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 2buh_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 K N 2.044 122.450 120.400 0.009 0.000 2.485 2 K HA 0.219 4.539 4.320 -0.000 0.000 0.277 2 K C 0.010 176.613 176.600 0.004 0.000 0.990 2 K CA 0.778 57.068 56.287 0.005 0.000 0.994 2 K CB 0.491 32.992 32.500 0.001 0.000 0.906 2 K HN 0.242 nan 8.250 nan 0.000 0.488 3 R N 1.128 121.629 120.500 0.000 0.000 2.474 3 R HA 0.648 4.988 4.340 -0.000 0.000 0.295 3 R C -0.808 175.483 176.300 -0.014 0.000 0.980 3 R CA -0.869 55.230 56.100 -0.002 0.000 0.934 3 R CB 1.871 32.170 30.300 -0.001 0.000 1.101 3 R HN 0.623 nan 8.270 nan 0.000 0.469 4 A N 2.312 125.119 122.820 -0.020 0.000 2.331 4 A HA 0.644 4.964 4.320 -0.000 0.000 0.320 4 A C -0.424 177.135 177.584 -0.040 0.000 1.138 4 A CA -0.675 51.337 52.037 -0.041 0.000 0.790 4 A CB 1.176 20.143 19.000 -0.055 0.000 1.206 4 A HN 0.543 nan 8.150 nan 0.000 0.470 5 V N 0.161 120.045 119.914 -0.049 0.000 3.074 5 V HA 0.750 4.870 4.120 -0.000 0.000 0.314 5 V C -0.519 175.547 176.094 -0.047 0.000 1.117 5 V CA -0.977 61.298 62.300 -0.041 0.000 1.014 5 V CB 1.697 33.497 31.823 -0.038 0.000 1.057 5 V HN 0.700 nan 8.190 nan 0.000 0.438 6 I N 2.516 123.075 120.570 -0.018 0.000 2.321 6 I HA 0.428 4.598 4.170 -0.000 0.000 0.291 6 I C 1.064 177.240 176.117 0.098 0.000 0.998 6 I CA 0.057 61.362 61.300 0.010 0.000 1.227 6 I CB 2.011 40.012 38.000 0.001 0.000 1.368 6 I HN 0.997 nan 8.210 nan 0.000 0.466 7 T N 0.650 115.249 114.554 0.076 0.000 3.040 7 T HA 0.395 4.745 4.350 -0.000 0.000 0.266 7 T C 0.433 175.267 174.700 0.224 0.000 1.005 7 T CA -0.340 61.817 62.100 0.094 0.000 0.906 7 T CB 0.564 69.436 68.868 0.007 0.000 1.082 7 T HN 0.709 nan 8.240 nan 0.000 0.531 8 G N 1.403 110.343 108.800 0.234 0.000 2.703 8 G HA2 0.584 4.544 3.960 -0.000 0.000 0.294 8 G HA3 0.584 4.544 3.960 -0.000 0.000 0.294 8 G C -1.980 172.956 174.900 0.060 0.000 1.451 8 G CA -0.981 44.256 45.100 0.228 0.000 0.869 8 G HN 0.612 nan 8.290 nan 0.000 0.516 9 L N -1.059 120.175 121.223 0.019 0.000 2.415 9 L HA 1.064 5.403 4.340 -0.000 0.000 0.256 9 L C -0.060 176.780 176.870 -0.050 0.000 1.010 9 L CA -0.983 53.800 54.840 -0.095 0.000 0.826 9 L CB 1.956 43.859 42.059 -0.260 0.000 1.405 9 L HN 1.176 nan 8.230 nan 0.000 0.410 10 G N 0.810 109.570 108.800 -0.067 0.000 2.746 10 G HA2 0.751 4.711 3.960 -0.000 0.000 0.297 10 G HA3 0.751 4.711 3.960 -0.000 0.000 0.297 10 G C -2.074 172.797 174.900 -0.050 0.000 1.426 10 G CA -0.591 44.480 45.100 -0.048 0.000 0.989 10 G HN 1.013 nan 8.290 nan 0.000 0.520 11 I N 0.716 121.270 120.570 -0.027 0.000 2.842 11 I HA 0.644 4.814 4.170 -0.000 0.000 0.297 11 I C -1.552 174.559 176.117 -0.010 0.000 1.380 11 I CA -0.964 60.320 61.300 -0.026 0.000 1.018 11 I CB 2.384 40.367 38.000 -0.029 0.000 1.311 11 I HN 0.364 nan 8.210 nan 0.000 0.439 12 V N 6.172 126.068 119.914 -0.030 0.000 2.445 12 V HA 0.548 4.668 4.120 -0.000 0.000 0.283 12 V C -0.383 175.629 176.094 -0.137 0.000 1.014 12 V CA -0.212 62.050 62.300 -0.064 0.000 0.852 12 V CB 1.298 33.094 31.823 -0.045 0.000 1.021 12 V HN 0.830 nan 8.190 nan 0.000 0.435 13 S N 2.169 117.814 115.700 -0.092 0.000 2.697 13 S HA 0.487 4.957 4.470 -0.000 0.000 0.289 13 S C 1.123 175.672 174.600 -0.086 0.000 1.149 13 S CA 0.067 58.219 58.200 -0.081 0.000 0.850 13 S CB 1.801 65.033 63.200 0.054 0.000 1.151 13 S HN 0.884 nan 8.310 nan 0.000 0.491 14 S N 0.287 115.944 115.700 -0.071 0.000 2.469 14 S HA -0.071 4.399 4.470 -0.000 0.000 0.238 14 S C 1.366 175.947 174.600 -0.031 0.000 0.998 14 S CA 0.988 59.150 58.200 -0.063 0.000 0.957 14 S CB -1.128 62.047 63.200 -0.041 0.000 0.764 14 S HN 1.001 nan 8.310 nan 0.000 0.514 15 I N -2.470 118.088 120.570 -0.019 0.000 3.927 15 I HA 0.685 4.855 4.170 -0.000 0.000 0.332 15 I C 0.519 176.627 176.117 -0.014 0.000 1.485 15 I CA -0.400 60.884 61.300 -0.027 0.000 1.131 15 I CB 0.167 38.127 38.000 -0.068 0.000 1.092 15 I HN 0.282 nan 8.210 nan 0.000 0.410 16 G N 1.215 110.011 108.800 -0.007 0.000 2.322 16 G HA2 -0.012 3.947 3.960 -0.000 0.000 0.289 16 G HA3 -0.012 3.947 3.960 -0.000 0.000 0.289 16 G C -0.774 174.126 174.900 0.000 0.000 1.687 16 G CA -0.705 44.395 45.100 0.000 0.000 0.944 16 G HN 0.046 nan 8.290 nan 0.000 0.718 17 N N 0.295 118.994 118.700 -0.000 0.000 2.322 17 N HA 0.096 4.836 4.740 -0.000 0.000 0.194 17 N C 0.389 175.907 175.510 0.014 0.000 1.126 17 N CA 0.753 53.805 53.050 0.003 0.000 0.845 17 N CB 0.269 38.761 38.487 0.008 0.000 0.976 17 N HN 0.858 nan 8.380 nan 0.000 0.475 18 N N -1.768 116.942 118.700 0.018 0.000 3.185 18 N HA -0.037 4.703 4.740 -0.000 0.000 0.238 18 N C 0.359 175.888 175.510 0.031 0.000 1.451 18 N CA -0.691 52.372 53.050 0.023 0.000 0.888 18 N CB 0.529 39.029 38.487 0.022 0.000 1.413 18 N HN -0.158 nan 8.380 nan 0.000 0.511 19 Q N -1.071 118.753 119.800 0.039 0.000 2.226 19 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 19 Q C 0.783 176.809 176.000 0.043 0.000 0.975 19 Q CA 1.533 57.370 55.803 0.057 0.000 0.866 19 Q CB -0.264 28.519 28.738 0.075 0.000 0.915 19 Q HN 0.634 nan 8.270 nan 0.000 0.440 20 Q N 1.238 121.053 119.800 0.025 0.000 2.046 20 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 20 Q C 1.814 177.799 176.000 -0.023 0.000 0.975 20 Q CA 1.927 57.725 55.803 -0.008 0.000 0.836 20 Q CB 0.000 28.735 28.738 -0.005 0.000 0.896 20 Q HN 0.563 nan 8.270 nan 0.000 0.428 21 E N -0.551 119.644 120.200 -0.008 0.000 2.058 21 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 21 E C 1.955 178.546 176.600 -0.016 0.000 0.997 21 E CA 1.408 57.799 56.400 -0.014 0.000 0.801 21 E CB -0.048 29.649 29.700 -0.004 0.000 0.746 21 E HN 0.109 nan 8.360 nan 0.000 0.450 22 V N 1.413 121.333 119.914 0.011 0.000 2.343 22 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 22 V C 2.298 178.398 176.094 0.010 0.000 1.051 22 V CA 1.371 63.687 62.300 0.028 0.000 1.036 22 V CB -0.408 31.484 31.823 0.115 0.000 0.654 22 V HN 0.239 nan 8.190 nan 0.000 0.451 23 L N 1.174 122.400 121.223 0.004 0.000 1.990 23 