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 3hpz_1_A DATA FIRST_RESID 18 DATA SEQUENCE TIVKPAGPPR VGQPSWNPQR ASSMPVNRYR PFAEEVEPIR LRNRTWPDRV DATA SEQUENCE IDRAPLWCAV DLRDGNQALI DPMSPARKRR MFDLLVRMGY KEIEVGFPSA DATA SEQUENCE SQTDFDFVRE IIEQGAIPDD VTIQVLTQCR PELIERTFQA CSGAPRAIVH DATA SEQUENCE FYNSTSILQR RVVFRANRAE VQAIATDGAR KCVEQAAKYP GTQWRFEYSP DATA SEQUENCE ESYTGTELEY AKQVCDAVGE VIAPTPERPI IFNLPATVEM TTPNVYADSI DATA SEQUENCE EWMSRNLANR ESVILSLHPH NDRGTAVAAA ELGFAAGADR IEGCLFGNGE DATA SEQUENCE RTGNVCLVTL GLNLFSRGVD PQIDFSNIDE IRRTVEYCNQ LPVHERHPYG DATA SEQUENCE GDLVYTAFSG SHQDAINKGL DAMKLDADAA DCDVDDMLWQ VPYLPIDPRD DATA SEQUENCE VGRTYEAVIX XXXXXXXGGV AYIMKTDHGL SLPRRLQIEF SQVIQKXXXX DATA SEQUENCE XXXXXXEVSP KEMWDAFAEE YLAPVRPLER IRQHVDAADD DGGTTSITAT DATA SEQUENCE VKINGVETEI SGSGNGPLAA FVHALADVGF DVAVLDYYEH AMSAGDDAQA DATA SEQUENCE AAYVEASVTI XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXSKT DATA SEQUENCE VWGVGIAPSI TTASLRAVVS AVNRAA 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 18 T HA 0.000 nan 4.350 nan 0.000 0.228 18 T C 0.000 174.688 174.700 -0.020 0.000 1.109 18 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 18 T CB 0.000 68.848 68.868 -0.034 0.000 0.612 19 I N 2.389 122.948 120.570 -0.019 0.000 2.325 19 I HA 0.477 4.644 4.170 -0.005 0.000 0.291 19 I C -0.233 175.875 176.117 -0.015 0.000 1.019 19 I CA -0.565 60.726 61.300 -0.015 0.000 1.302 19 I CB 1.398 39.391 38.000 -0.012 0.000 1.401 19 I HN 0.220 nan 8.210 nan 0.000 0.485 20 V N 7.171 127.078 119.914 -0.012 0.000 2.370 20 V HA 0.182 4.299 4.120 -0.005 0.000 0.283 20 V C 0.340 176.429 176.094 -0.009 0.000 1.023 20 V CA -0.975 61.318 62.300 -0.011 0.000 0.857 20 V CB 1.501 33.318 31.823 -0.010 0.000 0.985 20 V HN 0.638 nan 8.190 nan 0.000 0.443 21 K N 6.597 126.991 120.400 -0.009 0.000 2.473 21 K HA 0.028 4.345 4.320 -0.005 0.000 0.277 21 K C -2.239 174.358 176.600 -0.006 0.000 1.052 21 K CA -0.706 55.577 56.287 -0.007 0.000 1.114 21 K CB 0.278 32.774 32.500 -0.006 0.000 0.869 21 K HN 0.385 nan 8.250 nan 0.000 0.481 22 P HA -0.075 nan 4.420 nan 0.000 0.262 22 P C -0.903 176.394 177.300 -0.005 0.000 1.182 22 P CA 0.309 63.406 63.100 -0.004 0.000 0.761 22 P CB 1.119 32.817 31.700 -0.004 0.000 0.795 23 A N 2.899 125.716 122.820 -0.005 0.000 2.653 23 A HA 0.459 4.776 4.320 -0.005 0.000 0.248 23 A C 0.933 178.513 177.584 -0.006 0.000 1.211 23 A CA 0.301 52.334 52.037 -0.006 0.000 0.991 23 A CB -0.067 18.930 19.000 -0.006 0.000 1.252 23 A HN 0.583 nan 8.150 nan 0.000 0.593 24 G N 0.524 109.320 108.800 -0.006 0.000 2.562 24 G HA2 0.503 4.461 3.960 -0.005 0.000 0.275 24 G HA3 0.503 4.461 3.960 -0.005 0.000 0.275 24 G C -2.951 171.943 174.900 -0.010 0.000 1.196 24 G CA -1.488 43.607 45.100 -0.007 0.000 0.908 24 G HN 0.068 nan 8.290 nan 0.000 0.524 25 P HA 0.158 nan 4.420 nan 0.000 0.264 25 P C -2.132 175.156 177.300 -0.020 0.000 1.193 25 P CA -0.538 62.553 63.100 -0.016 0.000 0.763 25 P CB 0.294 31.985 31.700 -0.015 0.000 0.810 26 P HA 0.062 nan 4.420 nan 0.000 0.269 26 P C 0.288 177.566 177.300 -0.038 0.000 1.211 26 P CA 0.189 63.267 63.100 -0.037 0.000 0.781 26 P CB 0.279 31.949 31.700 -0.050 0.000 0.877 27 R N 1.004 121.479 120.500 -0.042 0.000 2.679 27 R HA 0.424 4.761 4.340 -0.005 0.000 0.268 27 R C 0.607 176.879 176.300 -0.048 0.000 1.044 27 R CA 0.239 56.315 56.100 -0.039 0.000 1.105 27 R CB -1.387 28.890 30.300 -0.039 0.000 0.989 27 R HN 0.601 nan 8.270 nan 0.000 0.447 28 V N 0.888 120.780 119.914 -0.037 0.000 2.673 28 V HA 0.436 4.553 4.120 -0.005 0.000 0.303 28 V C 1.925 177.989 176.094 -0.049 0.000 1.046 28 V CA 1.230 63.507 62.300 -0.039 0.000 1.126 28 V CB 0.179 31.986 31.823 -0.027 0.000 0.934 28 V HN 2.219 nan 8.190 nan 0.000 0.487 29 G N 2.422 111.186 108.800 -0.059 0.000 2.168 29 G HA2 -0.271 3.686 3.960 -0.005 0.000 0.263 29 G HA3 -0.271 3.686 3.960 -0.005 0.000 0.263 29 G C 0.468 175.300 174.900 -0.113 0.000 0.977 29 G CA 0.544 45.600 45.100 -0.072 0.000 0.659 29 G HN 1.623 nan 8.290 nan 0.000 0.533 30 Q N 0.984 120.708 119.800 -0.128 0.000 2.300 30 Q HA 0.384 4.721 4.340 -0.005 0.000 0.280 30 Q C -1.754 174.067 176.000 -0.298 0.000 1.033 30 Q CA -1.208 54.481 55.803 -0.190 0.000 0.903 30 Q CB 0.456 29.105 28.738 -0.149 0.000 1.195 30 Q HN 0.270 nan 8.270 nan 0.000 0.386 31 P HA -0.087 nan 4.420 nan 0.000 0.266 31 P C 0.246 177.171 177.300 -0.626 0.000 1.193 31 P CA 0.186 62.800 63.100 -0.811 0.000 0.770 31 P CB 0.767 31.344 31.700 -1.871 0.000 0.836 32 S N 2.175 117.609 115.700 -0.445 0.000 2.402 32 S HA -0.178 4.289 4.470 -0.005 0.000 0.233 32 S C 1.446 175.974 174.600 -0.120 0.000 1.030 32 S CA 0.973 59.050 58.200 -0.205 0.000 1.003 32 S CB -1.063 62.095 63.200 -0.070 0.000 0.813 32 S HN 0.742 nan 8.310 nan 0.000 0.477 33 W N 1.063 122.364 121.300 0.003 0.000 3.139 33 W HA 0.413 5.072 4.660 -0.001 0.000 0.260 33 W C 0.289 176.809 176.519 0.002 0.000 1.312 33 W CA -0.451 56.896 57.345 0.002 0.000 1.606 33 W CB -0.645 28.817 29.460 0.003 0.000 1.118 33 W HN 0.215 nan 8.180 nan 0.000 0.675 34 N N 3.321 121.986 118.700 -0.058 0.000 2.589 34 N HA 0.168 4.905 4.740 -0.005 0.000 0.232 34 N C -1.850 173.635 175.510 -0.042 0.000 1.015 34 N CA -2.253 50.790 53.050 -0.011 0.000 0.931 34 N CB 1.215 39.607 38.487 -0.159 0.000 1.150 34 N HN -0.172 nan 8.380 nan 0.000 0.512 35 P HA 0.031 nan 4.420 nan 0.000 0.249 35 P C -0.225 177.074 177.300 -0.002 0.000 1.229 35 P CA 0.183 63.284 63.100 0.002 0.000 0.788 35 P CB 0.290 32.004 31.700 0.023 0.000 1.072 36 Q N 0.967 120.767 119.800 0.001 0.000 2.304 36 Q HA 0.022 4.360 4.340 -0.005 0.000 0.301 36 Q C 0.368 176.361 176.000 -0.012 0.000 1.063 36 Q CA 0.496 56.298 55.803 -0.001 0.000 0.947 36 Q CB 0.450 29.192 28.738 0.005 0.000 1.201 36 Q HN 0.103 nan 8.270 nan 0.000 0.389 37 R N 0.958 121.453 120.500 -0.008 0.000 2.643 37 R HA 0.557 4.894 4.340 -0.005 0.000 0.272 37 R C -0.539 175.756 176.300 -0.009 0.000 0.995 37 R CA -0.746 55.348 56.100 -0.010 0.000 1.032 37 R CB 0.894 31.189 30.300 -0.008 0.000 1.126 37 R HN 0.683 nan 8.270 nan 0.000 0.505 38 A N 1.344 124.159 122.820 -0.009 0.000 2.462 38 A HA 0.245 4.562 4.320 -0.005 0.000 0.243 38 A C 0.635 178.217 177.584 -0.003 0.000 1.076 38 A CA -0.057 51.977 52.037 -0.006 0.000 0.773 38 A CB 0.066 19.062 19.000 -0.006 0.000 1.010 38 A HN 0.800 nan 8.150 nan 0.000 0.493 39 S N 0.789 116.489 115.700 -0.001 0.000 2.707 39 S HA 0.494 4.961 4.470 -0.005 0.000 0.276 39 S C 0.611 175.213 174.600 0.003 0.000 1.179 39 S CA 0.072 58.271 58.200 -0.000 0.000 0.992 39 S CB 1.209 64.408 63.200 -0.002 0.000 1.030 39 S HN 1.345 nan 8.310 nan 0.000 0.554 40 S N -0.064 115.638 115.700 0.004 0.000 2.583 40 S HA 0.336 4.804 4.470 -0.005 0.000 0.239 40 S C 0.341 174.950 174.600 0.016 0.000 0.966 40 S CA -0.628 57.577 58.200 0.008 0.000 0.973 40 S CB -0.712 62.491 63.200 0.005 0.000 0.794 40 S HN 0.654 nan 8.310 nan 0.000 0.463 41 M N 3.419 123.029 119.600 0.017 0.000 2.238 41 M HA 0.229 4.707 4.480 -0.005 0.000 0.347 41 M C -2.168 174.164 176.300 0.053 0.000 1.173 41 M CA -1.591 53.726 55.300 0.028 0.000 1.147 41 M CB 0.177 32.783 32.600 0.010 0.000 1.547 41 M HN -0.037 nan 8.290 nan 0.000 0.455 42 P HA 0.052 nan 4.420 nan 0.000 0.237 42 P C 0.879 178.301 177.300 0.202 0.000 1.788 42 P CA -0.101 63.066 63.100 0.113 0.000 1.061 42 P CB -0.658 31.107 31.700 0.109 0.000 1.967 43 V N 0.106 120.110 119.914 0.149 0.000 2.660 43 V HA -0.261 3.856 4.120 -0.005 0.000 0.257 43 V C 1.623 177.837 176.094 0.201 0.000 1.088 43 V CA 2.069 64.482 62.300 0.187 0.000 1.106 43 V CB -1.580 30.299 31.823 0.092 0.000 0.686 43 V HN 0.297 nan 8.190 nan 0.000 0.481 44 N N 1.017 119.780 118.700 0.104 0.000 2.461 44 N HA -0.051 4.686 4.740 -0.005 0.000 0.188 44 N C 1.574 177.058 175.510 -0.043 0.000 1.134 44 N CA 0.641 53.712 53.050 0.036 0.000 0.878 44 N CB -0.699 37.795 38.487 0.012 0.000 0.972 44 N HN 0.580 nan 8.380 nan 0.000 0.456 45 R N -0.852 119.580 120.500 -0.113 0.000 2.313 45 R HA 0.104 4.442 4.340 -0.005 0.000 0.199 45 R C -0.357 175.464 176.300 -0.798 0.000 0.958 45 R CA 0.430 56.253 56.100 -0.460 0.000 1.047 45 R CB -0.089 29.854 30.300 -0.596 0.000 0.955 45 R HN 0.277 nan 8.270 nan 0.000 0.481 46 Y N -0.072 120.230 120.300 0.003 0.000 2.442 46 Y HA 0.447 4.993 4.550 -0.007 0.000 0.344 46 Y C 0.069 175.975 175.900 0.009 0.000 0.976 46 Y CA -1.133 56.972 58.100 0.009 0.000 1.040 46 Y CB 1.639 40.108 38.460 0.014 0.000 1.228 46 Y HN -0.292 nan 8.280 nan 0.000 0.451 47 R N 2.075 122.653 120.500 0.131 0.000 2.803 47 R HA 0.574 4.911 4.340 -0.005 0.000 0.276 47 R C -2.684 173.670 176.300 0.091 0.000 0.978 47 R CA -2.064 54.079 56.100 0.073 0.000 0.939 47 R CB 1.238 31.545 30.300 0.013 0.000 1.179 47 R HN 0.395 nan 8.270 nan 0.000 0.472 48 P HA -0.086 nan 4.420 nan 0.000 0.269 48 P C 0.104 177.472 177.300 0.113 0.000 1.211 48 P CA 0.019 63.178 63.100 0.100 0.000 0.781 48 P CB 0.365 32.110 31.700 0.075 0.000 0.877 49 F N 2.186 122.151 119.950 0.025 0.000 2.126 49 F HA -0.225 4.300 4.527 -0.004 0.000 0.299 49 F C 2.127 177.928 175.800 0.002 0.000 1.096 49 F CA 2.053 60.063 58.000 0.016 0.000 1.255 49 F CB -0.679 38.332 39.000 0.018 0.000 0.997 49 F HN 0.341 nan 8.300 nan 0.000 0.479 50 A N -0.410 122.438 122.820 0.046 0.000 1.978 50 A HA -0.262 4.055 4.320 -0.005 0.000 0.220 50 A C 2.257 179.758 177.584 -0.137 0.000 1.170 50 A CA 2.026 54.034 52.037 -0.049 0.000 0.636 50 A CB -0.887 18.138 19.000 0.042 0.000 0.810 50 A HN 0.608 nan 8.150 nan 0.000 0.448 51 E N -0.969 119.170 120.200 -0.101 0.000 2.086 51 E HA -0.156 4.191 4.350 -0.005 0.000 0.190 51 E C 2.008 178.523 176.600 -0.142 0.000 0.975 51 E CA 0.940 57.284 56.400 -0.094 0.000 0.813 51 E CB -0.055 29.619 29.700 -0.044 0.000 0.768 51 E HN 0.537 nan 8.360 nan 0.000 0.457 52 E N -0.125 119.972 120.200 -0.172 0.000 2.110 52 E HA -0.131 4.216 4.350 -0.005 0.000 0.193 52 E C 1.532 177.952 176.600 -0.301 0.000 0.988 52 E CA 1.459 57.744 56.400 -0.192 0.000 0.804 52 E CB 0.269 29.883 29.700 -0.144 0.000 0.745 52 E HN 0.152 nan 8.360 nan 0.000 0.458 53 V N -1.016 118.578 119.914 -0.534 0.000 3.671 53 V HA 0.272 4.389 4.120 -0.005 0.000 0.202 53 V C -0.029 175.831 176.094 -0.390 0.000 1.188 53 V CA 0.500 62.475 62.300 -0.542 0.000 1.325 53 V CB 0.189 31.472 31.823 -0.899 0.000 1.470 53 V HN 0.396 nan 8.190 nan 0.000 0.520 54 E N 0.571 120.516 120.200 -0.424 0.000 2.392 54 E HA 0.349 4.696 4.350 -0.005 0.000 0.281 54 E C -3.233 173.294 176.600 -0.122 0.000 1.088 54 E CA -1.548 54.726 56.400 -0.210 0.000 0.850 54 E CB 1.719 31.317 29.700 -0.170 0.000 1.267 54 E HN 0.228 nan 8.360 nan 0.000 0.438 55 P HA 0.193 nan 4.420 nan 0.000 0.274 55 P C 0.098 177.405 177.300 0.011 0.000 1.246 55 P CA -0.306 62.802 63.100 0.014 0.000 0.795 55 P CB 0.596 32.298 31.700 0.004 0.000 1.006 56 I N 0.785 121.387 120.570 0.053 0.000 2.742 56 I HA -0.081 4.086 4.170 -0.005 0.000 0.287 56 I C 2.124 178.233 176.117 -0.015 0.000 1.186 56 I CA 0.428 61.750 61.300 0.037 0.000 1.417 56 I CB 0.158 38.209 38.000 0.085 0.000 1.377 56 I HN 0.455 nan 8.210 nan 0.000 0.556 57 R N 5.779 126.210 120.500 -0.115 0.000 2.297 57 R HA 0.163 4.501 4.340 -0.005 0.000 0.197 57 R C 0.344 176.698 176.300 0.091 0.000 0.943 57 R CA 0.224 56.243 56.100 -0.136 0.000 1.038 57 R CB -0.464 29.521 30.300 -0.526 0.000 0.957 57 R HN 0.533 nan 8.270 nan 0.000 0.484 58 L N 1.888 123.206 121.223 0.158 0.000 2.260 58 L HA 0.578 4.915 4.340 -0.005 0.000 0.289 58 L C 0.450 177.430 176.870 0.183 0.000 1.057 58 L CA -0.668 54.346 54.840 0.290 0.000 0.811 58 L CB 1.096 43.340 42.059 0.309 0.000 1.184 58 L HN 0.452 nan 8.230 nan 0.000 0.429 59 R N 3.054 123.658 120.500 0.172 0.000 2.349 59 R HA 0.582 4.919 4.340 -0.005 0.000 0.299 59 R C 0.782 177.125 176.300 0.071 0.000 1.027 59 R CA 0.154 56.314 56.100 0.100 0.000 0.958 59 R CB -0.836 29.517 30.300 0.088 0.000 1.047 59 R HN 1.560 nan 8.270 nan 0.000 0.468 60 N N 1.281 120.000 118.700 0.031 0.000 2.727 60 N HA -0.180 4.557 4.740 -0.005 0.000 0.251 60 N C 0.397 175.900 175.510 -0.011 0.000 1.040 60 N CA 1.335 54.384 53.050 -0.001 0.000 0.712 60 N CB -1.737 36.750 38.487 0.001 0.000 0.912 60 N HN 1.301 nan 8.380 nan 0.000 0.545 61 R N -0.766 119.715 120.500 -0.032 0.000 2.638 61 R HA 0.329 4.666 4.340 -0.005 0.000 0.268 61 R C 1.225 177.407 176.300 -0.197 0.000 1.006 61 R CA 0.813 56.852 56.100 -0.102 0.000 1.088 61 R CB 0.213 30.372 30.300 -0.235 0.000 0.950 61 R HN 0.834 nan 8.270 nan 0.000 0.419 62 T N -1.281 113.178 114.554 -0.158 0.000 2.975 62 T HA 0.008 4.355 4.350 -0.005 0.000 0.261 62 T C 1.418 176.046 174.700 -0.120 0.000 0.984 62 T CA -0.374 61.645 62.100 -0.135 0.000 0.911 62 T CB -0.149 68.692 68.868 -0.045 0.000 1.127 62 T HN 0.839 nan 8.240 nan 0.000 0.514 63 W N 2.440 123.736 121.300 -0.007 0.000 2.350 63 W HA 0.082 4.738 4.660 -0.007 0.000 0.289 63 W C -1.857 174.661 176.519 -0.001 0.000 1.215 63 W CA 0.827 58.165 57.345 -0.011 0.000 1.236 63 W CB -2.131 27.329 29.460 -0.000 0.000 1.130 63 W HN 0.296 nan 8.180 nan 0.000 0.541 64 P HA -0.052 nan 4.420 nan 0.000 0.230 64 P C 0.764 177.960 177.300 -0.173 0.000 1.158 64 P CA 1.598 64.392 63.100 -0.510 0.000 0.769 64 P CB -0.195 31.020 31.700 -0.808 0.000 0.807 65 D N -1.666 118.648 120.400 -0.143 0.000 2.369 65 D HA 0.056 4.693 4.640 -0.005 0.000 0.211 65 D C 1.011 177.296 176.300 -0.025 0.000 1.077 65 D CA 0.247 54.203 54.000 -0.073 0.000 0.842 65 D CB 0.288 41.039 40.800 -0.083 0.000 0.947 65 D HN 0.105 nan 8.370 nan 0.000 0.509 66 R N 1.029 121.535 120.500 0.009 0.000 2.294 66 R HA 0.539 4.876 4.340 -0.005 0.000 0.319 66 R C -0.362 175.957 176.300 0.033 0.000 0.984 66 R CA -0.493 55.615 56.100 0.012 0.000 0.861 66 R CB 0.676 30.981 30.300 0.008 0.000 1.104 66 R HN -0.063 nan 8.270 nan 0.000 0.451 67 V N 4.456 124.380 119.914 0.016 0.000 2.439 67 V HA 0.382 4.500 4.120 -0.005 0.000 0.282 67 V C 0.655 176.758 176.094 0.016 0.000 1.039 67 V CA -0.814 61.505 62.300 0.032 0.000 0.913 67 V CB 1.439 33.280 31.823 0.030 0.000 0.983 67 V HN 0.804 nan 8.190 nan 0.000 0.460 68 I N 5.038 125.634 120.570 0.043 0.000 2.683 68 I HA 0.073 4.240 4.170 -0.005 0.000 0.286 68 I C 0.600 176.757 176.117 0.066 0.000 1.175 68 I CA 0.432 61.760 61.300 0.048 0.000 1.429 68 I CB 0.494 38.612 38.000 0.197 0.000 1.371 68 I HN 0.865 nan 8.210 nan 0.000 0.569 69 D N 5.312 125.739 120.400 0.045 0.000 2.556 69 D HA 0.103 4.740 4.640 -0.005 0.000 0.237 69 D C 0.080 176.427 176.300 0.077 0.000 1.296 69 D CA -0.480 53.553 54.000 0.055 0.000 0.807 69 D CB 0.414 41.228 40.800 0.023 0.000 1.084 69 D HN 0.551 nan 8.370 nan 0.000 0.510 70 R N -0.681 119.898 120.500 0.131 0.000 2.707 70 R HA 0.773 5.110 4.340 -0.005 0.000 0.272 70 R C -1.106 175.313 176.300 0.199 0.000 1.011 70 R CA -1.067 55.115 56.100 0.136 0.000 0.893 70 R CB 0.980 31.337 30.300 0.095 0.000 1.233 70 R HN -0.087 nan 8.270 nan 0.000 0.464 71 A N 2.966 125.836 122.820 0.082 0.000 2.498 71 A HA 0.383 4.701 4.320 -0.005 0.000 0.239 71 A C -1.922 175.460 177.584 -0.336 0.000 1.068 71 A CA -0.995 50.989 52.037 -0.089 0.000 0.766 71 A CB -0.346 18.645 19.000 -0.017 0.000 1.003 71 A HN 0.627 nan 8.150 nan 0.000 0.497 72 P HA 0.254 nan 4.420 nan 0.000 0.275 72 P C -0.413 176.317 177.300 -0.949 0.000 1.266 72 P CA -0.599 61.826 63.100 -1.124 0.000 0.793 72 P CB 0.415 31.018 31.700 -1.828 0.000 1.074 73 L N 1.084 121.962 121.223 -0.575 0.000 2.361 73 L HA 0.235 4.572 4.340 -0.005 0.000 0.278 73 L C -0.813 175.836 176.870 -0.369 0.000 1.113 73 L CA -0.009 54.599 54.840 -0.388 0.000 0.849 73 L CB -0.679 41.276 42.059 -0.173 0.000 1.155 73 L HN 0.252 nan 8.230 nan 0.000 0.452 74 W N 4.877 126.163 121.300 -0.024 0.000 2.438 74 W HA 0.582 5.239 4.660 -0.005 0.000 0.324 74 W C -0.313 176.257 176.519 0.085 0.000 1.119 74 W CA -0.631 56.748 57.345 0.057 0.000 1.221 74 W CB 1.447 31.044 29.460 0.228 0.000 1.253 74 W HN 0.681 nan 8.180 nan 0.000 0.555 75 C N 3.106 122.578 119.300 0.286 0.000 2.535 75 C HA 0.869 5.326 4.460 -0.005 0.000 0.319 75 C C -0.240 174.758 174.990 0.014 0.000 1.171 75 C CA -0.559 58.538 59.018 0.131 0.000 1.394 75 C CB -0.377 27.401 27.740 0.063 0.000 1.990 75 C HN 0.785 nan 8.230 nan 0.000 0.466 76 A N 4.385 127.134 122.820 -0.118 0.000 2.260 76 A HA 0.587 4.904 4.320 -0.005 0.000 0.314 76 A C 0.528 178.044 177.584 -0.113 0.000 1.257 76 A CA 0.009 51.888 52.037 -0.265 0.000 0.871 76 A CB 0.767 19.431 19.000 -0.559 0.000 1.166 76 A HN 2.004 nan 8.150 nan 0.000 0.522 77 V N 0.196 120.064 119.914 -0.077 0.000 3.249 77 V HA 0.155 4.272 4.120 -0.005 0.000 0.338 77 V C 0.558 176.644 176.094 -0.014 0.000 1.363 77 V CA 0.627 62.925 62.300 -0.003 0.000 1.205 77 V CB -0.935 30.932 31.823 0.072 0.000 1.164 77 V HN 0.683 nan 8.190 nan 0.000 0.458 78 D N 1.804 122.169 120.400 -0.058 0.000 2.133 78 D HA -0.193 4.444 4.640 -0.005 0.000 0.195 78 D C 1.838 178.128 176.300 -0.018 0.000 0.997 78 D CA 1.980 55.953 54.000 -0.044 0.000 0.840 78 D CB -0.314 40.444 40.800 -0.069 0.000 0.947 78 D HN 0.517 nan 8.370 nan 0.000 0.452 79 L N -0.470 120.753 121.223 -0.000 0.000 2.465 79 L HA 0.010 4.347 4.340 -0.005 0.000 0.224 79 L C 2.342 179.215 176.870 0.004 0.000 1.145 79 L CA 0.469 55.300 54.840 -0.015 0.000 0.834 79 L CB -0.065 42.005 42.059 0.019 0.000 0.944 79 L HN 0.019 nan 8.230 nan 0.000 0.451 80 R N -0.501 120.023 120.500 0.040 0.000 2.502 80 R HA -0.015 4.322 4.340 -0.005 0.000 0.174 80 R C 1.567 177.910 176.300 0.072 0.000 1.201 80 R CA 0.628 56.770 56.100 0.069 0.000 1.151 80 R CB -0.512 29.841 30.300 0.089 0.000 1.202 80 R HN -0.000 nan 8.270 nan 0.000 0.509 81 D N 0.168 120.612 120.400 0.073 0.000 2.123 81 D HA -0.087 4.551 4.640 -0.005 0.000 0.196 81 D C 1.565 177.908 176.300 0.071 0.000 0.992 81 D CA 1.780 55.834 54.000 0.091 0.000 0.833 81 D CB -0.313 40.565 40.800 0.130 0.000 0.954 81 D HN 0.485 nan 8.370 nan 0.000 0.455 82 G N 0.080 108.903 108.800 0.038 0.000 2.404 82 G HA2 -0.304 3.653 3.960 -0.005 0.000 0.215 82 G HA3 -0.304 3.653 3.960 -0.005 0.000 0.215 82 G C 1.706 176.616 174.900 0.018 0.000 1.174 82 G CA 0.858 45.971 45.100 0.022 0.000 0.780 82 G HN 0.288 nan 8.290 nan 0.000 0.537 83 N N 0.323 119.027 118.700 0.007 0.000 2.104 83 N HA -0.158 4.579 4.740 -0.005 0.000 0.190 83 N C 2.174 177.691 175.510 0.013 0.000 1.024 83 N CA 1.690 54.736 53.050 -0.007 0.000 0.853 83 N CB -0.323 38.144 38.487 -0.032 0.000 1.008 83 N HN 0.319 nan 8.380 nan 0.000 0.424 84 Q N -0.266 119.558 119.800 0.041 0.000 2.248 84 Q HA -0.001 4.336 4.340 -0.005 0.000 0.208 84 Q C 1.241 177.268 176.000 0.045 0.000 0.984 84 Q CA 1.769 57.605 55.803 0.056 0.000 0.875 84 Q CB -0.415 28.378 28.738 0.092 0.000 0.910 84 Q HN 0.447 nan 8.270 nan 0.000 0.433 85 A N -0.735 122.109 122.820 0.041 0.000 2.275 85 A HA 0.279 4.596 4.320 -0.005 0.000 0.212 85 A C -0.003 177.593 177.584 0.020 0.000 1.201 85 A CA -0.279 51.780 52.037 0.037 0.000 0.843 85 A CB 0.077 19.107 19.000 0.049 0.000 0.873 85 A HN 0.296 nan 8.150 nan 0.000 0.492 86 L N -0.532 120.697 121.223 0.009 0.000 2.289 86 L HA 0.360 4.697 4.340 -0.005 0.000 0.285 86 L C 1.903 178.769 176.870 -0.006 0.000 1.049 86 L CA -0.520 54.317 54.840 -0.004 0.000 0.804 86 L CB 1.299 43.346 42.059 -0.020 0.000 1.195 86 L HN 0.295 nan 8.230 nan 0.000 0.428 87 I N 0.643 121.208 120.570 -0.008 0.000 2.163 87 I HA -0.173 3.994 4.170 -0.005 0.000 0.243 87 I C 0.856 176.964 176.117 -0.015 0.000 1.085 87 I CA 1.708 63.003 61.300 -0.009 0.000 1.347 87 I CB -0.507 37.488 38.000 -0.009 0.000 1.044 87 I HN 0.659 nan 8.210 nan 0.000 0.408 88 D N 2.311 122.696 120.400 -0.025 0.000 2.454 88 D HA 0.392 5.029 4.640 -0.005 0.000 0.225 88 D C -2.791 173.481 176.300 -0.046 0.000 1.081 88 D CA -1.277 52.701 54.000 -0.035 0.000 0.864 88 D CB 0.816 41.589 40.800 -0.045 