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 1a12_1_A DATA FIRST_RESID 21 DATA SEQUENCE KKVKVSHRSH STEPGLVLTL GQGDVGQLGL GENVMERKKP ALVSIPEDVV DATA SEQUENCE QAEAGGMHTV CLSKSGQVYS FGCNDEGALG RDTSVEGSEM VPGKVELQEK DATA SEQUENCE VVQVSAGDSH TAALTDDGRV FLWGSFRDNN GVIGLLEPMK KSMVPVQVQL DATA SEQUENCE DVPVVKVASG NDHLVMLTAD GDLYTLGCGE QGQLGRVPEL FANRGGRQGL DATA SEQUENCE ERLLVPKCVM LKSRGSRGHV RFQDAFCGAY FTFAISHEGH VYGFGLSNYH DATA SEQUENCE QLGTPGTESC FIPQNLTSFK NSTKSWVGFS GGQHHTVCMD SEGKAYSLGR DATA SEQUENCE AEYGRLGLGE GAEEKSIPTL ISRLPAVSSV ACGASVGYAV TKDGRVFAWG DATA SEQUENCE MGTNYQLGTG QDEDAWSPVE MMGKQLENRV VLSVSSGGQH TVLLVKDKEQ DATA SEQUENCE S 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 21 K HA 0.000 nan 4.320 nan 0.000 0.191 21 K C 0.000 176.612 176.600 0.020 0.000 0.988 21 K CA 0.000 56.297 56.287 0.017 0.000 0.838 21 K CB 0.000 32.510 32.500 0.016 0.000 1.064 22 K N 1.899 122.312 120.400 0.022 0.000 2.062 22 K HA 0.135 4.461 4.320 0.010 0.000 0.251 22 K C -0.615 176.003 176.600 0.030 0.000 1.113 22 K CA -0.103 56.200 56.287 0.028 0.000 1.096 22 K CB -0.335 32.184 32.500 0.031 0.000 1.099 22 K HN 0.542 nan 8.250 nan 0.000 0.350 23 V N 4.418 124.349 119.914 0.029 0.000 2.529 23 V HA -0.022 4.104 4.120 0.010 0.000 0.292 23 V C 0.773 176.891 176.094 0.040 0.000 1.028 23 V CA -0.080 62.239 62.300 0.031 0.000 1.074 23 V CB 0.355 32.195 31.823 0.028 0.000 0.958 23 V HN 0.541 nan 8.190 nan 0.000 0.481 24 K N 3.614 124.039 120.400 0.043 0.000 2.237 24 K HA 0.588 4.914 4.320 0.010 0.000 0.270 24 K C -0.316 176.322 176.600 0.062 0.000 1.015 24 K CA -0.397 55.923 56.287 0.056 0.000 0.949 24 K CB 1.586 34.119 32.500 0.056 0.000 0.976 24 K HN 0.641 nan 8.250 nan 0.000 0.472 25 V N -2.044 117.920 119.914 0.083 0.000 3.001 25 V HA 0.704 4.830 4.120 0.010 0.000 0.314 25 V C -0.365 175.805 176.094 0.128 0.000 1.099 25 V CA -0.647 61.707 62.300 0.090 0.000 0.989 25 V CB 1.879 33.759 31.823 0.095 0.000 1.040 25 V HN 0.780 nan 8.190 nan 0.000 0.434 26 S N 0.281 116.034 115.700 0.088 0.000 2.971 26 S HA 0.730 5.206 4.470 0.010 0.000 0.320 26 S C -1.192 173.309 174.600 -0.164 0.000 1.111 26 S CA -0.370 57.857 58.200 0.044 0.000 0.870 26 S CB 1.495 64.720 63.200 0.042 0.000 1.331 26 S HN 1.296 nan 8.310 nan 0.000 0.635 27 H N -0.191 118.522 119.070 -0.594 0.000 3.024 27 H HA 0.288 4.850 4.556 0.011 0.000 0.324 27 H C 0.345 175.476 175.328 -0.328 0.000 1.347 27 H CA -0.248 55.495 56.048 -0.508 0.000 1.182 27 H CB 1.095 30.453 29.762 -0.673 0.000 1.889 27 H HN 0.768 nan 8.280 nan 0.000 0.528 28 R N 0.442 120.558 120.500 -0.640 0.000 2.189 28 R HA -0.058 4.288 4.340 0.010 0.000 0.223 28 R C 1.211 177.458 176.300 -0.088 0.000 1.092 28 R CA 1.653 57.577 56.100 -0.293 0.000 0.989 28 R CB -0.154 29.981 30.300 -0.275 0.000 0.876 28 R HN 0.334 nan 8.270 nan 0.000 0.457 29 S N -0.031 115.703 115.700 0.056 0.000 2.522 29 S HA -0.059 4.417 4.470 0.010 0.000 0.227 29 S C 0.415 175.193 174.600 0.297 0.000 0.986 29 S CA -0.290 58.059 58.200 0.248 0.000 0.929 29 S CB -0.547 62.878 63.200 0.375 0.000 0.769 29 S HN 0.460 nan 8.310 nan 0.000 0.529 30 H N 1.793 120.947 119.070 0.139 0.000 2.764 30 H HA 0.331 4.892 4.556 0.009 0.000 0.341 30 H C -0.149 175.222 175.328 0.070 0.000 1.072 30 H CA -0.464 55.642 56.048 0.097 0.000 1.444 30 H CB 0.674 30.494 29.762 0.096 0.000 1.458 30 H HN 0.206 nan 8.280 nan 0.000 0.572 31 S N 1.424 117.224 115.700 0.167 0.000 2.537 31 S HA 0.066 4.542 4.470 0.010 0.000 0.275 31 S C 1.162 175.814 174.600 0.087 0.000 1.272 31 S CA -0.553 57.710 58.200 0.105 0.000 1.050 31 S CB 1.282 64.526 63.200 0.073 0.000 0.961 31 S HN 0.879 nan 8.310 nan 0.000 0.496 32 T N -1.654 112.943 114.554 0.073 0.000 2.986 32 T HA 0.241 4.597 4.350 0.010 0.000 0.264 32 T C 0.106 174.834 174.700 0.046 0.000 0.964 32 T CA -0.254 61.882 62.100 0.061 0.000 0.895 32 T CB 0.137 69.042 68.868 0.062 0.000 1.163 32 T HN 0.420 nan 8.240 nan 0.000 0.517 33 E N 4.046 124.272 120.200 0.043 0.000 2.130 33 E HA 0.293 4.649 4.350 0.010 0.000 0.284 33 E C -2.514 174.104 176.600 0.029 0.000 1.018 33 E CA -2.218 54.202 56.400 0.034 0.000 0.817 33 E CB 1.460 31.179 29.700 0.032 0.000 1.078 33 E HN 0.337 nan 8.360 nan 0.000 0.396 34 P HA 0.158 nan 4.420 nan 0.000 0.271 34 P C -0.257 177.052 177.300 0.015 0.000 1.216 34 P CA -0.091 63.021 63.100 0.021 0.000 0.771 34 P CB 1.291 33.002 31.700 0.018 0.000 0.864 35 G N 1.836 110.643 108.800 0.011 0.000 2.721 35 G HA2 0.589 4.555 3.960 0.010 0.000 0.296 35 G HA3 0.589 4.555 3.960 0.010 0.000 0.296 35 G C -1.618 173.280 174.900 -0.003 0.000 1.383 35 G CA -0.863 44.240 45.100 0.005 0.000 0.788 35 G HN 0.404 nan 8.290 nan 0.000 0.500 36 L N -0.020 121.199 121.223 -0.006 0.000 2.331 36 L HA 0.652 4.998 4.340 0.010 0.000 0.275 36 L C -0.235 176.631 176.870 -0.006 0.000 1.022 36 L CA -1.187 53.644 54.840 -0.014 0.000 0.812 36 L CB 2.019 44.067 42.059 -0.018 0.000 1.257 36 L HN 0.187 nan 8.230 nan 0.000 0.435 37 V N 3.599 123.511 119.914 -0.004 0.000 2.439 37 V HA 0.441 4.567 4.120 0.010 0.000 0.282 37 V C 0.049 176.148 176.094 0.010 0.000 1.039 37 V CA -0.395 61.916 62.300 0.019 0.000 0.913 37 V CB 1.540 33.402 31.823 0.065 0.000 0.983 37 V HN 0.464 nan 8.190 nan 0.000 0.460 38 L N 4.640 125.870 121.223 0.011 0.000 2.354 38 L HA 0.832 5.178 4.340 0.010 0.000 0.269 38 L C 0.122 177.008 176.870 0.027 0.000 1.005 38 L CA -0.452 54.392 54.840 0.006 0.000 0.819 38 L CB 2.398 44.452 42.059 -0.009 0.000 1.311 38 L HN 0.761 nan 8.230 nan 0.000 0.423 39 T N 0.346 114.924 114.554 0.039 0.000 2.916 39 T HA 0.888 5.244 4.350 0.010 0.000 0.292 39 T C -0.670 174.062 174.700 0.054 0.000 1.055 39 T CA -0.811 61.335 62.100 0.076 0.000 1.009 39 T CB 2.261 71.223 68.868 0.156 0.000 1.118 39 T HN 0.670 nan 8.240 nan 0.000 0.497 40 L N -1.963 119.305 121.223 0.075 0.000 2.775 40 L HA 0.862 5.208 4.340 0.010 0.000 0.263 40 L C 0.106 177.046 176.870 0.116 0.000 1.017 40 L CA -0.541 54.341 54.840 0.071 0.000 0.891 40 L CB 1.265 43.357 42.059 0.055 0.000 1.482 40 L HN 1.454 nan 8.230 nan 0.000 0.410 41 G N 0.563 109.438 108.800 0.124 0.000 2.451 41 G HA2 -0.032 3.934 3.960 0.010 0.000 0.208 41 G HA3 -0.032 3.934 3.960 0.010 0.000 0.208 41 G C -1.286 173.696 174.900 0.137 0.000 1.248 41 G CA -0.368 44.834 45.100 0.169 0.000 0.989 41 G HN 0.814 nan 8.290 nan 0.000 0.559 42 Q N 0.721 120.608 119.800 0.145 0.000 2.259 42 Q HA 0.552 4.898 4.340 0.010 0.000 0.249 42 Q C 0.787 176.819 176.000 0.054 0.000 0.914 42 Q CA 0.434 56.294 55.803 0.095 0.000 0.904 42 Q CB 1.275 30.070 28.738 0.095 0.000 1.213 42 Q HN 1.560 nan 8.270 nan 0.000 0.428 43 G N 1.562 110.376 108.800 0.024 0.000 4.552 43 G HA2 0.051 4.017 3.960 0.010 0.000 0.281 43 G HA3 0.051 4.017 3.960 0.010 0.000 0.281 43 G C 0.273 175.172 174.900 -0.001 0.000 1.037 43 G CA -0.335 44.765 45.100 -0.001 0.000 0.806 43 G HN 0.467 nan 8.290 nan 0.000 0.495 44 D N 0.705 121.108 120.400 0.006 0.000 2.133 44 D HA -0.145 4.501 4.640 0.010 0.000 0.195 44 D C 2.392 178.696 176.300 0.007 0.000 0.997 44 D CA 1.970 55.975 54.000 0.009 0.000 0.840 44 D CB 0.235 41.045 40.800 0.017 0.000 0.947 44 D HN 0.457 nan 8.370 nan 0.000 0.452 45 V N -3.921 115.995 119.914 0.002 0.000 3.214 45 V HA 0.614 4.740 4.120 0.010 0.000 0.330 45 V C 1.158 177.262 176.094 0.018 0.000 1.403 45 V CA 0.299 62.604 62.300 0.009 0.000 1.143 45 V CB 0.319 32.147 31.823 0.009 0.000 1.098 45 V HN 0.237 nan 8.190 nan 0.000 0.463 46 G N 1.424 110.235 108.800 0.020 0.000 2.176 46 G HA2 -0.287 3.679 3.960 0.010 0.000 0.232 46 G HA3 -0.287 3.679 3.960 0.010 0.000 0.232 46 G C 0.917 175.889 174.900 0.119 0.000 0.986 46 G CA 0.419 45.554 45.100 0.059 0.000 0.643 46 G HN 0.740 nan 8.290 nan 0.000 0.522 47 Q N 0.473 120.275 119.800 0.004 0.000 2.364 47 Q HA 0.099 4.445 4.340 0.010 0.000 0.207 47 Q C 2.352 178.410 176.000 0.098 0.000 0.970 47 Q CA 1.380 57.121 55.803 -0.104 0.000 0.888 47 Q CB -0.286 28.039 28.738 -0.688 0.000 0.951 47 Q HN 0.613 nan 8.270 nan 0.000 0.469 48 L N 0.150 121.437 121.223 0.107 0.000 2.341 48 L HA 0.126 4.472 4.340 0.010 0.000 0.214 48 L C 1.322 178.211 176.870 0.032 0.000 1.115 48 L CA 0.603 55.525 54.840 0.135 0.000 0.820 48 L CB -0.488 41.597 42.059 0.044 0.000 0.944 48 L HN 0.468 nan 8.230 nan 0.000 0.452 49 G N 0.752 109.511 108.800 -0.068 0.000 2.198 49 G HA2 -0.286 3.680 3.960 0.010 0.000 0.260 49 G HA3 -0.286 3.680 3.960 0.010 0.000 0.260 49 G C 0.474 175.132 174.900 -0.404 0.000 1.025 49 G CA 0.246 44.978 45.100 -0.613 0.000 0.769 49 G HN 0.363 nan 8.290 nan 0.000 0.507 50 L N -0.047 121.061 121.223 -0.191 0.000 2.965 50 L HA 0.536 4.882 4.340 0.010 0.000 0.254 50 L C 1.454 178.265 176.870 -0.099 0.000 1.220 50 L CA 0.189 54.944 54.840 -0.141 0.000 1.023 50 L CB -0.108 41.893 42.059 -0.096 0.000 1.355 50 L HN 1.039 nan 8.230 nan 0.000 0.545 51 G N 0.565 109.310 108.800 -0.092 0.000 2.710 51 G HA2 -0.214 3.752 3.960 0.010 0.000 0.668 51 G HA3 -0.214 3.752 3.960 0.010 0.000 0.668 51 G C 0.186 175.064 174.900 -0.037 0.000 1.320 51 G CA -0.283 44.782 45.100 -0.059 0.000 0.860 51 G HN 0.326 nan 8.290 nan 0.000 0.538 52 E N 0.252 120.436 120.200 -0.026 0.000 2.347 52 E HA -0.040 4.316 4.350 0.010 0.000 0.196 52 E C 1.786 178.376 176.600 -0.018 0.000 1.008 52 E CA 0.978 57.368 56.400 -0.017 0.000 0.852 52 E CB 0.006 29.699 29.700 -0.013 0.000 0.783 52 E HN 0.369 nan 8.360 nan 0.000 0.505 53 N N 0.119 118.805 118.700 -0.023 0.000 2.356 53 N HA 0.009 4.755 4.740 0.010 0.000 0.178 53 N C -0.218 175.276 175.510 -0.026 0.000 1.075 53 N CA 0.300 53.336 53.050 -0.023 0.000 0.889 53 N CB 0.976 39.449 38.487 -0.024 0.000 0.999 53 N HN -0.079 nan 8.380 nan 0.000 0.464 54 V N 2.681 122.577 119.914 -0.030 0.000 2.288 54 V HA 0.222 4.348 4.120 0.010 0.000 0.266 54 V C 0.938 177.017 176.094 -0.026 0.000 1.048 54 V CA -0.040 62.240 62.300 -0.033 0.000 0.842 54 V CB 1.030 32.828 31.823 -0.042 0.000 1.064 54 V HN 0.084 nan 8.190 nan 0.000 0.472 55 M N 2.161 121.748 119.600 -0.023 0.000 2.509 55 M HA 0.317 4.803 4.480 0.010 0.000 0.250 55 M C 0.605 176.898 176.300 -0.011 0.000 1.132 55 M CA 0.641 55.934 55.300 -0.013 0.000 1.080 55 M CB 0.022 32.617 32.600 -0.008 0.000 1.408 55 M HN 0.728 nan 8.290 nan 0.000 0.484 56 E N 0.462 120.643 120.200 -0.032 0.000 2.354 56 E HA 0.340 4.696 4.350 0.010 0.000 0.283 56 E C -1.190 175.361 176.600 -0.082 0.000 0.938 56 E CA -0.497 55.874 56.400 -0.049 0.000 0.777 56 E CB 2.188 31.839 29.700 -0.082 0.000 1.222 56 E HN -0.069 nan 8.360 nan 0.000 0.423 57 R N 3.449 123.909 120.500 -0.068 0.000 2.483 57 R HA 0.296 4.642 4.340 0.010 0.000 0.303 57 R C 0.136 176.383 176.300 -0.089 0.000 0.987 57 R CA -0.502 55.553 56.100 -0.076 0.000 0.881 57 R CB 1.479 31.763 30.300 -0.026 0.000 1.177 57 R HN 0.598 nan 8.270 nan 0.000 0.451 58 K N 1.147 121.449 120.400 -0.163 0.000 2.305 58 K HA 0.081 4.407 4.320 0.010 0.000 0.199 58 K C 0.268 176.879 176.600 0.018 0.000 1.047 58 K CA 0.919 57.128 56.287 -0.130 0.000 0.976 58 K CB 0.473 32.830 32.500 -0.240 0.000 0.765 58 K HN 0.219 nan 8.250 nan 0.000 0.474 59 K N 0.712 121.109 120.400 -0.005 0.000 2.443 59 K HA 0.339 4.665 4.320 0.010 0.000 0.251 59 K C -2.904 173.698 176.600 0.005 0.000 0.972 59 K CA -2.376 53.919 56.287 0.013 0.000 0.833 59 K CB 1.827 34.328 32.500 0.003 0.000 1.317 59 K HN -0.324 nan 8.250 nan 0.000 0.441 60 P HA -0.035 nan 4.420 nan 0.000 0.262 60 P C -1.381 175.914 177.300 -0.008 0.000 1.182 60 P CA 0.327 63.427 63.100 0.001 0.000 0.761 60 P CB 0.532 32.229 31.700 -0.005 0.000 0.795 61 A N 3.660 126.475 122.820 -0.009 0.000 2.365 61 A HA 0.562 4.888 4.320 0.010 0.000 0.318 61 A C -0.958 176.611 177.584 -0.025 0.000 1.091 61 A CA -0.787 51.238 52.037 -0.021 0.000 0.763 61 A CB 0.761 19.745 19.000 -0.027 0.000 1.248 61 A HN 0.537 nan 8.150 nan 0.000 0.442 62 L N 2.907 124.109 121.223 -0.034 0.000 2.410 62 L HA 0.468 4.814 4.340 0.010 0.000 0.273 62 L C -0.539 176.292 176.870 -0.065 0.000 1.144 62 L CA 0.385 55.200 54.840 -0.041 0.000 0.863 62 L CB 0.826 42.861 42.059 -0.040 0.000 1.140 62 L HN 0.398 nan 8.230 nan 0.000 0.463 63 V N 4.892 124.761 119.914 -0.075 0.000 2.370 63 V HA 0.331 4.457 4.120 0.010 0.000 0.279 63 V C 0.391 176.404 176.094 -0.135 0.000 1.029 63 V CA -0.544 61.674 62.300 -0.137 0.000 0.870 63 V CB 1.208 32.928 31.823 -0.173 0.000 0.984 63 V HN 0.883 nan 8.190 nan 0.000 0.451 64 S N 6.592 122.204 115.700 -0.147 0.000 2.488 64 S HA 0.440 4.916 4.470 0.010 0.000 0.278 64 S C -0.113 174.383 174.600 -0.174 0.000 1.259 64 S CA -0.141 57.980 58.200 -0.133 0.000 1.061 64 S CB -0.092 63.041 63.200 -0.111 0.000 0.910 64 S HN 0.452 nan 8.310 nan 0.000 0.491 65 I N 4.786 125.246 120.570 -0.184 0.000 2.474 65 I HA 0.275 4.451 4.170 0.010 0.000 0.294 65 I C -1.697 174.250 176.117 -0.283 0.000 1.005 65 I CA -2.374 58.740 61.300 -0.309 0.000 1.113 65 I CB 1.476 39.273 38.000 -0.337 0.000 1.289 65 I HN 0.342 nan 8.210 nan 0.000 0.436 66 P HA -0.062 nan 4.420 nan 0.000 0.221 66 P C -0.205 177.027 177.300 -0.112 0.000 1.145 66 P CA 1.401 64.405 63.100 -0.160 0.000 0.795 66 P CB 0.414 32.075 31.700 -0.065 0.000 0.775 67 E N -1.205 118.897 120.200 -0.163 0.000 2.378 67 E HA 0.239 4.595 4.350 0.010 0.000 0.265 67 E C -0.804 175.758 176.600 -0.064 0.000 0.932 67 E CA -1.032 55.333 56.400 -0.058 0.000 0.795 67 E CB 0.900 30.621 29.700 0.035 0.000 1.296 67 E HN -0.126 nan 8.360 nan 0.000 0.438 68 D N 0.771 121.161 120.400 -0.018 0.000 2.399 68 D HA 0.171 4.817 4.640 0.010 0.000 0.241 68 D C -0.671 175.634 176.300 0.009 0.000 1.133 68 D CA 0.175 54.169 54.000 -0.009 0.000 0.890 68 D CB 1.186 41.989 40.800 0.005 0.000 1.201 68 D HN -0.037 nan 8.370 nan 0.000 0.432 69 V N 1.923 121.843 119.914 0.009 0.000 2.555 69 V HA 0.144 4.270 4.120 0.010 0.000 0.302 69 V C 1.265 177.379 176.094 0.033 0.000 1.038 69 V CA -0.631 61.688 62.300 0.031 0.000 0.887 69 V CB 1.838 33.678 31.823 0.028 0.000 0.991 69 V HN 0.478 nan 8.190 nan 0.000 0.434 70 V N 1.173 121.112 119.914 0.042 0.000 3.431 70 V HA 0.337 4.464 4.120 0.010 0.000 0.253 70 V C 0.392 176.506 176.094 0.034 