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 23 L C 2.484 179.281 176.870 -0.122 0.000 1.072 23 L CA 2.609 57.426 54.840 -0.038 0.000 0.755 23 L CB -1.081 40.889 42.059 -0.147 0.000 0.889 23 L HN 0.224 nan 8.230 nan 0.000 0.432 24 A N -1.317 121.428 122.820 -0.124 0.000 1.883 24 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 24 A C 2.386 179.901 177.584 -0.115 0.000 1.186 24 A CA 2.296 54.252 52.037 -0.135 0.000 0.624 24 A CB -1.161 17.782 19.000 -0.096 0.000 0.822 24 A HN 0.584 nan 8.150 nan 0.000 0.444 25 S N -0.101 115.550 115.700 -0.082 0.000 2.359 25 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 25 S C 1.849 176.400 174.600 -0.082 0.000 1.035 25 S CA 1.544 59.698 58.200 -0.076 0.000 1.018 25 S CB -0.534 62.623 63.200 -0.072 0.000 0.876 25 S HN 0.506 nan 8.310 nan 0.000 0.448 26 L N 0.824 122.006 121.223 -0.068 0.000 2.012 26 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 26 L C 2.769 179.646 176.870 0.012 0.000 1.073 26 L CA 1.416 56.257 54.840 0.001 0.000 0.748 26 L CB -0.473 41.683 42.059 0.162 0.000 0.891 26 L HN 0.217 nan 8.230 nan 0.000 0.431 27 R N -0.011 120.387 120.500 -0.170 0.000 2.120 27 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 27 R C 1.922 178.130 176.300 -0.154 0.000 1.123 27 R CA 1.339 57.249 56.100 -0.315 0.000 0.975 27 R CB -0.079 29.910 30.300 -0.519 0.000 0.866 27 R HN 0.476 nan 8.270 nan 0.000 0.446 28 E N -1.153 118.978 120.200 -0.115 0.000 2.474 28 E HA 0.076 4.426 4.350 -0.000 0.000 0.194 28 E C 0.695 177.266 176.600 -0.049 0.000 1.041 28 E CA 0.341 56.694 56.400 -0.077 0.000 0.874 28 E CB 0.681 30.337 29.700 -0.073 0.000 0.914 28 E HN 0.474 nan 8.360 nan 0.000 0.498 29 G N 2.738 111.513 108.800 -0.042 0.000 2.179 29 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.257 29 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.257 29 G C 0.176 175.056 174.900 -0.034 0.000 1.010 29 G CA 0.317 45.400 45.100 -0.030 0.000 0.736 29 G HN 0.225 nan 8.290 nan 0.000 0.513 30 R N 0.623 121.097 120.500 -0.043 0.000 2.449 30 R HA 0.395 4.735 4.340 -0.000 0.000 0.296 30 R C 0.834 177.113 176.300 -0.035 0.000 1.047 30 R CA 0.551 56.630 56.100 -0.035 0.000 1.018 30 R CB 0.340 30.617 30.300 -0.038 0.000 0.962 30 R HN 0.310 nan 8.270 nan 0.000 0.428 31 S N 2.008 117.698 115.700 -0.017 0.000 2.584 31 S HA 0.287 4.757 4.470 -0.000 0.000 0.273 31 S C 0.811 175.414 174.600 0.004 0.000 1.311 31 S CA -0.220 57.976 58.200 -0.007 0.000 1.034 31 S CB 1.406 64.612 63.200 0.009 0.000 0.939 31 S HN 0.763 nan 8.310 nan 0.000 0.513 32 G N 3.725 112.531 108.800 0.009 0.000 3.575 32 G HA2 0.264 4.224 3.960 -0.000 0.000 0.273 32 G HA3 0.264 4.224 3.960 -0.000 0.000 0.273 32 G C 0.037 174.973 174.900 0.061 0.000 1.053 32 G CA -0.282 44.830 45.100 0.021 0.000 0.803 32 G HN 0.613 nan 8.290 nan 0.000 0.528 33 I N 2.496 123.116 120.570 0.083 0.000 2.396 33 I HA 0.413 4.583 4.170 -0.000 0.000 0.292 33 I C 0.571 176.793 176.117 0.175 0.000 0.999 33 I CA -0.246 61.139 61.300 0.142 0.000 1.310 33 I CB 0.728 38.802 38.000 0.123 0.000 1.404 33 I HN 0.090 nan 8.210 nan 0.000 0.496 34 T N 2.411 117.126 114.554 0.268 0.000 2.865 34 T HA 0.534 4.884 4.350 -0.000 0.000 0.294 34 T C -0.587 174.262 174.700 0.248 0.000 1.119 34 T CA -0.720 61.541 62.100 0.268 0.000 1.007 34 T CB 1.869 70.912 68.868 0.292 0.000 1.225 34 T HN 0.220 nan 8.240 nan 0.000 0.515 35 F N 1.653 121.644 119.950 0.068 0.000 2.443 35 F HA 0.574 5.101 4.527 -0.000 0.000 0.353 35 F C 0.432 176.129 175.800 -0.171 0.000 1.101 35 F CA -0.189 57.791 58.000 -0.034 0.000 1.226 35 F CB 0.998 39.992 39.000 -0.009 0.000 1.140 35 F HN 0.680 nan 8.300 nan 0.000 0.557 36 S N 4.923 119.824 115.700 -1.331 0.000 2.566 36 S HA 0.191 4.661 4.470 -0.000 0.000 0.324 36 S C 0.537 174.333 174.600 -1.340 0.000 1.081 36 S CA -0.660 56.699 58.200 -1.402 0.000 1.105 36 S CB 1.275 63.111 63.200 -2.273 0.000 0.981 36 S HN 0.883 nan 8.310 nan 0.000 0.464 37 Q N 3.399 122.750 119.800 -0.749 0.000 2.167 37 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 37 Q C 1.761 177.530 176.000 -0.385 0.000 0.970 37 Q CA 2.135 57.700 55.803 -0.398 0.000 0.855 37 Q CB -0.140 28.572 28.738 -0.043 0.000 0.911 37 Q HN 0.910 nan 8.270 nan 0.000 0.438 38 E N -0.456 119.521 120.200 -0.373 0.000 2.038 38 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 38 E C 1.808 178.240 176.600 -0.281 0.000 1.000 38 E CA 1.380 57.648 56.400 -0.221 0.000 0.803 38 E CB -0.193 29.502 29.700 -0.009 0.000 0.750 38 E HN 0.451 nan 8.360 nan 0.000 0.448 39 L N 0.656 121.605 121.223 -0.456 0.000 2.017 39 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 39 L C 2.884 179.570 176.870 -0.307 0.000 1.073 39 L CA 1.605 56.273 54.840 -0.288 0.000 0.745 39 L CB -0.586 41.268 42.059 -0.340 0.000 0.894 39 L HN 0.173 nan 8.230 nan 0.000 0.432 40 K N 0.327 120.403 120.400 -0.540 0.000 2.032 40 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 40 K C 1.629 178.003 176.600 -0.376 0.000 1.048 40 K CA 1.915 57.789 56.287 -0.689 0.000 0.927 40 K CB -0.019 32.002 32.500 -0.799 0.000 0.712 40 K HN 0.211 nan 8.250 nan 0.000 0.441 41 D N 0.184 120.398 120.400 -0.311 0.000 2.263 41 D HA -0.111 4.529 4.640 -0.000 0.000 0.208 41 D C 1.829 177.946 176.300 -0.304 0.000 0.971 41 D CA 1.343 55.193 54.000 -0.251 0.000 0.867 41 D CB -0.049 40.623 40.800 -0.213 0.000 0.929 41 D HN 0.367 nan 8.370 nan 0.000 0.492 42 S N -0.811 114.672 115.700 -0.361 0.000 2.522 42 S HA 0.150 4.620 4.470 -0.000 0.000 0.227 42 S C 1.726 176.152 174.600 -0.290 0.000 0.986 42 S CA 0.835 58.736 58.200 -0.500 0.000 0.929 42 S CB 0.162 63.063 63.200 -0.499 0.000 0.769 42 S HN 0.296 nan 8.310 nan 0.000 0.529 43 G N 0.624 109.318 108.800 -0.177 0.000 2.144 43 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 43 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 43 G C -0.035 174.864 174.900 -0.002 0.000 0.988 43 G CA 0.126 45.176 45.100 -0.085 0.000 0.659 43 G HN 0.490 nan 8.290 nan 0.000 0.522 44 M N -0.721 118.896 119.600 0.027 0.000 2.227 44 M HA 0.454 4.934 