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 3hy0_1_B DATA FIRST_RESID 1 DATA SEQUENCE SKSTAEIRQA FLDFFHSKGH QVVASSSLVP HNDPTLLFTN AGMNQFKDVF DATA SEQUENCE LGLDKRNYSR ATTSQRCVRA GGKHNDLENV GYTARHHTFF EMLGNFSFGD DATA SEQUENCE YFKLDAILFA WLLLTSEKWF ALPKERLWVT VYESDDEAYE IWEKEVGIPR DATA SEQUENCE ERIIRIGDNK GAPYASDNFW QMGDTGPCGP CTEIFYDHGD HIWGGPPGSP DATA SEQUENCE EEDGDRYIEI WNIVFMQFNR QADGTMEPLP KPSVDTAMGL ERIAAVLQHV DATA SEQUENCE NSNYDIDLFR TLIQAVAKVT GATDLSNKSL RVIADHIRSC AFLIADGVMP DATA SEQUENCE SNENRGYVLR RIIRRAVRHG NMLGAKETFF YKLVGPLIDV MGSAGEDLKR DATA SEQUENCE QQAQVEQVLK TEEEQFARTL ERGLALLDEE LAKLSGDTLD GETAFRLYDT DATA SEQUENCE YGFPVDLTAD VCRERNIKVD EAGFEAAMEE QRRRAREASG F 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.597 174.600 -0.004 0.000 1.055 1 S CA 0.000 58.222 58.200 0.037 0.000 1.107 1 S CB 0.000 63.227 63.200 0.045 0.000 0.593 2 K N 1.712 122.089 120.400 -0.038 0.000 2.382 2 K HA 0.430 4.752 4.320 0.003 0.000 0.275 2 K C 0.758 177.327 176.600 -0.051 0.000 1.009 2 K CA 0.077 56.339 56.287 -0.041 0.000 0.970 2 K CB 0.631 33.094 32.500 -0.061 0.000 0.934 2 K HN 0.780 nan 8.250 nan 0.000 0.479 3 S N 1.343 117.025 115.700 -0.030 0.000 2.614 3 S HA 0.031 4.503 4.470 0.003 0.000 0.265 3 S C 1.167 175.739 174.600 -0.047 0.000 1.303 3 S CA -0.505 57.675 58.200 -0.033 0.000 1.000 3 S CB 1.297 64.486 63.200 -0.018 0.000 0.935 3 S HN 0.577 nan 8.310 nan 0.000 0.551 4 T N 1.794 116.317 114.554 -0.052 0.000 2.720 4 T HA -0.108 4.244 4.350 0.003 0.000 0.268 4 T C 2.159 176.835 174.700 -0.041 0.000 1.037 4 T CA 1.746 63.809 62.100 -0.061 0.000 1.144 4 T CB -0.989 67.838 68.868 -0.068 0.000 0.864 4 T HN 0.825 nan 8.240 nan 0.000 0.444 5 A N 1.475 124.280 122.820 -0.025 0.000 1.902 5 A HA -0.157 4.165 4.320 0.003 0.000 0.217 5 A C 2.194 179.788 177.584 0.017 0.000 1.181 5 A CA 1.750 53.785 52.037 -0.005 0.000 0.623 5 A CB -0.547 18.451 19.000 -0.002 0.000 0.818 5 A HN 0.584 nan 8.150 nan 0.000 0.443 6 E N -0.476 119.733 120.200 0.016 0.000 2.106 6 E HA -0.116 4.236 4.350 0.003 0.000 0.192 6 E C 1.846 178.492 176.600 0.076 0.000 0.984 6 E CA 1.105 57.531 56.400 0.044 0.000 0.806 6 E CB -0.250 29.468 29.700 0.032 0.000 0.750 6 E HN 0.715 nan 8.360 nan 0.000 0.458 7 I N 0.717 121.306 120.570 0.030 0.000 2.252 7 I HA -0.253 3.919 4.170 0.003 0.000 0.245 7 I C 2.701 178.896 176.117 0.130 0.000 1.102 7 I CA 0.880 62.206 61.300 0.042 0.000 1.385 7 I CB -0.223 37.702 38.000 -0.125 0.000 1.064 7 I HN 0.027 nan 8.210 nan 0.000 0.414 8 R N 0.752 121.286 120.500 0.057 0.000 2.096 8 R HA -0.286 4.056 4.340 0.003 0.000 0.240 8 R C 2.369 178.762 176.300 0.154 0.000 1.139 8 R CA 2.119 58.258 56.100 0.064 0.000 0.952 8 R CB -0.221 30.086 30.300 0.011 0.000 0.854 8 R HN 0.237 nan 8.270 nan 0.000 0.436 9 Q N 0.096 119.976 119.800 0.132 0.000 2.119 9 Q HA -0.032 4.310 4.340 0.003 0.000 0.201 9 Q C 1.793 177.909 176.000 0.193 0.000 0.972 9 Q CA 2.016 57.903 55.803 0.139 0.000 0.847 9 Q CB -0.237 28.559 28.738 0.097 0.000 0.903 9 Q HN 0.450 nan 8.270 nan 0.000 0.433 10 A N -0.427 122.538 122.820 0.242 0.000 1.933 10 A HA -0.140 4.182 4.320 0.003 0.000 0.218 10 A C 1.999 179.740 177.584 0.263 0.000 1.175 10 A CA 1.299 53.517 52.037 0.302 0.000 0.628 10 A CB -0.988 18.263 19.000 0.419 0.000 0.814 10 A HN 0.567 nan 8.150 nan 0.000 0.444 11 F N 0.688 120.731 119.950 0.155 0.000 2.069 11 F HA -0.179 4.350 4.527 0.003 0.000 0.298 11 F C 1.908 177.800 175.800 0.152 0.000 1.113 11 F CA 1.964 60.010 58.000 0.077 0.000 1.214 11 F CB -0.241 38.799 39.000 0.067 0.000 0.978 11 F HN 0.148 nan 8.300 nan 0.000 0.474 12 L N -0.039 121.383 121.223 0.333 0.000 2.046 12 L HA -0.221 4.121 4.340 0.003 0.000 0.208 12 L C 2.179 179.118 176.870 0.116 0.000 1.077 12 L CA 1.372 56.344 54.840 0.220 0.000 0.747 12 L CB -0.907 41.281 42.059 0.215 0.000 0.896 12 L HN 0.105 nan 8.230 nan 0.000 0.432 13 D N -0.147 120.326 120.400 0.121 0.000 2.123 13 D HA -0.231 4.411 4.640 0.003 0.000 0.196 13 D C 1.891 178.217 176.300 0.043 0.000 0.992 13 D CA 1.243 55.319 54.000 0.128 0.000 0.833 13 D CB -0.271 40.637 40.800 0.181 0.000 0.954 13 D HN 0.206 nan 8.370 nan 0.000 0.455 14 F N 0.555 120.322 119.950 -0.304 0.000 2.069 14 F HA -0.244 4.285 4.527 0.003 0.000 0.298 14 F C 2.065 177.392 175.800 -0.787 0.000 1.113 14 F CA 1.469 58.980 58.000 -0.816 0.000 1.214 14 F CB -0.436 37.731 39.000 -1.388 0.000 0.978 14 F HN -0.150 nan 8.300 nan 0.000 0.474 15 F N -0.500 119.135 119.950 -0.526 0.000 2.259 15 F HA -0.090 4.439 4.527 0.003 0.000 0.298 15 F C 2.543 178.133 175.800 -0.349 0.000 1.088 15 F CA 1.702 59.283 58.000 -0.699 0.000 1.358 15 F CB -1.181 37.317 39.000 -0.836 0.000 1.040 15 F HN 0.134 nan 8.300 nan 0.000 0.505 16 H N 0.077 119.087 119.070 -0.099 0.000 2.353 16 H HA -0.159 4.399 4.556 0.003 0.000 0.300 16 H C 2.379 177.651 175.328 -0.094 0.000 1.090 16 H CA 1.929 57.954 56.048 -0.039 0.000 1.327 16 H CB -0.256 29.500 29.762 -0.010 0.000 1.383 16 H HN 0.159 nan 8.280 nan 0.000 0.508 17 S N -0.526 115.060 115.700 -0.191 0.000 2.474 17 S HA -0.064 4.408 4.470 0.003 0.000 0.235 17 S C 1.371 175.781 174.600 -0.317 0.000 0.997 17 S CA 0.679 58.739 58.200 -0.234 0.000 0.949 17 S CB -0.012 63.108 63.200 -0.135 0.000 0.766 17 S HN 0.263 nan 8.310 nan 0.000 0.517 18 K N 1.050 121.200 120.400 -0.417 0.000 2.500 18 K HA 0.332 4.654 4.320 0.003 0.000 0.206 18 K C 1.163 177.691 176.600 -0.120 0.000 1.034 18 K CA 0.400 56.480 56.287 -0.346 0.000 1.179 18 K CB -0.263 31.792 32.500 -0.741 0.000 0.884 18 K HN 0.552 nan 8.250 nan 0.000 0.493 19 G N 1.357 110.061 108.800 -0.160 0.000 2.159 19 G HA2 -0.260 3.702 3.960 0.003 0.000 0.256 19 G HA3 -0.260 3.702 3.960 0.003 0.000 0.256 19 G C -0.393 174.420 174.900 -0.146 0.000 0.977 19 G CA 0.035 45.039 45.100 -0.160 0.000 0.652 19 G HN 0.484 nan 8.290 nan 0.000 0.531 20 H N 0.018 119.011 119.070 -0.128 0.000 2.580 20 H HA 0.525 5.083 4.556 0.003 0.000 0.322 20 H C 0.550 175.871 175.328 -0.012 0.000 1.082 20 H CA -0.062 55.957 56.048 -0.047 0.000 1.383 20 H CB 1.233 30.977 29.762 -0.029 0.000 1.450 20 H HN 0.332 nan 8.280 nan 0.000 0.505 21 Q N 2.604 122.407 119.800 0.005 0.000 2.271 21 Q HA 0.132 4.474 4.340 0.003 0.000 0.273 21 Q C -0.968 175.012 176.000 -0.034 0.000 1.051 21 Q CA -0.194 55.547 55.803 -0.104 0.000 0.901 21 Q CB 0.324 28.717 28.738 -0.574 0.000 1.174 21 Q HN 0.503 nan 8.270 nan 0.000 0.385 22 V N 5.948 125.896 119.914 0.058 0.000 2.439 22 V HA 0.219 4.341 4.120 0.003 0.000 0.271 22 V C -0.167 175.945 176.094 0.030 0.000 1.040 22 V CA -0.365 61.975 62.300 0.066 0.000 1.002 22 V CB 0.839 32.684 31.823 0.036 0.000 1.000 22 V HN 0.616 nan 8.190 nan 0.000 0.477 23 V N 4.522 124.494 119.914 0.097 0.000 2.513 23 V HA 0.691 4.813 4.120 0.003 0.000 0.299 23 V C 0.584 176.755 176.094 0.128 0.000 1.035 23 V CA -0.777 61.599 62.300 0.125 0.000 0.889 23 V CB 1.803 33.792 31.823 0.277 0.000 0.988 23 V HN 0.975 nan 8.190 nan 0.000 0.440 24 A N 3.070 125.939 122.820 0.081 0.000 2.445 24 A HA 0.417 4.739 4.320 0.003 0.000 0.242 24 A C 0.774 178.384 177.584 0.044 0.000 1.075 24 A CA 0.290 52.362 52.037 0.058 0.000 0.777 24 A CB 0.257 19.280 19.000 0.039 0.000 1.013 24 A HN 1.019 nan 8.150 nan 0.000 0.493 25 S N 1.304 117.024 115.700 0.034 0.000 2.558 25 S HA 0.240 4.711 4.470 0.003 0.000 0.293 25 S C 0.919 175.508 174.600 -0.018 0.000 1.292 25 S CA 0.143 58.344 58.200 0.001 0.000 1.063 25 S CB -0.290 62.903 63.200 -0.012 0.000 0.831 25 S HN 1.657 nan 8.310 nan 0.000 0.499 26 S N 4.133 119.801 115.700 -0.055 0.000 2.634 26 S HA 0.397 4.869 4.470 0.003 0.000 0.261 26 S C 0.477 175.070 174.600 -0.012 0.000 1.271 26 S CA -0.442 57.726 58.200 -0.053 0.000 0.985 26 S CB 0.945 64.085 63.200 -0.099 0.000 0.968 26 S HN 0.888 nan 8.310 nan 0.000 0.568 27 S N -0.420 115.288 115.700 0.013 0.000 2.589 27 S HA 0.181 4.653 4.470 0.003 0.000 0.265 27 S C 1.088 175.720 174.600 0.054 0.000 1.342 27 S CA -0.655 57.575 58.200 0.050 0.000 1.005 27 S CB -0.399 62.839 63.200 0.063 0.000 0.909 27 S HN 0.641 nan 8.310 nan 0.000 0.555 28 L N 2.256 123.528 121.223 0.082 0.000 2.465 28 L HA 0.141 4.482 4.340 0.003 0.000 0.224 28 L C -0.193 176.796 176.870 0.197 0.000 1.145 28 L CA 0.222 55.120 54.840 0.098 0.000 0.834 28 L CB 0.023 42.117 42.059 0.059 0.000 0.944 28 L HN 0.358 nan 8.230 nan 0.000 0.451 29 V N 1.175 121.195 119.914 0.176 0.000 2.350 29 V HA 0.318 4.440 4.120 0.003 0.000 0.285 29 V C -2.079 174.097 176.094 0.137 0.000 1.014 29 V CA -1.520 60.904 62.300 0.206 0.000 0.831 29 V CB 1.302 33.249 31.823 0.208 0.000 1.000 29 V HN -0.011 nan 8.190 nan 0.000 0.433 30 P HA 0.234 nan 4.420 nan 0.000 0.275 30 P C -0.008 177.352 177.300 0.101 0.000 1.228 30 P CA -0.048 63.105 63.100 0.088 0.000 0.786 30 P CB 1.429 33.163 31.700 0.058 0.000 0.927 31 H N 1.759 120.840 119.070 0.018 0.000 2.520 31 H HA 0.182 4.740 4.556 0.003 0.000 0.279 31 H C 0.547 175.879 175.328 0.008 0.000 0.990 31 H CA 0.785 56.841 56.048 0.014 0.000 1.288 31 H CB 0.483 30.251 29.762 0.009 0.000 1.446 31 H HN 0.262 nan 8.280 nan 0.000 0.538 32 N N 0.677 119.411 118.700 0.058 0.000 2.433 32 N HA 0.058 4.800 4.740 0.003 0.000 0.270 32 N C -1.221 174.292 175.510 0.006 0.000 1.354 32 N CA 0.131 53.192 53.050 0.019 0.000 0.889 32 N CB 1.056 39.588 38.487 0.075 0.000 1.285 32 N HN 0.274 nan 8.380 nan 0.000 0.503 33 D N 0.817 121.214 120.400 -0.004 0.000 2.330 33 D HA 0.207 4.849 4.640 0.003 0.000 0.249 33 D C -1.813 174.479 176.300 -0.013 0.000 1.306 33 D CA -1.435 52.566 54.000 0.002 0.000 0.956 33 D CB 1.842 42.655 40.800 0.022 0.000 1.261 33 D HN -0.023 nan 8.370 nan 0.000 0.544 34 P HA -0.072 nan 4.420 nan 0.000 0.230 34 P C 1.135 178.419 177.300 -0.027 0.000 1.158 34 P CA 0.763 63.844 63.100 -0.032 0.000 0.769 34 P CB 0.006 31.687 31.700 -0.031 0.000 0.807 35 T N -3.515 111.031 114.554 -0.014 0.000 3.113 35 T HA 0.090 4.441 4.350 0.003 0.000 0.256 35 T C 0.551 175.242 174.700 -0.015 0.000 1.131 35 T CA -0.077 62.016 62.100 -0.012 0.000 1.074 35 T CB -0.427 68.442 68.868 0.001 0.000 0.944 35 T HN -0.069 nan 8.240 nan 0.000 0.516 36 L N 1.579 122.794 121.223 -0.015 0.000 2.319 36 L HA 0.556 4.898 4.340 0.003 0.000 0.281 36 L C 0.620 177.454 176.870 -0.061 0.000 1.005 36 L CA -1.028 53.808 54.840 -0.007 0.000 0.828 36 L CB 1.534 43.614 42.059 0.034 0.000 1.227 36 L HN 0.047 nan 8.230 nan 0.000 0.415 37 L N 5.164 126.313 121.223 -0.123 0.000 1.973 37 L HA 0.269 4.611 4.340 0.003 0.000 0.208 37 L C -0.326 176.258 176.870 -0.477 0.000 1.073 37 L CA 1.753 56.377 54.840 -0.360 0.000 0.746 37 L CB -0.083 41.727 42.059 -0.416 0.000 0.891 37 L HN 0.497 nan 8.230 nan 0.000 0.433 38 F N -1.493 118.497 119.950 0.067 0.000 2.599 38 F HA 0.369 4.897 4.527 0.003 0.000 0.311 38 F C 0.342 176.178 175.800 0.060 0.000 1.076 38 F CA -1.317 56.722 58.000 0.064 0.000 0.937 38 F CB 0.691 39.735 39.000 0.073 0.000 1.282 38 F HN -0.421 nan 8.300 nan 0.000 0.460 39 T N 1.999 116.702 114.554 0.247 0.000 2.831 39 T HA 0.050 4.402 4.350 0.003 0.000 0.291 39 T C 0.806 175.567 174.700 0.101 0.000 0.981 39 T CA 0.170 62.345 62.100 0.124 0.000 1.174 39 T CB -0.147 68.747 68.868 0.044 0.000 0.929 39 T HN 0.647 nan 8.240 nan 0.000 0.532 40 N N 1.165 119.950 118.700 0.141 0.000 2.171 40 N HA 0.392 5.134 4.740 0.003 0.000 0.212 40 N C -0.243 175.356 175.510 0.148 0.000 1.184 40 N CA -0.421 52.731 53.050 0.169 0.000 0.888 40 N CB 0.790 39.461 38.487 0.307 0.000 1.038 40 N HN 0.618 nan 8.380 nan 0.000 0.517 41 A N -1.336 121.554 122.820 0.117 0.000 2.604 41 A HA 0.679 5.001 4.320 0.003 0.000 0.295 41 A C 0.939 178.573 177.584 0.084 0.000 1.067 41 A CA -0.478 51.619 52.037 0.100 0.000 0.683 41 A CB 0.600 19.728 19.000 0.214 0.000 1.281 41 A HN 0.032 nan 8.150 nan 0.000 0.407 42 G N 0.722 109.588 108.800 0.110 0.000 2.475 42 G HA2 -0.160 3.802 3.960 0.003 0.000 0.220 42 G HA3 -0.160 3.802 3.960 0.003 0.000 0.220 42 G C 1.192 176.261 174.900 0.282 0.000 1.125 42 G CA 1.999 47.252 45.100 0.256 0.000 0.755 42 G HN 1.257 nan 8.290 nan 0.000 0.565 43 M N 0.090 119.901 119.600 0.351 0.000 2.557 43 M HA 0.212 4.694 4.480 0.003 0.000 0.259 43 M C 1.508 177.986 176.300 0.296 0.000 1.086 43 M CA 0.975 56.519 55.300 0.406 0.000 1.096 43 M CB -1.045 31.845 32.600 0.483 0.000 1.424 43 M HN 0.193 nan 8.290 nan 0.000 0.488 44 N N 1.420 120.224 118.700 0.175 0.000 2.061 44 N HA -0.260 4.482 4.740 0.003 0.000 0.193 44 N C 1.705 177.210 175.510 -0.009 0.000 1.030 44 N CA 1.745 54.866 53.050 0.118 0.000 0.856 44 N CB -0.356 38.185 38.487 0.090 0.000 1.023 44 N HN 0.805 nan 8.380 nan 0.000 0.424 45 Q N -0.117 119.551 119.800 -0.219 0.000 2.488 45 Q HA -0.040 4.302 4.340 0.003 0.000 0.211 45 Q C 0.274 175.936 176.000 -0.563 0.000 0.967 45 Q CA 0.986 56.538 55.803 -0.419 0.000 0.926 45 Q CB -0.017 28.375 28.738 -0.577 0.000 0.992 45 Q HN 0.371 nan 8.270 nan 0.000 0.506 46 F N 0.492 120.405 119.950 -0.062 0.000 2.654 46 F HA 0.343 4.872 4.527 0.003 0.000 0.303 46 F C 1.716 177.503 175.800 -0.021 0.000 1.099 46 F CA -0.756 57.138 58.000 -0.177 0.000 1.270 46 F CB 0.309 39.130 39.000 -0.298 0.000 1.024 46 F HN -0.001 nan 8.300 nan 0.000 0.548 47 K N 0.920 121.459 120.400 0.232 0.000 2.020 47 K HA -0.227 4.095 4.320 0.003 0.000 0.212 47 K C 1.154 177.878 176.600 0.206 0.000 1.050 47 K CA 2.329 58.795 56.287 0.299 0.000 0.929 47 K CB -0.111 32.500 32.500 0.185 0.000 0.714 47 K HN 0.082 nan 8.250 nan 0.000 0.443 48 D N 0.123 120.567 120.400 0.074 0.000 2.264 48 D HA -0.090 4.552 4.640 0.003 0.000 0.208 48 D C 1.875 178.149 176.300 -0.043 0.000 0.966 48 D CA 0.654 54.668 54.000 0.022 0.000 0.864 48 D CB 0.089 40.881 40.800 -0.013 0.000 0.933 48 D HN 0.079 nan 8.370 nan 0.000 0.499 49 V N 0.439 120.262 119.914 -0.151 0.000 2.307 49 V HA -0.209 3.912 4.120 0.003 0.000 0.245 49 V C 2.037 177.987 176.094 -0.240 0.000 1.045 49 V CA 1.175 63.256 62.300 -0.366 0.000 1.024 49 V CB -0.609 30.699 31.823 -0.858 0.000 0.651 49 V HN 0.063 nan 8.190 nan 0.000 0.449 50 F N -0.018 119.952 119.950 0.033 0.000 2.216 50 F HA -0.085 4.444 4.527 0.003 0.000 0.300 50 F C 2.069 177.907 175.800 0.064 0.000 1.085 50 F CA 1.203 59.270 58.000 0.112 0.000 1.326 50 F CB -0.679 38.426 39.000 0.176 0.000 1.027 50 F HN 0.054 nan 8.300 nan 0.000 0.497 51 L N -0.826 120.525 121.223 0.213 0.000 2.376 51 L HA 0.088 4.430 4.340 0.003 0.000 0.219 51 L C 1.817 178.727 176.870 0.067 0.000 1.133 51 L CA 0.841 55.758 54.840 0.129 0.000 0.816 51 L CB -0.939 41.182 42.059 0.103 0.000 0.933 51 L HN 0.394 nan 8.230 nan 0.000 0.449 52 G N -0.093 108.724 108.800 0.028 0.000 2.137 52 G HA2 -0.275 3.686 3.960 0.003 0.000 0.237 52 G HA3 -0.275 3.686 3.960 0.003 0.000 0.237 52 G C 0.631 175.516 174.900 -0.025 0.000 1.002 52 G CA 0.317 45.410 45.100 -0.011 0.000 0.702 52 G HN 0.341 nan 8.290 nan 0.000 0.515 53 L N -0.637 120.569 121.223 -0.027 0.000 2.515 53 L HA 0.351 4.692 4.340 0.003 0.000 0.223 53 L C 0.740 177.577 176.870 -0.055 0.000 1.079 53 L CA 0.450 55.273 54.840 -0.029 0.000 0.857 53 L CB 0.370 42.424 42.059 -0.009 0.000 1.050 53 L HN 0.237 nan 8.230 nan 0.000 0.476 54 D N 0.839 121.185 120.400 -0.090 0.000 2.492 54 D HA 0.266 4.908 4.640 0.003 0.000 0.248 54 D C -0.925 175.263 176.300 -0.186 0.000 1.101 54 D CA -0.374 53.551 54.000 -0.124 0.000 0.840 54 D CB 1.654 42.377 40.800 -0.128 0.000 1.209 54 D HN -0.191 nan 8.370 nan 0.000 0.524 55 K N 3.042 123.337 120.400 -0.176 0.000 2.221 55 K HA 0.504 4.826 4.320 0.003 0.000 0.258 55 