132 0.000 2.426 539 K HA 0.401 4.696 4.320 -0.041 0.000 0.251 539 K C -0.484 176.174 176.600 0.097 0.000 0.941 539 K CA -0.496 55.778 56.287 -0.021 0.000 0.808 539 K CB 2.130 34.349 32.500 -0.468 0.000 1.265 539 K HN -0.037 nan 8.250 nan 0.000 0.432 540 D N 0.435 120.852 120.400 0.029 0.000 2.183 540 D HA -0.030 4.585 4.640 -0.041 0.000 0.203 540 D C 0.018 176.365 176.300 0.078 0.000 0.969 540 D CA 0.858 54.922 54.000 0.107 0.000 0.842 540 D CB 0.287 41.198 40.800 0.186 0.000 0.957 540 D HN 0.138 nan 8.370 nan 0.000 0.484 541 L N -0.258 120.852 121.223 -0.189 0.000 2.464 541 L HA 0.443 4.758 4.340 -0.041 0.000 0.266 541 L C -1.961 174.774 176.870 -0.225 0.000 0.965 541 L CA -0.659 54.032 54.840 -0.247 0.000 0.833 541 L CB 1.510 42.968 42.059 -1.002 0.000 1.296 541 L HN -0.122 nan 8.230 nan 0.000 0.405 542 W N 4.181 125.464 121.300 -0.029 0.000 2.819 542 W HA 0.768 5.403 4.660 -0.041 0.000 0.337 542 W C -1.156 175.457 176.519 0.158 0.000 1.077 542 W CA -0.847 56.518 57.345 0.033 0.000 1.226 542 W CB 1.955 31.411 29.460 -0.006 0.000 1.419 542 W HN 0.123 nan 8.180 nan 0.000 0.502 543 V N 2.589 122.710 119.914 0.346 0.000 2.531 543 V HA 0.707 4.802 4.120 -0.041 0.000 0.301 543 V C -0.109 176.171 176.094 0.311 0.000 1.034 543 V CA -0.812 61.677 62.300 0.316 0.000 0.865 543 V CB 1.433 33.361 31.823 0.175 0.000 0.995 543 V HN 0.596 nan 8.190 nan 0.000 0.424 544 T N 1.554 116.340 114.554 0.386 0.000 2.916 544 T HA 0.754 5.079 4.350 -0.041 0.000 0.292 544 T C -0.473 174.360 174.700 0.222 0.000 1.064 544 T CA -0.968 61.310 62.100 0.297 0.000 1.011 544 T CB 2.135 71.219 68.868 0.359 0.000 1.152 544 T HN 0.509 nan 8.240 nan 0.000 0.510 545 R N 0.884 121.468 120.500 0.141 0.000 2.340 545 R HA 0.329 4.645 4.340 -0.041 0.000 0.300 545 R C -0.833 175.513 176.300 0.077 0.000 1.069 545 R CA -0.878 55.285 56.100 0.106 0.000 0.984 545 R CB -0.530 29.808 30.300 0.064 0.000 1.003 545 R HN 0.777 nan 8.270 nan 0.000 0.459 546 Y N 3.149 123.446 120.300 -0.005 0.000 2.712 546 Y HA 0.295 4.820 4.550 -0.041 0.000 0.333 546 Y C -0.719 175.126 175.900 -0.091 0.000 1.225 546 Y CA 0.942 59.008 58.100 -0.057 0.000 1.499 546 Y CB 0.463 38.858 38.460 -0.108 0.000 1.288 546 Y HN 0.750 nan 8.280 nan 0.000 0.575 547 A N 5.176 127.258 122.820 -1.230 0.000 2.517 547 A HA 0.301 4.596 4.320 -0.041 0.000 0.297 547 A C 0.113 177.052 177.584 -1.074 0.000 1.050 547 A CA -0.622 50.864 52.037 -0.917 0.000 0.694 547 A CB 0.912 19.619 19.000 -0.488 0.000 1.277 547 A HN 0.756 nan 8.150 nan 0.000 0.400 548 D N 1.037 121.046 120.400 -0.653 0.000 2.158 548 D HA -0.166 4.449 4.640 -0.041 0.000 0.197 548 D C 1.060 177.188 176.300 -0.287 0.000 0.995 548 D CA 2.231 56.030 54.000 -0.334 0.000 0.846 548 D CB 0.090 40.817 40.800 -0.121 0.000 0.941 548 D HN 0.759 nan 8.370 nan 0.000 0.456 549 D N 0.063 120.291 120.400 -0.286 0.000 2.339 549 D HA -0.057 4.558 4.640 -0.041 0.000 0.217 549 D C -0.033 176.083 176.300 -0.306 0.000 1.050 549 D CA 0.070 53.934 54.000 -0.227 0.000 0.856 549 D CB -0.518 40.194 40.800 -0.146 0.000 0.922 549 D HN 0.159 nan 8.370 nan 0.000 