0.000 1.184 70 V CA 0.595 62.917 62.300 0.038 0.000 1.104 70 V CB -0.008 31.841 31.823 0.042 0.000 0.799 70 V HN 0.826 nan 8.190 nan 0.000 0.462 71 Q N 0.357 120.176 119.800 0.032 0.000 2.284 71 Q HA 0.730 5.076 4.340 0.010 0.000 0.269 71 Q C -1.565 174.442 176.000 0.011 0.000 1.026 71 Q CA -0.156 55.658 55.803 0.019 0.000 0.831 71 Q CB 2.315 31.061 28.738 0.013 0.000 1.322 71 Q HN 0.555 nan 8.270 nan 0.000 0.419 72 A N 3.836 126.650 122.820 -0.010 0.000 2.332 72 A HA 0.637 4.963 4.320 0.010 0.000 0.300 72 A C -1.114 176.425 177.584 -0.076 0.000 1.153 72 A CA -0.582 51.440 52.037 -0.026 0.000 0.764 72 A CB 1.275 20.271 19.000 -0.007 0.000 1.174 72 A HN 0.634 nan 8.150 nan 0.000 0.467 73 E N 1.100 121.231 120.200 -0.114 0.000 2.212 73 E HA 0.609 4.965 4.350 0.010 0.000 0.268 73 E C -0.570 175.888 176.600 -0.237 0.000 0.902 73 E CA -0.556 55.745 56.400 -0.166 0.000 0.779 73 E CB 2.278 31.879 29.700 -0.165 0.000 1.172 73 E HN 0.731 nan 8.360 nan 0.000 0.409 74 A N 2.236 124.898 122.820 -0.262 0.000 2.260 74 A HA 0.642 4.968 4.320 0.010 0.000 0.308 74 A C 0.554 177.940 177.584 -0.329 0.000 1.254 74 A CA -0.079 51.773 52.037 -0.309 0.000 0.874 74 A CB 0.720 19.429 19.000 -0.485 0.000 1.153 74 A HN 0.568 nan 8.150 nan 0.000 0.527 75 G N 1.269 109.790 108.800 -0.466 0.000 2.494 75 G HA2 0.412 4.378 3.960 0.010 0.000 0.270 75 G HA3 0.412 4.378 3.960 0.010 0.000 0.270 75 G C 1.100 175.945 174.900 -0.092 0.000 1.423 75 G CA 0.104 44.932 45.100 -0.454 0.000 1.055 75 G HN 1.024 nan 8.290 nan 0.000 0.536 76 G N -1.053 107.768 108.800 0.035 0.000 2.421 76 G HA2 -0.029 3.937 3.960 0.010 0.000 0.216 76 G HA3 -0.029 3.937 3.960 0.010 0.000 0.216 76 G C 1.009 176.007 174.900 0.164 0.000 1.171 76 G CA 0.891 46.042 45.100 0.084 0.000 0.775 76 G HN 0.348 nan 8.290 nan 0.000 0.543 77 M N 1.006 120.712 119.600 0.176 0.000 3.039 77 M HA 0.250 4.736 4.480 0.010 0.000 0.442 77 M C -0.532 175.799 176.300 0.052 0.000 1.408 77 M CA -0.188 55.153 55.300 0.068 0.000 0.804 77 M CB 0.359 32.994 32.600 0.058 0.000 1.471 77 M HN 0.549 nan 8.290 nan 0.000 0.516 78 H N -1.640 117.380 119.070 -0.084 0.000 2.966 78 H HA 0.755 5.318 4.556 0.011 0.000 0.330 78 H C -1.635 173.618 175.328 -0.124 0.000 1.292 78 H CA -0.489 55.477 56.048 -0.136 0.000 1.127 78 H CB 1.216 30.921 29.762 -0.096 0.000 1.863 78 H HN -0.084 nan 8.280 nan 0.000 0.543 79 T N 1.308 115.600 114.554 -0.437 0.000 2.916 79 T HA 0.464 4.820 4.350 0.010 0.000 0.298 79 T C -0.876 173.433 174.700 -0.651 0.000 1.031 79 T CA -0.598 61.131 62.100 -0.619 0.000 0.993 79 T CB 1.723 70.102 68.868 -0.814 0.000 1.045 79 T HN 0.469 nan 8.240 nan 0.000 0.454 80 V N 2.015 121.698 119.914 -0.385 0.000 2.483 80 V HA 0.483 4.610 4.120 0.010 0.000 0.297 80 V C -0.487 175.564 176.094 -0.071 0.000 1.027 80 V CA -0.785 61.422 62.300 -0.155 0.000 0.855 80 V CB 1.508 33.289 31.823 -0.069 0.000 0.995 80 V HN 1.086 nan 8.190 nan 0.000 0.424 81 C N 5.932 125.265 119.300 0.053 0.000 2.345 81 C HA 0.661 5.127 4.460 0.010 0.000 0.323 81 C C -0.156 174.941 174.990 0.179 0.000 1.276 81 C CA -0.680 58.409 59.018 0.119 0.000 1.543 81 C CB 1.008 28.860 27.740 0.187 0.000 2.211 81 C HN 0.773 nan 8.230 nan 0.000 0.493 82 L N 4.563 125.857 121.223 0.119 0.000 2.272 82 L HA 0.537 4.883 4.340 0.010 0.000 0.289 82 L C 0.625 177.572 176.870 0.129 0.000 1.032 82 L CA 0.523 55.434 54.840 0.118 0.000 0.810 82 L CB 0.998 43.092 42.059 0.059 0.000 1.205 82 L HN 0.841 nan 8.230 nan 0.000 0.422 83 S N 3.211 119.020 115.700 0.181 0.000 2.600 83 S HA 0.200 4.676 4.470 0.010 0.000 0.265 83 S C 1.098 175.753 174.600 0.092 0.000 1.325 83 S CA -0.128 58.167 58.200 0.159 0.000 1.002 83 S CB 1.010 64.363 63.200 0.254 0.000 0.921 83 S HN 0.705 nan 8.310 nan 0.000 0.554 84 K N 1.429 121.871 120.400 0.070 0.000 2.152 84 K HA -0.116 4.210 4.320 0.010 0.000 0.206 84 K C 2.074 178.703 176.600 0.049 0.000 1.048 84 K CA 2.000 58.318 56.287 0.052 0.000 0.933 84 K CB -0.839 31.686 32.500 0.041 0.000 0.721 84 K HN 0.778 nan 8.250 nan 0.000 0.447 85 S N -1.647 114.087 115.700 0.057 0.000 2.603 85 S HA 0.157 4.633 4.470 0.010 0.000 0.220 85 S C 1.259 175.879 174.600 0.033 0.000 0.967 85 S CA 0.400 58.627 58.200 0.044 0.000 0.920 85 S CB -0.058 63.170 63.200 0.047 0.000 0.773 85 S HN 0.539 nan 8.310 nan 0.000 0.529 86 G N 0.303 109.126 108.800 0.038 0.000 2.144 86 G HA2 -0.183 3.783 3.960 0.010 0.000 0.218 86 G HA3 -0.183 3.783 3.960 0.010 0.000 0.218 86 G C -0.282 174.617 174.900 -0.002 0.000 0.988 86 G CA -0.159 44.951 45.100 0.017 0.000 0.659 86 G HN 0.593 nan 8.290 nan 0.000 0.522 87 Q N -0.346 119.461 119.800 0.012 0.000 2.214 87 Q HA 0.638 4.984 4.340 0.010 0.000 0.251 87 Q C -0.255 175.707 176.000 -0.063 0.000 0.936 87 Q CA -0.766 54.992 55.803 -0.074 0.000 0.894 87 Q CB 2.706 31.366 28.738 -0.130 0.000 1.252 87 Q HN 0.167 nan 8.270 nan 0.000 0.448 88 V N 2.472 122.280 119.914 -0.176 0.000 2.398 88 V HA 0.339 4.465 4.120 0.010 0.000 0.286 88 V C -1.106 174.846 176.094 -0.237 0.000 1.026 88 V CA -0.656 61.604 62.300 -0.067 0.000 0.868 88 V CB 0.368 32.223 31.823 0.052 0.000 0.982 88 V HN 0.592 nan 8.190 nan 0.000 0.443 89 Y N 2.338 122.687 120.300 0.082 0.000 2.429 89 Y HA 0.691 5.248 4.550 0.010 0.000 0.342 89 Y C 0.536 176.518 175.900 0.136 0.000 1.004 89 Y CA -0.504 57.666 58.100 0.117 0.000 1.075 89 Y CB 2.316 40.867 38.460 0.152 0.000 1.214 89 Y HN 0.712 nan 8.280 nan 0.000 0.455 90 S N 2.622 118.500 115.700 0.297 0.000 2.595 90 S HA 0.920 5.396 4.470 0.010 0.000 0.281 90 S C -1.358 173.420 174.600 0.296 0.000 1.117 90 S CA -0.833 57.461 58.200 0.156 0.000 0.873 90 S CB 1.837 65.143 63.200 0.176 0.000 1.108 90 S HN 0.588 nan 8.310 nan 0.000 0.477 91 F N -1.775 118.256 119.950 0.135 0.000 2.672 91 F HA 0.925 5.457 4.527 0.009 0.000 0.311 91 F C 0.109 175.958 175.800 0.081 0.000 1.113 91 F CA -0.039 58.012 58.000 0.084 0.000 0.996 91 F CB 1.177 40.209 39.000 0.053 0.000 1.286 91 F HN 1.313 nan 8.300 nan 0.000 0.441 92 G N -0.387 108.545 108.800 0.219 0.000 2.293 92 G HA2 0.154 4.120 3.960 0.010 0.000 0.282 92 G HA3 0.154 4.120 3.960 0.010 0.000 0.282 92 G C -1.523 173.420 174.900 0.073 0.000 1.299 92 G CA -0.579 44.590 45.100 0.115 0.000 1.018 92 G HN 1.316 nan 8.290 nan 0.000 0.478 93 C N 0.750 120.076 119.300 0.043 0.000 2.651 93 C HA 0.575 5.041 4.460 0.010 0.000 0.410 93 C C 1.265 176.240 174.990 -0.025 0.000 1.372 93 C CA 0.524 59.549 59.018 0.012 0.000 1.707 93 C CB -0.788 26.957 27.740 0.009 0.000 2.501 93 C HN 0.737 nan 8.230 nan 0.000 0.598 94 N N 2.625 121.318 118.700 -0.012 0.000 2.338 94 N HA 0.166 4.912 4.740 0.010 0.000 0.251 94 N C 0.808 176.308 175.510 -0.017 0.000 1.199 94 N CA -0.028 53.009 53.050 -0.022 0.000 0.879 94 N CB 0.016 38.502 38.487 -0.002 0.000 1.159 94 N HN 0.679 nan 8.380 nan 0.000 0.514 95 D N 0.180 120.571 120.400 -0.014 0.000 2.178 95 D HA -0.088 4.559 4.640 0.010 0.000 0.201 95 D C 0.867 177.162 176.300 -0.008 0.000 0.980 95 D CA 1.139 55.136 54.000 -0.006 0.000 0.842 95 D CB 0.337 41.138 40.800 0.002 0.000 0.948 95 D HN 0.348 nan 8.370 nan 0.000 0.472 96 E N -0.943 119.245 120.200 -0.021 0.000 2.498 96 E HA 0.245 4.601 4.350 0.010 0.000 0.203 96 E C 1.158 177.747 176.600 -0.019 0.000 1.013 96 E CA 0.257 56.644 56.400 -0.021 0.000 0.927 96 E CB 0.972 30.655 29.700 -0.029 0.000 1.012 96 E HN 0.240 nan 8.360 nan 0.000 0.482 97 G N 1.333 110.125 108.800 -0.013 0.000 2.141 97 G HA2 -0.339 3.627 3.960 0.010 0.000 0.231 97 G HA3 -0.339 3.627 3.960 0.010 0.000 0.231 97 G C 1.171 176.127 174.900 0.095 0.000 0.984 97 G CA 0.498 45.614 45.100 0.027 0.000 0.660 97 G HN 0.396 nan 8.290 nan 0.000 0.525 98 A N -0.214 122.585 122.820 -0.035 0.000 2.019 98 A HA 0.251 4.578 4.320 0.010 0.000 0.219 98 A C 2.344 179.986 177.584 0.096 0.000 1.164 98 A CA 1.724 53.669 52.037 -0.153 0.000 0.644 98 A CB -0.246 18.335 19.000 -0.698 0.000 0.805 98 A HN 0.814 nan 8.150 nan 0.000 0.449 99 L N -1.359 119.920 121.223 0.094 0.000 2.313 99 L HA 0.070 4.416 4.340 0.010 0.000 0.214 99 L C 1.785 178.712 176.870 0.095 0.000 1.119 99 L CA 0.635 55.571 54.840 0.161 0.000 0.809 99 L CB -0.724 41.376 42.059 0.069 0.000 0.933 99 L HN 0.585 nan 8.230 nan 0.000 0.449 100 G N 1.816 110.559 108.800 -0.094 0.000 2.198 100 G HA2 -0.298 3.668 3.960 0.010 0.000 0.260 100 G HA3 -0.298 3.668 3.960 0.010 0.000 0.260 100 G C 0.222 174.841 174.900 -0.469 0.000 1.025 100 G CA 0.708 45.363 45.100 -0.741 0.000 0.769 100 G HN 0.615 nan 8.290 nan 0.000 0.507 101 R N -1.633 118.733 120.500 -0.224 0.000 2.690 101 R HA 0.550 4.896 4.340 0.010 0.000 0.269 101 R C -1.830 174.417 176.300 -0.089 0.000 1.037 101 R CA -0.985 55.017 56.100 -0.164 0.000 0.877 101 R CB 0.625 30.843 30.300 -0.136 0.000 1.255 101 R HN 0.021 nan 8.270 nan 0.000 0.467 102 D N 1.614 121.969 120.400 -0.075 0.000 2.325 102 D HA 0.117 4.763 4.640 0.010 0.000 0.251 102 D C 0.015 176.299 176.300 -0.027 0.000 1.196 102 D CA 0.105 54.077 54.000 -0.048 0.000 0.866 102 D CB 1.299 42.071 40.800 -0.047 0.000 1.101 102 D HN 0.586 nan 8.370 nan 0.000 0.476 103 T N 0.027 114.571 114.554 -0.017 0.000 3.308 103 T HA 0.176 4.532 4.350 0.010 0.000 0.270 103 T C 1.369 176.067 174.700 -0.004 0.000 0.992 103 T CA -0.549 61.548 62.100 -0.003 0.000 0.931 103 T CB 0.062 68.934 68.868 0.008 0.000 1.142 103 T HN 0.097 nan 8.240 nan 0.000 0.525 104 S N 1.042 116.736 115.700 -0.009 0.000 2.370 104 S HA -0.010 4.466 4.470 0.010 0.000 0.226 104 S C 1.116 175.713 174.600 -0.005 0.000 1.033 104 S CA 0.419 58.614 58.200 -0.007 0.000 1.011 104 S CB -0.268 62.926 63.200 -0.010 0.000 0.852 104 S HN 0.592 nan 8.310 nan 0.000 0.457 105 V N 3.932 123.843 119.914 -0.005 0.000 2.493 105 V HA 0.010 4.136 4.120 0.010 0.000 0.292 105 V C 0.557 176.651 176.094 -0.000 0.000 1.016 105 V CA -0.143 62.155 62.300 -0.003 0.000 1.097 105 V CB 0.117 31.938 31.823 -0.004 0.000 0.947 105 V HN 0.332 nan 8.190 nan 0.000 0.479 106 E N 3.962 124.161 120.200 -0.001 0.000 2.558 106 E HA 0.081 4.437 4.350 0.010 0.000 0.255 106 E C 1.354 177.954 176.600 0.001 0.000 0.968 106 E CA 1.143 57.544 56.400 0.001 0.000 0.939 106 E CB 0.374 30.074 29.700 -0.000 0.000 0.921 106 E HN 1.067 nan 8.360 nan 0.000 0.477 107 G N 2.829 111.632 108.800 0.004 0.000 2.205 107 G HA2 -0.402 3.564 3.960 0.010 0.000 0.261 107 G HA3 -0.402 3.564 3.960 0.010 0.000 0.261 107 G C 1.109 176.014 174.900 0.008 0.000 0.980 107 G CA 0.907 46.010 45.100 0.004 0.000 0.632 107 G HN 0.596 nan 8.290 nan 0.000 0.533 108 S N 0.809 116.515 115.700 0.011 0.000 2.474 108 S HA -0.036 4.440 4.470 0.010 0.000 0.235 108 S C 1.817 176.439 174.600 0.037 0.000 0.997 108 S CA 1.641 59.852 58.200 0.017 0.000 0.949 108 S CB -0.108 63.099 63.200 0.012 0.000 0.766 108 S HN 0.867 nan 8.310 nan 0.000 0.517 109 E N 0.986 121.212 120.200 0.043 0.000 2.478 109 E HA 0.052 4.408 4.350 0.010 0.000 0.194 109 E C 1.324 177.982 176.600 0.096 0.000 1.045 109 E CA 0.177 56.621 56.400 0.074 0.000 0.868 109 E CB -0.340 29.394 29.700 0.057 0.000 0.885 109 E HN 0.486 nan 8.360 nan 0.000 0.505 110 M N 1.355 120.986 119.600 0.051 0.000 2.561 110 M HA 0.149 4.635 4.480 0.010 0.000 0.238 110 M C 0.852 177.138 176.300 -0.024 0.000 1.131 110 M CA 0.119 55.437 55.300 0.029 0.000 1.046 110 M CB 0.082 32.683 32.600 0.001 0.000 1.532 110 M HN 0.017 nan 8.290 nan 0.000 0.497 111 V N -2.666 117.235 119.914 -0.021 0.000 3.040 111 V HA 0.672 4.798 4.120 0.010 0.000 0.312 111 V C -2.954 173.113 176.094 -0.045 0.000 1.115 111 V CA -2.704 59.522 62.300 -0.124 0.000 0.998 111 V CB 1.404 33.174 31.823 -0.088 0.000 1.042 111 V HN -0.104 nan 8.190 nan 0.000 0.433 112 P HA 0.402 nan 4.420 nan 0.000 0.264 112 P C 0.040 177.469 177.300 0.216 0.000 1.183 112 P CA 0.896 64.093 63.100 0.160 0.000 0.763 112 P CB 0.487 32.198 31.700 0.019 0.000 0.807 113 G N 1.577 110.556 108.800 0.298 0.000 2.619 113 G HA2 0.492 4.458 3.960 0.010 0.000 0.296 113 G HA3 0.492 4.458 3.960 0.010 0.000 0.296 113 G C -1.516 173.469 174.900 0.141 0.000 1.334 113 G CA -0.681 44.536 45.100 0.195 0.000 0.934 113 G HN 0.347 nan 8.290 nan 0.000 0.476 114 K N 0.631 121.019 120.400 -0.020 0.000 2.205 114 K HA 0.498 4.824 4.320 0.010 0.000 0.279 114 K C -0.152 176.300 176.600 -0.246 0.000 1.027 114 K CA -0.482 55.619 56.287 -0.310 0.000 0.932 114 K CB 1.273 33.547 32.500 -0.376 0.000 1.032 114 K HN 0.193 nan 8.250 nan 0.000 0.466 115 V N 3.612 123.342 119.914 -0.306 0.000 2.488 115 V HA 0.040 4.166 4.120 0.010 0.000 0.277 115 V C 0.052 175.950 176.094 -0.326 0.000 1.046 115 V CA -0.353 61.745 62.300 -0.337 0.000 0.986 115 V CB 1.101 32.673 31.823 -0.418 0.000 0.989 115 V HN 0.739 nan 8.190 nan 0.000 0.475 116 E N 4.426 124.447 120.200 -0.298 0.000 1.932 116 E HA 0.428 4.784 4.350 0.010 0.000 0.275 116 E C -1.006 175.425 176.600 -0.282 0.000 1.159 116 E CA -0.008 56.244 56.400 -0.246 0.000 0.905 116 E CB 0.391 29.978 29.700 -0.188 0.000 1.059 116 E HN 0.500 nan 8.360 nan 0.000 0.400 117 L N 3.786 124.840 121.223 -0.281 0.000 2.541 117 L HA 0.254 4.600 4.340 0.010 0.000 0.266 117 L C -0.812 175.901 176.870 -0.261 0.000 0.966 117 L CA -0.016 54.627 54.840 -0.328 0.000 0.871 117 L CB 1.820 43.628 42.059 -0.419 0.000 1.232 117 L HN 0.419 nan 8.230 nan 0.000 0.408 118 Q N 4.209 123.876 119.800 -0.222 0.000 3.179 118 Q HA 0.245 4.591 4.340 0.010 0.000 0.328 118 Q C -0.788 175.126 176.000 -0.143 0.000 1.336 118 Q CA 0.083 55.795 55.803 -0.151 0.000 0.939 118 Q CB 0.226 28.901 28.738 -0.106 0.000 1.658 118 Q HN 0.478 nan 8.270 nan 0.000 0.486 119 E N 0.807 120.907 120.200 -0.166 0.000 2.367 119 E HA 0.244 4.600 4.350 0.010 0.000 0.273 119 E C -0.935 175.620 176.600 -0.076 0.000 0.903 119 E CA -0.753 55.575 56.400 -0.121 0.000 0.764 119 E CB 1.781 31.365 29.700 -0.194 0.000 1.252 119 E HN 0.001 nan 8.360 nan 0.000 0.446 120 K N 2.358 122.741 120.400 -0.029 0.000 2.219 120 K HA 0.238 4.564 4.320 0.010 0.000 0.280 120 K C -0.618 175.981 176.600 -0.001 0.000 1.104 120 K CA -0.262 56.018 56.287 -0.012 0.000 0.925 120 K CB 0.232 32.736 32.500 0.006 0.000 1.261 120 K HN 0.230 nan 8.250 nan 0.000 0.445 121 V N 