K C -0.385 176.052 176.600 -0.271 0.000 0.944 55 K CA -0.824 55.331 56.287 -0.221 0.000 0.823 55 K CB 1.145 33.553 32.500 -0.154 0.000 1.113 55 K HN 0.317 nan 8.250 nan 0.000 0.431 56 R N 1.778 122.036 120.500 -0.403 0.000 2.828 56 R HA 0.259 4.601 4.340 0.003 0.000 0.264 56 R C 0.438 176.470 176.300 -0.448 0.000 1.022 56 R CA -0.850 54.909 56.100 -0.568 0.000 1.021 56 R CB 0.553 30.163 30.300 -1.149 0.000 1.163 56 R HN 0.634 nan 8.270 nan 0.000 0.494 57 N N 0.608 119.086 118.700 -0.370 0.000 2.515 57 N HA -0.038 4.704 4.740 0.003 0.000 0.185 57 N C -0.302 175.194 175.510 -0.025 0.000 1.109 57 N CA 0.657 53.633 53.050 -0.123 0.000 0.903 57 N CB -0.079 38.412 38.487 0.007 0.000 0.969 57 N HN 0.437 nan 8.380 nan 0.000 0.450 58 Y N -2.362 117.957 120.300 0.032 0.000 2.524 58 Y HA 0.565 5.117 4.550 0.003 0.000 0.344 58 Y C 0.940 176.901 175.900 0.102 0.000 1.012 58 Y CA -1.413 56.719 58.100 0.054 0.000 1.068 58 Y CB 0.935 39.440 38.460 0.074 0.000 1.249 58 Y HN -0.120 nan 8.280 nan 0.000 0.468 59 S N 0.711 116.555 115.700 0.240 0.000 2.539 59 S HA 0.339 4.811 4.470 0.003 0.000 0.221 59 S C -0.010 174.648 174.600 0.097 0.000 0.987 59 S CA -0.528 57.794 58.200 0.202 0.000 0.929 59 S CB -0.284 62.962 63.200 0.076 0.000 0.832 59 S HN 0.815 nan 8.310 nan 0.000 0.492 60 R N -0.124 120.424 120.500 0.080 0.000 2.626 60 R HA 0.881 5.223 4.340 0.003 0.000 0.274 60 R C -1.259 175.019 176.300 -0.037 0.000 1.031 60 R CA -0.881 55.102 56.100 -0.194 0.000 0.898 60 R CB 1.384 31.426 30.300 -0.430 0.000 1.222 60 R HN 0.135 nan 8.270 nan 0.000 0.455 61 A N 0.814 123.645 122.820 0.019 0.000 2.594 61 A HA 0.816 5.138 4.320 0.003 0.000 0.291 61 A C -1.291 176.448 177.584 0.257 0.000 1.105 61 A CA -0.743 51.361 52.037 0.112 0.000 0.694 61 A CB 2.422 21.445 19.000 0.038 0.000 1.291 61 A HN 0.708 nan 8.150 nan 0.000 0.410 62 T N 0.160 114.855 114.554 0.235 0.000 2.993 62 T HA 0.744 5.096 4.350 0.003 0.000 0.312 62 T C -0.816 174.081 174.700 0.329 0.000 1.115 62 T CA 0.422 62.641 62.100 0.198 0.000 1.027 62 T CB 1.325 70.204 68.868 0.018 0.000 1.116 62 T HN 1.982 nan 8.240 nan 0.000 0.464 63 T N 0.272 115.074 114.554 0.414 0.000 2.883 63 T HA 0.696 5.048 4.350 0.003 0.000 0.301 63 T C -0.880 173.938 174.700 0.198 0.000 1.158 63 T CA -0.806 61.493 62.100 0.331 0.000 1.007 63 T CB 1.769 70.879 68.868 0.403 0.000 1.186 63 T HN 0.529 nan 8.240 nan 0.000 0.499 64 S N 1.176 116.932 115.700 0.094 0.000 2.532 64 S HA 0.445 4.917 4.470 0.003 0.000 0.318 64 S C -0.707 173.857 174.600 -0.060 0.000 1.083 64 S CA -0.539 57.639 58.200 -0.038 0.000 1.131 64 S CB 0.429 63.600 63.200 -0.048 0.000 0.973 64 S HN 0.799 nan 8.310 nan 0.000 0.468 65 Q N 4.163 123.901 119.800 -0.102 0.000 2.278 65 Q HA 0.384 4.726 4.340 0.003 0.000 0.257 65 Q C -0.020 175.790 176.000 -0.316 0.000 0.928 65 Q CA -0.660 55.060 55.803 -0.138 0.000 0.932 65 Q CB 0.776 29.470 28.738 -0.074 0.000 1.221 65 Q HN 0.774 nan 8.270 nan 0.000 0.434 66 R N 2.052 122.350 120.500 -0.336 0.000 2.442 66 R HA 0.499 4.840 4.340 0.003 0.000 0.291 66 R C -0.921 175.005 176.300 -0.623 0.000 1.069 66 R CA -0.374 55.359 56.100 -0.611 0.000 1.022 66 R CB 0.178 30.192 30.300 -0.477 0.000 0.976 66 R HN 0.530 nan 8.270 nan 0.000 0.443 67 C N 2.752 121.475 119.300 -0.963 0.000 2.634 67 C HA 0.612 5.074 4.460 0.003 0.000 0.313 67 C C -0.460 174.173 174.990 -0.596 0.000 1.198 67 C CA -0.745 57.826 59.018 -0.744 0.000 1.605 67 C CB 1.940 29.048 27.740 -1.053 0.000 2.196 67 C HN 0.696 nan 8.230 nan 0.000 0.486 68 V N 2.802 122.606 119.914 -0.183 0.000 2.483 68 V HA 0.507 4.629 4.120 0.003 0.000 0.297 68 V C -0.241 175.982 176.094 0.214 0.000 1.027 68 V CA -0.477 61.846 62.300 0.039 0.000 0.855 68 V CB 1.611 33.427 31.823 -0.012 0.000 0.995 68 V HN 0.827 nan 8.190 nan 0.000 0.424 69 R N 3.783 124.473 120.500 0.315 0.000 2.505 69 R HA 0.651 4.993 4.340 0.003 0.000 0.284 69 R C 0.192 176.662 176.300 0.284 0.000 1.324 69 R CA -0.102 56.204 56.100 0.344 0.000 1.432 69 R CB 1.344 31.898 30.300 0.422 0.000 1.107 69 R HN 0.783 nan 8.270 nan 0.000 0.587 70 A N 0.953 123.938 122.820 0.275 0.000 2.592 70 A HA 0.514 4.836 4.320 0.003 0.000 0.290 70 A C 0.155 177.859 177.584 0.200 0.000 0.998 70 A CA -0.101 52.067 52.037 0.219 0.000 0.983 70 A CB 1.010 20.128 19.000 0.198 0.000 1.240 70 A HN 0.684 nan 8.150 nan 0.000 0.535 71 G N -2.493 106.419 108.800 0.187 0.000 2.325 71 G HA2 0.611 4.573 3.960 0.003 0.000 0.297 71 G HA3 0.611 4.573 3.960 0.003 0.000 0.297 71 G C 0.369 175.318 174.900 0.082 0.000 1.448 71 G CA 0.627 45.795 45.100 0.113 0.000 0.838 71 G HN 2.003 nan 8.290 nan 0.000 0.579 72 G N 0.266 109.081 108.800 0.025 0.000 2.528 72 G HA2 -0.056 3.906 3.960 0.003 0.000 0.262 72 G HA3 -0.056 3.906 3.960 0.003 0.000 0.262 72 G C 1.234 176.114 174.900 -0.033 0.000 1.200 72 G CA 1.149 46.245 45.100 -0.006 0.000 0.951 72 G HN 1.716 nan 8.290 nan 0.000 0.566 73 K N 0.203 120.552 120.400 -0.085 0.000 2.057 73 K HA 0.010 4.332 4.320 0.003 0.000 0.206 73 K C 0.990 177.360 176.600 -0.384 0.000 1.050 73 K CA 1.931 58.053 56.287 -0.276 0.000 0.935 73 K CB -0.138 32.121 32.500 -0.402 0.000 0.715 73 K HN 0.612 nan 8.250 nan 0.000 0.439 74 H N 0.302 119.417 119.070 0.075 0.000 2.685 74 H HA 0.273 4.831 4.556 0.003 0.000 0.307 74 H C -1.096 174.320 175.328 0.145 0.000 1.017 74 H CA -0.671 55.452 56.048 0.124 0.000 1.237 74 H CB 0.869 30.747 29.762 0.193 0.000 1.409 74 H HN 0.072 nan 8.280 nan 0.000 0.488 75 N N 2.732 121.551 118.700 0.198 0.000 2.540 75 N HA 0.082 4.824 4.740 0.003 0.000 0.275 75 N C -0.568 175.017 175.510 0.125 0.000 1.053 75 N CA -0.384 52.762 53.050 0.160 0.000 0.876 75 N CB 1.109 39.657 38.487 0.102 0.000 1.284 75 N HN 0.428 nan 8.380 nan 0.000 0.518 76 D N 3.130 123.619 120.400 0.148 0.000 2.440 76 D HA 0.004 4.646 4.640 0.003 0.000 0.216 76 D C 1.662 178.022 176.300 0.100 0.000 1.150 76 D CA -0.212 53.838 54.000 0.082 0.000 0.832 76 D CB 0.869 41.749 40.800 0.133 0.000 0.992 76 D HN 0.403 nan 8.370 nan 0.000 0.502 77 L N 1.549 122.847 121.223 0.124 0.000 2.013 77 L HA -0.182 4.160 4.340 0.003 0.000 0.212 77 L C 1.720 178.676 176.870 0.143 0.000 1.073 77 L CA 1.966 56.893 54.840 0.144 0.000 0.753 77 L CB -0.164 41.959 42.059 0.105 0.000 0.890 77 L HN -0.150 nan 8.230 nan 0.000 0.432 78 E N -0.453 119.795 120.200 0.079 0.000 2.482 78 E HA -0.064 4.288 4.350 0.003 0.000 0.196 78 E C 1.606 178.236 176.600 0.050 0.000 1.047 78 E CA 0.320 56.756 56.400 0.060 0.000 0.869 78 E CB -0.407 29.287 29.700 -0.011 0.000 0.836 78 E HN 0.627 nan 8.360 nan 0.000 0.520 79 N N 0.365 119.079 118.700 0.024 0.000 2.416 79 N HA -0.027 4.715 4.740 0.003 0.000 0.177 79 N C 0.404 176.034 175.510 0.199 0.000 1.036 79 N CA 0.132 53.182 53.050 0.000 0.000 0.901 79 N CB 0.474 38.728 38.487 -0.389 0.000 0.976 79 N HN -0.035 nan 8.380 nan 0.000 0.444 80 V N 0.850 120.896 119.914 0.220 0.000 2.540 80 V HA 0.221 4.343 4.120 0.003 0.000 0.297 80 V C 1.534 177.679 176.094 0.086 0.000 1.024 80 V CA 0.971 63.398 62.300 0.211 0.000 1.105 80 V CB 0.354 32.338 31.823 0.268 0.000 0.938 80 V HN 0.598 nan 8.190 nan 0.000 0.482 81 G N 3.952 112.716 108.800 -0.060 0.000 2.225 81 G HA2 -0.333 3.629 3.960 0.003 0.000 0.254 81 G HA3 -0.333 3.629 3.960 0.003 0.000 0.254 81 G C 0.408 175.086 174.900 -0.370 0.000 0.988 81 G CA 0.687 45.592 45.100 -0.324 0.000 0.625 81 G HN 0.729 nan 8.290 nan 0.000 0.527 82 Y N 1.358 121.644 120.300 -0.023 0.000 2.462 82 Y HA 0.392 4.944 4.550 0.003 0.000 0.253 82 Y C 1.845 177.760 175.900 0.025 0.000 1.095 82 Y CA 1.129 59.223 58.100 -0.009 0.000 1.283 82 Y CB 0.818 39.274 38.460 -0.007 0.000 1.138 82 Y HN 0.522 nan 8.280 nan 0.000 0.522 83 T N -3.696 110.976 114.554 0.197 0.000 2.901 83 T HA 0.690 5.042 4.350 0.003 0.000 0.293 83 T C 0.666 175.443 174.700 0.129 0.000 1.084 83 T CA -0.428 61.778 62.100 0.177 0.000 1.008 83 T CB 1.875 70.922 68.868 0.298 0.000 1.170 83 T HN -0.052 nan 8.240 nan 0.000 0.509 84 A N 0.441 123.303 122.820 0.069 0.000 2.251 84 A HA 0.253 4.575 4.320 0.003 0.000 0.209 84 A C 1.883 179.402 177.584 -0.109 0.000 1.187 84 A CA 0.317 52.384 52.037 0.051 0.000 0.823 84 A CB -0.565 18.432 19.000 -0.004 0.000 0.846 84 A HN 0.884 nan 8.150 nan 0.000 0.486 85 R N -1.760 118.623 120.500 -0.195 0.000 2.521 85 R HA 0.235 4.577 4.340 0.003 0.000 0.289 85 R C -0.678 175.216 176.300 -0.675 0.000 0.936 85 R CA -0.239 55.603 56.100 -0.430 0.000 1.089 85 R CB -0.116 29.953 30.300 -0.386 0.000 1.348 85 R HN 0.449 nan 8.270 nan 0.000 0.536 86 H N 1.184 120.037 119.070 -0.362 0.000 2.459 86 H HA 0.442 5.000 4.556 0.003 0.000 0.332 86 H C -0.629 174.484 175.328 -0.359 0.000 1.094 86 H CA -0.496 55.357 56.048 -0.325 0.000 1.224 86 H CB 0.946 30.658 29.762 -0.083 0.000 1.449 86 H HN 0.116 nan 8.280 nan 0.000 0.484 87 H N 0.158 119.296 119.070 0.113 0.000 2.855 87 H HA 0.146 4.704 4.556 0.003 0.000 0.363 87 H C 0.814 176.320 175.328 0.296 0.000 1.185 87 H CA -0.378 55.806 56.048 0.227 0.000 1.174 87 H CB 1.623 31.540 29.762 0.259 0.000 1.857 87 H HN 0.753 nan 8.280 nan 0.000 0.565 88 T N -1.474 113.379 114.554 0.497 0.000 2.781 88 T HA -0.008 4.344 4.350 0.003 0.000 0.252 88 T C 0.810 175.791 174.700 0.468 0.000 1.039 88 T CA 0.369 62.713 62.100 0.406 0.000 1.147 88 T CB -0.132 68.913 68.868 0.296 0.000 0.865 88 T HN 0.297 nan 8.240 nan 0.000 0.423 89 F N 3.317 123.449 119.950 0.304 0.000 2.408 89 F HA 0.555 5.084 4.527 0.003 0.000 0.344 89 F C -0.908 175.064 175.800 0.288 0.000 1.112 89 F CA -1.950 56.152 58.000 0.171 0.000 1.096 89 F CB 0.841 39.864 39.000 0.038 0.000 1.129 89 F HN 0.348 nan 8.300 nan 0.000 0.486 90 F N 2.105 121.718 119.950 -0.561 0.000 2.713 90 F HA 0.550 5.079 4.527 0.003 0.000 0.311 90 F C -1.786 173.659 175.800 -0.591 0.000 1.141 90 F CA -1.243 56.541 58.000 -0.360 0.000 0.939 90 F CB 1.108 40.109 39.000 0.002 0.000 1.325 90 F HN 0.349 nan 8.300 nan 0.000 0.453 91 E N 2.248 122.264 120.200 -0.307 0.000 2.191 91 E HA 0.413 4.765 4.350 0.003 0.000 0.278 91 E C -1.256 175.216 176.600 -0.213 0.000 0.972 91 E CA -0.948 55.224 56.400 -0.380 0.000 0.804 91 E CB 2.206 31.759 29.700 -0.244 0.000 1.110 91 E HN 0.696 nan 8.360 nan 0.000 0.394 92 M N 4.778 124.195 119.600 -0.306 0.000 2.114 92 M HA 0.313 4.795 4.480 0.003 0.000 0.332 92 M C -1.557 174.569 176.300 -0.290 0.000 1.014 92 M CA -0.614 54.563 55.300 -0.204 0.000 0.956 92 M CB 0.527 33.033 32.600 -0.158 0.000 1.551 92 M HN 0.406 nan 8.290 nan 0.000 0.427 93 L N 4.951 125.871 121.223 -0.504 0.000 2.290 93 L HA 0.678 5.020 4.340 0.003 0.000 0.284 93 L C 0.474 176.904 176.870 -0.733 0.000 1.078 93 L CA -0.490 53.797 54.840 -0.922 0.000 0.815 93 L CB 0.797 41.794 42.059 -1.771 0.000 1.162 93 L HN 0.835 nan 8.230 nan 0.000 0.435 94 G N 2.766 111.383 108.800 -0.305 0.000 2.620 94 G HA2 0.455 4.417 3.960 0.003 0.000 0.301 94 G HA3 0.455 4.417 3.960 0.003 0.000 0.301 94 G C -1.468 173.157 174.900 -0.459 0.000 1.347 94 G CA -0.650 44.266 45.100 -0.306 0.000 0.971 94 G HN 0.623 nan 8.290 nan 0.000 0.488 95 N N -0.173 118.020 118.700 -0.845 0.000 2.319 95 N HA 0.704 5.446 4.740 0.003 0.000 0.305 95 N C -1.729 173.172 175.510 -1.016 0.000 1.103 95 N CA -0.591 51.833 53.050 -1.043 0.000 0.815 95 N CB 2.427 39.919 38.487 -1.658 0.000 1.288 95 N HN 0.227 nan 8.380 nan 0.000 0.493 96 F N -0.363 119.468 119.950 -0.198 0.000 2.556 96 F HA 0.405 4.934 4.527 0.003 0.000 0.314 96 F C 0.273 175.666 175.800 -0.677 0.000 1.106 96 F CA -0.906 56.856 58.000 -0.397 0.000 0.911 96 F CB 2.309 40.923 39.000 -0.642 0.000 1.190 96 F HN 0.470 nan 8.300 nan 0.000 0.448 97 S N 3.164 118.560 115.700 -0.508 0.000 2.596 97 S HA 0.594 5.066 4.470 0.003 0.000 0.318 97 S C -1.097 173.214 174.600 -0.481 0.000 1.097 97 S CA -0.460 57.328 58.200 -0.686 0.000 1.080 97 S CB -0.037 62.561 63.200 -1.003 0.000 0.991 97 S HN 0.475 nan 8.310 nan 0.000 0.471 98 F N 3.687 123.550 119.950 -0.145 0.000 2.425 98 F HA 0.417 4.946 4.527 0.003 0.000 0.354 98 F C 1.604 177.336 175.800 -0.114 0.000 1.162 98 F CA -0.319 57.583 58.000 -0.163 0.000 1.250 98 F CB 0.467 39.314 39.000 -0.255 0.000 1.579 98 F HN 0.905 nan 8.300 nan 0.000 0.589 99 G N 1.307 110.131 108.800 0.039 0.000 2.273 99 G HA2 -0.309 3.653 3.960 0.003 0.000 0.280 99 G HA3 -0.309 3.653 3.960 0.003 0.000 0.280 99 G C 0.321 175.194 174.900 -0.045 0.000 1.047 99 G CA 0.605 45.691 45.100 -0.025 0.000 0.869 99 G HN 0.566 nan 8.290 nan 0.000 0.502 100 D N -0.550 119.792 120.400 -0.096 0.000 2.685 100 D HA 0.236 4.878 4.640 0.003 0.000 0.254 100 D C 1.279 177.584 176.300 0.009 0.000 1.414 100 D CA 0.679 54.642 54.000 -0.062 0.000 1.145 100 D CB 0.164 40.895 40.800 -0.115 0.000 0.941 100 D HN 0.461 nan 8.370 nan 0.000 0.250 101 Y N -1.164 119.195 120.300 0.099 0.000 2.480 101 Y HA 0.534 5.086 4.550 0.003 0.000 0.323 101 Y C -0.172 175.882 175.900 0.257 0.000 1.267 101 Y CA -1.069 57.113 58.100 0.136 0.000 1.336 101 Y CB 0.404 38.944 38.460 0.134 0.000 1.361 101 Y HN 0.101 nan 8.280 nan 0.000 0.518 102 F N -0.097 119.971 119.950 0.196 0.000 3.345 102 F HA 0.439 4.967 4.527 0.003 0.000 0.253 102 F C 1.366 177.216 175.800 0.084 0.000 1.576 102 F CA -1.386 56.661 58.000 0.079 0.000 0.970 102 F CB 0.376 39.358 39.000 -0.029 0.000 1.808 102 F HN 0.476 nan 8.300 nan 0.000 0.354 103 K N 0.311 120.337 120.400 -0.624 0.000 2.009 103 K HA -0.164 4.158 4.320 0.003 0.000 0.210 103 K C 1.686 178.078 176.600 -0.347 0.000 1.049 103 K CA 2.078 57.871 56.287 -0.823 0.000 0.929 103 K CB -0.689 31.103 32.500 -1.179 0.000 0.714 103 K HN 0.318 nan 8.250 nan 0.000 0.440 104 L N 2.055 123.116 121.223 -0.270 0.000 1.994 104 L HA -0.180 4.162 4.340 0.003 0.000 0.208 104 L C 1.623 178.337 176.870 -0.259 0.000 1.071 104 L CA 1.967 56.650 54.840 -0.262 0.000 0.745 104 L CB -0.547 41.389 42.059 -0.205 0.000 0.892 104 L HN 0.149 nan 8.230 nan 0.000 0.431 105 D N -0.363 119.914 120.400 -0.206 0.000 2.178 105 D HA -0.100 4.542 4.640 0.003 0.000 0.202 105 D C 2.115 178.187 176.300 -0.380 0.000 0.974 105 D CA 1.264 55.013 54.000 -0.419 0.000 0.841 105 D CB 0.098 40.617 40.800 -0.468 0.000 0.953 105 D HN 0.518 nan 8.370 nan 0.000 0.478 106 A N 1.014 123.857 122.820 0.038 0.000 1.877 106 A HA -0.139 4.183 4.320 0.003 0.000 0.216 106 A C 2.340 179.916 177.584 -0.013 0.000 1.186 106 A CA 0.830 52.997 52.037 0.216 0.000 0.620 106 A CB -0.653 18.547 19.000 0.333 0.000 0.822 106 A HN 0.159 nan 8.150 nan 0.000 0.443 107 I N -0.309 120.161 120.570 -0.167 0.000 2.226 107 I HA -0.246 3.926 4.170 0.003 0.000 0.245 107 I C 2.366 178.312 176.117 -0.285 0.000 1.100 107 I CA 1.020 62.097 61.300 -0.372 0.000 1.374 107 I CB -0.288 37.252 38.000 -0.767 0.000 1.057 107 I HN 0.301 nan 8.210 nan 0.000 0.413 108 L N -0.388 120.666 121.223 -0.281 0.000 2.046 108 L HA -0.212 4.130 4.340 0.003 0.000 0.208 108 L C 2.553 179.395 176.870 -0.045 0.000 1.077 108 L CA 1.587 56.314 54.840 -0.188 0.000 0.747 108 L CB -0.674 41.202 42.059 -0.305 0.000 0.896 108 L HN 0.157 nan 8.230 nan 0.000 0.432 109 F N 0.076 119.998 119.950 -0.046 0.000 2.095 109 F HA -0.310 4.219 4.527 0.003 0.000 0.298 109 F C 2.682 178.453 175.800 -0.048 0.000 1.104 109 F CA 0.835 58.850 58.000 0.025 0.000 1.232 109 F CB -0.339 38.746 39.000 0.140 0.000 0.987 109 F HN 0.081 nan 8.300 nan 0.000 0.475 110 A N 0.072 122.920 122.820 0.048 0.000 1.877 110 A HA -0.254 4.067 4.320 0.003 0.000 0.216 110 A C 2.113 179.709 177.584 0.020 0.000 1.186 110 A CA 1.307 53.154 52.037 -0.316 0.000 0.620 110 A