4.480 -0.000 0.000 0.316 44 M C 1.825 178.235 176.300 0.183 0.000 1.144 44 M CA -0.203 55.156 55.300 0.098 0.000 1.121 44 M CB 0.670 33.335 32.600 0.109 0.000 1.440 44 M HN 0.132 nan 8.290 nan 0.000 0.473 45 R N -0.421 120.122 120.500 0.071 0.000 2.189 45 R HA 0.112 4.452 4.340 -0.000 0.000 0.203 45 R C 0.449 176.588 176.300 -0.269 0.000 1.012 45 R CA 0.216 56.280 56.100 -0.060 0.000 1.015 45 R CB 0.283 30.553 30.300 -0.050 0.000 0.938 45 R HN 0.557 nan 8.270 nan 0.000 0.472 46 S N 0.484 116.131 115.700 -0.089 0.000 2.465 46 S HA 0.121 4.591 4.470 -0.000 0.000 0.279 46 S C -0.115 174.504 174.600 0.031 0.000 1.201 46 S CA -0.521 57.623 58.200 -0.093 0.000 1.053 46 S CB 0.291 63.469 63.200 -0.037 0.000 0.953 46 S HN 0.337 nan 8.310 nan 0.000 0.488 47 H N 2.936 121.945 119.070 -0.102 0.000 2.475 47 H HA 0.349 4.905 4.556 -0.000 0.000 0.276 47 H C -0.036 175.061 175.328 -0.384 0.000 1.126 47 H CA -0.609 55.268 56.048 -0.286 0.000 1.023 47 H CB 0.527 30.200 29.762 -0.149 0.000 1.669 47 H HN 0.455 nan 8.280 nan 0.000 0.573 48 V N -1.899 117.953 119.914 -0.103 0.000 2.962 48 V HA 0.658 4.778 4.120 -0.000 0.000 0.313 48 V C -1.476 174.674 176.094 0.093 0.000 1.099 48 V CA -0.928 61.342 62.300 -0.050 0.000 0.971 48 V CB 2.330 34.211 31.823 0.096 0.000 1.028 48 V HN 0.394 nan 8.190 nan 0.000 0.430 49 W N 1.060 122.378 121.300 0.029 0.000 3.059 49 W HA 0.821 5.481 4.660 -0.000 0.000 0.329 49 W C -0.364 176.180 176.519 0.041 0.000 1.246 49 W CA -1.684 55.684 57.345 0.037 0.000 1.190 49 W CB 0.791 30.269 29.460 0.030 0.000 1.423 49 W HN 1.071 nan 8.180 nan 0.000 0.571 50 G N 2.001 110.929 108.800 0.213 0.000 2.922 50 G HA2 0.410 4.370 3.960 -0.000 0.000 0.335 50 G HA3 0.410 4.370 3.960 -0.000 0.000 0.335 50 G C -0.523 174.264 174.900 -0.187 0.000 1.016 50 G CA -0.816 44.309 45.100 0.041 0.000 1.306 50 G HN 0.621 nan 8.290 nan 0.000 0.465 51 N N 0.204 118.709 118.700 -0.325 0.000 2.508 51 N HA 0.457 5.197 4.740 -0.000 0.000 0.285 51 N C -0.410 174.937 175.510 -0.272 0.000 1.144 51 N CA -0.920 51.825 53.050 -0.508 0.000 0.978 51 N CB 2.090 40.164 38.487 -0.689 0.000 1.180 51 N HN 0.001 nan 8.380 nan 0.000 0.484 52 V N 1.477 121.213 119.914 -0.298 0.000 2.455 52 V HA 0.059 4.179 4.120 -0.000 0.000 0.273 52 V C 0.224 176.251 176.094 -0.112 0.000 1.045 52 V CA -0.381 61.777 62.300 -0.237 0.000 0.976 52 V CB 0.627 32.223 31.823 -0.380 0.000 0.993 52 V HN 0.698 nan 8.190 nan 0.000 0.475 53 K N 6.018 126.380 120.400 -0.064 0.000 2.222 53 K HA 0.533 4.853 4.320 -0.000 0.000 0.243 53 K C -0.892 175.710 176.600 0.003 0.000 1.160 53 K CA -0.274 56.005 56.287 -0.013 0.000 1.090 53 K CB 0.333 32.833 32.500 0.000 0.000 1.694 53 K HN 0.470 nan 8.250 nan 0.000 0.361 54 L N 0.409 121.643 121.223 0.019 0.000 2.703 54 L HA 0.250 4.590 4.340 -0.000 0.000 0.257 54 L C -1.829 175.076 176.870 0.059 0.000 0.923 54 L CA -0.363 54.501 54.840 0.039 0.000 0.936 54 L CB 2.107 44.191 42.059 0.042 0.000 1.482 54 L HN 0.223 nan 8.230 nan 0.000 0.432 55 D N 2.170 122.600 120.400 0.051 0.000 2.347 55 D HA 0.244 4.884 4.640 -0.000 0.000 0.235 55 D C 0.850 177.180 176.300 0.050 0.000 1.149 55 D CA 0.438 54.467 54.000 0.049 0.000 0.850 55 D CB 1.619 42.441 40.800 0.036 0.000 1.061 55 D HN 0.742 nan 8.370 nan 0.000 0.487 56 T N 0.014 114.602 114.554 0.056 0.000 3.148 56 T HA 0.003 4.353 4.350 -0.000 0.000 0.253 56 T C 0.848 175.555 174.700 0.012 0.000 1.134 56 T CA -0.166 61.963 62.100 0.048 0.000 1.051 56 T CB -0.335 68.565 68.868 0.054 0.000 0.959 56 T HN 0.219 nan 8.240 nan 0.000 0.525 57 T N 2.358 116.915 114.554 0.005 0.000 2.908 57 T HA 0.394 4.743 4.350 -0.000 0.000 0.301 57 T C 1.565 176.258 174.700 -0.011 0.000 1.019 57 T CA 0.804 62.897 62.100 -0.012 0.000 1.152 57 T CB 0.084 68.948 68.868 -0.007 0.000 0.966 57 T HN 0.721 nan 8.240 nan 0.000 0.540 58 G N 2.479 111.262 108.800 -0.029 0.000 2.196 58 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.268 58 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.268 58 G C 0.829 175.723 174.900 -0.010 0.000 0.975 58 G CA 0.442 45.527 45.100 -0.025 0.000 0.648 58 G HN 0.705 nan 8.290 nan 0.000 0.538 59 L N -0.523 120.701 121.223 0.001 0.000 2.492 59 L HA 0.386 4.726 4.340 -0.000 0.000 0.223 59 L C 1.126 178.021 176.870 0.042 0.000 1.132 59 L CA 0.591 55.452 54.840 0.036 0.000 0.850 59 L CB 0.040 42.137 42.059 0.063 0.000 0.966 59 L HN 0.284 nan 8.230 nan 0.000 0.454 60 I N -0.775 119.773 120.570 -0.037 0.000 2.533 60 I HA 0.143 4.313 4.170 -0.000 0.000 0.290 60 I C -0.447 175.583 176.117 -0.145 0.000 1.056 60 I CA -0.954 60.273 61.300 -0.122 0.000 1.057 60 I CB 2.247 40.043 38.000 -0.341 0.000 1.240 60 I HN -0.159 nan 8.210 nan 0.000 0.423 61 D N 4.607 124.930 120.400 -0.128 0.000 2.648 61 D HA -0.054 4.586 4.640 -0.000 0.000 0.229 61 D C 1.359 177.569 176.300 -0.150 0.000 1.119 61 D CA 0.590 54.524 54.000 -0.110 0.000 0.850 61 D CB 0.940 41.687 40.800 -0.087 0.000 1.169 61 D HN 0.426 nan 8.370 nan 0.000 0.489 62 R N 3.152 123.577 120.500 -0.126 0.000 2.112 62 R HA -0.219 4.121 4.340 -0.000 0.000 0.242 62 R C 1.743 177.924 176.300 -0.198 0.000 1.137 62 R CA 1.593 57.599 56.100 -0.156 0.000 0.944 62 R CB -0.289 29.940 30.300 -0.118 0.000 0.857 62 R HN 0.515 nan 8.270 nan 0.000 0.435 63 K N 0.401 120.717 120.400 -0.140 0.000 2.442 63 K HA -0.050 4.270 4.320 -0.000 0.000 0.198 63 K C 1.824 178.389 176.600 -0.060 0.000 1.042 63 K CA 0.780 56.999 56.287 -0.112 0.000 0.958 63 K CB 0.238 32.721 32.500 -0.028 0.000 0.766 63 K HN 0.084 nan 8.250 nan 0.000 0.474 64 V N -0.371 119.470 119.914 -0.122 0.000 2.521 64 V HA -0.090 4.029 4.120 -0.000 0.000 0.239 64 V C 1.836 177.814 176.094 -0.193 0.000 1.053 64 V CA 0.721 62.950 62.300 -0.120 0.000 1.073 64 V CB 0.259 31.917 31.823 -0.274 0.000 0.746 64 V HN 0.032 nan 8.190 nan 0.000 0.476 65 V N 2.376 122.104 119.914 -0.309 0.000 2.913 65 V HA -0.204 3.916 4.120 -0.000 0.000 0.260 65 V C 2.730 178.599 176.094 -0.374 0.000 1.098 65 V CA 2.077 64.178 62.300 -0.332 0.000 1.121 65 V CB -0.699 