4.800 124.709 119.914 -0.008 0.000 2.583 121 V HA 0.020 4.146 4.120 0.010 0.000 0.287 121 V C 1.243 177.325 176.094 -0.019 0.000 1.051 121 V CA -0.175 62.126 62.300 0.003 0.000 1.010 121 V CB 1.335 33.170 31.823 0.021 0.000 0.988 121 V HN 0.661 nan 8.190 nan 0.000 0.478 122 V N 1.201 121.072 119.914 -0.072 0.000 3.604 122 V HA 0.412 4.538 4.120 0.010 0.000 0.277 122 V C 0.178 176.094 176.094 -0.297 0.000 1.399 122 V CA 0.314 62.520 62.300 -0.155 0.000 1.034 122 V CB -0.102 31.619 31.823 -0.171 0.000 0.824 122 V HN 0.858 nan 8.190 nan 0.000 0.439 123 Q N 0.621 120.279 119.800 -0.237 0.000 2.426 123 Q HA 0.624 4.970 4.340 0.010 0.000 0.278 123 Q C -1.792 174.157 176.000 -0.085 0.000 1.007 123 Q CA -0.373 55.316 55.803 -0.190 0.000 0.850 123 Q CB 3.110 31.667 28.738 -0.301 0.000 1.427 123 Q HN 0.449 nan 8.270 nan 0.000 0.391 124 V N -0.630 119.249 119.914 -0.059 0.000 3.074 124 V HA 1.010 5.136 4.120 0.010 0.000 0.314 124 V C -0.832 175.211 176.094 -0.085 0.000 1.117 124 V CA -0.158 62.106 62.300 -0.060 0.000 1.014 124 V CB 1.800 33.602 31.823 -0.034 0.000 1.057 124 V HN 0.905 nan 8.190 nan 0.000 0.438 125 S N 0.346 115.970 115.700 -0.126 0.000 2.570 125 S HA 0.974 5.450 4.470 0.010 0.000 0.270 125 S C -0.670 173.795 174.600 -0.225 0.000 1.149 125 S CA -0.224 57.890 58.200 -0.144 0.000 0.837 125 S CB 1.611 64.748 63.200 -0.106 0.000 1.124 125 S HN 2.528 nan 8.310 nan 0.000 0.465 126 A N 0.654 123.311 122.820 -0.271 0.000 2.488 126 A HA 0.944 5.270 4.320 0.010 0.000 0.298 126 A C 0.106 177.421 177.584 -0.448 0.000 1.044 126 A CA -0.319 51.489 52.037 -0.382 0.000 0.693 126 A CB 1.217 19.977 19.000 -0.400 0.000 1.272 126 A HN 1.604 nan 8.150 nan 0.000 0.402 127 G N -0.046 108.324 108.800 -0.716 0.000 3.122 127 G HA2 0.451 4.417 3.960 0.010 0.000 0.180 127 G HA3 0.451 4.417 3.960 0.010 0.000 0.180 127 G C 0.145 174.974 174.900 -0.118 0.000 1.279 127 G CA 0.386 45.222 45.100 -0.439 0.000 0.987 127 G HN 0.577 nan 8.290 nan 0.000 0.589 128 D N -1.069 119.339 120.400 0.014 0.000 2.117 128 D HA 0.027 4.673 4.640 0.010 0.000 0.198 128 D C 1.963 178.301 176.300 0.063 0.000 0.982 128 D CA 1.576 55.622 54.000 0.076 0.000 0.828 128 D CB 0.332 41.195 40.800 0.106 0.000 0.967 128 D HN 0.190 nan 8.370 nan 0.000 0.464 129 S N -1.777 113.946 115.700 0.039 0.000 2.893 129 S HA 0.079 4.555 4.470 0.010 0.000 0.258 129 S C -0.324 174.197 174.600 -0.131 0.000 1.034 129 S CA -0.626 57.539 58.200 -0.058 0.000 1.167 129 S CB 0.442 63.643 63.200 0.002 0.000 1.137 129 S HN 0.417 nan 8.310 nan 0.000 0.650 130 H N -0.200 118.741 119.070 -0.214 0.000 2.865 130 H HA 0.729 5.291 4.556 0.010 0.000 0.372 130 H C -1.526 173.618 175.328 -0.307 0.000 1.173 130 H CA -0.490 55.349 56.048 -0.348 0.000 1.147 130 H CB 1.444 30.901 29.762 -0.509 0.000 1.805 130 H HN -0.117 nan 8.280 nan 0.000 0.553 131 T N 1.019 115.224 114.554 -0.583 0.000 2.912 131 T HA 0.689 5.045 4.350 0.010 0.000 0.299 131 T C -0.767 173.367 174.700 -0.944 0.000 1.052 131 T CA -0.422 61.210 62.100 -0.781 0.000 0.996 131 T CB 1.617 69.933 68.868 -0.920 0.000 1.070 131 T HN 0.899 nan 8.240 nan 0.000 0.465 132 A N 1.512 123.988 122.820 -0.575 0.000 2.413 132 A HA 1.000 5.326 4.320 0.010 0.000 0.307 132 A C -0.932 176.496 177.584 -0.259 0.000 1.087 132 A CA -0.872 50.935 52.037 -0.383 0.000 0.750 132 A CB 1.493 20.423 19.000 -0.117 0.000 1.296 132 A HN 1.204 nan 8.150 nan 0.000 0.423 133 A N 0.623 123.414 122.820 -0.050 0.000 2.449 133 A HA 0.703 5.029 4.320 0.010 0.000 0.302 133 A C -1.546 176.118 177.584 0.135 0.000 1.048 133 A CA -0.419 51.674 52.037 0.093 0.000 0.708 133 A CB 1.336 20.507 19.000 0.285 0.000 1.274 133 A HN 1.652 nan 8.150 nan 0.000 0.410 134 L N 2.326 123.588 121.223 0.065 0.000 2.313 134 L HA 0.667 5.013 4.340 0.010 0.000 0.283 134 L C 0.736 177.646 176.870 0.067 0.000 1.013 134 L CA 0.238 55.112 54.840 0.057 0.000 0.816 134 L CB 1.584 43.631 42.059 -0.020 0.000 1.236 134 L HN 0.916 nan 8.230 nan 0.000 0.419 135 T N -0.171 114.461 114.554 0.130 0.000 2.788 135 T HA 0.195 4.551 4.350 0.010 0.000 0.287 135 T C 0.880 175.626 174.700 0.076 0.000 1.007 135 T CA 0.091 62.258 62.100 0.111 0.000 1.005 135 T CB 0.602 69.574 68.868 0.173 0.000 1.012 135 T HN 0.701 nan 8.240 nan 0.000 0.530 136 D N -0.030 120.410 120.400 0.065 0.000 2.310 136 D HA -0.145 4.501 4.640 0.010 0.000 0.212 136 D C 1.053 177.403 176.300 0.084 0.000 0.965 136 D CA 0.912 54.956 54.000 0.074 0.000 0.879 136 D CB -0.367 40.468 40.800 0.060 0.000 0.921 136 D HN 0.796 nan 8.370 nan 0.000 0.510 137 D N -1.016 119.431 120.400 0.078 0.000 2.368 137 D HA 0.182 4.828 4.640 0.010 0.000 0.218 137 D C 1.361 177.701 176.300 0.066 0.000 1.112 137 D CA 0.277 54.318 54.000 0.069 0.000 0.834 137 D CB -0.176 40.659 40.800 0.059 0.000 0.953 137 D HN 0.311 nan 8.370 nan 0.000 0.505 138 G N 0.957 109.802 108.800 0.076 0.000 2.132 138 G HA2 -0.276 3.690 3.960 0.010 0.000 0.228 138 G HA3 -0.276 3.690 3.960 0.010 0.000 0.228 138 G C -0.030 174.887 174.900 0.029 0.000 1.000 138 G CA -0.379 44.755 45.100 0.058 0.000 0.693 138 G HN 0.406 nan 8.290 nan 0.000 0.515 139 R N -0.712 119.818 120.500 0.049 0.000 2.474 139 R HA 0.642 4.989 4.340 0.010 0.000 0.295 139 R C 0.061 176.373 176.300 0.020 0.000 0.980 139 R CA -0.711 55.390 56.100 0.002 0.000 0.934 139 R CB 2.113 32.425 30.300 0.019 0.000 1.101 139 R HN 0.086 nan 8.270 nan 0.000 0.469 140 V N 3.743 123.600 119.914 -0.096 0.000 2.472 140 V HA 0.406 4.532 4.120 0.010 0.000 0.290 140 V C -0.623 175.355 176.094 -0.194 0.000 1.037 140 V CA -0.463 61.807 62.300 -0.049 0.000 0.908 140 V CB 1.044 32.830 31.823 -0.062 0.000 0.985 140 V HN 0.507 nan 8.190 nan 0.000 0.454 141 F N 4.659 124.659 119.950 0.084 0.000 2.469 141 F HA 0.737 5.270 4.527 0.010 0.000 0.332 141 F C -0.211 175.685 175.800 0.161 0.000 1.103 141 F CA -0.609 57.494 58.000 0.173 0.000 0.979 141 F CB 1.828 40.991 39.000 0.272 0.000 1.137 141 F HN 0.307 nan 8.300 nan 0.000 0.463 142 L N 4.328 125.733 121.223 0.303 0.000 2.388 142 L HA 0.769 5.115 4.340 0.010 0.000 0.264 142 L C -1.696 175.354 176.870 0.301 0.000 0.998 142 L CA -0.732 54.163 54.840 0.091 0.000 0.817 142 L CB 1.672 43.737 42.059 0.011 0.000 1.338 142 L HN 0.697 nan 8.230 nan 0.000 0.414 143 W N 3.066 124.368 121.300 0.003 0.000 3.025 143 W HA 0.882 5.547 4.660 0.009 0.000 0.343 143 W C 0.016 176.475 176.519 -0.099 0.000 1.246 143 W CA -0.387 56.934 57.345 -0.040 0.000 1.178 143 W CB 0.230 29.680 29.460 -0.017 0.000 1.463 143 W HN 1.034 nan 8.180 nan 0.000 0.578 144 G N 0.949 109.837 108.800 0.147 0.000 2.513 144 G HA2 0.398 4.364 3.960 0.010 0.000 0.227 144 G HA3 0.398 4.364 3.960 0.010 0.000 0.227 144 G C -0.231 174.591 174.900 -0.130 0.000 1.176 144 G CA 0.627 45.716 45.100 -0.019 0.000 0.967 144 G HN 2.338 nan 8.290 nan 0.000 0.587 145 S N -1.287 114.278 115.700 -0.226 0.000 2.615 145 S HA 0.789 5.265 4.470 0.010 0.000 0.269 145 S C -1.242 173.140 174.600 -0.363 0.000 1.161 145 S CA -0.673 57.358 58.200 -0.281 0.000 0.817 145 S CB 1.843 64.995 63.200 -0.081 0.000 1.131 145 S HN 1.327 nan 8.310 nan 0.000 0.467 146 F N 0.786 120.753 119.950 0.027 0.000 2.470 146 F HA 0.762 5.295 4.527 0.010 0.000 0.329 146 F C 0.916 176.752 175.800 0.059 0.000 1.072 146 F CA -0.686 57.334 58.000 0.034 0.000 0.989 146 F CB 1.779 40.772 39.000 -0.012 0.000 1.193 146 F HN 0.564 nan 8.300 nan 0.000 0.481 147 R N 0.649 121.324 120.500 0.291 0.000 2.854 147 R HA 0.478 4.824 4.340 0.010 0.000 0.271 147 R C -1.243 175.170 176.300 0.188 0.000 0.994 147 R CA -1.087 55.130 56.100 0.196 0.000 0.945 147 R CB 1.992 32.386 30.300 0.157 0.000 1.194 147 R HN 0.690 nan 8.270 nan 0.000 0.476 148 D N -0.627 119.860 120.400 0.146 0.000 2.666 148 D HA 0.125 4.771 4.640 0.010 0.000 0.252 148 D C 0.172 176.534 176.300 0.103 0.000 1.143 148 D CA -0.674 53.401 54.000 0.125 0.000 1.096 148 D CB 0.234 41.104 40.800 0.116 0.000 1.260 148 D HN 0.205 nan 8.370 nan 0.000 0.633 149 N N -0.618 118.127 118.700 0.075 0.000 2.364 149 N HA -0.077 4.669 4.740 0.010 0.000 0.183 149 N C 0.514 176.060 175.510 0.061 0.000 1.022 149 N CA 0.651 53.735 53.050 0.057 0.000 0.883 149 N CB -0.230 38.276 38.487 0.032 0.000 0.965 149 N HN 0.378 nan 8.380 nan 0.000 0.438 150 N N -0.055 118.683 118.700 0.065 0.000 2.236 150 N HA 0.158 4.904 4.740 0.010 0.000 0.196 150 N C 0.889 176.434 175.510 0.059 0.000 1.114 150 N CA 0.346 53.431 53.050 0.057 0.000 0.859 150 N CB 1.468 39.986 38.487 0.052 0.000 0.982 150 N HN 0.192 nan 8.380 nan 0.000 0.493 151 G N -0.432 108.411 108.800 0.071 0.000 2.334 151 G HA2 -0.084 3.882 3.960 0.010 0.000 0.315 151 G HA3 -0.084 3.882 3.960 0.010 0.000 0.315 151 G C -1.173 173.777 174.900 0.084 0.000 1.284 151 G CA -0.892 44.250 45.100 0.071 0.000 0.985 151 G HN -0.077 nan 8.290 nan 0.000 0.504 152 V N 1.124 121.083 119.914 0.076 0.000 2.673 152 V HA 0.276 4.402 4.120 0.010 0.000 0.303 152 V C 1.915 178.062 176.094 0.088 0.000 1.046 152 V CA 1.135 63.486 62.300 0.084 0.000 1.126 152 V CB 0.748 32.608 31.823 0.061 0.000 0.934 152 V HN 0.954 nan 8.190 nan 0.000 0.487 153 I N 1.106 121.746 120.570 0.116 0.000 4.035 153 I HA 0.699 4.875 4.170 0.010 0.000 0.321 153 I C 0.863 177.047 176.117 0.112 0.000 1.289 153 I CA 0.584 61.952 61.300 0.113 0.000 1.236 153 I CB 0.476 38.555 38.000 0.131 0.000 1.076 153 I HN 0.809 nan 8.210 nan 0.000 0.418 154 G N 1.343 110.216 108.800 0.120 0.000 2.316 154 G HA2 -0.001 3.965 3.960 0.010 0.000 0.349 154 G HA3 -0.001 3.965 3.960 0.010 0.000 0.349 154 G C -0.831 174.138 174.900 0.117 0.000 1.274 154 G CA -0.106 45.052 45.100 0.097 0.000 1.018 154 G HN 0.134 nan 8.290 nan 0.000 0.486 155 L N -1.285 119.987 121.223 0.081 0.000 3.031 155 L HA 0.628 4.974 4.340 0.010 0.000 0.167 155 L C 1.973 178.949 176.870 0.176 0.000 1.203 155 L CA 0.866 55.726 54.840 0.034 0.000 0.857 155 L CB -0.206 41.799 42.059 -0.089 0.000 1.368 155 L HN 0.555 nan 8.230 nan 0.000 0.534 156 L N -0.969 120.313 121.223 0.099 0.000 2.664 156 L HA 0.346 4.693 4.340 0.010 0.000 0.233 156 L C -0.292 176.619 176.870 0.069 0.000 1.113 156 L CA -0.021 54.875 54.840 0.093 0.000 0.896 156 L CB 0.443 42.538 42.059 0.058 0.000 1.163 156 L HN 0.217 nan 8.230 nan 0.000 0.497 157 E N -0.188 120.051 120.200 0.064 0.000 2.340 157 E HA 0.336 4.692 4.350 0.010 0.000 0.273 157 E C -2.538 174.094 176.600 0.054 0.000 0.891 157 E CA -2.225 54.204 56.400 0.049 0.000 0.757 157 E CB 2.177 31.898 29.700 0.034 0.000 1.231 157 E HN -0.245 nan 8.360 nan 0.000 0.439 158 P HA -0.081 nan 4.420 nan 0.000 0.261 158 P C -0.211 177.114 177.300 0.042 0.000 1.173 158 P CA 1.016 64.144 63.100 0.046 0.000 0.760 158 P CB 0.200 31.919 31.700 0.032 0.000 0.783 159 M N -0.291 119.339 119.600 0.048 0.000 2.908 159 M HA -0.277 4.209 4.480 0.010 0.000 0.191 159 M C -0.491 175.830 176.300 0.034 0.000 0.619 159 M CA 1.438 56.762 55.300 0.040 0.000 0.709 159 M CB -1.652 30.967 32.600 0.031 0.000 2.554 159 M HN 0.374 nan 8.290 nan 0.000 0.356 160 K N 1.954 122.375 120.400 0.035 0.000 2.449 160 K HA 0.410 4.736 4.320 0.010 0.000 0.257 160 K C 0.002 176.614 176.600 0.020 0.000 0.989 160 K CA -0.694 55.608 56.287 0.026 0.000 0.916 160 K CB 1.439 33.954 32.500 0.026 0.000 1.136 160 K HN 0.226 nan 8.250 nan 0.000 0.439 161 K N 0.305 120.712 120.400 0.012 0.000 2.120 161 K HA 0.364 4.690 4.320 0.010 0.000 0.245 161 K C -0.229 176.378 176.600 0.012 0.000 1.024 161 K CA -0.649 55.637 56.287 -0.002 0.000 0.906 161 K CB 1.268 33.766 32.500 -0.005 0.000 1.051 161 K HN 0.233 nan 8.250 nan 0.000 0.491 162 S N 0.639 116.353 115.700 0.023 0.000 2.594 162 S HA 0.289 4.765 4.470 0.010 0.000 0.296 162 S C 0.424 175.062 174.600 0.064 0.000 1.124 162 S CA -0.972 57.256 58.200 0.048 0.000 1.011 162 S CB 1.034 64.279 63.200 0.075 0.000 1.016 162 S HN 0.663 nan 8.310 nan 0.000 0.485 163 M N 3.510 123.124 119.600 0.024 0.000 2.541 163 M HA 0.159 4.645 4.480 0.010 0.000 0.252 163 M C 0.557 176.814 176.300 -0.071 0.000 1.125 163 M CA 0.518 55.814 55.300 -0.006 0.000 1.091 163 M CB -0.976 31.610 32.600 -0.024 0.000 1.420 163 M HN 0.579 nan 8.290 nan 0.000 0.486 164 V N -2.530 117.351 119.914 -0.055 0.000 3.001 164 V HA 0.663 4.790 4.120 0.010 0.000 0.314 164 V C -2.912 173.164 176.094 -0.030 0.000 1.099 164 V CA -2.703 59.515 62.300 -0.137 0.000 0.989 164 V CB 1.429 33.196 31.823 -0.092 0.000 1.040 164 V HN -0.104 nan 8.190 nan 0.000 0.434 165 P HA 0.262 nan 4.420 nan 0.000 0.264 165 P C -0.775 176.739 177.300 0.357 0.000 1.193 165 P CA 0.294 63.522 63.100 0.214 0.000 0.763 165 P CB 0.722 32.402 31.700 -0.033 0.000 0.810 166 V N 4.369 124.520 119.914 0.396 0.000 2.495 166 V HA 0.274 4.400 4.120 0.010 0.000 0.298 166 V C 0.272 176.371 176.094 0.007 0.000 1.031 166 V CA -0.640 61.784 62.300 0.205 0.000 0.871 166 V CB 1.562 33.454 31.823 0.115 0.000 0.988 166 V HN 0.475 nan 8.190 nan 0.000 0.432 167 Q N 2.831 122.488 119.800 -0.238 0.000 2.327 167 Q HA 0.491 4.837 4.340 0.010 0.000 0.254 167 Q C -1.285 174.500 176.000 -0.357 0.000 0.952 167 Q CA -0.251 55.116 55.803 -0.726 0.000 0.884 167 Q CB 1.538 29.890 28.738 -0.643 0.000 1.224 167 Q HN 0.612 nan 8.270 nan 0.000 0.422 168 V N 4.848 124.540 119.914 -0.371 0.000 2.340 168 V HA 0.234 4.360 4.120 0.010 0.000 0.277 168 V C -0.689 175.281 176.094 -0.208 0.000 1.017 168 V CA -0.602 61.575 62.300 -0.204 0.000 0.820 168 V CB 1.166 32.908 31.823 -0.134 0.000 1.028 168 V HN 0.779 nan 8.190 nan 0.000 0.436 169 Q N 4.213 123.908 119.800 -0.174 0.000 2.307 169 Q HA 0.705 5.051 4.340 0.010 0.000 0.262 169 Q C -1.056 174.856 176.000 -0.146 0.000 0.961 169 Q CA -0.518 55.195 55.803 -0.151 0.000 0.882 169 Q CB 1.694 30.361 28.738 -0.119 0.000 1.264 169 Q HN 0.710 nan 8.270 nan 0.000 0.446 170 L N 1.805 122.919 121.223 -0.183 0.000 2.569 170 L HA 0.292 4.638 4.340 0.010 0.000 0.247 170 L C 1.030 177.811 176.870 -0.148 0.000 1.135 170 L CA -0.752 53.943 54.840 -0.241 0.000 0.812 170 L CB 0.443 42.231 42.059 -0.453 0.000 1.431 170 L HN 0.798 nan 8.230 nan 0.000 0.499 171 D N -0.990 119.335 120.400 -0.124 0.000 2.347 171 D HA -0.003 4.643 4.640 0.010 0.000 