CB -1.498 16.985 19.000 -0.862 0.000 0.822 110 A HN 0.711 nan 8.150 nan 0.000 0.443 111 W N 0.123 121.393 121.300 -0.050 0.000 2.358 111 W HA -0.190 4.472 4.660 0.003 0.000 0.303 111 W C 1.811 178.343 176.519 0.021 0.000 1.208 111 W CA 1.739 59.123 57.345 0.066 0.000 1.274 111 W CB -0.208 29.307 29.460 0.093 0.000 1.138 111 W HN 0.359 nan 8.180 nan 0.000 0.515 112 L N 1.064 122.321 121.223 0.057 0.000 2.017 112 L HA -0.226 4.116 4.340 0.003 0.000 0.208 112 L C 2.545 179.231 176.870 -0.306 0.000 1.073 112 L CA 1.887 56.701 54.840 -0.042 0.000 0.745 112 L CB -1.470 40.656 42.059 0.111 0.000 0.894 112 L HN 0.035 nan 8.230 nan 0.000 0.432 113 L N -1.008 119.792 121.223 -0.705 0.000 2.046 113 L HA -0.193 4.149 4.340 0.003 0.000 0.208 113 L C 2.250 178.783 176.870 -0.561 0.000 1.077 113 L CA 1.827 55.939 54.840 -1.214 0.000 0.747 113 L CB -0.563 40.484 42.059 -1.686 0.000 0.896 113 L HN 0.284 nan 8.230 nan 0.000 0.432 114 L N -1.103 119.990 121.223 -0.215 0.000 2.072 114 L HA -0.124 4.218 4.340 0.003 0.000 0.205 114 L C 2.170 178.971 176.870 -0.115 0.000 1.079 114 L CA 1.776 56.609 54.840 -0.010 0.000 0.752 114 L CB -0.830 41.268 42.059 0.066 0.000 0.906 114 L HN 0.548 nan 8.230 nan 0.000 0.436 115 T N -5.657 108.698 114.554 -0.333 0.000 2.985 115 T HA 0.066 4.418 4.350 0.003 0.000 0.254 115 T C 0.926 175.528 174.700 -0.163 0.000 1.021 115 T CA -0.094 61.784 62.100 -0.369 0.000 0.957 115 T CB 0.199 68.546 68.868 -0.867 0.000 1.047 115 T HN 0.066 nan 8.240 nan 0.000 0.511 116 S N 2.099 117.764 115.700 -0.059 0.000 2.549 116 S HA 0.056 4.528 4.470 0.003 0.000 0.283 116 S C 1.532 176.171 174.600 0.064 0.000 1.320 116 S CA -0.061 58.180 58.200 0.069 0.000 1.058 116 S CB 0.775 64.136 63.200 0.267 0.000 0.882 116 S HN 0.642 nan 8.310 nan 0.000 0.498 117 E N 3.905 124.121 120.200 0.027 0.000 2.209 117 E HA -0.208 4.144 4.350 0.003 0.000 0.196 117 E C 1.286 177.852 176.600 -0.058 0.000 0.993 117 E CA 1.202 57.601 56.400 -0.003 0.000 0.819 117 E CB -0.141 29.554 29.700 -0.008 0.000 0.745 117 E HN 0.725 nan 8.360 nan 0.000 0.477 118 K N -0.605 119.724 120.400 -0.117 0.000 2.296 118 K HA -0.023 4.299 4.320 0.003 0.000 0.200 118 K C 0.455 176.665 176.600 -0.650 0.000 1.048 118 K CA 1.076 57.122 56.287 -0.402 0.000 0.966 118 K CB 0.065 32.263 32.500 -0.503 0.000 0.754 118 K HN 0.232 nan 8.250 nan 0.000 0.466 119 W N -1.211 120.064 121.300 -0.042 0.000 4.355 119 W HA 0.214 4.876 4.660 0.003 0.000 0.643 119 W C 1.274 177.832 176.519 0.064 0.000 3.363 119 W CA -0.835 56.454 57.345 -0.092 0.000 1.119 119 W CB -0.689 28.571 29.460 -0.332 0.000 2.245 119 W HN -0.304 nan 8.180 nan 0.000 0.392 120 F N 1.071 121.121 119.950 0.166 0.000 2.407 120 F HA 0.159 4.688 4.527 0.003 0.000 0.299 120 F C 1.920 177.712 175.800 -0.014 0.000 1.097 120 F CA 0.927 58.943 58.000 0.027 0.000 1.422 120 F CB -1.589 37.390 39.000 -0.035 0.000 1.067 120 F HN 0.251 nan 8.300 nan 0.000 0.539 121 A N 0.509 123.428 122.820 0.165 0.000 2.822 121 A HA -0.249 4.072 4.320 0.003 0.000 0.287 121 A C 0.413 178.024 177.584 0.045 0.000 1.479 121 A CA 0.212 52.291 52.037 0.069 0.000 0.779 121 A CB -2.524 16.515 19.000 0.065 0.000 1.022 121 A HN 0.269 nan 8.150 nan 0.000 0.532 122 L N -0.381 120.859 121.223 0.028 0.000 2.439 122 L HA 0.292 4.634 4.340 0.003 0.000 0.269 122 L C -1.782 175.113 176.870 0.042 0.000 1.179 122 L CA -1.791 53.070 54.840 0.035 0.000 0.828 122 L CB 0.224 42.302 42.059 0.031 0.000 1.106 122 L HN 0.135 nan 8.230 nan 0.000 0.467 123 P HA 0.053 nan 4.420 nan 0.000 0.264 123 P C -0.024 177.324 177.300 0.081 0.000 1.229 123 P CA 0.039 63.192 63.100 0.088 0.000 0.780 123 P CB 0.390 32.154 31.700 0.106 0.000 0.808 124 K N 3.014 123.446 120.400 0.055 0.000 2.152 124 K HA -0.189 4.133 4.320 0.003 0.000 0.206 124 K C 1.702 178.393 176.600 0.151 0.000 1.048 124 K CA 1.296 57.657 56.287 0.124 0.000 0.933 124 K CB 0.002 32.636 32.500 0.223 0.000 0.721 124 K HN 0.579 nan 8.250 nan 0.000 0.447 125 E N 1.250 121.494 120.200 0.074 0.000 2.338 125 E HA -0.193 4.159 4.350 0.003 0.000 0.197 125 E C 1.219 177.816 176.600 -0.005 0.000 1.007 125 E CA 1.040 57.449 56.400 0.014 0.000 0.849 125 E CB -0.071 29.631 29.700 0.003 0.000 0.774 125 E HN 0.327 nan 8.360 nan 0.000 0.506 126 R N 0.389 120.895 120.500 0.009 0.000 2.334 126 R HA 0.333 4.675 4.340 0.003 0.000 0.216 126 R C 0.382 176.735 176.300 0.088 0.000 0.905 126 R CA -0.116 55.947 56.100 -0.062 0.000 1.064 126 R CB 0.312 30.378 30.300 -0.392 0.000 1.046 126 R HN 0.087 nan 8.270 nan 0.000 0.508 127 L N 0.965 122.298 121.223 0.185 0.000 2.275 127 L HA 0.332 4.673 4.340 0.003 0.000 0.288 127 L C -0.845 176.168 176.870 0.238 0.000 1.046 127 L CA -0.612 54.425 54.840 0.328 0.000 0.805 127 L CB 0.734 43.032 42.059 0.398 0.000 1.193 127 L HN -0.071 nan 8.230 nan 0.000 0.426 128 W N 3.025 124.392 121.300 0.112 0.000 2.706 128 W HA 0.679 5.341 4.660 0.003 0.000 0.346 128 W C -0.541 175.949 176.519 -0.048 0.000 1.071 128 W CA -0.747 56.596 57.345 -0.003 0.000 1.206 128 W CB 1.797 31.253 29.460 -0.007 0.000 1.413 128 W HN 0.175 nan 8.180 nan 0.000 0.542 129 V N -0.617 119.271 119.914 -0.043 0.000 2.823 129 V HA 0.936 5.058 4.120 0.003 0.000 0.312 129 V C -0.380 175.664 176.094 -0.083 0.000 1.072 129 V CA -0.993 61.160 62.300 -0.246 0.000 0.937 129 V CB 1.188 32.315 31.823 -1.160 0.000 1.013 129 V HN 0.598 nan 8.190 nan 0.000 0.430 130 T N 0.783 115.378 114.554 0.069 0.000 2.887 130 T HA 0.874 5.226 4.350 0.003 0.000 0.288 130 T C -0.341 174.481 174.700 0.204 0.000 1.021 130 T CA -0.276 61.905 62.100 0.135 0.000 1.000 130 T CB 1.508 70.505 68.868 0.214 0.000 1.034 130 T HN 2.032 nan 8.240 nan 0.000 0.467 131 V N 0.135 120.201 119.914 0.252 0.000 3.040 131 V HA 0.665 4.787 4.120 0.003 0.000 0.312 131 V C -0.873 175.451 176.094 0.384 0.000 1.115 131 V CA -1.513 60.998 62.300 0.351 0.000 0.998 131 V CB 1.429 33.491 31.823 0.397 0.000 1.042 131 V HN 0.899 nan 8.190 nan 0.000 0.433 132 Y N 1.436 121.898 120.300 0.269 0.000 2.526 132 Y HA 0.184 4.736 4.550 0.003 0.000 0.330 132 Y C 1.698 177.726 175.900 0.213 0.000 1.156 132 Y CA 0.515 58.769 58.100 0.256 0.000 1.419 132 Y CB 0.973 39.624 38.460 0.317 0.000 1.250 132 Y HN 1.051 nan 8.280 nan 0.000 0.540 133 E N 1.843 121.985 120.200 -0.096 0.000 2.114 133 E HA -0.250 4.102 4.350 0.003 0.000 0.199 133 E C 1.667 178.202 176.600 -0.109 0.000 1.008 133 E CA 1.943 58.278 56.400 -0.109 0.000 0.810 133 E CB 0.096 29.689 29.700 -0.178 0.000 0.739 133 E HN 0.743 nan 8.360 nan 0.000 0.456 134 S N -0.247 115.326 115.700 -0.212 0.000 2.562 134 S HA -0.051 4.421 4.470 0.003 0.000 0.221 134 S C 0.722 175.376 174.600 0.089 0.000 0.975 134 S CA 0.138 58.301 58.200 -0.063 0.000 0.918 134 S CB 0.299 63.455 63.200 -0.074 0.000 0.772 134 S HN 0.096 nan 8.310 nan 0.000 0.531 135 D N 2.435 122.943 120.400 0.180 0.000 2.558 135 D HA 0.184 4.826 4.640 0.003 0.000 0.221 135 D C 0.036 176.449 176.300 0.187 0.000 1.143 135 D CA -0.167 53.977 54.000 0.240 0.000 1.010 135 D CB 0.063 41.084 40.800 0.367 0.000 1.068 135 D HN 0.098 nan 8.370 nan 0.000 0.511 136 D N 1.517 121.988 120.400 0.118 0.000 2.178 136 D HA -0.138 4.504 4.640 0.003 0.000 0.201 136 D C 1.527 177.898 176.300 0.117 0.000 0.980 136 D CA 0.811 54.867 54.000 0.094 0.000 0.842 136 D CB 0.364 41.184 40.800 0.033 0.000 0.948 136 D HN 0.591 nan 8.370 nan 0.000 0.472 137 E N 0.728 120.971 120.200 0.072 0.000 2.051 137 E HA -0.121 4.231 4.350 0.003 0.000 0.192 137 E C 2.141 178.736 176.600 -0.007 0.000 0.991 137 E CA 1.043 57.447 56.400 0.007 0.000 0.799 137 E CB -0.046 29.619 29.700 -0.058 0.000 0.748 137 E HN 0.185 nan 8.360 nan 0.000 0.449 138 A N 0.748 123.590 122.820 0.036 0.000 1.902 138 A HA -0.219 4.103 4.320 0.003 0.000 0.217 138 A C 2.021 179.721 177.584 0.193 0.000 1.181 138 A CA 1.337 53.419 52.037 0.074 0.000 0.623 138 A CB -0.822 18.343 19.000 0.275 0.000 0.818 138 A HN 0.396 nan 8.150 nan 0.000 0.443 139 Y N 0.380 120.772 120.300 0.153 0.000 2.128 139 Y HA -0.243 4.309 4.550 0.003 0.000 0.284 139 Y C 2.572 178.530 175.900 0.097 0.000 1.154 139 Y CA 2.310 60.508 58.100 0.163 0.000 1.149 139 Y CB -0.041 38.482 38.460 0.105 0.000 0.976 139 Y HN 0.409 nan 8.280 nan 0.000 0.505 140 E N 0.762 121.120 120.200 0.263 0.000 2.085 140 E HA -0.231 4.120 4.350 0.003 0.000 0.194 140 E C 2.151 178.739 176.600 -0.020 0.000 0.994 140 E CA 1.872 58.348 56.400 0.126 0.000 0.801 140 E CB -0.416 29.329 29.700 0.076 0.000 0.743 140 E HN 0.679 nan 8.360 nan 0.000 0.453 141 I N -0.562 119.948 120.570 -0.101 0.000 2.163 141 I HA -0.280 3.892 4.170 0.003 0.000 0.243 141 I C 2.363 178.307 176.117 -0.289 0.000 1.085 141 I CA 1.484 62.634 61.300 -0.250 0.000 1.347 141 I CB -0.453 37.309 38.000 -0.396 0.000 1.044 141 I HN 0.206 nan 8.210 nan 0.000 0.408 142 W N 0.937 122.104 121.300 -0.222 0.000 2.355 142 W HA -0.198 4.463 4.660 0.003 0.000 0.309 142 W C 2.688 178.997 176.519 -0.350 0.000 1.206 142 W CA 1.195 58.344 57.345 -0.327 0.000 1.284 142 W CB -0.193 29.067 29.460 -0.335 0.000 1.145 142 W HN 0.157 nan 8.180 nan 0.000 0.502 143 E N 0.656 120.797 120.200 -0.098 0.000 2.047 143 E HA -0.203 4.149 4.350 0.003 0.000 0.191 143 E C 1.778 178.327 176.600 -0.084 0.000 0.987 143 E CA 1.328 57.648 56.400 -0.134 0.000 0.799 143 E CB -0.023 29.602 29.700 -0.125 0.000 0.752 143 E HN 0.246 nan 8.360 nan 0.000 0.449 144 K N -0.683 119.675 120.400 -0.069 0.000 2.287 144 K HA 0.046 4.368 4.320 0.003 0.000 0.199 144 K C 2.047 178.596 176.600 -0.085 0.000 1.061 144 K CA 0.270 56.522 56.287 -0.058 0.000 0.976 144 K CB 0.347 32.828 32.500 -0.031 0.000 0.898 144 K HN -0.017 nan 8.250 nan 0.000 0.492 145 E N 0.704 120.829 120.200 -0.125 0.000 2.086 145 E HA -0.048 4.304 4.350 0.003 0.000 0.190 145 E C 2.142 178.642 176.600 -0.167 0.000 0.975 145 E CA 0.917 57.229 56.400 -0.147 0.000 0.813 145 E CB 0.070 29.655 29.700 -0.191 0.000 0.768 145 E HN -0.005 nan 8.360 nan 0.000 0.457 146 V N -0.236 119.537 119.914 -0.235 0.000 2.426 146 V HA 0.097 4.219 4.120 0.003 0.000 0.242 146 V C 1.483 177.442 176.094 -0.226 0.000 1.036 146 V CA 1.297 63.407 62.300 -0.318 0.000 1.044 146 V CB -0.320 31.181 31.823 -0.537 0.000 0.688 146 V HN 0.476 nan 8.190 nan 0.000 0.462 147 G N 0.670 109.363 108.800 -0.178 0.000 2.141 147 G HA2 -0.161 3.801 3.960 0.003 0.000 0.195 147 G HA3 -0.161 3.801 3.960 0.003 0.000 0.195 147 G C -0.093 174.726 174.900 -0.137 0.000 1.012 147 G CA -0.319 44.711 45.100 -0.116 0.000 0.696 147 G HN 0.277 nan 8.290 nan 0.000 0.508 148 I N 1.053 121.500 120.570 -0.205 0.000 2.598 148 I HA 0.178 4.350 4.170 0.003 0.000 0.284 148 I C -1.524 174.474 176.117 -0.197 0.000 1.140 148 I CA -2.185 58.975 61.300 -0.233 0.000 1.420 148 I CB -0.051 37.753 38.000 -0.326 0.000 1.387 148 I HN -0.071 nan 8.210 nan 0.000 0.553 149 P HA 0.108 nan 4.420 nan 0.000 0.264 149 P C 0.732 177.914 177.300 -0.195 0.000 1.183 149 P CA -0.057 62.945 63.100 -0.164 0.000 0.763 149 P CB 0.439 32.036 31.700 -0.171 0.000 0.807 150 R N 2.656 123.079 120.500 -0.128 0.000 2.159 150 R HA -0.176 4.166 4.340 0.003 0.000 0.237 150 R C 1.844 178.087 176.300 -0.096 0.000 1.131 150 R CA 1.343 57.390 56.100 -0.088 0.000 0.982 150 R CB -0.299 30.018 30.300 0.029 0.000 0.868 150 R HN 0.640 nan 8.270 nan 0.000 0.453 151 E N 0.928 121.047 120.200 -0.134 0.000 2.409 151 E HA -0.182 4.170 4.350 0.003 0.000 0.198 151 E C 0.990 177.416 176.600 -0.290 0.000 1.024 151 E CA 0.993 57.306 56.400 -0.145 0.000 0.861 151 E CB -0.012 29.608 29.700 -0.134 0.000 0.788 151 E HN 0.345 nan 8.360 nan 0.000 0.521 152 R N 0.622 120.853 120.500 -0.448 0.000 2.509 152 R HA 0.393 4.735 4.340 0.003 0.000 0.300 152 R C 0.132 176.250 176.300 -0.304 0.000 0.985 152 R CA -0.118 55.565 56.100 -0.694 0.000 1.092 152 R CB 0.559 30.192 30.300 -1.112 0.000 1.237 152 R HN 0.130 nan 8.270 nan 0.000 0.546 153 I N 1.870 122.313 120.570 -0.211 0.000 2.330 153 I HA 0.350 4.522 4.170 0.003 0.000 0.289 153 I C -0.271 175.855 176.117 0.014 0.000 1.001 153 I CA -0.587 60.602 61.300 -0.186 0.000 1.193 153 I CB 1.484 39.244 38.000 -0.400 0.000 1.345 153 I HN -0.142 nan 8.210 nan 0.000 0.461 154 I N 6.313 126.911 120.570 0.047 0.000 2.406 154 I HA 0.409 4.581 4.170 0.003 0.000 0.290 154 I C 0.039 176.235 176.117 0.133 0.000 0.999 154 I CA -0.643 60.710 61.300 0.090 0.000 1.124 154 I CB 1.416 39.435 38.000 0.031 0.000 1.289 154 I HN 0.459 nan 8.210 nan 0.000 0.441 155 R N 6.447 127.036 120.500 0.148 0.000 2.254 155 R HA 0.564 4.906 4.340 0.003 0.000 0.318 155 R C -0.866 175.497 176.300 0.105 0.000 1.031 155 R CA -0.592 55.596 56.100 0.147 0.000 0.905 155 R CB 1.186 31.548 30.300 0.103 0.000 1.050 155 R HN 0.430 nan 8.270 nan 0.000 0.456 156 I N 2.401 123.059 120.570 0.148 0.000 2.406 156 I HA 0.301 4.473 4.170 0.003 0.000 0.290 156 I C 0.934 177.146 176.117 0.159 0.000 0.999 156 I CA -0.309 61.081 61.300 0.150 0.000 1.124 156 I CB 1.392 39.511 38.000 0.198 0.000 1.289 156 I HN 0.728 nan 8.210 nan 0.000 0.441 157 G N 4.578 113.428 108.800 0.082 0.000 2.630 157 G HA2 0.175 4.137 3.960 0.003 0.000 0.223 157 G HA3 0.175 4.137 3.960 0.003 0.000 0.223 157 G C -0.290 174.705 174.900 0.159 0.000 1.434 157 G CA -0.283 44.827 45.100 0.017 0.000 1.057 157 G HN 0.540 nan 8.290 nan 0.000 0.570 158 D N 1.234 121.692 120.400 0.097 0.000 2.600 158 D HA 0.027 4.669 4.640 0.003 0.000 0.226 158 D C 1.165 177.516 176.300 0.084 0.000 1.119 158 D CA -0.127 53.948 54.000 0.125 0.000 1.051 158 D CB 0.057 40.876 40.800 0.033 0.000 1.106 158 D HN 0.432 nan 8.370 nan 0.000 0.491 159 N N 0.228 118.995 118.700 0.112 0.000 2.521 159 N HA -0.129 4.613 4.740 0.003 0.000 0.188 159 N C 0.684 176.237 175.510 0.072 0.000 1.146 159 N CA 0.229 53.327 53.050 0.081 0.000 0.893 159 N CB 0.226 38.767 38.487 0.090 0.000 0.975 159 N HN 0.152 nan 8.380 nan 0.000 0.451 160 K N -0.359 120.089 120.400 0.079 0.000 2.397 160 K HA 0.228 4.550 4.320 0.003 0.000 0.202 160 K C 0.491 177.114 176.600 0.039 0.000 1.022 160 K CA 0.310 56.635 56.287 0.064 0.000 1.141 160 K CB 0.372 32.919 32.500 0.079 0.000 0.857 160 K HN 0.280 nan 8.250 nan 0.000 0.514 161 G N 0.365 109.182 108.800 0.029 0.000 2.141 161 G HA2 -0.212 3.750 3.960 0.003 0.000 0.231 161 G HA3 -0.212 3.750 3.960 0.003 0.000 0.231 161 G C -0.065 174.834 174.900 -0.002 0.000 0.984 161 G CA -0.019 45.087 45.100 0.011 0.000 0.660 161 G HN 0.484 nan 8.290 nan 0.000 0.525 162 A N -0.900 121.917 122.820 -0.005 0.000 2.606 162 A HA 0.866 5.188 4.320 0.003 0.000 0.293 162 A C -3.091 174.460 177.584 -0.055 0.000 1.082 162 A CA -1.167 50.856 52.037 -0.025 0.000 0.685 162 A CB 1.239 20.232 19.000 -0.011 0.000 1.284 162 A HN 0.093 nan 8.150 nan 0.000 0.408 163 P HA 0.283 nan 4.420 nan 0.000 0.260 163 P C -0.687 176.484 177.300 -0.214 0.000 1.185 163 P CA 1.234 64.181 63.100 -0.254 0.000 0.763 163 P CB -0.261 31.290 31.700 -0.248 0.000 0.776 164 Y N 0.325 120.508 120.300 -0.194 0.000 4.929 164 Y HA -0.268 4.284 4.550 0.003 0.000 0.253 164 Y C 0.898 176.672 175.900 -0.210 0.000 0.946 164 Y CA 0.741 58.561 58.100 -0.466 0.000 1.905 164 Y CB -2.485 35.478 38.460 -0.829 0.000 1.400 164 Y HN 0.451 nan 8.280 nan 0.000 0.531 165 A N 1.006 123.853 122.820 0.046 0.000 2.415 165 A HA 0.669 4.991 4.320 0.003 0.000 0.309 165 A C 0.461 178.128 177.584 0.138 0.000 1.356 165 A CA 0.665 52.754 52.037 0.087 0.000 0.998 165 A CB 0.572 19.601 19.000 0.049 0.000 1.145 165 A HN 0.524 nan 8.150 nan 0.000 0.545 166 S N 1.264 117.085 115.700 0.201 0.000 