30.945 31.823 -0.299 0.000 0.714 65 V HN 0.717 nan 8.190 nan 0.000 0.487 66 R N -0.782 119.414 120.500 -0.507 0.000 2.152 66 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 66 R C 1.789 177.487 176.300 -1.003 0.000 1.117 66 R CA 2.175 57.743 56.100 -0.886 0.000 0.981 66 R CB -0.710 28.817 30.300 -1.288 0.000 0.870 66 R HN 0.503 nan 8.270 nan 0.000 0.451 67 F N 0.846 120.516 119.950 -0.468 0.000 2.776 67 F HA 0.337 4.864 4.527 -0.000 0.000 0.300 67 F C 0.822 176.451 175.800 -0.285 0.000 1.116 67 F CA -0.325 57.500 58.000 -0.291 0.000 1.375 67 F CB 0.141 39.044 39.000 -0.160 0.000 1.109 67 F HN -0.121 nan 8.300 nan 0.000 0.585 68 M N 0.196 119.682 119.600 -0.189 0.000 2.318 68 M HA 0.325 4.804 4.480 -0.000 0.000 0.347 68 M C 0.441 176.555 176.300 -0.309 0.000 1.175 68 M CA -0.601 54.572 55.300 -0.212 0.000 1.075 68 M CB 1.515 33.990 32.600 -0.208 0.000 1.614 68 M HN 0.005 nan 8.290 nan 0.000 0.456 69 S N -0.101 115.460 115.700 -0.232 0.000 2.745 69 S HA 0.325 4.795 4.470 -0.000 0.000 0.292 69 S C 0.343 174.865 174.600 -0.131 0.000 1.133 69 S CA -0.775 57.339 58.200 -0.143 0.000 0.998 69 S CB 1.113 64.312 63.200 -0.001 0.000 1.087 69 S HN 0.669 nan 8.310 nan 0.000 0.551 70 D N 1.021 121.348 120.400 -0.122 0.000 2.149 70 D HA -0.041 4.599 4.640 -0.000 0.000 0.198 70 D C 2.168 178.169 176.300 -0.499 0.000 0.990 70 D CA 1.754 55.499 54.000 -0.425 0.000 0.839 70 D CB -0.846 39.712 40.800 -0.403 0.000 0.948 70 D HN 0.676 nan 8.370 nan 0.000 0.460 71 A N 0.441 123.167 122.820 -0.157 0.000 1.908 71 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 71 A C 2.439 180.025 177.584 0.003 0.000 1.181 71 A CA 2.004 54.039 52.037 -0.003 0.000 0.627 71 A CB -0.541 18.491 19.000 0.055 0.000 0.818 71 A HN 0.193 nan 8.150 nan 0.000 0.445 72 S N -0.253 115.427 115.700 -0.033 0.000 2.387 72 S HA -0.044 4.426 4.470 -0.000 0.000 0.226 72 S C 1.793 176.411 174.600 0.030 0.000 1.026 72 S CA 1.255 59.464 58.200 0.015 0.000 0.972 72 S CB -0.456 62.735 63.200 -0.016 0.000 0.814 72 S HN 0.542 nan 8.310 nan 0.000 0.477 73 I N 0.496 121.003 120.570 -0.105 0.000 2.142 73 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 73 I C 2.086 178.262 176.117 0.099 0.000 1.078 73 I CA 1.402 62.653 61.300 -0.082 0.000 1.343 73 I CB -0.502 37.352 38.000 -0.244 0.000 1.046 73 I HN 0.251 nan 8.210 nan 0.000 0.405 74 Y N 0.941 121.289 120.300 0.079 0.000 2.181 74 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 74 Y C 2.668 178.615 175.900 0.079 0.000 1.146 74 Y CA 0.787 58.926 58.100 0.066 0.000 1.164 74 Y CB -1.329 37.149 38.460 0.030 0.000 0.982 74 Y HN 0.130 nan 8.280 nan 0.000 0.515 75 A N -0.490 122.476 122.820 0.244 0.000 1.898 75 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 75 A C 2.180 179.868 177.584 0.173 0.000 1.181 75 A CA 1.195 53.330 52.037 0.163 0.000 0.620 75 A CB -1.320 17.761 19.000 0.135 0.000 0.819 75 A HN 0.419 nan 8.150 nan 0.000 0.442 76 F N 0.738 120.747 119.950 0.097 0.000 2.095 76 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 76 F C 1.928 177.823 175.800 0.159 0.000 1.104 76 F CA 1.874 59.971 58.000 0.161 0.000 1.232 76 F CB -0.218 38.838 39.000 0.093 0.000 0.987 76 F HN 0.140 nan 8.300 nan 0.000 0.475 77 L N -0.775 120.625 121.223 0.296 0.000 2.083 77 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 77 L C 2.513 179.404 176.870 0.036 0.000 1.083 77 L CA 1.385 56.328 54.840 0.170 0.000 0.752 77 L CB -0.917 41.271 42.059 0.214 0.000 0.899 77 L HN 0.090 nan 8.230 nan 0.000 0.433 78 S N -0.336 115.387 115.700 0.038 0.000 2.382 78 S HA -0.222 4.248 4.470 -0.000 0.000 0.228 78 S C 1.922 176.455 174.600 -0.111 0.000 1.027 78 S CA 1.567 59.754 58.200 -0.021 0.000 0.991 78 S CB -0.216 62.982 63.200 -0.004 0.000 0.823 78 S HN 0.360 nan 8.310 nan 0.000 0.469 79 M N 1.423 120.905 119.600 -0.196 0.000 2.175 79 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 79 M C 1.886 177.877 176.300 -0.515 0.000 1.063 79 M CA 1.380 56.416 55.300 -0.441 0.000 1.119 79 M CB -0.138 32.037 32.600 -0.709 0.000 1.377 79 M HN 0.231 nan 8.290 nan 0.000 0.415 80 E N -0.142 119.851 120.200 -0.345 0.000 2.077 80 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 80 E C 2.037 178.550 176.600 -0.146 0.000 0.989 80 E CA 1.574 57.845 56.400 -0.215 0.000 0.800 80 E CB -0.194 29.450 29.700 -0.094 0.000 0.746 80 E HN 0.691 nan 8.360 nan 0.000 0.452 81 Q N 0.258 119.996 119.800 -0.103 0.000 2.084 81 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 81 Q C 2.254 178.223 176.000 -0.053 0.000 0.978 81 Q CA 1.322 57.095 55.803 -0.050 0.000 0.844 81 Q CB -0.174 28.550 28.738 -0.024 0.000 0.898 81 Q HN 0.226 nan 8.270 nan 0.000 0.426 82 A N 0.883 123.648 122.820 -0.091 0.000 1.933 82 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 82 A C 2.037 179.600 177.584 -0.035 0.000 1.175 82 A CA 1.121 53.129 52.037 -0.047 0.000 0.628 82 A CB -0.618 18.355 19.000 -0.046 0.000 0.814 82 A HN 0.303 nan 8.150 nan 0.000 0.444 83 I N -0.358 120.123 120.570 -0.149 0.000 2.179 83 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 83 I C 2.962 179.059 176.117 -0.034 0.000 1.088 83 I CA 1.141 62.349 61.300 -0.153 0.000 1.357 83 I CB -0.321 37.441 38.000 -0.397 0.000 1.051 83 I HN 0.361 nan 8.210 nan 0.000 0.409 84 A N 0.200 123.005 122.820 -0.024 0.000 1.898 84 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 84 A C 1.995 179.602 177.584 0.038 0.000 1.181 84 A CA 2.120 54.168 52.037 0.020 0.000 0.620 84 A CB -0.640 18.370 19.000 0.017 0.000 0.819 84 A HN 0.437 nan 8.150 nan 0.000 0.442 85 D N -0.046 120.383 120.400 0.047 0.000 2.178 85 D HA 0.002 4.642 4.640 -0.000 0.000 0.201 85 D C 1.767 178.133 176.300 0.111 0.000 0.980 85 D CA 1.394 55.449 54.000 0.091 0.000 0.842 85 D CB -0.153 40.726 40.800 0.131 0.000 0.948 85 D HN 0.324 nan 8.370 nan 0.000 0.472 86 A N -0.752 122.124 122.820 0.093 0.000 2.208 86 A HA 0.410 4.730 4.320 -0.000 0.000 0.209 86 A C 1.773 179.401 177.584 0.073 0.000 1.161 86 A CA 0.918 53.009 52.037 0.089 0.000 0.782 86 A CB -0.601 18.436 19.000 