0.215 171 D C 0.177 176.454 176.300 -0.039 0.000 0.976 171 D CA 0.523 54.492 54.000 -0.051 0.000 0.884 171 D CB 0.002 40.797 40.800 -0.008 0.000 0.915 171 D HN 0.064 nan 8.370 nan 0.000 0.526 172 V N 0.204 120.079 119.914 -0.065 0.000 2.823 172 V HA 0.377 4.503 4.120 0.010 0.000 0.312 172 V C -2.421 173.644 176.094 -0.047 0.000 1.072 172 V CA -2.118 60.165 62.300 -0.029 0.000 0.937 172 V CB 2.211 34.040 31.823 0.010 0.000 1.013 172 V HN -0.189 nan 8.190 nan 0.000 0.430 173 P HA 0.112 nan 4.420 nan 0.000 0.266 173 P C -0.765 176.528 177.300 -0.010 0.000 1.195 173 P CA 0.111 63.208 63.100 -0.006 0.000 0.768 173 P CB 0.428 32.141 31.700 0.021 0.000 0.838 174 V N 3.883 123.787 119.914 -0.017 0.000 2.439 174 V HA 0.086 4.212 4.120 0.010 0.000 0.282 174 V C 1.432 177.535 176.094 0.015 0.000 1.039 174 V CA -0.009 62.280 62.300 -0.018 0.000 0.913 174 V CB 1.442 33.240 31.823 -0.040 0.000 0.983 174 V HN 0.479 nan 8.190 nan 0.000 0.460 175 V N 1.472 121.375 119.914 -0.018 0.000 3.565 175 V HA 0.422 4.548 4.120 0.010 0.000 0.260 175 V C 0.478 176.498 176.094 -0.122 0.000 1.231 175 V CA 0.492 62.771 62.300 -0.034 0.000 1.100 175 V CB -0.241 31.548 31.823 -0.056 0.000 0.807 175 V HN 0.756 nan 8.190 nan 0.000 0.454 176 K N 1.143 121.436 120.400 -0.178 0.000 2.523 176 K HA 0.623 4.949 4.320 0.010 0.000 0.257 176 K C -1.415 175.126 176.600 -0.099 0.000 0.932 176 K CA -0.460 55.730 56.287 -0.161 0.000 0.812 176 K CB 2.934 35.194 32.500 -0.400 0.000 1.326 176 K HN 0.205 nan 8.250 nan 0.000 0.433 177 V N -0.164 119.712 119.914 -0.064 0.000 2.667 177 V HA 1.006 5.132 4.120 0.010 0.000 0.308 177 V C -0.790 175.256 176.094 -0.079 0.000 1.048 177 V CA -0.619 61.642 62.300 -0.066 0.000 0.928 177 V CB 1.238 33.032 31.823 -0.049 0.000 1.004 177 V HN 0.884 nan 8.190 nan 0.000 0.444 178 A N 2.728 125.493 122.820 -0.092 0.000 2.520 178 A HA 0.883 5.209 4.320 0.010 0.000 0.298 178 A C -0.475 177.028 177.584 -0.136 0.000 1.051 178 A CA -0.498 51.476 52.037 -0.104 0.000 0.690 178 A CB 1.977 20.907 19.000 -0.115 0.000 1.281 178 A HN 1.015 nan 8.150 nan 0.000 0.402 179 S N -0.122 115.491 115.700 -0.146 0.000 2.536 179 S HA 0.822 5.298 4.470 0.010 0.000 0.298 179 S C 0.459 174.878 174.600 -0.302 0.000 1.083 179 S CA -0.015 58.089 58.200 -0.162 0.000 0.995 179 S CB 1.873 65.074 63.200 0.001 0.000 1.058 179 S HN 1.348 nan 8.310 nan 0.000 0.488 180 G N 1.129 109.633 108.800 -0.493 0.000 2.795 180 G HA2 0.311 4.277 3.960 0.010 0.000 0.267 180 G HA3 0.311 4.277 3.960 0.010 0.000 0.267 180 G C 0.498 175.327 174.900 -0.118 0.000 1.362 180 G CA -0.523 44.367 45.100 -0.351 0.000 1.048 180 G HN 0.564 nan 8.290 nan 0.000 0.547 181 N N 0.329 118.928 118.700 -0.168 0.000 2.069 181 N HA -0.049 4.697 4.740 0.010 0.000 0.191 181 N C 0.489 176.124 175.510 0.208 0.000 1.031 181 N CA 1.407 54.412 53.050 -0.075 0.000 0.852 181 N CB 0.183 38.505 38.487 -0.275 0.000 1.018 181 N HN 0.457 nan 8.380 nan 0.000 0.423 182 D N -0.635 119.925 120.400 0.266 0.000 2.865 182 D HA 0.054 4.700 4.640 0.010 0.000 0.347 182 D C -0.620 175.741 176.300 0.101 0.000 1.498 182 D CA -0.146 54.076 54.000 0.370 0.000 0.787 182 D CB 0.412 41.402 40.800 0.317 0.000 1.190 182 D HN 0.442 nan 8.370 nan 0.000 0.445 183 H N -0.898 118.104 119.070 -0.113 0.000 2.996 183 H HA 0.556 5.118 4.556 0.010 0.000 0.368 183 H C -1.823 173.397 175.328 -0.180 0.000 1.185 183 H CA -0.942 54.887 56.048 -0.366 0.000 1.160 183 H CB 1.913 31.529 29.762 -0.244 0.000 1.820 183 H HN -0.042 nan 8.280 nan 0.000 0.547 184 L N 3.013 124.064 121.223 -0.287 0.000 2.365 184 L HA 0.573 4.919 4.340 0.010 0.000 0.273 184 L C -0.956 175.863 176.870 -0.085 0.000 1.000 184 L CA -0.731 54.020 54.840 -0.150 0.000 0.819 184 L CB 1.553 43.599 42.059 -0.021 0.000 1.284 184 L HN 0.642 nan 8.230 nan 0.000 0.418 185 V N 2.834 122.697 119.914 -0.085 0.000 2.604 185 V HA 0.720 4.846 4.120 0.010 0.000 0.305 185 V C -0.565 175.510 176.094 -0.031 0.000 1.043 185 V CA -0.690 61.594 62.300 -0.026 0.000 0.888 185 V CB 1.800 33.606 31.823 -0.028 0.000 0.995 185 V HN 0.862 nan 8.190 nan 0.000 0.429 186 M N 5.625 125.233 119.600 0.014 0.000 2.190 186 M HA 0.538 5.024 4.480 0.010 0.000 0.312 186 M C -1.160 175.161 176.300 0.035 0.000 0.990 186 M CA -0.581 54.721 55.300 0.003 0.000 0.927 186 M CB 2.071 34.671 32.600 0.000 0.000 1.571 186 M HN 0.715 nan 8.290 nan 0.000 0.427 187 L N 4.311 125.521 121.223 -0.021 0.000 2.257 187 L HA 0.501 4.847 4.340 0.010 0.000 0.290 187 L C 0.388 177.271 176.870 0.022 0.000 1.044 187 L CA 0.154 54.997 54.840 0.006 0.000 0.810 187 L CB 1.102 43.115 42.059 -0.077 0.000 1.193 187 L HN 0.836 nan 8.230 nan 0.000 0.425 188 T N 1.838 116.455 114.554 0.104 0.000 2.788 188 T HA 0.448 4.804 4.350 0.010 0.000 0.287 188 T C 1.379 176.129 174.700 0.085 0.000 1.007 188 T CA -0.117 62.029 62.100 0.077 0.000 1.005 188 T CB 1.038 69.976 68.868 0.117 0.000 1.012 188 T HN 0.743 nan 8.240 nan 0.000 0.530 189 A N 0.585 123.448 122.820 0.071 0.000 2.024 189 A HA -0.071 4.255 4.320 0.010 0.000 0.220 189 A C 1.767 179.419 177.584 0.113 0.000 1.164 189 A CA 1.607 53.696 52.037 0.087 0.000 0.643 189 A CB -0.839 18.201 19.000 0.066 0.000 0.806 189 A HN 0.862 nan 8.150 nan 0.000 0.451 190 D N -1.663 118.810 120.400 0.123 0.000 2.340 190 D HA 0.298 4.945 4.640 0.010 0.000 0.220 190 D C 1.300 177.716 176.300 0.193 0.000 1.039 190 D CA 1.065 55.147 54.000 0.136 0.000 0.866 190 D CB 0.135 41.005 40.800 0.118 0.000 0.913 190 D HN 0.598 nan 8.370 nan 0.000 0.523 191 G N 0.864 109.791 108.800 0.211 0.000 2.141 191 G HA2 -0.206 3.760 3.960 0.010 0.000 0.231 191 G HA3 -0.206 3.760 3.960 0.010 0.000 0.231 191 G C -0.282 174.769 174.900 0.252 0.000 0.984 191 G CA -0.376 44.859 45.100 0.226 0.000 0.660 191 G HN 0.192 nan 8.290 nan 0.000 0.525 192 D N -0.103 120.460 120.400 0.272 0.000 2.255 192 D HA 0.515 5.161 4.640 0.010 0.000 0.249 192 D C 0.000 176.472 176.300 0.286 0.000 1.078 192 D CA -0.255 53.928 54.000 0.306 0.000 0.896 192 D CB 1.940 42.934 40.800 0.324 0.000 1.194 192 D HN 0.142 nan 8.370 nan 0.000 0.429 193 L N 3.390 124.727 121.223 0.188 0.000 2.280 193 L HA 0.278 4.624 4.340 0.010 0.000 0.287 193 L C -1.494 175.372 176.870 -0.007 0.000 1.023 193 L CA -0.506 54.370 54.840 0.060 0.000 0.819 193 L CB 0.302 42.268 42.059 -0.155 0.000 1.212 193 L HN 0.204 nan 8.230 nan 0.000 0.420 194 Y N 2.701 122.990 120.300 -0.019 0.000 2.341 194 Y HA 0.649 5.205 4.550 0.010 0.000 0.337 194 Y C 0.641 176.524 175.900 -0.029 0.000 1.014 194 Y CA -0.463 57.621 58.100 -0.026 0.000 1.111 194 Y CB 1.915 40.363 38.460 -0.021 0.000 1.194 194 Y HN 0.668 nan 8.280 nan 0.000 0.462 195 T N 2.375 116.976 114.554 0.078 0.000 2.907 195 T HA 0.883 5.239 4.350 0.010 0.000 0.292 195 T C -1.058 173.648 174.700 0.011 0.000 1.043 195 T CA -0.823 61.305 62.100 0.047 0.000 1.003 195 T CB 1.742 70.641 68.868 0.052 0.000 1.084 195 T HN 0.590 nan 8.240 nan 0.000 0.483 196 L N -1.511 119.680 121.223 -0.054 0.000 2.710 196 L HA 0.961 5.307 4.340 0.010 0.000 0.260 196 L C 0.072 176.684 176.870 -0.430 0.000 0.993 196 L CA -0.014 54.742 54.840 -0.141 0.000 0.877 196 L CB 1.349 43.369 42.059 -0.065 0.000 1.461 196 L HN 1.466 nan 8.230 nan 0.000 0.413 197 G N -0.837 107.644 108.800 -0.532 0.000 2.301 197 G HA2 -0.019 3.948 3.960 0.010 0.000 0.194 197 G HA3 -0.019 3.948 3.960 0.010 0.000 0.194 197 G C -0.730 173.935 174.900 -0.392 0.000 1.266 197 G CA -0.265 44.203 45.100 -1.053 0.000 1.210 197 G HN 1.324 nan 8.290 nan 0.000 0.524 198 C N 1.835 120.961 119.300 -0.290 0.000 2.585 198 C HA 0.642 5.108 4.460 0.010 0.000 0.406 198 C C 1.744 176.693 174.990 -0.068 0.000 1.312 198 C CA 1.380 60.369 59.018 -0.048 0.000 1.924 198 C CB -0.097 27.672 27.740 0.049 0.000 2.578 198 C HN 1.871 nan 8.230 nan 0.000 0.580 199 G N 3.331 112.130 108.800 -0.002 0.000 3.596 199 G HA2 0.102 4.068 3.960 0.010 0.000 0.274 199 G HA3 0.102 4.068 3.960 0.010 0.000 0.274 199 G C 0.973 175.474 174.900 -0.665 0.000 1.007 199 G CA 0.113 45.086 45.100 -0.213 0.000 0.825 199 G HN 0.870 nan 8.290 nan 0.000 0.508 200 E N 0.063 120.101 120.200 -0.269 0.000 2.209 200 E HA -0.129 4.227 4.350 0.010 0.000 0.196 200 E C 1.632 178.090 176.600 -0.237 0.000 0.993 200 E CA 0.876 57.176 56.400 -0.166 0.000 0.819 200 E CB 0.283 29.997 29.700 0.023 0.000 0.745 200 E HN 0.242 nan 8.360 nan 0.000 0.477 201 Q N -1.362 118.224 119.800 -0.358 0.000 2.219 201 Q HA 0.154 4.500 4.340 0.010 0.000 0.209 201 Q C 0.859 176.366 176.000 -0.822 0.000 0.854 201 Q CA 0.667 56.204 55.803 -0.444 0.000 0.960 201 Q CB 1.558 30.149 28.738 -0.245 0.000 1.116 201 Q HN 0.397 nan 8.270 nan 0.000 0.500 202 G N 1.903 110.106 108.800 -0.995 0.000 2.157 202 G HA2 -0.303 3.663 3.960 0.010 0.000 0.248 202 G HA3 -0.303 3.663 3.960 0.010 0.000 0.248 202 G C 0.870 175.549 174.900 -0.369 0.000 0.979 202 G CA 0.578 45.118 45.100 -0.932 0.000 0.650 202 G HN 0.423 nan 8.290 nan 0.000 0.529 203 Q N 0.250 119.834 119.800 -0.360 0.000 2.436 203 Q HA 0.136 4.482 4.340 0.010 0.000 0.209 203 Q C 2.283 178.191 176.000 -0.153 0.000 0.965 203 Q CA 1.221 56.809 55.803 -0.358 0.000 0.910 203 Q CB -0.211 28.034 28.738 -0.821 0.000 0.980 203 Q HN 0.620 nan 8.270 nan 0.000 0.491 204 L N 0.073 121.240 121.223 -0.093 0.000 2.375 204 L HA 0.188 4.534 4.340 0.010 0.000 0.215 204 L C 1.271 178.072 176.870 -0.115 0.000 1.108 204 L CA 0.469 55.307 54.840 -0.003 0.000 0.830 204 L CB -0.452 41.596 42.059 -0.017 0.000 0.959 204 L HN 0.414 nan 8.230 nan 0.000 0.457 205 G N 1.984 110.647 108.800 -0.227 0.000 2.283 205 G HA2 -0.330 3.636 3.960 0.010 0.000 0.280 205 G HA3 -0.330 3.636 3.960 0.010 0.000 0.280 205 G C 0.848 175.487 174.900 -0.434 0.000 1.029 205 G CA 0.974 45.651 45.100 -0.705 0.000 0.840 205 G HN 0.662 nan 8.290 nan 0.000 0.505 206 R N -2.517 117.888 120.500 -0.158 0.000 2.580 206 R HA 0.341 4.687 4.340 0.010 0.000 0.285 206 R C 0.377 176.678 176.300 0.002 0.000 0.947 206 R CA 0.614 56.650 56.100 -0.106 0.000 1.102 206 R CB 0.188 30.398 30.300 -0.149 0.000 1.696 206 R HN 0.703 nan 8.270 nan 0.000 0.506 207 V N 0.409 120.408 119.914 0.141 0.000 2.468 207 V HA 0.356 4.482 4.120 0.010 0.000 0.256 207 V C -1.906 174.298 176.094 0.185 0.000 0.998 207 V CA -1.485 60.875 62.300 0.100 0.000 1.114 207 V CB 0.890 32.726 31.823 0.022 0.000 1.378 207 V HN -0.081 nan 8.190 nan 0.000 0.573 208 P HA -0.285 nan 4.420 nan 0.000 0.215 208 P C 1.660 178.937 177.300 -0.038 0.000 1.157 208 P CA 2.238 65.415 63.100 0.128 0.000 0.874 208 P CB 0.397 32.145 31.700 0.079 0.000 0.790 209 E N 0.029 120.193 120.200 -0.060 0.000 2.200 209 E HA -0.250 4.106 4.350 0.010 0.000 0.211 209 E C 1.854 178.346 176.600 -0.180 0.000 1.048 209 E CA 1.588 57.924 56.400 -0.107 0.000 0.851 209 E CB -0.887 28.762 29.700 -0.085 0.000 0.747 209 E HN 0.154 nan 8.360 nan 0.000 0.462 210 L N -0.392 120.666 121.223 -0.274 0.000 2.492 210 L HA 0.102 4.449 4.340 0.010 0.000 0.223 210 L C 1.249 177.688 176.870 -0.718 0.000 1.132 210 L CA 1.183 55.716 54.840 -0.512 0.000 0.850 210 L CB -0.033 41.627 42.059 -0.666 0.000 0.966 210 L HN 0.149 nan 8.230 nan 0.000 0.454 211 F N -0.662 119.148 119.950 -0.234 0.000 2.706 211 F HA 0.452 4.986 4.527 0.010 0.000 0.308 211 F C 1.414 176.967 175.800 -0.412 0.000 1.095 211 F CA -0.144 57.655 58.000 -0.336 0.000 1.244 211 F CB -0.608 38.079 39.000 -0.521 0.000 1.063 211 F HN -0.040 nan 8.300 nan 0.000 0.582 212 A N 1.787 124.470 122.820 -0.227 0.000 2.489 212 A HA 0.252 4.578 4.320 0.010 0.000 0.289 212 A C 1.143 178.652 177.584 -0.124 0.000 1.216 212 A CA 0.742 52.666 52.037 -0.187 0.000 0.883 212 A CB -0.974 17.937 19.000 -0.149 0.000 1.110 212 A HN 0.612 nan 8.150 nan 0.000 0.523 213 N N 2.104 120.746 118.700 -0.097 0.000 3.797 213 N HA -0.318 4.428 4.740 0.010 0.000 0.211 213 N C 0.300 175.778 175.510 -0.054 0.000 0.241 213 N CA 2.406 55.420 53.050 -0.060 0.000 2.596 213 N CB -1.398 37.056 38.487 -0.055 0.000 1.344 213 N HN 0.812 nan 8.380 nan 0.000 0.365 214 R N 1.207 121.660 120.500 -0.078 0.000 2.416 214 R HA 0.056 4.402 4.340 0.010 0.000 0.278 214 R C 0.658 176.916 176.300 -0.071 0.000 0.954 214 R CA 1.265 57.310 56.100 -0.092 0.000 1.077 214 R CB -0.718 29.496 30.300 -0.143 0.000 0.832 214 R HN 0.562 nan 8.270 nan 0.000 0.432 215 G N 0.152 108.918 108.800 -0.058 0.000 2.377 215 G HA2 0.336 4.302 3.960 0.010 0.000 0.299 215 G HA3 0.336 4.302 3.960 0.010 0.000 0.299 215 G C 1.064 175.909 174.900 -0.092 0.000 1.150 215 G CA -0.201 44.895 45.100 -0.006 0.000 0.847 215 G HN 0.647 nan 8.290 nan 0.000 0.501 216 G N 1.041 109.835 108.800 -0.010 0.000 2.475 216 G HA2 -0.229 3.737 3.960 0.010 0.000 0.220 216 G HA3 -0.229 3.737 3.960 0.010 0.000 0.220 216 G C 1.705 176.564 174.900 -0.069 0.000 1.125 216 G CA 0.441 45.469 45.100 -0.121 0.000 0.755 216 G HN 0.630 nan 8.290 nan 0.000 0.565 217 R N -0.101 120.398 120.500 -0.001 0.000 2.193 217 R HA -0.040 4.306 4.340 0.010 0.000 0.229 217 R C 2.578 178.858 176.300 -0.033 0.000 1.110 217 R CA 1.030 57.130 56.100 0.001 0.000 0.988 217 R CB -0.173 30.141 30.300 0.023 0.000 0.871 217 R HN 0.484 nan 8.270 nan 0.000 0.458 218 Q N -0.730 119.029 119.800 -0.068 0.000 2.369 218 Q HA -0.025 4.321 4.340 0.010 0.000 0.206 218 Q C 1.076 177.022 176.000 -0.091 0.000 0.963 218 Q CA 1.054 56.811 55.803 -0.077 0.000 0.894 218 Q CB 0.474 29.157 28.738 -0.092 0.000 0.965 218 Q HN 0.361 nan 8.270 nan 0.000 0.475 219 G N -0.484 108.246 108.800 -0.117 0.000 4.683 219 G HA2 0.125 4.091 3.960 0.010 0.000 0.273 219 G HA3 0.125 4.091 3.960 0.010 0.000 0.273 219 G C 0.432 175.286 174.900 -0.077 0.000 1.065 219 G CA -0.297 44.736 45.100 -0.110 0.000 0.837 219 G HN 0.090 nan 8.290 nan 0.000 0.526 220 L N 1.381 122.578 121.223 -0.044 0.000 2.081 220 L HA -0.113 4.233 4.340 0.010 0.000 0.212 220 L C 2.823 179.695 176.870 0.004 0.000 1.080 220 L CA 2.426 57.262 54.840 -0.007 0.000 0.754 220 L CB -0.014 42.053 42.059 0.014 0.000 0.893 220 L HN 0.472 nan 8.230 nan 0.000 0.433 221 E N -0.456 119.742 120.200 -0.003 0.000 2.110 221 E HA -0.316 4.040 4.350 0.010 0.000 0.193 221 E C 2.275 178.876 176.600 