0.518 550 E N 0.710 120.630 120.200 -0.465 0.000 2.026 550 E HA 0.274 4.599 4.350 -0.041 0.000 0.253 550 E C 0.614 177.039 176.600 -0.290 0.000 1.056 550 E CA -0.256 55.756 56.400 -0.646 0.000 0.927 550 E CB 0.824 29.885 29.700 -1.064 0.000 1.172 550 E HN 0.164 nan 8.360 nan 0.000 0.445 551 R N 1.205 121.523 120.500 -0.303 0.000 2.123 551 R HA 0.101 4.416 4.340 -0.041 0.000 0.209 551 R C -0.018 175.958 176.300 -0.541 0.000 1.078 551 R CA 0.656 56.407 56.100 -0.581 0.000 1.028 551 R CB 0.338 29.968 30.300 -1.117 0.000 0.939 551 R HN 0.267 nan 8.270 nan 0.000 0.463 552 Y N 0.430 120.852 120.300 0.203 0.000 2.485 552 Y HA 0.302 4.828 4.550 -0.041 0.000 0.345 552 Y C -1.756 174.154 175.900 0.017 0.000 0.998 552 Y CA -3.249 54.932 58.100 0.135 0.000 1.059 552 Y CB 1.074 39.491 38.460 -0.071 0.000 1.234 552 Y HN -0.156 nan 8.280 nan 0.000 0.461 553 P HA -0.082 nan 4.420 nan 0.000 0.230 553 P C 0.558 177.579 177.300 -0.466 0.000 1.158 553 P CA 1.352 64.130 63.100 -0.537 0.000 0.769 553 P CB 0.145 31.464 31.700 -0.635 0.000 0.807 554 T N -4.819 109.567 114.554 -0.280 0.000 3.084 554 T HA 0.517 4.843 4.350 -0.041 0.000 0.270 554 T C 0.850 175.389 174.700 -0.270 0.000 1.008 554 T CA 0.072 62.025 62.100 -0.244 0.000 0.900 554 T CB 0.030 68.775 68.868 -0.205 0.000 1.084 554 T HN 0.325 nan 8.240 nan 0.000 0.538 555 G N 1.467 110.153 108.800 -0.191 0.000 2.757 555 G HA2 -0.162 3.773 3.960 -0.041 0.000 0.638 555 G HA3 -0.162 3.773 3.960 -0.041 0.000 0.638 555 G C -0.203 174.639 174.900 -0.097 0.000 1.344 555 G CA -0.111 44.899 45.100 -0.149 0.000 0.855 555 G HN 0.170 nan 8.290 nan 0.000 0.537 556 D N -0.599 119.694 120.400 -0.178 0.000 2.194 556 D HA 0.066 4.681 4.640 -0.041 0.000 0.204 556 D C 0.890 176.673 176.300 -0.862 0.000 0.964 556 D CA 1.411 55.143 54.000 -0.447 0.000 0.846 556 D CB 0.043 40.469 40.800 -0.623 0.000 0.962 556 D HN 0.216 nan 8.370 nan 0.000 0.490 557 F N 0.597 120.400 119.950 -0.245 0.000 2.453 557 F HA 0.196 4.698 4.527 -0.042 0.000 0.358 557 F C 1.209 176.855 175.800 -0.257 0.000 1.129 557 F CA -0.558 57.282 58.000 -0.267 0.000 1.200 557 F CB 1.077 39.909 39.000 -0.279 0.000 1.431 557 F HN -0.345 nan 8.300 nan 0.000 0.503 558 V N -0.020 119.773 119.914 -0.201 0.000 2.358 558 V HA -0.245 3.850 4.120 -0.041 0.000 0.246 558 V C 1.373 177.335 176.094 -0.219 0.000 1.047 558 V CA 1.027 63.136 62.300 -0.319 0.000 1.035 558 V CB -0.521 30.983 31.823 -0.531 0.000 0.658 558 V HN 0.660 nan 8.190 nan 0.000 0.452 559 N N 1.272 119.898 118.700 -0.124 0.000 2.315 559 N HA -0.106 4.609 4.740 -0.041 0.000 0.270 559 N C 0.536 176.033 175.510 -0.022 0.000 1.329 559 N CA 0.787 53.801 53.050 -0.060 0.000 0.860 559 N CB -0.300 38.162 38.487 -0.041 0.000 1.095 559 N HN 0.500 nan 8.380 nan 0.000 0.487 560 Q N -0.141 119.651 119.800 -0.012 0.000 2.481 560 Q HA -0.312 4.003 4.340 -0.041 0.000 0.272 560 Q C -0.624 175.358 176.000 -0.030 0.000 1.157 560 Q CA 0.824 56.617 55.803 -0.015 0.000 0.935 560 Q CB -1.599 27.129 28.738 -0.016 0.000 1.338 560 Q HN 0.707 nan 8.270 nan 0.000 0.494 561 H N -0.111 118.891 119.070 -0.114 0.000 2.487 561 H HA 0.199 4.730 4.556 -0.042 0.000 0.333 561 H C 1.263 176.518 175.328 -0.122 0.000 1.114 561 H CA 0.679 56.659 56.048 -0.112 0.000 1.310 561 H CB 1.148 30.837 29.762 -0.121 0.000 1.462 561 H HN 0.268 nan 8.280 nan 0.000 0.516 562 S N 2.677 117.934 115.700 -0.738 0.000 2.419 562 S HA 0.072 4.517 4.470 -0.041 0.000 0.233 562 S C 1.034 175.481 174.600 -0.254 0.000 1.016 562 S CA 0.525 58.458 58.200 -0.445 0.000 0.974 562 S CB -0.036 62.913 63.200 -0.418 0.000 0.786 562 S HN 1.055 nan 8.310 nan 0.000 0.492 563 G N -1.282 107.462 108.800 -0.094 0.000 2.406 563 G HA2 0.480 4.415 3.960 -0.041 0.000 0.680 563 G HA3 0.480 4.415 3.960 -0.041 0.000 0.680 563 G C 0.430 175.381 174.900 0.085 0.000 1.338 563 G CA -0.037 45.093 45.100 0.050 0.000 0.941 563 G HN 1.502 nan 8.290 nan 0.000 0.633 564 G N -1.259 107.549 108.800 0.013 0.000 2.234 564 G HA2 0.210 4.146 3.960 -0.041 0.000 0.260 564 G HA3 0.210 4.146 3.960 -0.041 0.000 0.260 564 G C 1.267 176.099 174.900 -0.114 0.000 0.987 564 G CA 1.437 46.515 45.100 -0.036 0.000 0.625 564 G HN 2.571 nan 8.290 nan 0.000 0.532 565 A N -0.091 122.652 122.820 -0.129 0.000 2.386 565 A HA 0.782 5.077 4.320 -0.041 0.000 0.246 565 A C 1.976 179.290 177.584 -0.450 0.000 1.089 565 A CA 1.966 53.822 52.037 -0.302 0.000 0.790 565 A CB -0.047 18.661 19.000 -0.486 0.000 1.042 565 A HN 2.531 nan 8.150 nan 0.000 0.497 566 G N -1.023 107.375 108.800 -0.670 0.000 2.512 566 G HA2 -0.228 3.707 3.960 -0.041 0.000 0.254 566 G HA3 -0.228 3.707 3.960 -0.041 0.000 0.254 566 G C 0.866 174.751 174.900 -1.691 0.000 1.199 566 G CA 0.246 44.648 45.100 -1.164 0.000 0.941 566 G HN 1.186 nan 8.290 nan 0.000 0.569 567 L N 1.597 122.016 121.223 -1.341 0.000 2.010 567 L HA -0.164 4.151 4.340 -0.041 0.000 0.219 567 L C 0.395 176.881 176.870 -0.639 0.000 1.077 567 L CA 2.973 57.141 54.840 -1.120 0.000 0.773 567 L CB -1.482 39.691 42.059 -1.478 0.000 0.892 567 L HN 0.431 nan 8.230 nan 0.000 0.436 568 P HA -0.131 nan 4.420 nan 0.000 0.215 568 P C 1.730 178.943 177.300 -0.144 0.000 1.153 568 P CA 1.492 64.504 63.100 -0.147 0.000 0.853 568 P CB 0.083 31.718 31.700 -0.108 0.000 0.788 569 S N -1.967 113.569 115.700 -0.274 0.000 2.387 569 S HA -0.137 4.308 4.470 -0.041 0.000 0.226 569 S C 1.718 176.308 174.600 -0.018 0.000 1.026 569 S CA 1.051 59.159 58.200 -0.154 0.000 0.972 569 S CB -1.014 62.077 63.200 -0.183 0.000 0.814 569 S HN 0.110 nan 8.310 nan 0.000 0.477 570 Y N 1.621 121.838 120.300 -0.138 0.000 2.114 570 Y HA 0.026 4.551 4.550 -0.041 0.000 0.284 570 Y C 2.304 178.171 175.900 -0.056 0.000 1.143 570 Y CA -0.405 57.623 58.100 -0.121 0.000 1.135 570 Y CB -1.097 37.241 38.460 -0.204 0.000 0.980 570 Y HN 0.177 nan 8.280 nan 0.000 0.499 571 I N 0.184 120.826 120.570 0.120 0.000 2.423 571 I HA -0.254 3.891 4.170 -0.041 0.000 0.254 571 I C 2.422 178.591 176.117 0.086 0.000 1.151 571 I CA 1.385 62.760 61.300 0.124 0.000 1.421 571 I CB -1.610 36.502 38.000 0.187 0.000 1.079 571 I HN 0.153 nan 8.210 nan 0.000 0.431 572 A N 0.127 122.984 122.820 0.063 0.000 2.125 572 A HA -0.215 4.080 4.320 -0.041 0.000 0.219 572 A C 2.143 179.753 177.584 0.043 0.000 1.156 572 A CA 1.127 53.191 52.037 0.044 0.000 0.671 572 A CB -0.552 18.464 19.000 0.026 0.000 0.794 572 A HN 0.534 nan 8.150 nan 0.000 0.459 573 Q N -1.284 118.548 119.800 0.053 0.000 2.369 573 Q HA -0.076 4.239 4.340 -0.041 0.000 0.206 573 Q C 0.060 176.083 176.000 0.039 0.000 0.963 573 Q CA 0.434 56.262 55.803 0.041 0.000 0.894 573 Q CB -0.016 28.745 28.738 0.039 0.000 0.965 573 Q HN 0.599 nan 8.270 nan 0.000 0.475 574 D N 0.940 121.369 120.400 0.048 0.000 2.697 574 D HA -0.178 4.438 4.640 -0.041 0.000 0.235 574 D C -0.922 175.404 176.300 0.043 0.000 1.167 574 D CA 0.633 54.660 54.000 0.046 0.000 0.656 574 D CB -0.543 40.278 40.800 0.035 0.000 1.025 574 D HN 0.213 nan 8.370 nan 0.000 0.419 575 R N 0.363 120.892 120.500 0.048 0.000 2.577 575 R HA 0.371 4.686 4.340 -0.041 0.000 0.269 575 R C 0.195 176.525 176.300 0.051 0.000 1.084 575 R CA -0.646 55.480 56.100 0.044 0.000 1.163 575 R CB 0.439 30.764 30.300 0.040 0.000 1.100 575 R HN 0.172 nan 8.270 nan 0.000 0.547 576 D N 1.583 122.011 120.400 0.046 0.000 2.383 576 D HA 0.051 4.666 4.640 -0.041 0.000 0.252 576 D C 0.449 176.786 176.300 0.061 0.000 1.166 576 D CA -0.071 53.959 54.000 0.050 0.000 0.879 576 D CB 0.562 41.387 40.800 0.042 0.000 1.164 576 D HN 0.547 nan 8.370 nan 0.000 0.462 577 I N -0.178 120.433 120.570 0.069 0.000 4.102 577 I HA 0.346 4.491 4.170 -0.041 0.000 0.325 577 I C 0.074 176.239 176.117 0.079 0.000 1.471 577 I CA -0.518 60.831 61.300 0.082 0.000 1.133 577 I CB 0.478 38.537 38.000 0.098 0.000 1.184 577 I HN 0.095 nan 8.210 nan 0.000 0.451 578 D N 2.948 123.388 120.400 0.067 0.000 2.468 578 D HA 0.374 4.989 4.640 -0.041 0.000 0.218 578 D C 1.074 177.410 176.300 0.059 0.000 1.155 578 D CA 0.511 54.548 54.000 0.062 0.000 0.924 578 D CB 0.361 41.193 40.800 0.052 0.000 1.029 578 D HN 0.553 nan 8.370 nan 0.000 0.515 579 G N 3.216 112.055 108.800 0.066 0.000 2.370 579 G HA2 -0.174 3.761 3.960 -0.041 0.000 0.268 579 G HA3 -0.174 3.761 3.960 -0.041 0.000 0.268 579 G C -0.131 174.810 174.900 0.070 0.000 1.122 579 G CA -0.303 44.835 45.100 0.064 0.000 0.963 579 G HN 0.484 nan 8.290 nan 0.000 0.500 580 Q N -0.773 119.076 119.800 0.083 0.000 2.687 580 Q HA 0.385 4.700 4.340 -0.041 0.000 0.305 580 Q C -1.035 175.032 176.000 0.111 0.000 1.006 580 Q CA -0.933 54.922 55.803 0.086 0.000 0.763 580 Q CB 0.972 29.755 28.738 0.076 0.000 1.506 580 Q HN 0.232 nan 8.270 nan 0.000 0.459 581 D N 1.936 122.396 120.400 0.101 0.000 2.344 581 D HA 0.289 4.905 4.640 -0.041 0.000 0.253 581 D C -0.365 176.017 176.300 0.137 0.000 1.255 581 D CA 0.067 54.127 54.000 0.101 0.000 0.894 581 D CB -0.299 40.467 40.800 -0.057 0.000 1.067 581 D HN 0.426 nan 8.370 nan 0.000 0.492 582 I N 0.013 120.674 120.570 0.151 0.000 3.023 582 I HA 0.679 4.824 4.170 -0.041 0.000 0.312 582 I C -0.904 175.293 176.117 0.134 0.000 1.056 582 I CA -1.093 60.299 61.300 0.152 0.000 1.033 582 I CB 2.173 40.254 38.000 0.135 0.000 1.233 582 I HN -0.094 nan 8.210 nan 0.000 0.462 583 V N 3.485 123.479 119.914 0.133 0.000 2.638 583 V HA 0.413 