0.062 0.000 0.816 86 A HN 0.449 nan 8.150 nan 0.000 0.477 87 G N -0.703 108.137 108.800 0.067 0.000 2.221 87 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.265 87 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.265 87 G C -0.075 174.877 174.900 0.087 0.000 1.041 87 G CA 0.402 45.541 45.100 0.065 0.000 0.807 87 G HN 0.472 nan 8.290 nan 0.000 0.502 88 L N 1.514 122.804 121.223 0.112 0.000 2.276 88 L HA 0.537 4.876 4.340 -0.000 0.000 0.286 88 L C 1.213 178.229 176.870 0.244 0.000 1.061 88 L CA -0.253 54.700 54.840 0.187 0.000 0.807 88 L CB 1.500 43.696 42.059 0.228 0.000 1.177 88 L HN 0.417 nan 8.230 nan 0.000 0.429 89 S N 2.512 118.333 115.700 0.201 0.000 2.652 89 S HA 0.395 4.865 4.470 -0.000 0.000 0.270 89 S C -1.961 172.716 174.600 0.127 0.000 1.243 89 S CA -1.232 57.057 58.200 0.150 0.000 0.999 89 S CB 1.444 64.688 63.200 0.073 0.000 0.973 89 S HN 0.359 nan 8.310 nan 0.000 0.544 90 P HA -0.168 nan 4.420 nan 0.000 0.215 90 P C 1.314 178.405 177.300 -0.347 0.000 1.157 90 P CA 1.350 64.283 63.100 -0.278 0.000 0.874 90 P CB -0.066 31.556 31.700 -0.130 0.000 0.790 91 E N -0.468 119.643 120.200 -0.148 0.000 2.478 91 E HA -0.030 4.320 4.350 -0.000 0.000 0.198 91 E C 1.544 178.103 176.600 -0.068 0.000 1.046 91 E CA 1.048 57.380 56.400 -0.112 0.000 0.870 91 E CB -0.857 28.811 29.700 -0.055 0.000 0.818 91 E HN 0.217 nan 8.360 nan 0.000 0.527 92 A N 0.541 123.348 122.820 -0.023 0.000 2.095 92 A HA 0.047 4.367 4.320 -0.000 0.000 0.212 92 A C 1.573 179.245 177.584 0.147 0.000 1.162 92 A CA 0.701 52.788 52.037 0.083 0.000 0.753 92 A CB -0.316 18.772 19.000 0.147 0.000 0.840 92 A HN 0.417 nan 8.150 nan 0.000 0.468 93 Y N -2.008 118.335 120.300 0.071 0.000 2.441 93 Y HA 0.440 4.989 4.550 -0.000 0.000 0.266 93 Y C 0.583 176.516 175.900 0.055 0.000 1.093 93 Y CA -0.672 57.484 58.100 0.094 0.000 1.246 93 Y CB -0.158 38.425 38.460 0.206 0.000 1.262 93 Y HN 0.144 nan 8.280 nan 0.000 0.518 94 Q N 2.064 121.513 119.800 -0.585 0.000 2.354 94 Q HA 0.176 4.516 4.340 -0.000 0.000 0.244 94 Q C -0.143 175.667 176.000 -0.316 0.000 0.969 94 Q CA -0.267 55.278 55.803 -0.430 0.000 0.885 94 Q CB 0.326 28.759 28.738 -0.508 0.000 1.241 94 Q HN 0.340 nan 8.270 nan 0.000 0.461 95 N N 1.776 120.176 118.700 -0.500 0.000 2.708 95 N HA -0.215 4.525 4.740 -0.000 0.000 0.251 95 N C -1.123 174.174 175.510 -0.355 0.000 1.017 95 N CA 0.794 53.336 53.050 -0.847 0.000 0.742 95 N CB -1.063 37.187 38.487 -0.395 0.000 0.943 95 N HN 0.540 nan 8.380 nan 0.000 0.539 96 N N 0.479 119.066 118.700 -0.190 0.000 2.483 96 N HA 0.241 4.981 4.740 -0.000 0.000 0.267 96 N C -1.646 173.921 175.510 0.095 0.000 0.998 96 N CA -1.833 51.220 53.050 0.006 0.000 0.918 96 N CB 1.555 40.056 38.487 0.023 0.000 1.215 96 N HN -0.102 nan 8.380 nan 0.000 0.500 97 P HA -0.071 nan 4.420 nan 0.000 0.225 97 P C 0.529 177.871 177.300 0.071 0.000 1.148 97 P CA 0.771 63.946 63.100 0.126 0.000 0.779 97 P CB 0.528 32.288 31.700 0.101 0.000 0.780 98 R N -0.341 120.188 120.500 0.049 0.000 2.317 98 R HA 0.214 4.554 4.340 -0.000 0.000 0.208 98 R C 0.241 176.524 176.300 -0.027 0.000 0.914 98 R CA 0.001 56.106 56.100 0.008 0.000 1.060 98 R CB 0.129 30.432 30.300 0.006 0.000 1.015 98 R HN 0.157 nan 8.270 nan 0.000 0.498 99 V N 0.373 120.296 119.914 0.015 0.000 2.409 99 V HA 0.621 4.741 4.120 -0.000 0.000 0.291 99 V C 0.500 176.631 176.094 0.063 0.000 1.020 99 V CA -0.756 61.553 62.300 0.015 0.000 0.848 99 V CB 1.672 33.565 31.823 0.115 0.000 0.990 99 V HN 0.268 nan 8.190 nan 0.000 0.430 100 G N 3.245 112.050 108.800 0.009 0.000 3.042 100 G HA2 0.800 4.760 3.960 -0.000 0.000 0.278 100 G HA3 0.800 4.760 3.960 -0.000 0.000 0.278 100 G C -1.823 173.119 174.900 0.069 0.000 1.371 100 G CA -0.740 44.373 45.100 0.022 0.000 1.009 100 G HN 0.650 nan 8.290 nan 0.000 0.523 101 L N -0.420 120.801 121.223 -0.004 0.000 2.470 101 L HA 0.727 5.067 4.340 -0.000 0.000 0.268 101 L C -1.435 175.356 176.870 -0.131 0.000 0.964 101 L CA -0.541 54.306 54.840 0.012 0.000 0.839 101 L CB 1.742 43.836 42.059 0.059 0.000 1.276 101 L HN 0.439 nan 8.230 nan 0.000 0.403 102 I N 5.308 125.813 120.570 -0.108 0.000 2.476 102 I HA 0.814 4.984 4.170 -0.000 0.000 0.281 102 I C -0.576 175.529 176.117 -0.019 0.000 1.040 102 I CA -0.414 60.808 61.300 -0.131 0.000 1.094 102 I CB 1.675 39.586 38.000 -0.149 0.000 1.219 102 I HN 0.814 nan 8.210 nan 0.000 0.450 103 A N 4.299 127.133 122.820 0.022 0.000 2.566 103 A HA 0.930 5.250 4.320 -0.000 0.000 0.297 103 A C -0.725 176.904 177.584 0.076 0.000 1.059 103 A CA -0.367 51.699 52.037 0.047 0.000 0.691 103 A CB 1.787 20.810 19.000 0.038 0.000 1.282 103 A HN 0.763 nan 8.150 nan 0.000 0.401 104 G N -0.160 108.689 108.800 0.082 0.000 2.827 104 G HA2 0.865 4.825 3.960 -0.000 0.000 0.296 104 G HA3 0.865 4.825 3.960 -0.000 0.000 0.296 104 G C -0.507 174.445 174.900 0.087 0.000 1.362 104 G CA 0.161 45.316 45.100 0.091 0.000 0.809 104 G HN 1.926 nan 8.290 nan 0.000 0.522 105 S N -2.052 113.702 115.700 0.089 0.000 2.627 105 S HA 0.656 5.126 4.470 -0.000 0.000 0.283 105 S C 0.985 175.643 174.600 0.096 0.000 1.127 105 S CA 0.247 58.500 58.200 0.090 0.000 0.863 105 S CB 1.527 64.778 63.200 0.085 0.000 1.121 105 S HN 1.468 nan 8.310 nan 0.000 0.479 106 G N 0.010 108.870 108.800 0.100 0.000 2.408 106 G HA2 0.317 4.277 3.960 -0.000 0.000 0.215 106 G HA3 0.317 4.277 3.960 -0.000 0.000 0.215 106 G C 0.848 175.812 174.900 0.107 0.000 1.156 106 G CA 0.409 45.577 45.100 0.114 0.000 0.793 106 G HN 1.267 nan 8.290 nan 0.000 0.535 107 G N -1.139 107.720 108.800 0.098 0.000 3.695 107 G HA2 0.481 4.441 3.960 -0.000 0.000 0.277 107 G HA3 0.481 4.441 3.960 -0.000 0.000 0.277 107 G C 1.004 175.945 174.900 0.068 0.000 1.001 107 G CA 0.737 45.886 45.100 0.081 0.000 0.837 107 G HN 1.040 nan 8.290 nan 0.000 0.492 108 G N 0.571 109.414 108.800 0.072 0.000 2.602 108 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.310 108 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.310 108 G C 0.440 175.385 174.900 0.075 0.000 1.183 108 G CA 0.806 45.947 