0.000 1.040 88 D HN 0.418 nan 8.370 nan 0.000 0.517 89 P HA 0.122 nan 4.420 nan 0.000 0.274 89 P C 0.271 177.529 177.300 -0.069 0.000 1.237 89 P CA -0.475 62.597 63.100 -0.046 0.000 0.793 89 P CB 1.006 32.689 31.700 -0.029 0.000 0.977 90 M N 1.208 120.755 119.600 -0.088 0.000 2.269 90 M HA 0.037 4.514 4.480 -0.005 0.000 0.350 90 M C 1.147 177.390 176.300 -0.096 0.000 1.429 90 M CA 0.382 55.613 55.300 -0.115 0.000 1.063 90 M CB -0.172 32.346 32.600 -0.138 0.000 1.841 90 M HN 0.401 nan 8.290 nan 0.000 0.455 91 S N 3.813 119.463 115.700 -0.083 0.000 2.589 91 S HA 0.168 4.635 4.470 -0.005 0.000 0.265 91 S C -1.933 172.649 174.600 -0.031 0.000 1.342 91 S CA -1.164 57.011 58.200 -0.041 0.000 1.005 91 S CB 0.236 63.420 63.200 -0.025 0.000 0.909 91 S HN 0.477 nan 8.310 nan 0.000 0.555 92 P HA -0.123 nan 4.420 nan 0.000 0.217 92 P C 1.468 178.817 177.300 0.081 0.000 1.148 92 P CA 1.974 65.109 63.100 0.058 0.000 0.834 92 P CB -0.230 31.531 31.700 0.101 0.000 0.783 93 A N -0.549 122.318 122.820 0.078 0.000 1.897 93 A HA -0.164 4.153 4.320 -0.005 0.000 0.215 93 A C 2.274 179.942 177.584 0.141 0.000 1.181 93 A CA 1.300 53.407 52.037 0.117 0.000 0.620 93 A CB -0.980 18.097 19.000 0.129 0.000 0.821 93 A HN 0.020 nan 8.150 nan 0.000 0.443 94 R N 0.021 120.568 120.500 0.079 0.000 2.103 94 R HA -0.155 4.182 4.340 -0.005 0.000 0.242 94 R C 2.227 178.538 176.300 0.019 0.000 1.142 94 R CA 1.961 58.075 56.100 0.024 0.000 0.960 94 R CB -0.264 29.938 30.300 -0.164 0.000 0.858 94 R HN 0.527 nan 8.270 nan 0.000 0.439 95 K N -0.358 120.008 120.400 -0.056 0.000 2.009 95 K HA -0.165 4.152 4.320 -0.005 0.000 0.210 95 K C 2.367 179.030 176.600 0.104 0.000 1.049 95 K CA 1.677 57.868 56.287 -0.160 0.000 0.929 95 K CB -0.137 31.977 32.500 -0.644 0.000 0.714 95 K HN -0.025 nan 8.250 nan 0.000 0.440 96 R N 0.435 121.076 120.500 0.236 0.000 2.103 96 R HA -0.143 4.194 4.340 -0.005 0.000 0.242 96 R C 2.502 178.967 176.300 0.275 0.000 1.142 96 R CA 1.693 57.980 56.100 0.312 0.000 0.960 96 R CB -1.107 29.328 30.300 0.225 0.000 0.858 96 R HN 0.306 nan 8.270 nan 0.000 0.439 97 R N -0.071 120.553 120.500 0.207 0.000 2.120 97 R HA -0.003 4.334 4.340 -0.005 0.000 0.234 97 R C 2.251 178.649 176.300 0.163 0.000 1.123 97 R CA 1.981 58.191 56.100 0.183 0.000 0.975 97 R CB -0.728 29.710 30.300 0.230 0.000 0.866 97 R HN 0.494 nan 8.270 nan 0.000 0.446 98 M N -0.608 119.087 119.600 0.158 0.000 2.160 98 M HA 0.186 4.663 4.480 -0.005 0.000 0.264 98 M C 1.834 178.212 176.300 0.130 0.000 1.073 98 M CA 1.425 56.791 55.300 0.110 0.000 1.142 98 M CB -1.043 31.593 32.600 0.060 0.000 1.358 98 M HN 0.326 nan 8.290 nan 0.000 0.422 99 F N 1.053 121.049 119.950 0.078 0.000 2.065 99 F HA -0.291 4.233 4.527 -0.005 0.000 0.298 99 F C 2.003 177.852 175.800 0.082 0.000 1.112 99 F CA 2.687 60.756 58.000 0.115 0.000 1.212 99 F CB -0.796 38.349 39.000 0.241 0.000 0.975 99 F HN 0.393 nan 8.300 nan 0.000 0.476 100 D N -0.182 120.316 120.400 0.164 0.000 2.144 100 D HA -0.192 4.445 4.640 -0.005 0.000 0.199 100 D C 2.132 178.417 176.300 -0.026 0.000 0.984 100 D CA 1.179 55.215 54.000 0.060 0.000 0.834 100 D CB -0.300 40.586 40.800 0.144 0.000 0.955 100 D HN 0.310 nan 8.370 nan 0.000 0.465 101 L N 0.029 121.253 121.223 0.001 0.000 2.046 101 L HA -0.052 4.285 4.340 -0.005 0.000 0.208 101 L C 2.093 178.937 176.870 -0.043 0.000 1.077 101 L CA 1.476 56.308 54.840 -0.013 0.000 0.747 101 L CB -0.441 41.630 42.059 0.019 0.000 0.896 101 L HN 0.157 nan 8.230 nan 0.000 0.432 102 L N -2.068 119.108 121.223 -0.079 0.000 2.056 102 L HA -0.176 4.161 4.340 -0.005 0.000 0.207 102 L C 2.439 179.296 176.870 -0.023 0.000 1.078 102 L CA 0.904 55.725 54.840 -0.032 0.000 0.749 102 L CB -0.756 41.204 42.059 -0.165 0.000 0.901 102 L HN 0.068 nan 8.230 nan 0.000 0.433 103 V N 0.113 119.896 119.914 -0.217 0.000 2.252 103 V HA -0.350 3.767 4.120 -0.005 0.000 0.249 103 V C 2.688 178.700 176.094 -0.136 0.000 1.056 103 V CA 2.187 64.358 62.300 -0.215 0.000 1.022 103 V CB -0.619 31.027 31.823 -0.294 0.000 0.641 103 V HN 0.454 nan 8.190 nan 0.000 0.445 104 R N -0.912 119.519 120.500 -0.115 0.000 2.189 104 R HA -0.052 4.285 4.340 -0.005 0.000 0.223 104 R C 2.196 178.409 176.300 -0.145 0.000 1.092 104 R CA 1.232 57.268 56.100 -0.105 0.000 0.989 104 R CB -0.142 30.113 30.300 -0.075 0.000 0.876 104 R HN 0.457 nan 8.270 nan 0.000 0.457 105 M N -1.542 117.964 119.600 -0.156 0.000 2.349 105 M HA 0.070 4.547 4.480 -0.005 0.000 0.266 105 M C 0.969 177.009 176.300 -0.433 0.000 1.076 105 M CA 1.479 56.608 55.300 -0.285 0.000 1.126 105 M CB 0.738 33.203 32.600 -0.225 0.000 1.392 105 M HN 0.490 nan 8.290 nan 0.000 0.440 106 G N -0.994 107.592 108.800 -0.357 0.000 2.200 106 G HA2 -0.154 3.803 3.960 -0.005 0.000 0.145 106 G HA3 -0.154 3.803 3.960 -0.005 0.000 0.145 106 G C -0.515 174.165 174.900 -0.368 0.000 1.021 106 G CA -0.828 44.052 45.100 -0.366 0.000 0.720 106 G HN 0.327 nan 8.290 nan 0.000 0.494 107 Y N 0.996 121.207 120.300 -0.150 0.000 2.319 107 Y HA 0.536 5.083 4.550 -0.005 0.000 0.328 107 Y C 1.461 177.308 175.900 -0.088 0.000 1.133 107 Y CA -0.091 57.950 58.100 -0.097 0.000 1.265 107 Y CB 1.149 39.536 38.460 -0.123 0.000 1.218 107 Y HN -0.114 nan 8.280 nan 0.000 0.508 108 K N 1.521 121.980 120.400 0.099 0.000 2.380 108 K HA 0.202 4.519 4.320 -0.005 0.000 0.198 108 K C -0.521 176.107 176.600 0.046 0.000 1.070 108 K CA 0.273 56.580 56.287 0.034 0.000 1.040 108 K CB 0.868 33.375 32.500 0.011 0.000 0.903 108 K HN 0.741 nan 8.250 nan 0.000 0.549 109 E N 0.820 121.074 120.200 0.090 0.000 2.275 109 E HA 0.494 4.841 4.350 -0.005 0.000 0.270 109 E C -0.938 175.702 176.600 0.066 0.000 0.882 109 E CA -0.384 56.055 56.400 0.065 0.000 0.758 109 E CB 2.499 32.229 29.700 0.050 0.000 1.195 109 E HN -0.061 nan 8.360 nan 0.000 0.419 110 I N 2.144 122.751 120.570 0.063 0.000 2.571 110 I HA 0.157 4.324 4.170 -0.005 0.000 0.286 110 I C -0.644 175.543 176.117 0.117 0.000 1.134 110 I CA -0.540 60.801 61.300 0.069 0.000 1.052 110 I CB 2.174 40.219 38.000 0.075 0.000 1.237 110 I HN 0.473 nan 8.210 nan 0.000 0.435 111 E N 4.930 125.185 120.200 0.092 0.000 2.180 111 E HA 0.215 4.562 4.350 -0.005 0.000 0.283 111 E C 0.617 177.307 176.600 0.150 0.000 1.061 111 E CA -0.259 56.206 56.400 0.109 0.000 0.861 111 E CB 1.182 30.936 29.700 0.089 0.000 1.056 111 E HN 0.569 nan 8.360 nan 0.000 0.407 112 V N 1.326 121.351 119.914 0.184 0.000 3.643 112 V HA 0.579 4.696 4.120 -0.005 0.000 0.280 112 V C 0.584 176.821 176.094 0.237 0.000 1.351 112 V CA 0.514 62.976 62.300 0.271 0.000 1.073 112 V CB 0.066 32.082 31.823 0.322 0.000 0.863 112 V HN 0.638 nan 8.190 nan 0.000 0.436 113 G N -0.572 108.333 108.800 0.174 0.000 2.324 113 G HA2 0.355 4.312 3.960 -0.005 0.000 0.293 113 G HA3 0.355 4.312 3.960 -0.005 0.000 0.293 113 G C -1.580 173.455 174.900 0.225 0.000 1.297 113 G CA -0.441 44.776 45.100 0.195 0.000 0.853 113 G HN 0.156 nan 8.290 nan 0.000 0.535 114 F N 1.896 121.910 119.950 0.106 0.000 2.471 114 F HA 0.376 4.900 4.527 -0.005 0.000 0.318 114 F C -1.571 174.312 175.800 0.138 0.000 1.308 114 F CA -2.360 55.709 58.000 0.115 0.000 1.162 114 F CB 1.937 41.002 39.000 0.108 0.000 1.383 114 F HN 0.227 nan 8.300 nan 0.000 0.552 115 P HA -0.257 nan 4.420 nan 0.000 0.216 115 P C 1.766 179.294 177.300 0.380 0.000 1.154 115 P CA 1.908 65.216 63.100 0.346 0.000 0.865 115 P CB 0.106 31.942 31.700 0.226 0.000 0.789 116 S N -1.443 114.459 115.700 0.337 0.000 2.481 116 S HA 0.052 4.519 4.470 -0.005 0.000 0.231 116 S C 1.765 176.362 174.600 -0.005 0.000 0.996 116 S CA 0.924 59.249 58.200 0.209 0.000 0.942 116 S CB -0.841 62.507 63.200 0.247 0.000 0.768 116 S HN 0.124 nan 8.310 nan 0.000 0.520 117 A N 0.146 122.848 122.820 -0.197 0.000 2.288 117 A HA 0.585 4.902 4.320 -0.005 0.000 0.216 117 A C 0.890 178.358 177.584 -0.192 0.000 1.199 117 A CA 0.270 52.061 52.037 -0.409 0.000 0.891 117 A CB 0.285 18.596 19.000 -1.148 0.000 0.923 117 A HN 0.528 nan 8.150 nan 0.000 0.500 118 S N -0.850 114.823 115.700 -0.045 0.000 2.720 118 S HA 0.368 4.835 4.470 -0.005 0.000 0.278 118 S C 0.312 174.972 174.600 0.100 0.000 1.172 118 S CA -0.349 57.863 58.200 0.020 0.000 1.019 118 S CB 1.568 64.795 63.200 0.045 0.000 1.049 118 S HN 0.223 nan 8.310 nan 0.000 0.483 119 Q N 3.320 123.158 119.800 0.064 0.000 2.096 119 Q HA -0.108 4.229 4.340 -0.005 0.000 0.204 119 Q C 1.862 177.961 176.000 0.166 0.000 0.982 119 Q CA 3.123 58.982 55.803 0.093 0.000 0.850 119 Q CB -0.759 27.990 28.738 0.019 0.000 0.901 119 Q HN 0.940 nan 8.270 nan 0.000 0.422 120 T N -1.683 112.942 114.554 0.120 0.000 2.803 120 T HA -0.156 4.192 4.350 -0.005 0.000 0.269 120 T C 1.238 176.046 174.700 0.180 0.000 1.052 120 T CA 1.416 63.592 62.100 0.127 0.000 1.136 120 T CB -0.412 68.498 68.868 0.070 0.000 0.864 120 T HN 0.224 nan 8.240 nan 0.000 0.467 121 D N 0.367 120.880 120.400 0.188 0.000 2.103 121 D HA 0.082 4.719 4.640 -0.005 0.000 0.199 121 D C 1.547 178.003 176.300 0.260 0.000 0.978 121 D CA 0.393 54.527 54.000 0.223 0.000 0.829 121 D CB -0.570 40.360 40.800 0.216 0.000 0.981 121 D HN 0.383 nan 8.370 nan 0.000 0.464 122 F N 1.607 121.629 119.950 0.120 0.000 2.065 122 F HA -0.249 4.275 4.527 -0.005 0.000 0.298 122 F C 1.867 177.717 175.800 0.084 0.000 1.112 122 F CA 1.630 59.688 58.000 0.097 0.000 1.212 122 F CB 0.068 39.113 39.000 0.074 0.000 0.975 122 F HN -0.119 nan 8.300 nan 0.000 0.476 123 D N -0.277 120.341 120.400 0.363 0.000 2.117 123 D HA -0.219 4.418 4.640 -0.005 0.000 0.197 123 D C 2.054 178.430 176.300 0.126 0.000 0.987 123 D CA 1.346 55.491 54.000 0.242 0.000 0.829 123 D CB -0.806 40.117 40.800 0.206 0.000 0.961 123 D HN 0.354 nan 8.370 nan 0.000 0.460 124 F N 1.619 121.578 119.950 0.015 0.000 2.171 124 F HA -0.198 4.326 4.527 -0.005 0.000 0.300 124 F C 2.141 177.873 175.800 -0.114 0.000 1.090 124 F CA 0.931 58.904 58.000 -0.046 0.000 1.293 124 F CB -0.205 38.776 39.000 -0.032 0.000 1.013 124 F HN -0.229 nan 8.300 nan 0.000 0.486 125 V N 0.769 120.572 119.914 -0.184 0.000 2.307 125 V HA -0.249 3.869 4.120 -0.005 0.000 0.245 125 V C 2.632 178.515 176.094 -0.352 0.000 1.045 125 V CA 1.773 63.884 62.300 -0.315 0.000 1.024 125 V CB -0.626 31.069 31.823 -0.215 0.000 0.651 125 V HN 0.192 nan 8.190 nan 0.000 0.449 126 R N 0.220 120.546 120.500 -0.290 0.000 2.083 126 R HA -0.185 4.152 4.340 -0.005 0.000 0.237 126 R C 2.236 178.420 176.300 -0.193 0.000 1.137 126 R CA 1.855 57.831 56.100 -0.208 0.000 0.951 126 R CB -0.917 29.334 30.300 -0.083 0.000 0.851 126 R HN 0.760 nan 8.270 nan 0.000 0.434 127 E N 1.037 121.108 120.200 -0.216 0.000 2.023 127 E HA -0.195 4.153 4.350 -0.005 0.000 0.196 127 E C 1.955 178.354 176.600 -0.335 0.000 1.003 127 E CA 1.930 58.190 56.400 -0.234 0.000 0.809 127 E CB -0.207 29.379 29.700 -0.190 0.000 0.755 127 E HN 0.448 nan 8.360 nan 0.000 0.449 128 I N -1.177 119.052 120.570 -0.568 0.000 2.614 128 I HA -0.142 4.025 4.170 -0.005 0.000 0.258 128 I C 2.216 178.134 176.117 -0.331 0.000 1.189 128 I CA 0.890 61.861 61.300 -0.548 0.000 1.462 128 I CB -0.315 37.142 38.000 -0.905 0.000 1.092 128 I HN 0.079 nan 8.210 nan 0.000 0.442 129 I N 1.274 121.674 120.570 -0.282 0.000 2.277 129 I HA -0.127 4.040 4.170 -0.005 0.000 0.243 129 I C 2.544 178.583 176.117 -0.131 0.000 1.094 129 I CA 1.295 62.485 61.300 -0.184 0.000 1.393 129 I CB -0.363 37.538 38.000 -0.166 0.000 1.078 129 I HN 0.158 nan 8.210 nan 0.000 0.417 130 E N 0.642 120.768 120.200 -0.123 0.000 2.107 130 E HA -0.218 4.129 4.350 -0.005 0.000 0.191 130 E C 2.453 179.011 176.600 -0.070 0.000 0.982 130 E CA 1.248 57.602 56.400 -0.077 0.000 0.809 130 E CB -0.178 29.489 29.700 -0.056 0.000 0.756 130 E HN 0.557 nan 8.360 nan 0.000 0.459 131 Q N 0.462 120.205 119.800 -0.094 0.000 2.364 131 Q HA 0.016 4.353 4.340 -0.005 0.000 0.207 131 Q C 1.637 177.600 176.000 -0.062 0.000 0.970 131 Q CA 1.172 56.930 55.803 -0.075 0.000 0.888 131 Q CB -0.765 27.919 28.738 -0.090 0.000 0.951 131 Q HN 0.460 nan 8.270 nan 0.000 0.469 132 G N -1.388 107.368 108.800 -0.073 0.000 2.198 132 G HA2 0.031 3.989 3.960 -0.005 0.000 0.257 132 G HA3 0.031 3.989 3.960 -0.005 0.000 0.257 132 G C 0.866 175.742 174.900 -0.039 0.000 1.042 132 G CA 0.733 45.801 45.100 -0.052 0.000 0.791 132 G HN 1.624 nan 8.290 nan 0.000 0.502 133 A N -0.855 121.926 122.820 -0.065 0.000 2.238 133 A HA 0.580 4.897 4.320 -0.005 0.000 0.208 133 A C 1.056 178.702 177.584 0.104 0.000 1.177 133 A CA 0.605 52.631 52.037 -0.018 0.000 0.804 133 A CB 0.066 18.991 19.000 -0.125 0.000 0.823 133 A HN 0.774 nan 8.150 nan 0.000 0.482 134 I N 1.841 122.450 120.570 0.065 0.000 2.330 134 I HA 0.245 4.412 4.170 -0.005 0.000 0.286 134 I C -2.248 173.910 176.117 0.069 0.000 1.025 134 I CA -2.102 59.278 61.300 0.134 0.000 1.197 134 I CB 1.157 39.193 38.000 0.060 0.000 1.358 134 I HN 0.008 nan 8.210 nan 0.000 0.467 135 P HA -0.036 nan 4.420 nan 0.000 0.270 135 P C 0.203 177.503 177.300 0.000 0.000 1.216 135 P CA 0.008 63.120 63.100 0.018 0.000 0.788 135 P CB 0.713 32.412 31.700 -0.001 0.000 0.883 136 D N 0.116 120.508 120.400 -0.013 0.000 2.219 136 D HA -0.120 4.517 4.640 -0.005 0.000 0.205 136 D C 0.828 177.111 176.300 -0.027 0.000 0.970 136 D CA 1.185 55.172 54.000 -0.023 0.000 0.851 136 D CB -0.258 40.527 40.800 -0.024 0.000 0.943 136 D HN 0.514 nan 8.370 nan 0.000 0.488 137 D N -0.376 120.009 120.400 -0.026 0.000 2.342 137 D HA 0.006 4.643 4.640 -0.005 0.000 0.221 137 D C 0.043 176.328 176.300 -0.025 0.000 1.101 137 D CA -0.172 53.810 54.000 -0.029 0.000 0.837 137 D CB 0.040 40.821 40.800 -0.033 0.000 0.938 137 D HN -0.099 nan 8.370 nan 0.000 0.508 138 V N 0.766 120.670 119.914 -0.017 0.000 2.398 138 V HA 0.358 4.475 4.120 -0.005 0.000 0.286 138 V C 0.079 176.173 176.094 0.000 0.000 1.026 138 V CA -0.415 61.882 62.300 -0.005 0.000 0.868 138 V CB 1.785 33.609 31.823 0.001 0.000 0.982 138 V HN 0.070 nan 8.190 nan 0.000 0.443 139 T N 6.351 120.905 114.554 0.001 0.000 2.794 139 T HA 0.586 4.933 4.350 -0.005 0.000 0.280 139 T C -0.043 174.671 174.700 0.023 0.000 0.987 139 T CA -0.182 61.911 62.100 -0.012 0.000 0.993 139 T CB 1.035 69.882 68.868 -0.035 0.000 0.939 139 T HN 0.628 nan 8.240 nan 0.000 0.449 140 I N 1.064 121.647 120.570 0.021 0.000 2.713 140 I HA 0.632 4.799 4.170 -0.005 0.000 0.300 140 I C -0.186 175.949 176.117 0.030 0.000 1.009 140 I CA -0.796 60.541 61.300 0.061 0.000 1.305 140 I CB 1.025 39.062 38.000 0.062 0.000 1.430 140 I HN 0.508 nan 8.210 nan 0.000 0.546 141 Q N 4.350 124.188 119.800 0.063 0.000 2.323 141 Q HA 0.665 5.003 4.340 -0.005 0.000 0.271 141 Q C -1.620 174.427 176.000 0.079 0.000 1.048 141 Q CA -0.868 54.972 55.803 0.061 0.000 0.792 141 Q CB 2.497 31.274 28.738 0.065 0.000 1.280 141 Q HN 0.776 nan 8.270 nan 0.000 0.441 142 V N 1.364 121.321 119.914 0.072 0.000 2.735 142 V HA 0.684 4.801 4.120 -0.005 0.000 0.310 142 V C -1.099 175.023 176.094 0.048 0.000 1.061 142 V CA -1.103 61.235 62.300 0.064 0.000 0.913 142 V CB 1.609 33.456 31.823 0.041 0.000 1.005 142 V HN 0.749 nan 8.190 nan 0.000 0.428 143 L N 2.878 124.066 121.223 -0.059 0.000 2.309 143 L HA 0.891 5.228 4.340 -0.005 0.000 0.282 143 L C 0.073 176.724 176.870 -0.365 0.000 1.036 143 L CA 0.643 55.298 54.840 -0.309 0.000 0.806 143 L CB 1.734 43.434 42.059 -0.599 0.000 1.220 143 L HN 1.125 nan 8.230 nan 0.000 0.429 144 T N 3.021 117.462 114.554 -0.187 0.000 2.900 144 T HA 0.436 4.783 4.350 -0.005 0.000 0.303 144 T C -0.855 173.847 174.700 0.004 0.000 1.142 144 T CA -0.493 61.639 62.100 0.054 0.000 1.007 144 T CB 1.256 70.253 68.868 0.214 0.000 1.156 144 T HN 0.718 nan 8.240 nan 0.000 0.490 145 Q N 0.822 120.677 119.800 0.092 0.000 2.256 145 Q HA 0.329 4.666 4.340 -0.005 0.000 0.232 145 Q C 0.660 176.668 176.000 0.013 0.000 0.965 145 Q CA -0.741 54.971 55.803 -0.152 0.000 0.908 145 Q CB 0.965 29.702 28.738 -0.001 0.000 1.209 145 Q HN 0.792 nan 8.270 nan 0.000 0.489 146 C N 0.678 119.976 119.300 -0.003 0.000 2.562 146 C HA 0.078 4.535 4.460 -0.005 0.000 0.266 146 C C 0.737 175.744 174.990 0.029 0.000 1.382 146 C CA -0.094 58.954 59.018 0.051 0.000 1.742 146 C CB -0.843 26.944 27.740 0.077 0.000 1.812 146 C HN 0.549 nan 8.230 nan 0.000 0.559 147 R N 1.940 122.467 120.500 0.046 0.000 2.570 147 R HA 0.044 4.381 4.340 -0.005 0.000 0.277 147 R C -1.162 175.158 176.300 0.033 0.000 1.039 147 R CA -0.523 55.602 56.100 0.042 0.000 1.065 147 R CB 0.219 30.552 30.300 0.055 0.000 0.964 147 R HN 0.221 nan 8.270 nan 0.000 0.428 148 P HA -0.265 nan 4.420 nan 0.000 0.215 148 P C 0.917 178.230 177.300 0.023 0.000 1.157 148 P CA 1.543 64.640 63.100 -0.004 0.000 0.874 148 P CB 0.043 31.733 31.700 -0.016 0.000 0.790 149 E N 0.432 120.653 120.200 0.034 0.000 2.268 149 E HA -0.122 4.225 4.350 -0.005 0.000 0.195 149 E C 1.998 178.647 176.600 0.081 0.000 0.995 149 E CA 0.945 57.375 56.400 0.050 0.000 0.836 149 E CB -1.001 28.721 29.700 0.037 0.000 0.763 149 E HN 0.315 nan 8.360 nan 0.000 0.491 150 L N 0.093 121.373 121.223 0.095 0.000 2.202 150 L HA 0.095 4.432 4.340 -0.005 0.000 0.205 150 L C 2.694 179.670 176.870 0.176 0.000 1.083 150 L CA 0.299 55.224 54.840 0.142 0.000 0.790 150 L CB -0.273 41.879 42.059 0.156 0.000 0.942 150 L HN -0.019 nan 8.230 nan 0.000 0.452 151 I N 0.290 120.947 120.570 0.145 0.000 2.179 151 I HA -0.289 3.879 4.170 -0.005 0.000 0.242 151 I C 2.505 178.779 176.117 0.261 0.000 1.088 151 I CA 1.357 62.773 61.300 0.193 0.000 1.357 151 I CB -0.168 37.889 38.000 0.095 0.000 1.051 151 I HN 0.263 nan 8.210 nan 0.000 0.409 152 E N 0.627 120.914 120.200 0.146 0.000 2.048 152 E HA -0.332 4.015 4.350 -0.005 0.000 0.202 152 E C 2.313 179.047 176.600 0.225 0.000 1.021 152 E CA 1.880 58.367 56.400 0.144 0.000 0.825 152 E CB -0.135 29.623 29.700 0.096 0.000 0.756 152 E HN 0.248 nan 8.360 nan 0.000 0.454 153 R N -0.348 120.281 120.500 0.214 0.000 2.148 153 R HA -0.097 4.240 4.340 -0.005 0.000 0.227 153 R C 2.030 178.517 176.300 0.311 0.000 1.103 153 R CA 1.678 57.940 56.100 0.271 0.000 0.983 153 R CB -0.070 30.365 30.300 0.224 0.000 0.874 153 R HN 0.137 nan 8.270 nan 0.000 0.451 154 T N 0.202 114.903 114.554 0.246 0.000 2.777 154 T HA -0.083 4.264 4.350 -0.005 0.000 0.266 154 T C 1.235 175.933 174.700 -0.003 0.000 1.040 154 T CA 1.329 63.516 62.100 0.145 0.000 1.141 154 T CB -0.229 68.722 68.868 0.138 0.000 0.868 154 T HN 0.146 nan 8.240 nan 0.000 0.444 155 F N 1.664 121.546 119.950 -0.114 0.000 2.146 155 F HA -0.067 4.457 4.527 -0.005 0.000 0.298 155 F C 2.725 178.298 175.800 -0.377 0.000 1.096 155 F CA 1.023 58.792 58.000 -0.384 0.000 1.275 155 F CB -0.607 38.016 39.000 -0.629 0.000 1.008 155 F HN 0.134 nan 8.300 nan 0.000 0.480 156 Q N -0.105 119.752 119.800 0.094 0.000 2.118 156 Q HA -0.299 4.038 4.340 -0.005 0.000 0.211 156 Q C 2.445 178.503 176.000 0.096 0.000 0.998 156 Q CA 1.988 57.932 55.803 0.234 0.000 0.872 156 Q CB -0.587 28.388 28.738 0.396 0.000 0.925 156 Q HN 0.476 nan 8.270 nan 0.000 0.414 157 A N -0.285 122.484 122.820 -0.084 0.000 1.969 157 A HA -0.139 4.178 4.320 -0.005 0.000 0.218 157 A C 2.062 179.468 177.584 -0.297 0.000 1.169 157 A CA 1.111 52.813 52.037 -0.559 0.000 0.635 157 A CB -0.412 18.129 19.000 -0.766 0.000 0.810 157 A HN 0.525 nan 8.150 nan 0.000 0.445 158 C N 0.006 119.228 119.300 -0.130 0.000 2.576 158 C HA 0.238 4.695 4.460 -0.005 0.000 0.267 158 C C 1.551 176.541 174.990 -0.001 0.000 1.364 158 C CA -0.292 58.693 59.018 -0.056 0.000 1.723 158 C CB -1.841 25.939 27.740 0.067 0.000 1.778 158 C HN 0.529 nan 8.230 nan 0.000 0.572 159 S N 0.562 116.288 115.700 0.044 0.000 2.784 159 S HA 0.305 4.772 4.470 -0.005 0.000 0.322 159 S C 1.399 176.054 174.600 0.091 0.000 1.234 159 S CA 1.448 59.753 58.200 0.175 0.000 1.064 159 S CB -0.227 63.141 63.200 0.280 0.000 0.787 159 S HN 1.189 nan 8.310 nan 0.000 0.506 160 G N 2.883 111.746 108.800 0.104 0.000 