4.508 4.120 -0.041 0.000 0.306 583 V C -0.175 175.923 176.094 0.006 0.000 1.052 583 V CA -0.659 61.641 62.300 -0.001 0.000 0.885 583 V CB 1.847 33.625 31.823 -0.075 0.000 0.999 583 V HN 0.562 nan 8.190 nan 0.000 0.424 584 V N 3.724 123.569 119.914 -0.114 0.000 2.427 584 V HA 0.465 4.560 4.120 -0.041 0.000 0.286 584 V C -1.107 174.913 176.094 -0.122 0.000 1.034 584 V CA -0.466 61.832 62.300 -0.003 0.000 0.893 584 V CB 1.616 33.431 31.823 -0.014 0.000 0.982 584 V HN 0.918 nan 8.190 nan 0.000 0.452 585 W N 4.007 125.348 121.300 0.069 0.000 2.336 585 W HA 0.502 5.137 4.660 -0.042 0.000 0.315 585 W C -0.170 176.441 176.519 0.154 0.000 1.016 585 W CA -0.652 56.737 57.345 0.073 0.000 1.318 585 W CB 0.486 29.962 29.460 0.027 0.000 1.247 585 W HN 0.599 nan 8.180 nan 0.000 0.414 586 H N 1.676 120.823 119.070 0.129 0.000 2.519 586 H HA 0.515 5.046 4.556 -0.041 0.000 0.316 586 H C -0.323 175.187 175.328 0.304 0.000 1.065 586 H CA -0.190 55.901 56.048 0.072 0.000 1.264 586 H CB 1.003 30.600 29.762 -0.276 0.000 1.413 586 H HN 0.170 nan 8.280 nan 0.000 0.465 587 T N 7.295 121.843 114.554 -0.009 0.000 2.806 587 T HA 0.431 4.756 4.350 -0.041 0.000 0.290 587 T C -1.024 173.585 174.700 -0.152 0.000 0.966 587 T CA -0.257 61.870 62.100 0.045 0.000 1.060 587 T CB -0.268 68.732 68.868 0.220 0.000 0.927 587 T HN 0.499 nan 8.240 nan 0.000 0.485 588 F N -0.087 119.758 119.950 -0.175 0.000 2.628 588 F HA 0.847 5.349 4.527 -0.041 0.000 0.309 588 F C -0.265 175.628 175.800 0.155 0.000 1.108 588 F CA -1.152 56.804 58.000 -0.072 0.000 0.971 588 F CB 1.054 39.984 39.000 -0.117 0.000 1.279 588 F HN 0.804 nan 8.300 nan 0.000 0.441 589 G N 1.638 110.548 108.800 0.183 0.000 2.550 589 G HA2 0.599 4.535 3.960 -0.041 0.000 0.293 589 G HA3 0.599 4.535 3.960 -0.041 0.000 0.293 589 G C -2.484 172.518 174.900 0.169 0.000 1.402 589 G CA -1.135 44.070 45.100 0.174 0.000 0.784 589 G HN 0.828 nan 8.290 nan 0.000 0.482 590 L N 0.335 121.655 121.223 0.161 0.000 2.334 590 L HA 0.609 4.924 4.340 -0.041 0.000 0.276 590 L C -0.110 176.752 176.870 -0.014 0.000 1.014 590 L CA -0.719 54.179 54.840 0.098 0.000 0.815 590 L CB 2.406 44.542 42.059 0.129 0.000 1.268 590 L HN 0.425 nan 8.230 nan 0.000 0.428 591 T N 0.630 115.125 114.554 -0.098 0.000 2.756 591 T HA 0.241 4.567 4.350 -0.041 0.000 0.290 591 T C -0.698 173.768 174.700 -0.389 0.000 0.985 591 T CA -0.251 61.672 62.100 -0.294 0.000 0.955 591 T CB 0.179 68.884 68.868 -0.271 0.000 0.930 591 T HN 0.430 nan 8.240 nan 0.000 0.451 592 H N 3.143 121.791 119.070 -0.703 0.000 2.581 592 H HA 0.394 4.926 4.556 -0.040 0.000 0.308 592 H C -1.134 173.734 175.328 -0.767 0.000 1.040 592 H CA -1.075 54.592 56.048 -0.635 0.000 1.231 592 H CB 0.322 29.741 29.762 -0.572 0.000 1.396 592 H HN 0.435 nan 8.280 nan 0.000 0.467 593 F N 6.645 126.552 119.950 -0.071 0.000 2.307 593 F HA 0.279 4.780 4.527 -0.042 0.000 0.369 593 F C -2.049 173.759 175.800 0.013 0.000 1.076 593 F CA -2.624 55.194 58.000 -0.302 0.000 1.149 593 F CB 0.728 39.424 39.000 -0.507 0.000 1.410 593 F HN 0.517 nan 8.300 nan 0.000 0.481 594 P HA 0.027 nan 