0.001 0.000 0.988 221 E CA 1.364 57.768 56.400 0.005 0.000 0.804 221 E CB -0.728 28.973 29.700 0.000 0.000 0.745 221 E HN 0.558 nan 8.360 nan 0.000 0.458 222 R N 0.745 121.235 120.500 -0.016 0.000 2.152 222 R HA -0.016 4.330 4.340 0.010 0.000 0.232 222 R C 2.481 178.778 176.300 -0.006 0.000 1.117 222 R CA 0.859 56.948 56.100 -0.019 0.000 0.981 222 R CB -0.094 30.179 30.300 -0.044 0.000 0.870 222 R HN 0.223 nan 8.270 nan 0.000 0.451 223 L N -0.107 121.118 121.223 0.002 0.000 2.270 223 L HA -0.019 4.327 4.340 0.010 0.000 0.210 223 L C 1.849 178.717 176.870 -0.003 0.000 1.104 223 L CA 0.521 55.372 54.840 0.019 0.000 0.804 223 L CB -0.058 42.033 42.059 0.055 0.000 0.937 223 L HN 0.214 nan 8.230 nan 0.000 0.450 224 L N -0.587 120.646 121.223 0.018 0.000 2.509 224 L HA 0.095 4.441 4.340 0.010 0.000 0.222 224 L C 0.491 177.389 176.870 0.046 0.000 1.123 224 L CA -0.164 54.701 54.840 0.043 0.000 0.856 224 L CB 0.190 42.302 42.059 0.088 0.000 0.985 224 L HN -0.033 nan 8.230 nan 0.000 0.456 225 V N 1.054 120.987 119.914 0.032 0.000 2.546 225 V HA 0.207 4.333 4.120 0.010 0.000 0.284 225 V C -2.127 173.997 176.094 0.050 0.000 1.050 225 V CA -1.563 60.759 62.300 0.037 0.000 0.981 225 V CB 1.003 32.844 31.823 0.029 0.000 0.990 225 V HN -0.014 nan 8.190 nan 0.000 0.474 226 P HA 0.272 nan 4.420 nan 0.000 0.270 226 P C -0.681 176.776 177.300 0.262 0.000 1.242 226 P CA 0.079 63.264 63.100 0.142 0.000 0.768 226 P CB 0.268 32.028 31.700 0.099 0.000 0.820 227 K N 2.039 122.542 120.400 0.172 0.000 2.443 227 K HA 0.468 4.794 4.320 0.010 0.000 0.251 227 K C -0.845 175.552 176.600 -0.339 0.000 0.972 227 K CA -0.865 55.425 56.287 0.004 0.000 0.833 227 K CB 2.171 34.646 32.500 -0.042 0.000 1.317 227 K HN 0.331 nan 8.250 nan 0.000 0.441 228 C N 2.088 120.985 119.300 -0.672 0.000 2.527 228 C HA 0.262 4.728 4.460 0.010 0.000 0.396 228 C C 0.388 175.114 174.990 -0.440 0.000 1.289 228 C CA -0.446 58.069 59.018 -0.840 0.000 2.047 228 C CB -0.196 27.015 27.740 -0.881 0.000 2.568 228 C HN 0.479 nan 8.230 nan 0.000 0.573 229 V N 8.927 128.629 119.914 -0.353 0.000 2.446 229 V HA 0.201 4.327 4.120 0.010 0.000 0.276 229 V C 0.383 176.329 176.094 -0.247 0.000 1.030 229 V CA 0.516 62.640 62.300 -0.293 0.000 1.033 229 V CB 0.622 32.258 31.823 -0.312 0.000 0.993 229 V HN 0.770 nan 8.190 nan 0.000 0.477 230 M N 7.258 126.706 119.600 -0.253 0.000 2.044 230 M HA 0.487 4.973 4.480 0.010 0.000 0.333 230 M C -0.856 175.358 176.300 -0.143 0.000 1.004 230 M CA -0.147 54.996 55.300 -0.261 0.000 0.954 230 M CB 1.114 33.560 32.600 -0.258 0.000 1.468 230 M HN 0.415 nan 8.290 nan 0.000 0.414 231 L N 3.566 124.741 121.223 -0.081 0.000 2.343 231 L HA 0.411 4.757 4.340 0.010 0.000 0.278 231 L C 0.404 177.281 176.870 0.011 0.000 0.996 231 L CA -0.751 54.064 54.840 -0.042 0.000 0.831 231 L CB 1.597 43.605 42.059 -0.084 0.000 1.232 231 L HN 0.511 nan 8.230 nan 0.000 0.413 232 K N 1.167 121.579 120.400 0.020 0.000 2.448 232 K HA 0.003 4.329 4.320 0.010 0.000 0.278 232 K C 0.771 177.396 176.600 0.042 0.000 1.009 232 K CA 0.266 56.576 56.287 0.038 0.000 0.995 232 K CB 1.355 33.873 32.500 0.029 0.000 0.917 232 K HN 0.506 nan 8.250 nan 0.000 0.481 233 S N 4.231 119.954 115.700 0.037 0.000 2.743 233 S HA 0.043 4.519 4.470 0.010 0.000 0.230 233 S C -0.699 173.936 174.600 0.058 0.000 0.950 233 S CA -0.297 57.929 58.200 0.043 0.000 0.976 233 S CB -0.328 62.880 63.200 0.014 0.000 0.779 233 S HN 0.624 nan 8.310 nan 0.000 0.487 234 R N -0.051 120.481 120.500 0.054 0.000 1.419 234 R HA -0.150 4.197 4.340 0.010 0.000 0.389 234 R C 0.764 177.090 176.300 0.044 0.000 1.325 234 R CA 0.570 56.700 56.100 0.051 0.000 1.319 234 R CB -1.739 28.598 30.300 0.062 0.000 3.680 234 R HN 0.545 nan 8.270 nan 0.000 0.474 235 G N 2.379 111.199 108.800 0.034 0.000 2.393 235 G HA2 -0.364 3.602 3.960 0.010 0.000 0.299 235 G HA3 -0.364 3.602 3.960 0.010 0.000 0.299 235 G C 0.039 174.956 174.900 0.028 0.000 0.990 235 G CA 0.417 45.534 45.100 0.029 0.000 1.118 235 G HN 0.678 nan 8.290 nan 0.000 0.513 236 S N -0.739 114.976 115.700 0.025 0.000 2.573 236 S HA 0.443 4.919 4.470 0.010 0.000 0.277 236 S C 1.288 175.894 174.600 0.010 0.000 1.346 236 S CA 0.273 58.486 58.200 0.021 0.000 1.034 236 S CB 1.081 64.294 63.200 0.021 0.000 0.879 236 S HN 0.755 nan 8.310 nan 0.000 0.528 237 R N 0.697 121.198 120.500 0.001 0.000 3.310 237 R HA 0.559 4.905 4.340 0.010 0.000 0.214 237 R C 1.802 178.093 176.300 -0.014 0.000 1.680 237 R CA -0.517 55.574 56.100 -0.014 0.000 0.927 237 R CB -0.650 29.629 30.300 -0.034 0.000 2.186 237 R HN 0.611 nan 8.270 nan 0.000 0.538 238 G N 0.760 109.536 108.800 -0.041 0.000 2.707 238 G HA2 -0.081 3.885 3.960 0.010 0.000 0.204 238 G HA3 -0.081 3.885 3.960 0.010 0.000 0.204 238 G C -0.030 174.884 174.900 0.023 0.000 1.435 238 G CA 0.473 45.563 45.100 -0.017 0.000 0.890 238 G HN 0.652 nan 8.290 nan 0.000 0.552 239 H N -1.674 117.370 119.070 -0.043 0.000 2.865 239 H HA 0.574 5.136 4.556 0.010 0.000 0.372 239 H C -1.071 174.185 175.328 -0.121 0.000 1.173 239 H CA -1.034 54.970 56.048 -0.073 0.000 1.147 239 H CB 1.282 31.000 29.762 -0.073 0.000 1.805 239 H HN 0.166 nan 8.280 nan 0.000 0.553 240 V N 2.243 122.122 119.914 -0.059 0.000 2.740 240 V HA 0.161 4.287 4.120 0.010 0.000 0.303 240 V C 0.724 176.517 176.094 -0.500 0.000 1.054 240 V CA 0.103 62.226 62.300 -0.295 0.000 1.106 240 V CB 0.328 31.897 31.823 -0.424 0.000 0.957 240 V HN 0.673 nan 8.190 nan 0.000 0.486 241 R N 2.518 122.673 120.500 -0.575 0.000 2.854 241 R HA 0.694 5.040 4.340 0.010 0.000 0.271 241 R C -1.544 174.144 176.300 -1.019 0.000 0.996 241 R CA -0.598 55.144 56.100 -0.597 0.000 0.961 241 R CB 2.032 32.284 30.300 -0.080 0.000 1.182 241 R HN 0.538 nan 8.270 nan 0.000 0.479 242 F N 0.295 120.016 119.950 -0.380 0.000 2.522 242 F HA 0.221 4.754 4.527 0.009 0.000 0.324 242 F C 1.315 176.844 175.800 -0.452 0.000 1.077 242 F CA -0.709 57.063 58.000 -0.381 0.000 0.944 242 F CB 1.949 40.874 39.000 -0.126 0.000 1.175 242 F HN 0.517 nan 8.300 nan 0.000 0.468 243 Q N -0.597 119.151 119.800 -0.086 0.000 2.396 243 Q HA 0.245 4.591 4.340 0.010 0.000 0.209 243 Q C -0.655 175.452 176.000 0.179 0.000 0.906 243 Q CA 0.438 56.307 55.803 0.110 0.000 0.927 243 Q CB 0.973 29.833 28.738 0.204 0.000 1.069 243 Q HN 0.561 nan 8.270 nan 0.000 0.523 244 D N -0.726 119.762 120.400 0.147 0.000 2.653 244 D HA 0.653 5.299 4.640 0.010 0.000 0.258 244 D C -1.928 174.295 176.300 -0.128 0.000 1.252 244 D CA -0.315 53.692 54.000 0.011 0.000 0.777 244 D CB 2.359 43.215 40.800 0.094 0.000 1.339 244 D HN 0.158 nan 8.370 nan 0.000 0.422 245 A N 1.073 123.603 122.820 -0.482 0.000 2.547 245 A HA 0.747 5.073 4.320 0.010 0.000 0.297 245 A C -1.801 175.382 177.584 -0.667 0.000 1.056 245 A CA -0.561 51.233 52.037 -0.406 0.000 0.688 245 A CB 0.841 19.682 19.000 -0.264 0.000 1.282 245 A HN 0.286 nan 8.150 nan 0.000 0.400 246 F N -0.189 119.746 119.950 -0.024 0.000 2.613 246 F HA 0.692 5.224 4.527 0.008 0.000 0.314 246 F C 0.065 175.842 175.800 -0.038 0.000 1.075 246 F CA -0.688 57.326 58.000 0.024 0.000 0.945 246 F CB 2.098 41.191 39.000 0.156 0.000 1.310 246 F HN 0.643 nan 8.300 nan 0.000 0.467 247 C N 0.712 120.081 119.300 0.116 0.000 2.561 247 C HA 0.875 5.341 4.460 0.010 0.000 0.319 247 C C 0.686 175.582 174.990 -0.156 0.000 1.198 247 C CA -0.711 58.264 59.018 -0.072 0.000 1.665 247 C CB 1.111 28.711 27.740 -0.233 0.000 2.258 247 C HN 1.029 nan 8.230 nan 0.000 0.493 248 G N 0.535 109.020 108.800 -0.524 0.000 2.642 248 G HA2 0.536 4.502 3.960 0.010 0.000 0.291 248 G HA3 0.536 4.502 3.960 0.010 0.000 0.291 248 G C 0.919 175.289 174.900 -0.884 0.000 1.345 248 G CA 0.297 44.823 45.100 -0.957 0.000 1.043 248 G HN 1.000 nan 8.290 nan 0.000 0.528 249 A N -1.216 121.106 122.820 -0.830 0.000 1.883 249 A HA -0.009 4.317 4.320 0.010 0.000 0.217 249 A C 1.377 178.477 177.584 -0.807 0.000 1.186 249 A CA 1.630 53.238 52.037 -0.715 0.000 0.624 249 A CB -0.508 18.092 19.000 -0.665 0.000 0.822 249 A HN 0.593 nan 8.150 nan 0.000 0.444 250 Y N -1.652 118.503 120.300 -0.241 0.000 2.719 250 Y HA 0.433 4.990 4.550 0.011 0.000 0.251 250 Y C -0.400 175.464 175.900 -0.060 0.000 1.159 250 Y CA -1.326 56.739 58.100 -0.059 0.000 1.166 250 Y CB 0.208 38.714 38.460 0.076 0.000 1.219 250 Y HN 0.356 nan 8.280 nan 0.000 0.551 251 F N -3.114 116.766 119.950 -0.117 0.000 2.711 251 F HA 0.880 5.413 4.527 0.010 0.000 0.313 251 F C -0.680 174.892 175.800 -0.380 0.000 1.141 251 F CA -1.635 56.164 58.000 -0.335 0.000 0.941 251 F CB 1.267 40.047 39.000 -0.366 0.000 1.349 251 F HN -0.357 nan 8.300 nan 0.000 0.464 252 T N 1.129 115.342 114.554 -0.569 0.000 2.916 252 T HA 0.639 4.995 4.350 0.010 0.000 0.298 252 T C -1.746 172.339 174.700 -1.025 0.000 1.031 252 T CA -0.434 61.234 62.100 -0.721 0.000 0.993 252 T CB 1.443 69.742 68.868 -0.948 0.000 1.045 252 T HN 0.454 nan 8.240 nan 0.000 0.454 253 F N 1.655 121.332 119.950 -0.456 0.000 2.482 253 F HA 0.749 5.282 4.527 0.011 0.000 0.331 253 F C 0.277 175.853 175.800 -0.373 0.000 1.115 253 F CA -0.767 56.912 58.000 -0.535 0.000 0.955 253 F CB 1.762 40.243 39.000 -0.865 0.000 1.136 253 F HN 0.711 nan 8.300 nan 0.000 0.452 254 A N 4.543 127.296 122.820 -0.112 0.000 2.374 254 A HA 0.830 5.156 4.320 0.010 0.000 0.305 254 A C -1.061 176.656 177.584 0.222 0.000 1.053 254 A CA -0.583 51.410 52.037 -0.073 0.000 0.726 254 A CB 0.859 19.556 19.000 -0.505 0.000 1.229 254 A HN 0.706 nan 8.150 nan 0.000 0.431 255 I N 2.863 123.617 120.570 0.306 0.000 2.330 255 I HA 0.273 4.449 4.170 0.010 0.000 0.289 255 I C 1.034 177.412 176.117 0.435 0.000 1.001 255 I CA -0.356 61.179 61.300 0.392 0.000 1.193 255 I CB 1.763 39.988 38.000 0.374 0.000 1.345 255 I HN 0.783 nan 8.210 nan 0.000 0.461 256 S N 4.585 120.555 115.700 0.451 0.000 2.606 256 S HA 0.103 4.579 4.470 0.010 0.000 0.257 256 S C 1.221 175.843 174.600 0.036 0.000 1.327 256 S CA -0.242 58.048 58.200 0.151 0.000 0.984 256 S CB 0.576 63.903 63.200 0.212 0.000 0.941 256 S HN 0.563 nan 8.310 nan 0.000 0.576 257 H N 0.540 119.619 119.070 0.014 0.000 2.456 257 H HA 0.018 4.580 4.556 0.010 0.000 0.296 257 H C 1.751 177.071 175.328 -0.014 0.000 1.079 257 H CA 1.607 57.660 56.048 0.009 0.000 1.322 257 H CB -0.084 29.660 29.762 -0.029 0.000 1.388 257 H HN 0.691 nan 8.280 nan 0.000 0.538 258 E N -0.359 119.863 120.200 0.037 0.000 2.435 258 E HA 0.009 4.366 4.350 0.010 0.000 0.195 258 E C 1.151 177.639 176.600 -0.186 0.000 1.029 258 E CA 0.619 56.941 56.400 -0.130 0.000 0.865 258 E CB 0.345 29.850 29.700 -0.325 0.000 0.833 258 E HN 0.652 nan 8.360 nan 0.000 0.510 259 G N 1.533 110.308 108.800 -0.041 0.000 2.144 259 G HA2 -0.228 3.738 3.960 0.010 0.000 0.218 259 G HA3 -0.228 3.738 3.960 0.010 0.000 0.218 259 G C -0.139 174.861 174.900 0.167 0.000 0.988 259 G CA 0.090 45.238 45.100 0.080 0.000 0.659 259 G HN 0.417 nan 8.290 nan 0.000 0.522 260 H N -0.488 118.715 119.070 0.221 0.000 2.582 260 H HA 0.462 5.024 4.556 0.010 0.000 0.345 260 H C 0.211 175.639 175.328 0.165 0.000 1.104 260 H CA -0.576 55.564 56.048 0.153 0.000 1.390 260 H CB 1.679 31.478 29.762 0.062 0.000 1.461 260 H HN 0.099 nan 8.280 nan 0.000 0.551 261 V N 4.667 124.687 119.914 0.177 0.000 2.364 261 V HA 0.082 4.208 4.120 0.010 0.000 0.272 261 V C -0.576 175.469 176.094 -0.081 0.000 1.036 261 V CA -0.357 61.950 62.300 0.013 0.000 0.880 261 V CB -0.339 31.307 31.823 -0.295 0.000 0.991 261 V HN 0.607 nan 8.190 nan 0.000 0.460 262 Y N 2.513 122.860 120.300 0.079 0.000 2.387 262 Y HA 0.768 5.324 4.550 0.010 0.000 0.336 262 Y C 0.735 176.622 175.900 -0.023 0.000 1.067 262 Y CA -0.324 57.845 58.100 0.115 0.000 1.114 262 Y CB 2.288 40.913 38.460 0.275 0.000 1.208 262 Y HN 0.714 nan 8.280 nan 0.000 0.458 263 G N 2.051 110.918 108.800 0.111 0.000 2.612 263 G HA2 0.705 4.671 3.960 0.010 0.000 0.298 263 G HA3 0.705 4.671 3.960 0.010 0.000 0.298 263 G C -1.944 172.936 174.900 -0.032 0.000 1.336 263 G CA -0.791 44.151 45.100 -0.263 0.000 0.953 263 G HN 0.469 nan 8.290 nan 0.000 0.482 264 F N -0.761 119.022 119.950 -0.278 0.000 2.641 264 F HA 0.906 5.439 4.527 0.011 0.000 0.308 264 F C 0.440 176.071 175.800 -0.281 0.000 1.105 264 F CA -0.767 57.090 58.000 -0.240 0.000 0.964 264 F CB 1.520 40.406 39.000 -0.190 0.000 1.294 264 F HN 1.542 nan 8.300 nan 0.000 0.442 265 G N 0.781 109.484 108.800 -0.162 0.000 2.342 265 G HA2 0.233 4.199 3.960 0.010 0.000 0.220 265 G HA3 0.233 4.199 3.960 0.010 0.000 0.220 265 G C -2.092 172.672 174.900 -0.228 0.000 1.243 265 G CA -0.692 44.268 45.100 -0.233 0.000 1.083 265 G HN 1.110 nan 8.290 nan 0.000 0.500 266 L N 0.710 121.885 121.223 -0.080 0.000 2.416 266 L HA 0.707 5.053 4.340 0.010 0.000 0.272 266 L C 1.173 177.927 176.870 -0.194 0.000 1.161 266 L CA 1.444 56.232 54.840 -0.085 0.000 0.845 266 L CB 1.634 43.761 42.059 0.114 0.000 1.119 266 L HN 1.104 nan 8.230 nan 0.000 0.464 267 S N 2.197 117.785 115.700 -0.186 0.000 2.949 267 S HA 0.147 4.623 4.470 0.010 0.000 0.246 267 S C 0.771 175.231 174.600 -0.232 0.000 0.899 267 S CA -0.102 57.971 58.200 -0.211 0.000 1.091 267 S CB -0.579 62.501 63.200 -0.200 0.000 1.199 267 S HN 0.886 nan 8.310 nan 0.000 0.507 268 N N 0.822 119.401 118.700 -0.202 0.000 2.453 268 N HA -0.078 4.668 4.740 0.010 0.000 0.183 268 N C 0.333 175.467 175.510 -0.626 0.000 1.041 268 N CA 1.151 53.968 53.050 -0.388 0.000 0.900 268 N CB -0.481 37.784 38.487 -0.370 0.000 0.961 268 N HN 0.601 nan 8.380 nan 0.000 0.443 269 Y N -1.060 119.137 120.300 -0.172 0.000 2.696 269 Y HA 0.260 4.817 4.550 0.010 0.000 0.260 269 Y C -0.211 175.710 175.900 0.034 0.000 1.165 269 Y CA -0.677 57.373 58.100 -0.084 0.000 1.189 269 Y CB -0.483 37.962 38.460 -0.025 0.000 1.180 269 Y HN 0.069 nan 8.280 nan 0.000 0.538 270 H N -1.120 117.964 119.070 0.023 0.000 2.992 270 H HA -0.238 4.324 4.556 0.010 0.000 0.266 270 H C 1.762 177.091 175.328 0.003 0.000 1.200 270 H CA 0.834 56.882 56.048 0.001 0.000 1.135 270 H CB -0.999 28.773 29.762 0.017 0.000 1.282 270 H HN 0.515 nan 8.280 nan 0.000 0.351 271 Q N 0.812 120.635 119.800 0.038 0.000 2.291 271 Q HA -0.059 4.287 4.340 0.010 0.000 