2.148 160 G HA2 -0.154 3.803 3.960 -0.005 0.000 0.254 160 G HA3 -0.154 3.803 3.960 -0.005 0.000 0.254 160 G C 0.224 175.081 174.900 -0.071 0.000 0.981 160 G CA 0.160 45.273 45.100 0.021 0.000 0.670 160 G HN 1.475 nan 8.290 nan 0.000 0.528 161 A N 0.664 123.399 122.820 -0.142 0.000 2.440 161 A HA 0.675 4.992 4.320 -0.005 0.000 0.251 161 A C 0.107 177.532 177.584 -0.265 0.000 1.089 161 A CA -0.344 51.564 52.037 -0.215 0.000 0.779 161 A CB 0.674 19.513 19.000 -0.268 0.000 1.022 161 A HN 0.130 nan 8.150 nan 0.000 0.492 162 P HA -0.105 nan 4.420 nan 0.000 0.216 162 P C 0.152 177.294 177.300 -0.264 0.000 1.150 162 P CA 1.354 64.341 63.100 -0.189 0.000 0.837 162 P CB 0.051 31.677 31.700 -0.122 0.000 0.786 163 R N -1.332 118.995 120.500 -0.289 0.000 2.594 163 R HA 0.767 5.104 4.340 -0.005 0.000 0.265 163 R C -1.978 174.139 176.300 -0.305 0.000 1.070 163 R CA -0.964 54.945 56.100 -0.317 0.000 0.909 163 R CB 1.247 31.432 30.300 -0.191 0.000 1.243 163 R HN -0.076 nan 8.270 nan 0.000 0.455 164 A N 3.377 125.991 122.820 -0.344 0.000 2.515 164 A HA 0.655 4.973 4.320 -0.005 0.000 0.298 164 A C -1.025 176.494 177.584 -0.109 0.000 1.059 164 A CA -0.971 50.946 52.037 -0.200 0.000 0.698 164 A CB 1.514 20.391 19.000 -0.204 0.000 1.289 164 A HN 0.660 nan 8.150 nan 0.000 0.404 165 I N 1.591 122.126 120.570 -0.058 0.000 2.315 165 I HA 0.340 4.507 4.170 -0.005 0.000 0.291 165 I C -0.520 175.602 176.117 0.008 0.000 1.006 165 I CA -0.546 60.728 61.300 -0.044 0.000 1.265 165 I CB 1.638 39.625 38.000 -0.021 0.000 1.387 165 I HN 0.299 nan 8.210 nan 0.000 0.475 166 V N 6.451 126.363 119.914 -0.003 0.000 2.350 166 V HA 0.164 4.281 4.120 -0.005 0.000 0.276 166 V C 0.012 176.347 176.094 0.401 0.000 1.028 166 V CA -0.503 61.877 62.300 0.132 0.000 0.860 166 V CB 0.831 32.668 31.823 0.023 0.000 0.990 166 V HN 0.663 nan 8.190 nan 0.000 0.453 167 H N 6.509 125.703 119.070 0.207 0.000 2.661 167 H HA 0.508 5.061 4.556 -0.005 0.000 0.290 167 H C -0.896 174.586 175.328 0.256 0.000 1.082 167 H CA -0.868 55.279 56.048 0.165 0.000 1.234 167 H CB 0.615 30.396 29.762 0.032 0.000 1.387 167 H HN 0.633 nan 8.280 nan 0.000 0.476 168 F N 4.383 124.568 119.950 0.391 0.000 2.470 168 F HA 0.547 5.072 4.527 -0.005 0.000 0.329 168 F C -1.538 174.453 175.800 0.319 0.000 1.072 168 F CA -1.128 57.015 58.000 0.239 0.000 0.989 168 F CB 0.875 40.011 39.000 0.227 0.000 1.193 168 F HN 0.372 nan 8.300 nan 0.000 0.481 169 Y N 0.322 120.693 120.300 0.118 0.000 2.609 169 Y HA 0.646 5.193 4.550 -0.005 0.000 0.336 169 Y C -1.971 174.018 175.900 0.149 0.000 1.129 169 Y CA -1.584 56.497 58.100 -0.032 0.000 1.040 169 Y CB 1.452 39.778 38.460 -0.223 0.000 1.310 169 Y HN 0.904 nan 8.280 nan 0.000 0.460 170 N N 0.814 119.629 118.700 0.191 0.000 2.331 170 N HA 0.293 5.030 4.740 -0.005 0.000 0.280 170 N C -1.727 173.889 175.510 0.176 0.000 1.155 170 N CA -0.630 52.484 53.050 0.108 0.000 0.822 170 N CB 2.068 40.578 38.487 0.039 0.000 1.619 170 N HN 0.728 nan 8.380 nan 0.000 0.476 171 S N -0.254 115.543 115.700 0.162 0.000 2.516 171 S HA 0.216 4.683 4.470 -0.005 0.000 0.282 171 S C 0.946 175.586 174.600 0.067 0.000 1.286 171 S CA 0.255 58.563 58.200 0.181 0.000 1.066 171 S CB -0.235 63.177 63.200 0.354 0.000 0.884 171 S HN 0.676 nan 8.310 nan 0.000 0.491 172 T N 0.505 115.147 114.554 0.148 0.000 3.040 172 T HA 0.207 4.554 4.350 -0.005 0.000 0.266 172 T C 0.670 175.509 174.700 0.231 0.000 1.005 172 T CA 0.066 62.288 62.100 0.203 0.000 0.906 172 T CB -0.297 68.686 68.868 0.192 0.000 1.082 172 T HN 0.628 nan 8.240 nan 0.000 0.531 173 S N 1.335 117.140 115.700 0.175 0.000 2.566 173 S HA 0.278 4.745 4.470 -0.005 0.000 0.280 173 S C 1.464 176.123 174.600 0.099 0.000 1.343 173 S CA -0.692 57.586 58.200 0.130 0.000 1.036 173 S CB 0.129 63.397 63.200 0.114 0.000 0.866 173 S HN 0.310 nan 8.310 nan 0.000 0.526 174 I N 0.966 121.562 120.570 0.043 0.000 2.143 174 I HA -0.246 3.921 4.170 -0.005 0.000 0.245 174 I C 2.453 178.585 176.117 0.024 0.000 1.068 174 I CA 1.455 62.756 61.300 0.002 0.000 1.326 174 I CB -0.649 37.325 38.000 -0.042 0.000 1.028 174 I HN 0.589 nan 8.210 nan 0.000 0.412 175 L N 0.665 121.910 121.223 0.036 0.000 1.970 175 L HA -0.252 4.085 4.340 -0.005 0.000 0.212 175 L C 2.596 179.518 176.870 0.087 0.000 1.071 175 L CA 1.924 56.792 54.840 0.046 0.000 0.751 175 L CB -1.022 41.063 42.059 0.044 0.000 0.889 175 L HN 0.284 nan 8.230 nan 0.000 0.432 176 Q N -0.770 119.113 119.800 0.140 0.000 2.084 176 Q HA -0.212 4.125 4.340 -0.005 0.000 0.202 176 Q C 2.267 178.465 176.000 0.330 0.000 0.978 176 Q CA 1.605 57.553 55.803 0.242 0.000 0.844 176 Q CB -0.264 28.677 28.738 0.337 0.000 0.898 176 Q HN 0.548 nan 8.270 nan 0.000 0.426 177 R N 0.439 121.077 120.500 0.231 0.000 2.113 177 R HA -0.197 4.140 4.340 -0.005 0.000 0.244 177 R C 2.373 178.765 176.300 0.152 0.000 1.142 177 R CA 1.650 57.856 56.100 0.177 0.000 0.953 177 R CB -0.328 30.007 30.300 0.058 0.000 0.860 177 R HN 0.194 nan 8.270 nan 0.000 0.438 178 R N 0.504 121.062 120.500 0.096 0.000 2.055 178 R HA -0.096 4.241 4.340 -0.005 0.000 0.228 178 R C 2.299 178.634 176.300 0.058 0.000 1.143 178 R CA 1.803 57.938 56.100 0.058 0.000 0.945 178 R CB 0.026 30.341 30.300 0.025 0.000 0.841 178 R HN 0.272 nan 8.270 nan 0.000 0.429 179 V N -2.417 117.531 119.914 0.056 0.000 3.263 179 V HA 0.099 4.216 4.120 -0.005 0.000 0.248 179 V C 1.688 177.778 176.094 -0.005 0.000 1.145 179 V CA 0.467 62.780 62.300 0.022 0.000 1.107 179 V CB 0.681 32.510 31.823 0.010 0.000 0.797 179 V HN 0.075 nan 8.190 nan 0.000 0.467 180 V N -0.297 119.620 119.914 0.005 0.000 2.426 180 V HA 0.138 4.255 4.120 -0.005 0.000 0.242 180 V C 2.213 178.108 176.094 -0.332 0.000 1.036 180 V CA 2.061 64.250 62.300 -0.185 0.000 1.044 180 V CB -0.634 31.056 31.823 -0.222 0.000 0.688 180 V HN 0.499 nan 8.190 nan 0.000 0.462 181 F N -0.643 119.331 119.950 0.040 0.000 2.678 181 F HA 0.368 4.892 4.527 -0.006 0.000 0.291 181 F C 1.303 177.120 175.800 0.028 0.000 1.123 181 F CA -0.318 57.706 58.000 0.040 0.000 1.395 181 F CB -0.071 38.962 39.000 0.055 0.000 1.121 181 F HN -0.082 nan 8.300 nan 0.000 0.592 182 R N 0.147 120.750 120.500 0.172 0.000 3.416 182 R HA -0.136 4.201 4.340 -0.005 0.000 0.263 182 R C -0.504 175.857 176.300 0.102 0.000 1.053 182 R CA 0.397 56.557 56.100 0.099 0.000 0.705 182 R CB -2.079 28.255 30.300 0.056 0.000 1.124 182 R HN 0.240 nan 8.270 nan 0.000 0.444 183 A N 0.856 123.749 122.820 0.123 0.000 2.435 183 A HA 0.588 4.905 4.320 -0.005 0.000 0.304 183 A C 0.067 177.676 177.584 0.041 0.000 1.064 183 A CA -0.723 51.368 52.037 0.090 0.000 0.727 183 A CB 1.099 20.170 19.000 0.119 0.000 1.284 183 A HN 0.376 nan 8.150 nan 0.000 0.415 184 N N 0.793 119.501 118.700 0.013 0.000 2.366 184 N HA 0.257 4.995 4.740 -0.005 0.000 0.277 184 N C 0.747 176.232 175.510 -0.043 0.000 1.275 184 N CA -0.416 52.617 53.050 -0.028 0.000 0.964 184 N CB 0.327 38.797 38.487 -0.028 0.000 1.167 184 N HN 0.599 nan 8.380 nan 0.000 0.568 185 R N -1.076 119.351 120.500 -0.122 0.000 2.083 185 R HA -0.145 4.192 4.340 -0.005 0.000 0.237 185 R C 1.963 178.315 176.300 0.088 0.000 1.137 185 R CA 1.867 57.869 56.100 -0.163 0.000 0.951 185 R CB -0.871 29.222 30.300 -0.344 0.000 0.851 185 R HN 0.746 nan 8.270 nan 0.000 0.434 186 A N 1.308 124.158 122.820 0.050 0.000 1.877 186 A HA -0.215 4.103 4.320 -0.005 0.000 0.216 186 A C 1.946 179.565 177.584 0.058 0.000 1.186 186 A CA 1.541 53.617 52.037 0.066 0.000 0.620 186 A CB -0.417 18.604 19.000 0.035 0.000 0.822 186 A HN 0.348 nan 8.150 nan 0.000 0.443 187 E N -0.483 119.741 120.200 0.041 0.000 2.058 187 E HA -0.154 4.193 4.350 -0.005 0.000 0.194 187 E C 1.940 178.559 176.600 0.031 0.000 0.997 187 E CA 1.479 57.899 56.400 0.033 0.000 0.801 187 E CB -0.330 29.391 29.700 0.034 0.000 0.746 187 E HN 0.360 nan 8.360 nan 0.000 0.450 188 V N 1.099 121.041 119.914 0.045 0.000 2.515 188 V HA -0.273 3.844 4.120 -0.005 0.000 0.250 188 V C 2.425 178.559 176.094 0.067 0.000 1.058 188 V CA 1.917 64.237 62.300 0.032 0.000 1.064 188 V CB -0.417 31.437 31.823 0.051 0.000 0.675 188 V HN 0.288 nan 8.190 nan 0.000 0.461 189 Q N -0.160 119.710 119.800 0.116 0.000 2.119 189 Q HA -0.166 4.171 4.340 -0.005 0.000 0.201 189 Q C 2.247 178.241 176.000 -0.010 0.000 0.972 189 Q CA 1.733 57.554 55.803 0.029 0.000 0.847 189 Q CB -0.244 28.530 28.738 0.060 0.000 0.903 189 Q HN 0.635 nan 8.270 nan 0.000 0.433 190 A N 0.691 123.517 122.820 0.010 0.000 1.933 190 A HA -0.160 4.157 4.320 -0.005 0.000 0.218 190 A C 1.962 179.539 177.584 -0.012 0.000 1.175 190 A CA 1.215 53.249 52.037 -0.006 0.000 0.628 190 A CB -0.670 18.331 19.000 0.003 0.000 0.814 190 A HN 0.480 nan 8.150 nan 0.000 0.444 191 I N -0.044 120.523 120.570 -0.005 0.000 2.145 191 I HA -0.376 3.791 4.170 -0.005 0.000 0.244 191 I C 2.968 179.097 176.117 0.019 0.000 1.075 191 I CA 1.443 62.743 61.300 -0.000 0.000 1.332 191 I CB -0.378 37.607 38.000 -0.026 0.000 1.033 191 I HN 0.372 nan 8.210 nan 0.000 0.410 192 A N 0.608 123.437 122.820 0.016 0.000 1.873 192 A HA -0.216 4.101 4.320 -0.005 0.000 0.215 192 A C 2.450 180.021 177.584 -0.023 0.000 1.186 192 A CA 2.433 54.483 52.037 0.021 0.000 0.616 192 A CB -1.252 17.650 19.000 -0.163 0.000 0.823 192 A HN 0.536 nan 8.150 nan 0.000 0.442 193 T N -2.794 111.716 114.554 -0.074 0.000 2.951 193 T HA -0.095 4.252 4.350 -0.005 0.000 0.268 193 T C 1.266 175.914 174.700 -0.087 0.000 1.073 193 T CA 1.422 63.475 62.100 -0.078 0.000 1.134 193 T CB -0.342 68.483 68.868 -0.072 0.000 0.884 193 T HN 0.316 nan 8.240 nan 0.000 0.479 194 D N 1.640 121.996 120.400 -0.072 0.000 2.178 194 D HA 0.058 4.695 4.640 -0.005 0.000 0.202 194 D C 2.383 178.597 176.300 -0.143 0.000 0.974 194 D CA 1.222 55.169 54.000 -0.089 0.000 0.841 194 D CB -0.828 39.938 40.800 -0.056 0.000 0.953 194 D HN 0.567 nan 8.370 nan 0.000 0.478 195 G N 1.064 109.777 108.800 -0.145 0.000 2.459 195 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.217 195 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.217 195 G C 1.746 176.277 174.900 -0.616 0.000 1.183 195 G CA 1.448 46.378 45.100 -0.284 0.000 0.776 195 G HN 0.383 nan 8.290 nan 0.000 0.552 196 A N 0.590 123.065 122.820 -0.575 0.000 1.883 196 A HA -0.072 4.245 4.320 -0.005 0.000 0.217 196 A C 2.425 179.762 177.584 -0.412 0.000 1.186 196 A CA 1.898 53.603 52.037 -0.553 0.000 0.624 196 A CB -0.485 18.445 19.000 -0.117 0.000 0.822 196 A HN 0.360 nan 8.150 nan 0.000 0.444 197 R N -0.878 119.462 120.500 -0.268 0.000 2.083 197 R HA -0.170 4.167 4.340 -0.005 0.000 0.237 197 R C 2.346 178.501 176.300 -0.243 0.000 1.137 197 R CA 1.758 57.731 56.100 -0.212 0.000 0.951 197 R CB -0.213 30.003 30.300 -0.141 0.000 0.851 197 R HN 0.414 nan 8.270 nan 0.000 0.434 198 K N 0.596 120.844 120.400 -0.252 0.000 2.063 198 K HA -0.139 4.178 4.320 -0.005 0.000 0.208 198 K C 1.861 178.262 176.600 -0.331 0.000 1.048 198 K CA 1.653 57.791 56.287 -0.247 0.000 0.928 198 K CB -0.705 31.676 32.500 -0.198 0.000 0.713 198 K HN 0.173 nan 8.250 nan 0.000 0.442 199 C N -0.655 118.404 119.300 -0.401 0.000 2.429 199 C HA -0.039 4.418 4.460 -0.005 0.000 0.277 199 C C 2.584 177.330 174.990 -0.407 0.000 1.262 199 C CA 0.890 59.681 59.018 -0.377 0.000 1.733 199 C CB -0.654 26.709 27.740 -0.629 0.000 2.010 199 C HN 0.319 nan 8.230 nan 0.000 0.483 200 V N 0.647 120.312 119.914 -0.414 0.000 2.427 200 V HA -0.189 3.928 4.120 -0.005 0.000 0.248 200 V C 2.602 178.577 176.094 -0.198 0.000 1.051 200 V CA 2.018 64.160 62.300 -0.264 0.000 1.048 200 V CB -0.699 30.996 31.823 -0.214 0.000 0.666 200 V HN 0.586 nan 8.190 nan 0.000 0.456 201 E N -0.082 119.977 120.200 -0.235 0.000 2.031 201 E HA -0.252 4.095 4.350 -0.005 0.000 0.193 201 E C 2.283 178.717 176.600 -0.277 0.000 0.994 201 E CA 1.428 57.703 56.400 -0.207 0.000 0.800 201 E CB -0.071 29.515 29.700 -0.190 0.000 0.752 201 E HN 0.532 nan 8.360 nan 0.000 0.447 202 Q N -0.177 119.324 119.800 -0.498 0.000 2.124 202 Q HA -0.090 4.247 4.340 -0.005 0.000 0.202 202 Q C 2.030 177.600 176.000 -0.716 0.000 0.977 202 Q CA 1.255 56.596 55.803 -0.769 0.000 0.850 202 Q CB -0.364 27.442 28.738 -1.554 0.000 0.901 202 Q HN 0.338 nan 8.270 nan 0.000 0.429 203 A N 0.899 123.341 122.820 -0.629 0.000 1.930 203 A HA -0.023 4.295 4.320 -0.005 0.000 0.217 203 A C 2.307 179.939 177.584 0.080 0.000 1.175 203 A CA 1.612 53.483 52.037 -0.277 0.000 0.627 203 A CB -0.510 18.556 19.000 0.109 0.000 0.815 203 A HN 0.347 nan 8.150 nan 0.000 0.443 204 A N -0.370 122.463 122.820 0.022 0.000 1.930 204 A HA 0.078 4.395 4.320 -0.005 0.000 0.217 204 A C 2.273 179.888 177.584 0.051 0.000 1.175 204 A CA 2.341 54.415 52.037 0.063 0.000 0.627 204 A CB -0.792 18.216 19.000 0.013 0.000 0.815 204 A HN 0.692 nan 8.150 nan 0.000 0.443 205 K N -1.501 118.894 120.400 -0.008 0.000 2.555 205 K HA 0.089 4.406 4.320 -0.005 0.000 0.193 205 K C -0.114 176.408 176.600 -0.131 0.000 1.032 205 K CA 0.814 57.051 56.287 -0.084 0.000 1.004 205 K CB -0.727 31.683 32.500 -0.150 0.000 0.804 205 K HN 0.633 nan 8.250 nan 0.000 0.496 206 Y N 0.930 121.324 120.300 0.157 0.000 2.594 206 Y HA 0.272 4.819 4.550 -0.005 0.000 0.338 206 Y C -2.443 173.717 175.900 0.434 0.000 1.019 206 Y CA -3.057 55.255 58.100 0.353 0.000 1.306 206 Y CB 1.868 40.688 38.460 0.600 0.000 1.094 206 Y HN 0.030 nan 8.280 nan 0.000 0.534 207 P HA 0.305 nan 4.420 nan 0.000 0.276 207 P C 0.878 178.288 177.300 0.184 0.000 1.252 207 P CA 0.738 63.981 63.100 0.238 0.000 0.802 207 P CB 1.867 33.644 31.700 0.128 0.000 1.035 208 G N 0.649 109.512 108.800 0.105 0.000 2.550 208 G HA2 -0.250 3.707 3.960 -0.005 0.000 0.233 208 G HA3 -0.250 3.707 3.960 -0.005 0.000 0.233 208 G C 0.339 175.189 174.900 -0.083 0.000 1.170 208 G CA 0.507 45.618 45.100 0.019 0.000 0.693 208 G HN 0.715 nan 8.290 nan 0.000 0.512 209 T N 3.371 117.822 114.554 -0.172 0.000 2.866 209 T HA 0.343 4.690 4.350 -0.005 0.000 0.293 209 T C 0.312 174.641 174.700 -0.618 0.000 1.005 209 T CA 0.455 62.231 62.100 -0.541 0.000 1.162 209 T CB 0.941 69.172 68.868 -1.061 0.000 0.968 209 T HN 0.312 nan 8.240 nan 0.000 0.530 210 Q N 3.020 122.533 119.800 -0.479 0.000 2.452 210 Q HA 0.103 4.440 4.340 -0.005 0.000 0.230 210 Q C -0.623 175.164 176.000 -0.355 0.000 1.180 210 Q CA 0.074 55.696 55.803 -0.301 0.000 0.914 210 Q CB 0.079 28.708 28.738 -0.181 0.000 1.408 210 Q HN 0.631 nan 8.270 nan 0.000 0.520 211 W N 2.883 124.144 121.300 -0.065 0.000 2.266 211 W HA 0.234 4.891 4.660 -0.005 0.000 0.317 211 W C 0.949 177.233 176.519 -0.392 0.000 1.310 211 W CA -0.405 56.804 57.345 -0.228 0.000 1.207 211 W CB 0.884 30.292 29.460 -0.086 0.000 1.199 211 W HN 0.061 nan 8.180 nan 0.000 0.544 212 R N 2.771 123.079 120.500 -0.320 0.000 2.686 212 R HA 0.520 4.857 4.340 -0.005 0.000 0.286 212 R C -1.435 174.519 176.300 -0.577 0.000 0.969 212 R CA -1.258 54.647 56.100 -0.326 0.000 0.898 212 R CB 1.838 32.052 30.300 -0.143 0.000 1.183 212 R HN 0.392 nan 8.270 nan 0.000 0.456 213 F N 0.348 120.397 119.950 0.165 0.000 2.522 213 F HA 0.410 4.934 4.527 -0.005 0.000 0.324 213 F C 0.470 176.323 175.800 0.089 0.000 1.077 213 F CA -0.731 57.400 58.000 0.218 0.000 0.944 213 F CB 2.018 41.230 39.000 0.355 0.000 1.175 213 F HN 0.355 nan 8.300 nan 0.000 0.468 214 E N 2.038 122.396 120.200 0.263 0.000 2.246 214 E HA 0.301 4.648 4.350 -0.005 0.000 0.266 214 E C -2.222 174.337 176.600 -0.069 0.000 0.880 214 E CA -0.778 55.619 56.400 -0.005 0.000 0.762 214 E CB 1.758 31.333 29.700 -0.209 0.000 1.180 214 E HN 0.617 nan 8.360 nan 0.000 0.416 215 Y N 2.839 123.012 120.300 -0.213 0.000 2.335 215 Y HA 0.477 5.023 4.550 -0.005 0.000 0.338 215 Y C -1.301 174.589 175.900 -0.017 0.000 0.977 215 Y CA -0.694 57.205 58.100 -0.336 0.000 1.114 215 Y CB 1.831 40.131 38.460 -0.266 0.000 1.182 215 Y HN 0.404 nan 8.280 nan 0.000 0.463 216 S N 8.699 123.887 115.700 -0.853 0.000 2.433 216 S HA 0.360 4.827 4.470 -0.005 0.000 0.310 216 S C -2.860 171.166 174.600 -0.955 0.000 1.097 216 S CA -1.493 56.310 58.200 -0.661 0.000 1.103 216 S CB 1.171 64.283 63.200 -0.147 0.000 0.992 216 S HN 0.480 nan 8.310 nan 0.000 0.469 217 P HA 0.081 nan 4.420 nan 0.000 0.268 217 P C -0.104 177.210 177.300 0.023 0.000 1.485 217 P CA -0.152 62.869 63.100 -0.132 0.000 1.102 217 P CB 0.170 31.916 31.700 0.077 0.000 1.501 218 E N 2.648 122.880 120.200 0.053 0.000 2.392 218 E HA 0.022 4.369 4.350 -0.005 0.000 0.264 218 E C 0.040 176.732 176.600 0.153 0.000 1.024 218 E CA 0.310 56.766 56.400 0.094 0.000 0.903 218 E CB 0.276 30.078 29.700 0.170 0.000 0.963 218 E HN 0.345 nan 8.360 nan 0.000 0.432 219 S N 2.470 118.261 115.700 0.152 0.000 3.698 219 S HA -0.263 4.204 4.470 -0.005 0.000 0.338 219 S C 0.449 175.178 174.600 0.215 0.000 1.089 219 S CA 0.958 59.259 58.200 0.168 0.000 0.991 219 S CB -2.159 61.129 63.200 0.147 0.000 0.909 219 S HN 0.719 nan 8.310 nan 0.000 0.485 220 Y N 2.531 122.899 120.300 0.112 0.000 2.151 220 Y HA -0.287 4.261 4.550 -0.002 0.000 0.284 220 Y C 2.366 178.373 175.900 0.178 0.000 1.166 220 Y CA 2.532 60.709 58.100 0.128 0.000 1.163 220 Y CB -0.889 37.645 38.460 0.123 0.000 0.974 220 Y HN 0.608 nan 8.280 nan 0.000 0.511 221 T N -2.877 111.735 114.554 0.096 0.000 2.977 221 T HA -0.059 4.288 4.350 -0.005 0.000 0.271 221 T C 1.763 176.549 174.700 0.142 0.000 1.105 221 T CA 1.011 63.145 62.100 0.058 0.000 1.116 221 T CB -0.865 68.135 68.868 0.219 0.000 0.878 221 T HN 0.463 nan 8.240 nan 0.000 0.509 222 G N 0.719 109.575 108.800 0.094 0.000 3.523 222 G HA2 0.388 4.345 3.960 -0.005 0.000 0.270 222 G HA3 0.388 4.345 3.960 -0.005 0.000 0.270 222 G C -0.078 174.822 174.900 -0.001 0.000 1.134 222 G CA -0.431 44.700 45.100 0.051 0.000 0.825 222 G HN 0.483 nan 8.290 nan 0.000 0.534 223 T N 0.903 115.445 114.554 -0.020 0.000 2.829 223 T HA 0.380 4.727 4.350 -0.005 0.000 0.280 223 T C -0.540 174.135 174.700 -0.042 0.000 0.999 223 T CA -0.597 61.519 62.100 0.027 0.000 0.983 223 T CB 2.173 71.106 68.868 0.109 0.000 0.968 223 T HN 0.186 nan 8.240 nan 0.000 0.446 224 E N 2.351 122.554 120.200 0.005 0.000 2.585 224 E HA 0.008 4.355 4.350 -0.005 0.000 0.252 224 E C 1.065 177.659 176.600 -0.010 0.000 0.981 224 E CA 0.001 56.385 56.400 -0.026 0.000 0.943 224 E CB 0.147 29.853 29.700 0.011 0.000 0.923 224 E HN 0.499 nan 8.360 nan 0.000 0.486 225 L N 2.830 123.962 121.223 -0.152 0.000 1.990 225 L HA -0.309 4.028 4.340 -0.005 0.000 0.213 225 L C 2.708 179.568 176.870 -0.016 0.000 1.072 225 L CA 2.136 56.876 54.840 -0.166 0.000 0.755 225 L CB -0.970 40.757 42.059 -0.554 0.000 0.889 225 L HN 0.805 nan 8.230 nan 0.000 0.432 226 E N -0.364 119.787 120.200 -0.082 0.000 2.130 226 E HA -0.336 4.011 4.350 -0.005 0.000 0.196 226 E C 1.893 178.624 176.600 0.218 0.000 0.998 226 E CA 1.940 58.440 56.400 0.167 0.000 0.806 226 E CB -1.301 28.471 29.700 0.119 0.000 0.738 226 E HN 0.713 nan 8.360 nan 0.000 0.459 227 Y N 0.176 120.502 120.300 0.043 0.000 2.220 227 Y HA 0.110 4.658 4.550 -0.004 0.000 0.291 227 Y C 2.846 178.792 175.900 0.076 0.000 1.129 227 Y CA 1.452 59.579 58.100 0.046 0.000 1.161 227 Y CB -0.180 38.291 38.460 0.018 0.000 0.997 227 Y HN 0.336 nan 8.280 nan 0.000 0.522 228 A N 0.849 123.674 122.820 0.009 0.000 1.877 228 A HA -0.221 4.096 4.320 -0.005 0.000 0.216 228 A C 2.267 179.828 177.584 -0.039 0.000 1.186 228 A CA 1.886 53.910 52.037 -0.022 0.000 0.620 228 A CB -0.790 18.352 19.000 0.237 0.000 0.822 228 A HN 0.495 nan 8.150 nan 0.000 0.443 229 K N -0.361 120.096 120.400 0.096 0.000 2.044 229 K HA -0.266 4.051 4.320 -0.005 0.000 0.210 229 K C 2.218 178.790 176.600 -0.047 0.000 1.049 229 K CA 2.057 58.384 56.287 0.066 0.000 0.927 229 K CB -0.282 32.365 32.500 0.246 0.000 0.713 229 K HN 0.657 nan 8.250 nan 0.000 0.443 230 Q N 0.059 119.847 119.800 -0.021 0.000 2.061 230 Q HA -0.154 4.183 4.340 -0.005 0.000 0.204 230 Q C 2.187 178.092 176.000 -0.158 0.000 