2.547 166 S HA 0.351 4.823 4.470 0.003 0.000 0.270 166 S C -0.297 174.460 174.600 0.262 0.000 1.150 166 S CA -0.574 57.779 58.200 0.256 0.000 0.850 166 S CB 1.133 64.569 63.200 0.393 0.000 1.118 166 S HN 0.510 nan 8.310 nan 0.000 0.461 167 D N 2.060 122.613 120.400 0.254 0.000 2.310 167 D HA 0.032 4.674 4.640 0.003 0.000 0.212 167 D C 0.377 176.847 176.300 0.284 0.000 0.965 167 D CA 1.004 55.163 54.000 0.264 0.000 0.879 167 D CB -0.155 40.795 40.800 0.250 0.000 0.921 167 D HN 0.530 nan 8.370 nan 0.000 0.510 168 N N -0.704 118.179 118.700 0.304 0.000 2.328 168 N HA 0.139 4.881 4.740 0.003 0.000 0.247 168 N C -1.037 174.512 175.510 0.066 0.000 1.165 168 N CA -0.209 53.004 53.050 0.271 0.000 0.873 168 N CB 0.488 39.219 38.487 0.407 0.000 1.125 168 N HN -0.033 nan 8.380 nan 0.000 0.513 169 F N 0.339 120.244 119.950 -0.074 0.000 2.612 169 F HA 0.369 4.898 4.527 0.003 0.000 0.332 169 F C -1.399 174.456 175.800 0.091 0.000 1.167 169 F CA -1.196 56.719 58.000 -0.141 0.000 0.970 169 F CB 0.849 39.686 39.000 -0.270 0.000 1.234 169 F HN -0.018 nan 8.300 nan 0.000 0.453 170 W N 7.322 128.469 121.300 -0.255 0.000 2.390 170 W HA 0.562 5.224 4.660 0.003 0.000 0.312 170 W C -1.145 175.343 176.519 -0.051 0.000 1.123 170 W CA -0.208 57.098 57.345 -0.065 0.000 1.202 170 W CB 1.228 30.633 29.460 -0.091 0.000 1.251 170 W HN 0.484 nan 8.180 nan 0.000 0.511 171 Q N 5.835 125.217 119.800 -0.697 0.000 2.353 171 Q HA 0.214 4.556 4.340 0.003 0.000 0.268 171 Q C 1.048 176.371 176.000 -1.129 0.000 1.045 171 Q CA -0.696 54.766 55.803 -0.568 0.000 0.811 171 Q CB 2.548 31.165 28.738 -0.201 0.000 1.305 171 Q HN 0.771 nan 8.270 nan 0.000 0.447 172 M N 1.071 120.262 119.600 -0.681 0.000 2.132 172 M HA 0.031 4.513 4.480 0.003 0.000 0.263 172 M C 0.332 176.528 176.300 -0.174 0.000 1.065 172 M CA 2.024 57.102 55.300 -0.370 0.000 1.122 172 M CB 0.284 32.931 32.600 0.079 0.000 1.365 172 M HN 0.754 nan 8.290 nan 0.000 0.411 173 G N -1.515 107.186 108.800 -0.164 0.000 2.561 173 G HA2 0.141 4.103 3.960 0.003 0.000 0.310 173 G HA3 0.141 4.103 3.960 0.003 0.000 0.310 173 G C -0.968 173.868 174.900 -0.106 0.000 1.292 173 G CA -0.150 44.872 45.100 -0.130 0.000 0.811 173 G HN 0.120 nan 8.290 nan 0.000 0.482 174 D N 0.098 120.451 120.400 -0.078 0.000 2.218 174 D HA 0.022 4.664 4.640 0.003 0.000 0.204 174 D C 1.624 177.906 176.300 -0.029 0.000 0.976 174 D CA 1.989 55.957 54.000 -0.053 0.000 0.853 174 D CB 0.030 40.804 40.800 -0.043 0.000 0.939 174 D HN 0.589 nan 8.370 nan 0.000 0.481 175 T N -3.275 111.267 114.554 -0.019 0.000 2.916 175 T HA 0.653 5.005 4.350 0.003 0.000 0.292 175 T C 0.361 175.072 174.700 0.018 0.000 1.064 175 T CA -0.204 61.898 62.100 0.004 0.000 1.011 175 T CB 2.923 71.797 68.868 0.010 0.000 1.152 175 T HN 0.239 nan 8.240 nan 0.000 0.510 176 G N 0.989 109.816 108.800 0.044 0.000 2.479 176 G HA2 0.211 4.173 3.960 0.003 0.000 0.686 176 G HA3 0.211 4.173 3.960 0.003 0.000 0.686 176 G C -3.364 171.591 174.900 0.092 0.000 1.295 176 G CA -1.000 44.144 45.100 0.073 0.000 0.922 176 G HN 0.804 nan 8.290 nan 0.000 0.582 177 P HA 0.430 nan 4.420 nan 0.000 0.265 177 P C 0.526 177.882 177.300 0.093 0.000 1.193 177 P CA 0.610 63.775 63.100 0.108 0.000 0.765 177 P CB 0.337 32.093 31.700 0.093 0.000 0.823 178 C N 1.124 120.471 119.300 0.078 0.000 3.321 178 C HA 1.003 5.465 4.460 0.003 0.000 0.329 178 C C -0.172 174.745 174.990 -0.122 0.000 1.394 178 C CA -0.237 58.787 59.018 0.009 0.000 1.291 178 C CB 1.384 29.163 27.740 0.065 0.000 1.606 178 C HN 0.805 nan 8.230 nan 0.000 0.463 179 G N -0.020 108.434 108.800 -0.577 0.000 2.338 179 G HA2 0.644 4.606 3.960 0.003 0.000 0.295 179 G HA3 0.644 4.606 3.960 0.003 0.000 0.295 179 G C -3.708 170.661 174.900 -0.885 0.000 1.461 179 G CA -0.729 44.002 45.100 -0.616 0.000 0.817 179 G HN 0.626 nan 8.290 nan 0.000 0.556 180 P HA 0.420 nan 4.420 nan 0.000 0.269 180 P C 0.238 177.510 177.300 -0.047 0.000 1.209 180 P CA -0.179 62.864 63.100 -0.096 0.000 0.776 180 P CB 0.619 32.524 31.700 0.341 0.000 0.876 181 C N -0.695 118.587 119.300 -0.030 0.000 3.171 181 C HA 0.875 5.337 4.460 0.003 0.000 0.308 181 C C -0.409 174.598 174.990 0.027 0.000 1.334 181 C CA -0.595 58.331 59.018 -0.153 0.000 1.473 181 C CB 1.326 28.984 27.740 -0.136 0.000 1.866 181 C HN 0.555 nan 8.230 nan 0.000 0.465 182 T N 0.849 115.367 114.554 -0.059 0.000 2.841 182 T HA 0.626 4.978 4.350 0.003 0.000 0.283 182 T C -1.018 173.762 174.700 0.134 0.000 1.000 182 T CA -0.047 62.162 62.100 0.182 0.000 0.977 182 T CB 1.068 70.194 68.868 0.430 0.000 0.979 182 T HN 0.867 nan 8.240 nan 0.000 0.446 183 E N 3.574 123.892 120.200 0.196 0.000 2.256 183 E HA 0.497 4.849 4.350 0.003 0.000 0.267 183 E C -0.702 176.002 176.600 0.173 0.000 0.892 183 E CA -0.885 55.604 56.400 0.148 0.000 0.775 183 E CB 2.442 32.233 29.700 0.152 0.000 1.207 183 E HN 0.573 nan 8.360 nan 0.000 0.420 184 I N 2.478 123.108 120.570 0.100 0.000 2.354 184 I HA 0.341 4.513 4.170 0.003 0.000 0.292 184 I C -0.777 175.399 176.117 0.099 0.000 0.989 184 I CA -0.567 60.835 61.300 0.170 0.000 1.188 184 I CB 0.527 38.678 38.000 0.252 0.000 1.342 184 I HN 0.302 nan 8.210 nan 0.000 0.457 185 F N 5.250 125.319 119.950 0.199 0.000 2.492 185 F HA 0.439 4.968 4.527 0.003 0.000 0.327 185 F C -0.408 175.576 175.800 0.307 0.000 1.079 185 F CA -0.760 57.376 58.000 0.226 0.000 0.967 185 F CB 1.443 40.548 39.000 0.174 0.000 1.169 185 F HN 0.280 nan 8.300 nan 0.000 0.472 186 Y N 1.849 122.316 120.300 0.279 0.000 2.341 186 Y HA 0.332 4.884 4.550 0.003 0.000 0.338 186 Y C -0.630 175.295 175.900 0.043 0.000 0.965 186 Y CA -1.178 57.005 58.100 0.138 0.000 1.108 186 Y CB 1.027 39.465 38.460 -0.037 0.000 1.180 186 Y HN 0.553 nan 8.280 nan 0.000 0.458 187 D N 4.290 124.391 120.400 -0.499 0.000 2.336 187 D HA 0.063 4.705 4.640 0.003 0.000 0.249 187 D C 0.687 176.580 176.300 -0.679 0.000 1.213 187 D CA 0.479 54.095 54.000 -0.640 0.000 0.870 187 D CB 0.424 40.934 40.800 -0.484 0.000 1.076 187 D HN 0.746 nan 8.370 nan 0.000 0.483 188 H N 3.105 121.980 119.070 -0.325 0.000 2.547 188 H HA 0.190 4.748 4.556 0.003 0.000 0.272 188 H C 1.197 176.432 175.328 -0.155 0.000 0.989 188 H CA 0.965 56.960 56.048 -0.088 0.000 1.214 188 H CB 0.399 30.172 29.762 0.019 0.000 1.389 188 H HN 0.674 nan 8.280 nan 0.000 0.577 189 G N 1.296 109.977 108.800 -0.198 0.000 2.541 189 G HA2 -0.222 3.740 3.960 0.003 0.000 0.686 189 G HA3 -0.222 3.740 3.960 0.003 0.000 0.686 189 G C 0.090 174.892 174.900 -0.163 0.000 1.286 189 G CA -0.100 44.880 45.100 -0.201 0.000 0.894 189 G HN 0.312 nan 8.290 nan 0.000 0.575 190 D N -1.169 119.136 120.400 -0.159 0.000 2.378 190 D HA 0.007 4.649 4.640 0.003 0.000 0.227 190 D C 1.359 177.710 176.300 0.086 0.000 1.012 190 D CA 1.250 55.218 54.000 -0.053 0.000 0.905 190 D CB -0.203 40.580 40.800 -0.028 0.000 0.895 190 D HN 0.493 nan 8.370 nan 0.000 0.532 191 H N -0.053 119.029 119.070 0.019 0.000 2.547 191 H HA 0.186 4.744 4.556 0.003 0.000 0.272 191 H C 0.426 175.786 175.328 0.055 0.000 0.989 191 H CA 0.133 56.204 56.048 0.039 0.000 1.214 191 H CB 0.295 30.081 29.762 0.041 0.000 1.389 191 H HN 0.224 nan 8.280 nan 0.000 0.577 192 I N -0.389 120.275 120.570 0.157 0.000 2.441 192 I HA 0.043 4.215 4.170 0.003 0.000 0.295 192 I C 0.100 176.307 176.117 0.149 0.000 0.994 192 I CA -1.404 59.978 61.300 0.137 0.000 1.144 192 I CB 1.142 39.190 38.000 0.080 0.000 1.314 192 I HN 0.124 nan 8.210 nan 0.000 0.445 193 W N 5.861 127.182 121.300 0.035 0.000 2.190 193 W HA 0.522 5.184 4.660 0.003 0.000 0.330 193 W C 0.494 177.044 176.519 0.051 0.000 1.299 193 W CA 1.243 58.612 57.345 0.040 0.000 1.215 193 W CB 0.906 30.387 29.460 0.036 0.000 1.147 193 W HN 0.771 nan 8.180 nan 0.000 0.563 194 G N 2.657 110.954 108.800 -0.837 0.000 2.317 194 G HA2 0.406 4.368 3.960 0.003 0.000 0.445 194 G HA3 0.406 4.368 3.960 0.003 0.000 0.445 194 G C -0.884 173.759 174.900 -0.428 0.000 1.486 194 G CA -0.547 44.104 45.100 -0.749 0.000 0.991 194 G HN 1.042 nan 8.290 nan 0.000 0.660 195 G N 0.122 108.683 108.800 -0.399 0.000 2.644 195 G HA2 0.916 4.878 3.960 0.003 0.000 0.307 195 G HA3 0.916 4.878 3.960 0.003 0.000 0.307 195 G C -2.612 171.843 174.900 -0.742 0.000 1.250 195 G CA -1.346 43.508 45.100 -0.411 0.000 0.996 195 G HN 0.619 nan 8.290 nan 0.000 0.489 196 P HA 0.239 nan 4.420 nan 0.000 0.273 196 P C -2.630 174.134 177.300 -0.893 0.000 1.250 196 P CA -1.278 60.776 63.100 -1.742 0.000 0.793 196 P CB 0.337 30.849 31.700 -1.980 0.000 1.011 197 P HA -0.030 nan 4.420 nan 0.000 0.266 197 P C 1.032 178.112 177.300 -0.367 0.000 1.195 197 P CA 1.221 63.958 63.100 -0.605 0.000 0.768 197 P CB -0.193 30.944 31.700 -0.938 0.000 0.838 198 G N 1.299 109.974 108.800 -0.209 0.000 2.253 198 G HA2 -0.245 3.717 3.960 0.003 0.000 0.251 198 G HA3 -0.245 3.717 3.960 0.003 0.000 0.251 198 G C 0.362 175.187 174.900 -0.124 0.000 0.998 198 G CA 0.413 45.440 45.100 -0.122 0.000 0.621 198 G HN 0.912 nan 8.290 nan 0.000 0.524 199 S N 0.571 116.156 115.700 -0.191 0.000 2.672 199 S HA 0.693 5.165 4.470 0.003 0.000 0.276 199 S C -0.801 173.728 174.600 -0.119 0.000 1.207 199 S CA -0.474 57.623 58.200 -0.171 0.000 1.002 199 S CB 2.340 65.382 63.200 -0.263 0.000 0.998 199 S HN -0.025 nan 8.310 nan 0.000 0.542 200 P HA -0.073 nan 4.420 nan 0.000 0.216 200 P C 0.454 177.745 177.300 -0.015 0.000 1.150 200 P CA 1.276 64.359 63.100 -0.028 0.000 0.843 200 P CB -0.030 31.663 31.700 -0.011 0.000 0.787 201 E N -0.628 119.500 120.200 -0.119 0.000 2.394 201 E HA -0.025 4.327 4.350 0.003 0.000 0.191 201 E C 1.408 177.888 176.600 -0.199 0.000 1.044 201 E CA -0.088 56.182 56.400 -0.217 0.000 0.939 201 E CB -0.197 29.119 29.700 -0.640 0.000 1.089 201 E HN 0.541 nan 8.360 nan 0.000 0.456 202 E N 0.777 120.905 120.200 -0.120 0.000 2.209 202 E HA -0.248 4.104 4.350 0.003 0.000 0.196 202 E C 1.322 177.939 176.600 0.029 0.000 0.993 202 E CA 1.291 57.623 56.400 -0.112 0.000 0.819 202 E CB -0.060 29.572 29.700 -0.113 0.000 0.745 202 E HN 0.025 nan 8.360 nan 0.000 0.477 203 D N 1.049 121.518 120.400 0.115 0.000 2.363 203 D HA 0.045 4.686 4.640 0.003 0.000 0.220 203 D C 0.734 177.195 176.300 0.269 0.000 0.994 203 D CA 0.706 54.822 54.000 0.194 0.000 0.890 203 D CB -0.098 40.819 40.800 0.195 0.000 0.906 203 D HN 0.295 nan 8.370 nan 0.000 0.530 204 G N -0.361 108.618 108.800 0.298 0.000 2.667 204 G HA2 -0.010 3.952 3.960 0.003 0.000 0.250 204 G HA3 -0.010 3.952 3.960 0.003 0.000 0.250 204 G C 0.418 175.460 174.900 0.236 0.000 1.212 204 G CA -0.420 44.914 45.100 0.390 0.000 0.874 204 G HN 0.056 nan 8.290 nan 0.000 0.561 205 D N -0.822 119.709 120.400 0.218 0.000 2.328 205 D HA 0.017 4.658 4.640 0.003 0.000 0.226 205 D C 2.055 178.398 176.300 0.071 0.000 1.066 205 D CA -0.049 54.017 54.000 0.110 0.000 0.861 205 D CB 0.360 41.195 40.800 0.059 0.000 0.912 205 D HN 0.493 nan 8.370 nan 0.000 0.521 206 R N -0.146 120.403 120.500 0.082 0.000 2.055 206 R HA -0.084 4.258 4.340 0.003 0.000 0.228 206 R C 0.112 176.365 176.300 -0.077 0.000 1.143 206 R CA 0.834 56.914 56.100 -0.034 0.000 0.945 206 R CB 0.049 30.259 30.300 -0.150 0.000 0.841 206 R HN 0.043 nan 8.270 nan 0.000 0.429 207 Y N 1.815 122.119 120.300 0.006 0.000 2.594 207 Y HA 0.287 4.839 4.550 0.003 0.000 0.342 207 Y C -0.223 175.828 175.900 0.252 0.000 1.010 207 Y CA -0.844 57.274 58.100 0.030 0.000 1.270 207 Y CB 0.800 39.113 38.460 -0.245 0.000 1.125 207 Y HN 0.020 nan 8.280 nan 0.000 0.513 208 I N 3.125 123.937 120.570 0.403 0.000 2.342 208 I HA 0.063 4.235 4.170 0.003 0.000 0.291 208 I C 0.535 176.717 176.117 0.109 0.000 1.010 208 I CA -0.678 60.786 61.300 0.274 0.000 1.308 208 I CB 1.276 39.424 38.000 0.248 0.000 1.400 208 I HN 0.623 nan 8.210 nan 0.000 0.488 209 E N 6.477 126.562 120.200 -0.192 0.000 2.238 209 E HA 0.045 4.397 4.350 0.003 0.000 0.264 209 E C 0.858 177.255 176.600 -0.337 0.000 1.136 209 E CA -0.093 55.855 56.400 -0.752 0.000 0.929 209 E CB 0.535 29.862 29.700 -0.623 0.000 1.010 209 E HN 0.644 nan 8.360 nan 0.000 0.440 210 I N 2.830 123.261 120.570 -0.231 0.000 3.039 210 I HA 0.307 4.479 4.170 0.003 0.000 0.270 210 I C 0.277 176.397 176.117 0.005 0.000 1.150 210 I CA -0.256 60.999 61.300 -0.074 0.000 1.448 210 I CB 0.394 38.406 38.000 0.020 0.000 1.197 210 I HN 0.335 nan 8.210 nan 0.000 0.450 211 W N 3.152 124.370 121.300 -0.137 0.000 2.830 211 W HA 0.487 5.149 4.660 0.003 0.000 0.335 211 W C -1.479 174.984 176.519 -0.095 0.000 1.043 211 W CA -1.509 55.789 57.345 -0.078 0.000 1.239 211 W CB 1.284 30.763 29.460 0.031 0.000 1.378 211 W HN -0.076 nan 8.180 nan 0.000 0.456 212 N N 4.736 123.603 118.700 0.278 0.000 2.419 212 N HA 0.479 5.221 4.740 0.003 0.000 0.277 212 N C -1.117 174.361 175.510 -0.053 0.000 1.006 212 N CA -0.186 52.882 53.050 0.031 0.000 0.923 212 N CB 0.862 39.292 38.487 -0.096 0.000 1.140 212 N HN 0.341 nan 8.380 nan 0.000 0.488 213 I N 3.334 123.777 120.570 -0.212 0.000 2.390 213 I HA 0.258 4.430 4.170 0.003 0.000 0.283 213 I C -0.530 175.202 176.117 -0.642 0.000 1.016 213 I CA -0.949 60.116 61.300 -0.392 0.000 1.151 213 I CB 1.447 39.198 38.000 -0.416 0.000 1.293 213 I HN 0.109 nan 8.210 nan 0.000 0.458 214 V N 6.545 126.143 119.914 -0.526 0.000 2.407 214 V HA 0.280 4.402 4.120 0.003 0.000 0.278 214 V C -0.281 175.541 176.094 -0.452 0.000 1.037 214 V CA -0.438 61.569 62.300 -0.489 0.000 0.900 214 V CB 0.941 32.583 31.823 -0.303 0.000 0.983 214 V HN 0.350 nan 8.190 nan 0.000 0.459 215 F N 4.894 124.799 119.950 -0.074 0.000 2.451 215 F HA 0.427 4.956 4.527 0.003 0.000 0.356 215 F C 0.609 176.426 175.800 0.029 0.000 1.178 215 F CA -1.104 56.884 58.000 -0.020 0.000 1.210 215 F CB 0.189 39.108 39.000 -0.134 0.000 1.504 215 F HN 0.275 nan 8.300 nan 0.000 0.598 216 M N 3.477 123.166 119.600 0.148 0.000 2.303 216 M HA 0.013 4.495 4.480 0.003 0.000 0.350 216 M C 0.857 177.165 176.300 0.013 0.000 1.518 216 M CA 0.789 56.086 55.300 -0.004 0.000 1.070 216 M CB 0.716 33.211 32.600 -0.175 0.000 1.910 216 M HN 0.610 nan 8.290 nan 0.000 0.458 217 Q N 2.197 121.908 119.800 -0.149 0.000 2.279 217 Q HA 0.297 4.638 4.340 0.003 0.000 0.261 217 Q C -0.605 174.992 176.000 -0.672 0.000 0.796 217 Q CA 0.746 56.261 55.803 -0.479 0.000 0.971 217 Q CB 1.045 29.305 28.738 -0.797 0.000 1.179 217 Q HN 0.596 nan 8.270 nan 0.000 0.505 218 F N 0.392 120.385 119.950 0.072 0.000 2.620 218 F HA 0.433 4.962 4.527 0.003 0.000 0.320 218 F C 0.071 175.903 175.800 0.053 0.000 1.069 218 F CA -1.396 56.643 58.000 0.064 0.000 0.953 218 F CB 0.981 40.019 39.000 0.063 0.000 1.322 218 F HN -0.243 nan 8.300 nan 0.000 0.479 219 N N 1.252 120.108 118.700 0.260 0.000 2.446 219 N HA 0.256 4.998 4.740 0.003 0.000 0.265 219 N C -0.991 174.593 175.510 0.125 0.000 0.975 219 N CA -0.622 52.526 53.050 0.162 0.000 0.928 219 N CB 1.024 39.586 38.487 0.125 0.000 1.160 219 N HN 0.620 nan 8.380 nan 0.000 0.495 220 R N 2.355 122.908 120.500 0.089 0.000 2.438 220 R HA 0.173 4.515 4.340 0.003 0.000 0.287 220 R C -0.287 176.026 176.300 0.021 0.000 1.077 220 R CA -0.312 55.806 56.100 0.029 0.000 1.034 220 R CB 0.470 30.778 30.300 0.013 0.000 0.993 220 R HN 0.568 nan 8.270 nan 0.000 0.459 221 Q N 1.868 121.671 119.800 0.005 0.000 2.180 221 Q HA 0.234 4.576 4.340 0.003 0.000 0.241 221 Q C 0.708 176.707 176.000 -0.002 0.000 0.970 221 Q CA 0.015 55.822 55.803 0.007 0.000 0.919 221 Q CB 1.449 30.192 28.738 0.008 0.000 1.222 221 Q HN 0.807 nan 8.270 nan 0.000 0.482 222 A N 1.153 123.973 122.820 -0.000 0.000 1.972 222 A HA -0.206 4.116 4.320 