45.100 0.069 0.000 0.979 108 G HN 1.528 nan 8.290 nan 0.000 0.545 109 S N 1.291 117.043 115.700 0.085 0.000 2.383 109 S HA 0.642 5.112 4.470 -0.000 0.000 0.196 109 S C -1.382 173.271 174.600 0.089 0.000 1.364 109 S CA 0.051 58.319 58.200 0.113 0.000 1.212 109 S CB 1.780 65.105 63.200 0.207 0.000 1.171 109 S HN 0.278 nan 8.310 nan 0.000 0.456 110 P HA -0.093 nan 4.420 nan 0.000 0.216 110 P C 1.532 178.781 177.300 -0.085 0.000 1.150 110 P CA 0.654 63.732 63.100 -0.036 0.000 0.837 110 P CB 0.132 31.785 31.700 -0.078 0.000 0.786 111 R N -0.712 119.714 120.500 -0.125 0.000 2.080 111 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 111 R C 1.901 178.071 176.300 -0.216 0.000 1.137 111 R CA 1.762 57.712 56.100 -0.249 0.000 0.943 111 R CB -0.998 29.101 30.300 -0.336 0.000 0.846 111 R HN 0.096 nan 8.270 nan 0.000 0.431 112 F N 0.817 120.780 119.950 0.021 0.000 2.502 112 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 112 F C 2.461 178.351 175.800 0.151 0.000 1.111 112 F CA 0.943 59.007 58.000 0.107 0.000 1.445 112 F CB 0.030 39.058 39.000 0.047 0.000 1.081 112 F HN 0.176 nan 8.300 nan 0.000 0.558 113 Q N -0.346 119.573 119.800 0.198 0.000 2.049 113 Q HA -0.129 4.211 4.340 -0.000 0.000 0.198 113 Q C 2.385 178.436 176.000 0.084 0.000 0.971 113 Q CA 1.494 57.373 55.803 0.127 0.000 0.833 113 Q CB -0.260 28.518 28.738 0.068 0.000 0.896 113 Q HN 0.248 nan 8.270 nan 0.000 0.434 114 V N 0.629 120.565 119.914 0.037 0.000 2.427 114 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 114 V C 1.886 178.006 176.094 0.043 0.000 1.051 114 V CA 1.618 63.924 62.300 0.009 0.000 1.048 114 V CB -0.608 31.180 31.823 -0.058 0.000 0.666 114 V HN 0.350 nan 8.190 nan 0.000 0.456 115 F N 2.352 122.269 119.950 -0.055 0.000 2.069 115 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 115 F C 2.202 178.021 175.800 0.031 0.000 1.113 115 F CA 1.923 59.903 58.000 -0.033 0.000 1.214 115 F CB -0.992 37.956 39.000 -0.086 0.000 0.978 115 F HN 0.137 nan 8.300 nan 0.000 0.474 116 G N -0.330 108.440 108.800 -0.051 0.000 2.442 116 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 116 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 116 G C 1.782 176.574 174.900 -0.179 0.000 1.141 116 G CA 0.940 45.947 45.100 -0.155 0.000 0.763 116 G HN 0.680 nan 8.290 nan 0.000 0.554 117 A N 0.901 123.664 122.820 -0.095 0.000 1.897 117 A HA 0.009 4.328 4.320 -0.000 0.000 0.215 117 A C 2.110 179.633 177.584 -0.102 0.000 1.181 117 A CA 1.985 53.979 52.037 -0.072 0.000 0.620 117 A CB -0.349 18.634 19.000 -0.028 0.000 0.821 117 A HN 0.259 nan 8.150 nan 0.000 0.443 118 D N 0.272 120.597 120.400 -0.124 0.000 2.097 118 D HA -0.067 4.573 4.640 -0.000 0.000 0.195 118 D C 2.251 178.447 176.300 -0.173 0.000 0.989 118 D CA 1.650 55.583 54.000 -0.111 0.000 0.827 118 D CB -0.480 40.279 40.800 -0.069 0.000 0.966 118 D HN 0.400 nan 8.370 nan 0.000 0.456 119 A N 0.615 123.229 122.820 -0.343 0.000 1.902 119 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 119 A C 2.142 179.610 177.584 -0.194 0.000 1.181 119 A CA 1.743 53.574 52.037 -0.343 0.000 0.623 119 A CB -0.554 18.055 19.000 -0.652 0.000 0.818 119 A HN 0.162 nan 8.150 nan 0.000 0.443 120 M N -0.140 119.355 119.600 -0.174 0.000 2.213 120 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 120 M C 1.690 177.948 176.300 -0.070 0.000 1.062 120 M CA 1.526 56.765 55.300 -0.101 0.000 1.105 120 M CB -0.427 32.126 32.600 -0.079 0.000 1.385 120 M HN 0.362 nan 8.290 nan 0.000 0.417 121 R N -0.254 120.205 120.500 -0.069 0.000 2.310 121 R HA 0.280 4.620 4.340 -0.000 0.000 0.202 121 R C 1.128 177.404 176.300 -0.040 0.000 0.933 121 R CA 0.302 56.376 56.100 -0.045 0.000 1.054 121 R CB -0.366 29.912 30.300 -0.036 0.000 0.985 121 R HN 0.439 nan 8.270 nan 0.000 0.489 122 G N 1.073 109.842 108.800 -0.051 0.000 2.543 122 G HA2 0.136 4.096 3.960 -0.000 0.000 0.290 122 G HA3 0.136 4.096 3.960 -0.000 0.000 0.290 122 G C -1.442 173.441 174.900 -0.028 0.000 1.310 122 G CA -1.017 44.060 45.100 -0.038 0.000 1.025 122 G HN -0.043 nan 8.290 nan 0.000 0.502 123 P HA 0.015 nan 4.420 nan 0.000 0.233 123 P C 1.093 178.385 177.300 -0.013 0.000 1.167 123 P CA 0.560 63.652 63.100 -0.013 0.000 0.770 123 P CB 0.426 32.122 31.700 -0.007 0.000 0.837 124 R N -0.910 119.580 120.500 -0.017 0.000 2.254 124 R HA 0.201 4.541 4.340 -0.000 0.000 0.193 124 R C 1.620 177.907 176.300 -0.023 0.000 0.929 124 R CA 0.803 56.894 56.100 -0.015 0.000 1.038 124 R CB -0.367 29.928 30.300 -0.008 0.000 1.009 124 R HN 0.206 nan 8.270 nan 0.000 0.512 125 G N 1.921 110.700 108.800 -0.035 0.000 2.574 125 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.286 125 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.286 125 G C 0.892 175.767 174.900 -0.043 0.000 1.212 125 G CA 0.359 45.435 45.100 -0.040 0.000 0.979 125 G HN 0.215 nan 8.290 nan 0.000 0.557 126 L N 0.503 121.707 121.223 -0.032 0.000 2.051 126 L HA -0.202 4.138 4.340 -0.000 0.000 0.214 126 L C 3.064 179.921 176.870 -0.021 0.000 1.076 126 L CA 2.589 57.413 54.840 -0.028 0.000 0.758 126 L CB -0.528 41.518 42.059 -0.021 0.000 0.890 126 L HN 0.629 nan 8.230 nan 0.000 0.433 127 K N -0.226 120.164 120.400 -0.016 0.000 2.103 127 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 127 K C 2.097 178.704 176.600 0.011 0.000 1.048 127 K CA 1.460 57.744 56.287 -0.005 0.000 0.930 127 K CB -0.294 32.205 32.500 -0.003 0.000 0.716 127 K HN 0.341 nan 8.250 nan 0.000 0.444 128 A N 0.856 123.675 122.820 -0.002 0.000 2.067 128 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 128 A C 2.256 179.854 177.584 0.023 0.000 1.156 128 A CA 0.735 52.780 52.037 0.013 0.000 0.683 128 A CB -0.231 18.745 19.000 -0.041 0.000 0.808 128 A HN 0.050 nan 8.150 nan 0.000 0.455 129 V N -0.488 119.416 119.914 -0.016 0.000 2.323 129 V HA 0.229 4.349 4.120 -0.000 0.000 0.244 129 V C 1.586 177.788 176.094 0.180 0.000 1.041 129 V CA 1.150 63.463 62.300 0.020 0.000 1.025 129 V CB -1.817 29.997 31.823 -0.015 0.000 0.656 129 V HN 1.172 nan 8.190 nan 0.000 0.451 130 G N 