4.420 nan 0.000 0.264 594 P C -0.325 177.104 177.300 0.214 0.000 1.179 594 P CA 0.290 63.436 63.100 0.077 0.000 0.763 594 P CB 0.600 32.288 31.700 -0.019 0.000 0.806 595 R N 1.619 122.262 120.500 0.238 0.000 2.758 595 R HA 0.347 4.662 4.340 -0.041 0.000 0.265 595 R C 1.182 177.577 176.300 0.159 0.000 1.016 595 R CA -1.015 55.187 56.100 0.171 0.000 1.040 595 R CB 0.535 30.927 30.300 0.153 0.000 1.152 595 R HN 0.102 nan 8.270 nan 0.000 0.503 596 V N 1.365 121.347 119.914 0.114 0.000 2.392 596 V HA -0.234 3.861 4.120 -0.041 0.000 0.249 596 V C 1.424 177.618 176.094 0.168 0.000 1.059 596 V CA 1.884 64.258 62.300 0.122 0.000 1.051 596 V CB -0.532 31.335 31.823 0.073 0.000 0.658 596 V HN 0.708 nan 8.190 nan 0.000 0.455 597 E N 0.006 120.285 120.200 0.132 0.000 2.401 597 E HA -0.157 4.168 4.350 -0.041 0.000 0.199 597 E C 1.621 178.299 176.600 0.131 0.000 1.023 597 E CA 0.836 57.304 56.400 0.113 0.000 0.859 597 E CB -0.238 29.510 29.700 0.080 0.000 0.780 597 E HN 0.592 nan 8.360 nan 0.000 0.523 598 D N -0.977 119.538 120.400 0.193 0.000 2.347 598 D HA -0.068 4.547 4.640 -0.041 0.000 0.213 598 D C -0.169 176.282 176.300 0.251 0.000 0.985 598 D CA 0.283 54.413 54.000 0.216 0.000 0.879 598 D CB 0.108 41.094 40.800 0.310 0.000 0.919 598 D HN 0.221 nan 8.370 nan 0.000 0.526 599 W N 2.411 123.745 121.300 0.057 0.000 2.551 599 W HA 0.210 4.844 4.660 -0.044 0.000 0.330 599 W C -1.885 174.665 176.519 0.053 0.000 1.063 599 W CA -1.951 55.426 57.345 0.054 0.000 1.222 599 W CB 2.014 31.504 29.460 0.050 0.000 1.349 599 W HN -0.189 nan 8.180 nan 0.000 0.536 600 P HA 0.079 nan 4.420 nan 0.000 0.240 600 P C 0.084 176.935 177.300 -0.749 0.000 1.190 600 P CA 0.729 62.874 63.100 -1.591 0.000 0.781 600 P CB 1.318 32.308 31.700 -1.183 0.000 0.931 601 I N 1.642 121.962 120.570 -0.417 0.000 2.534 601 I HA 0.264 4.409 4.170 -0.041 0.000 0.288 601 I C -0.480 175.508 176.117 -0.215 0.000 1.077 601 I CA -1.857 59.194 61.300 -0.415 0.000 1.051 601 I CB 2.142 39.641 38.000 -0.836 0.000 1.234 601 I HN -0.148 nan 8.210 nan 0.000 0.425 602 M N 8.912 128.439 119.600 -0.121 0.000 2.211 602 M HA 0.600 5.056 4.480 -0.041 0.000 0.356 602 M C -2.583 173.685 176.300 -0.053 0.000 1.216 602 M CA -1.177 54.107 55.300 -0.027 0.000 1.134 602 M CB 0.627 33.269 32.600 0.070 0.000 1.564 602 M HN 0.222 nan 8.290 nan 0.000 0.463 603 P HA 0.159 nan 4.420 nan 0.000 0.275 603 P C -0.638 176.645 177.300 -0.029 0.000 1.228 603 P CA -0.489 62.591 63.100 -0.033 0.000 0.786 603 P CB 0.757 32.447 31.700 -0.016 0.000 0.927 604 V N 3.150 123.049 119.914 -0.024 0.000 2.694 604 V HA -0.012 4.084 4.120 -0.041 0.000 0.306 604 V C 0.613 176.683 176.094 -0.040 0.000 1.054 604 V CA 1.050 63.340 62.300 -0.018 0.000 1.161 604 V CB 0.147 31.974 31.823 0.007 0.000 0.916 604 V HN 0.597 nan 8.190 nan 0.000 0.490 605 D N 2.131 122.495 120.400 -0.060 0.000 2.419 605 D HA 0.703 5.318 4.640 -0.041 0.000 0.234 605 D C -0.306 175.954 176.300 -0.067 0.000 1.014 605 D CA -0.189 53.769 54.000 -0.070 0.000 0.919 605 D CB 2.316 43.048 40.800 -0.113 0.000 1.366 605 D HN 0.733 nan 8.370 nan 0.000 