0.003 0.000 0.219 222 A C 1.209 178.790 177.584 -0.006 0.000 1.169 222 A CA 2.054 54.088 52.037 -0.005 0.000 0.635 222 A CB -0.502 18.496 19.000 -0.003 0.000 0.810 222 A HN 0.797 nan 8.150 nan 0.000 0.446 223 D N -2.344 118.054 120.400 -0.003 0.000 2.348 223 D HA 0.257 4.899 4.640 0.003 0.000 0.216 223 D C 1.235 177.532 176.300 -0.005 0.000 0.970 223 D CA 1.116 55.114 54.000 -0.003 0.000 0.889 223 D CB -0.426 40.374 40.800 -0.000 0.000 0.912 223 D HN 0.787 nan 8.370 nan 0.000 0.524 224 G N -0.363 108.431 108.800 -0.010 0.000 2.179 224 G HA2 -0.242 3.720 3.960 0.003 0.000 0.220 224 G HA3 -0.242 3.720 3.960 0.003 0.000 0.220 224 G C 0.464 175.346 174.900 -0.030 0.000 0.990 224 G CA 0.220 45.311 45.100 -0.015 0.000 0.646 224 G HN 0.749 nan 8.290 nan 0.000 0.517 225 T N -0.268 114.270 114.554 -0.026 0.000 2.913 225 T HA 0.662 5.014 4.350 0.003 0.000 0.297 225 T C 0.482 175.135 174.700 -0.078 0.000 1.029 225 T CA -0.308 61.769 62.100 -0.039 0.000 1.104 225 T CB 1.491 70.352 68.868 -0.011 0.000 0.964 225 T HN 0.129 nan 8.240 nan 0.000 0.532 226 M N 2.733 122.247 119.600 -0.143 0.000 2.066 226 M HA 0.347 4.829 4.480 0.003 0.000 0.340 226 M C -0.123 176.180 176.300 0.004 0.000 1.053 226 M CA -0.285 54.892 55.300 -0.204 0.000 0.983 226 M CB 0.957 33.114 32.600 -0.739 0.000 1.520 226 M HN 0.759 nan 8.290 nan 0.000 0.428 227 E N 4.378 124.654 120.200 0.126 0.000 2.175 227 E HA 0.407 4.759 4.350 0.003 0.000 0.278 227 E C -2.338 174.441 176.600 0.298 0.000 0.969 227 E CA -1.858 54.650 56.400 0.180 0.000 0.796 227 E CB 1.094 30.861 29.700 0.113 0.000 1.104 227 E HN 0.284 nan 8.360 nan 0.000 0.395 228 P HA -0.032 nan 4.420 nan 0.000 0.268 228 P C -0.469 176.885 177.300 0.089 0.000 1.204 228 P CA 0.240 63.452 63.100 0.187 0.000 0.768 228 P CB 0.459 32.236 31.700 0.128 0.000 0.842 229 L N 5.897 127.134 121.223 0.023 0.000 2.452 229 L HA 0.139 4.481 4.340 0.003 0.000 0.267 229 L C -0.893 175.985 176.870 0.012 0.000 1.188 229 L CA -1.456 53.407 54.840 0.039 0.000 0.821 229 L CB 0.010 42.099 42.059 0.050 0.000 1.102 229 L HN 0.348 nan 8.230 nan 0.000 0.470 230 P HA -0.099 nan 4.420 nan 0.000 0.215 230 P C -0.530 176.757 177.300 -0.021 0.000 1.153 230 P CA 1.464 64.567 63.100 0.005 0.000 0.853 230 P CB 0.236 31.943 31.700 0.011 0.000 0.788 231 K N -0.883 119.507 120.400 -0.017 0.000 2.507 231 K HA 0.369 4.691 4.320 0.003 0.000 0.252 231 K C -2.810 173.740 176.600 -0.083 0.000 0.943 231 K CA -2.357 53.893 56.287 -0.061 0.000 0.808 231 K CB 1.836 34.315 32.500 -0.036 0.000 1.142 231 K HN -0.184 nan 8.250 nan 0.000 0.426 232 P HA 0.016 nan 4.420 nan 0.000 0.262 232 P C -0.861 176.289 177.300 -0.251 0.000 1.182 232 P CA 0.328 63.214 63.100 -0.357 0.000 0.761 232 P CB 0.775 31.945 31.700 -0.883 0.000 0.795 233 S N 0.930 116.704 115.700 0.124 0.000 2.732 233 S HA 0.646 5.118 4.470 0.003 0.000 0.293 233 S C -0.835 174.036 174.600 0.451 0.000 1.159 233 S CA -0.659 57.726 58.200 0.309 0.000 0.847 233 S CB 1.467 64.983 63.200 0.527 0.000 1.169 233 S HN 0.105 nan 8.310 nan 0.000 0.501 234 V N 1.949 122.077 119.914 0.357 0.000 2.540 234 V HA 0.559 4.681 4.120 0.003 0.000 0.302 234 V C -1.286 174.948 176.094 0.233 0.000 1.035 234 V CA -0.632 61.814 62.300 0.243 0.000 0.873 234 V CB 1.695 33.615 31.823 0.163 0.000 0.992 234 V HN 0.917 nan 8.190 nan 0.000 0.428 235 D N 3.078 123.515 120.400 0.062 0.000 2.469 235 D HA 0.513 5.154 4.640 0.003 0.000 0.251 235 D C -0.137 176.076 176.300 -0.145 0.000 1.173 235 D CA -0.133 53.918 54.000 0.084 0.000 0.882 235 D CB 1.796 42.563 40.800 -0.055 0.000 1.129 235 D HN 0.707 nan 8.370 nan 0.000 0.549 236 T N 0.646 115.061 114.554 -0.232 0.000 2.945 236 T HA 0.850 5.202 4.350 0.003 0.000 0.286 236 T C -0.532 174.126 174.700 -0.069 0.000 1.025 236 T CA -0.782 61.263 62.100 -0.092 0.000 1.039 236 T CB 1.677 70.612 68.868 0.111 0.000 1.068 236 T HN 0.606 nan 8.240 nan 0.000 0.497 237 A N 3.188 126.079 122.820 0.120 0.000 2.509 237 A HA 0.605 4.927 4.320 0.003 0.000 0.282 237 A C -0.731 176.781 177.584 -0.120 0.000 1.054 237 A CA -0.755 51.233 52.037 -0.082 0.000 0.820 237 A CB 0.946 19.836 19.000 -0.183 0.000 1.333 237 A HN 1.121 nan 8.150 nan 0.000 0.409 238 M N 3.109 122.432 119.600 -0.462 0.000 2.321 238 M HA 0.654 5.136 4.480 0.003 0.000 0.315 238 M C 0.339 176.414 176.300 -0.374 0.000 1.052 238 M CA -0.227 54.733 55.300 -0.568 0.000 0.936 238 M CB 1.617 33.499 32.600 -1.197 0.000 1.639 238 M HN 0.865 nan 8.290 nan 0.000 0.433 239 G N 4.123 112.789 108.800 -0.225 0.000 2.335 239 G HA2 0.245 4.207 3.960 0.003 0.000 0.268 239 G HA3 0.245 4.207 3.960 0.003 0.000 0.268 239 G C 0.386 175.187 174.900 -0.164 0.000 1.228 239 G CA -0.508 44.518 45.100 -0.123 0.000 0.968 239 G HN 0.884 nan 8.290 nan 0.000 0.459 240 L N 2.775 123.914 121.223 -0.140 0.000 2.012 240 L HA -0.081 4.261 4.340 0.003 0.000 0.210 240 L C 2.470 179.279 176.870 -0.103 0.000 1.073 240 L CA 2.162 56.903 54.840 -0.165 0.000 0.748 240 L CB -0.405 41.565 42.059 -0.149 0.000 0.891 240 L HN 0.569 nan 8.230 nan 0.000 0.431 241 E N -0.388 119.803 120.200 -0.015 0.000 2.110 241 E HA -0.166 4.186 4.350 0.003 0.000 0.193 241 E C 2.282 178.865 176.600 -0.029 0.000 0.988 241 E CA 1.360 57.781 56.400 0.036 0.000 0.804 241 E CB -0.219 29.612 29.700 0.218 0.000 0.745 241 E HN 0.473 nan 8.360 nan 0.000 0.458 242 R N -0.106 120.347 120.500 -0.078 0.000 2.075 242 R HA -0.042 4.300 4.340 0.003 0.000 0.232 242 R C 2.290 178.521 176.300 -0.115 0.000 1.126 242 R CA 1.079 57.119 56.100 -0.099 0.000 0.963 242 R CB -0.381 29.841 30.300 -0.129 0.000 0.858 242 R HN 0.157 nan 8.270 nan 0.000 0.435 243 I N 1.023 121.492 120.570 -0.168 0.000 2.439 243 I HA -0.114 4.058 4.170 0.003 0.000 0.251 243 I C 2.088 178.038 176.117 -0.279 0.000 1.139 243 I CA 0.932 62.090 61.300 -0.237 0.000 1.438 243 I CB -0.270 37.578 38.000 -0.252 0.000 1.085 243 I HN 0.103 nan 8.210 nan 0.000 0.427 244 A N 0.587 123.279 122.820 -0.213 0.000 1.908 244 A HA -0.138 4.184 4.320 0.003 0.000 0.218 244 A C 2.527 180.012 177.584 -0.165 0.000 1.181 244 A CA 1.894 53.815 52.037 -0.193 0.000 0.627 244 A CB -1.326 17.603 19.000 -0.118 0.000 0.818 244 A HN 0.516 nan 8.150 nan 0.000 0.445 245 A N -0.506 122.251 122.820 -0.105 0.000 1.883 245 A HA -0.047 4.275 4.320 0.003 0.000 0.217 245 A C 2.253 179.789 177.584 -0.080 0.000 1.186 245 A CA 1.950 53.959 52.037 -0.047 0.000 0.624 245 A CB -1.066 17.936 19.000 0.004 0.000 0.822 245 A HN 0.427 nan 8.150 nan 0.000 0.444 246 V N 0.028 119.830 119.914 -0.187 0.000 2.255 246 V HA -0.277 3.845 4.120 0.003 0.000 0.247 246 V C 2.560 178.357 176.094 -0.494 0.000 1.051 246 V CA 2.107 64.143 62.300 -0.440 0.000 1.018 246 V CB -0.788 30.579 31.823 -0.761 0.000 0.641 246 V HN 0.571 nan 8.190 nan 0.000 0.445 247 L N -0.653 120.283 121.223 -0.479 0.000 2.201 247 L HA -0.160 4.182 4.340 0.003 0.000 0.212 247 L C 2.336 178.845 176.870 -0.601 0.000 1.105 247 L CA 1.329 55.847 54.840 -0.537 0.000 0.775 247 L CB -0.387 41.371 42.059 -0.502 0.000 0.913 247 L HN 0.399 nan 8.230 nan 0.000 0.440 248 Q N -1.168 118.397 119.800 -0.392 0.000 2.320 248 Q HA 0.033 4.375 4.340 0.003 0.000 0.201 248 Q C -0.386 175.560 176.000 -0.090 0.000 0.910 248 Q CA -0.120 55.557 55.803 -0.210 0.000 0.946 248 Q CB 0.327 29.016 28.738 -0.082 0.000 1.062 248 Q HN 0.425 nan 8.270 nan 0.000 0.503 249 H N -1.525 117.532 119.070 -0.021 0.000 2.839 249 H HA -0.128 4.430 4.556 0.003 0.000 0.298 249 H C -0.176 175.189 175.328 0.062 0.000 1.224 249 H CA 0.877 56.939 56.048 0.023 0.000 1.144 249 H CB -2.528 27.246 29.762 0.019 0.000 1.372 249 H HN 0.217 nan 8.280 nan 0.000 0.408 250 V N -3.377 116.611 119.914 0.124 0.000 3.158 250 V HA 0.456 4.578 4.120 0.003 0.000 0.315 250 V C 0.800 176.977 176.094 0.138 0.000 1.148 250 V CA -0.432 61.939 62.300 0.120 0.000 1.042 250 V CB 2.252 34.119 31.823 0.074 0.000 1.101 250 V HN 0.160 nan 8.190 nan 0.000 0.448 251 N N 0.061 118.791 118.700 0.050 0.000 2.482 251 N HA 0.121 4.863 4.740 0.003 0.000 0.179 251 N C 0.742 176.097 175.510 -0.259 0.000 1.039 251 N CA 0.508 53.467 53.050 -0.151 0.000 0.884 251 N CB 0.447 38.887 38.487 -0.078 0.000 1.113 251 N HN 0.703 nan 8.380 nan 0.000 0.440 252 S N 0.115 115.761 115.700 -0.090 0.000 2.541 252 S HA 0.241 4.713 4.470 0.003 0.000 0.283 252 S C 0.671 175.238 174.600 -0.055 0.000 1.196 252 S CA -0.710 57.453 58.200 -0.061 0.000 1.062 252 S CB 0.814 64.035 63.200 0.036 0.000 1.009 252 S HN 0.068 nan 8.310 nan 0.000 0.502 253 N N 2.439 121.056 118.700 -0.137 0.000 2.192 253 N HA -0.105 4.637 4.740 0.003 0.000 0.188 253 N C 0.686 176.087 175.510 -0.180 0.000 1.013 253 N CA 1.583 54.531 53.050 -0.171 0.000 0.863 253 N CB -0.512 37.795 38.487 -0.299 0.000 0.990 253 N HN 0.714 nan 8.380 nan 0.000 0.430 254 Y N 0.339 120.578 120.300 -0.101 0.000 2.578 254 Y HA 0.042 4.594 4.550 0.003 0.000 0.297 254 Y C 1.102 177.029 175.900 0.045 0.000 1.176 254 Y CA 0.332 58.342 58.100 -0.150 0.000 1.315 254 Y CB 0.198 38.508 38.460 -0.251 0.000 1.031 254 Y HN -0.001 nan 8.280 nan 0.000 0.524 255 D N 0.237 120.724 120.400 0.145 0.000 2.349 255 D HA 0.092 4.734 4.640 0.003 0.000 0.214 255 D C 0.814 177.179 176.300 0.107 0.000 1.063 255 D CA 0.154 54.224 54.000 0.118 0.000 0.847 255 D CB 0.052 40.898 40.800 0.078 0.000 0.933 255 D HN 0.383 nan 8.370 nan 0.000 0.513 256 I N -0.460 120.186 120.570 0.126 0.000 3.004 256 I HA 0.050 4.222 4.170 0.003 0.000 0.287 256 I C 1.515 177.684 176.117 0.087 0.000 1.144 256 I CA -0.673 60.679 61.300 0.087 0.000 1.353 256 I CB 0.896 38.938 38.000 0.071 0.000 1.417 256 I HN -0.290 nan 8.210 nan 0.000 0.602 257 D N 3.474 123.895 120.400 0.035 0.000 2.116 257 D HA -0.308 4.334 4.640 0.003 0.000 0.193 257 D C 1.888 178.191 176.300 0.005 0.000 0.998 257 D CA 1.874 55.886 54.000 0.020 0.000 0.836 257 D CB -0.460 40.339 40.800 -0.003 0.000 0.951 257 D HN 0.785 nan 8.370 nan 0.000 0.449 258 L N -1.153 120.046 121.223 -0.040 0.000 1.990 258 L HA -0.176 4.166 4.340 0.003 0.000 0.213 258 L C 2.614 179.394 176.870 -0.149 0.000 1.072 258 L CA 1.577 56.331 54.840 -0.143 0.000 0.755 258 L CB -0.332 41.569 42.059 -0.264 0.000 0.889 258 L HN -0.083 nan 8.230 nan 0.000 0.432 259 F N -0.595 119.360 119.950 0.009 0.000 2.293 259 F HA -0.068 4.461 4.527 0.003 0.000 0.297 259 F C 2.630 178.471 175.800 0.067 0.000 1.089 259 F CA 0.652 58.684 58.000 0.054 0.000 1.377 259 F CB -0.093 38.963 39.000 0.093 0.000 1.051 259 F HN -0.055 nan 8.300 nan 0.000 0.511 260 R N -0.328 120.301 120.500 0.214 0.000 2.073 260 R HA -0.134 4.208 4.340 0.003 0.000 0.234 260 R C 2.075 178.429 176.300 0.089 0.000 1.134 260 R CA 2.006 58.186 56.100 0.134 0.000 0.952 260 R CB -0.925 29.430 30.300 0.091 0.000 0.850 260 R HN 0.176 nan 8.270 nan 0.000 0.433 261 T N 1.516 116.104 114.554 0.056 0.000 2.777 261 T HA -0.111 4.241 4.350 0.003 0.000 0.266 261 T C 1.684 176.402 174.700 0.029 0.000 1.040 261 T CA 0.880 62.996 62.100 0.025 0.000 1.141 261 T CB -0.171 68.695 68.868 -0.003 0.000 0.868 261 T HN 0.042 nan 8.240 nan 0.000 0.444 262 L N 0.969 122.215 121.223 0.038 0.000 2.056 262 L HA 0.123 4.465 4.340 0.003 0.000 0.207 262 L C 2.120 179.048 176.870 0.097 0.000 1.078 262 L CA 1.416 56.285 54.840 0.049 0.000 0.749 262 L CB -0.619 41.459 42.059 0.031 0.000 0.901 262 L HN 0.265 nan 8.230 nan 0.000 0.433 263 I N -1.041 119.615 120.570 0.142 0.000 2.286 263 I HA -0.331 3.841 4.170 0.003 0.000 0.248 263 I C 2.457 178.607 176.117 0.055 0.000 1.115 263 I CA 1.074 62.440 61.300 0.109 0.000 1.392 263 I CB -0.277 37.792 38.000 0.115 0.000 1.065 263 I HN 0.409 nan 8.210 nan 0.000 0.418 264 Q N 0.509 120.337 119.800 0.046 0.000 2.096 264 Q HA -0.222 4.120 4.340 0.003 0.000 0.204 264 Q C 2.489 178.497 176.000 0.014 0.000 0.982 264 Q CA 1.880 57.696 55.803 0.022 0.000 0.850 264 Q CB -0.294 28.456 28.738 0.019 0.000 0.901 264 Q HN 0.601 nan 8.270 nan 0.000 0.422 265 A N 0.206 123.037 122.820 0.019 0.000 1.933 265 A HA -0.135 4.187 4.320 0.003 0.000 0.218 265 A C 2.311 179.909 177.584 0.023 0.000 1.175 265 A CA 1.300 53.344 52.037 0.011 0.000 0.628 265 A CB -0.613 18.388 19.000 0.003 0.000 0.814 265 A HN 0.217 nan 8.150 nan 0.000 0.444 266 V N -0.108 119.831 119.914 0.043 0.000 2.295 266 V HA -0.248 3.874 4.120 0.003 0.000 0.246 266 V C 3.058 179.146 176.094 -0.010 0.000 1.049 266 V CA 1.912 64.243 62.300 0.052 0.000 1.024 266 V CB -1.301 30.567 31.823 0.074 0.000 0.648 266 V HN 0.609 nan 8.190 nan 0.000 0.447 267 A N -0.209 122.601 122.820 -0.016 0.000 1.908 267 A HA -0.287 4.035 4.320 0.003 0.000 0.218 267 A C 2.362 179.922 177.584 -0.040 0.000 1.181 267 A CA 2.283 54.297 52.037 -0.038 0.000 0.627 267 A CB -0.518 18.467 19.000 -0.026 0.000 0.818 267 A HN 0.531 nan 8.150 nan 0.000 0.445 268 K N 0.033 120.419 120.400 -0.022 0.000 2.026 268 K HA -0.133 4.189 4.320 0.003 0.000 0.208 268 K C 1.862 178.448 176.600 -0.025 0.000 1.048 268 K CA 2.028 58.303 56.287 -0.021 0.000 0.929 268 K CB -0.325 32.167 32.500 -0.012 0.000 0.713 268 K HN 0.470 nan 8.250 nan 0.000 0.439 269 V N -1.082 118.822 119.914 -0.016 0.000 2.951 269 V HA -0.057 4.065 4.120 0.003 0.000 0.255 269 V C 1.938 177.997 176.094 -0.059 0.000 1.088 269 V CA 1.710 64.010 62.300 0.001 0.000 1.109 269 V CB -0.563 31.303 31.823 0.071 0.000 0.724 269 V HN 0.464 nan 8.190 nan 0.000 0.471 270 T N -3.289 111.172 114.554 -0.154 0.000 3.051 270 T HA 0.390 4.742 4.350 0.003 0.000 0.255 270 T C 1.782 176.386 174.700 -0.160 0.000 1.085 270 T CA 0.945 62.874 62.100 -0.284 0.000 1.109 270 T CB 0.259 68.894 68.868 -0.389 0.000 0.921 270 T HN 1.561 nan 8.240 nan 0.000 0.488 271 G N 1.499 110.239 108.800 -0.099 0.000 2.143 271 G HA2 -0.022 3.939 3.960 0.003 0.000 0.249 271 G HA3 -0.022 3.939 3.960 0.003 0.000 0.249 271 G C 0.268 175.127 174.900 -0.068 0.000 0.981 271 G CA -0.049 45.010 45.100 -0.068 0.000 0.665 271 G HN 1.154 nan 8.290 nan 0.000 0.528 272 A N -0.211 122.560 122.820 -0.082 0.000 2.407 272 A HA 0.738 5.060 4.320 0.003 0.000 0.248 272 A C 1.463 179.016 177.584 -0.051 0.000 1.082 272 A CA 1.353 53.348 52.037 -0.070 0.000 0.785 272 A CB 0.481 19.432 19.000 -0.083 0.000 1.020 272 A HN 1.401 nan 8.150 nan 0.000 0.489 273 T N -1.944 112.584 114.554 -0.044 0.000 2.955 273 T HA 0.121 4.473 4.350 0.003 0.000 0.251 273 T C 0.191 174.872 174.700 -0.032 0.000 1.002 273 T CA 0.559 62.639 62.100 -0.033 0.000 0.970 273 T CB -0.103 68.747 68.868 -0.029 0.000 1.091 273 T HN 0.565 nan 8.240 nan 0.000 0.495 274 D N 1.782 122.159 120.400 -0.038 0.000 2.422 274 D HA 0.222 4.864 4.640 0.003 0.000 0.227 274 D C 0.944 177.219 176.300 -0.042 0.000 1.190 274 D CA -0.600 53.377 54.000 -0.038 0.000 0.905 274 D CB 0.190 40.965 40.800 -0.041 0.000 1.034 274 D HN 0.261 nan 8.370 nan 0.000 0.507 275 L N 2.532 123.735 121.223 -0.033 0.000 2.633 275 L HA -0.082 4.260 4.340 0.003 0.000 0.235 275 L C 2.011 178.856 176.870 -0.042 0.000 1.163 275 L CA 0.618 55.440 54.840 -0.031 0.000 0.859 275 L CB -0.317 41.733 42.059 -0.014 0.000 0.973 275 L HN 0.360 nan 8.230 nan 0.000 0.451 276 S N -2.243 113.428 115.700 -0.049 0.000 2.517 276 S HA -0.008 4.464 4.470 0.003 0.000 0.214 276 S C 0.979 175.526 174.600 -0.088 0.000 0.991 276 S CA -0.451 57.712 58.200 -0.062 0.000 0.906 276 S CB -0.221 62.949 63.200 -0.049 0.000 0.789 276 S HN 0.388 nan 8.310 nan 0.000 0.513 277 N N 3.091 121.739 118.700 -0.086 0.000 2.454 277 N HA -0.009 4.733 4.740 0.003 0.000 0.260 277 N C 1.032 176.455 175.510 -0.144 0.000 1.218 277 N CA 0.340 53.330 