0.205 271 Q C 1.828 177.774 176.000 -0.090 0.000 0.970 271 Q CA 1.387 57.166 55.803 -0.039 0.000 0.876 271 Q CB -0.015 28.612 28.738 -0.185 0.000 0.935 271 Q HN 0.700 nan 8.270 nan 0.000 0.455 272 L N 0.151 121.278 121.223 -0.161 0.000 2.492 272 L HA 0.101 4.447 4.340 0.010 0.000 0.223 272 L C 0.868 177.886 176.870 0.246 0.000 1.132 272 L CA 0.769 55.564 54.840 -0.075 0.000 0.850 272 L CB -0.180 41.736 42.059 -0.237 0.000 0.966 272 L HN 0.566 nan 8.230 nan 0.000 0.454 273 G N 0.621 109.537 108.800 0.194 0.000 2.140 273 G HA2 -0.244 3.722 3.960 0.010 0.000 0.211 273 G HA3 -0.244 3.722 3.960 0.010 0.000 0.211 273 G C 0.284 175.263 174.900 0.131 0.000 1.013 273 G CA 0.326 45.540 45.100 0.190 0.000 0.705 273 G HN 0.379 nan 8.290 nan 0.000 0.508 274 T N -2.491 112.132 114.554 0.114 0.000 2.928 274 T HA 0.685 5.041 4.350 0.010 0.000 0.284 274 T C -0.960 173.830 174.700 0.151 0.000 1.008 274 T CA -1.250 60.906 62.100 0.092 0.000 1.057 274 T CB 2.631 71.525 68.868 0.043 0.000 1.018 274 T HN -0.105 nan 8.240 nan 0.000 0.493 275 P HA 0.123 nan 4.420 nan 0.000 0.217 275 P C 0.910 178.335 177.300 0.209 0.000 1.150 275 P CA 0.768 63.938 63.100 0.117 0.000 0.832 275 P CB -0.188 31.544 31.700 0.053 0.000 0.787 276 G N -1.560 107.306 108.800 0.110 0.000 2.531 276 G HA2 0.385 4.351 3.960 0.010 0.000 0.313 276 G HA3 0.385 4.351 3.960 0.010 0.000 0.313 276 G C 0.446 175.256 174.900 -0.149 0.000 1.238 276 G CA 0.066 45.179 45.100 0.022 0.000 0.994 276 G HN 0.089 nan 8.290 nan 0.000 0.493 277 T N -2.207 112.209 114.554 -0.231 0.000 3.044 277 T HA 0.258 4.614 4.350 0.010 0.000 0.260 277 T C 0.281 174.851 174.700 -0.217 0.000 1.019 277 T CA -0.205 61.685 62.100 -0.350 0.000 0.921 277 T CB 0.386 68.987 68.868 -0.445 0.000 1.053 277 T HN 0.294 nan 8.240 nan 0.000 0.533 278 E N 2.544 122.666 120.200 -0.129 0.000 2.383 278 E HA 0.353 4.709 4.350 0.010 0.000 0.264 278 E C -0.101 176.442 176.600 -0.095 0.000 1.050 278 E CA -0.073 56.280 56.400 -0.077 0.000 0.896 278 E CB 1.064 30.757 29.700 -0.013 0.000 0.982 278 E HN 0.260 nan 8.360 nan 0.000 0.424 279 S N 0.992 116.630 115.700 -0.103 0.000 2.562 279 S HA 0.070 4.546 4.470 0.010 0.000 0.281 279 S C -0.132 174.299 174.600 -0.283 0.000 1.333 279 S CA -0.436 57.608 58.200 -0.260 0.000 1.052 279 S CB 0.248 63.203 63.200 -0.407 0.000 0.884 279 S HN 0.424 nan 8.310 nan 0.000 0.506 280 C N 3.985 123.084 119.300 -0.335 0.000 2.239 280 C HA 0.397 4.863 4.460 0.010 0.000 0.323 280 C C 0.937 175.774 174.990 -0.256 0.000 1.205 280 C CA -0.680 58.243 59.018 -0.159 0.000 1.584 280 C CB -1.482 26.220 27.740 -0.063 0.000 2.201 280 C HN 0.944 nan 8.230 nan 0.000 0.475 281 F N 1.638 121.565 119.950 -0.038 0.000 2.743 281 F HA 0.271 4.805 4.527 0.011 0.000 0.297 281 F C 1.107 176.862 175.800 -0.074 0.000 1.131 281 F CA 0.506 58.467 58.000 -0.064 0.000 1.426 281 F CB 0.045 39.024 39.000 -0.034 0.000 1.116 281 F HN 0.380 nan 8.300 nan 0.000 0.583 282 I N 0.449 121.073 120.570 0.090 0.000 2.530 282 I HA 0.317 4.493 4.170 0.010 0.000 0.297 282 I C -2.524 173.596 176.117 0.006 0.000 1.011 282 I CA -2.606 58.690 61.300 -0.007 0.000 1.107 282 I CB 1.416 39.440 38.000 0.040 0.000 1.285 282 I HN -0.367 nan 8.210 nan 0.000 0.436 283 P HA 0.040 nan 4.420 nan 0.000 0.263 283 P C -0.862 176.615 177.300 0.294 0.000 1.195 283 P CA 0.034 63.238 63.100 0.173 0.000 0.762 283 P CB 0.369 32.093 31.700 0.039 0.000 0.799 284 Q N 2.540 122.524 119.800 0.305 0.000 2.271 284 Q HA 0.227 4.573 4.340 0.010 0.000 0.258 284 Q C -0.074 176.000 176.000 0.123 0.000 0.936 284 Q CA -0.576 55.343 55.803 0.193 0.000 0.909 284 Q CB 1.148 29.947 28.738 0.101 0.000 1.253 284 Q HN 0.295 nan 8.270 nan 0.000 0.440 285 N N 3.522 122.195 118.700 -0.045 0.000 2.421 285 N HA 0.092 4.838 4.740 0.010 0.000 0.260 285 N C -0.823 174.578 175.510 -0.181 0.000 1.173 285 N CA 0.018 52.810 53.050 -0.429 0.000 0.960 285 N CB 0.149 38.370 38.487 -0.443 0.000 1.273 285 N HN 0.473 nan 8.380 nan 0.000 0.497 286 L N 3.220 124.382 121.223 -0.102 0.000 2.433 286 L HA 0.094 4.440 4.340 0.010 0.000 0.284 286 L C 1.893 178.822 176.870 0.098 0.000 1.120 286 L CA -0.312 54.574 54.840 0.077 0.000 0.879 286 L CB 0.111 42.322 42.059 0.253 0.000 1.232 286 L HN 0.518 nan 8.230 nan 0.000 0.454 287 T N -3.192 111.388 114.554 0.044 0.000 3.072 287 T HA -0.120 4.236 4.350 0.010 0.000 0.266 287 T C 1.759 176.484 174.700 0.042 0.000 1.127 287 T CA 0.804 62.925 62.100 0.034 0.000 1.107 287 T CB -0.073 68.798 68.868 0.005 0.000 0.910 287 T HN 0.666 nan 8.240 nan 0.000 0.513 288 S N 0.298 116.013 115.700 0.024 0.000 2.481 288 S HA 0.097 4.573 4.470 0.010 0.000 0.231 288 S C 1.292 175.750 174.600 -0.236 0.000 0.996 288 S CA 0.027 58.161 58.200 -0.111 0.000 0.942 288 S CB -0.843 62.243 63.200 -0.190 0.000 0.768 288 S HN 0.517 nan 8.310 nan 0.000 0.520 289 F N 1.460 121.386 119.950 -0.040 0.000 2.749 289 F HA 0.393 4.925 4.527 0.009 0.000 0.300 289 F C 0.967 176.918 175.800 0.251 0.000 1.103 289 F CA -0.313 57.673 58.000 -0.024 0.000 1.342 289 F CB 0.104 38.936 39.000 -0.280 0.000 1.098 289 F HN -0.048 nan 8.300 nan 0.000 0.586 290 K N 2.258 122.826 120.400 0.280 0.000 2.378 290 K HA 0.103 4.429 4.320 0.010 0.000 0.288 290 K C -0.300 176.414 176.600 0.189 0.000 1.057 290 K CA 0.137 56.566 56.287 0.237 0.000 0.971 290 K CB 0.091 32.672 32.500 0.135 0.000 0.975 290 K HN -0.005 nan 8.250 nan 0.000 0.475 291 N N 1.290 120.106 118.700 0.193 0.000 2.554 291 N HA 0.012 4.758 4.740 0.010 0.000 0.271 291 N C -0.212 175.336 175.510 0.065 0.000 1.081 291 N CA -0.235 52.881 53.050 0.110 0.000 0.994 291 N CB 1.683 40.234 38.487 0.107 0.000 1.641 291 N HN 0.264 nan 8.380 nan 0.000 0.511 292 S N 0.754 116.480 115.700 0.043 0.000 2.440 292 S HA -0.113 4.363 4.470 0.010 0.000 0.238 292 S C 1.570 176.164 174.600 -0.010 0.000 1.010 292 S CA 1.835 60.049 58.200 0.023 0.000 0.972 292 S CB -0.137 63.076 63.200 0.023 0.000 0.774 292 S HN 0.813 nan 8.310 nan 0.000 0.501 293 T N -1.262 113.275 114.554 -0.029 0.000 3.054 293 T HA 0.322 4.678 4.350 0.010 0.000 0.255 293 T C 0.084 174.709 174.700 -0.126 0.000 1.035 293 T CA -0.363 61.703 62.100 -0.056 0.000 0.941 293 T CB 0.049 68.896 68.868 -0.034 0.000 1.026 293 T HN 0.089 nan 8.240 nan 0.000 0.533 294 K N 1.317 121.600 120.400 -0.195 0.000 2.463 294 K HA 0.577 4.903 4.320 0.010 0.000 0.255 294 K C -1.189 175.075 176.600 -0.559 0.000 0.942 294 K CA -0.483 55.525 56.287 -0.465 0.000 0.814 294 K CB 2.138 34.237 32.500 -0.668 0.000 1.122 294 K HN 0.027 nan 8.250 nan 0.000 0.425 295 S N 3.064 118.438 115.700 -0.544 0.000 2.474 295 S HA 0.368 4.844 4.470 0.010 0.000 0.321 295 S C -1.214 173.130 174.600 -0.427 0.000 1.080 295 S CA -0.804 57.179 58.200 -0.361 0.000 1.106 295 S CB 0.290 63.406 63.200 -0.140 0.000 0.984 295 S HN 0.436 nan 8.310 nan 0.000 0.464 296 W N 4.335 125.672 121.300 0.062 0.000 2.311 296 W HA 0.391 5.057 4.660 0.010 0.000 0.310 296 W C 1.192 177.753 176.519 0.070 0.000 1.274 296 W CA -0.659 56.695 57.345 0.014 0.000 1.215 296 W CB 1.001 30.529 29.460 0.114 0.000 1.227 296 W HN 0.532 nan 8.180 nan 0.000 0.523 297 V N 1.133 121.150 119.914 0.172 0.000 3.485 297 V HA 0.622 4.748 4.120 0.010 0.000 0.280 297 V C 0.392 176.542 176.094 0.093 0.000 1.495 297 V CA 0.248 62.659 62.300 0.186 0.000 1.018 297 V CB 0.215 32.106 31.823 0.114 0.000 0.818 297 V HN 0.542 nan 8.190 nan 0.000 0.436 298 G N -0.136 108.499 108.800 -0.276 0.000 2.753 298 G HA2 0.677 4.643 3.960 0.010 0.000 0.297 298 G HA3 0.677 4.643 3.960 0.010 0.000 0.297 298 G C -1.901 172.401 174.900 -0.997 0.000 1.430 298 G CA -0.508 44.238 45.100 -0.591 0.000 1.040 298 G HN 0.082 nan 8.290 nan 0.000 0.530 299 F N 0.920 120.182 119.950 -1.146 0.000 2.588 299 F HA 0.797 5.330 4.527 0.011 0.000 0.310 299 F C 0.451 176.079 175.800 -0.287 0.000 1.082 299 F CA -0.525 57.057 58.000 -0.697 0.000 0.929 299 F CB 3.009 41.530 39.000 -0.798 0.000 1.254 299 F HN 0.721 nan 8.300 nan 0.000 0.455 300 S N 0.612 116.349 115.700 0.062 0.000 2.625 300 S HA 0.984 5.460 4.470 0.010 0.000 0.271 300 S C -0.937 173.731 174.600 0.113 0.000 1.161 300 S CA -0.636 57.613 58.200 0.083 0.000 0.820 300 S CB 1.979 65.196 63.200 0.028 0.000 1.137 300 S HN 1.326 nan 8.310 nan 0.000 0.470 301 G N -0.765 108.034 108.800 -0.000 0.000 2.691 301 G HA2 0.632 4.598 3.960 0.010 0.000 0.298 301 G HA3 0.632 4.598 3.960 0.010 0.000 0.298 301 G C -0.190 174.610 174.900 -0.167 0.000 1.471 301 G CA -0.100 44.996 45.100 -0.007 0.000 0.912 301 G HN 1.082 nan 8.290 nan 0.000 0.553 302 G N -0.554 108.104 108.800 -0.236 0.000 2.630 302 G HA2 0.433 4.400 3.960 0.010 0.000 0.223 302 G HA3 0.433 4.400 3.960 0.010 0.000 0.223 302 G C 0.957 175.918 174.900 0.102 0.000 1.434 302 G CA 0.128 45.215 45.100 -0.022 0.000 1.057 302 G HN 0.668 nan 8.290 nan 0.000 0.570 303 Q N -1.074 118.780 119.800 0.090 0.000 2.030 303 Q HA -0.098 4.248 4.340 0.010 0.000 0.204 303 Q C 1.477 177.625 176.000 0.245 0.000 0.986 303 Q CA 1.833 57.675 55.803 0.065 0.000 0.843 303 Q CB -0.103 28.411 28.738 -0.372 0.000 0.904 303 Q HN 0.754 nan 8.270 nan 0.000 0.420 304 H N -1.203 118.107 119.070 0.399 0.000 2.785 304 H HA 0.174 4.736 4.556 0.010 0.000 0.268 304 H C -0.399 175.100 175.328 0.285 0.000 1.153 304 H CA -0.453 55.765 56.048 0.283 0.000 1.111 304 H CB 0.553 30.314 29.762 -0.002 0.000 1.633 304 H HN 0.275 nan 8.280 nan 0.000 0.576 305 H N -1.363 117.870 119.070 0.271 0.000 3.016 305 H HA 0.516 5.078 4.556 0.010 0.000 0.362 305 H C -1.424 174.101 175.328 0.328 0.000 1.233 305 H CA -0.962 55.220 56.048 0.223 0.000 1.124 305 H CB 1.655 31.508 29.762 0.152 0.000 1.850 305 H HN -0.098 nan 8.280 nan 0.000 0.549 306 T N 1.754 116.408 114.554 0.167 0.000 2.861 306 T HA 0.468 4.824 4.350 0.010 0.000 0.287 306 T C -0.700 174.100 174.700 0.167 0.000 1.003 306 T CA -0.599 61.614 62.100 0.189 0.000 0.977 306 T CB 1.634 70.708 68.868 0.344 0.000 0.996 306 T HN 0.439 nan 8.240 nan 0.000 0.448 307 V N 3.046 123.034 119.914 0.124 0.000 2.483 307 V HA 0.603 4.729 4.120 0.010 0.000 0.297 307 V C 0.177 176.285 176.094 0.023 0.000 1.027 307 V CA -0.834 61.565 62.300 0.165 0.000 0.855 307 V CB 0.940 32.924 31.823 0.269 0.000 0.995 307 V HN 1.225 nan 8.190 nan 0.000 0.424 308 C N 4.076 123.362 119.300 -0.022 0.000 3.108 308 C HA 1.015 5.481 4.460 0.010 0.000 0.321 308 C C -0.446 174.540 174.990 -0.007 0.000 1.357 308 C CA -1.001 57.833 59.018 -0.306 0.000 1.562 308 C CB 1.635 28.875 27.740 -0.833 0.000 2.003 308 C HN 1.019 nan 8.230 nan 0.000 0.460 309 M N 1.089 120.648 119.600 -0.069 0.000 2.520 309 M HA 0.702 5.188 4.480 0.010 0.000 0.283 309 M C -1.635 174.736 176.300 0.119 0.000 1.237 309 M CA -0.248 55.146 55.300 0.156 0.000 0.885 309 M CB 2.105 34.736 32.600 0.052 0.000 1.727 309 M HN 0.852 nan 8.290 nan 0.000 0.468 310 D N 0.996 121.435 120.400 0.064 0.000 2.549 310 D HA 0.433 5.079 4.640 0.010 0.000 0.270 310 D C 0.565 176.805 176.300 -0.101 0.000 1.181 310 D CA -0.292 53.582 54.000 -0.210 0.000 1.070 310 D CB 0.797 41.299 40.800 -0.496 0.000 1.154 310 D HN 0.749 nan 8.370 nan 0.000 0.602 311 S N -2.085 113.533 115.700 -0.136 0.000 2.603 311 S HA 0.037 4.513 4.470 0.010 0.000 0.220 311 S C 0.476 175.046 174.600 -0.052 0.000 0.967 311 S CA -0.067 58.094 58.200 -0.064 0.000 0.920 311 S CB -0.559 62.607 63.200 -0.057 0.000 0.773 311 S HN 0.541 nan 8.310 nan 0.000 0.529 312 E N 0.630 120.794 120.200 -0.060 0.000 2.651 312 E HA 0.383 4.739 4.350 0.010 0.000 0.208 312 E C 0.739 177.317 176.600 -0.037 0.000 0.997 312 E CA -0.050 56.322 56.400 -0.046 0.000 1.020 312 E CB 0.462 30.129 29.700 -0.055 0.000 1.052 312 E HN 0.560 nan 8.360 nan 0.000 0.465 313 G N 1.983 110.767 108.800 -0.027 0.000 2.136 313 G HA2 -0.304 3.662 3.960 0.010 0.000 0.242 313 G HA3 -0.304 3.662 3.960 0.010 0.000 0.242 313 G C -0.026 174.845 174.900 -0.049 0.000 0.989 313 G CA 0.046 45.129 45.100 -0.028 0.000 0.682 313 G HN 0.145 nan 8.290 nan 0.000 0.522 314 K N 0.167 120.544 120.400 -0.038 0.000 2.182 314 K HA 0.750 5.076 4.320 0.010 0.000 0.262 314 K C 0.186 176.743 176.600 -0.071 0.000 0.957 314 K CA 0.020 56.232 56.287 -0.125 0.000 0.842 314 K CB 1.975 34.371 32.500 -0.173 0.000 1.099 314 K HN 0.492 nan 8.250 nan 0.000 0.438 315 A N 2.808 125.505 122.820 -0.204 0.000 2.337 315 A HA 0.698 5.024 4.320 0.010 0.000 0.329 315 A C -1.500 175.944 177.584 -0.234 0.000 1.146 315 A CA -0.524 51.487 52.037 -0.043 0.000 0.800 315 A CB 0.445 19.454 19.000 0.015 0.000 1.220 315 A HN 0.624 nan 8.150 nan 0.000 0.472 316 Y N 0.189 120.522 120.300 0.054 0.000 2.576 316 Y HA 0.661 5.217 4.550 0.010 0.000 0.346 316 Y C 0.577 176.499 175.900 0.037 0.000 1.018 316 Y CA -0.527 57.597 58.100 0.040 0.000 1.050 316 Y CB 2.440 40.964 38.460 0.105 0.000 1.280 316 Y HN 0.846 nan 8.280 nan 0.000 0.474 317 S N 2.357 118.164 115.700 0.178 0.000 2.627 317 S HA 0.979 5.455 4.470 0.010 0.000 0.283 317 S C -1.304 173.369 174.600 0.121 0.000 1.127 317 S CA -0.854 57.447 58.200 0.168 0.000 0.863 317 S CB 2.129 65.439 63.200 0.184 0.000 1.121 317 S HN 0.866 nan 8.310 nan 0.000 0.479 318 L N -2.270 119.041 121.223 0.146 0.000 2.671 318 L HA 0.957 5.303 4.340 0.010 0.000 0.259 318 L C 0.113 177.086 176.870 0.172 0.000 1.021 318 L CA -0.460 54.450 54.840 0.116 0.000 0.871 318 L CB 1.120 43.218 42.059 0.065 0.000 1.472 318 L HN 1.541 nan 8.230 nan 0.000 0.410 319 G N 0.627 109.524 108.800 0.162 0.000 2.428 319 G HA2 -0.128 3.838 3.960 0.010 0.000 0.202 319 G HA3 -0.128 3.838 3.960 0.010 0.000 0.202 319 G C -0.911 174.093 174.900 0.175 0.000 1.247 319 G CA -0.175 45.050 45.100 0.209 0.000 1.020 319 G HN 1.016 nan 8.290 nan 0.000 0.529 320 R N 0.667 121.245 120.500 0.130 0.000 2.570 320 R HA 0.453 4.799 4.340 0.010 0.000 0.277 320 R C 1.464 177.717 176.300 -0.079 0.000 1.039 320 R CA 1.024 57.083 56.100 -0.068 0.000 1.065 320 R CB 0.452 30.477 30.300 -0.459 0.000 0.964 320 R HN 1.240 nan 8.270 nan 0.000 0.428 321 A N 4.036 126.808 122.820 -0.080 0.000 2.220 321 A HA 0.062 4.388 4.320 0.010 0.000 0.211 321 A C 0.096 177.524 177.584 -0.260 0.000 1.176 321 A CA -0.002 