0.490 606 T N -1.477 113.047 114.554 -0.050 0.000 2.906 606 T HA 0.750 5.075 4.350 -0.041 0.000 0.295 606 T C -0.972 173.736 174.700 0.013 0.000 1.075 606 T CA -0.813 61.251 62.100 -0.061 0.000 1.005 606 T CB 1.512 70.332 68.868 -0.080 0.000 1.136 606 T HN 0.244 nan 8.240 nan 0.000 0.498 607 V N -0.049 119.856 119.914 -0.014 0.000 3.147 607 V HA 0.887 4.983 4.120 -0.041 0.000 0.299 607 V C -0.198 175.847 176.094 -0.082 0.000 1.302 607 V CA 0.570 62.935 62.300 0.109 0.000 1.015 607 V CB 1.698 33.628 31.823 0.179 0.000 1.086 607 V HN 1.688 nan 8.190 nan 0.000 0.437 608 G N 3.060 111.619 108.800 -0.402 0.000 2.393 608 G HA2 0.707 4.643 3.960 -0.041 0.000 0.264 608 G HA3 0.707 4.643 3.960 -0.041 0.000 0.264 608 G C -1.448 172.854 174.900 -0.997 0.000 1.221 608 G CA 0.216 44.902 45.100 -0.690 0.000 0.912 608 G HN 1.940 nan 8.290 nan 0.000 0.483 609 F N -0.965 118.604 119.950 -0.636 0.000 2.807 609 F HA 0.844 5.346 4.527 -0.042 0.000 0.316 609 F C -1.090 174.677 175.800 -0.054 0.000 1.162 609 F CA -0.998 56.816 58.000 -0.309 0.000 0.910 609 F CB 1.408 40.232 39.000 -0.294 0.000 1.314 609 F HN 0.832 nan 8.300 nan 0.000 0.454 610 K N 1.004 121.549 120.400 0.241 0.000 2.533 610 K HA 0.854 5.149 4.320 -0.041 0.000 0.272 610 K C -2.428 174.406 176.600 0.391 0.000 0.985 610 K CA -1.066 55.349 56.287 0.214 0.000 0.876 610 K CB 2.717 35.300 32.500 0.139 0.000 1.452 610 K HN 0.753 nan 8.250 nan 0.000 0.439 611 L N 1.393 122.846 121.223 0.382 0.000 2.409 611 L HA 0.554 4.869 4.340 -0.041 0.000 0.272 611 L C -0.686 176.448 176.870 0.441 0.000 0.980 611 L CA -0.546 54.556 54.840 0.437 0.000 0.826 611 L CB 2.122 44.458 42.059 0.463 0.000 1.268 611 L HN 0.574 nan 8.230 nan 0.000 0.407 612 R N 3.300 123.974 120.500 0.291 0.000 2.711 612 R HA 0.556 4.871 4.340 -0.041 0.000 0.284 612 R C -2.565 173.466 176.300 -0.449 0.000 0.968 612 R CA -1.916 54.213 56.100 0.048 0.000 0.924 612 R CB 1.625 31.982 30.300 0.095 0.000 1.162 612 R HN 0.297 nan 8.270 nan 0.000 0.465 613 P HA -0.041 nan 4.420 nan 0.000 0.265 613 P C -0.779 176.303 177.300 -0.364 0.000 1.193 613 P CA 0.187 62.647 63.100 -1.068 0.000 0.765 613 P CB 0.818 32.248 31.700 -0.450 0.000 0.823 614 E N 2.206 122.258 120.200 -0.246 0.000 2.675 614 E HA 0.438 4.764 4.350 -0.041 0.000 0.236 614 E C 0.684 177.284 176.600 0.001 0.000 1.059 614 E CA -0.411 55.951 56.400 -0.063 0.000 0.775 614 E CB -0.598 29.081 29.700 -0.034 0.000 1.356 614 E HN 0.674 nan 8.360 nan 0.000 0.403 615 G N 3.295 112.109 108.800 0.022 0.000 2.160 615 G HA2 -0.356 3.579 3.960 -0.041 0.000 0.251 615 G HA3 -0.356 3.579 3.960 -0.041 0.000 0.251 615 G C 0.455 175.366 174.900 0.019 0.000 1.008 615 G CA 0.412 45.528 45.100 0.027 0.000 0.724 615 G HN 0.538 nan 8.290 nan 0.000 0.514 616 F N 0.041 119.883 119.950 -0.181 0.000 2.219 616 F HA 0.495 4.998 4.527 -0.041 0.000 0.294 616 F C 1.266 176.801 175.800 -0.443 0.000 1.086 616 F CA 0.397 58.192 58.000 -0.341 0.000 1.330 616 F CB 0.080 38.768 39.000 -0.520 0.000 1.047 616 F HN 0.114 nan 8.300 nan 0.000 0.495 617 F N 0.382 120.350 119.950 0.029 0.000 2.408 