53.050 -0.100 0.000 0.904 277 N CB 1.036 39.474 38.487 -0.081 0.000 1.065 277 N HN 0.650 nan 8.380 nan 0.000 0.462 278 K N 1.542 121.839 120.400 -0.171 0.000 2.283 278 K HA -0.035 4.287 4.320 0.003 0.000 0.202 278 K C 1.395 177.826 176.600 -0.281 0.000 1.048 278 K CA 1.097 57.230 56.287 -0.257 0.000 0.948 278 K CB 0.040 32.364 32.500 -0.293 0.000 0.742 278 K HN 0.273 nan 8.250 nan 0.000 0.458 279 S N 1.272 116.868 115.700 -0.173 0.000 2.399 279 S HA -0.001 4.471 4.470 0.003 0.000 0.231 279 S C 1.736 176.222 174.600 -0.190 0.000 1.022 279 S CA 0.983 59.096 58.200 -0.146 0.000 0.983 279 S CB -0.272 62.967 63.200 0.065 0.000 0.803 279 S HN 0.264 nan 8.310 nan 0.000 0.480 280 L N 0.850 121.980 121.223 -0.156 0.000 2.083 280 L HA -0.100 4.242 4.340 0.003 0.000 0.209 280 L C 2.683 179.463 176.870 -0.150 0.000 1.083 280 L CA 1.219 55.989 54.840 -0.116 0.000 0.752 280 L CB -0.399 41.607 42.059 -0.088 0.000 0.899 280 L HN 0.236 nan 8.230 nan 0.000 0.433 281 R N -0.696 119.624 120.500 -0.299 0.000 2.075 281 R HA -0.096 4.246 4.340 0.003 0.000 0.232 281 R C 2.250 178.309 176.300 -0.401 0.000 1.126 281 R CA 1.068 56.862 56.100 -0.509 0.000 0.963 281 R CB -0.481 29.228 30.300 -0.984 0.000 0.858 281 R HN 0.180 nan 8.270 nan 0.000 0.435 282 V N 1.679 121.322 119.914 -0.452 0.000 2.295 282 V HA -0.250 3.872 4.120 0.003 0.000 0.246 282 V C 2.296 178.099 176.094 -0.485 0.000 1.049 282 V CA 1.792 63.745 62.300 -0.578 0.000 1.024 282 V CB -0.384 30.870 31.823 -0.949 0.000 0.648 282 V HN 0.264 nan 8.190 nan 0.000 0.447 283 I N 0.366 120.788 120.570 -0.247 0.000 2.226 283 I HA -0.222 3.950 4.170 0.003 0.000 0.245 283 I C 2.669 178.930 176.117 0.241 0.000 1.100 283 I CA 1.407 62.746 61.300 0.064 0.000 1.374 283 I CB -0.625 37.486 38.000 0.185 0.000 1.057 283 I HN 0.288 nan 8.210 nan 0.000 0.413 284 A N 0.626 123.559 122.820 0.187 0.000 1.908 284 A HA -0.320 4.002 4.320 0.003 0.000 0.218 284 A C 1.988 179.830 177.584 0.431 0.000 1.181 284 A CA 2.428 54.652 52.037 0.313 0.000 0.627 284 A CB -0.810 18.426 19.000 0.394 0.000 0.818 284 A HN 0.509 nan 8.150 nan 0.000 0.445 285 D N -1.675 118.979 120.400 0.422 0.000 2.097 285 D HA -0.201 4.441 4.640 0.003 0.000 0.195 285 D C 1.751 178.350 176.300 0.498 0.000 0.989 285 D CA 1.542 55.842 54.000 0.499 0.000 0.827 285 D CB -0.147 40.942 40.800 0.483 0.000 0.966 285 D HN 0.521 nan 8.370 nan 0.000 0.456 286 H N -0.550 118.687 119.070 0.278 0.000 2.389 286 H HA 0.009 4.567 4.556 0.003 0.000 0.299 286 H C 1.883 177.441 175.328 0.384 0.000 1.081 286 H CA 0.838 57.064 56.048 0.297 0.000 1.345 286 H CB -0.494 29.407 29.762 0.230 0.000 1.393 286 H HN 0.238 nan 8.280 nan 0.000 0.520 287 I N 0.935 121.790 120.570 0.474 0.000 2.361 287 I HA -0.215 3.957 4.170 0.003 0.000 0.251 287 I C 2.131 178.231 176.117 -0.028 0.000 1.133 287 I CA 1.200 62.529 61.300 0.049 0.000 1.413 287 I CB -0.147 37.747 38.000 -0.176 0.000 1.073 287 I HN 0.062 nan 8.210 nan 0.000 0.424 288 R N 0.174 120.686 120.500 0.020 0.000 2.070 288 R HA -0.138 4.204 4.340 0.003 0.000 0.233 288 R C 2.450 178.627 176.300 -0.204 0.000 1.137 288 R CA 1.931 57.911 56.100 -0.200 0.000 0.945 288 R CB -1.010 29.127 30.300 -0.272 0.000 0.845 288 R HN 0.560 nan 8.270 nan 0.000 0.430 289 S N 0.669 116.412 115.700 0.071 0.000 2.356 289 S HA -0.157 4.315 4.470 0.003 0.000 0.223 289 S C 2.444 177.081 174.600 0.063 0.000 1.032 289 S CA 1.318 59.609 58.200 0.151 0.000 1.005 289 S CB -0.776 62.530 63.200 0.176 0.000 0.867 289 S HN 0.344 nan 8.310 nan 0.000 0.449 290 C N 2.294 121.637 119.300 0.073 0.000 2.432 290 C HA 0.200 4.662 4.460 0.003 0.000 0.277 290 C C 3.393 178.369 174.990 -0.023 0.000 1.249 290 C CA 0.595 59.647 59.018 0.057 0.000 1.725 290 C CB -1.723 26.143 27.740 0.209 0.000 2.028 290 C HN 0.752 nan 8.230 nan 0.000 0.477 291 A N -0.184 122.575 122.820 -0.103 0.000 1.877 291 A HA -0.117 4.205 4.320 0.003 0.000 0.216 291 A C 1.886 179.335 177.584 -0.226 0.000 1.186 291 A CA 1.544 53.454 52.037 -0.212 0.000 0.620 291 A CB -0.839 17.961 19.000 -0.332 0.000 0.822 291 A HN 0.514 nan 8.150 nan 0.000 0.443 292 F N -0.093 119.735 119.950 -0.203 0.000 2.186 292 F HA -0.060 4.469 4.527 0.003 0.000 0.299 292 F C 2.111 177.873 175.800 -0.064 0.000 1.090 292 F CA 1.179 59.101 58.000 -0.130 0.000 1.307 292 F CB -0.304 38.618 39.000 -0.131 0.000 1.019 292 F HN 0.094 nan 8.300 nan 0.000 0.489 293 L N -0.403 120.868 121.223 0.080 0.000 2.046 293 L HA -0.243 4.099 4.340 0.003 0.000 0.208 293 L C 2.291 179.163 176.870 0.003 0.000 1.077 293 L CA 1.325 56.152 54.840 -0.021 0.000 0.747 293 L CB -0.609 41.358 42.059 -0.154 0.000 0.896 293 L HN 0.136 nan 8.230 nan 0.000 0.432 294 I N -0.322 120.240 120.570 -0.015 0.000 2.252 294 I HA -0.258 3.914 4.170 0.003 0.000 0.245 294 I C 2.767 178.869 176.117 -0.025 0.000 1.102 294 I CA 1.076 62.367 61.300 -0.016 0.000 1.385 294 I CB -0.487 37.492 38.000 -0.036 0.000 1.064 294 I HN 0.185 nan 8.210 nan 0.000 0.414 295 A N 0.200 122.984 122.820 -0.060 0.000 1.972 295 A HA -0.216 4.106 4.320 0.003 0.000 0.219 295 A C 1.674 179.259 177.584 0.001 0.000 1.169 295 A CA 1.879 53.876 52.037 -0.066 0.000 0.635 295 A CB -0.448 18.459 19.000 -0.156 0.000 0.810 295 A HN 0.335 nan 8.150 nan 0.000 0.446 296 D N -1.610 118.815 120.400 0.043 0.000 2.328 296 D HA 0.321 4.963 4.640 0.003 0.000 0.226 296 D C 1.250 177.593 176.300 0.072 0.000 1.066 296 D CA 1.069 55.112 54.000 0.071 0.000 0.861 296 D CB 0.243 41.106 40.800 0.105 0.000 0.912 296 D HN 0.585 nan 8.370 nan 0.000 0.521 297 G N -0.391 108.442 108.800 0.055 0.000 2.184 297 G HA2 -0.247 3.715 3.960 0.003 0.000 0.206 297 G HA3 -0.247 3.715 3.960 0.003 0.000 0.206 297 G C 0.323 175.269 174.900 0.076 0.000 0.995 297 G CA -0.061 45.075 45.100 0.062 0.000 0.651 297 G HN 0.238 nan 8.290 nan 0.000 0.511 298 V N 2.987 122.953 119.914 0.087 0.000 2.555 298 V HA 0.627 4.749 4.120 0.003 0.000 0.286 298 V C 0.666 176.806 176.094 0.077 0.000 1.044 298 V CA 0.064 62.431 62.300 0.110 0.000 1.026 298 V CB 1.424 33.334 31.823 0.144 0.000 0.981 298 V HN 0.307 nan 8.190 nan 0.000 0.480 299 M N 5.859 125.508 119.600 0.081 0.000 2.383 299 M HA 0.479 4.961 4.480 0.003 0.000 0.325 299 M C -2.672 173.674 176.300 0.077 0.000 1.092 299 M CA -2.685 52.653 55.300 0.063 0.000 0.961 299 M CB 1.530 34.160 32.600 0.050 0.000 1.672 299 M HN 0.290 nan 8.290 nan 0.000 0.438 300 P HA 0.141 nan 4.420 nan 0.000 0.265 300 P C -0.492 176.860 177.300 0.087 0.000 1.193 300 P CA 0.180 63.327 63.100 0.078 0.000 0.765 300 P CB 0.563 32.297 31.700 0.057 0.000 0.823 301 S N 1.660 117.434 115.700 0.123 0.000 2.727 301 S HA 0.382 4.853 4.470 0.003 0.000 0.278 301 S C -0.142 174.558 174.600 0.166 0.000 1.186 301 S CA -0.737 57.529 58.200 0.111 0.000 0.836 301 S CB 0.792 64.045 63.200 0.089 0.000 1.186 301 S HN 0.213 nan 8.310 nan 0.000 0.499 302 N N 1.357 120.096 118.700 0.064 0.000 2.238 302 N HA 0.280 5.022 4.740 0.003 0.000 0.222 302 N C -0.969 174.441 175.510 -0.168 0.000 1.133 302 N CA 0.150 53.146 53.050 -0.089 0.000 0.854 302 N CB 0.288 38.687 38.487 -0.147 0.000 1.041 302 N HN 0.754 nan 8.380 nan 0.000 0.510 303 E N -0.878 119.332 120.200 0.018 0.000 2.356 303 E HA 0.465 4.817 4.350 0.003 0.000 0.275 303 E C 0.310 176.977 176.600 0.112 0.000 0.904 303 E CA -0.833 55.584 56.400 0.029 0.000 0.757 303 E CB 1.154 30.857 29.700 0.005 0.000 1.232 303 E HN -0.230 nan 8.360 nan 0.000 0.442 304 N N 1.121 119.882 118.700 0.101 0.000 1.156 304 N HA -0.346 4.396 4.740 0.003 0.000 0.125 304 N C 1.108 176.677 175.510 0.098 0.000 0.726 304 N CA 1.858 54.951 53.050 0.072 0.000 0.887 304 N CB -0.750 37.750 38.487 0.022 0.000 1.163 304 N HN 0.744 nan 8.380 nan 0.000 0.564 305 R N 0.846 121.379 120.500 0.054 0.000 2.091 305 R HA -0.070 4.272 4.340 0.003 0.000 0.238 305 R C 2.352 178.810 176.300 0.262 0.000 1.136 305 R CA 1.728 57.906 56.100 0.131 0.000 0.959 305 R CB -0.786 29.603 30.300 0.149 0.000 0.856 305 R HN 0.683 nan 8.270 nan 0.000 0.437 306 G N -0.058 108.859 108.800 0.196 0.000 2.450 306 G HA2 -0.309 3.653 3.960 0.003 0.000 0.220 306 G HA3 -0.309 3.653 3.960 0.003 0.000 0.220 306 G C 1.157 176.190 174.900 0.221 0.000 1.130 306 G CA 0.523 45.734 45.100 0.185 0.000 0.760 306 G HN 0.310 nan 8.290 nan 0.000 0.557 307 Y N 1.081 121.433 120.300 0.087 0.000 2.286 307 Y HA 0.029 4.581 4.550 0.004 0.000 0.293 307 Y C 2.779 178.731 175.900 0.086 0.000 1.124 307 Y CA 0.547 58.692 58.100 0.074 0.000 1.178 307 Y CB -0.193 38.313 38.460 0.077 0.000 1.010 307 Y HN 0.044 nan 8.280 nan 0.000 0.536 308 V N 0.178 120.156 119.914 0.106 0.000 2.287 308 V HA -0.298 3.824 4.120 0.003 0.000 0.248 308 V C 2.391 178.504 176.094 0.031 0.000 1.053 308 V CA 1.797 64.135 62.300 0.064 0.000 1.027 308 V CB -1.094 30.895 31.823 0.276 0.000 0.646 308 V HN 0.432 nan 8.190 nan 0.000 0.447 309 L N 0.681 121.967 121.223 0.104 0.000 2.012 309 L HA -0.181 4.161 4.340 0.003 0.000 0.210 309 L C 2.616 179.473 176.870 -0.022 0.000 1.073 309 L CA 2.411 57.276 54.840 0.041 0.000 0.748 309 L CB -0.785 41.321 42.059 0.078 0.000 0.891 309 L HN 0.271 nan 8.230 nan 0.000 0.431 310 R N -0.656 119.828 120.500 -0.026 0.000 2.091 310 R HA -0.194 4.148 4.340 0.003 0.000 0.238 310 R C 2.447 178.618 176.300 -0.215 0.000 1.136 310 R CA 1.828 57.880 56.100 -0.080 0.000 0.959 310 R CB -0.239 30.069 30.300 0.013 0.000 0.856 310 R HN 0.352 nan 8.270 nan 0.000 0.437 311 R N 0.063 120.372 120.500 -0.319 0.000 2.083 311 R HA -0.101 4.241 4.340 0.003 0.000 0.237 311 R C 2.366 178.527 176.300 -0.232 0.000 1.137 311 R CA 2.021 57.911 56.100 -0.349 0.000 0.951 311 R CB -0.376 29.677 30.300 -0.412 0.000 0.851 311 R HN 0.322 nan 8.270 nan 0.000 0.434 312 I N 0.382 120.837 120.570 -0.192 0.000 2.252 312 I HA -0.256 3.916 4.170 0.003 0.000 0.245 312 I C 2.231 178.251 176.117 -0.162 0.000 1.102 312 I CA 1.219 62.381 61.300 -0.229 0.000 1.385 312 I CB -0.273 37.568 38.000 -0.264 0.000 1.064 312 I HN 0.124 nan 8.210 nan 0.000 0.414 313 I N 0.642 121.144 120.570 -0.113 0.000 2.163 313 I HA -0.311 3.861 4.170 0.003 0.000 0.243 313 I C 2.770 178.742 176.117 -0.242 0.000 1.085 313 I CA 1.581 62.804 61.300 -0.128 0.000 1.347 313 I CB -0.435 37.560 38.000 -0.008 0.000 1.044 313 I HN 0.165 nan 8.210 nan 0.000 0.408 314 R N 0.347 120.685 120.500 -0.270 0.000 2.096 314 R HA -0.114 4.228 4.340 0.003 0.000 0.235 314 R C 2.443 178.646 176.300 -0.162 0.000 1.127 314 R CA 1.099 56.964 56.100 -0.392 0.000 0.968 314 R CB -0.316 29.426 30.300 -0.930 0.000 0.861 314 R HN 0.374 nan 8.270 nan 0.000 0.440 315 R N 0.357 120.793 120.500 -0.107 0.000 2.096 315 R HA -0.061 4.281 4.340 0.003 0.000 0.235 315 R C 2.337 178.754 176.300 0.195 0.000 1.127 315 R CA 1.321 57.462 56.100 0.069 0.000 0.968 315 R CB -0.299 30.089 30.300 0.147 0.000 0.861 315 R HN 0.198 nan 8.270 nan 0.000 0.440 316 A N 0.583 123.457 122.820 0.090 0.000 1.877 316 A HA -0.110 4.211 4.320 0.003 0.000 0.216 316 A C 2.322 179.885 177.584 -0.033 0.000 1.186 316 A CA 1.334 53.337 52.037 -0.058 0.000 0.620 316 A CB -0.540 18.109 19.000 -0.585 0.000 0.822 316 A HN 0.114 nan 8.150 nan 0.000 0.443 317 V N 0.303 120.140 119.914 -0.129 0.000 2.343 317 V HA -0.240 3.882 4.120 0.003 0.000 0.247 317 V C 2.747 178.967 176.094 0.210 0.000 1.051 317 V CA 2.130 64.486 62.300 0.093 0.000 1.036 317 V CB -0.839 31.050 31.823 0.110 0.000 0.654 317 V HN 0.546 nan 8.190 nan 0.000 0.451 318 R N -0.525 120.059 120.500 0.140 0.000 2.083 318 R HA -0.170 4.172 4.340 0.003 0.000 0.237 318 R C 2.287 178.571 176.300 -0.026 0.000 1.137 318 R CA 1.833 57.952 56.100 0.032 0.000 0.951 318 R CB -0.753 29.519 30.300 -0.045 0.000 0.851 318 R HN 0.608 nan 8.270 nan 0.000 0.434 319 H N -1.215 117.864 119.070 0.016 0.000 2.387 319 H HA -0.073 4.485 4.556 0.003 0.000 0.299 319 H C 1.852 177.151 175.328 -0.048 0.000 1.090 319 H CA 1.516 57.548 56.048 -0.027 0.000 1.332 319 H CB -0.185 29.541 29.762 -0.060 0.000 1.386 319 H HN 0.410 nan 8.280 nan 0.000 0.516 320 G N 1.045 109.920 108.800 0.125 0.000 2.422 320 G HA2 -0.308 3.653 3.960 0.003 0.000 0.218 320 G HA3 -0.308 3.653 3.960 0.003 0.000 0.218 320 G C 1.696 176.513 174.900 -0.138 0.000 1.146 320 G CA 0.660 45.645 45.100 -0.192 0.000 0.769 320 G HN 0.407 nan 8.290 nan 0.000 0.547 321 N N 0.435 119.137 118.700 0.004 0.000 2.120 321 N HA -0.106 4.636 4.740 0.003 0.000 0.188 321 N C 2.205 177.682 175.510 -0.055 0.000 1.024 321 N CA 1.459 54.497 53.050 -0.020 0.000 0.852 321 N CB -0.288 38.194 38.487 -0.009 0.000 1.003 321 N HN 0.364 nan 8.380 nan 0.000 0.424 322 M N 0.486 120.046 119.600 -0.067 0.000 2.213 322 M HA -0.081 4.401 4.480 0.003 0.000 0.263 322 M C 1.709 177.968 176.300 -0.069 0.000 1.062 322 M CA 1.147 56.403 55.300 -0.072 0.000 1.105 322 M CB 0.090 32.633 32.600 -0.095 0.000 1.385 322 M HN 0.153 nan 8.290 nan 0.000 0.417 323 L N -0.646 120.525 121.223 -0.087 0.000 2.478 323 L HA 0.102 4.444 4.340 0.003 0.000 0.223 323 L C 1.224 178.030 176.870 -0.106 0.000 1.140 323 L CA 0.573 55.352 54.840 -0.102 0.000 0.842 323 L CB -0.326 41.650 42.059 -0.138 0.000 0.953 323 L HN 0.663 nan 8.230 nan 0.000 0.452 324 G N 0.039 108.778 108.800 -0.101 0.000 2.131 324 G HA2 -0.195 3.767 3.960 0.003 0.000 0.201 324 G HA3 -0.195 3.767 3.960 0.003 0.000 0.201 324 G C 0.311 175.157 174.900 -0.090 0.000 1.000 324 G CA -0.191 44.862 45.100 -0.079 0.000 0.680 324 G HN 0.437 nan 8.290 nan 0.000 0.514 325 A N -0.454 122.282 122.820 -0.141 0.000 2.548 325 A HA 0.595 4.917 4.320 0.003 0.000 0.247 325 A C 1.198 178.772 177.584 -0.018 0.000 1.067 325 A CA 1.274 53.229 52.037 -0.136 0.000 0.757 325 A CB 0.289 19.109 19.000 -0.299 0.000 0.996 325 A HN 0.391 nan 8.150 nan 0.000 0.504 326 K N 0.624 121.027 120.400 0.005 0.000 2.361 326 K HA 0.084 4.406 4.320 0.003 0.000 0.194 326 K C 0.426 177.065 176.600 0.065 0.000 1.032 326 K CA 1.020 57.324 56.287 0.028 0.000 1.048 326 K CB 0.345 32.853 32.500 0.014 0.000 0.842 326 K HN 0.918 nan 8.250 nan 0.000 0.526 327 E N -1.221 119.042 120.200 0.105 0.000 2.429 327 E HA 0.258 4.610 4.350 0.003 0.000 0.276 327 E C -1.062 175.681 176.600 0.238 0.000 0.953 327 E CA -0.930 55.554 56.400 0.141 0.000 0.787 327 E CB 0.872 30.641 29.700 0.115 0.000 1.307 327 E HN -0.231 nan 8.360 nan 0.000 0.458 328 T N 1.922 116.614 114.554 0.230 0.000 2.866 328 T HA 0.047 4.399 4.350 0.003 0.000 0.293 328 T C 0.188 175.072 174.700 0.306 0.000 1.005 328 T CA 0.669 62.933 62.100 0.273 0.000 1.162 328 T CB -0.378 68.656 68.868 0.276 0.000 0.968 328 T HN 0.519 nan 8.240 nan 0.000 0.530 329 F N 0.711 120.748 119.950 0.146 0.000 2.729 329 F HA 0.397 4.926 4.527 0.003 0.000 0.304 329 F C 1.423 177.230 175.800 0.012 0.000 1.008 329 F CA -0.592 57.417 58.000 0.015 0.000 1.188 329 F CB -0.361 38.666 39.000 0.045 0.000 0.980 329 F HN 0.451 nan 8.300 nan 0.000 0.627 330 F N 2.545 121.910 119.950 -0.975 0.000 2.134 330 F HA -0.131 4.398 4.527 0.003 0.000 0.299 330 F C 2.579 178.239 175.800 -0.233 0.000 1.097 330 F CA 1.784 59.385 58.000 -0.665 0.000 1.264 330 F CB -0.987 37.633 39.000 -0.633 0.000 1.001 330 F HN 0.262 nan 8.300 nan 0.000 0.479 331 Y N -0.208 119.994 120.300 -0.164 0.000 2.403 331 Y HA -0.048 4.504 4.550 0.004 0.000 0.291 331 Y C 1.813 177.628 175.900 -0.141 0.000 1.143 331 Y CA 1.164 59.154 58.100 -0.183 0.000 1.257 331 Y CB -1.324 37.079 38.460 -0.096 0.000 0.984 331 Y HN -0.025 nan 8.280 nan 0.000 0.550 332 K N 0.733 120.646 120.400 -0.811 0.000 2.504 332 K HA 0.057 4.379 4.320 0.003 0.000 0.195 