0.984 230 Q CA 1.942 57.715 55.803 -0.051 0.000 0.846 230 Q CB -0.065 28.694 28.738 0.034 0.000 0.902 230 Q HN 0.166 nan 8.270 nan 0.000 0.421 231 V N 0.045 119.780 119.914 -0.298 0.000 2.295 231 V HA -0.332 3.785 4.120 -0.005 0.000 0.246 231 V C 2.396 178.299 176.094 -0.320 0.000 1.049 231 V CA 1.551 63.656 62.300 -0.325 0.000 1.024 231 V CB -0.723 30.853 31.823 -0.413 0.000 0.648 231 V HN 0.525 nan 8.190 nan 0.000 0.447 232 C N 0.363 119.452 119.300 -0.351 0.000 2.386 232 C HA -0.212 4.245 4.460 -0.005 0.000 0.279 232 C C 2.632 177.297 174.990 -0.541 0.000 1.208 232 C CA 1.351 59.938 59.018 -0.718 0.000 1.747 232 C CB -1.183 25.923 27.740 -1.056 0.000 2.046 232 C HN 0.613 nan 8.230 nan 0.000 0.453 233 D N 0.693 120.918 120.400 -0.292 0.000 2.133 233 D HA -0.148 4.489 4.640 -0.005 0.000 0.192 233 D C 2.221 178.508 176.300 -0.023 0.000 1.001 233 D CA 1.966 55.923 54.000 -0.072 0.000 0.844 233 D CB -0.614 40.163 40.800 -0.038 0.000 0.944 233 D HN 0.552 nan 8.370 nan 0.000 0.447 234 A N 0.297 123.071 122.820 -0.076 0.000 1.930 234 A HA -0.103 4.214 4.320 -0.005 0.000 0.217 234 A C 2.524 180.081 177.584 -0.045 0.000 1.175 234 A CA 1.050 53.054 52.037 -0.055 0.000 0.627 234 A CB -0.570 18.385 19.000 -0.075 0.000 0.815 234 A HN 0.164 nan 8.150 nan 0.000 0.443 235 V N -0.185 119.679 119.914 -0.084 0.000 2.358 235 V HA -0.142 3.975 4.120 -0.005 0.000 0.246 235 V C 2.802 178.989 176.094 0.154 0.000 1.047 235 V CA 1.834 64.121 62.300 -0.022 0.000 1.035 235 V CB -1.280 30.412 31.823 -0.219 0.000 0.658 235 V HN 0.602 nan 8.190 nan 0.000 0.452 236 G N -0.421 108.551 108.800 0.287 0.000 2.442 236 G HA2 -0.219 3.738 3.960 -0.005 0.000 0.219 236 G HA3 -0.219 3.738 3.960 -0.005 0.000 0.219 236 G C 1.448 176.429 174.900 0.134 0.000 1.141 236 G CA 0.629 45.905 45.100 0.293 0.000 0.763 236 G HN 0.479 nan 8.290 nan 0.000 0.554 237 E N 0.381 120.633 120.200 0.087 0.000 2.110 237 E HA -0.088 4.259 4.350 -0.005 0.000 0.193 237 E C 2.828 179.441 176.600 0.022 0.000 0.988 237 E CA 0.749 57.175 56.400 0.044 0.000 0.804 237 E CB -0.420 29.295 29.700 0.025 0.000 0.745 237 E HN 0.360 nan 8.360 nan 0.000 0.458 238 V N 1.789 121.709 119.914 0.010 0.000 2.270 238 V HA -0.218 3.899 4.120 -0.005 0.000 0.245 238 V C 2.387 178.459 176.094 -0.038 0.000 1.043 238 V CA 1.211 63.495 62.300 -0.027 0.000 1.014 238 V CB -0.371 31.417 31.823 -0.057 0.000 0.645 238 V HN 0.190 nan 8.190 nan 0.000 0.447 239 I N 0.352 120.912 120.570 -0.017 0.000 2.286 239 I HA -0.082 4.086 4.170 -0.005 0.000 0.248 239 I C 1.526 177.664 176.117 0.035 0.000 1.115 239 I CA 1.336 62.621 61.300 -0.025 0.000 1.392 239 I CB -1.718 36.310 38.000 0.047 0.000 1.065 239 I HN 0.448 nan 8.210 nan 0.000 0.418 240 A N 1.325 124.174 122.820 0.049 0.000 2.303 240 A HA -0.129 4.188 4.320 -0.005 0.000 0.286 240 A C -1.675 175.951 177.584 0.070 0.000 1.429 240 A CA -0.001 52.069 52.037 0.055 0.000 0.738 240 A CB -2.202 16.824 19.000 0.042 0.000 1.149 240 A HN 0.361 nan 8.150 nan 0.000 0.364 241 P HA 0.505 nan 4.420 nan 0.000 0.274 241 P C 0.237 177.564 177.300 0.045 0.000 1.246 241 P CA 0.625 63.762 63.100 0.062 0.000 0.795 241 P CB 1.030 32.743 31.700 0.022 0.000 1.006 242 T N -3.566 111.013 114.554 0.040 0.000 2.930 242 T HA 0.422 4.769 4.350 -0.005 0.000 0.290 242 T C -2.225 172.485 174.700 0.017 0.000 1.052 242 T CA -2.217 59.900 62.100 0.029 0.000 1.017 242 T CB 1.194 70.082 68.868 0.034 0.000 1.137 242 T HN 0.039 nan 8.240 nan 0.000 0.511 243 P HA -0.070 nan 4.420 nan 0.000 0.218 243 P C 0.944 178.245 177.300 0.003 0.000 1.146 243 P CA 1.065 64.168 63.100 0.004 0.000 0.813 243 P CB 0.121 31.823 31.700 0.004 0.000 0.778 244 E N -1.042 119.164 120.200 0.010 0.000 2.122 244 E HA 0.011 4.358 4.350 -0.005 0.000 0.190 244 E C 0.873 177.480 176.600 0.011 0.000 0.977 244 E CA 0.857 57.263 56.400 0.009 0.000 0.820 244 E CB -0.112 29.596 29.700 0.014 0.000 0.770 244 E HN 0.176 nan 8.360 nan 0.000 0.462 245 R N 1.046 121.559 120.500 0.022 0.000 2.748 245 R HA 0.249 4.586 4.340 -0.005 0.000 0.283 245 R C -2.473 173.849 176.300 0.037 0.000 1.507 245 R CA -1.363 54.758 56.100 0.035 0.000 1.666 245 R CB 1.194 31.531 30.300 0.061 0.000 1.237 245 R HN 0.146 nan 8.270 nan 0.000 0.633 246 P HA 0.114 nan 4.420 nan 0.000 0.274 246 P C -0.010 177.271 177.300 -0.033 0.000 1.246 246 P CA -0.341 62.746 63.100 -0.021 0.000 0.795 246 P CB 1.407 33.083 31.700 -0.042 0.000 1.006 247 I N 0.964 121.469 120.570 -0.108 0.000 2.577 247 I HA 0.278 4.446 4.170 -0.005 0.000 0.300 247 I C 0.052 175.971 176.117 -0.330 0.000 0.990 247 I CA -1.188 59.991 61.300 -0.202 0.000 1.283 247 I CB 0.578 38.379 38.000 -0.333 0.000 1.411 247 I HN 0.159 nan 8.210 nan 0.000 0.515 248 I N 7.103 127.505 120.570 -0.280 0.000 2.315 248 I HA 0.224 4.391 4.170 -0.005 0.000 0.291 248 I C -0.966 174.961 176.117 -0.318 0.000 1.006 248 I CA -0.206 60.941 61.300 -0.255 0.000 1.265 248 I CB 0.545 38.449 38.000 -0.161 0.000 1.387 248 I HN 0.375 nan 8.210 nan 0.000 0.475 249 F N 4.938 124.867 119.950 -0.036 0.000 2.361 249 F HA 0.287 4.812 4.527 -0.004 0.000 0.364 249 F C 0.408 176.127 175.800 -0.134 0.000 1.120 249 F CA -0.748 57.218 58.000 -0.058 0.000 1.102 249 F CB 0.981 39.976 39.000 -0.008 0.000 1.183 249 F HN 0.475 nan 8.300 nan 0.000 0.476 250 N N 4.897 123.594 118.700 -0.005 0.000 2.408 250 N HA 0.463 5.200 4.740 -0.005 0.000 0.280 250 N C -1.407 174.011 175.510 -0.154 0.000 1.002 250 N CA -0.386 52.596 53.050 -0.113 0.000 0.907 250 N CB 0.907 39.253 38.487 -0.234 0.000 1.161 250 N HN 0.573 nan 8.380 nan 0.000 0.488 251 L N 5.356 126.472 121.223 -0.177 0.000 2.408 251 L HA 0.483 4.820 4.340 -0.005 0.000 0.257 251 L C -2.257 174.544 176.870 -0.114 0.000 1.053 251 L CA -1.671 52.905 54.840 -0.441 0.000 0.922 251 L CB 1.447 42.980 42.059 -0.877 0.000 1.261 251 L HN 0.425 nan 8.230 nan 0.000 0.458 252 P HA 0.184 nan 4.420 nan 0.000 0.288 252 P C -0.407 177.146 177.300 0.423 0.000 1.267 252 P CA -0.513 62.753 63.100 0.277 0.000 0.815 252 P CB 1.974 33.767 31.700 0.156 0.000 0.989 253 A N 3.030 126.047 122.820 0.329 0.000 3.056 253 A HA 0.210 4.528 4.320 -0.005 0.000 0.274 253 A C 1.501 179.249 177.584 0.275 0.000 1.661 253 A CA -0.056 52.107 52.037 0.210 0.000 1.363 253 A CB -1.290 17.637 19.000 -0.123 0.000 1.139 253 A HN 0.512 nan 8.150 nan 0.000 0.598 254 T N -0.039 114.650 114.554 0.225 0.000 2.665 254 T HA -0.096 4.251 4.350 -0.005 0.000 0.268 254 T C 0.842 175.456 174.700 -0.145 0.000 1.035 254 T CA 1.636 63.755 62.100 0.032 0.000 1.151 254 T CB -0.165 68.720 68.868 0.029 0.000 0.862 254 T HN 0.280 nan 8.240 nan 0.000 0.438 255 V N 1.692 121.604 119.914 -0.003 0.000 2.459 255 V HA 0.271 4.388 4.120 -0.005 0.000 0.295 255 V C 0.015 176.138 176.094 0.048 0.000 1.029 255 V CA -1.188 61.112 62.300 0.001 0.000 0.874 255 V CB 1.707 33.547 31.823 0.027 0.000 0.985 255 V HN 0.332 nan 8.190 nan 0.000 0.438 256 E N 4.175 124.392 120.200 0.028 0.000 2.159 256 E HA 0.133 4.481 4.350 -0.005 0.000 0.272 256 E C 0.551 177.149 176.600 -0.002 0.000 1.138 256 E CA 0.036 56.427 56.400 -0.016 0.000 0.915 256 E CB 0.570 30.245 29.700 -0.042 0.000 1.028 256 E HN 0.668 nan 8.360 nan 0.000 0.423 257 M N 2.677 122.278 119.600 0.000 0.000 2.567 257 M HA 0.093 4.570 4.480 -0.005 0.000 0.261 257 M C 0.942 177.232 176.300 -0.017 0.000 1.180 257 M CA 0.371 55.712 55.300 0.068 0.000 1.143 257 M CB 0.929 33.679 32.600 0.250 0.000 1.319 257 M HN 0.447 nan 8.290 nan 0.000 0.490 258 T N -0.507 113.930 114.554 -0.195 0.000 2.626 258 T HA 0.275 4.622 4.350 -0.005 0.000 0.299 258 T C -0.815 173.781 174.700 -0.173 0.000 1.181 258 T CA -0.510 61.451 62.100 -0.232 0.000 1.053 258 T CB 1.151 69.702 68.868 -0.528 0.000 1.566 258 T HN 0.280 nan 8.240 nan 0.000 0.486 259 T N 1.599 116.072 114.554 -0.133 0.000 2.898 259 T HA 0.334 4.681 4.350 -0.005 0.000 0.301 259 T C -1.629 173.025 174.700 -0.076 0.000 1.049 259 T CA -0.995 61.061 62.100 -0.073 0.000 1.095 259 T CB 0.617 69.471 68.868 -0.024 0.000 0.976 259 T HN 0.432 nan 8.240 nan 0.000 0.539 260 P HA -0.136 nan 4.420 nan 0.000 0.220 260 P C 1.361 178.590 177.300 -0.119 0.000 1.148 260 P CA 1.009 64.073 63.100 -0.060 0.000 0.803 260 P CB -0.073 31.590 31.700 -0.061 0.000 0.782 261 N N 0.505 119.146 118.700 -0.098 0.000 2.223 261 N HA -0.092 4.646 4.740 -0.005 0.000 0.185 261 N C 1.580 177.083 175.510 -0.012 0.000 1.016 261 N CA 1.235 54.233 53.050 -0.087 0.000 0.863 261 N CB -1.479 37.188 38.487 0.299 0.000 0.983 261 N HN 0.071 nan 8.380 nan 0.000 0.429 262 V N 0.492 120.399 119.914 -0.012 0.000 2.407 262 V HA -0.174 3.943 4.120 -0.005 0.000 0.245 262 V C 2.263 178.330 176.094 -0.046 0.000 1.041 262 V CA 1.187 63.469 62.300 -0.030 0.000 1.040 262 V CB -1.051 30.690 31.823 -0.136 0.000 0.671 262 V HN 0.147 nan 8.190 nan 0.000 0.455 263 Y N 1.877 122.062 120.300 -0.190 0.000 2.114 263 Y HA -0.344 4.202 4.550 -0.006 0.000 0.282 263 Y C 2.432 178.269 175.900 -0.105 0.000 1.165 263 Y CA 1.796 59.827 58.100 -0.116 0.000 1.148 263 Y CB -0.704 37.696 38.460 -0.100 0.000 0.972 263 Y HN 0.158 nan 8.280 nan 0.000 0.504 264 A N -0.222 122.441 122.820 -0.261 0.000 1.933 264 A HA -0.191 4.126 4.320 -0.005 0.000 0.218 264 A C 1.981 179.355 177.584 -0.351 0.000 1.175 264 A CA 1.922 53.619 52.037 -0.567 0.000 0.628 264 A CB -0.791 17.421 19.000 -1.313 0.000 0.814 264 A HN 0.548 nan 8.150 nan 0.000 0.444 265 D N -0.021 120.345 120.400 -0.057 0.000 2.117 265 D HA -0.135 4.503 4.640 -0.005 0.000 0.197 265 D C 2.525 178.929 176.300 0.175 0.000 0.987 265 D CA 1.780 55.926 54.000 0.244 0.000 0.829 265 D CB -0.320 40.640 40.800 0.267 0.000 0.961 265 D HN 0.583 nan 8.370 nan 0.000 0.460 266 S N 0.567 116.305 115.700 0.063 0.000 2.368 266 S HA -0.138 4.329 4.470 -0.005 0.000 0.225 266 S C 2.082 176.784 174.600 0.170 0.000 1.030 266 S CA 0.683 58.949 58.200 0.110 0.000 0.999 266 S CB -0.343 62.885 63.200 0.047 0.000 0.844 266 S HN 0.079 nan 8.310 nan 0.000 0.459 267 I N 2.443 122.986 120.570 -0.046 0.000 2.179 267 I HA -0.102 4.065 4.170 -0.005 0.000 0.242 267 I C 2.828 178.978 176.117 0.054 0.000 1.088 267 I CA 1.700 62.954 61.300 -0.076 0.000 1.357 267 I CB -1.691 36.151 38.000 -0.263 0.000 1.051 267 I HN 0.520 nan 8.210 nan 0.000 0.409 268 E N -0.129 120.129 120.200 0.096 0.000 2.085 268 E HA -0.293 4.054 4.350 -0.005 0.000 0.194 268 E C 2.308 179.014 176.600 0.177 0.000 0.994 268 E CA 1.675 58.172 56.400 0.161 0.000 0.801 268 E CB -0.283 29.585 29.700 0.281 0.000 0.743 268 E HN 0.488 nan 8.360 nan 0.000 0.453 269 W N 0.538 121.882 121.300 0.073 0.000 2.354 269 W HA -0.231 4.428 4.660 -0.001 0.000 0.315 269 W C 2.125 178.679 176.519 0.059 0.000 1.206 269 W CA 1.598 58.985 57.345 0.069 0.000 1.290 269 W CB -0.100 29.407 29.460 0.078 0.000 1.152 269 W HN 0.090 nan 8.180 nan 0.000 0.489 270 M N -0.233 119.608 119.600 0.402 0.000 2.080 270 M HA -0.239 4.238 4.480 -0.005 0.000 0.260 270 M C 2.340 178.645 176.300 0.008 0.000 1.068 270 M CA 2.112 57.536 55.300 0.208 0.000 1.109 270 M CB -2.040 30.701 32.600 0.235 0.000 1.342 270 M HN 0.125 nan 8.290 nan 0.000 0.405 271 S N -0.044 115.669 115.700 0.022 0.000 2.387 271 S HA -0.143 4.324 4.470 -0.005 0.000 0.230 271 S C 1.980 176.544 174.600 -0.060 0.000 1.035 271 S CA 1.293 59.491 58.200 -0.004 0.000 1.014 271 S CB -0.087 63.119 63.200 0.010 0.000 0.836 271 S HN 0.451 nan 8.310 nan 0.000 0.466 272 R N 0.102 120.526 120.500 -0.126 0.000 2.240 272 R HA 0.235 4.572 4.340 -0.005 0.000 0.203 272 R C 1.459 177.593 176.300 -0.278 0.000 1.011 272 R CA 0.693 56.682 56.100 -0.185 0.000 1.007 272 R CB -0.034 30.141 30.300 -0.207 0.000 0.911 272 R HN 0.452 nan 8.270 nan 0.000 0.468 273 N N -0.276 118.195 118.700 -0.383 0.000 2.239 273 N HA 0.111 4.848 4.740 -0.005 0.000 0.208 273 N C 0.005 175.368 175.510 -0.245 0.000 1.200 273 N CA -0.075 52.696 53.050 -0.466 0.000 0.895 273 N CB 0.968 38.807 38.487 -1.080 0.000 1.085 273 N HN 0.012 nan 8.380 nan 0.000 0.500 274 L N 1.839 122.978 121.223 -0.141 0.000 2.485 274 L HA 0.120 4.457 4.340 -0.005 0.000 0.275 274 L C 0.768 177.635 176.870 -0.005 0.000 1.207 274 L CA -0.333 54.486 54.840 -0.035 0.000 0.855 274 L CB 0.503 42.592 42.059 0.051 0.000 1.114 274 L HN 0.037 nan 8.230 nan 0.000 0.485 275 A N 2.807 125.642 122.820 0.024 0.000 2.351 275 A HA 0.213 4.530 4.320 -0.005 0.000 0.257 275 A C 0.818 178.445 177.584 0.072 0.000 1.087 275 A CA -0.047 52.011 52.037 0.035 0.000 0.798 275 A CB 0.138 19.160 19.000 0.036 0.000 1.033 275 A HN 0.930 nan 8.150 nan 0.000 0.488 276 N N -0.940 117.788 118.700 0.046 0.000 2.740 276 N HA -0.189 4.549 4.740 -0.005 0.000 0.248 276 N C 0.648 176.189 175.510 0.053 0.000 1.062 276 N CA 1.102 54.182 53.050 0.049 0.000 0.704 276 N CB -0.801 37.724 38.487 0.064 0.000 0.968 276 N HN 0.765 nan 8.380 nan 0.000 0.547 277 R N 1.058 121.581 120.500 0.038 0.000 2.139 277 R HA -0.083 4.254 4.340 -0.005 0.000 0.243 277 R C 1.787 178.098 176.300 0.018 0.000 1.145 277 R CA 2.333 58.454 56.100 0.034 0.000 0.976 277 R CB -0.326 29.980 30.300 0.010 0.000 0.866 277 R HN 0.682 nan 8.270 nan 0.000 0.449 278 E N -0.778 119.428 120.200 0.010 0.000 2.204 278 E HA -0.073 4.274 4.350 -0.005 0.000 0.194 278 E C 0.381 176.979 176.600 -0.002 0.000 0.989 278 E CA 1.229 57.630 56.400 0.002 0.000 0.824 278 E CB 0.079 29.780 29.700 0.002 0.000 0.756 278 E HN 0.301 nan 8.360 nan 0.000 0.477 279 S N 0.063 115.764 115.700 0.001 0.000 2.660 279 S HA 0.137 4.604 4.470 -0.005 0.000 0.227 279 S C -0.218 174.351 174.600 -0.052 0.000 0.948 279 S CA -0.256 57.936 58.200 -0.013 0.000 0.948 279 S CB 0.948 64.150 63.200 0.004 0.000 0.779 279 S HN -0.027 nan 8.310 nan 0.000 0.487 280 V N 2.326 122.212 119.914 -0.046 0.000 2.448 280 V HA 0.434 4.551 4.120 -0.005 0.000 0.295 280 V C -0.359 175.693 176.094 -0.070 0.000 1.025 280 V CA -0.738 61.501 62.300 -0.102 0.000 0.859 280 V CB 1.722 33.550 31.823 0.008 0.000 0.988 280 V HN 0.303 nan 8.190 nan 0.000 0.431 281 I N 5.567 126.070 120.570 -0.111 0.000 2.297 281 I HA 0.279 4.447 4.170 -0.005 0.000 0.291 281 I C -0.405 175.679 176.117 -0.054 0.000 1.033 281 I CA -0.432 60.826 61.300 -0.070 0.000 1.253 281 I CB 1.274 39.227 38.000 -0.078 0.000 1.396 281 I HN 0.397 nan 8.210 nan 0.000 0.476 282 L N 7.028 128.248 121.223 -0.005 0.000 2.281 282 L HA 0.363 4.700 4.340 -0.005 0.000 0.285 282 L C 0.124 176.997 176.870 0.006 0.000 1.074 282 L CA 0.623 55.477 54.840 0.023 0.000 0.817 282 L CB 1.160 43.245 42.059 0.044 0.000 1.168 282 L HN 0.560 nan 8.230 nan 0.000 0.434 283 S N 5.478 121.172 115.700 -0.010 0.000 2.503 283 S HA 0.748 5.216 4.470 -0.005 0.000 0.301 283 S C -0.813 173.788 174.600 0.001 0.000 1.087 283 S CA -0.760 57.428 58.200 -0.020 0.000 1.042 283 S CB 0.777 63.944 63.200 -0.054 0.000 1.043 283 S HN 0.562 nan 8.310 nan 0.000 0.489 284 L N 3.766 125.016 121.223 0.044 0.000 2.334 284 L HA 0.518 4.855 4.340 -0.005 0.000 0.276 284 L C -0.591 176.360 176.870 0.136 0.000 1.014 284 L CA -0.748 54.174 54.840 0.136 0.000 0.815 284 L CB 1.688 43.858 42.059 0.185 0.000 1.268 284 L HN 0.864 nan 8.230 nan 0.000 0.428 285 H N 2.700 121.808 119.070 0.063 0.000 2.429 285 H HA 0.357 4.910 4.556 -0.005 0.000 0.231 285 H C -2.684 172.603 175.328 -0.068 0.000 1.416 285 H CA -1.493 54.542 56.048 -0.022 0.000 1.443 285 H CB 0.943 30.695 29.762 -0.017 0.000 1.591 285 H HN 0.269 nan 8.280 nan 0.000 0.507 286 P HA 0.155 nan 4.420 nan 0.000 0.286 286 P C -0.325 176.775 177.300 -0.333 0.000 1.269 286 P CA -0.110 62.827 63.100 -0.273 0.000 0.787 286 P CB 0.978 32.485 31.700 -0.322 0.000 0.920 287 H N 1.744 120.738 119.070 -0.126 0.000 2.500 287 H HA 0.242 4.795 4.556 -0.005 0.000 0.351 287 H C 0.264 175.534 175.328 -0.097 0.000 1.281 287 H CA -0.210 55.787 56.048 -0.084 0.000 1.368 287 H CB 1.076 30.828 29.762 -0.017 0.000 1.616 287 H HN 0.310 nan 8.280 nan 0.000 0.591 288 N N 0.031 118.774 118.700 0.072 0.000 2.275 288 N HA 0.017 4.754 4.740 -0.005 0.000 0.236 288 N C -0.017 175.492 175.510 -0.000 0.000 1.154 288 N CA -0.076 52.973 53.050 -0.002 0.000 0.866 288 N CB 0.115 38.592 38.487 -0.016 0.000 1.093 288 N HN 0.464 nan 8.380 nan 0.000 0.515 289 D N -0.294 120.115 120.400 0.015 0.000 2.172 289 D HA -0.169 4.468 4.640 -0.005 0.000 0.196 289 D C 1.229 177.518 176.300 -0.019 0.000 0.999 289 D CA 1.218 55.217 54.000 -0.001 0.000 0.856 289 D CB 0.177 40.979 40.800 0.003 0.000 0.934 289 D HN 0.262 nan 8.370 nan 0.000 0.453 290 R N -0.868 119.615 120.500 -0.029 0.000 2.393 290 R HA 0.266 4.603 4.340 -0.005 0.000 0.244 290 R C 0.954 177.230 176.300 -0.041 0.000 0.920 290 R CA 0.399 56.477 56.100 -0.036 0.000 1.076 290 R CB 0.816 31.091 30.300 -0.042 0.000 1.119 290 R HN 0.196 nan 8.270 nan 0.000 0.524 291 G N 1.371 110.146 108.800 -0.042 0.000 2.143 291 G HA2 -0.297 3.660 3.960 -0.005 0.000 0.248 291 G HA3 -0.297 3.660 3.960 -0.005 0.000 0.248 291 G C 0.547 175.416 174.900 -0.051 0.000 0.991 291 G CA 0.891 45.963 45.100 -0.047 0.000 0.689 291 G HN 0.420 nan 8.290 nan 0.000 0.522 292 T N -3.822 110.697 114.554 -0.058 0.000 3.339 292 T HA 0.701 5.048 4.350 -0.005 0.000 0.292 292 T C 1.836 176.487 174.700 -0.082 0.000 1.012 292 T CA 0.953 63.016 62.100 -0.061 0.000 0.937 292 T CB 0.862 69.698 68.868 -0.055 0.000 1.164 292 T HN 1.262 nan 8.240 nan 0.000 0.509 293 A N 1.363 124.130 122.820 -0.088 0.000 1.902 293 A HA 0.068 4.385 4.320 -0.005 0.000 0.217 293 A C 2.274 179.804 177.584 -0.090 0.000 1.181 293 A CA 1.624 53.591 52.037 -0.116 0.000 0.623 293 A CB -0.962 17.971 19.000 -0.113 0.000 0.818 293 A HN 0.435 nan 8.150 nan 0.000 0.443 294 V N -0.115 119.767 119.914 -0.053 0.000 2.261 294 V HA -0.255 3.862 4.120 -0.005 0.000 0.246 294 V C 3.075 179.172 176.094 0.006 0.000 1.047 294 V CA 1.987 64.279 62.300 -0.013 0.000 1.015 294 V CB -1.381 30.442 31.823 0.000 0.000 0.642 294 V HN 0.630 nan 8.190 nan 0.000 0.446 295 A N 0.239 123.054 122.820 -0.007 0.000 1.873 295 A HA -0.219 4.098 4.320 -0.005 0.000 0.218 295 A C 2.477 180.053 177.584 -0.012 0.000 1.193 295 A CA 2.573 54.610 52.037 0.000 0.000 0.629 295 A CB -1.118 17.877 19.000 -0.008 0.000 0.826 295 A HN 0.624 nan 8.150 nan 0.000 0.447 296 A N -0.319 122.472 122.820 -0.048 0.000 1.927 296 A HA 0.018 4.336 4.320 -0.005 0.000 0.220 296 A C 2.506 180.152 177.584 0.102 0.000 1.185 296 A CA 2.638 54.661 52.037 -0.024 0.000 0.639 296 A CB -1.078 17.752 19.000 -0.285 0.000 0.820 296 A HN 1.215 nan 8.150 nan 0.000 0.451 297 A N -0.750 122.100 122.820 0.050 0.000 1.898 297 A HA -0.132 4.186 4.320 -0.005 0.000 0.216 297 A C 1.962 179.630 177.584 0.140 0.000 1.181 297 A CA 1.640 53.739 52.037 0.105 0.000 0.620 297 A CB -0.425 18.608 19.000 0.055 0.000 0.819 297 A HN 0.637 nan 8.150 nan 0.000 0.442 298 E N -0.355 119.915 120.200 0.117 0.000 2.112 298 E HA -0.010 4.337 4.350 -0.005 0.000 0.190 298 E C 1.940 178.623 176.600 0.138 0.000 0.979 298 E CA 0.679 57.178 56.400 0.164 0.000 0.814 298 E CB -0.132 29.649 29.700 0.136 0.000 0.762 298 E HN 0.603 nan 8.360 nan 0.000 0.460 299 L N -0.122 121.118 121.223 0.028 0.000 2.072 299 L HA -0.003 4.334 4.340 -0.005 0.000 0.205 299 L C 2.575 179.326 176.870 -0.198 0.000 1.079 299 L CA 1.075 55.831 54.840 -0.141 0.000 0.752 299 L CB -0.710 41.106 42.059 -0.405 0.000 0.906 299 L HN 0.225 nan 8.230 nan 0.000 0.436 300 G N -0.269 108.484 108.800 -0.078 0.000 2.450 300 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.220 300 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.220 300 G C 1.583 176.527 174.900 0.075 0.000 1.130 300 G CA 0.523 45.596 45.100 -0.045 0.000 0.760 300 G HN 0.318 nan 8.290 nan 0.000 0.557 301 F N 1.820 121.752 119.950 -0.029 0.000 2.113 301 F HA 0.115 4.639 4.527 -0.005 0.000 0.297 301 F C 2.847 178.648 175.800 0.002 0.000 1.103 301 F CA 1.060 59.046 58.000 -0.025 0.000 1.248 301 F CB 