617 F HA 0.236 4.739 4.527 -0.041 0.000 0.325 617 F C 1.341 177.105 175.800 -0.060 0.000 1.082 617 F CA -0.821 57.147 58.000 -0.054 0.000 1.032 617 F CB 0.404 39.393 39.000 -0.019 0.000 1.259 617 F HN -0.278 nan 8.300 nan 0.000 0.503 618 D N 0.190 120.679 120.400 0.148 0.000 2.349 618 D HA 0.062 4.678 4.640 -0.041 0.000 0.215 618 D C 0.316 176.651 176.300 0.059 0.000 1.016 618 D CA 0.607 54.644 54.000 0.061 0.000 0.870 618 D CB 0.241 41.059 40.800 0.031 0.000 0.917 618 D HN 0.528 nan 8.370 nan 0.000 0.524 619 R N -2.226 118.325 120.500 0.084 0.000 2.979 619 R HA 0.186 4.501 4.340 -0.041 0.000 0.286 619 R C -0.786 175.520 176.300 0.009 0.000 0.972 619 R CA -0.745 55.376 56.100 0.035 0.000 0.828 619 R CB 0.314 30.620 30.300 0.010 0.000 1.368 619 R HN -0.174 nan 8.270 nan 0.000 0.511 620 S N 0.992 116.675 115.700 -0.028 0.000 2.593 620 S HA 0.089 4.534 4.470 -0.041 0.000 0.300 620 S C -1.290 173.219 174.600 -0.151 0.000 1.267 620 S CA -0.640 57.514 58.200 -0.077 0.000 1.065 620 S CB 0.460 63.632 63.200 -0.046 0.000 0.807 620 S HN 0.518 nan 8.310 nan 0.000 0.499 621 P HA 0.127 nan 4.420 nan 0.000 0.261 621 P C 0.434 177.630 177.300 -0.174 0.000 1.268 621 P CA 0.171 63.018 63.100 -0.420 0.000 0.833 621 P CB -0.130 30.859 31.700 -1.184 0.000 1.231 622 V N -3.667 116.191 119.914 -0.093 0.000 2.940 622 V HA 0.269 4.364 4.120 -0.041 0.000 0.366 622 V C 1.388 177.504 176.094 0.037 0.000 1.353 622 V CA -0.125 62.171 62.300 -0.007 0.000 1.232 622 V CB -0.743 31.101 31.823 0.035 0.000 1.278 622 V HN -0.138 nan 8.190 nan 0.000 0.546 623 L N 0.946 122.181 121.223 0.021 0.000 2.395 623 L HA 0.080 4.396 4.340 -0.041 0.000 0.218 623 L C 2.059 178.969 176.870 0.066 0.000 1.130 623 L CA 1.210 56.085 54.840 0.059 0.000 0.826 623 L CB -0.186 41.885 42.059 0.020 0.000 0.941 623 L HN 0.554 nan 8.230 nan 0.000 0.451 624 D N -0.458 119.960 120.400 0.031 0.000 2.328 624 D HA -0.002 4.613 4.640 -0.041 0.000 0.221 624 D C 0.587 176.894 176.300 0.013 0.000 1.072 624 D CA 0.045 54.057 54.000 0.019 0.000 0.850 624 D CB -0.116 40.682 40.800 -0.002 0.000 0.922 624 D HN 0.016 nan 8.370 nan 0.000 0.516 625 V N 3.149 123.079 119.914 0.025 0.000 2.555 625 V HA 0.199 4.294 4.120 -0.041 0.000 0.286 625 V C -1.537 174.560 176.094 0.005 0.000 1.044 625 V CA -1.114 61.192 62.300 0.010 0.000 1.026 625 V CB 1.076 32.913 31.823 0.023 0.000 0.981 625 V HN 0.158 nan 8.190 nan 0.000 0.480 626 P HA 0.259 nan 4.420 nan 0.000 0.277 626 P C 0.346 177.618 177.300 -0.047 0.000 1.271 626 P CA -0.323 62.766 63.100 -0.019 0.000 0.795 626 P CB 1.335 33.027 31.700 -0.013 0.000 1.101 627 A N 0.429 123.215 122.820 -0.057 0.000 1.898 627 A HA -0.033 4.263 4.320 -0.041 0.000 0.214 627 A C 0.732 178.285 177.584 -0.051 0.000 1.183 627 A CA 0.950 52.937 52.037 -0.084 0.000 0.622 627 A CB -1.013 17.940 19.000 -0.078 0.000 0.824 627 A HN 0.724 nan 8.150 nan 0.000 0.444 628 N N 0.000 118.683 118.700 -0.029 0.000 1.763 628 N HA 0.000 4.715 4.740 -0.041 0.000 0.220 628 N CA 0.000 53.042 53.050 -0.014 0.000 0.885 628 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667