332 K C 1.305 177.753 176.600 -0.253 0.000 1.036 332 K CA 0.813 56.762 56.287 -0.562 0.000 0.984 332 K CB -0.079 32.121 32.500 -0.500 0.000 0.788 332 K HN 0.454 nan 8.250 nan 0.000 0.488 333 L N 0.054 121.135 121.223 -0.236 0.000 2.567 333 L HA -0.018 4.324 4.340 0.003 0.000 0.225 333 L C 1.824 178.576 176.870 -0.197 0.000 1.119 333 L CA -0.053 54.685 54.840 -0.171 0.000 0.871 333 L CB 0.100 42.073 42.059 -0.143 0.000 1.036 333 L HN -0.085 nan 8.230 nan 0.000 0.459 334 V N 0.452 120.234 119.914 -0.219 0.000 2.295 334 V HA -0.209 3.913 4.120 0.003 0.000 0.246 334 V C 2.624 178.622 176.094 -0.159 0.000 1.049 334 V CA 2.155 64.331 62.300 -0.206 0.000 1.024 334 V CB -1.166 30.550 31.823 -0.177 0.000 0.648 334 V HN 0.563 nan 8.190 nan 0.000 0.447 335 G N 0.686 109.415 108.800 -0.120 0.000 2.480 335 G HA2 -0.210 3.751 3.960 0.003 0.000 0.216 335 G HA3 -0.210 3.751 3.960 0.003 0.000 0.216 335 G C -0.150 174.697 174.900 -0.088 0.000 1.200 335 G CA 1.260 46.305 45.100 -0.092 0.000 0.782 335 G HN 0.507 nan 8.290 nan 0.000 0.554 336 P HA -0.110 nan 4.420 nan 0.000 0.216 336 P C 2.009 179.260 177.300 -0.082 0.000 1.150 336 P CA 0.707 63.765 63.100 -0.069 0.000 0.843 336 P CB -0.109 31.556 31.700 -0.058 0.000 0.787 337 L N -0.787 120.371 121.223 -0.109 0.000 2.027 337 L HA -0.115 4.227 4.340 0.003 0.000 0.206 337 L C 2.209 179.014 176.870 -0.108 0.000 1.074 337 L CA 1.693 56.461 54.840 -0.121 0.000 0.745 337 L CB -1.235 40.727 42.059 -0.161 0.000 0.898 337 L HN -0.133 nan 8.230 nan 0.000 0.433 338 I N -0.109 120.385 120.570 -0.126 0.000 2.264 338 I HA -0.312 3.860 4.170 0.003 0.000 0.248 338 I C 1.833 177.911 176.117 -0.065 0.000 1.111 338 I CA 1.437 62.673 61.300 -0.106 0.000 1.382 338 I CB -0.542 37.389 38.000 -0.115 0.000 1.060 338 I HN 0.297 nan 8.210 nan 0.000 0.418 339 D N 0.065 120.427 120.400 -0.063 0.000 2.264 339 D HA -0.108 4.534 4.640 0.003 0.000 0.208 339 D C 2.031 178.304 176.300 -0.045 0.000 0.966 339 D CA 1.340 55.311 54.000 -0.048 0.000 0.864 339 D CB 0.021 40.794 40.800 -0.045 0.000 0.933 339 D HN 0.400 nan 8.370 nan 0.000 0.499 340 V N -2.986 116.893 119.914 -0.058 0.000 3.660 340 V HA 0.152 4.273 4.120 0.003 0.000 0.276 340 V C 1.603 177.661 176.094 -0.060 0.000 1.317 340 V CA 0.106 62.365 62.300 -0.067 0.000 1.097 340 V CB 0.189 31.951 31.823 -0.102 0.000 0.863 340 V HN -0.074 nan 8.190 nan 0.000 0.438 341 M N 1.097 120.679 119.600 -0.030 0.000 2.509 341 M HA 0.377 4.859 4.480 0.003 0.000 0.250 341 M C 1.618 177.933 176.300 0.024 0.000 1.132 341 M CA 0.911 56.220 55.300 0.014 0.000 1.080 341 M CB -0.719 31.949 32.600 0.113 0.000 1.408 341 M HN 0.665 nan 8.290 nan 0.000 0.484 342 G N 1.452 110.256 108.800 0.006 0.000 2.596 342 G HA2 -0.374 3.588 3.960 0.003 0.000 0.295 342 G HA3 -0.374 3.588 3.960 0.003 0.000 0.295 342 G C 0.893 175.808 174.900 0.025 0.000 1.240 342 G CA 1.329 46.435 45.100 0.010 0.000 0.985 342 G HN 0.486 nan 8.290 nan 0.000 0.555 343 S N -0.011 115.705 115.700 0.027 0.000 2.447 343 S HA 0.238 4.710 4.470 0.003 0.000 0.233 343 S C 2.490 177.125 174.600 0.059 0.000 1.006 343 S CA 1.720 59.940 58.200 0.035 0.000 0.957 343 S CB -0.335 62.882 63.200 0.028 0.000 0.773 343 S HN 2.051 nan 8.310 nan 0.000 0.507 344 A N 1.157 124.019 122.820 0.070 0.000 2.209 344 A HA 0.401 4.723 4.320 0.003 0.000 0.212 344 A C 1.953 179.681 177.584 0.241 0.000 1.158 344 A CA 0.850 52.951 52.037 0.108 0.000 0.742 344 A CB -0.913 18.123 19.000 0.060 0.000 0.790 344 A HN 0.647 nan 8.150 nan 0.000 0.472 345 G N -1.178 107.741 108.800 0.199 0.000 3.233 345 G HA2 0.198 4.160 3.960 0.003 0.000 0.234 345 G HA3 0.198 4.160 3.960 0.003 0.000 0.234 345 G C 0.889 175.814 174.900 0.042 0.000 1.137 345 G CA 0.349 45.564 45.100 0.192 0.000 0.763 345 G HN 0.567 nan 8.290 nan 0.000 0.549 346 E N 0.932 121.169 120.200 0.061 0.000 2.065 346 E HA -0.185 4.167 4.350 0.003 0.000 0.201 346 E C 1.566 178.162 176.600 -0.008 0.000 1.016 346 E CA 1.498 57.909 56.400 0.019 0.000 0.818 346 E CB 0.073 29.793 29.700 0.032 0.000 0.749 346 E HN 0.260 nan 8.360 nan 0.000 0.453 347 D N 0.213 120.624 120.400 0.018 0.000 2.178 347 D HA -0.121 4.520 4.640 0.003 0.000 0.202 347 D C 1.969 178.208 176.300 -0.102 0.000 0.974 347 D CA 0.524 54.518 54.000 -0.011 0.000 0.841 347 D CB -0.070 40.760 40.800 0.049 0.000 0.953 347 D HN 0.086 nan 8.370 nan 0.000 0.478 348 L N 1.351 122.442 121.223 -0.219 0.000 2.072 348 L HA -0.066 4.275 4.340 0.003 0.000 0.205 348 L C 2.095 178.828 176.870 -0.230 0.000 1.079 348 L CA 1.683 56.301 54.840 -0.370 0.000 0.752 348 L CB -0.440 41.159 42.059 -0.767 0.000 0.906 348 L HN -0.199 nan 8.230 nan 0.000 0.436 349 K N -0.393 119.908 120.400 -0.166 0.000 2.057 349 K HA -0.260 4.062 4.320 0.003 0.000 0.207 349 K C 2.421 178.971 176.600 -0.084 0.000 1.049 349 K CA 1.620 57.840 56.287 -0.111 0.000 0.931 349 K CB -0.219 32.236 32.500 -0.075 0.000 0.714 349 K HN 0.292 nan 8.250 nan 0.000 0.440 350 R N 0.556 121.014 120.500 -0.071 0.000 2.127 350 R HA -0.145 4.197 4.340 0.003 0.000 0.238 350 R C 0.867 177.133 176.300 -0.057 0.000 1.134 350 R CA 1.817 57.886 56.100 -0.052 0.000 0.975 350 R CB 0.093 30.371 30.300 -0.038 0.000 0.865 350 R HN 0.329 nan 8.270 nan 0.000 0.447 351 Q N -0.549 119.204 119.800 -0.078 0.000 2.165 351 Q HA 0.029 4.371 4.340 0.003 0.000 0.245 351 Q C 0.816 176.762 176.000 -0.090 0.000 0.841 351 Q CA -0.279 55.479 55.803 -0.075 0.000 1.078 351 Q CB 1.148 29.841 28.738 -0.074 0.000 1.169 351 Q HN 0.371 nan 8.270 nan 0.000 0.475 352 Q N 1.233 120.977 119.800 -0.092 0.000 2.062 352 Q HA -0.275 4.067 4.340 0.003 0.000 0.209 352 Q C 1.871 177.829 176.000 -0.070 0.000 0.996 352 Q CA 2.209 57.955 55.803 -0.095 0.000 0.859 352 Q CB -0.053 28.636 28.738 -0.081 0.000 0.920 352 Q HN 0.505 nan 8.270 nan 0.000 0.415 353 A N 0.581 123.370 122.820 -0.052 0.000 1.908 353 A HA -0.272 4.050 4.320 0.003 0.000 0.218 353 A C 2.056 179.611 177.584 -0.047 0.000 1.181 353 A CA 1.748 53.761 52.037 -0.041 0.000 0.627 353 A CB -0.875 18.104 19.000 -0.034 0.000 0.818 353 A HN 0.650 nan 8.150 nan 0.000 0.445 354 Q N -0.139 119.631 119.800 -0.049 0.000 2.050 354 Q HA -0.138 4.204 4.340 0.003 0.000 0.202 354 Q C 2.070 178.038 176.000 -0.053 0.000 0.980 354 Q CA 2.125 57.900 55.803 -0.047 0.000 0.840 354 Q CB -0.222 28.491 28.738 -0.041 0.000 0.898 354 Q HN 0.432 nan 8.270 nan 0.000 0.424 355 V N 1.295 121.167 119.914 -0.069 0.000 2.343 355 V HA -0.259 3.863 4.120 0.003 0.000 0.247 355 V C 2.062 178.117 176.094 -0.066 0.000 1.051 355 V CA 2.167 64.418 62.300 -0.082 0.000 1.036 355 V CB -0.600 31.144 31.823 -0.132 0.000 0.654 355 V HN 0.396 nan 8.190 nan 0.000 0.451 356 E N -0.346 119.823 120.200 -0.051 0.000 2.085 356 E HA -0.314 4.037 4.350 0.003 0.000 0.194 356 E C 2.293 178.854 176.600 -0.065 0.000 0.994 356 E CA 1.563 57.963 56.400 0.000 0.000 0.801 356 E CB -0.162 29.569 29.700 0.052 0.000 0.743 356 E HN 0.481 nan 8.360 nan 0.000 0.453 357 Q N 0.607 120.355 119.800 -0.088 0.000 2.079 357 Q HA -0.116 4.226 4.340 0.003 0.000 0.200 357 Q C 2.088 178.039 176.000 -0.081 0.000 0.974 357 Q CA 1.181 56.915 55.803 -0.116 0.000 0.840 357 Q CB -0.201 28.485 28.738 -0.086 0.000 0.898 357 Q HN 0.126 nan 8.270 nan 0.000 0.430 358 V N 0.436 120.322 119.914 -0.047 0.000 2.287 358 V HA -0.271 3.851 4.120 0.003 0.000 0.248 358 V C 2.309 178.404 176.094 0.002 0.000 1.053 358 V CA 1.820 64.108 62.300 -0.019 0.000 1.027 358 V CB -0.604 31.212 31.823 -0.011 0.000 0.646 358 V HN 0.361 nan 8.190 nan 0.000 0.447 359 L N -0.406 120.823 121.223 0.011 0.000 2.093 359 L HA -0.184 4.158 4.340 0.003 0.000 0.208 359 L C 2.571 179.491 176.870 0.083 0.000 1.085 359 L CA 1.785 56.671 54.840 0.077 0.000 0.755 359 L CB -0.581 41.516 42.059 0.063 0.000 0.904 359 L HN 0.311 nan 8.230 nan 0.000 0.435 360 K N -0.194 120.193 120.400 -0.023 0.000 2.026 360 K HA -0.168 4.154 4.320 0.003 0.000 0.208 360 K C 2.051 178.616 176.600 -0.058 0.000 1.048 360 K CA 1.926 58.131 56.287 -0.136 0.000 0.929 360 K CB -0.064 32.118 32.500 -0.531 0.000 0.713 360 K HN 0.153 nan 8.250 nan 0.000 0.439 361 T N 0.759 115.280 114.554 -0.054 0.000 2.684 361 T HA -0.170 4.182 4.350 0.003 0.000 0.267 361 T C 1.626 176.343 174.700 0.028 0.000 1.036 361 T CA 1.795 63.884 62.100 -0.017 0.000 1.148 361 T CB -0.259 68.598 68.868 -0.019 0.000 0.863 361 T HN 0.364 nan 8.240 nan 0.000 0.436 362 E N 1.243 121.469 120.200 0.043 0.000 2.077 362 E HA -0.138 4.214 4.350 0.003 0.000 0.193 362 E C 2.113 178.778 176.600 0.109 0.000 0.989 362 E CA 1.486 57.927 56.400 0.068 0.000 0.800 362 E CB -0.187 29.550 29.700 0.061 0.000 0.746 362 E HN 0.632 nan 8.360 nan 0.000 0.452 363 E N 0.053 120.318 120.200 0.108 0.000 2.072 363 E HA -0.221 4.131 4.350 0.003 0.000 0.191 363 E C 1.883 178.562 176.600 0.132 0.000 0.985 363 E CA 1.258 57.737 56.400 0.131 0.000 0.801 363 E CB -0.060 29.693 29.700 0.088 0.000 0.750 363 E HN 0.362 nan 8.360 nan 0.000 0.452 364 E N 0.108 120.362 120.200 0.090 0.000 2.077 364 E HA -0.271 4.081 4.350 0.003 0.000 0.193 364 E C 2.135 178.786 176.600 0.086 0.000 0.989 364 E CA 1.350 57.793 56.400 0.071 0.000 0.800 364 E CB -0.078 29.643 29.700 0.035 0.000 0.746 364 E HN 0.171 nan 8.360 nan 0.000 0.452 365 Q N 0.342 120.202 119.800 0.101 0.000 2.061 365 Q HA -0.204 4.138 4.340 0.003 0.000 0.204 365 Q C 1.807 177.928 176.000 0.201 0.000 0.984 365 Q CA 1.488 57.362 55.803 0.119 0.000 0.846 365 Q CB -0.393 28.407 28.738 0.103 0.000 0.902 365 Q HN 0.284 nan 8.270 nan 0.000 0.421 366 F N 0.310 120.285 119.950 0.042 0.000 2.259 366 F HA 0.140 4.669 4.527 0.003 0.000 0.298 366 F C 1.890 177.738 175.800 0.080 0.000 1.088 366 F CA 0.917 58.952 58.000 0.058 0.000 1.358 366 F CB -0.853 38.161 39.000 0.023 0.000 1.040 366 F HN 0.169 nan 8.300 nan 0.000 0.505 367 A N 0.526 123.354 122.820 0.013 0.000 2.070 367 A HA -0.182 4.140 4.320 0.003 0.000 0.220 367 A C 2.272 179.831 177.584 -0.042 0.000 1.159 367 A CA 1.260 53.251 52.037 -0.077 0.000 0.656 367 A CB -0.735 18.269 19.000 0.006 0.000 0.800 367 A HN 0.453 nan 8.150 nan 0.000 0.453 368 R N -0.693 119.818 120.500 0.018 0.000 2.193 368 R HA -0.077 4.265 4.340 0.003 0.000 0.229 368 R C 1.554 177.881 176.300 0.044 0.000 1.110 368 R CA 1.656 57.777 56.100 0.035 0.000 0.988 368 R CB -0.237 30.095 30.300 0.052 0.000 0.871 368 R HN 0.733 nan 8.270 nan 0.000 0.458 369 T N -3.620 110.962 114.554 0.046 0.000 3.009 369 T HA 0.101 4.453 4.350 0.003 0.000 0.267 369 T C 1.375 176.145 174.700 0.116 0.000 0.942 369 T CA -0.422 61.769 62.100 0.152 0.000 0.883 369 T CB 0.039 69.074 68.868 0.279 0.000 1.192 369 T HN 0.001 nan 8.240 nan 0.000 0.524 370 L N 2.364 123.464 121.223 -0.206 0.000 1.955 370 L HA 0.052 4.394 4.340 0.003 0.000 0.213 370 L C 2.340 179.196 176.870 -0.024 0.000 1.072 370 L CA 2.081 56.726 54.840 -0.326 0.000 0.755 370 L CB -0.803 40.809 42.059 -0.745 0.000 0.888 370 L HN 0.273 nan 8.230 nan 0.000 0.432 371 E N -0.748 119.418 120.200 -0.056 0.000 2.110 371 E HA -0.220 4.132 4.350 0.003 0.000 0.193 371 E C 2.234 178.820 176.600 -0.023 0.000 0.988 371 E CA 1.219 57.605 56.400 -0.024 0.000 0.804 371 E CB -0.137 29.549 29.700 -0.023 0.000 0.745 371 E HN 0.516 nan 8.360 nan 0.000 0.458 372 R N 0.112 120.612 120.500 0.000 0.000 2.081 372 R HA -0.097 4.245 4.340 0.003 0.000 0.235 372 R C 2.511 178.656 176.300 -0.258 0.000 1.131 372 R CA 1.201 57.299 56.100 -0.004 0.000 0.960 372 R CB -0.472 29.927 30.300 0.165 0.000 0.856 372 R HN 0.183 nan 8.270 nan 0.000 0.436 373 G N 1.156 109.713 108.800 -0.405 0.000 2.402 373 G HA2 -0.189 3.773 3.960 0.003 0.000 0.216 373 G HA3 -0.189 3.773 3.960 0.003 0.000 0.216 373 G C 1.476 176.051 174.900 -0.540 0.000 1.162 373 G CA 0.272 44.731 45.100 -1.069 0.000 0.777 373 G HN 0.107 nan 8.290 nan 0.000 0.539 374 L N 0.640 121.813 121.223 -0.083 0.000 2.083 374 L HA -0.048 4.294 4.340 0.003 0.000 0.209 374 L C 3.402 180.225 176.870 -0.079 0.000 1.083 374 L CA 0.904 55.751 54.840 0.012 0.000 0.752 374 L CB -0.391 41.705 42.059 0.061 0.000 0.899 374 L HN 0.310 nan 8.230 nan 0.000 0.433 375 A N 0.180 122.934 122.820 -0.109 0.000 1.877 375 A HA -0.242 4.080 4.320 0.003 0.000 0.216 375 A C 2.213 179.723 177.584 -0.123 0.000 1.186 375 A CA 1.804 53.785 52.037 -0.093 0.000 0.620 375 A CB -0.709 18.248 19.000 -0.072 0.000 0.822 375 A HN 0.330 nan 8.150 nan 0.000 0.443 376 L N -0.779 120.310 121.223 -0.223 0.000 2.046 376 L HA -0.115 4.227 4.340 0.003 0.000 0.208 376 L C 2.231 179.004 176.870 -0.163 0.000 1.077 376 L CA 2.078 56.788 54.840 -0.218 0.000 0.747 376 L CB -0.611 41.217 42.059 -0.385 0.000 0.896 376 L HN 0.346 nan 8.230 nan 0.000 0.432 377 L N -0.361 120.752 121.223 -0.183 0.000 2.046 377 L HA -0.198 4.144 4.340 0.003 0.000 0.208 377 L C 2.069 178.912 176.870 -0.045 0.000 1.077 377 L CA 1.892 56.678 54.840 -0.090 0.000 0.747 377 L CB -1.103 40.932 42.059 -0.040 0.000 0.896 377 L HN 0.320 nan 8.230 nan 0.000 0.432 378 D N -0.230 120.143 120.400 -0.045 0.000 2.104 378 D HA -0.202 4.440 4.640 0.003 0.000 0.194 378 D C 2.083 178.367 176.300 -0.026 0.000 0.994 378 D CA 1.480 55.463 54.000 -0.028 0.000 0.830 378 D CB -0.058 40.725 40.800 -0.028 0.000 0.959 378 D HN 0.508 nan 8.370 nan 0.000 0.452 379 E N 0.389 120.567 120.200 -0.036 0.000 2.070 379 E HA -0.197 4.155 4.350 0.003 0.000 0.197 379 E C 1.977 178.567 176.600 -0.018 0.000 1.004 379 E CA 0.942 57.326 56.400 -0.027 0.000 0.805 379 E CB 0.071 29.751 29.700 -0.033 0.000 0.744 379 E HN 0.280 nan 8.360 nan 0.000 0.451 380 E N 0.312 120.500 120.200 -0.021 0.000 2.107 380 E HA -0.099 4.253 4.350 0.003 0.000 0.191 380 E C 2.257 178.857 176.600 -0.000 0.000 0.982 380 E CA 0.547 56.942 56.400 -0.007 0.000 0.809 380 E CB -0.054 29.643 29.700 -0.006 0.000 0.756 380 E HN 0.317 nan 8.360 nan 0.000 0.459 381 L N 0.392 121.613 121.223 -0.003 0.000 2.156 381 L HA -0.049 4.293 4.340 0.003 0.000 0.208 381 L C 2.448 179.318 176.870 0.000 0.000 1.095 381 L CA 0.782 55.623 54.840 0.002 0.000 0.770 381 L CB -0.383 41.677 42.059 0.002 0.000 0.914 381 L HN 0.034 nan 8.230 nan 0.000 0.439 382 A N 1.123 123.941 122.820 -0.004 0.000 1.972 382 A HA -0.196 4.126 4.320 0.003 0.000 0.219 382 A C 2.146 179.730 177.584 -0.001 0.000 1.169 382 A CA 1.791 53.826 52.037 -0.003 0.000 0.635 382 A CB -0.290 18.706 19.000 -0.006 0.000 0.810 382 A HN 0.538 nan 8.150 nan 0.000 0.446 383 K N -1.018 119.383 120.400 0.001 0.000 2.358 383 K HA 0.332 4.653 4.320 0.003 0.000 0.197 383 K C 0.048 176.651 176.600 0.006 0.000 1.025 383 K CA -0.478 55.811 56.287 0.003 0.000 1.104 383 K CB -0.233 32.269 32.500 0.004 0.000 0.855 383 K HN 0.235 nan 8.250 nan 0.000 0.531 384 L N 2.443 123.670 121.223 0.007 0.000 2.410 384 L HA 0.118 4.460 4.340 0.003 0.000 0.273 384 L C -0.466 176.409 176.870 0.008 0.000 1.152 384 L CA 0.380 55.226 54.840 0.010 0.000 0.855 384 L CB 1.378 43.444 42.059 0.011 0.000 1.129 384 L HN 0.198 nan 8.230 nan 0.000 0.463 385 S N 4.475 120.181 115.700 0.009 0.000 2.438 385 S HA 0.828 5.300 4.470 0.003 0.000 0.316 385 S C -0.068 174.538 174.600 0.009 0.000 1.084 385 S CA 0.342 58.547 58.200 0.008 0.000 1.107 385 S CB -0.235 62.970 63.200 0.007 0.000 0.981 385 S HN 1.479 nan 8.310 nan 0.000 0.466 386 G N 4.112 112.916 108.800 0.007 0.000 2.422 386 G HA2 -0.069 3.893 3.960 0.003 0.000 0.607 386 G HA3 -0.069 3.893 3.960 0.003 0.000 0.607 386 G C -0.508 174.397 174.900 0.008 0.000 1.270 386 G CA 0.021 45.125 45.100 0.007 0.000 0.992 386 G HN 0.755 nan 8.290 nan 0.000 0.499 