51.984 52.037 -0.085 0.000 0.834 321 A CB 0.075 19.118 19.000 0.072 0.000 0.868 321 A HN 0.828 nan 8.150 nan 0.000 0.488 322 E N -0.387 119.626 120.200 -0.312 0.000 2.452 322 E HA 0.152 4.508 4.350 0.010 0.000 0.261 322 E C -0.488 175.699 176.600 -0.689 0.000 0.987 322 E CA 0.088 56.193 56.400 -0.493 0.000 0.926 322 E CB -0.045 29.265 29.700 -0.651 0.000 0.934 322 E HN 0.404 nan 8.360 nan 0.000 0.452 323 Y N 0.951 120.969 120.300 -0.470 0.000 4.841 323 Y HA -0.264 4.292 4.550 0.010 0.000 0.242 323 Y C 1.127 176.314 175.900 -1.189 0.000 1.002 323 Y CA 1.006 58.753 58.100 -0.588 0.000 2.011 323 Y CB -2.188 36.098 38.460 -0.290 0.000 1.554 323 Y HN 0.888 nan 8.280 nan 0.000 0.618 324 G N -0.202 107.482 108.800 -1.859 0.000 2.141 324 G HA2 -0.390 3.576 3.960 0.010 0.000 0.242 324 G HA3 -0.390 3.576 3.960 0.010 0.000 0.242 324 G C 1.138 175.760 174.900 -0.462 0.000 0.982 324 G CA 0.573 44.797 45.100 -1.460 0.000 0.662 324 G HN 0.815 nan 8.290 nan 0.000 0.527 325 R N 0.102 120.366 120.500 -0.392 0.000 2.285 325 R HA 0.218 4.564 4.340 0.010 0.000 0.213 325 R C 2.016 178.383 176.300 0.112 0.000 1.068 325 R CA 1.308 57.280 56.100 -0.214 0.000 1.004 325 R CB -0.336 29.588 30.300 -0.627 0.000 0.873 325 R HN 0.461 nan 8.270 nan 0.000 0.467 326 L N 0.516 121.758 121.223 0.032 0.000 2.418 326 L HA 0.201 4.547 4.340 0.010 0.000 0.218 326 L C 1.243 178.007 176.870 -0.176 0.000 1.125 326 L CA 0.645 55.533 54.840 0.080 0.000 0.835 326 L CB -0.278 41.799 42.059 0.030 0.000 0.953 326 L HN 0.572 nan 8.230 nan 0.000 0.454 327 G N 0.773 109.348 108.800 -0.374 0.000 2.203 327 G HA2 -0.293 3.673 3.960 0.010 0.000 0.263 327 G HA3 -0.293 3.673 3.960 0.010 0.000 0.263 327 G C 0.660 175.283 174.900 -0.461 0.000 1.012 327 G CA 0.389 44.982 45.100 -0.845 0.000 0.749 327 G HN 0.382 nan 8.290 nan 0.000 0.512 328 L N -0.106 121.001 121.223 -0.194 0.000 2.607 328 L HA 0.496 4.842 4.340 0.010 0.000 0.228 328 L C 1.503 178.359 176.870 -0.024 0.000 1.123 328 L CA 0.434 55.207 54.840 -0.111 0.000 0.890 328 L CB -0.237 41.791 42.059 -0.051 0.000 1.103 328 L HN 1.038 nan 8.230 nan 0.000 0.468 329 G N 0.184 109.014 108.800 0.049 0.000 2.555 329 G HA2 -0.128 3.838 3.960 0.010 0.000 0.686 329 G HA3 -0.128 3.838 3.960 0.010 0.000 0.686 329 G C -0.698 174.310 174.900 0.179 0.000 1.275 329 G CA -1.062 44.093 45.100 0.092 0.000 0.871 329 G HN 0.011 nan 8.290 nan 0.000 0.603 330 E N 0.122 120.350 120.200 0.046 0.000 2.437 330 E HA 0.377 4.733 4.350 0.010 0.000 0.263 330 E C 1.477 177.949 176.600 -0.213 0.000 1.030 330 E CA 1.237 57.511 56.400 -0.211 0.000 0.934 330 E CB 0.531 30.076 29.700 -0.259 0.000 0.943 330 E HN 2.342 nan 8.360 nan 0.000 0.444 331 G N 1.352 109.885 108.800 -0.445 0.000 2.155 331 G HA2 -0.318 3.648 3.960 0.010 0.000 0.257 331 G HA3 -0.318 3.648 3.960 0.010 0.000 0.257 331 G C 0.531 175.421 174.900 -0.018 0.000 0.983 331 G CA 0.339 45.295 45.100 -0.240 0.000 0.676 331 G HN 0.841 nan 8.290 nan 0.000 0.528 332 A N -0.439 122.471 122.820 0.151 0.000 2.520 332 A HA 0.548 4.875 4.320 0.010 0.000 0.235 332 A C 0.550 178.243 177.584 0.182 0.000 1.065 332 A CA 0.877 53.023 52.037 0.182 0.000 0.764 332 A CB 0.296 19.439 19.000 0.238 0.000 1.002 332 A HN 0.600 nan 8.150 nan 0.000 0.502 333 E N 0.279 120.539 120.200 0.100 0.000 2.281 333 E HA 0.315 4.671 4.350 0.010 0.000 0.262 333 E C -0.616 176.023 176.600 0.065 0.000 0.933 333 E CA -0.894 55.555 56.400 0.081 0.000 0.809 333 E CB 1.304 31.030 29.700 0.044 0.000 1.242 333 E HN 0.810 nan 8.360 nan 0.000 0.418 334 E N 1.447 121.688 120.200 0.067 0.000 2.568 334 E HA -0.102 4.254 4.350 0.010 0.000 0.262 334 E C -0.821 175.795 176.600 0.026 0.000 0.961 334 E CA 0.505 56.951 56.400 0.076 0.000 0.945 334 E CB 0.443 30.221 29.700 0.130 0.000 0.924 334 E HN 0.079 nan 8.360 nan 0.000 0.467 335 K N 1.903 122.323 120.400 0.034 0.000 2.259 335 K HA 0.210 4.537 4.320 0.010 0.000 0.252 335 K C -0.160 176.422 176.600 -0.030 0.000 0.936 335 K CA -0.503 55.775 56.287 -0.014 0.000 0.810 335 K CB 1.958 34.463 32.500 0.009 0.000 1.143 335 K HN 0.523 nan 8.250 nan 0.000 0.427 336 S N 0.103 115.734 115.700 -0.114 0.000 2.629 336 S HA 0.266 4.742 4.470 0.010 0.000 0.236 336 S C 0.615 175.162 174.600 -0.089 0.000 1.010 336 S CA -0.515 57.627 58.200 -0.097 0.000 0.981 336 S CB -0.643 62.385 63.200 -0.287 0.000 0.919 336 S HN 0.590 nan 8.310 nan 0.000 0.514 337 I N -1.827 118.671 120.570 -0.121 0.000 2.686 337 I HA 0.626 4.802 4.170 0.010 0.000 0.295 337 I C -3.082 172.903 176.117 -0.220 0.000 1.114 337 I CA -3.040 58.132 61.300 -0.213 0.000 1.038 337 I CB 2.128 40.025 38.000 -0.171 0.000 1.238 337 I HN -0.288 nan 8.210 nan 0.000 0.420 338 P HA 0.030 nan 4.420 nan 0.000 0.258 338 P C -0.560 176.759 177.300 0.032 0.000 1.187 338 P CA 0.434 63.365 63.100 -0.282 0.000 0.767 338 P CB 0.340 31.595 31.700 -0.742 0.000 0.770 339 T N 4.753 119.394 114.554 0.145 0.000 2.786 339 T HA 0.244 4.600 4.350 0.010 0.000 0.283 339 T C 0.201 174.982 174.700 0.135 0.000 0.992 339 T CA -0.640 61.545 62.100 0.142 0.000 0.954 339 T CB 0.804 69.695 68.868 0.039 0.000 0.934 339 T HN 0.219 nan 8.240 nan 0.000 0.440 340 L N 4.578 125.838 121.223 0.061 0.000 2.559 340 L HA 0.225 4.571 4.340 0.010 0.000 0.274 340 L C -0.248 176.462 176.870 -0.266 0.000 1.205 340 L CA 0.418 55.069 54.840 -0.314 0.000 0.907 340 L CB -0.140 41.751 42.059 -0.281 0.000 1.153 340 L HN 0.603 nan 8.230 nan 0.000 0.490 341 I N 5.488 125.844 120.570 -0.357 0.000 2.256 341 I HA 0.070 4.246 4.170 0.010 0.000 0.294 341 I C 1.394 177.320 176.117 -0.317 0.000 1.127 341 I CA 0.096 61.193 61.300 -0.338 0.000 1.247 341 I CB 0.319 38.061 38.000 -0.430 0.000 1.460 341 I HN 0.892 nan 8.210 nan 0.000 0.511 342 S N 5.102 120.655 115.700 -0.246 0.000 2.402 342 S HA -0.111 4.365 4.470 0.010 0.000 0.229 342 S C 1.437 175.916 174.600 -0.202 0.000 1.021 342 S CA 0.569 58.646 58.200 -0.205 0.000 0.974 342 S CB -0.174 62.938 63.200 -0.147 0.000 0.800 342 S HN 0.623 nan 8.310 nan 0.000 0.484 343 R N 1.288 121.661 120.500 -0.213 0.000 4.779 343 R HA 0.459 4.805 4.340 0.010 0.000 0.217 343 R C -0.896 175.236 176.300 -0.279 0.000 1.934 343 R CA 0.037 56.023 56.100 -0.190 0.000 1.623 343 R CB -0.514 29.702 30.300 -0.141 0.000 1.364 343 R HN 0.411 nan 8.270 nan 0.000 0.799 344 L N -0.001 121.028 121.223 -0.322 0.000 2.409 344 L HA 0.513 4.859 4.340 0.010 0.000 0.262 344 L C -2.136 174.528 176.870 -0.343 0.000 0.992 344 L CA -2.460 52.098 54.840 -0.471 0.000 0.817 344 L CB 2.190 44.006 42.059 -0.406 0.000 1.350 344 L HN 0.032 nan 8.230 nan 0.000 0.411 345 P HA 0.143 nan 4.420 nan 0.000 0.274 345 P C -0.770 176.444 177.300 -0.144 0.000 1.264 345 P CA -0.477 62.512 63.100 -0.185 0.000 0.795 345 P CB 0.370 31.998 31.700 -0.119 0.000 1.064 346 A N 0.178 122.951 122.820 -0.080 0.000 2.520 346 A HA 0.270 4.596 4.320 0.010 0.000 0.245 346 A C -0.083 177.478 177.584 -0.038 0.000 1.072 346 A CA -0.080 51.922 52.037 -0.058 0.000 0.761 346 A CB -0.502 18.478 19.000 -0.033 0.000 1.004 346 A HN 0.301 nan 8.150 nan 0.000 0.499 347 V N 3.152 123.046 119.914 -0.033 0.000 2.481 347 V HA 0.328 4.454 4.120 0.010 0.000 0.286 347 V C 1.271 177.378 176.094 0.022 0.000 1.042 347 V CA 0.560 62.861 62.300 0.002 0.000 0.928 347 V CB 1.446 33.272 31.823 0.005 0.000 0.986 347 V HN 1.185 nan 8.190 nan 0.000 0.462 348 S N 1.879 117.605 115.700 0.043 0.000 2.527 348 S HA 0.209 4.685 4.470 0.010 0.000 0.227 348 S C 0.615 175.249 174.600 0.057 0.000 1.059 348 S CA 0.361 58.589 58.200 0.046 0.000 0.919 348 S CB 0.324 63.554 63.200 0.049 0.000 0.805 348 S HN 0.973 nan 8.310 nan 0.000 0.500 349 S N 0.392 116.133 115.700 0.068 0.000 2.596 349 S HA 0.755 5.231 4.470 0.010 0.000 0.270 349 S C -0.982 173.668 174.600 0.083 0.000 1.155 349 S CA -0.360 57.881 58.200 0.069 0.000 0.827 349 S CB 1.515 64.756 63.200 0.069 0.000 1.130 349 S HN 1.101 nan 8.310 nan 0.000 0.467 350 V N -1.839 118.118 119.914 0.071 0.000 2.914 350 V HA 1.076 5.203 4.120 0.010 0.000 0.314 350 V C -0.180 175.953 176.094 0.065 0.000 1.084 350 V CA -0.522 61.834 62.300 0.092 0.000 0.963 350 V CB 0.869 32.748 31.823 0.093 0.000 1.025 350 V HN 1.907 nan 8.190 nan 0.000 0.432 351 A N 1.447 124.314 122.820 0.078 0.000 2.587 351 A HA 0.904 5.230 4.320 0.010 0.000 0.293 351 A C -0.915 176.714 177.584 0.075 0.000 1.087 351 A CA -0.435 51.633 52.037 0.052 0.000 0.692 351 A CB 1.728 20.728 19.000 0.001 0.000 1.291 351 A HN 1.267 nan 8.150 nan 0.000 0.407 352 C N -0.172 119.151 119.300 0.038 0.000 2.707 352 C HA 0.931 5.397 4.460 0.010 0.000 0.313 352 C C 1.036 176.059 174.990 0.055 0.000 1.209 352 C CA 0.134 59.176 59.018 0.040 0.000 1.635 352 C CB 1.558 29.233 27.740 -0.109 0.000 2.206 352 C HN 1.289 nan 8.230 nan 0.000 0.485 353 G N 0.258 109.125 108.800 0.111 0.000 2.938 353 G HA2 0.562 4.528 3.960 0.010 0.000 0.258 353 G HA3 0.562 4.528 3.960 0.010 0.000 0.258 353 G C 0.893 175.842 174.900 0.081 0.000 1.356 353 G CA 0.326 45.461 45.100 0.057 0.000 1.052 353 G HN 1.007 nan 8.290 nan 0.000 0.550 354 A N -0.531 122.317 122.820 0.048 0.000 1.873 354 A HA 0.043 4.369 4.320 0.010 0.000 0.218 354 A C 1.877 179.536 177.584 0.126 0.000 1.193 354 A CA 2.582 54.655 52.037 0.059 0.000 0.629 354 A CB -0.473 18.551 19.000 0.040 0.000 0.826 354 A HN 0.742 nan 8.150 nan 0.000 0.447 355 S N -1.650 114.090 115.700 0.066 0.000 2.941 355 S HA 0.440 4.916 4.470 0.010 0.000 0.251 355 S C -0.319 174.172 174.600 -0.182 0.000 1.029 355 S CA 0.146 58.323 58.200 -0.039 0.000 1.062 355 S CB 0.351 63.552 63.200 0.002 0.000 0.977 355 S HN 0.822 nan 8.310 nan 0.000 0.552 356 V N -2.089 117.754 119.914 -0.119 0.000 3.130 356 V HA 1.074 5.200 4.120 0.010 0.000 0.310 356 V C -0.162 175.725 176.094 -0.346 0.000 1.158 356 V CA -0.839 61.264 62.300 -0.328 0.000 1.029 356 V CB 1.501 33.121 31.823 -0.338 0.000 1.057 356 V HN 0.204 nan 8.190 nan 0.000 0.436 357 G N 0.090 108.284 108.800 -1.011 0.000 2.620 357 G HA2 0.765 4.731 3.960 0.010 0.000 0.301 357 G HA3 0.765 4.731 3.960 0.010 0.000 0.301 357 G C -2.218 171.387 174.900 -2.158 0.000 1.347 357 G CA -0.694 43.677 45.100 -1.214 0.000 0.971 357 G HN 0.748 nan 8.290 nan 0.000 0.488 358 Y N -0.518 119.146 120.300 -1.059 0.000 2.581 358 Y HA 0.737 5.293 4.550 0.010 0.000 0.345 358 Y C 0.198 176.009 175.900 -0.149 0.000 1.036 358 Y CA -0.844 56.882 58.100 -0.623 0.000 1.042 358 Y CB 2.909 41.204 38.460 -0.274 0.000 1.289 358 Y HN 0.854 nan 8.280 nan 0.000 0.471 359 A N 1.339 124.349 122.820 0.317 0.000 2.402 359 A HA 0.715 5.041 4.320 0.010 0.000 0.291 359 A C -1.812 175.946 177.584 0.289 0.000 1.051 359 A CA -0.659 51.574 52.037 0.328 0.000 0.716 359 A CB 0.798 20.032 19.000 0.390 0.000 1.223 359 A HN 0.469 nan 8.150 nan 0.000 0.425 360 V N 2.922 122.951 119.914 0.191 0.000 2.432 360 V HA 0.512 4.638 4.120 0.010 0.000 0.275 360 V C 1.006 177.183 176.094 0.137 0.000 1.043 360 V CA 0.123 62.523 62.300 0.166 0.000 0.925 360 V CB 1.319 33.204 31.823 0.103 0.000 0.985 360 V HN 1.061 nan 8.190 nan 0.000 0.466 361 T N 1.805 116.453 114.554 0.156 0.000 2.847 361 T HA 0.324 4.680 4.350 0.010 0.000 0.279 361 T C 0.947 175.692 174.700 0.076 0.000 0.984 361 T CA -0.669 61.492 62.100 0.101 0.000 0.988 361 T CB 1.099 70.043 68.868 0.127 0.000 1.040 361 T HN 0.565 nan 8.240 nan 0.000 0.528 362 K N 0.358 120.787 120.400 0.048 0.000 2.209 362 K HA -0.088 4.238 4.320 0.010 0.000 0.204 362 K C 1.310 177.937 176.600 0.045 0.000 1.048 362 K CA 1.468 57.779 56.287 0.040 0.000 0.940 362 K CB -0.162 32.352 32.500 0.024 0.000 0.729 362 K HN 0.787 nan 8.250 nan 0.000 0.451 363 D N -0.610 119.823 120.400 0.055 0.000 2.319 363 D HA 0.025 4.671 4.640 0.010 0.000 0.230 363 D C 0.811 177.151 176.300 0.066 0.000 1.094 363 D CA 0.469 54.503 54.000 0.056 0.000 0.856 363 D CB 0.086 40.919 40.800 0.056 0.000 0.915 363 D HN 0.226 nan 8.370 nan 0.000 0.517 364 G N 0.322 109.165 108.800 0.073 0.000 2.137 364 G HA2 -0.304 3.662 3.960 0.010 0.000 0.237 364 G HA3 -0.304 3.662 3.960 0.010 0.000 0.237 364 G C 0.110 175.060 174.900 0.084 0.000 1.002 364 G CA -0.132 45.009 45.100 0.069 0.000 0.702 364 G HN 0.479 nan 8.290 nan 0.000 0.515 365 R N -1.167 119.413 120.500 0.133 0.000 2.643 365 R HA 0.743 5.089 4.340 0.010 0.000 0.272 365 R C -0.567 175.864 176.300 0.218 0.000 0.995 365 R CA -0.664 55.529 56.100 0.156 0.000 1.032 365 R CB 2.430 32.864 30.300 0.223 0.000 1.126 365 R HN 0.295 nan 8.270 nan 0.000 0.505 366 V N 3.248 123.249 119.914 0.144 0.000 2.487 366 V HA 0.513 4.639 4.120 0.010 0.000 0.298 366 V C -1.506 174.693 176.094 0.174 0.000 1.028 366 V CA -0.560 61.866 62.300 0.210 0.000 0.860 366 V CB 1.171 33.057 31.823 0.104 0.000 0.991 366 V HN 0.495 nan 8.190 nan 0.000 0.427 367 F N 4.687 124.755 119.950 0.196 0.000 2.492 367 F HA 0.898 5.429 4.527 0.007 0.000 0.327 367 F C 0.542 176.488 175.800 0.243 0.000 1.079 367 F CA -0.185 57.961 58.000 0.242 0.000 0.967 367 F CB 2.134 41.309 39.000 0.291 0.000 1.169 367 F HN 0.687 nan 8.300 nan 0.000 0.472 368 A N 2.099 125.104 122.820 0.309 0.000 2.469 368 A HA 0.921 5.247 4.320 0.010 0.000 0.299 368 A C -1.977 175.674 177.584 0.111 0.000 1.098 368 A CA -0.624 51.336 52.037 -0.128 0.000 0.737 368 A CB 1.298 20.210 19.000 -0.146 0.000 1.312 368 A HN 0.913 nan 8.150 nan 0.000 0.414 369 W N -0.709 120.422 121.300 -0.282 0.000 3.059 369 W HA 0.705 5.370 4.660 0.008 0.000 0.329 369 W C 0.107 176.463 176.519 -0.273 0.000 1.246 369 W CA -0.370 56.858 57.345 -0.195 0.000 1.190 369 W CB 0.244 29.635 29.460 -0.116 0.000 1.423 369 W HN 2.222 nan 8.180 nan 0.000 0.571 370 G N 0.386 109.170 108.800 -0.026 0.000 2.428 370 G HA2 -0.044 3.922 3.960 0.010 0.000 0.202 370 G HA3 -0.044 3.922 3.960 0.010 0.000 0.202 370 G C -0.882 173.901 174.900 -0.194 0.000 1.247 370 G CA -0.609 44.375 45.100 -0.193 0.000 1.020 370 G HN 1.202 nan 8.290 nan 0.000 0.529 371 M N 2.049 121.541 119.600 -0.181 0.000 2.269 371 M HA 0.419 4.906 4.480 0.010 0.000 0.350 371 M C 1.492 177.689 176.300 -0.172 0.000 1.429 371 M CA 1.340 56.538 55.300 -0.171 0.000 1.063 371 M CB 0.462 32.975 32.600 -0.145 0.000 1.841 