0.740 109.585 108.800 0.075 0.000 2.758 130 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 130 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 130 G C -1.804 173.045 174.900 -0.085 0.000 1.389 130 G CA -0.093 45.013 45.100 0.010 0.000 0.845 130 G HN 0.313 nan 8.290 nan 0.000 0.572 131 P HA 0.242 nan 4.420 nan 0.000 0.258 131 P C 0.076 177.147 177.300 -0.383 0.000 1.416 131 P CA 0.535 63.420 63.100 -0.358 0.000 0.927 131 P CB 0.012 31.450 31.700 -0.438 0.000 1.444 132 Y N -1.598 118.697 120.300 -0.008 0.000 2.481 132 Y HA 0.117 4.667 4.550 -0.000 0.000 0.247 132 Y C 2.210 178.080 175.900 -0.051 0.000 1.151 132 Y CA -0.256 57.810 58.100 -0.057 0.000 1.238 132 Y CB -0.399 37.921 38.460 -0.233 0.000 1.179 132 Y HN -0.272 nan 8.280 nan 0.000 0.524 133 V N -1.174 118.820 119.914 0.134 0.000 2.427 133 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 133 V C 2.109 178.265 176.094 0.103 0.000 1.051 133 V CA 1.564 63.950 62.300 0.144 0.000 1.048 133 V CB -0.735 31.234 31.823 0.243 0.000 0.666 133 V HN 0.215 nan 8.190 nan 0.000 0.456 134 V N 1.233 121.205 119.914 0.096 0.000 2.255 134 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 134 V C 2.819 178.955 176.094 0.070 0.000 1.051 134 V CA 2.680 65.027 62.300 0.079 0.000 1.018 134 V CB -1.322 30.541 31.823 0.068 0.000 0.641 134 V HN 0.813 nan 8.190 nan 0.000 0.445 135 T N -2.040 112.570 114.554 0.094 0.000 3.007 135 T HA -0.166 4.184 4.350 -0.000 0.000 0.270 135 T C 1.667 176.378 174.700 0.019 0.000 1.107 135 T CA 1.314 63.459 62.100 0.074 0.000 1.118 135 T CB -0.228 68.728 68.868 0.147 0.000 0.889 135 T HN 0.497 nan 8.240 nan 0.000 0.506 136 K N 0.876 121.255 120.400 -0.034 0.000 2.128 136 K HA 0.406 4.726 4.320 -0.000 0.000 0.202 136 K C 2.691 179.293 176.600 0.003 0.000 1.050 136 K CA 0.797 57.004 56.287 -0.134 0.000 0.966 136 K CB -0.104 32.093 32.500 -0.505 0.000 0.759 136 K HN 0.370 nan 8.250 nan 0.000 0.454 137 A N 2.025 124.884 122.820 0.065 0.000 1.975 137 A HA 0.061 4.381 4.320 -0.000 0.000 0.215 137 A C 1.280 178.908 177.584 0.074 0.000 1.170 137 A CA 0.063 52.164 52.037 0.106 0.000 0.656 137 A CB -0.482 18.600 19.000 0.136 0.000 0.821 137 A HN 0.332 nan 8.150 nan 0.000 0.449 138 M N -1.633 118.002 119.600 0.058 0.000 2.252 138 M HA 0.453 4.933 4.480 -0.000 0.000 0.333 138 M C 0.977 177.308 176.300 0.051 0.000 1.111 138 M CA 0.434 55.765 55.300 0.050 0.000 1.140 138 M CB 0.412 33.039 32.600 0.044 0.000 1.538 138 M HN 0.068 nan 8.290 nan 0.000 0.448 139 A N 1.935 124.785 122.820 0.050 0.000 2.024 139 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 139 A C 2.076 179.698 177.584 0.062 0.000 1.164 139 A CA 1.979 54.050 52.037 0.056 0.000 0.643 139 A CB -0.964 18.066 19.000 0.051 0.000 0.806 139 A HN 1.018 nan 8.150 nan 0.000 0.451 140 S N -1.005 114.731 115.700 0.060 0.000 2.634 140 S HA 0.295 4.765 4.470 -0.000 0.000 0.221 140 S C 1.657 176.292 174.600 0.058 0.000 0.952 140 S CA 0.619 58.860 58.200 0.069 0.000 0.930 140 S CB -0.322 62.921 63.200 0.071 0.000 0.780 140 S HN 0.576 nan 8.310 nan 0.000 0.498 141 G N 2.218 111.047 108.800 0.049 0.000 2.476 141 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 141 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 141 G C 1.312 176.237 174.900 0.041 0.000 1.164 141 G CA 1.253 46.375 45.100 0.036 0.000 0.768 141 G HN 0.481 nan 8.290 nan 0.000 0.560 142 V N 1.747 121.694 119.914 0.056 0.000 2.332 142 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 142 V C 3.249 179.390 176.094 0.079 0.000 1.055 142 V CA 2.517 64.859 62.300 0.070 0.000 1.038 142 V CB -0.503 31.365 31.823 0.076 0.000 0.651 142 V HN 0.636 nan 8.190 nan 0.000 0.450 143 S N 0.554 116.298 115.700 0.073 0.000 2.406 143 S HA 0.015 4.485 4.470 -0.000 0.000 0.224 143 S C 2.124 176.763 174.600 0.065 0.000 1.030 143 S CA 0.941 59.183 58.200 0.069 0.000 0.958 143 S CB -0.379 62.861 63.200 0.066 0.000 0.811 143 S HN 0.532 nan 8.310 nan 0.000 0.489 144 A N 1.001 123.851 122.820 0.050 0.000 1.902 144 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 144 A C 2.318 179.904 177.584 0.004 0.000 1.181 144 A CA 1.563 53.612 52.037 0.021 0.000 0.623 144 A CB -1.460 17.543 19.000 0.004 0.000 0.818 144 A HN 0.690 nan 8.150 nan 0.000 0.443 145 C N -1.205 118.106 119.300 0.018 0.000 2.522 145 C HA 0.212 4.672 4.460 -0.000 0.000 0.271 145 C C 2.169 177.211 174.990 0.087 0.000 1.425 145 C CA 0.557 59.580 59.018 0.007 0.000 1.751 145 C CB -1.273 26.466 27.740 -0.001 0.000 1.775 145 C HN 0.524 nan 8.230 nan 0.000 0.557 146 L N 0.260 121.580 121.223 0.161 0.000 2.445 146 L HA 0.285 4.625 4.340 -0.000 0.000 0.207 146 L C 2.608 179.656 176.870 0.296 0.000 1.053 146 L CA 1.450 56.483 54.840 0.321 0.000 0.841 146 L CB -1.133 41.114 42.059 0.312 0.000 1.074 146 L HN 0.143 nan 8.230 nan 0.000 0.479 147 A N -0.659 122.264 122.820 0.172 0.000 1.908 147 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 147 A C 2.292 179.958 177.584 0.137 0.000 1.181 147 A CA 2.577 54.704 52.037 0.150 0.000 0.627 147 A CB -1.034 18.023 19.000 0.094 0.000 0.818 147 A HN 0.415 nan 8.150 nan 0.000 0.445 148 T N 0.346 114.944 114.554 0.072 0.000 2.643 148 T HA -0.063 4.286 4.350 -0.000 0.000 0.264 148 T C 0.016 174.727 174.700 0.017 0.000 1.045 148 T CA 1.790 63.904 62.100 0.023 0.000 1.155 148 T CB -1.280 67.549 68.868 -0.064 0.000 0.863 148 T HN 0.406 nan 8.240 nan 0.000 0.420 149 P HA -0.017 nan 4.420 nan 0.000 0.215 149 P C 0.831 178.046 177.300 -0.142 0.000 1.153 149 P CA 1.029 64.064 63.100 -0.107 0.000 0.853 149 P CB -0.215 31.404 31.700 -0.135 0.000 0.788 150 F N -0.670 119.339 119.950 0.099 0.000 2.804 150 F HA 0.102 4.629 4.527 -0.000 0.000 0.303 150 F C 0.675 176.532 175.800 0.096 0.000 1.154 150 F CA 0.061 58.120 58.000 0.099 0.000 1.401 150 F CB -0.406 38.591 39.000 -0.004 0.000 1.106 150 F HN -0.245 nan 8.300 nan 0.000 0.568 151 K N 0.464 120.961 120.400 0.162 0.000 3.077 151 K HA -0.198 4.122 4.320 -0.000 0.000 0.264 151 K C -0.439 176.201 176.600 0.066 0.000 1.008 151 K CA 0.356 