0.120 39.102 39.000 -0.031 0.000 0.999 301 F HN 0.228 nan 8.300 nan 0.000 0.475 302 A N 0.226 123.014 122.820 -0.053 0.000 2.076 302 A HA -0.097 4.220 4.320 -0.005 0.000 0.220 302 A C 2.092 179.695 177.584 0.032 0.000 1.160 302 A CA 1.423 53.425 52.037 -0.059 0.000 0.653 302 A CB -1.223 17.851 19.000 0.123 0.000 0.801 302 A HN 0.466 nan 8.150 nan 0.000 0.455 303 A N -2.102 120.746 122.820 0.046 0.000 2.208 303 A HA 0.415 4.732 4.320 -0.005 0.000 0.209 303 A C 1.691 179.291 177.584 0.027 0.000 1.161 303 A CA 1.282 53.376 52.037 0.095 0.000 0.782 303 A CB -0.591 18.382 19.000 -0.045 0.000 0.816 303 A HN 1.767 nan 8.150 nan 0.000 0.477 304 G N -2.394 106.379 108.800 -0.046 0.000 2.192 304 G HA2 0.197 4.154 3.960 -0.005 0.000 0.193 304 G HA3 0.197 4.154 3.960 -0.005 0.000 0.193 304 G C 0.442 175.342 174.900 -0.000 0.000 0.999 304 G CA 0.067 45.138 45.100 -0.048 0.000 0.659 304 G HN 1.428 nan 8.290 nan 0.000 0.503 305 A N 0.119 122.973 122.820 0.057 0.000 2.492 305 A HA 0.511 4.828 4.320 -0.005 0.000 0.236 305 A C 1.068 178.794 177.584 0.237 0.000 1.078 305 A CA 1.146 53.263 52.037 0.132 0.000 0.773 305 A CB 0.293 19.394 19.000 0.168 0.000 1.023 305 A HN 0.201 nan 8.150 nan 0.000 0.504 306 D N -0.625 119.865 120.400 0.151 0.000 2.454 306 D HA 0.146 4.783 4.640 -0.005 0.000 0.219 306 D C 0.648 176.948 176.300 -0.001 0.000 1.081 306 D CA 0.565 54.642 54.000 0.129 0.000 0.867 306 D CB 0.481 41.303 40.800 0.036 0.000 1.054 306 D HN 0.557 nan 8.370 nan 0.000 0.500 307 R N 0.251 120.712 120.500 -0.065 0.000 2.680 307 R HA 0.585 4.922 4.340 -0.005 0.000 0.269 307 R C -1.814 174.402 176.300 -0.141 0.000 1.026 307 R CA -0.502 55.501 56.100 -0.161 0.000 0.889 307 R CB 1.886 32.132 30.300 -0.090 0.000 1.241 307 R HN -0.183 nan 8.270 nan 0.000 0.463 308 I N 2.156 122.637 120.570 -0.148 0.000 2.534 308 I HA 0.289 4.456 4.170 -0.005 0.000 0.288 308 I C -0.732 175.419 176.117 0.057 0.000 1.077 308 I CA -0.669 60.608 61.300 -0.038 0.000 1.051 308 I CB 2.366 40.341 38.000 -0.042 0.000 1.234 308 I HN 0.493 nan 8.210 nan 0.000 0.425 309 E N 4.349 124.563 120.200 0.023 0.000 2.175 309 E HA 0.702 5.049 4.350 -0.005 0.000 0.278 309 E C -0.096 176.411 176.600 -0.154 0.000 0.969 309 E CA -0.516 55.885 56.400 0.003 0.000 0.796 309 E CB 2.405 32.182 29.700 0.128 0.000 1.104 309 E HN 0.811 nan 8.360 nan 0.000 0.395 310 G N 1.023 109.742 108.800 -0.135 0.000 2.682 310 G HA2 0.482 4.439 3.960 -0.005 0.000 0.303 310 G HA3 0.482 4.439 3.960 -0.005 0.000 0.303 310 G C -1.309 173.481 174.900 -0.183 0.000 1.341 310 G CA -0.378 44.601 45.100 -0.202 0.000 0.784 310 G HN 0.594 nan 8.290 nan 0.000 0.497 311 C N -0.639 118.556 119.300 -0.175 0.000 2.889 311 C HA 0.685 5.142 4.460 -0.005 0.000 0.307 311 C C 0.203 175.093 174.990 -0.167 0.000 1.251 311 C CA -0.630 58.294 59.018 -0.157 0.000 1.593 311 C CB 1.046 28.732 27.740 -0.089 0.000 2.104 311 C HN 0.689 nan 8.230 nan 0.000 0.476 312 L N 2.240 123.361 121.223 -0.171 0.000 2.455 312 L HA 0.231 4.568 4.340 -0.005 0.000 0.272 312 L C 0.255 177.094 176.870 -0.052 0.000 1.174 312 L CA 0.325 55.044 54.840 -0.201 0.000 0.869 312 L CB -0.224 41.758 42.059 -0.128 0.000 1.130 312 L HN 0.819 nan 8.230 nan 0.000 0.474 313 F N 1.567 121.472 119.950 -0.075 0.000 3.093 313 F HA -0.267 4.256 4.527 -0.005 0.000 0.283 313 F C 1.484 177.314 175.800 0.050 0.000 0.848 313 F CA 0.865 58.797 58.000 -0.113 0.000 1.059 313 F CB -2.050 36.756 39.000 -0.323 0.000 1.191 313 F HN 0.879 nan 8.300 nan 0.000 0.514 314 G N 0.275 109.144 108.800 0.114 0.000 2.225 314 G HA2 -0.358 3.599 3.960 -0.005 0.000 0.264 314 G HA3 -0.358 3.599 3.960 -0.005 0.000 0.264 314 G C -0.057 174.882 174.900 0.065 0.000 1.060 314 G CA 0.148 45.296 45.100 0.080 0.000 0.833 314 G HN 0.697 nan 8.290 nan 0.000 0.498 315 N N 0.401 119.129 118.700 0.046 0.000 2.467 315 N HA 0.645 5.382 4.740 -0.005 0.000 0.262 315 N C 0.672 176.194 175.510 0.020 0.000 1.234 315 N CA 1.613 54.687 53.050 0.038 0.000 0.952 315 N CB 0.991 39.498 38.487 0.033 0.000 1.158 315 N HN 1.536 nan 8.380 nan 0.000 0.463 316 G N 0.541 109.367 108.800 0.044 0.000 2.347 316 G HA2 -0.001 3.956 3.960 -0.005 0.000 0.321 316 G HA3 -0.001 3.956 3.960 -0.005 0.000 0.321 316 G C -1.540 173.427 174.900 0.112 0.000 1.412 316 G CA -0.879 44.270 45.100 0.082 0.000 0.990 316 G HN 0.531 nan 8.290 nan 0.000 0.637 317 E N 0.913 121.202 120.200 0.149 0.000 2.467 317 E HA 0.145 4.492 4.350 -0.005 0.000 0.264 317 E C 1.215 177.863 176.600 0.081 0.000 1.020 317 E CA 0.897 57.353 56.400 0.094 0.000 0.945 317 E CB 0.570 30.308 29.700 0.063 0.000 0.942 317 E HN 0.709 nan 8.360 nan 0.000 0.449 318 R N -0.275 120.251 120.500 0.044 0.000 3.951 318 R HA -0.309 4.028 4.340 -0.005 0.000 0.335 318 R C 1.773 178.094 176.300 0.036 0.000 0.258 318 R CA 2.227 58.345 56.100 0.029 0.000 1.115 318 R CB -2.051 28.258 30.300 0.015 0.000 0.967 318 R HN 0.744 nan 8.270 nan 0.000 0.574 319 T N -0.142 114.437 114.554 0.042 0.000 3.088 319 T HA 0.355 4.702 4.350 -0.005 0.000 0.259 319 T C 0.969 175.701 174.700 0.053 0.000 1.122 319 T CA 0.978 63.099 62.100 0.035 0.000 1.095 319 T CB 0.433 69.312 68.868 0.019 0.000 0.930 319 T HN 1.266 nan 8.240 nan 0.000 0.508 320 G N 0.892 109.751 108.800 0.097 0.000 2.541 320 G HA2 -0.074 3.884 3.960 -0.005 0.000 0.686 320 G HA3 -0.074 3.884 3.960 -0.005 0.000 0.686 320 G C -1.147 173.762 174.900 0.015 0.000 1.286 320 G CA -0.835 44.308 45.100 0.072 0.000 0.894 320 G HN 0.411 nan 8.290 nan 0.000 0.575 321 N N -1.302 117.323 118.700 -0.125 0.000 2.434 321 N HA 0.410 5.148 4.740 -0.005 0.000 0.266 321 N C 0.549 175.918 175.510 -0.236 0.000 1.223 321 N CA -0.171 52.659 53.050 -0.368 0.000 0.972 321 N CB 1.896 40.145 38.487 -0.397 0.000 1.207 321 N HN 0.680 nan 8.380 nan 0.000 0.525 322 V N 0.900 120.647 119.914 -0.279 0.000 2.788 322 V HA -0.108 4.009 4.120 -0.005 0.000 0.307 322 V C 0.415 176.441 176.094 -0.113 0.000 1.069 322 V CA -0.245 61.959 62.300 -0.160 0.000 1.173 322 V CB 0.361 32.100 31.823 -0.140 0.000 0.925 322 V HN 0.749 nan 8.190 nan 0.000 0.492 323 C N 7.668 126.932 119.300 -0.059 0.000 2.619 323 C HA 0.233 4.691 4.460 -0.005 0.000 0.389 323 C C 1.684 176.603 174.990 -0.119 0.000 1.314 323 C CA -0.462 58.525 59.018 -0.051 0.000 1.678 323 C CB -1.752 26.029 27.740 0.069 0.000 2.398 323 C HN 0.997 nan 8.230 nan 0.000 0.582 324 L N 5.083 126.193 121.223 -0.189 0.000 2.127 324 L HA -0.122 4.215 4.340 -0.005 0.000 0.211 324 L C 2.314 178.973 176.870 -0.351 0.000 1.089 324 L CA 1.290 55.967 54.840 -0.271 0.000 0.757 324 L CB -0.379 41.506 42.059 -0.290 0.000 0.899 324 L HN 0.708 nan 8.230 nan 0.000 0.434 325 V N -0.955 118.717 119.914 -0.403 0.000 2.346 325 V HA -0.217 3.901 4.120 -0.005 0.000 0.244 325 V C 2.505 178.234 176.094 -0.608 0.000 1.037 325 V CA 2.118 64.033 62.300 -0.641 0.000 1.029 325 V CB -0.542 30.753 31.823 -0.880 0.000 0.663 325 V HN 0.448 nan 8.190 nan 0.000 0.454 326 T N 0.797 115.213 114.554 -0.231 0.000 2.652 326 T HA -0.197 4.150 4.350 -0.005 0.000 0.267 326 T C 1.935 176.598 174.700 -0.063 0.000 1.039 326 T CA 1.763 63.872 62.100 0.015 0.000 1.153 326 T CB -0.392 68.542 68.868 0.109 0.000 0.863 326 T HN 0.248 nan 8.240 nan 0.000 0.428 327 L N 0.625 121.802 121.223 -0.077 0.000 2.013 327 L HA -0.114 4.223 4.340 -0.005 0.000 0.212 327 L C 3.044 179.927 176.870 0.021 0.000 1.073 327 L CA 1.652 56.514 54.840 0.036 0.000 0.753 327 L CB -1.102 41.044 42.059 0.146 0.000 0.890 327 L HN 0.408 nan 8.230 nan 0.000 0.432 328 G N -0.303 108.347 108.800 -0.249 0.000 2.418 328 G HA2 -0.207 3.751 3.960 -0.005 0.000 0.217 328 G HA3 -0.207 3.751 3.960 -0.005 0.000 0.217 328 G C 1.567 176.312 174.900 -0.258 0.000 1.158 328 G CA 0.537 45.531 45.100 -0.176 0.000 0.771 328 G HN 0.265 nan 8.290 nan 0.000 0.545 329 L N 0.358 121.166 121.223 -0.691 0.000 2.418 329 L HA 0.116 4.453 4.340 -0.005 0.000 0.218 329 L C 2.230 178.927 176.870 -0.288 0.000 1.125 329 L CA -0.012 54.404 54.840 -0.708 0.000 0.835 329 L CB -0.131 40.953 42.059 -1.625 0.000 0.953 329 L HN 0.074 nan 8.230 nan 0.000 0.454 330 N N 0.030 118.682 118.700 -0.080 0.000 2.381 330 N HA -0.084 4.653 4.740 -0.005 0.000 0.182 330 N C 1.798 177.386 175.510 0.129 0.000 1.025 330 N CA 1.027 54.162 53.050 0.143 0.000 0.888 330 N CB 0.007 38.593 38.487 0.166 0.000 0.965 330 N HN 0.315 nan 8.380 nan 0.000 0.438 331 L N -0.871 120.432 121.223 0.133 0.000 2.034 331 L HA -0.035 4.303 4.340 -0.005 0.000 0.203 331 L C 2.111 179.073 176.870 0.154 0.000 1.074 331 L CA 0.724 55.665 54.840 0.169 0.000 0.748 331 L CB -0.632 41.569 42.059 0.237 0.000 0.905 331 L HN 0.024 nan 8.230 nan 0.000 0.439 332 F N 1.751 121.714 119.950 0.021 0.000 2.087 332 F HA -0.333 4.191 4.527 -0.005 0.000 0.299 332 F C 2.706 178.517 175.800 0.019 0.000 1.100 332 F CA 1.955 59.961 58.000 0.010 0.000 1.226 332 F CB -0.424 38.561 39.000 -0.025 0.000 0.983 332 F HN 0.143 nan 8.300 nan 0.000 0.479 333 S N -0.430 115.157 115.700 -0.189 0.000 2.515 333 S HA 0.014 4.481 4.470 -0.005 0.000 0.231 333 S C 1.525 176.054 174.600 -0.118 0.000 0.987 333 S CA 0.236 58.297 58.200 -0.231 0.000 0.936 333 S CB -0.375 62.876 63.200 0.084 0.000 0.766 333 S HN 0.437 nan 8.310 nan 0.000 0.528 334 R N 0.538 121.004 120.500 -0.057 0.000 2.546 334 R HA 0.325 4.662 4.340 -0.005 0.000 0.320 334 R C 1.149 177.433 176.300 -0.027 0.000 1.021 334 R CA 0.452 56.541 56.100 -0.018 0.000 1.088 334 R CB 0.142 30.464 30.300 0.036 0.000 1.278 334 R HN 0.570 nan 8.270 nan 0.000 0.557 335 G N 0.677 109.427 108.800 -0.082 0.000 2.141 335 G HA2 -0.242 3.716 3.960 -0.005 0.000 0.242 335 G HA3 -0.242 3.716 3.960 -0.005 0.000 0.242 335 G C -0.034 174.874 174.900 0.013 0.000 0.982 335 G CA 0.044 45.111 45.100 -0.054 0.000 0.662 335 G HN 0.128 nan 8.290 nan 0.000 0.527 336 V N 0.923 120.868 119.914 0.053 0.000 2.417 336 V HA 0.507 4.624 4.120 -0.005 0.000 0.291 336 V C 0.064 176.251 176.094 0.155 0.000 1.024 336 V CA -0.860 61.500 62.300 0.100 0.000 0.861 336 V CB 1.841 33.735 31.823 0.118 0.000 0.985 336 V HN 0.316 nan 8.190 nan 0.000 0.436 337 D N 7.430 127.915 120.400 0.141 0.000 2.358 337 D HA 0.173 4.810 4.640 -0.005 0.000 0.258 337 D C -1.161 175.249 176.300 0.182 0.000 1.223 337 D CA -1.755 52.342 54.000 0.161 0.000 0.886 337 D CB 1.679 42.542 40.800 0.105 0.000 1.120 337 D HN 0.281 nan 8.370 nan 0.000 0.482 338 P HA -0.094 nan 4.420 nan 0.000 0.233 338 P C -0.200 177.280 177.300 0.300 0.000 1.167 338 P CA 0.538 63.845 63.100 0.346 0.000 0.770 338 P CB 0.214 32.148 31.700 0.389 0.000 0.837 339 Q N -1.507 118.356 119.800 0.106 0.000 2.489 339 Q HA -0.119 4.218 4.340 -0.005 0.000 0.259 339 Q C -0.353 175.560 176.000 -0.145 0.000 0.934 339 Q CA 0.486 56.294 55.803 0.009 0.000 1.131 339 Q CB -1.269 27.505 28.738 0.060 0.000 1.472 339 Q HN 0.347 nan 8.270 nan 0.000 0.560 340 I N 0.393 120.786 120.570 -0.296 0.000 2.656 340 I HA 0.221 4.388 4.170 -0.005 0.000 0.292 340 I C -0.309 175.327 176.117 -0.801 0.000 1.144 340 I CA -0.725 60.160 61.300 -0.691 0.000 1.038 340 I CB 1.967 39.308 38.000 -1.099 0.000 1.244 340 I HN -0.066 nan 8.210 nan 0.000 0.420 341 D N 5.046 125.008 120.400 -0.732 0.000 2.316 341 D HA 0.354 4.991 4.640 -0.005 0.000 0.245 341 D C -0.376 175.511 176.300 -0.687 0.000 1.171 341 D CA 0.216 53.881 54.000 -0.558 0.000 0.856 341 D CB 0.356 40.953 40.800 -0.338 0.000 1.090 341 D HN 0.275 nan 8.370 nan 0.000 0.476 342 F N 1.632 121.403 119.950 -0.299 0.000 2.791 342 F HA 0.115 4.639 4.527 -0.005 0.000 0.308 342 F C 2.108 177.743 175.800 -0.275 0.000 1.138 342 F CA -0.442 57.391 58.000 -0.278 0.000 1.294 342 F CB 0.119 38.918 39.000 -0.336 0.000 0.975 342 F HN 0.346 nan 8.300 nan 0.000 0.512 343 S N -0.536 115.077 115.700 -0.145 0.000 2.469 343 S HA -0.188 4.279 4.470 -0.005 0.000 0.238 343 S C 0.828 175.375 174.600 -0.088 0.000 0.998 343 S CA 0.864 58.976 58.200 -0.146 0.000 0.957 343 S CB -0.278 62.837 63.200 -0.142 0.000 0.764 343 S HN 0.567 nan 8.310 nan 0.000 0.514 344 N N -0.151 118.517 118.700 -0.054 0.000 2.750 344 N HA 0.283 5.020 4.740 -0.005 0.000 0.253 344 N C 0.244 175.772 175.510 0.029 0.000 1.408 344 N CA -0.161 52.877 53.050 -0.022 0.000 0.780 344 N CB 0.624 39.093 38.487 -0.031 0.000 1.191 344 N HN 0.269 nan 8.380 nan 0.000 0.511 345 I N 1.268 121.878 120.570 0.067 0.000 2.361 345 I HA -0.226 3.941 4.170 -0.005 0.000 0.251 345 I C 1.552 177.761 176.117 0.153 0.000 1.133 345 I CA 1.360 62.751 61.300 0.152 0.000 1.413 345 I CB 0.176 38.288 38.000 0.186 0.000 1.073 345 I HN 0.478 nan 8.210 nan 0.000 0.424 346 D N 0.706 121.159 120.400 0.088 0.000 2.116 346 D HA -0.306 4.332 4.640 -0.005 0.000 0.193 346 D C 2.126 178.450 176.300 0.040 0.000 0.998 346 D CA 1.626 55.658 54.000 0.052 0.000 0.836 346 D CB 0.003 40.819 40.800 0.027 0.000 0.951 346 D HN 0.402 nan 8.370 nan 0.000 0.449 347 E N -0.393 119.828 120.200 0.036 0.000 2.047 347 E HA -0.155 4.192 4.350 -0.005 0.000 0.191 347 E C 2.265 178.899 176.600 0.056 0.000 0.987 347 E CA 0.745 57.160 56.400 0.026 0.000 0.799 347 E CB -0.066 29.639 29.700 0.007 0.000 0.752 347 E HN 0.351 nan 8.360 nan 0.000 0.449 348 I N 0.885 121.512 120.570 0.095 0.000 2.127 348 I HA -0.327 3.840 4.170 -0.005 0.000 0.241 348 I C 2.914 179.161 176.117 0.217 0.000 1.075 348 I CA 1.590 62.985 61.300 0.158 0.000 1.334 348 I CB -0.445 37.681 38.000 0.210 0.000 1.040 348 I HN 0.121 nan 8.210 nan 0.000 0.405 349 R N 1.320 121.943 120.500 0.206 0.000 2.081 349 R HA -0.211 4.126 4.340 -0.005 0.000 0.235 349 R C 2.690 178.964 176.300 -0.044 0.000 1.131 349 R CA 1.992 58.079 56.100 -0.022 0.000 0.960 349 R CB -0.330 29.834 30.300 -0.228 0.000 0.856 349 R HN 0.281 nan 8.270 nan 0.000 0.436 350 R N 0.286 120.786 120.500 -0.000 0.000 2.096 350 R HA -0.080 4.257 4.340 -0.005 0.000 0.235 350 R C 2.232 178.568 176.300 0.060 0.000 1.127 350 R CA 2.136 58.241 56.100 0.009 0.000 0.968 350 R CB -1.752 28.547 30.300 -0.001 0.000 0.861 350 R HN 0.483 nan 8.270 nan 0.000 0.440 351 T N -0.117 114.484 114.554 0.078 0.000 2.851 351 T HA -0.019 4.328 4.350 -0.005 0.000 0.262 351 T C 2.184 176.977 174.700 0.156 0.000 1.043 351 T CA 1.228 63.406 62.100 0.131 0.000 1.140 351 T CB -0.083 68.843 68.868 0.097 0.000 0.872 351 T HN 0.190 nan 8.240 nan 0.000 0.446 352 V N 1.802 121.787 119.914 0.118 0.000 2.332 352 V HA -0.199 3.918 4.120 -0.005 0.000 0.248 352 V C 2.482 178.604 176.094 0.047 0.000 1.055 352 V CA 1.755 64.115 62.300 0.100 0.000 1.038 352 V CB -0.601 31.334 31.823 0.187 0.000 0.651 352 V HN 0.538 nan 8.190 nan 0.000 0.450 353 E N -1.046 119.163 120.200 0.015 0.000 2.077 353 E HA -0.255 4.093 4.350 -0.005 0.000 0.193 353 E C 2.079 178.700 176.600 0.035 0.000 0.989 353 E CA 1.707 58.104 56.400 -0.005 0.000 0.800 353 E CB -0.306 29.374 29.700 -0.034 0.000 0.746 353 E HN 0.731 nan 8.360 nan 0.000 0.452 354 Y N 1.362 121.650 120.300 -0.021 0.000 2.014 354 Y HA -0.372 4.175 4.550 -0.005 0.000 0.270 354 Y C 2.388 178.284 175.900 -0.006 0.000 1.145 354 Y CA 1.732 59.826 58.100 -0.010 0.000 1.106 354 Y CB -0.811 37.647 38.460 -0.004 0.000 0.968 354 Y HN 0.077 nan 8.280 nan 0.000 0.484 355 C N 0.923 120.140 119.300 -0.140 0.000 2.398 355 C HA -0.232 4.225 4.460 -0.005 0.000 0.276 355 C C 2.367 177.252 174.990 -0.175 0.000 1.222 355 C CA 1.640 60.536 59.018 -0.203 0.000 1.746 355 C CB -1.452 26.276 27.740 -0.021 0.000 2.039 355 C HN 0.649 nan 8.230 nan 0.000 0.470 356 N N -0.110 118.533 118.700 -0.096 0.000 2.415 356 N HA -0.019 4.718 4.740 -0.005 0.000 0.176 356 N C 0.717 176.182 175.510 -0.075 0.000 1.042 356 N CA 0.316 53.326 53.050 -0.068 0.000 0.902 356 N CB -0.474 37.998 38.487 -0.027 0.000 0.986 356 N HN 0.588 nan 8.380 nan 0.000 0.447 357 Q N -0.323 119.421 119.800 -0.094 0.000 2.435 357 Q HA -0.179 4.158 4.340 -0.005 0.000 0.286 357 Q C -1.066 174.911 176.000 -0.039 0.000 1.229 357 Q CA 0.553 56.314 55.803 -0.070 0.000 0.884 357 Q CB -1.552 27.137 28.738 -0.082 0.000 1.245 357 Q HN 0.381 nan 8.270 nan 0.000 0.488 358 L N 0.307 121.510 121.223 -0.033 0.000 2.408 358 L HA 0.619 4.956 4.340 -0.005 0.000 0.268 358 L C -2.061 174.789 176.870 -0.032 0.000 0.986 358 L CA -2.204 52.624 54.840 -0.021 0.000 0.820 358 L CB 1.761 43.814 42.059 -0.010 0.000 1.303 358 L HN -0.116 nan 8.230 nan 0.000 0.411 359 P HA 0.153 nan 4.420 nan 0.000 0.277 359 P C -0.653 176.600 177.300 -0.078 0.000 1.240 359 P CA -0.368 62.699 63.100 -0.055 0.000 0.798 359 P CB 1.461 33.146 31.700 -0.024 0.000 0.979 360 V N 3.413 123.212 119.914 -0.192 0.000 2.508 360 V HA 0.024 4.142 4.120 -0.005 0.000 0.281 360 V C 1.252 177.303 176.094 -0.072 0.000 1.041 360 V CA -0.247 61.890 62.300 -0.272 0.000 1.016 360 V CB -0.600 30.781 31.823 -0.737 0.000 0.984 360 V HN 0.621 nan 8.190 nan 0.000 0.478 361 H N 3.402 122.462 119.070 -0.018 0.000 2.948 361 H HA -0.007 4.547 4.556 -0.004 0.000 0.351 361 H C 0.973 176.312 175.328 0.018 0.000 1.079 361 H CA 0.034 56.095 56.048 0.021 0.000 1.407 361 H CB 0.982 30.785 29.762 0.068 0.000 1.373 361 H HN 0.753 nan 8.280 nan 0.000 0.605 362 E N 2.445 122.245 120.200 -0.666 0.000 2.267 362 E HA -0.151 4.196 4.350 -0.005 0.000 0.197 362 E C 1.303 177.764 176.600 -0.231 0.000 0.998 362 E CA 1.162 57.321 56.400 -0.401 0.000 0.830 362 E CB 0.171 29.622 29.700 -0.416 0.000 0.751 362 E HN 0.503 nan 8.360 nan 0.000 0.491 363 R N -0.735 119.669 120.500 -0.160 0.000 2.508 363 R HA 0.134 4.471 4.340 -0.005 0.000 0.300 363 R C -0.193 176.160 176.300 0.088 0.000 0.970 363 R CA -0.216 55.893 56.100 0.015 0.000 1.102 363 R CB 0.162 30.518 30.300 0.094 0.000 1.246 363 R HN 0.251 nan 8.270 nan 0.000 0.539 364 H N 2.723 121.828 119.070 0.057 0.000 2.964 364 H HA 0.058 4.611 4.556 -0.004 0.000 0.328 364 H C -2.188 173.165 175.328 0.043 0.000 1.030 364 H CA -1.076 55.030 56.048 0.095 0.000 1.445 364 H CB 0.716 30.569 29.762 0.151 0.000 1.449 364 H HN -0.168 nan 8.280 nan 0.000 0.581 365 P HA -0.156 nan 4.420 nan 0.000 0.263 365 P C -0.425 176.979 177.300 0.173 0.000 1.175 365 P CA 0.846 63.900 63.100 -0.076 0.000 0.761 365 P CB 0.138 31.744 31.700 -0.157 0.000 0.794 366 Y N 0.823 121.154 120.300 0.052 0.000 2.919 366 Y HA -0.338 4.209 4.550 -0.005 0.000 0.489 366 Y C 2.047 178.073 175.900 0.209 0.000 1.116 366 Y CA 2.147 60.318 58.100 0.118 0.000 2.847 366 Y CB -2.417 36.107 38.460 0.107 0.000 0.845 366 Y HN 0.524 nan 8.280 nan 0.000 0.542 367 G N -0.116 108.950 108.800 0.445 0.000 2.744 367 G HA2 0.377 4.334 3.960 -0.005 0.000 0.211 367 G HA3 0.377 4.334 3.960 -0.005 0.000 0.211 367 G C 1.024 175.982 174.900 0.096 0.000 1.146 367 G CA 0.379 45.695 45.100 0.359 0.000 0.787 367 G HN 0.730 nan 8.290 nan 0.000 0.534 368 G N 0.044 108.885 108.800 0.069 0.000 2.569 368 G HA2 0.298 4.255 3.960 -0.005 0.000 0.249 368 G HA3 0.298 4.255 3.960 -0.005 0.000 0.249 368 G C 0.405 175.277 174.900 -0.047 0.000 1.216 368 G CA -0.199 44.890 45.100 -0.019 0.000 0.845 368 G HN -0.018 nan 8.290 nan 0.000 0.568 369 D N 0.328 120.686 120.400 -0.069 0.000 2.158 369 D HA -0.116 4.521 4.640 -0.005 0.000 0.197 369 D C 2.258 178.537 176.300 -0.036 0.000 0.995 369 D CA 1.064 55.038 54.000 -0.044 0.000 0.846 369 D CB 0.148 40.913 40.800 -0.058 0.000 0.941 369 D HN 0.288 nan 8.370 nan 0.000 0.456 370 L N 0.496 121.681 121.223 -0.063 0.000 2.640 370 L HA 0.075 4.412 4.340 -0.005 0.000 0.230 370 L C 2.047 178.856 176.870 -0.103 0.000 1.123 370 L CA -0.072 54.735 54.840 -0.054 0.000 0.900 370 L CB 0.441 42.499 42.059 -0.000 0.000 1.146 370 L HN -0.076 nan 8.230 nan 0.000 0.484 371 V N -3.602 116.194 119.914 -0.197 0.000 2.871 371 V HA -0.136 3.981 4.120 -0.005 0.000 0.256 371 V C 1.094 176.904 176.094 -0.473 0.000 1.082 371 V CA 0.951 63.028 62.300 -0.371 0.000 1.105 371 V CB -0.868 30.654 31.823 -0.502 0.000 0.713 371 V HN 0.375 nan 8.190 nan 0.000 0.473 372 Y N 0.811 