371 M HN 1.045 nan 8.290 nan 0.000 0.455 372 G N 2.129 110.817 108.800 -0.186 0.000 2.887 372 G HA2 -0.028 3.938 3.960 0.010 0.000 0.211 372 G HA3 -0.028 3.938 3.960 0.010 0.000 0.211 372 G C 1.018 175.755 174.900 -0.272 0.000 1.152 372 G CA 0.401 45.388 45.100 -0.188 0.000 0.769 372 G HN 0.797 nan 8.290 nan 0.000 0.541 373 T N 2.029 116.428 114.554 -0.260 0.000 2.649 373 T HA -0.210 4.146 4.350 0.010 0.000 0.268 373 T C 1.976 176.531 174.700 -0.242 0.000 1.036 373 T CA 1.443 63.386 62.100 -0.263 0.000 1.157 373 T CB -0.189 68.564 68.868 -0.191 0.000 0.861 373 T HN 0.262 nan 8.240 nan 0.000 0.445 374 N N 0.251 118.882 118.700 -0.115 0.000 2.461 374 N HA 0.037 4.783 4.740 0.010 0.000 0.188 374 N C -0.336 175.273 175.510 0.165 0.000 1.134 374 N CA 0.157 53.230 53.050 0.038 0.000 0.878 374 N CB -0.170 38.353 38.487 0.059 0.000 0.972 374 N HN 0.492 nan 8.380 nan 0.000 0.456 375 Y N -0.279 120.028 120.300 0.011 0.000 4.032 375 Y HA -0.266 4.290 4.550 0.010 0.000 0.230 375 Y C 1.159 177.080 175.900 0.037 0.000 1.202 375 Y CA 0.208 58.320 58.100 0.019 0.000 1.878 375 Y CB -2.619 35.853 38.460 0.020 0.000 1.586 375 Y HN 0.203 nan 8.280 nan 0.000 0.673 376 Q N -0.142 119.733 119.800 0.124 0.000 2.432 376 Q HA 0.077 4.423 4.340 0.010 0.000 0.205 376 Q C 1.813 177.914 176.000 0.168 0.000 0.945 376 Q CA 0.834 56.723 55.803 0.143 0.000 0.924 376 Q CB 0.107 28.923 28.738 0.129 0.000 1.016 376 Q HN 0.680 nan 8.270 nan 0.000 0.503 377 L N -0.964 120.312 121.223 0.088 0.000 2.341 377 L HA 0.106 4.453 4.340 0.010 0.000 0.214 377 L C 1.294 178.226 176.870 0.103 0.000 1.115 377 L CA 0.593 55.471 54.840 0.063 0.000 0.820 377 L CB -0.243 41.815 42.059 -0.003 0.000 0.944 377 L HN 0.390 nan 8.230 nan 0.000 0.452 378 G N 0.421 109.289 108.800 0.115 0.000 2.153 378 G HA2 -0.340 3.626 3.960 0.010 0.000 0.252 378 G HA3 -0.340 3.626 3.960 0.010 0.000 0.252 378 G C 0.918 175.860 174.900 0.070 0.000 0.994 378 G CA 0.730 45.885 45.100 0.092 0.000 0.698 378 G HN 0.407 nan 8.290 nan 0.000 0.521 379 T N -3.212 111.389 114.554 0.080 0.000 3.014 379 T HA 0.392 4.748 4.350 0.010 0.000 0.263 379 T C 2.490 177.237 174.700 0.078 0.000 1.078 379 T CA 1.817 63.954 62.100 0.062 0.000 1.135 379 T CB 0.194 69.095 68.868 0.055 0.000 0.895 379 T HN 2.170 nan 8.240 nan 0.000 0.480 380 G N 0.405 109.281 108.800 0.128 0.000 2.195 380 G HA2 -0.152 3.814 3.960 0.010 0.000 0.224 380 G HA3 -0.152 3.814 3.960 0.010 0.000 0.224 380 G C -0.090 174.950 174.900 0.233 0.000 0.990 380 G CA -0.010 45.173 45.100 0.139 0.000 0.639 380 G HN 0.669 nan 8.290 nan 0.000 0.514 381 Q N 0.066 119.991 119.800 0.209 0.000 2.496 381 Q HA 0.541 4.887 4.340 0.010 0.000 0.286 381 Q C -0.233 175.710 176.000 -0.096 0.000 1.103 381 Q CA -0.076 55.816 55.803 0.147 0.000 0.813 381 Q CB 1.541 30.316 28.738 0.061 0.000 1.444 381 Q HN 0.355 nan 8.270 nan 0.000 0.443 382 D N -1.115 119.110 120.400 -0.291 0.000 2.462 382 D HA 0.057 4.703 4.640 0.010 0.000 0.221 382 D C -0.349 175.796 176.300 -0.258 0.000 1.173 382 D CA -0.079 53.591 54.000 -0.549 0.000 0.831 382 D CB 0.548 40.861 40.800 -0.810 0.000 1.001 382 D HN 0.182 nan 8.370 nan 0.000 0.499 383 E N 1.200 121.323 120.200 -0.127 0.000 2.343 383 E HA 0.139 4.495 4.350 0.010 0.000 0.269 383 E C 0.010 176.590 176.600 -0.034 0.000 1.047 383 E CA -0.383 55.986 56.400 -0.052 0.000 0.874 383 E CB 0.912 30.617 29.700 0.008 0.000 1.033 383 E HN 0.167 nan 8.360 nan 0.000 0.409 384 D N 0.735 121.140 120.400 0.008 0.000 2.423 384 D HA 0.233 4.879 4.640 0.010 0.000 0.238 384 D C -0.388 175.979 176.300 0.111 0.000 1.142 384 D CA 0.175 54.188 54.000 0.021 0.000 0.884 384 D CB 0.687 41.528 40.800 0.068 0.000 1.199 384 D HN 0.377 nan 8.370 nan 0.000 0.438 385 A N 1.754 124.609 122.820 0.057 0.000 2.293 385 A HA 0.306 4.632 4.320 0.010 0.000 0.312 385 A C -0.098 177.573 177.584 0.145 0.000 1.309 385 A CA -0.813 51.314 52.037 0.150 0.000 0.839 385 A CB 0.168 19.245 19.000 0.128 0.000 1.155 385 A HN 0.617 nan 8.150 nan 0.000 0.501 386 W N 2.102 123.440 121.300 0.064 0.000 3.047 386 W HA 0.172 4.838 4.660 0.010 0.000 0.250 386 W C 0.611 177.122 176.519 -0.012 0.000 1.314 386 W CA 0.582 57.950 57.345 0.039 0.000 1.540 386 W CB 0.298 29.768 29.460 0.017 0.000 1.127 386 W HN 0.538 nan 8.180 nan 0.000 0.679 387 S N -1.084 114.720 115.700 0.173 0.000 2.634 387 S HA 0.467 4.943 4.470 0.010 0.000 0.296 387 S C -2.666 171.992 174.600 0.095 0.000 1.104 387 S CA -1.417 56.804 58.200 0.035 0.000 0.920 387 S CB 1.747 64.974 63.200 0.046 0.000 1.111 387 S HN -0.448 nan 8.310 nan 0.000 0.493 388 P HA 0.246 nan 4.420 nan 0.000 0.267 388 P C -1.345 176.188 177.300 0.387 0.000 1.205 388 P CA -0.113 63.174 63.100 0.312 0.000 0.765 388 P CB 0.376 32.167 31.700 0.152 0.000 0.828 389 V N 3.359 123.493 119.914 0.367 0.000 2.448 389 V HA 0.233 4.359 4.120 0.010 0.000 0.295 389 V C 0.395 176.473 176.094 -0.027 0.000 1.025 389 V CA -0.783 61.629 62.300 0.187 0.000 0.859 389 V CB 1.535 33.425 31.823 0.111 0.000 0.988 389 V HN 0.498 nan 8.190 nan 0.000 0.431 390 E N 4.313 124.287 120.200 -0.377 0.000 2.366 390 E HA 0.211 4.567 4.350 0.010 0.000 0.266 390 E C -0.422 175.961 176.600 -0.363 0.000 1.015 390 E CA -0.360 55.497 56.400 -0.905 0.000 0.906 390 E CB 0.603 29.719 29.700 -0.973 0.000 0.979 390 E HN 0.589 nan 8.360 nan 0.000 0.443 391 M N 5.397 124.836 119.600 -0.270 0.000 2.184 391 M HA 0.173 4.659 4.480 0.010 0.000 0.351 391 M C 0.107 176.348 176.300 -0.099 0.000 1.395 391 M CA 0.656 55.895 55.300 -0.102 0.000 1.117 391 M CB 0.730 33.317 32.600 -0.022 0.000 1.708 391 M HN 0.491 nan 8.290 nan 0.000 0.468 392 M N 0.962 120.525 119.600 -0.061 0.000 2.561 392 M HA 0.899 5.385 4.480 0.010 0.000 0.266 392 M C 0.384 176.671 176.300 -0.022 0.000 0.983 392 M CA -0.777 54.496 55.300 -0.045 0.000 1.080 392 M CB 1.943 34.517 32.600 -0.043 0.000 1.554 392 M HN 0.804 nan 8.290 nan 0.000 0.604 393 G N 0.379 109.169 108.800 -0.016 0.000 2.423 393 G HA2 -0.106 3.860 3.960 0.010 0.000 0.684 393 G HA3 -0.106 3.860 3.960 0.010 0.000 0.684 393 G C -0.397 174.496 174.900 -0.011 0.000 1.309 393 G CA -0.075 45.019 45.100 -0.010 0.000 0.950 393 G HN 0.781 nan 8.290 nan 0.000 0.587 394 K N -0.421 119.973 120.400 -0.011 0.000 2.057 394 K HA -0.072 4.254 4.320 0.010 0.000 0.206 394 K C 2.159 178.752 176.600 -0.012 0.000 1.050 394 K CA 1.913 58.193 56.287 -0.011 0.000 0.935 394 K CB -0.115 32.378 32.500 -0.012 0.000 0.715 394 K HN 0.378 nan 8.250 nan 0.000 0.439 395 Q N 0.187 119.979 119.800 -0.013 0.000 2.435 395 Q HA -0.000 4.346 4.340 0.010 0.000 0.207 395 Q C 1.674 177.667 176.000 -0.012 0.000 0.956 395 Q CA 0.688 56.483 55.803 -0.013 0.000 0.917 395 Q CB 0.322 29.051 28.738 -0.015 0.000 0.997 395 Q HN 0.399 nan 8.270 nan 0.000 0.497 396 L N -0.007 121.209 121.223 -0.012 0.000 2.590 396 L HA 0.142 4.488 4.340 0.010 0.000 0.227 396 L C 0.364 177.229 176.870 -0.009 0.000 1.099 396 L CA -0.093 54.740 54.840 -0.011 0.000 0.872 396 L CB 0.314 42.364 42.059 -0.016 0.000 1.088 396 L HN 0.036 nan 8.230 nan 0.000 0.479 397 E N 1.568 121.763 120.200 -0.009 0.000 2.480 397 E HA -0.073 4.283 4.350 0.010 0.000 0.258 397 E C -0.076 176.522 176.600 -0.003 0.000 0.984 397 E CA 0.225 56.621 56.400 -0.006 0.000 0.930 397 E CB 0.036 29.732 29.700 -0.006 0.000 0.936 397 E HN 0.276 nan 8.360 nan 0.000 0.466 398 N N 2.042 120.743 118.700 0.000 0.000 2.741 398 N HA -0.241 4.505 4.740 0.010 0.000 0.250 398 N C -0.803 174.709 175.510 0.003 0.000 1.115 398 N CA 0.532 53.584 53.050 0.003 0.000 0.724 398 N CB -0.596 37.891 38.487 0.001 0.000 1.090 398 N HN 0.393 nan 8.380 nan 0.000 0.558 399 R N 0.149 120.651 120.500 0.004 0.000 2.795 399 R HA 0.650 4.996 4.340 0.010 0.000 0.275 399 R C -0.552 175.754 176.300 0.011 0.000 0.981 399 R CA -0.958 55.145 56.100 0.005 0.000 0.917 399 R CB 2.107 32.407 30.300 0.000 0.000 1.202 399 R HN 0.027 nan 8.270 nan 0.000 0.469 400 V N -0.428 119.495 119.914 0.014 0.000 2.435 400 V HA 0.500 4.626 4.120 0.010 0.000 0.290 400 V C 0.044 176.151 176.094 0.021 0.000 1.030 400 V CA -0.879 61.434 62.300 0.022 0.000 0.881 400 V CB 1.641 33.479 31.823 0.025 0.000 0.983 400 V HN 0.385 nan 8.190 nan 0.000 0.445 401 V N 6.232 126.163 119.914 0.028 0.000 2.488 401 V HA 0.219 4.345 4.120 0.010 0.000 0.277 401 V C 1.111 177.222 176.094 0.029 0.000 1.046 401 V CA -0.018 62.296 62.300 0.024 0.000 0.986 401 V CB 0.945 32.786 31.823 0.031 0.000 0.989 401 V HN 0.916 nan 8.190 nan 0.000 0.475 402 L N 3.547 124.782 121.223 0.020 0.000 2.298 402 L HA 0.217 4.564 4.340 0.010 0.000 0.209 402 L C 0.859 177.743 176.870 0.022 0.000 1.084 402 L CA 0.626 55.480 54.840 0.024 0.000 0.816 402 L CB 0.248 42.320 42.059 0.021 0.000 0.967 402 L HN 0.846 nan 8.230 nan 0.000 0.460 403 S N -1.706 113.997 115.700 0.005 0.000 2.567 403 S HA 0.592 5.068 4.470 0.010 0.000 0.270 403 S C -1.239 173.328 174.600 -0.054 0.000 1.152 403 S CA -0.769 57.425 58.200 -0.010 0.000 0.835 403 S CB 2.474 65.670 63.200 -0.007 0.000 1.115 403 S HN -0.169 nan 8.310 nan 0.000 0.459 404 V N 0.695 120.555 119.914 -0.090 0.000 2.841 404 V HA 0.919 5.045 4.120 0.010 0.000 0.310 404 V C -0.938 175.021 176.094 -0.226 0.000 1.090 404 V CA 0.187 62.363 62.300 -0.207 0.000 0.930 404 V CB 1.948 33.590 31.823 -0.301 0.000 1.014 404 V HN 1.388 nan 8.190 nan 0.000 0.425 405 S N 3.866 119.390 115.700 -0.294 0.000 2.541 405 S HA 0.815 5.291 4.470 0.010 0.000 0.271 405 S C -1.228 173.164 174.600 -0.347 0.000 1.133 405 S CA -0.065 57.981 58.200 -0.257 0.000 0.876 405 S CB 1.968 65.052 63.200 -0.193 0.000 1.105 405 S HN 1.298 nan 8.310 nan 0.000 0.470 406 S N 1.865 117.392 115.700 -0.289 0.000 2.546 406 S HA 0.830 5.307 4.470 0.010 0.000 0.274 406 S C 0.111 174.558 174.600 -0.255 0.000 1.121 406 S CA 0.044 58.065 58.200 -0.299 0.000 0.887 406 S CB 1.248 64.386 63.200 -0.103 0.000 1.094 406 S HN 1.106 nan 8.310 nan 0.000 0.474 407 G N 1.839 110.445 108.800 -0.324 0.000 3.175 407 G HA2 0.540 4.506 3.960 0.010 0.000 0.153 407 G HA3 0.540 4.506 3.960 0.010 0.000 0.153 407 G C 1.005 175.895 174.900 -0.018 0.000 1.216 407 G CA 0.123 45.131 45.100 -0.153 0.000 0.943 407 G HN 0.986 nan 8.290 nan 0.000 0.611 408 G N -0.887 107.959 108.800 0.077 0.000 2.414 408 G HA2 0.037 4.003 3.960 0.010 0.000 0.215 408 G HA3 0.037 4.003 3.960 0.010 0.000 0.215 408 G C 1.258 176.216 174.900 0.096 0.000 1.188 408 G CA 1.120 46.269 45.100 0.081 0.000 0.783 408 G HN 0.491 nan 8.290 nan 0.000 0.537 409 Q N -0.541 119.357 119.800 0.164 0.000 2.103 409 Q HA 0.148 4.494 4.340 0.010 0.000 0.219 409 Q C -0.262 175.863 176.000 0.210 0.000 0.784 409 Q CA -0.313 55.579 55.803 0.148 0.000 1.014 409 Q CB 1.049 29.859 28.738 0.121 0.000 1.183 409 Q HN 0.767 nan 8.270 nan 0.000 0.469 410 H N -1.830 117.260 119.070 0.033 0.000 2.907 410 H HA 0.679 5.241 4.556 0.010 0.000 0.361 410 H C -1.158 174.171 175.328 0.001 0.000 1.194 410 H CA -0.678 55.388 56.048 0.030 0.000 1.152 410 H CB 1.791 31.572 29.762 0.030 0.000 1.867 410 H HN -0.206 nan 8.280 nan 0.000 0.561 411 T N 1.150 115.611 114.554 -0.154 0.000 2.933 411 T HA 0.448 4.804 4.350 0.010 0.000 0.305 411 T C -0.895 173.689 174.700 -0.194 0.000 1.092 411 T CA -0.593 61.336 62.100 -0.286 0.000 1.008 411 T CB 1.801 70.534 68.868 -0.225 0.000 1.102 411 T HN 0.486 nan 8.240 nan 0.000 0.469 412 V N 3.734 123.501 119.914 -0.245 0.000 2.487 412 V HA 0.591 4.717 4.120 0.010 0.000 0.298 412 V C -0.630 175.375 176.094 -0.147 0.000 1.028 412 V CA -0.805 61.422 62.300 -0.121 0.000 0.860 412 V CB 1.525 33.294 31.823 -0.089 0.000 0.991 412 V HN 0.697 nan 8.190 nan 0.000 0.427 413 L N 4.770 125.940 121.223 -0.089 0.000 2.342 413 L HA 0.657 5.003 4.340 0.010 0.000 0.271 413 L C -0.889 175.959 176.870 -0.037 0.000 1.008 413 L CA -0.780 54.011 54.840 -0.082 0.000 0.818 413 L CB 2.055 44.072 42.059 -0.070 0.000 1.296 413 L HN 0.462 nan 8.230 nan 0.000 0.427 414 L N 3.997 125.201 121.223 -0.031 0.000 2.325 414 L HA 0.729 5.075 4.340 0.010 0.000 0.281 414 L C -0.499 176.368 176.870 -0.005 0.000 1.004 414 L CA -0.352 54.482 54.840 -0.010 0.000 0.823 414 L CB 1.662 43.719 42.059 -0.004 0.000 1.236 414 L HN 0.393 nan 8.230 nan 0.000 0.415 415 V N 1.840 121.752 119.914 -0.003 0.000 3.141 415 V HA 0.750 4.876 4.120 0.010 0.000 0.312 415 V C -0.971 175.124 176.094 0.003 0.000 1.157 415 V CA -0.869 61.432 62.300 0.001 0.000 1.041 415 V CB 1.975 33.796 31.823 -0.003 0.000 1.071 415 V HN 0.845 nan 8.190 nan 0.000 0.441 416 K N 0.446 120.850 120.400 0.006 0.000 2.477 416 K HA 0.395 4.721 4.320 0.010 0.000 0.255 416 K C -1.367 175.236 176.600 0.005 0.000 0.952 416 K CA -0.652 55.639 56.287 0.006 0.000 0.826 416 K CB 2.405 34.912 32.500 0.011 0.000 1.331 416 K HN 0.938 nan 8.250 nan 0.000 0.437 417 D N 2.552 122.954 120.400 0.003 0.000 2.424 417 D HA 0.028 4.674 4.640 0.010 0.000 0.244 417 D C -0.158 176.146 176.300 0.006 0.000 1.134 417 D CA 0.370 54.372 54.000 0.003 0.000 0.881 417 D CB 0.910 41.710 40.800 0.000 0.000 1.191 417 D HN 0.293 nan 8.370 nan 0.000 0.445 418 K N 1.417 121.821 120.400 0.007 0.000 2.530 418 K HA -0.120 4.206 4.320 0.010 0.000 0.280 418 K C 0.158 176.763 176.600 0.009 0.000 1.004 418 K CA 0.327 56.620 56.287 0.009 0.000 1.071 418 K CB 0.307 32.813 32.500 0.009 0.000 0.876 418 K HN 0.240 nan 8.250 nan 0.000 0.487 419 E N 3.406 123.613 120.200 0.011 0.000 2.705 419 E HA -0.043 4.314 4.350 0.010 0.000 0.272 419 E C -0.874 175.732 176.600 0.009 0.000 1.528 419 E CA 0.272 56.678 56.400 0.010 0.000 1.750 419 E CB -0.085 29.622 29.700 0.012 0.000 1.439 419 E HN 0.344 nan 8.360 nan 0.000 0.449 420 Q N 0.864 120.668 119.800 0.008 0.000 2.333 420 Q HA 0.446 4.792 4.340 0.010 0.000 0.268 420 Q C -0.383 175.620 176.000 0.005 0.000 1.007 420 Q CA -0.686 55.121 55.803 0.007 0.000 0.810 420 Q CB 1.926 30.668 28.738 0.006 0.000 1.264 420 Q HN 0.344 nan 8.270 nan 0.000 0.452 421 S N 0.000 115.703 115.700 0.005 0.000 2.498 421 S HA 0.000 4.476 4.470 0.010 0.000 0.327 421 S CA 0.000 58.202 58.200 0.004 0.000 1.107 421 S CB 0.000 63.202 63.200 0.003 0.000 0.593 421 S HN 0.000 nan 8.310 nan 0.000 0.517