387 D N -1.027 119.378 120.400 0.007 0.000 2.402 387 D HA 0.338 4.980 4.640 0.003 0.000 0.216 387 D C 0.559 176.865 176.300 0.009 0.000 1.128 387 D CA 0.558 54.562 54.000 0.007 0.000 0.833 387 D CB 0.421 41.223 40.800 0.003 0.000 0.971 387 D HN 0.524 nan 8.370 nan 0.000 0.503 388 T N 1.026 115.588 114.554 0.013 0.000 2.937 388 T HA 0.328 4.680 4.350 0.003 0.000 0.297 388 T C -0.613 174.102 174.700 0.026 0.000 0.991 388 T CA -0.704 61.407 62.100 0.018 0.000 0.990 388 T CB 1.950 70.829 68.868 0.019 0.000 0.991 388 T HN 0.036 nan 8.240 nan 0.000 0.440 389 L N 5.230 126.472 121.223 0.031 0.000 2.410 389 L HA 0.279 4.621 4.340 0.003 0.000 0.273 389 L C 0.490 177.394 176.870 0.056 0.000 1.152 389 L CA -0.175 54.690 54.840 0.041 0.000 0.855 389 L CB 0.309 42.395 42.059 0.045 0.000 1.129 389 L HN 0.649 nan 8.230 nan 0.000 0.463 390 D N 3.088 123.525 120.400 0.061 0.000 2.382 390 D HA 0.014 4.655 4.640 0.003 0.000 0.240 390 D C 0.933 177.300 176.300 0.112 0.000 1.146 390 D CA 0.222 54.265 54.000 0.072 0.000 0.897 390 D CB 1.106 41.943 40.800 0.062 0.000 1.197 390 D HN 0.690 nan 8.370 nan 0.000 0.432 391 G N 0.809 109.682 108.800 0.122 0.000 2.432 391 G HA2 -0.306 3.656 3.960 0.003 0.000 0.219 391 G HA3 -0.306 3.656 3.960 0.003 0.000 0.219 391 G C 1.246 176.285 174.900 0.231 0.000 1.135 391 G CA 0.650 45.865 45.100 0.191 0.000 0.767 391 G HN 0.737 nan 8.290 nan 0.000 0.550 392 E N -0.053 120.243 120.200 0.160 0.000 2.072 392 E HA -0.119 4.233 4.350 0.003 0.000 0.191 392 E C 2.466 179.212 176.600 0.244 0.000 0.985 392 E CA 1.435 57.947 56.400 0.186 0.000 0.801 392 E CB -0.049 29.719 29.700 0.114 0.000 0.750 392 E HN 0.368 nan 8.360 nan 0.000 0.452 393 T N 0.512 115.175 114.554 0.182 0.000 2.777 393 T HA -0.081 4.271 4.350 0.003 0.000 0.266 393 T C 1.870 176.689 174.700 0.197 0.000 1.040 393 T CA 1.157 63.349 62.100 0.153 0.000 1.141 393 T CB -0.270 68.653 68.868 0.093 0.000 0.868 393 T HN 0.314 nan 8.240 nan 0.000 0.444 394 A N 1.033 124.001 122.820 0.247 0.000 1.908 394 A HA -0.062 4.260 4.320 0.003 0.000 0.218 394 A C 2.008 179.903 177.584 0.518 0.000 1.181 394 A CA 1.398 53.615 52.037 0.300 0.000 0.627 394 A CB -0.952 18.201 19.000 0.255 0.000 0.818 394 A HN 0.490 nan 8.150 nan 0.000 0.445 395 F N 0.296 120.513 119.950 0.445 0.000 2.186 395 F HA -0.058 4.470 4.527 0.002 0.000 0.299 395 F C 2.291 178.297 175.800 0.345 0.000 1.090 395 F CA 1.678 59.916 58.000 0.396 0.000 1.307 395 F CB -0.210 38.846 39.000 0.093 0.000 1.019 395 F HN 0.205 nan 8.300 nan 0.000 0.489 396 R N 0.268 120.909 120.500 0.234 0.000 2.075 396 R HA -0.126 4.216 4.340 0.003 0.000 0.232 396 R C 2.209 178.592 176.300 0.139 0.000 1.126 396 R CA 1.705 57.875 56.100 0.118 0.000 0.963 396 R CB -0.450 29.950 30.300 0.166 0.000 0.858 396 R HN 0.396 nan 8.270 nan 0.000 0.435 397 L N -0.376 120.941 121.223 0.157 0.000 2.083 397 L HA -0.201 4.140 4.340 0.003 0.000 0.209 397 L C 2.329 179.332 176.870 0.221 0.000 1.083 397 L CA 1.344 56.230 54.840 0.076 0.000 0.752 397 L CB -0.580 41.429 42.059 -0.083 0.000 0.899 397 L HN 0.281 nan 8.230 nan 0.000 0.433 398 Y N 0.800 121.187 120.300 0.145 0.000 2.133 398 Y HA -0.300 4.252 4.550 0.003 0.000 0.287 398 Y C 2.311 178.200 175.900 -0.018 0.000 1.134 398 Y CA 2.120 60.316 58.100 0.161 0.000 1.133 398 Y CB -0.217 38.418 38.460 0.292 0.000 0.987 398 Y HN 0.203 nan 8.280 nan 0.000 0.502 399 D N -1.341 118.905 120.400 -0.256 0.000 2.123 399 D HA -0.117 4.525 4.640 0.003 0.000 0.200 399 D C 1.854 177.990 176.300 -0.273 0.000 0.976 399 D CA 1.945 55.697 54.000 -0.413 0.000 0.831 399 D CB -0.022 40.439 40.800 -0.564 0.000 0.974 399 D HN 0.389 nan 8.370 nan 0.000 0.469 400 T N -1.570 112.855 114.554 -0.216 0.000 2.939 400 T HA 0.003 4.355 4.350 0.003 0.000 0.254 400 T C 0.840 175.270 174.700 -0.451 0.000 1.041 400 T CA 0.676 62.556 62.100 -0.368 0.000 1.142 400 T CB -0.139 68.420 68.868 -0.515 0.000 0.874 400 T HN 0.215 nan 8.240 nan 0.000 0.452 401 Y N 0.293 120.547 120.300 -0.078 0.000 2.467 401 Y HA 0.437 4.990 4.550 0.004 0.000 0.250 401 Y C 1.744 177.816 175.900 0.287 0.000 1.155 401 Y CA -0.329 57.773 58.100 0.004 0.000 1.249 401 Y CB 0.344 38.627 38.460 -0.295 0.000 1.146 401 Y HN 0.275 nan 8.280 nan 0.000 0.524 402 G N 0.435 109.403 108.800 0.280 0.000 2.176 402 G HA2 -0.303 3.659 3.960 0.003 0.000 0.252 402 G HA3 -0.303 3.659 3.960 0.003 0.000 0.252 402 G C -0.407 174.772 174.900 0.465 0.000 1.024 402 G CA -0.341 44.912 45.100 0.256 0.000 0.755 402 G HN 0.142 nan 8.290 nan 0.000 0.507 403 F N 1.278 121.368 119.950 0.233 0.000 2.413 403 F HA 0.417 4.945 4.527 0.003 0.000 0.359 403 F C -1.415 174.540 175.800 0.257 0.000 1.122 403 F CA -2.981 55.159 58.000 0.233 0.000 1.160 403 F CB 0.981 40.123 39.000 0.236 0.000 1.146 403 F HN -0.085 nan 8.300 nan 0.000 0.514 404 P HA -0.041 nan 4.420 nan 0.000 0.267 404 P C 1.073 178.456 177.300 0.138 0.000 1.200 404 P CA 0.102 63.384 63.100 0.303 0.000 0.772 404 P CB 1.033 32.760 31.700 0.045 0.000 0.855 405 V N 2.583 122.467 119.914 -0.049 0.000 2.490 405 V HA -0.222 3.900 4.120 0.003 0.000 0.250 405 V C 1.603 177.594 176.094 -0.171 0.000 1.061 405 V CA 2.549 64.635 62.300 -0.356 0.000 1.064 405 V CB -0.990 30.153 31.823 -1.133 0.000 0.670 405 V HN 0.664 nan 8.190 nan 0.000 0.461 406 D N -0.616 119.723 120.400 -0.100 0.000 2.224 406 D HA -0.191 4.450 4.640 0.003 0.000 0.205 406 D C 2.125 178.412 176.300 -0.021 0.000 0.965 406 D CA 1.323 55.291 54.000 -0.054 0.000 0.852 406 D CB -0.276 40.501 40.800 -0.039 0.000 0.947 406 D HN 0.540 nan 8.370 nan 0.000 0.494 407 L N 0.870 122.076 121.223 -0.028 0.000 2.056 407 L HA -0.129 4.213 4.340 0.003 0.000 0.207 407 L C 2.322 179.197 176.870 0.008 0.000 1.078 407 L CA 1.455 56.272 54.840 -0.038 0.000 0.749 407 L CB -0.482 41.497 42.059 -0.132 0.000 0.901 407 L HN -0.067 nan 8.230 nan 0.000 0.433 408 T N 0.103 114.704 114.554 0.077 0.000 2.746 408 T HA -0.170 4.182 4.350 0.003 0.000 0.267 408 T C 1.884 176.619 174.700 0.058 0.000 1.039 408 T CA 1.329 63.510 62.100 0.134 0.000 1.142 408 T CB -0.394 68.573 68.868 0.165 0.000 0.866 408 T HN 0.557 nan 8.240 nan 0.000 0.444 409 A N 1.410 124.239 122.820 0.014 0.000 1.933 409 A HA -0.154 4.168 4.320 0.003 0.000 0.218 409 A C 2.096 179.696 177.584 0.027 0.000 1.175 409 A CA 2.040 54.080 52.037 0.006 0.000 0.628 409 A CB -0.757 18.230 19.000 -0.022 0.000 0.814 409 A HN 0.498 nan 8.150 nan 0.000 0.444 410 D N -0.438 119.986 120.400 0.039 0.000 2.097 410 D HA -0.117 4.525 4.640 0.003 0.000 0.195 410 D C 1.827 178.154 176.300 0.044 0.000 0.989 410 D CA 1.576 55.619 54.000 0.073 0.000 0.827 410 D CB -0.095 40.762 40.800 0.095 0.000 0.966 410 D HN 0.156 nan 8.370 nan 0.000 0.456 411 V N -0.114 119.807 119.914 0.011 0.000 2.343 411 V HA -0.273 3.849 4.120 0.003 0.000 0.247 411 V C 2.778 178.883 176.094 0.018 0.000 1.051 411 V CA 1.561 63.858 62.300 -0.006 0.000 1.036 411 V CB -0.580 31.252 31.823 0.015 0.000 0.654 411 V HN 0.424 nan 8.190 nan 0.000 0.451 412 C N -0.549 118.769 119.300 0.030 0.000 2.440 412 C HA -0.105 4.357 4.460 0.003 0.000 0.278 412 C C 2.922 177.929 174.990 0.028 0.000 1.295 412 C CA 1.083 60.118 59.018 0.027 0.000 1.738 412 C CB -1.119 26.637 27.740 0.027 0.000 1.987 412 C HN 0.533 nan 8.230 nan 0.000 0.492 413 R N 1.136 121.659 120.500 0.038 0.000 2.105 413 R HA -0.148 4.193 4.340 0.003 0.000 0.239 413 R C 1.922 178.266 176.300 0.074 0.000 1.135 413 R CA 1.457 57.586 56.100 0.047 0.000 0.967 413 R CB -0.226 30.109 30.300 0.057 0.000 0.861 413 R HN 0.615 nan 8.270 nan 0.000 0.442 414 E N -0.411 119.835 120.200 0.077 0.000 2.338 414 E HA -0.149 4.203 4.350 0.003 0.000 0.197 414 E C 0.989 177.609 176.600 0.033 0.000 1.007 414 E CA 0.755 57.193 56.400 0.063 0.000 0.849 414 E CB 0.185 29.903 29.700 0.029 0.000 0.774 414 E HN 0.311 nan 8.360 nan 0.000 0.506 415 R N 0.438 120.953 120.500 0.024 0.000 2.577 415 R HA 0.166 4.508 4.340 0.003 0.000 0.344 415 R C -0.220 176.088 176.300 0.012 0.000 1.037 415 R CA -0.167 55.941 56.100 0.013 0.000 1.102 415 R CB 0.359 30.664 30.300 0.007 0.000 1.313 415 R HN 0.008 nan 8.270 nan 0.000 0.561 416 N N 1.065 119.775 118.700 0.017 0.000 2.735 416 N HA -0.171 4.571 4.740 0.003 0.000 0.248 416 N C -0.829 174.684 175.510 0.006 0.000 1.083 416 N CA 0.995 54.050 53.050 0.010 0.000 0.703 416 N CB -0.615 37.875 38.487 0.005 0.000 1.005 416 N HN 0.231 nan 8.380 nan 0.000 0.550 417 I N 0.676 121.252 120.570 0.009 0.000 2.474 417 I HA 0.275 4.447 4.170 0.003 0.000 0.294 417 I C 0.863 176.985 176.117 0.008 0.000 1.005 417 I CA -0.472 60.834 61.300 0.009 0.000 1.113 417 I CB 1.881 39.889 38.000 0.013 0.000 1.289 417 I HN -0.123 nan 8.210 nan 0.000 0.436 418 K N 3.720 124.123 120.400 0.006 0.000 2.148 418 K HA 0.723 5.045 4.320 0.003 0.000 0.239 418 K C -0.850 175.757 176.600 0.011 0.000 1.018 418 K CA -0.774 55.515 56.287 0.004 0.000 0.923 418 K CB 1.603 34.103 32.500 0.001 0.000 1.117 418 K HN 0.239 nan 8.250 nan 0.000 0.477 419 V N 1.152 121.071 119.914 0.009 0.000 2.495 419 V HA 0.044 4.166 4.120 0.003 0.000 0.298 419 V C -0.752 175.359 176.094 0.027 0.000 1.031 419 V CA -0.784 61.527 62.300 0.017 0.000 0.871 419 V CB 1.668 33.489 31.823 -0.003 0.000 0.988 419 V HN 0.711 nan 8.190 nan 0.000 0.432 420 D N 3.614 124.043 120.400 0.050 0.000 2.398 420 D HA 0.064 4.706 4.640 0.003 0.000 0.250 420 D C 1.229 177.585 176.300 0.094 0.000 1.287 420 D CA 0.118 54.154 54.000 0.061 0.000 0.992 420 D CB 0.749 41.587 40.800 0.064 0.000 1.071 420 D HN 0.499 nan 8.370 nan 0.000 0.514 421 E N 2.463 122.707 120.200 0.073 0.000 2.110 421 E HA -0.169 4.183 4.350 0.003 0.000 0.193 421 E C 1.800 178.486 176.600 0.144 0.000 0.988 421 E CA 0.965 57.428 56.400 0.105 0.000 0.804 421 E CB -0.189 29.544 29.700 0.055 0.000 0.745 421 E HN 0.612 nan 8.360 nan 0.000 0.458 422 A N 1.243 124.114 122.820 0.085 0.000 1.902 422 A HA -0.091 4.231 4.320 0.003 0.000 0.217 422 A C 2.498 180.114 177.584 0.053 0.000 1.181 422 A CA 1.934 54.006 52.037 0.058 0.000 0.623 422 A CB -1.052 17.967 19.000 0.032 0.000 0.818 422 A HN 0.339 nan 8.150 nan 0.000 0.443 423 G N -1.387 107.455 108.800 0.070 0.000 2.402 423 G HA2 -0.200 3.762 3.960 0.003 0.000 0.216 423 G HA3 -0.200 3.762 3.960 0.003 0.000 0.216 423 G C 1.477 176.414 174.900 0.062 0.000 1.162 423 G CA 1.052 46.184 45.100 0.052 0.000 0.777 423 G HN 0.519 nan 8.290 nan 0.000 0.539 424 F N 1.606 121.557 119.950 0.002 0.000 2.095 424 F HA -0.076 4.453 4.527 0.004 0.000 0.298 424 F C 2.673 178.445 175.800 -0.047 0.000 1.104 424 F CA 1.915 59.927 58.000 0.020 0.000 1.232 424 F CB 0.147 39.177 39.000 0.050 0.000 0.987 424 F HN 0.067 nan 8.300 nan 0.000 0.475 425 E N 0.680 120.875 120.200 -0.009 0.000 2.106 425 E HA -0.169 4.183 4.350 0.003 0.000 0.192 425 E C 2.388 178.863 176.600 -0.208 0.000 0.984 425 E CA 1.073 57.398 56.400 -0.126 0.000 0.806 425 E CB -0.802 28.910 29.700 0.019 0.000 0.750 425 E HN 0.534 nan 8.360 nan 0.000 0.458 426 A N 1.471 124.195 122.820 -0.161 0.000 1.898 426 A HA -0.058 4.264 4.320 0.003 0.000 0.216 426 A C 2.422 179.829 177.584 -0.294 0.000 1.181 426 A CA 1.921 53.854 52.037 -0.173 0.000 0.620 426 A CB -0.513 18.422 19.000 -0.109 0.000 0.819 426 A HN 0.263 nan 8.150 nan 0.000 0.442 427 A N -0.753 121.810 122.820 -0.428 0.000 1.902 427 A HA -0.106 4.216 4.320 0.003 0.000 0.217 427 A C 2.200 179.145 177.584 -1.065 0.000 1.181 427 A CA 1.867 53.446 52.037 -0.764 0.000 0.623 427 A CB -0.479 17.983 19.000 -0.896 0.000 0.818 427 A HN 0.437 nan 8.150 nan 0.000 0.443 428 M N -0.825 118.244 119.600 -0.885 0.000 2.086 428 M HA -0.145 4.337 4.480 0.003 0.000 0.261 428 M C 2.084 178.202 176.300 -0.305 0.000 1.067 428 M CA 2.024 57.002 55.300 -0.538 0.000 1.116 428 M CB -1.172 31.155 32.600 -0.455 0.000 1.348 428 M HN 0.588 nan 8.290 nan 0.000 0.407 429 E N 0.863 120.903 120.200 -0.266 0.000 2.072 429 E HA -0.169 4.183 4.350 0.003 0.000 0.191 429 E C 1.714 178.222 176.600 -0.153 0.000 0.985 429 E CA 1.628 57.931 56.400 -0.163 0.000 0.801 429 E CB -0.102 29.521 29.700 -0.129 0.000 0.750 429 E HN 0.514 nan 8.360 nan 0.000 0.452 430 E N 0.073 120.150 120.200 -0.205 0.000 2.085 430 E HA -0.260 4.092 4.350 0.003 0.000 0.194 430 E C 2.107 178.628 176.600 -0.131 0.000 0.994 430 E CA 1.403 57.703 56.400 -0.165 0.000 0.801 430 E CB -0.141 29.439 29.700 -0.200 0.000 0.743 430 E HN 0.379 nan 8.360 nan 0.000 0.453 431 Q N 0.545 120.246 119.800 -0.165 0.000 2.119 431 Q HA -0.138 4.204 4.340 0.003 0.000 0.201 431 Q C 2.121 178.112 176.000 -0.014 0.000 0.972 431 Q CA 0.975 56.751 55.803 -0.046 0.000 0.847 431 Q CB 0.140 28.917 28.738 0.066 0.000 0.903 431 Q HN 0.139 nan 8.270 nan 0.000 0.433 432 R N -0.276 120.203 120.500 -0.036 0.000 2.096 432 R HA -0.083 4.259 4.340 0.003 0.000 0.235 432 R C 2.325 178.611 176.300 -0.023 0.000 1.127 432 R CA 1.019 57.107 56.100 -0.021 0.000 0.968 432 R CB -0.058 30.223 30.300 -0.032 0.000 0.861 432 R HN 0.149 nan 8.270 nan 0.000 0.440 433 R N 0.630 121.108 120.500 -0.037 0.000 2.081 433 R HA -0.081 4.261 4.340 0.003 0.000 0.235 433 R C 2.163 178.453 176.300 -0.017 0.000 1.131 433 R CA 1.307 57.389 56.100 -0.029 0.000 0.960 433 R CB -0.460 29.817 30.300 -0.038 0.000 0.856 433 R HN 0.303 nan 8.270 nan 0.000 0.436 434 R N 0.194 120.684 120.500 -0.016 0.000 2.081 434 R HA -0.042 4.300 4.340 0.003 0.000 0.235 434 R C 2.278 178.580 176.300 0.003 0.000 1.131 434 R CA 1.400 57.497 56.100 -0.004 0.000 0.960 434 R CB -0.417 29.884 30.300 0.002 0.000 0.856 434 R HN 0.190 nan 8.270 nan 0.000 0.436 435 A N 1.442 124.265 122.820 0.005 0.000 1.902 435 A HA -0.178 4.144 4.320 0.003 0.000 0.217 435 A C 2.130 179.715 177.584 0.001 0.000 1.181 435 A CA 1.239 53.280 52.037 0.007 0.000 0.623 435 A CB -0.364 18.641 19.000 0.009 0.000 0.818 435 A HN 0.227 nan 8.150 nan 0.000 0.443 436 R N -0.699 119.799 120.500 -0.003 0.000 2.081 436 R HA -0.145 4.197 4.340 0.003 0.000 0.235 436 R C 2.334 178.637 176.300 0.006 0.000 1.131 436 R CA 1.454 57.552 56.100 -0.003 0.000 0.960 436 R CB -0.362 29.934 30.300 -0.008 0.000 0.856 436 R HN 0.793 nan 8.270 nan 0.000 0.436 437 E N 0.728 120.931 120.200 0.006 0.000 2.058 437 E HA -0.207 4.145 4.350 0.003 0.000 0.194 437 E C 1.892 178.501 176.600 0.014 0.000 0.997 437 E CA 1.352 57.758 56.400 0.011 0.000 0.801 437 E CB -0.018 29.685 29.700 0.005 0.000 0.746 437 E HN 0.371 nan 8.360 nan 0.000 0.450 438 A N 0.220 123.047 122.820 0.012 0.000 1.929 438 A HA -0.096 4.226 4.320 0.003 0.000 0.216 438 A C 2.280 179.874 177.584 0.016 0.000 1.176 438 A CA 1.553 53.598 52.037 0.013 0.000 0.628 438 A CB -0.525 18.482 19.000 0.011 0.000 0.816 438 A HN 0.308 nan 8.150 nan 0.000 0.444 439 S N -1.880 113.828 115.700 0.014 0.000 2.406 439 S HA 0.322 4.794 4.470 0.003 0.000 0.228 439 S C 1.348 175.966 174.600 0.029 0.000 1.020 439 S CA 1.715 59.923 58.200 0.014 0.000 0.965 439 S CB -0.591 62.609 63.200 -0.000 0.000 0.798 439 S HN 1.831 nan 8.310 nan 0.000 0.488 440 G N 0.616 109.439 108.800 0.038 0.000 2.498 440 G HA2 -0.270 3.692 3.960 0.003 0.000 0.245 440 G HA3 -0.270 3.692 3.960 0.003 0.000 0.245 440 G C 0.040 175.006 174.900 0.109 0.000 1.204 440 G CA -0.206 44.941 45.100 0.077 0.000 0.933 440 G HN 0.639 nan 8.290 nan 0.000 0.574 441 F N 0.000 119.949 119.950 -0.002 0.000 2.286 441 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 441 F CA 0.000 57.999 58.000 -0.002 0.000 1.383 441 F CB 0.000 38.999 39.000 -0.002 0.000 1.145 441 F HN 0.000 nan 8.300 nan 0.000 0.574