121.139 120.300 0.047 0.000 2.801 372 Y HA 0.557 5.104 4.550 -0.004 0.000 0.318 372 Y C 0.680 176.640 175.900 0.100 0.000 1.073 372 Y CA -0.392 57.772 58.100 0.107 0.000 1.360 372 Y CB 0.069 38.604 38.460 0.125 0.000 1.220 372 Y HN 0.077 nan 8.280 nan 0.000 0.536 373 T N 1.465 116.046 114.554 0.045 0.000 2.823 373 T HA 0.756 5.103 4.350 -0.005 0.000 0.279 373 T C -0.385 174.217 174.700 -0.163 0.000 0.998 373 T CA -0.688 61.313 62.100 -0.166 0.000 0.994 373 T CB 1.444 70.084 68.868 -0.380 0.000 0.960 373 T HN 0.283 nan 8.240 nan 0.000 0.448 374 A N 2.339 125.036 122.820 -0.204 0.000 2.311 374 A HA 0.716 5.034 4.320 -0.005 0.000 0.306 374 A C -0.052 177.349 177.584 -0.304 0.000 1.189 374 A CA -0.660 51.310 52.037 -0.112 0.000 0.791 374 A CB 0.338 19.450 19.000 0.187 0.000 1.172 374 A HN 0.891 nan 8.150 nan 0.000 0.481 375 F N 1.553 121.480 119.950 -0.039 0.000 2.619 375 F HA 0.103 4.627 4.527 -0.005 0.000 0.293 375 F C 1.792 177.532 175.800 -0.100 0.000 1.119 375 F CA 0.768 58.728 58.000 -0.068 0.000 1.445 375 F CB 0.530 39.485 39.000 -0.076 0.000 1.119 375 F HN 0.524 nan 8.300 nan 0.000 0.573 376 S N 0.646 116.332 115.700 -0.024 0.000 2.481 376 S HA 0.238 4.705 4.470 -0.005 0.000 0.276 376 S C 1.478 176.036 174.600 -0.070 0.000 1.247 376 S CA 0.014 58.116 58.200 -0.162 0.000 1.053 376 S CB 1.017 63.860 63.200 -0.595 0.000 0.925 376 S HN 0.385 nan 8.310 nan 0.000 0.491 377 G N 4.059 112.843 108.800 -0.027 0.000 2.469 377 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.220 377 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.220 377 G C 1.627 176.543 174.900 0.028 0.000 1.136 377 G CA 1.057 46.164 45.100 0.011 0.000 0.759 377 G HN 0.702 nan 8.290 nan 0.000 0.562 378 S N -0.401 115.308 115.700 0.014 0.000 2.356 378 S HA -0.092 4.375 4.470 -0.005 0.000 0.223 378 S C 1.986 176.666 174.600 0.133 0.000 1.032 378 S CA 1.138 59.380 58.200 0.070 0.000 1.005 378 S CB -0.415 62.832 63.200 0.078 0.000 0.867 378 S HN 0.670 nan 8.310 nan 0.000 0.449 379 H N 0.655 119.624 119.070 -0.168 0.000 2.353 379 H HA -0.074 4.479 4.556 -0.005 0.000 0.300 379 H C 2.457 177.751 175.328 -0.058 0.000 1.090 379 H CA 1.303 57.152 56.048 -0.332 0.000 1.327 379 H CB -0.039 29.369 29.762 -0.590 0.000 1.383 379 H HN 0.466 nan 8.280 nan 0.000 0.508 380 Q N 0.411 120.298 119.800 0.144 0.000 2.124 380 Q HA -0.169 4.168 4.340 -0.005 0.000 0.202 380 Q C 1.840 177.920 176.000 0.133 0.000 0.977 380 Q CA 1.654 57.567 55.803 0.183 0.000 0.850 380 Q CB 0.013 28.852 28.738 0.168 0.000 0.901 380 Q HN 0.429 nan 8.270 nan 0.000 0.429 381 D N 0.222 120.683 120.400 0.102 0.000 2.097 381 D HA -0.157 4.480 4.640 -0.005 0.000 0.195 381 D C 1.810 178.153 176.300 0.071 0.000 0.989 381 D CA 1.488 55.535 54.000 0.078 0.000 0.827 381 D CB -0.061 40.778 40.800 0.065 0.000 0.966 381 D HN 0.249 nan 8.370 nan 0.000 0.456 382 A N 0.177 123.063 122.820 0.109 0.000 1.877 382 A HA -0.145 4.172 4.320 -0.005 0.000 0.216 382 A C 2.394 180.006 177.584 0.047 0.000 1.186 382 A CA 1.363 53.465 52.037 0.108 0.000 0.620 382 A CB -0.952 18.199 19.000 0.252 0.000 0.822 382 A HN 0.392 nan 8.150 nan 0.000 0.443 383 I N 0.232 120.840 120.570 0.063 0.000 2.248 383 I HA -0.326 3.841 4.170 -0.005 0.000 0.248 383 I C 2.232 178.282 176.117 -0.112 0.000 1.107 383 I CA 1.426 62.678 61.300 -0.079 0.000 1.373 383 I CB -0.359 37.513 38.000 -0.214 0.000 1.055 383 I HN 0.371 nan 8.210 nan 0.000 0.418 384 N N 0.501 119.181 118.700 -0.032 0.000 2.251 384 N HA -0.093 4.644 4.740 -0.005 0.000 0.181 384 N C 1.810 177.298 175.510 -0.037 0.000 1.019 384 N CA 0.951 53.991 53.050 -0.017 0.000 0.862 384 N CB -0.061 38.449 38.487 0.038 0.000 0.992 384 N HN 0.328 nan 8.380 nan 0.000 0.429 385 K N 0.519 120.902 120.400 -0.029 0.000 2.063 385 K HA -0.079 4.238 4.320 -0.005 0.000 0.208 385 K C 2.057 178.606 176.600 -0.085 0.000 1.048 385 K CA 1.369 57.630 56.287 -0.042 0.000 0.928 385 K CB -0.359 32.126 32.500 -0.025 0.000 0.713 385 K HN 0.170 nan 8.250 nan 0.000 0.442 386 G N 1.134 109.859 108.800 -0.125 0.000 2.446 386 G HA2 -0.250 3.708 3.960 -0.005 0.000 0.217 386 G HA3 -0.250 3.708 3.960 -0.005 0.000 0.217 386 G C 1.431 176.193 174.900 -0.231 0.000 1.168 386 G CA 0.694 45.671 45.100 -0.205 0.000 0.771 386 G HN 0.134 nan 8.290 nan 0.000 0.551 387 L N 0.337 121.434 121.223 -0.210 0.000 2.127 387 L HA -0.075 4.262 4.340 -0.005 0.000 0.211 387 L C 2.433 179.243 176.870 -0.099 0.000 1.089 387 L CA 1.074 55.812 54.840 -0.171 0.000 0.757 387 L CB -0.273 41.728 42.059 -0.098 0.000 0.899 387 L HN 0.127 nan 8.230 nan 0.000 0.434 388 D N -0.118 120.235 120.400 -0.078 0.000 2.120 388 D HA -0.078 4.559 4.640 -0.005 0.000 0.202 388 D C 2.273 178.540 176.300 -0.055 0.000 0.972 388 D CA 1.343 55.314 54.000 -0.049 0.000 0.837 388 D CB -0.116 40.664 40.800 -0.034 0.000 0.989 388 D HN 0.229 nan 8.370 nan 0.000 0.469 389 A N 1.029 123.805 122.820 -0.074 0.000 1.892 389 A HA -0.247 4.070 4.320 -0.005 0.000 0.218 389 A C 2.282 179.820 177.584 -0.078 0.000 1.188 389 A CA 1.796 53.789 52.037 -0.075 0.000 0.631 389 A CB -0.712 18.233 19.000 -0.091 0.000 0.822 389 A HN 0.166 nan 8.150 nan 0.000 0.447 390 M N -0.534 119.001 119.600 -0.108 0.000 2.073 390 M HA -0.258 4.219 4.480 -0.005 0.000 0.258 390 M C 2.711 178.984 176.300 -0.044 0.000 1.070 390 M CA 2.691 57.935 55.300 -0.093 0.000 1.103 390 M CB -0.554 31.962 32.600 -0.139 0.000 1.321 390 M HN 0.560 nan 8.290 nan 0.000 0.405 391 K N 0.298 120.678 120.400 -0.034 0.000 2.057 391 K HA -0.028 4.289 4.320 -0.005 0.000 0.207 391 K C 2.064 178.656 176.600 -0.014 0.000 1.049 391 K CA 1.872 58.151 56.287 -0.012 0.000 0.931 391 K CB -2.152 30.345 32.500 -0.005 0.000 0.714 391 K HN 0.447 nan 8.250 nan 0.000 0.440 392 L N 1.163 122.372 121.223 -0.022 0.000 2.079 392 L HA -0.151 4.186 4.340 -0.005 0.000 0.210 392 L C 2.294 179.153 176.870 -0.019 0.000 1.081 392 L CA 3.012 57.840 54.840 -0.019 0.000 0.752 392 L CB -1.320 40.725 42.059 -0.023 0.000 0.896 392 L HN 0.558 nan 8.230 nan 0.000 0.433 393 D N -0.790 119.595 120.400 -0.024 0.000 2.224 393 D HA 0.114 4.751 4.640 -0.005 0.000 0.205 393 D C 2.398 178.691 176.300 -0.011 0.000 0.965 393 D CA 1.398 55.385 54.000 -0.021 0.000 0.852 393 D CB 0.014 40.797 40.800 -0.029 0.000 0.947 393 D HN 0.626 nan 8.370 nan 0.000 0.494 394 A N 0.563 123.379 122.820 -0.007 0.000 1.935 394 A HA -0.090 4.227 4.320 -0.005 0.000 0.214 394 A C 1.667 179.254 177.584 0.003 0.000 1.178 394 A CA 1.057 53.096 52.037 0.003 0.000 0.640 394 A CB -0.115 18.892 19.000 0.010 0.000 0.825 394 A HN -0.028 nan 8.150 nan 0.000 0.447 395 D N 0.403 120.804 120.400 0.001 0.000 2.183 395 D HA 0.030 4.667 4.640 -0.005 0.000 0.203 395 D C 1.754 178.054 176.300 -0.001 0.000 0.969 395 D CA 1.342 55.343 54.000 0.001 0.000 0.842 395 D CB -0.282 40.518 40.800 0.001 0.000 0.957 395 D HN 0.394 nan 8.370 nan 0.000 0.484 396 A N -0.228 122.590 122.820 -0.004 0.000 2.291 396 A HA 0.441 4.758 4.320 -0.005 0.000 0.220 396 A C 1.383 178.965 177.584 -0.003 0.000 1.262 396 A CA 0.749 52.783 52.037 -0.004 0.000 0.867 396 A CB -0.065 18.930 19.000 -0.008 0.000 0.888 396 A HN 0.138 nan 8.150 nan 0.000 0.487 397 A N -2.043 120.777 122.820 -0.001 0.000 2.661 397 A HA 0.475 4.792 4.320 -0.005 0.000 0.278 397 A C 0.624 178.210 177.584 0.003 0.000 1.090 397 A CA 1.059 53.096 52.037 0.000 0.000 0.969 397 A CB -0.846 18.155 19.000 0.001 0.000 1.240 397 A HN 1.450 nan 8.150 nan 0.000 0.578 398 D N -0.695 119.707 120.400 0.003 0.000 2.886 398 D HA -0.061 4.576 4.640 -0.005 0.000 0.221 398 D C -0.028 176.276 176.300 0.007 0.000 1.227 398 D CA 1.201 55.204 54.000 0.005 0.000 0.746 398 D CB -2.156 38.646 40.800 0.004 0.000 0.935 398 D HN 0.774 nan 8.370 nan 0.000 0.399 399 C N 1.126 120.432 119.300 0.009 0.000 2.898 399 C HA 0.684 5.141 4.460 -0.005 0.000 0.304 399 C C -0.482 174.519 174.990 0.018 0.000 1.237 399 C CA -0.922 58.104 59.018 0.013 0.000 1.529 399 C CB 2.290 30.038 27.740 0.014 0.000 2.021 399 C HN 0.749 nan 8.230 nan 0.000 0.474 400 D N 1.218 121.631 120.400 0.022 0.000 2.317 400 D HA 0.206 4.843 4.640 -0.005 0.000 0.252 400 D C 1.297 177.621 176.300 0.039 0.000 1.174 400 D CA -0.091 53.926 54.000 0.029 0.000 0.866 400 D CB 1.488 42.306 40.800 0.029 0.000 1.127 400 D HN 0.411 nan 8.370 nan 0.000 0.467 401 V N 2.110 122.051 119.914 0.044 0.000 2.439 401 V HA -0.268 3.850 4.120 -0.005 0.000 0.253 401 V C 1.333 177.484 176.094 0.095 0.000 1.074 401 V CA 1.592 63.929 62.300 0.062 0.000 1.076 401 V CB -0.547 31.315 31.823 0.065 0.000 0.664 401 V HN 0.401 nan 8.190 nan 0.000 0.461 402 D N 0.367 120.818 120.400 0.085 0.000 2.403 402 D HA -0.059 4.578 4.640 -0.005 0.000 0.227 402 D C 1.322 177.670 176.300 0.081 0.000 0.995 402 D CA 1.171 55.225 54.000 0.089 0.000 0.928 402 D CB -0.213 40.623 40.800 0.060 0.000 0.887 402 D HN 0.606 nan 8.370 nan 0.000 0.529 403 D N -0.930 119.513 120.400 0.071 0.000 2.469 403 D HA 0.040 4.678 4.640 -0.005 0.000 0.213 403 D C 0.473 176.812 176.300 0.065 0.000 1.135 403 D CA -0.117 53.920 54.000 0.062 0.000 0.834 403 D CB 0.542 41.368 40.800 0.043 0.000 1.009 403 D HN 0.092 nan 8.370 nan 0.000 0.507 404 M N 1.048 120.695 119.600 0.078 0.000 2.242 404 M HA 0.148 4.625 4.480 -0.005 0.000 0.344 404 M C 0.408 176.766 176.300 0.097 0.000 1.140 404 M CA -1.063 54.277 55.300 0.067 0.000 1.160 404 M CB 0.764 33.393 32.600 0.049 0.000 1.491 404 M HN -0.078 nan 8.290 nan 0.000 0.459 405 L N 4.111 125.374 121.223 0.066 0.000 2.747 405 L HA -0.140 4.198 4.340 -0.005 0.000 0.286 405 L C -0.443 176.497 176.870 0.117 0.000 1.216 405 L CA 0.975 55.860 54.840 0.074 0.000 0.930 405 L CB -0.122 41.952 42.059 0.024 0.000 1.216 405 L HN 0.661 nan 8.230 nan 0.000 0.486 406 W N 7.405 128.679 121.300 -0.043 0.000 2.368 406 W HA 0.155 4.812 4.660 -0.005 0.000 0.316 406 W C -0.804 175.686 176.519 -0.049 0.000 1.375 406 W CA -0.553 56.767 57.345 -0.041 0.000 1.261 406 W CB 0.658 30.094 29.460 -0.040 0.000 1.298 406 W HN 0.561 nan 8.180 nan 0.000 0.539 407 Q N 6.125 125.543 119.800 -0.637 0.000 3.244 407 Q HA 0.241 4.578 4.340 -0.005 0.000 0.249 407 Q C -1.231 174.358 176.000 -0.684 0.000 0.951 407 Q CA -0.325 55.173 55.803 -0.508 0.000 0.740 407 Q CB 1.417 29.986 28.738 -0.282 0.000 1.334 407 Q HN 0.276 nan 8.270 nan 0.000 0.448 408 V N 1.966 121.385 119.914 -0.826 0.000 2.524 408 V HA 0.348 4.465 4.120 -0.005 0.000 0.297 408 V C -2.361 173.548 176.094 -0.308 0.000 1.035 408 V CA -1.959 59.966 62.300 -0.625 0.000 0.867 408 V CB 2.171 33.485 31.823 -0.850 0.000 1.004 408 V HN 0.336 nan 8.190 nan 0.000 0.426 409 P HA 0.094 nan 4.420 nan 0.000 0.263 409 P C -0.165 177.008 177.300 -0.212 0.000 1.175 409 P CA 0.825 63.689 63.100 -0.393 0.000 0.761 409 P CB -0.011 31.441 31.700 -0.414 0.000 0.794 410 Y N -1.039 119.213 120.300 -0.080 0.000 4.784 410 Y HA -0.258 4.289 4.550 -0.005 0.000 0.278 410 Y C 0.399 176.334 175.900 0.057 0.000 0.980 410 Y CA 0.197 58.266 58.100 -0.051 0.000 1.845 410 Y CB -1.879 36.513 38.460 -0.113 0.000 1.177 410 Y HN 0.249 nan 8.280 nan 0.000 0.460 411 L N 2.169 123.525 121.223 0.222 0.000 2.295 411 L HA 0.286 4.623 4.340 -0.005 0.000 0.281 411 L C -1.642 175.487 176.870 0.433 0.000 1.018 411 L CA -1.859 53.196 54.840 0.358 0.000 0.841 411 L CB 1.315 43.659 42.059 0.475 0.000 1.218 411 L HN -0.274 nan 8.230 nan 0.000 0.424 412 P HA -0.077 nan 4.420 nan 0.000 0.217 412 P C 0.113 177.563 177.300 0.250 0.000 1.150 412 P CA 1.169 64.416 63.100 0.245 0.000 0.832 412 P CB 0.219 32.014 31.700 0.158 0.000 0.787 413 I N -5.334 115.323 120.570 0.144 0.000 3.002 413 I HA 0.537 4.704 4.170 -0.005 0.000 0.310 413 I C -0.535 175.071 176.117 -0.852 0.000 1.087 413 I CA -1.545 59.595 61.300 -0.266 0.000 1.017 413 I CB 1.713 39.755 38.000 0.069 0.000 1.226 413 I HN -0.409 nan 8.210 nan 0.000 0.443 414 D N 4.323 123.791 120.400 -1.553 0.000 2.363 414 D HA 0.204 4.841 4.640 -0.005 0.000 0.263 414 D C -1.743 174.137 176.300 -0.700 0.000 1.258 414 D CA -1.954 51.076 54.000 -1.617 0.000 0.907 414 D CB 1.456 41.470 40.800 -1.310 0.000 1.107 414 D HN 0.317 nan 8.370 nan 0.000 0.495 415 P HA -0.224 nan 4.420 nan 0.000 0.217 415 P C 1.441 178.501 177.300 -0.399 0.000 1.151 415 P CA 2.308 65.014 63.100 -0.657 0.000 0.849 415 P CB 0.124 31.532 31.700 -0.486 0.000 0.787 416 R N 0.357 120.696 120.500 -0.268 0.000 2.105 416 R HA -0.197 4.140 4.340 -0.005 0.000 0.239 416 R C 1.833 178.040 176.300 -0.154 0.000 1.135 416 R CA 2.198 58.200 56.100 -0.162 0.000 0.967 416 R CB -2.332 27.910 30.300 -0.096 0.000 0.861 416 R HN 0.248 nan 8.270 nan 0.000 0.442 417 D N 0.114 120.407 120.400 -0.178 0.000 2.309 417 D HA -0.086 4.551 4.640 -0.005 0.000 0.212 417 D C 1.509 177.697 176.300 -0.187 0.000 0.968 417 D CA 1.815 55.744 54.000 -0.119 0.000 0.882 417 D CB 0.297 41.117 40.800 0.033 0.000 0.918 417 D HN 0.503 nan 8.370 nan 0.000 0.503 418 V N -4.498 115.307 119.914 -0.182 0.000 3.176 418 V HA 0.574 4.692 4.120 -0.005 0.000 0.332 418 V C 1.137 177.176 176.094 -0.093 0.000 1.414 418 V CA 0.206 62.421 62.300 -0.141 0.000 1.133 418 V CB 0.237 32.009 31.823 -0.086 0.000 1.088 418 V HN 0.102 nan 8.190 nan 0.000 0.473 419 G N 0.837 109.573 108.800 -0.107 0.000 2.137 419 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.237 419 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.237 419 G C 0.222 175.084 174.900 -0.063 0.000 1.002 419 G CA 0.352 45.410 45.100 -0.070 0.000 0.702 419 G HN 0.589 nan 8.290 nan 0.000 0.515 420 R N -0.553 119.879 120.500 -0.114 0.000 3.006 420 R HA 0.874 5.211 4.340 -0.005 0.000 0.235 420 R C 0.298 176.531 176.300 -0.111 0.000 1.362 420 R CA 0.256 56.293 56.100 -0.104 0.000 1.067 420 R CB 1.031 31.238 30.300 -0.154 0.000 1.396 420 R HN 0.661 nan 8.270 nan 0.000 0.504 421 T N -2.317 112.205 114.554 -0.053 0.000 2.909 421 T HA 0.280 4.627 4.350 -0.005 0.000 0.299 421 T C -0.855 173.894 174.700 0.081 0.000 1.073 421 T CA -0.717 61.384 62.100 0.003 0.000 0.999 421 T CB 1.169 70.046 68.868 0.014 0.000 1.098 421 T HN 0.413 nan 8.240 nan 0.000 0.477 422 Y N 2.595 122.902 120.300 0.012 0.000 2.569 422 Y HA 0.339 4.886 4.550 -0.005 0.000 0.332 422 Y C -0.003 175.922 175.900 0.041 0.000 1.120 422 Y CA -0.427 57.716 58.100 0.072 0.000 1.416 422 Y CB 0.407 38.931 38.460 0.107 0.000 1.210 422 Y HN 0.591 nan 8.280 nan 0.000 0.528 423 E N 5.896 125.852 120.200 -0.406 0.000 2.055 423 E HA 0.358 4.705 4.350 -0.005 0.000 0.274 423 E C -0.792 175.306 176.600 -0.837 0.000 0.949 423 E CA -0.426 55.664 56.400 -0.516 0.000 0.775 423 E CB 1.164 30.707 29.700 -0.261 0.000 1.097 423 E HN 0.703 nan 8.360 nan 0.000 0.404 424 A N 4.056 126.337 122.820 -0.899 0.000 2.807 424 A HA 0.273 4.590 4.320 -0.005 0.000 0.307 424 A C 0.217 177.640 177.584 -0.268 0.000 1.532 424 A CA -0.508 51.210 52.037 -0.532 0.000 1.215 424 A CB -0.124 18.689 19.000 -0.312 0.000 1.127 424 A HN 0.332 nan 8.150 nan 0.000 0.543 425 V N 2.922 122.676 119.914 -0.267 0.000 2.455 425 V HA 0.386 4.503 4.120 -0.005 0.000 0.273 425 V C 0.994 177.116 176.094 0.047 0.000 1.045 425 V CA 0.566 62.808 62.300 -0.097 0.000 0.976 425 V CB 0.311 32.105 31.823 -0.049 0.000 0.993 425 V HN 0.728 nan 8.190 nan 0.000 0.475 436 G N 0.143 108.953 108.800 0.017 0.000 2.160 436 G HA2 -0.157 3.800 3.960 -0.005 0.000 0.244 436 G HA3 -0.157 3.800 3.960 -0.005 0.000 0.244 436 G C 1.169 176.136 174.900 0.112 0.000 1.022 436 G CA 0.823 45.963 45.100 0.067 0.000 0.741 436 G HN 1.164 nan 8.290 nan 0.000 0.508 437 V N 0.456 120.416 119.914 0.077 0.000 2.237 437 V HA -0.067 4.050 4.120 -0.005 0.000 0.245 437 V C 3.246 179.393 176.094 0.087 0.000 1.046 437 V CA 3.112 65.476 62.300 0.106 0.000 1.007 437 V CB -1.095 30.791 31.823 0.105 0.000 0.638 437 V HN 0.996 nan 8.190 nan 0.000 0.445 438 A N -1.040 121.809 122.820 0.049 0.000 1.917 438 A HA -0.311 4.006 4.320 -0.005 0.000 0.219 438 A C 2.170 179.754 177.584 0.001 0.000 1.182 438 A CA 2.451 54.486 52.037 -0.004 0.000 0.633 438 A CB -0.843 18.145 19.000 -0.020 0.000 0.819 438 A HN 0.693 nan 8.150 nan 0.000 0.448 439 Y N 0.227 120.503 120.300 -0.040 0.000 2.133 439 Y HA -0.134 4.413 4.550 -0.005 0.000 0.287 439 Y C 2.056 177.931 175.900 -0.041 0.000 1.134 439 Y CA 1.880 59.953 58.100 -0.045 0.000 1.133 439 Y CB -0.241 38.195 38.460 -0.039 0.000 0.987 439 Y HN 0.247 nan 8.280 nan 0.000 0.502 440 I N -0.459 120.125 120.570 0.024 0.000 2.252 440 I HA -0.306 3.861 4.170 -0.005 0.000 0.245 440 I C 2.196 178.270 176.117 -0.071 0.000 1.102 440 I CA 0.968 62.250 61.300 -0.030 0.000 1.385 440 I CB -0.359 37.723 38.000 0.137 0.000 1.064 440 I HN 0.304 nan 8.210 nan 0.000 0.414 441 M N 0.426 120.018 119.600 -0.012 0.000 2.117 441 M HA -0.213 4.264 4.480 -0.005 0.000 0.262 441 M C 2.282 178.510 176.300 -0.120 0.000 1.065 441 M CA 1.710 56.993 55.300 -0.028 0.000 1.114 441 M CB -1.156 31.382 32.600 -0.103 0.000 1.361 441 M HN 0.186 nan 8.290 nan 0.000 0.408 442 K N -0.377 119.910 120.400 -0.188 0.000 2.031 442 K HA -0.091 4.226 4.320 -0.005 0.000 0.205 442 K C 1.916 178.333 176.600 -0.305 0.000 1.049 442 K CA 1.624 57.776 56.287 -0.226 0.000 0.939 442 K CB 0.091 32.453 32.500 -0.230 0.000 0.717 442 K HN 0.230 nan 8.250 nan 0.000 0.438 443 T N 1.404 115.679 114.554 -0.464 0.000 2.674 443 T HA -0.117 4.230 4.350 -0.005 0.000 0.265 443 T C 1.184 175.639 174.700 -0.408 0.000 1.039 443 T CA 1.735 63.532 62.100 -0.505 0.000 1.150 443 T CB -0.265 68.089 68.868 -0.857 0.000 0.864 443 T HN 0.270 nan 8.240 nan 0.000 0.427 444 D N -0.132 119.993 120.400 -0.459 0.000 2.213 444 D HA 0.002 4.640 4.640 -0.005 0.000 0.205 444 D C 1.698 177.395 176.300 -1.004 0.000 0.961 444 D CA 0.878 54.480 54.000 -0.664 0.000 0.853 444 D CB -0.046 40.338 40.800 -0.694 0.000 0.967 444 D HN 0.504 nan 8.370 nan 0.000 0.496 445 H N -1.563 117.287 119.070 -0.367 0.000 2.986 445 H HA 0.309 4.863 4.556 -0.004 0.000 0.267 445 H C 1.357 176.537 175.328 -0.247 0.000 1.072 445 H CA 0.704 56.496 56.048 -0.427 0.000 1.202 445 H CB 1.315 30.671 29.762 -0.678 0.000 1.535 445 H HN 0.131 nan 8.280 nan 0.000 0.522 446 G N 1.662 110.377 108.800 -0.141 0.000 2.168 446 G HA2 -0.273 3.684 3.960 -0.005 0.000 0.263 446 G HA3 -0.273 3.684 3.960 -0.005 0.000 0.263 446 G C 0.199 175.117 174.900 0.029 0.000 0.977 446 G CA 0.178 45.238 45.100 -0.067 0.000 0.659 446 G HN 0.269 nan 8.290 nan 0.000 0.533 447 L N 1.613 122.846 121.223 0.017 0.000 2.260 447 L HA 0.457 4.794 4.340 -0.005 0.000 0.289 447 L C 0.280 177.144 176.870 -0.010 0.000 1.057 447 L CA -0.349 54.564 54.840 0.122 0.000 0.811 447 L CB 1.664 43.765 42.059 0.070 0.000 1.184 447 L HN 0.075 nan 8.230 nan 0.000 0.429 448 S N 5.284 120.983 115.700 -0.003 0.000 2.835 448 S HA 0.365 4.832 4.470 -0.005 0.000 0.286 448 S C 0.198 174.573 174.600 -0.374 0.000 1.194 448 S CA -0.581 57.479 58.200 -0.232 0.000 1.031 448 S CB -0.200 62.737 63.200 -0.438 0.000 1.216 448 S HN 0.378 nan 8.310 nan 0.000 0.502 449 L N 4.014 124.990 121.223 -0.411 0.000 2.477 449 L HA 0.213 4.550 4.340 -0.005 0.000 0.272 449 L C -2.083 174.372 176.870 -0.691 0.000 1.157 449 L CA -1.792 52.663 54.840 -0.642 0.000 0.889 449 L CB -0.377 41.464 42.059 -0.363 0.000 1.158 449 L HN 0.198 nan 8.230 nan 0.000 0.473 450 P HA -0.017 nan 4.420 nan 0.000 0.266 450 P C 0.833 177.783 177.300 -0.582 0.000 1.193 450 P CA 0.169 62.777 63.100 -0.821 0.000 0.770 450 P CB 0.519 31.610 31.700 -1.015 0.000 0.836 451 R N 4.012 124.287 120.500 -0.375 0.000 2.112 451 R HA -0.249 4.088 4.340 -0.005 0.000 0.242 451 R C 2.162 178.363 176.300 -0.164 0.000 1.137 451 R CA 2.291 58.264 56.100 -0.213 0.000 0.944 451 R CB -1.889 28.336 30.300 -0.126 0.000 0.857 451 R HN 0.510 nan 8.270 nan 0.000 0.435 452 R N -0.445 119.984 120.500 -0.118 0.000 2.120 452 R HA -0.046 4.292 4.340 -0.005 0.000 0.234 452 R C 2.382 178.621 176.300 -0.103 0.000 1.123 452 R CA 1.369 57.492 56.100 0.038 0.000 0.975 452 R CB -0.473 30.045 30.300 0.363 0.000 0.866 452 R HN 0.399 nan 8.270 nan 0.000 0.446 453 L N 1.501 122.351 121.223 -0.620 0.000 2.027 453 L HA -0.170 4.167 4.340 -0.005 0.000 0.206 453 L C 1.950 178.720 176.870 -0.167 0.000 1.074 453 L CA 1.731 56.180 54.840 -0.651 0.000 0.745 453 L CB -0.667 40.711 42.059 -1.134 0.000 0.898 453 L HN 0.114 nan 8.230 nan 0.000 0.433 454 Q N -0.415 119.285 119.800 -0.167 0.000 2.096 454 Q HA -0.266 4.071 4.340 -0.005 0.000 0.208 454 Q C 2.275 178.311 176.000 0.060 0.000 0.993 454 Q CA 2.386 58.187 55.803 -0.004 0.000 0.862 454 Q CB -0.401 28.305 28.738 -0.054 0.000 0.915 454 Q HN 0.558 nan 8.270 nan 0.000 0.416 455 I N 0.721 121.305 120.570 0.023 0.000 2.099 455 I HA -0.316 3.851 4.170 -0.005 0.000 0.239 455 I C 2.602 178.782 176.117 0.105 0.000 1.066 455 I CA 1.452 62.785 61.300 0.054 0.000 1.324 455 I CB -0.329 37.703 38.000 0.055 0.000 1.037 455 I HN 0.299 nan 8.210 nan 0.000 0.401 456 E N 0.298 120.592 120.200 0.157 0.000 2.097 456 E HA -0.295 4.052 4.350 -0.005 0.000 0.196 456 E C 2.123 178.900 176.600 0.294 0.000 1.000 456 E CA 1.715 58.255 56.400 0.232 0.000 0.804 456 E CB -0.084 29.812 29.700 0.327 0.000 0.740 456 E HN 0.436 nan 8.360 nan 0.000 0.454 457 F N 0.575 120.622 119.950 0.161 0.000 2.335 457 F HA 0.045 4.569 4.527 -0.005 0.000 0.296 457 F C 2.303 178.188 175.800 0.141 0.000 1.091 457 F CA 0.996 59.123 58.000 0.213 0.000 1.399 457 F CB -0.278 38.899 39.000 0.295 0.000 1.067 457 F HN -0.105 nan 8.300 nan 0.000 0.520 458 S N 0.308 115.982 115.700 -0.043 0.000 2.382 458 S HA -0.259 4.208 4.470 -0.005 0.000 0.228 458 S C 2.326 176.851 174.600 -0.125 0.000 1.027 458 S CA 1.546 59.649 58.200 -0.162 0.000 0.991 458 S CB -0.921 62.246 63.200 -0.055 0.000 0.823 458 S HN 0.644 nan 8.310 nan 0.000 0.469 459 Q N 0.873 120.655 119.800 -0.031 0.000 2.061 459 Q HA -0.094 4.243 4.340 -0.005 0.000 0.204 459 Q C 2.411 178.393 176.000 -0.031 0.000 0.984 459 Q CA 2.012 57.809 55.803 -0.010 0.000 0.846 459 Q CB -1.462 27.299 28.738 0.037 0.000 0.902 459 Q HN 0.491 nan 8.270 nan 0.000 0.421 460 V N 0.801 120.701 119.914 -0.023 0.000 2.407 460 V HA -0.246 3.871 4.120 -0.005 0.000 0.248 460 V C 2.831 178.858 176.094 -0.110 0.000 1.055 460 V CA 2.014 64.302 62.300 -0.020 0.000 1.049 460 V CB -0.931 30.959 31.823 0.111 0.000 0.662 460 V HN 0.810 nan 8.190 nan 0.000 0.455 461 I N -0.606 119.797 120.570 -0.279 0.000 2.830 461 I HA -0.036 4.131 4.170 -0.005 0.000 0.263 461 I C 2.544 178.584 176.117 -0.129 0.000 1.230 461 I CA 1.974 63.117 61.300 -0.262 0.000 1.480 461 I CB -1.795 35.941 38.000 -0.441 0.000 1.095 461 I HN 0.523 nan 8.210 nan 0.000 0.455 462 Q N 0.648 120.389 119.800 -0.099 0.000 2.291 462 Q HA 0.073 4.410 4.340 -0.005 0.000 0.206 462 Q C 1.729 177.708 176.000 -0.035 0.000 0.976 462 Q CA 1.944 57.714 55.803 -0.055 0.000 0.875 462 Q CB -1.262 27.452 28.738 -0.040 0.000 0.927 462 Q HN 1.094 nan 8.270 nan 0.000 0.450 475 V N 2.745 122.665 119.914 0.009 0.000 2.432 475 V HA 0.283 4.401 4.120 -0.005 0.000 0.271 475 V C 0.637 176.761 176.094 0.049 0.000 1.046 475 V CA 0.293 62.610 62.300 0.028 0.000 0.945 475 V CB 0.840 32.675 31.823 0.020 0.000 0.992 475 V HN 0.780 nan 8.190 nan 0.000 0.471 476 S N 7.000 122.737 115.700 0.061 0.000 2.580 476 S HA 0.154 4.621 4.470 -0.005 0.000 0.261 476 S C -1.444 173.223 174.600 0.112 0.000 1.366 476 S CA -0.436 57.809 58.200 0.075 0.000 0.996 476 S CB 0.542 63.784 63.200 0.070 0.000 0.902 476 S HN 0.554 nan 8.310 nan 0.000 0.566 477 P HA 0.026 nan 4.420 nan 0.000 0.214 477 P C 1.957 179.393 177.300 0.228 0.000 1.162 477 P CA 2.401 65.598 63.100 0.162 0.000 0.879 477 P CB -0.478 31.292 31.700 0.117 0.000 0.786 478 K N 0.782 121.295 120.400 0.190 0.000 2.044 478 K HA -0.254 4.063 4.320 -0.005 0.000 0.210 478 K C 2.039 178.794 176.600 0.258 0.000 1.049 478 K CA 2.171 58.598 56.287 0.233 0.000 0.927 478 K CB -1.843 30.753 32.500 0.159 0.000 0.713 478 K HN 0.327 nan 8.250 nan 0.000 0.443 479 E N -0.506 119.805 120.200 0.185 0.000 2.058 479 E HA -0.178 4.169 4.350 -0.005 0.000 0.194 479 E C 2.234 178.955 176.600 0.201 0.000 0.997 479 E CA 1.503 57.999 56.400 0.159 0.000 0.801 479 E CB -0.181 29.585 29.700 0.109 0.000 0.746 479 E HN 0.625 nan 8.360 nan 0.000 0.450 480 M N 0.433 120.176 119.600 0.239 0.000 2.108 480 M HA -0.183 4.294 4.480 -0.005 0.000 0.261 480 M C 2.143 178.720 176.300 0.461 0.000 1.066 480 M CA 1.577 57.066 55.300 0.315 0.000 1.107 480 M CB -0.225 32.547 32.600 0.287 0.000 1.356 480 M HN 0.340 nan 8.290 nan 0.000 0.406 481 W N 1.621 123.032 121.300 0.186 0.000 2.358 481 W HA -0.239 4.418 4.660 -0.004 0.000 0.303 481 W C 1.272 177.869 176.519 0.130 0.000 1.208 481 W CA 1.601 58.989 57.345 0.070 0.000 1.274 481 W CB -0.354 29.078 29.460 -0.046 0.000 1.138 481 W HN 0.311 nan 8.180 nan 0.000 0.515 482 D N 0.610 121.017 120.400 0.011 0.000 2.144 482 D HA -0.147 4.490 4.640 -0.005 0.000 0.199 482 D C 2.267 178.516 176.300 -0.085 0.000 0.984 482 D CA 1.847 55.787 54.000 -0.100 0.000 0.834 482 D CB -0.709 40.112 40.800 0.036 0.000 0.955 482 D HN 0.201 nan 8.370 nan 0.000 0.465 483 A N -0.120 122.744 122.820 0.074 0.000 2.016 483 A HA -0.059 4.258 4.320 -0.005 0.000 0.217 483 A C 1.986 179.659 177.584 0.149 0.000 1.162 483 A CA 0.439 52.564 52.037 0.146 0.000 0.662 483 A CB -0.679 18.478 19.000 0.262 0.000 0.812 483 A HN 0.219 nan 8.150 nan 0.000 0.450 484 F N 0.939 120.849 119.950 -0.067 0.000 2.098 484 F HA 0.031 4.555 4.527 -0.004 0.000 0.294 484 F C 2.555 178.124 175.800 -0.385 0.000 1.107 484 F CA 1.297 59.077 58.000 -0.368 0.000 1.234 484 F CB -0.445 38.234 39.000 -0.534 0.000 1.002 484 F HN 0.241 nan 8.300 nan 0.000 0.472 485 A N 0.215 122.688 122.820 -0.578 0.000 1.927 485 A HA -0.249 4.068 4.320 -0.005 0.000 0.220 485 A C 2.021 179.398 177.584 -0.345 0.000 1.185 485 A CA 2.292 54.001 52.037 -0.547 0.000 0.639 485 A CB -1.331 17.271 19.000 -0.664 0.000 0.820 485 A HN 0.443 nan 8.150 nan 0.000 0.451 486 E N -0.811 119.231 120.200 -0.262 0.000 2.106 486 E HA -0.131 4.216 4.350 -0.005 0.000 0.192 486 E C 2.167 178.630 176.600 -0.229 0.000 0.984 486 E CA 1.069 57.357 56.400 -0.186 0.000 0.806 486 E CB -0.318 29.314 29.700 -0.113 0.000 0.750 486 E HN 0.725 nan 8.360 nan 0.000 0.458 487 E N -1.158 118.859 120.200 -0.305 0.000 2.072 487 E HA -0.084 4.264 4.350 -0.005 0.000 0.190 487 E C 1.603 177.802 176.600 -0.668 0.000 0.982 487 E CA 1.130 57.228 56.400 -0.503 0.000 0.803 487 E CB 0.042 29.373 29.700 -0.615 0.000 0.755 487 E HN 0.588 nan 8.360 nan 0.000 0.453 488 Y N -1.397 118.593 120.300 -0.518 0.000 2.452 488 Y HA 0.192 4.740 4.550 -0.005 0.000 0.262 488 Y C 1.966 177.662 175.900 -0.340 0.000 1.089 488 Y CA -0.049 57.770 58.100 -0.469 0.000 1.262 488 Y CB 0.469 38.493 38.460 -0.728 0.000 1.236 488 Y HN -0.118 nan 8.280 nan 0.000 0.512 489 L N -1.391 119.709 121.223 -0.205 0.000 2.388 489 L HA 0.301 4.638 4.340 -0.005 0.000 0.209 489 L C 2.371 179.175 176.870 -0.109 0.000 1.061 489 L CA 0.790 55.550 54.840 -0.133 0.000 0.834 489 L CB -0.396 41.586 42.059 -0.128 0.000 1.029 489 L HN 0.100 nan 8.230 nan 0.000 0.473 490 A N 0.236 122.976 122.820 -0.134 0.000 1.855 490 A HA 0.107 4.424 4.320 -0.005 0.000 0.213 490 A C -1.219 176.316 177.584 -0.081 0.000 1.195 490 A CA 0.463 52.440 52.037 -0.099 0.000 0.610 490 A CB -1.810 17.127 19.000 -0.105 0.000 0.837 490 A HN 0.193 nan 8.150 nan 0.000 0.444 491 P HA 0.114 nan 4.420 nan 0.000 0.261 491 P C 0.294 177.559 177.300 -0.059 0.000 1.173 491 P CA 0.723 63.776 63.100 -0.077 0.000 0.760 491 P CB 0.687 32.330 31.700 -0.095 0.000 0.783 492 V N 0.513 120.402 119.914 -0.042 0.000 3.346 492 V HA 0.378 4.496 4.120 -0.005 0.000 0.309 492 V C 0.412 176.495 176.094 -0.019 0.000 1.457 492 V CA 0.090 62.374 62.300 -0.028 0.000 1.069 492 V CB -0.357 31.456 31.823 -0.018 0.000 0.944 492 V HN 0.305 nan 8.190 nan 0.000 0.449 493 R N 1.295 121.782 120.500 -0.022 0.000 2.686 493 R HA 0.506 4.843 4.340 -0.005 0.000 0.283 493 R C -2.184 174.112 176.300 -0.007 0.000 0.978 493 R CA -1.516 54.582 56.100 -0.004 0.000 0.897 493 R CB 2.369 32.671 30.300 0.004 0.000 1.192 493 R HN -0.012 nan 8.270 nan 0.000 0.457 494 P HA -0.067 nan 4.420 nan 0.000 0.229 494 P C -0.015 177.321 177.300 0.061 0.000 1.160 494 P CA 0.563 63.712 63.100 0.082 0.000 0.777 494 P CB 0.444 32.266 31.700 0.203 0.000 0.814 495 L N 0.619 121.815 121.223 -0.045 0.000 2.296 495 L HA 0.449 4.786 4.340 -0.005 0.000 0.286 495 L C -0.305 176.544 176.870 -0.036 0.000 1.023 495 L CA -0.820 53.968 54.840 -0.085 0.000 0.812 495 L CB 1.007 42.889 42.059 -0.295 0.000 1.223 495 L HN -0.185 nan 8.230 nan 0.000 0.421 496 E N 4.813 125.016 120.200 0.006 0.000 2.224 496 E HA 0.350 4.697 4.350 -0.005 0.000 0.265 496 E C -1.062 175.564 176.600 0.044 0.000 0.878 496 E CA -0.808 55.602 56.400 0.015 0.000 0.759 496 E CB 1.200 30.908 29.700 0.014 0.000 1.164 496 E HN 0.559 nan 8.360 nan 0.000 0.414 497 R N 6.464 126.993 120.500 0.048 0.000 2.207 497 R HA 0.205 4.542 4.340 -0.005 0.000 0.334 497 R C 0.484 176.798 176.300 0.023 0.000 1.013 497 R CA -0.419 55.721 56.100 0.067 0.000 0.858 497 R CB 0.447 30.780 30.300 0.056 0.000 1.094 497 R HN 0.631 nan 8.270 nan 0.000 0.457 498 I N 3.905 124.495 120.570 0.033 0.000 2.364 498 I HA 0.034 4.201 4.170 -0.005 0.000 0.241 498 I C 1.054 177.175 176.117 0.007 0.000 1.082 498 I CA 1.097 62.407 61.300 0.018 0.000 1.401 498 I CB -0.764 37.251 38.000 0.025 0.000 1.126 498 I HN 0.668 nan 8.210 nan 0.000 0.429 499 R N 1.436 121.946 120.500 0.016 0.000 2.747 499 R HA 0.548 4.885 4.340 -0.005 0.000 0.272 499 R C -1.550 174.763 176.300 0.023 0.000 1.032 499 R CA -0.772 55.332 56.100 0.007 0.000 0.896 499 R CB 1.598 31.907 30.300 0.014 0.000 1.253 499 R HN 0.121 nan 8.270 nan 0.000 0.461 500 Q N 1.291 121.104 119.800 0.021 0.000 2.522 500 Q HA 0.259 4.596 4.340 -0.005 0.000 0.285 500 Q C -1.786 174.267 176.000 0.088 0.000 0.982 500 Q CA -0.875 54.957 55.803 0.049 0.000 0.805 500 Q CB 1.678 30.414 28.738 -0.004 0.000 1.457 500 Q HN 0.804 nan 8.270 nan 0.000 0.394 501 H N 0.459 119.532 119.070 0.005 0.000 2.595 501 H HA 0.615 5.168 4.556 -0.005 0.000 0.313 501 H C -1.185 174.146 175.328 0.004 0.000 1.023 501 H CA -0.366 55.683 56.048 0.001 0.000 1.218 501 H CB 1.147 30.914 29.762 0.008 0.000 1.403 501 H HN 0.411 nan 8.280 nan 0.000 0.477 502 V N 5.120 124.805 119.914 -0.381 0.000 2.383 502 V HA 0.133 4.250 4.120 -0.005 0.000 0.275 502 V C -0.008 175.837 176.094 -0.415 0.000 1.036 502 V CA -0.564 61.560 62.300 -0.293 0.000 0.889 502 V CB 1.156 32.872 31.823 -0.178 0.000 0.985 502 V HN 0.815 nan 8.190 nan 0.000 0.459 503 D N 4.368 124.632 120.400 -0.228 0.000 2.462 503 D HA 0.558 5.195 4.640 -0.005 0.000 0.249 503 D C 0.047 176.309 176.300 -0.064 0.000 1.117 503 D CA -0.121 53.800 54.000 -0.133 0.000 0.900 503 D CB 1.159 41.945 40.800 -0.024 0.000 1.039 503 D HN 0.721 nan 8.370 nan 0.000 0.516 504 A N 2.291 125.071 122.820 -0.067 0.000 2.316 504 A HA 0.725 5.042 4.320 -0.005 0.000 0.284 504 A C 0.409 177.980 177.584 -0.022 0.000 1.115 504 A CA -0.416 51.596 52.037 -0.042 0.000 0.812 504 A CB 0.802 19.773 19.000 -0.047 0.000 1.064 504 A HN 0.671 nan 8.150 nan 0.000 0.489 505 A N 1.521 124.333 122.820 -0.013 0.000 2.440 505 A HA 0.382 4.699 4.320 -0.005 0.000 0.251 505 A C 0.427 178.007 177.584 -0.007 0.000 1.089 505 A CA -0.101 51.932 52.037 -0.006 0.000 0.779 505 A CB -0.090 18.909 19.000 -0.002 0.000 1.022 505 A HN 0.796 nan 8.150 nan 0.000 0.492 506 D N 0.581 120.979 120.400 -0.003 0.000 2.219 506 D HA -0.039 4.598 4.640 -0.005 0.000 0.205 506 D C -0.005 176.294 176.300 -0.002 0.000 0.970 506 D CA 1.372 55.370 54.000 -0.003 0.000 0.851 506 D CB 0.119 40.920 40.800 0.000 0.000 0.943 506 D HN 0.587 nan 8.370 nan 0.000 0.488 507 D N 1.030 121.429 120.400 -0.001 0.000 2.193 507 D HA 0.086 4.723 4.640 -0.005 0.000 0.249 507 D C -0.365 175.935 176.300 -0.000 0.000 1.034 507 D CA -0.447 53.553 54.000 0.000 0.000 0.902 507 D CB 1.211 42.012 40.800 0.002 0.000 1.182 507 D HN -0.089 nan 8.370 nan 0.000 0.436 508 D N 0.106 120.506 120.400 0.001 0.000 2.493 508 D HA 0.215 4.852 4.640 -0.005 0.000 0.240 508 D C 1.491 177.792 176.300 0.001 0.000 1.142 508 D CA 0.872 54.872 54.000 0.001 0.000 0.872 508 D CB 0.863 41.664 40.800 0.002 0.000 1.173 508 D HN 0.705 nan 8.370 nan 0.000 0.467 509 G N 1.832 110.632 108.800 0.001 0.000 2.234 509 G HA2 -0.224 3.733 3.960 -0.005 0.000 0.260 509 G HA3 -0.224 3.733 3.960 -0.005 0.000 0.260 509 G C 0.868 175.770 174.900 0.002 0.000 0.987 509 G CA 0.340 45.441 45.100 0.002 0.000 0.625 509 G HN 0.838 nan 8.290 nan 0.000 0.532 510 G N -0.127 108.674 108.800 0.002 0.000 2.661 510 G HA2 0.524 4.482 3.960 -0.005 0.000 0.272 510 G HA3 0.524 4.482 3.960 -0.005 0.000 0.272 510 G C 0.556 175.459 174.900 0.004 0.000 1.296 510 G CA 1.184 46.286 45.100 0.003 0.000 0.998 510 G HN 1.473 nan 8.290 nan 0.000 0.553 511 T N -3.007 111.552 114.554 0.007 0.000 2.895 511 T HA 0.616 4.963 4.350 -0.005 0.000 0.283 511 T C -0.284 174.421 174.700 0.009 0.000 1.014 511 T CA -0.630 61.478 62.100 0.012 0.000 1.037 511 T CB 1.832 70.712 68.868 0.019 0.000 1.006 511 T HN 0.370 nan 8.240 nan 0.000 0.468 512 T N 2.224 116.784 114.554 0.009 0.000 2.794 512 T HA 0.555 4.902 4.350 -0.005 0.000 0.280 512 T C -0.120 174.589 174.700 0.014 0.000 0.987 512 T CA -0.514 61.586 62.100 -0.001 0.000 0.993 512 T CB 1.378 70.236 68.868 -0.017 0.000 0.939 512 T HN 0.640 nan 8.240 nan 0.000 0.449 513 S N 2.502 118.208 115.700 0.010 0.000 2.475 513 S HA 0.694 5.162 4.470 -0.005 0.000 0.298 513 S C -0.632 173.982 174.600 0.022 0.000 1.119 513 S CA -0.659 57.557 58.200 0.028 0.000 1.085 513 S CB 0.517 63.738 63.200 0.036 0.000 1.028 513 S HN 0.616 nan 8.310 nan 0.000 0.489 514 I N 2.827 123.429 120.570 0.054 0.000 2.498 514 I HA 0.425 4.592 4.170 -0.005 0.000 0.290 514 I C -0.870 175.309 176.117 0.103 0.000 1.032 514 I CA -0.188 61.156 61.300 0.073 0.000 1.073 514 I CB 2.066 40.131 38.000 0.109 0.000 1.251 514 I HN 0.510 nan 8.210 nan 0.000 0.426 515 T N 6.246 120.872 114.554 0.120 0.000 2.792 515 T HA 0.780 5.127 4.350 -0.005 0.000 0.280 515 T C -0.541 174.239 174.700 0.132 0.000 0.990 515 T CA -0.584 61.588 62.100 0.120 0.000 0.960 515 T CB 1.554 70.488 68.868 0.110 0.000 0.939 515 T HN 0.617 nan 8.240 nan 0.000 0.439 516 A N 2.337 125.241 122.820 0.140 0.000 2.401 516 A HA 0.800 5.118 4.320 -0.005 0.000 0.310 516 A C -0.098 177.556 177.584 0.116 0.000 1.075 516 A CA -0.888 51.240 52.037 0.152 0.000 0.746 516 A CB 1.262 20.429 19.000 0.278 0.000 1.277 516 A HN 0.657 nan 8.150 nan 0.000 0.425 517 T N 1.911 116.522 114.554 0.095 0.000 2.743 517 T HA 0.543 4.891 4.350 -0.005 0.000 0.292 517 T C 0.065 174.815 174.700 0.082 0.000 0.972 517 T CA -0.200 61.943 62.100 0.072 0.000 0.967 517 T CB 0.362 69.260 68.868 0.050 0.000 0.926 517 T HN 1.353 nan 8.240 nan 0.000 0.459 518 V N 1.145 121.109 119.914 0.082 0.000 3.074 518 V HA 0.775 4.892 4.120 -0.005 0.000 0.314 518 V C -0.957 175.176 176.094 0.064 0.000 1.117 518 V CA -1.385 60.966 62.300 0.085 0.000 1.014 518 V CB 2.120 34.007 31.823 0.107 0.000 1.057 518 V HN 0.628 nan 8.190 nan 0.000 0.438 519 K N 2.206 122.641 120.400 0.058 0.000 2.323 519 K HA 0.692 5.009 4.320 -0.005 0.000 0.259 519 K C -1.152 175.489 176.600 0.069 0.000 0.947 519 K CA -0.392 55.925 56.287 0.052 0.000 0.819 519 K CB 1.961 34.483 32.500 0.037 0.000 1.109 519 K HN 0.686 nan 8.250 nan 0.000 0.429 520 I N 3.568 124.186 120.570 0.079 0.000 2.307 520 I HA 0.121 4.288 4.170 -0.005 0.000 0.289 520 I C -0.098 176.064 176.117 0.076 0.000 1.021 520 I CA -0.639 60.728 61.300 0.112 0.000 1.224 520 I CB 0.932 39.003 38.000 0.119 0.000 1.376 520 I HN 0.682 nan 8.210 nan 0.000 0.470 521 N N 5.826 124.573 118.700 0.079 0.000 2.699 521 N HA -0.225 4.512 4.740 -0.005 0.000 0.256 521 N C 0.975 176.505 175.510 0.033 0.000 0.993 521 N CA 1.113 54.193 53.050 0.050 0.000 0.759 521 N CB -0.563 37.950 38.487 0.043 0.000 0.906 521 N HN 1.198 nan 8.380 nan 0.000 0.541 522 G N -2.481 106.337 108.800 0.032 0.000 2.217 522 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.246 522 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.246 522 G C 0.019 174.933 174.900 0.024 0.000 0.990 522 G CA 0.206 45.320 45.100 0.023 0.000 0.627 522 G HN 0.419 nan 8.290 nan 0.000 0.522 523 V N 2.116 122.048 119.914 0.030 0.000 2.318 523 V HA 0.389 4.506 4.120 -0.005 0.000 0.271 523 V C 0.730 176.843 176.094 0.031 0.000 1.030 523 V CA -0.650 61.666 62.300 0.026 0.000 0.844 523 V CB 1.483 33.319 31.823 0.022 0.000 1.015 523 V HN 0.426 nan 8.190 nan 0.000 0.460 524 E N 3.548 123.764 120.200 0.027 0.000 2.558 524 E HA 0.120 4.467 4.350 -0.005 0.000 0.255 524 E C -0.492 176.126 176.600 0.030 0.000 0.968 524 E CA 0.444 56.861 56.400 0.029 0.000 0.939 524 E CB 0.456 30.170 29.700 0.023 0.000 0.921 524 E HN 0.756 nan 8.360 nan 0.000 0.477 525 T N 4.290 118.867 114.554 0.038 0.000 2.923 525 T HA 0.249 4.596 4.350 -0.005 0.000 0.311 525 T C -1.133 173.593 174.700 0.043 0.000 1.183 525 T CA -1.028 61.094 62.100 0.037 0.000 1.020 525 T CB 1.570 70.463 68.868 0.042 0.000 1.165 525 T HN 0.301 nan 8.240 nan 0.000 0.482 526 E N 2.143 122.365 120.200 0.037 0.000 2.231 526 E HA 0.636 4.983 4.350 -0.005 0.000 0.277 526 E C -0.150 176.477 176.600 0.044 0.000 0.999 526 E CA -0.657 55.769 56.400 0.044 0.000 0.827 526 E CB 1.702 31.423 29.700 0.036 0.000 1.101 526 E HN 0.723 nan 8.360 nan 0.000 0.393 527 I N -1.964 118.640 120.570 0.057 0.000 2.828 527 I HA 0.733 4.900 4.170 -0.005 0.000 0.302 527 I C -0.469 175.683 176.117 0.058 0.000 1.101 527 I CA -0.724 60.603 61.300 0.045 0.000 1.031 527 I CB 2.511 40.527 38.000 0.026 0.000 1.231 527 I HN 0.253 nan 8.210 nan 0.000 0.427 528 S N 2.194 117.921 115.700 0.045 0.000 2.537 528 S HA 0.928 5.395 4.470 -0.005 0.000 0.270 528 S C -0.826 173.806 174.600 0.053 0.000 1.142 528 S CA -0.044 58.190 58.200 0.057 0.000 0.870 528 S CB 1.829 65.061 63.200 0.054 0.000 1.112 528 S HN 1.386 nan 8.310 nan 0.000 0.466 529 G N 1.379 110.221 108.800 0.070 0.000 2.703 529 G HA2 0.611 4.568 3.960 -0.005 0.000 0.294 529 G HA3 0.611 4.568 3.960 -0.005 0.000 0.294 529 G C -1.533 173.424 174.900 0.095 0.000 1.451 529 G CA -0.401 44.752 45.100 0.089 0.000 0.869 529 G HN 0.728 nan 8.290 nan 0.000 0.516 530 S N -1.429 114.345 115.700 0.124 0.000 2.600 530 S HA 0.979 5.447 4.470 -0.005 0.000 0.300 530 S C 0.203 174.935 174.600 0.220 0.000 1.087 530 S CA 0.089 58.357 58.200 0.114 0.000 0.965 530 S CB 1.979 65.219 63.200 0.068 0.000 1.089 530 S HN 1.724 nan 8.310 nan 0.000 0.496 531 G N 1.100 109.985 108.800 0.141 0.000 2.430 531 G HA2 0.265 4.222 3.960 -0.005 0.000 0.300 531 G HA3 0.265 4.222 3.960 -0.005 0.000 0.300 531 G C -0.343 174.593 174.900 0.059 0.000 1.330 531 G CA -0.615 44.578 45.100 0.156 0.000 0.813 531 G HN 0.475 nan 8.290 nan 0.000 0.487 532 N N -0.541 118.185 118.700 0.043 0.000 2.309 532 N HA 0.157 4.894 4.740 -0.005 0.000 0.182 532 N C 0.980 176.480 175.510 -0.017 0.000 1.018 532 N CA 1.475 54.531 53.050 0.010 0.000 0.876 532 N CB 0.289 38.781 38.487 0.008 0.000 0.972 532 N HN 0.919 nan 8.380 nan 0.000 0.434 533 G N -1.032 107.745 108.800 -0.039 0.000 2.721 533 G HA2 0.317 4.274 3.960 -0.005 0.000 0.296 533 G HA3 0.317 4.274 3.960 -0.005 0.000 0.296 533 G C -2.276 172.584 174.900 -0.067 0.000 1.383 533 G CA -0.618 44.449 45.100 -0.056 0.000 0.788 533 G HN -0.191 nan 8.290 nan 0.000 0.500 534 P HA -0.010 nan 4.420 nan 0.000 0.222 534 P C 1.918 179.184 177.300 -0.058 0.000 1.153 534 P CA 0.468 63.529 63.100 -0.064 0.000 0.798 534 P CB 0.339 31.989 31.700 -0.084 0.000 0.796 535 L N -0.262 120.897 121.223 -0.108 0.000 2.179 535 L HA 0.145 4.482 4.340 -0.005 0.000 0.208 535 L C 2.359 179.157 176.870 -0.120 0.000 1.096 535 L CA 1.617 56.396 54.840 -0.101 0.000 0.779 535 L CB -1.434 40.495 42.059 -0.216 0.000 0.922 535 L HN -0.122 nan 8.230 nan 0.000 0.443 536 A N 0.023 122.729 122.820 -0.191 0.000 1.873 536 A HA -0.038 4.279 4.320 -0.005 0.000 0.215 536 A C 2.491 179.792 177.584 -0.470 0.000 1.186 536 A CA 1.721 53.538 52.037 -0.366 0.000 0.616 536 A CB -1.255 17.596 19.000 -0.248 0.000 0.823 536 A HN 0.565 nan 8.150 nan 0.000 0.442 537 A N -1.095 121.628 122.820 -0.161 0.000 1.883 537 A HA -0.124 4.193 4.320 -0.005 0.000 0.217 537 A C 2.068 179.667 177.584 0.025 0.000 1.186 537 A CA 1.835 53.861 52.037 -0.019 0.000 0.624 537 A CB -0.806 18.215 19.000 0.034 0.000 0.822 537 A HN 0.655 nan 8.150 nan 0.000 0.444 538 F N 0.362 120.243 119.950 -0.115 0.000 2.102 538 F HA -0.135 4.389 4.527 -0.005 0.000 0.298 538 F C 2.360 178.115 175.800 -0.076 0.000 1.105 538 F CA 1.718 59.670 58.000 -0.079 0.000 1.239 538 F CB -0.486 38.464 39.000 -0.084 0.000 0.991 538 F HN 0.032 nan 8.300 nan 0.000 0.474 539 V N 0.044 119.858 119.914 -0.168 0.000 2.343 539 V HA -0.342 3.775 4.120 -0.005 0.000 0.247 539 V C 2.316 178.329 176.094 -0.135 0.000 1.051 539 V CA 2.535 64.701 62.300 -0.223 0.000 1.036 539 V CB -0.761 30.941 31.823 -0.200 0.000 0.654 539 V HN 0.456 nan 8.190 nan 0.000 0.451 540 H N -0.267 118.762 119.070 -0.067 0.000 2.299 540 H HA -0.077 4.476 4.556 -0.005 0.000 0.302 540 H C 2.343 177.631 175.328 -0.067 0.000 1.078 540 H CA 1.101 57.118 56.048 -0.052 0.000 1.323 540 H CB -0.303 29.443 29.762 -0.027 0.000 1.381 540 H HN 0.458 nan 8.280 nan 0.000 0.498 541 A N 1.301 124.147 122.820 0.044 0.000 1.971 541 A HA -0.227 4.090 4.320 -0.005 0.000 0.222 541 A C 2.322 179.859 177.584 -0.079 0.000 1.182 541 A CA 1.664 53.687 52.037 -0.023 0.000 0.649 541 A CB -0.968 18.011 19.000 -0.035 0.000 0.818 541 A HN 0.354 nan 8.150 nan 0.000 0.458 542 L N -1.283 119.842 121.223 -0.164 0.000 2.201 542 L HA -0.169 4.168 4.340 -0.005 0.000 0.212 542 L C 3.065 179.953 176.870 0.030 0.000 1.105 542 L CA 0.720 55.498 54.840 -0.104 0.000 0.775 542 L CB -0.558 41.382 42.059 -0.198 0.000 0.913 542 L HN 0.482 nan 8.230 nan 0.000 0.440 543 A N 0.184 123.013 122.820 0.015 0.000 1.917 543 A HA -0.271 4.046 4.320 -0.005 0.000 0.219 543 A C 1.771 179.346 177.584 -0.015 0.000 1.182 543 A CA 2.098 54.142 52.037 0.012 0.000 0.633 543 A CB -0.584 18.424 19.000 0.013 0.000 0.819 543 A HN 0.380 nan 8.150 nan 0.000 0.448 544 D N -1.090 119.304 120.400 -0.010 0.000 2.393 544 D HA -0.015 4.622 4.640 -0.005 0.000 0.220 544 D C 1.111 177.393 176.300 -0.030 0.000 0.974 544 D CA 1.501 55.491 54.000 -0.018 0.000 0.931 544 D CB -0.100 40.696 40.800 -0.006 0.000 0.889 544 D HN 0.522 nan 8.370 nan 0.000 0.512 545 V N -1.216 118.679 119.914 -0.032 0.000 2.991 545 V HA 0.561 4.678 4.120 -0.005 0.000 0.355 545 V C 1.332 177.253 176.094 -0.288 0.000 1.384 545 V CA 0.194 62.450 62.300 -0.074 0.000 1.171 545 V CB 0.143 31.991 31.823 0.042 0.000 1.190 545 V HN 0.094 nan 8.190 nan 0.000 0.540 546 G N 0.286 108.927 108.800 -0.265 0.000 2.137 546 G HA2 -0.213 3.745 3.960 -0.005 0.000 0.237 546 G HA3 -0.213 3.745 3.960 -0.005 0.000 0.237 546 G C -0.205 174.363 174.900 -0.553 0.000 1.002 546 G CA 0.363 45.230 45.100 -0.389 0.000 0.702 546 G HN 0.789 nan 8.290 nan 0.000 0.515 547 F N 1.326 121.243 119.950 -0.055 0.000 2.311 547 F HA 0.501 5.025 4.527 -0.005 0.000 0.371 547 F C 0.731 176.497 175.800 -0.057 0.000 1.083 547 F CA -0.247 57.717 58.000 -0.059 0.000 1.113 547 F CB 0.912 39.865 39.000 -0.079 0.000 1.349 547 F HN 0.191 nan 8.300 nan 0.000 0.470 548 D N 3.124 123.574 120.400 0.083 0.000 2.336 548 D HA 0.533 5.170 4.640 -0.005 0.000 0.249 548 D C -0.399 175.936 176.300 0.059 0.000 1.213 548 D CA -0.201 53.830 54.000 0.052 0.000 0.870 548 D CB 1.092 41.903 40.800 0.019 0.000 1.076 548 D HN 0.287 nan 8.370 nan 0.000 0.483 549 V N 0.515 120.455 119.914 0.044 0.000 2.487 549 V HA 0.833 4.950 4.120 -0.005 0.000 0.298 549 V C 0.209 176.307 176.094 0.007 0.000 1.028 549 V CA -1.011 61.298 62.300 0.015 0.000 0.860 549 V CB 1.353 33.166 31.823 -0.016 0.000 0.991 549 V HN 1.015 nan 8.190 nan 0.000 0.427 550 A N 4.048 126.864 122.820 -0.007 0.000 2.332 550 A HA 0.760 5.077 4.320 -0.005 0.000 0.300 550 A C -0.580 176.981 177.584 -0.039 0.000 1.153 550 A CA -0.590 51.440 52.037 -0.011 0.000 0.764 550 A CB 1.406 20.405 19.000 -0.002 0.000 1.174 550 A HN 0.758 nan 8.150 nan 0.000 0.467 551 V N 5.037 124.923 119.914 -0.046 0.000 2.425 551 V HA -0.004 4.113 4.120 -0.005 0.000 0.276 551 V C 1.242 177.301 176.094 -0.058 0.000 1.017 551 V CA 0.449 62.713 62.300 -0.061 0.000 1.062 551 V CB -0.510 31.274 31.823 -0.066 0.000 0.997 551 V HN 0.881 nan 8.190 nan 0.000 0.476 552 L N 1.971 123.141 121.223 -0.089 0.000 2.130 552 L HA 0.317 4.654 4.340 -0.005 0.000 0.200 552 L C 0.718 177.548 176.870 -0.067 0.000 1.075 552 L CA 0.908 55.700 54.840 -0.080 0.000 0.768 552 L CB 0.037 42.029 42.059 -0.111 0.000 0.933 552 L HN 0.555 nan 8.230 nan 0.000 0.451 553 D N -2.142 118.185 120.400 -0.122 0.000 2.547 553 D HA 0.430 5.067 4.640 -0.005 0.000 0.231 553 D C -1.764 174.543 176.300 0.011 0.000 1.099 553 D CA -0.362 53.601 54.000 -0.062 0.000 0.901 553 D CB 2.743 43.577 40.800 0.056 0.000 1.478 553 D HN -0.087 nan 8.370 nan 0.000 0.471 554 Y N 1.355 121.549 120.300 -0.178 0.000 2.436 554 Y HA 0.482 5.030 4.550 -0.005 0.000 0.327 554 Y C -2.262 173.437 175.900 -0.334 0.000 1.138 554 Y CA -0.593 57.461 58.100 -0.077 0.000 1.042 554 Y CB 0.596 39.010 38.460 -0.078 0.000 1.302 554 Y HN 0.341 nan 8.280 nan 0.000 0.439 555 Y N 3.410 123.456 120.300 -0.422 0.000 2.553 555 Y HA 0.645 5.192 4.550 -0.005 0.000 0.347 555 Y C -0.596 175.032 175.900 -0.452 0.000 1.019 555 Y CA -1.039 56.800 58.100 -0.435 0.000 1.032 555 Y CB 2.615 41.056 38.460 -0.032 0.000 1.284 555 Y HN 0.675 nan 8.280 nan 0.000 0.466 556 E N 0.939 121.037 120.200 -0.169 0.000 2.366 556 E HA 0.533 4.880 4.350 -0.005 0.000 0.278 556 E C -1.932 174.719 176.600 0.085 0.000 0.923 556 E CA -0.802 55.561 56.400 -0.061 0.000 0.761 556 E CB 1.922 31.579 29.700 -0.071 0.000 1.231 556 E HN 0.782 nan 8.360 nan 0.000 0.443 557 H N 0.447 119.576 119.070 0.098 0.000 3.012 557 H HA 0.735 5.288 4.556 -0.005 0.000 0.367 557 H C -1.055 174.301 175.328 0.047 0.000 1.211 557 H CA -0.616 55.475 56.048 0.072 0.000 1.139 557 H CB 0.990 30.797 29.762 0.075 0.000 1.838 557 H HN 0.521 nan 8.280 nan 0.000 0.550 558 A N 1.994 124.933 122.820 0.198 0.000 2.466 558 A HA 0.268 4.585 4.320 -0.005 0.000 0.238 558 A C 0.591 178.300 177.584 0.210 0.000 1.074 558 A CA -0.054 52.062 52.037 0.133 0.000 0.774 558 A CB -0.018 19.036 19.000 0.090 0.000 1.015 558 A HN 0.919 nan 8.150 nan 0.000 0.498 559 M N 0.623 120.288 119.600 0.108 0.000 2.306 559 M HA 0.249 4.726 4.480 -0.005 0.000 0.292 559 M C 0.850 177.176 176.300 0.044 0.000 1.018 559 M CA 0.937 56.298 55.300 0.102 0.000 1.007 559 M CB 0.244 32.891 32.600 0.079 0.000 1.510 559 M HN 0.946 nan 8.290 nan 0.000 0.537 560 S N 0.179 115.897 115.700 0.030 0.000 2.840 560 S HA 0.874 5.341 4.470 -0.005 0.000 0.307 560 S C -0.478 174.129 174.600 0.011 0.000 1.180 560 S CA -0.684 57.522 58.200 0.010 0.000 0.846 560 S CB 0.613 63.813 63.200 -0.000 0.000 1.233 560 S HN 0.155 nan 8.310 nan 0.000 0.548 561 A N -0.688 122.133 122.820 0.002 0.000 2.313 561 A HA 0.872 5.189 4.320 -0.005 0.000 0.261 561 A C 0.867 178.453 177.584 0.004 0.000 1.090 561 A CA 0.393 52.432 52.037 0.002 0.000 0.807 561 A CB -0.391 18.607 19.000 -0.003 0.000 1.055 561 A HN 2.711 nan 8.150 nan 0.000 0.492 562 G N 0.454 109.257 108.800 0.005 0.000 2.674 562 G HA2 0.081 4.038 3.960 -0.005 0.000 0.686 562 G HA3 0.081 4.038 3.960 -0.005 0.000 0.686 562 G C -0.200 174.704 174.900 0.006 0.000 1.195 562 G CA 0.126 45.228 45.100 0.004 0.000 0.776 562 G HN 0.675 nan 8.290 nan 0.000 0.654 563 D N 0.593 120.996 120.400 0.005 0.000 2.204 563 D HA -0.131 4.506 4.640 -0.005 0.000 0.189 563 D C 1.595 177.898 176.300 0.005 0.000 1.006 563 D CA 2.007 56.010 54.000 0.005 0.000 0.855 563 D CB 0.069 40.871 40.800 0.003 0.000 0.946 563 D HN 0.498 nan 8.370 nan 0.000 0.448 564 D N -0.100 120.302 120.400 0.003 0.000 2.340 564 D HA 0.267 4.905 4.640 -0.005 0.000 0.217 564 D C 0.280 176.581 176.300 0.002 0.000 1.081 564 D CA -0.001 54.000 54.000 0.002 0.000 0.842 564 D CB -0.106 40.694 40.800 0.000 0.000 0.934 564 D HN 0.135 nan 8.370 nan 0.000 0.511 565 A N 0.600 123.423 122.820 0.005 0.000 2.567 565 A HA -0.068 4.250 4.320 -0.005 0.000 0.236 565 A C 0.851 178.437 177.584 0.004 0.000 1.088 565 A CA 0.151 52.192 52.037 0.006 0.000 0.776 565 A CB 0.245 19.253 19.000 0.012 0.000 1.033 565 A HN 0.079 nan 8.150 nan 0.000 0.513 566 Q N -0.434 119.368 119.800 0.003 0.000 2.392 566 Q HA 0.384 4.721 4.340 -0.005 0.000 0.262 566 Q C 0.117 176.112 176.000 -0.010 0.000 1.003 566 Q CA 0.577 56.378 55.803 -0.004 0.000 0.888 566 Q CB 1.000 29.738 28.738 0.000 0.000 1.260 566 Q HN 0.806 nan 8.270 nan 0.000 0.435 567 A N 1.160 123.959 122.820 -0.036 0.000 2.324 567 A HA 0.702 5.019 4.320 -0.005 0.000 0.330 567 A C -0.826 176.664 177.584 -0.156 0.000 1.165 567 A CA -0.484 51.508 52.037 -0.076 0.000 0.813 567 A CB 1.285 20.253 19.000 -0.054 0.000 1.197 567 A HN 0.693 nan 8.150 nan 0.000 0.484 568 A N 1.305 123.933 122.820 -0.320 0.000 2.276 568 A HA 0.738 5.055 4.320 -0.005 0.000 0.316 568 A C 0.174 177.411 177.584 -0.577 0.000 1.229 568 A CA 0.161 51.899 52.037 -0.499 0.000 0.851 568 A CB 0.455 19.097 19.000 -0.596 0.000 1.165 568 A HN 2.088 nan 8.150 nan 0.000 0.513 569 A N 2.143 124.640 122.820 -0.539 0.000 2.365 569 A HA 0.790 5.108 4.320 -0.005 0.000 0.318 569 A C -1.420 175.873 177.584 -0.484 0.000 1.091 569 A CA -0.423 51.404 52.037 -0.349 0.000 0.763 569 A CB 0.763 19.755 19.000 -0.013 0.000 1.248 569 A HN 0.787 nan 8.150 nan 0.000 0.442 570 Y N 0.804 121.196 120.300 0.154 0.000 2.338 570 Y HA 0.539 5.086 4.550 -0.005 0.000 0.333 570 Y C -0.288 175.909 175.900 0.495 0.000 0.968 570 Y CA -0.839 57.458 58.100 0.327 0.000 1.123 570 Y CB 2.270 40.910 38.460 0.299 0.000 1.165 570 Y HN 0.384 nan 8.280 nan 0.000 0.452 571 V N 3.042 123.304 119.914 0.582 0.000 2.487 571 V HA 0.339 4.456 4.120 -0.005 0.000 0.298 571 V C -0.558 175.546 176.094 0.016 0.000 1.028 571 V CA -1.022 61.467 62.300 0.315 0.000 0.860 571 V CB 1.898 33.844 31.823 0.204 0.000 0.991 571 V HN 0.750 nan 8.190 nan 0.000 0.427 572 E N 2.972 122.859 120.200 -0.522 0.000 2.156 572 E HA 0.750 5.097 4.350 -0.005 0.000 0.279 572 E C -0.666 175.701 176.600 -0.388 0.000 0.965 572 E CA -0.385 55.473 56.400 -0.904 0.000 0.789 572 E CB 1.649 30.387 29.700 -1.604 0.000 1.098 572 E HN 0.884 nan 8.360 nan 0.000 0.397 573 A N 2.755 125.417 122.820 -0.263 0.000 2.515 573 A HA 0.477 4.794 4.320 -0.005 0.000 0.298 573 A C -0.779 176.745 177.584 -0.101 0.000 1.059 573 A CA -0.791 51.164 52.037 -0.137 0.000 0.698 573 A CB 1.641 20.595 19.000 -0.077 0.000 1.289 573 A HN 0.602 nan 8.150 nan 0.000 0.404 574 S N 0.613 116.274 115.700 -0.064 0.000 2.489 574 S HA 0.611 5.078 4.470 -0.005 0.000 0.277 574 S C -0.438 174.156 174.600 -0.010 0.000 1.230 574 S CA -0.492 57.689 58.200 -0.033 0.000 1.053 574 S CB 0.873 64.060 63.200 -0.022 0.000 0.955 574 S HN 1.043 nan 8.310 nan 0.000 0.488 575 V N 3.733 123.651 119.914 0.007 0.000 2.407 575 V HA 0.507 4.624 4.120 -0.005 0.000 0.291 575 V C -0.214 175.912 176.094 0.054 0.000 1.018 575 V CA -0.567 61.756 62.300 0.038 0.000 0.842 575 V CB 1.427 33.275 31.823 0.041 0.000 0.996 575 V HN 1.052 nan 8.190 nan 0.000 0.426 576 T N 3.633 118.223 114.554 0.059 0.000 2.807 576 T HA 0.865 5.212 4.350 -0.005 0.000 0.279 576 T C 0.289 175.006 174.700 0.029 0.000 0.993 576 T CA 0.499 62.621 62.100 0.037 0.000 0.970 576 T CB 1.291 70.166 68.868 0.013 0.000 0.950 576 T HN 1.709 nan 8.240 nan 0.000 0.441 616 K N 0.631 121.041 120.400 0.017 0.000 2.143 616 K HA 0.890 5.207 4.320 -0.005 0.000 0.272 616 K C 0.090 176.694 176.600 0.007 0.000 1.001 616 K CA -0.302 55.995 56.287 0.017 0.000 0.915 616 K CB 0.688 33.202 32.500 0.023 0.000 1.047 616 K HN 0.548 nan 8.250 nan 0.000 0.458 617 T N 1.843 116.400 114.554 0.005 0.000 2.767 617 T HA 0.575 4.922 4.350 -0.005 0.000 0.284 617 T C -0.303 174.390 174.700 -0.013 0.000 0.973 617 T CA -0.236 61.850 62.100 -0.023 0.000 0.996 617 T CB 0.373 69.226 68.868 -0.026 0.000 0.927 617 T HN 0.920 nan 8.240 nan 0.000 0.456 618 V N 0.607 120.486 119.914 -0.058 0.000 3.012 618 V HA 0.721 4.838 4.120 -0.005 0.000 0.307 618 V C -1.618 174.459 176.094 -0.028 0.000 1.166 618 V CA -1.606 60.708 62.300 0.023 0.000 0.974 618 V CB 1.556 33.407 31.823 0.047 0.000 1.040 618 V HN 0.864 nan 8.190 nan 0.000 0.428 619 W N 1.131 122.537 121.300 0.176 0.000 2.376 619 W HA 0.791 5.448 4.660 -0.004 0.000 0.322 619 W C 0.700 177.370 176.519 0.251 0.000 1.160 619 W CA 0.281 57.759 57.345 0.222 0.000 1.218 619 W CB 1.977 31.588 29.460 0.252 0.000 1.205 619 W HN 1.045 nan 8.180 nan 0.000 0.559 620 G N 0.946 110.018 108.800 0.454 0.000 2.482 620 G HA2 0.655 4.612 3.960 -0.005 0.000 0.317 620 G HA3 0.655 4.612 3.960 -0.005 0.000 0.317 620 G C -1.904 173.174 174.900 0.297 0.000 1.241 620 G CA -0.762 44.542 45.100 0.340 0.000 0.967 620 G HN 0.289 nan 8.290 nan 0.000 0.482 621 V N 0.517 120.522 119.914 0.153 0.000 2.487 621 V HA 0.824 4.941 4.120 -0.005 0.000 0.298 621 V C 0.530 176.589 176.094 -0.058 0.000 1.028 621 V CA -0.457 61.828 62.300 -0.026 0.000 0.860 621 V CB 1.637 33.416 31.823 -0.074 0.000 0.991 621 V HN 1.038 nan 8.190 nan 0.000 0.427 622 G N 4.501 113.218 108.800 -0.138 0.000 2.530 622 G HA2 0.787 4.744 3.960 -0.005 0.000 0.316 622 G HA3 0.787 4.744 3.960 -0.005 0.000 0.316 622 G C -1.147 173.667 174.900 -0.144 0.000 1.298 622 G CA -0.506 44.532 45.100 -0.104 0.000 0.948 622 G HN 0.599 nan 8.290 nan 0.000 0.486 623 I N 1.545 122.068 120.570 -0.078 0.000 2.418 623 I HA 0.685 4.852 4.170 -0.005 0.000 0.287 623 I C 0.087 176.180 176.117 -0.040 0.000 1.008 623 I CA -0.662 60.601 61.300 -0.061 0.000 1.104 623 I CB 1.967 39.971 38.000 0.008 0.000 1.264 623 I HN 0.666 nan 8.210 nan 0.000 0.438 624 A N 6.982 129.773 122.820 -0.047 0.000 2.610 624 A HA 0.734 5.051 4.320 -0.005 0.000 0.291 624 A C -2.591 174.975 177.584 -0.030 0.000 1.086 624 A CA -1.068 50.947 52.037 -0.037 0.000 0.677 624 A CB 1.443 20.412 19.000 -0.051 0.000 1.278 624 A HN 0.437 nan 8.150 nan 0.000 0.414 625 P HA 0.052 nan 4.420 nan 0.000 0.237 625 P C 0.423 177.711 177.300 -0.020 0.000 1.178 625 P CA 1.111 64.201 63.100 -0.017 0.000 0.766 625 P CB 0.341 32.034 31.700 -0.012 0.000 0.876 626 S N -1.146 114.537 115.700 -0.028 0.000 2.532 626 S HA 0.399 4.866 4.470 -0.005 0.000 0.301 626 S C 1.064 175.647 174.600 -0.028 0.000 1.083 626 S CA -0.763 57.420 58.200 -0.028 0.000 1.025 626 S CB 0.633 63.810 63.200 -0.039 0.000 1.056 626 S HN -0.192 nan 8.310 nan 0.000 0.494 627 I N 2.866 123.427 120.570 -0.015 0.000 2.286 627 I HA -0.157 4.010 4.170 -0.005 0.000 0.248 627 I C 2.169 178.284 176.117 -0.004 0.000 1.115 627 I CA 1.332 62.635 61.300 0.004 0.000 1.392 627 I CB -0.307 37.708 38.000 0.026 0.000 1.065 627 I HN 0.673 nan 8.210 nan 0.000 0.418 628 T N -0.477 114.056 114.554 -0.035 0.000 2.732 628 T HA -0.123 4.224 4.350 -0.005 0.000 0.261 628 T C 1.891 176.531 174.700 -0.101 0.000 1.040 628 T CA 1.906 63.965 62.100 -0.069 0.000 1.145 628 T CB -0.475 68.345 68.868 -0.080 0.000 0.866 628 T HN 0.311 nan 8.240 nan 0.000 0.427 629 T N 2.326 116.821 114.554 -0.099 0.000 2.746 629 T HA 0.010 4.357 4.350 -0.005 0.000 0.267 629 T C 2.451 177.083 174.700 -0.113 0.000 1.039 629 T CA 1.070 63.094 62.100 -0.126 0.000 1.142 629 T CB -0.653 68.156 68.868 -0.098 0.000 0.866 629 T HN 0.411 nan 8.240 nan 0.000 0.444 630 A N 2.162 124.935 122.820 -0.078 0.000 1.892 630 A HA -0.184 4.133 4.320 -0.005 0.000 0.218 630 A C 2.633 180.183 177.584 -0.056 0.000 1.188 630 A CA 2.574 54.567 52.037 -0.073 0.000 0.631 630 A CB -1.157 17.799 19.000 -0.072 0.000 0.822 630 A HN 0.623 nan 8.150 nan 0.000 0.447 631 S N -0.090 115.597 115.700 -0.022 0.000 2.382 631 S HA -0.093 4.375 4.470 -0.005 0.000 0.228 631 S C 1.929 176.499 174.600 -0.050 0.000 1.027 631 S CA 1.447 59.662 58.200 0.026 0.000 0.991 631 S CB -0.730 62.491 63.200 0.036 0.000 0.823 631 S HN 0.470 nan 8.310 nan 0.000 0.469 632 L N 0.825 121.949 121.223 -0.165 0.000 2.056 632 L HA -0.033 4.305 4.340 -0.005 0.000 0.207 632 L C 3.128 179.872 176.870 -0.209 0.000 1.078 632 L CA 1.519 56.151 54.840 -0.346 0.000 0.749 632 L CB -0.596 41.077 42.059 -0.643 0.000 0.901 632 L HN 0.320 nan 8.230 nan 0.000 0.433 633 R N 0.296 120.709 120.500 -0.145 0.000 2.120 633 R HA -0.103 4.234 4.340 -0.005 0.000 0.234 633 R C 2.448 178.738 176.300 -0.018 0.000 1.123 633 R CA 1.190 57.245 56.100 -0.075 0.000 0.975 633 R CB -0.513 29.743 30.300 -0.073 0.000 0.866 633 R HN 0.336 nan 8.270 nan 0.000 0.446 634 A N 0.896 123.713 122.820 -0.005 0.000 1.933 634 A HA -0.112 4.205 4.320 -0.005 0.000 0.218 634 A C 2.351 179.987 177.584 0.087 0.000 1.175 634 A CA 1.394 53.460 52.037 0.047 0.000 0.628 634 A CB -0.424 18.620 19.000 0.075 0.000 0.814 634 A HN 0.116 nan 8.150 nan 0.000 0.444 635 V N -0.476 119.496 119.914 0.097 0.000 2.358 635 V HA -0.201 3.916 4.120 -0.005 0.000 0.246 635 V C 2.554 178.701 176.094 0.088 0.000 1.047 635 V CA 1.814 64.188 62.300 0.124 0.000 1.035 635 V CB -0.829 31.146 31.823 0.253 0.000 0.658 635 V HN 0.364 nan 8.190 nan 0.000 0.452 636 V N -0.117 119.870 119.914 0.122 0.000 2.287 636 V HA -0.289 3.829 4.120 -0.005 0.000 0.248 636 V C 2.702 178.777 176.094 -0.032 0.000 1.053 636 V CA 2.451 64.773 62.300 0.037 0.000 1.027 636 V CB -0.854 31.003 31.823 0.058 0.000 0.646 636 V HN 0.621 nan 8.190 nan 0.000 0.447 637 S N -0.145 115.554 115.700 -0.002 0.000 2.353 637 S HA -0.254 4.213 4.470 -0.005 0.000 0.222 637 S C 2.164 176.770 174.600 0.009 0.000 1.035 637 S CA 1.921 60.121 58.200 -0.000 0.000 1.025 637 S CB -0.460 62.766 63.200 0.043 0.000 0.902 637 S HN 0.637 nan 8.310 nan 0.000 0.440 638 A N 0.875 123.723 122.820 0.046 0.000 1.873 638 A HA -0.073 4.244 4.320 -0.005 0.000 0.218 638 A C 2.399 179.965 177.584 -0.030 0.000 1.193 638 A CA 2.103 54.164 52.037 0.041 0.000 0.629 638 A CB -1.299 17.726 19.000 0.042 0.000 0.826 638 A HN 0.486 nan 8.150 nan 0.000 0.447 639 V N 0.984 120.842 119.914 -0.094 0.000 2.332 639 V HA -0.270 3.847 4.120 -0.005 0.000 0.248 639 V C 2.207 178.205 176.094 -0.160 0.000 1.055 639 V CA 2.211 64.396 62.300 -0.193 0.000 1.038 639 V CB -0.946 30.614 31.823 -0.439 0.000 0.651 639 V HN 0.573 nan 8.190 nan 0.000 0.450 640 N N -0.266 118.351 118.700 -0.139 0.000 2.331 640 N HA -0.057 4.680 4.740 -0.005 0.000 0.180 640 N C 1.949 177.409 175.510 -0.084 0.000 1.019 640 N CA 0.850 53.837 53.050 -0.104 0.000 0.881 640 N CB -0.269 38.158 38.487 -0.101 0.000 0.972 640 N HN 0.467 nan 8.380 nan 0.000 0.435 641 R N 0.816 121.264 120.500 -0.086 0.000 2.066 641 R HA 0.080 4.417 4.340 -0.005 0.000 0.232 641 R C 1.970 178.245 176.300 -0.041 0.000 1.131 641 R CA 1.056 57.101 56.100 -0.091 0.000 0.955 641 R CB -0.331 29.911 30.300 -0.097 0.000 0.851 641 R HN 0.130 nan 8.270 nan 0.000 0.432 642 A N 0.865 123.674 122.820 -0.018 0.000 2.194 642 A HA -0.043 4.274 4.320 -0.005 0.000 0.220 642 A C 1.041 178.637 177.584 0.020 0.000 1.162 642 A CA 1.623 53.665 52.037 0.010 0.000 0.674 642 A CB -0.261 18.754 19.000 0.024 0.000 0.789 642 A HN 0.407 nan 8.150 nan 0.000 0.470 643 A N 0.000 122.825 122.820 0.008 0.000 2.254 643 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 643 A CA 0.000 52.051 52.037 0.024 0.000 0.836 643 A CB 0.000 19.034 19.000 0.057 0.000 0.831 643 A HN 0.000 nan 8.150 nan 0.000 0.486