56.684 56.287 0.069 0.000 0.740 151 K CB -2.289 30.177 32.500 -0.057 0.000 1.273 151 K HN 0.219 nan 8.250 nan 0.000 0.477 152 I N 1.228 121.908 120.570 0.184 0.000 2.471 152 I HA 0.041 4.210 4.170 -0.000 0.000 0.286 152 I C 1.855 178.141 176.117 0.282 0.000 1.079 152 I CA 0.244 61.664 61.300 0.200 0.000 1.398 152 I CB 0.358 38.475 38.000 0.195 0.000 1.403 152 I HN 0.254 nan 8.210 nan 0.000 0.530 153 H N 3.301 122.419 119.070 0.080 0.000 2.755 153 H HA 0.194 4.750 4.556 -0.000 0.000 0.273 153 H C 1.325 176.676 175.328 0.039 0.000 1.055 153 H CA -0.112 55.966 56.048 0.050 0.000 1.191 153 H CB 1.368 31.154 29.762 0.040 0.000 1.536 153 H HN 0.774 nan 8.280 nan 0.000 0.529 154 G N 1.014 109.907 108.800 0.155 0.000 2.829 154 G HA2 0.232 4.192 3.960 -0.000 0.000 0.173 154 G HA3 0.232 4.192 3.960 -0.000 0.000 0.173 154 G C 0.133 175.054 174.900 0.035 0.000 1.476 154 G CA 0.009 45.155 45.100 0.077 0.000 1.072 154 G HN 0.128 nan 8.290 nan 0.000 0.577 155 V N -0.615 119.287 119.914 -0.020 0.000 2.872 155 V HA 0.431 4.551 4.120 -0.000 0.000 0.307 155 V C -0.278 175.716 176.094 -0.168 0.000 1.072 155 V CA -0.179 62.061 62.300 -0.101 0.000 1.148 155 V CB 1.081 32.779 31.823 -0.209 0.000 0.954 155 V HN 0.745 nan 8.190 nan 0.000 0.490 156 N N 3.758 122.345 118.700 -0.188 0.000 2.629 156 N HA 0.490 5.229 4.740 -0.000 0.000 0.277 156 N C -1.194 174.309 175.510 -0.013 0.000 1.188 156 N CA -0.553 52.424 53.050 -0.120 0.000 0.835 156 N CB 1.062 39.556 38.487 0.012 0.000 1.420 156 N HN 1.015 nan 8.380 nan 0.000 0.542 157 Y N -1.194 119.132 120.300 0.043 0.000 2.779 157 Y HA 0.663 5.213 4.550 -0.000 0.000 0.340 157 Y C -1.230 174.694 175.900 0.040 0.000 1.252 157 Y CA -1.196 56.925 58.100 0.036 0.000 1.072 157 Y CB 0.481 38.959 38.460 0.029 0.000 1.343 157 Y HN 0.090 nan 8.280 nan 0.000 0.450 158 S N 1.422 117.315 115.700 0.321 0.000 2.501 158 S HA 0.703 5.173 4.470 -0.000 0.000 0.301 158 S C -0.858 173.873 174.600 0.219 0.000 1.096 158 S CA -0.715 57.615 58.200 0.216 0.000 1.063 158 S CB 1.145 64.426 63.200 0.135 0.000 1.042 158 S HN 0.511 nan 8.310 nan 0.000 0.494 159 I N 1.931 122.614 120.570 0.189 0.000 2.412 159 I HA 0.465 4.635 4.170 -0.000 0.000 0.296 159 I C -0.024 176.170 176.117 0.129 0.000 0.987 159 I CA -0.318 61.073 61.300 0.151 0.000 1.180 159 I CB 1.945 40.049 38.000 0.174 0.000 1.340 159 I HN 0.480 nan 8.210 nan 0.000 0.455 160 S N 3.246 119.009 115.700 0.105 0.000 2.532 160 S HA 0.630 5.099 4.470 -0.000 0.000 0.299 160 S C -0.317 174.357 174.600 0.124 0.000 1.105 160 S CA -0.391 57.876 58.200 0.112 0.000 1.018 160 S CB 1.034 64.287 63.200 0.088 0.000 1.021 160 S HN 0.684 nan 8.310 nan 0.000 0.483 161 S N 2.764 118.566 115.700 0.169 0.000 2.589 161 S HA 0.586 5.056 4.470 -0.000 0.000 0.210 161 S C 0.556 175.291 174.600 0.225 0.000 0.803 161 S CA -0.001 58.322 58.200 0.206 0.000 1.061 161 S CB -0.388 63.008 63.200 0.326 0.000 1.637 161 S HN 1.927 nan 8.310 nan 0.000 0.462 162 A N 0.879 123.824 122.820 0.208 0.000 5.481 162 A HA -0.356 3.964 4.320 -0.000 0.000 0.318 162 A C 1.730 179.454 177.584 0.233 0.000 1.837 162 A CA 1.381 53.569 52.037 0.251 0.000 0.717 162 A CB -2.270 16.957 19.000 0.379 0.000 1.349 162 A HN 1.596 nan 8.150 nan 0.000 0.388 163 C N 0.061 119.538 119.300 0.295 0.000 2.430 163 C HA 0.299 4.759 4.460 -0.000 0.000 0.288 163 C C 2.739 177.820 174.990 0.151 0.000 1.448 163 C CA 1.271 60.465 59.018 0.294 0.000 1.784 163 C CB -2.058 25.957 27.740 0.459 0.000 1.776 163 C HN 1.423 nan 8.230 nan 0.000 0.547 164 A N 0.080 122.968 122.820 0.113 0.000 2.252 164 A HA 0.127 4.447 4.320 -0.000 0.000 0.213 164 A C 1.930 179.538 177.584 0.041 0.000 1.188 164 A CA 0.968 53.004 52.037 -0.003 0.000 0.863 164 A CB -0.661 18.326 19.000 -0.022 0.000 0.893 164 A HN 0.433 nan 8.150 nan 0.000 0.495 165 T N 1.587 116.229 114.554 0.146 0.000 2.527 165 T HA -0.294 4.056 4.350 -0.000 0.000 0.258 165 T C 2.214 176.980 174.700 0.111 0.000 1.175 165 T CA 2.879 65.076 62.100 0.161 0.000 1.168 165 T CB -0.621 68.327 68.868 0.133 0.000 0.860 165 T HN 0.819 nan 8.240 nan 0.000 0.429 166 S N 1.455 117.187 115.700 0.053 0.000 2.474 166 S HA 0.190 4.660 4.470 -0.000 0.000 0.235 166 S C 2.220 176.802 174.600 -0.029 0.000 0.997 166 S CA 0.792 59.001 58.200 0.015 0.000 0.949 166 S CB -0.404 62.792 63.200 -0.007 0.000 0.766 166 S HN 0.587 nan 8.310 nan 0.000 0.517 167 A N 1.726 124.509 122.820 -0.061 0.000 1.898 167 A HA 0.039 4.359 4.320 -0.000 0.000 0.214 167 A C 1.918 179.442 177.584 -0.099 0.000 1.183 167 A CA 1.225 53.188 52.037 -0.124 0.000 0.622 167 A CB -0.968 17.914 19.000 -0.197 0.000 0.824 167 A HN 0.664 nan 8.150 nan 0.000 0.444 168 H N -1.525 117.580 119.070 0.057 0.000 2.423 168 H HA -0.119 4.437 4.556 -0.000 0.000 0.297 168 H C 2.194 177.518 175.328 -0.006 0.000 1.075 168 H CA 1.296 57.400 56.048 0.095 0.000 1.342 168 H CB -0.154 29.693 29.762 0.141 0.000 1.395 168 H HN 0.535 nan 8.280 nan 0.000 0.530 169 C N 0.299 119.663 119.300 0.107 0.000 2.413 169 C HA -0.149 4.311 4.460 -0.000 0.000 0.276 169 C C 2.686 177.639 174.990 -0.061 0.000 1.236 169 C CA 0.832 59.877 59.018 0.045 0.000 1.735 169 C CB -0.843 26.920 27.740 0.038 0.000 2.031 169 C HN 0.525 nan 8.230 nan 0.000 0.474 170 I N 1.125 121.625 120.570 -0.116 0.000 2.179 170 I HA -0.127 4.043 4.170 -0.000 0.000 0.242 170 I C 2.746 178.661 176.117 -0.337 0.000 1.088 170 I CA 1.854 63.040 61.300 -0.189 0.000 1.357 170 I CB -0.970 36.925 38.000 -0.175 0.000 1.051 170 I HN 0.452 nan 8.210 nan 0.000 0.409 171 G N 0.432 108.868 108.800 -0.607 0.000 2.440 171 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 171 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 171 G C 1.409 175.893 174.900 -0.693 0.000 1.154 171 G CA 1.209 45.445 45.100 -1.440 0.000 0.767 171 G HN 0.329 nan 8.290 nan 0.000 0.552 172 N N 0.650 119.191 118.700 -0.264 0.000 2.188 172 N HA 0.021 4.761 4.740 -0.000 0.000 0.184 172 N C 2.419 177.901 175.510 -0.047 0.000 1.018 172 N CA 1.352 54.392 53.050 -0.016 0.000 0.858 172 N CB -0.251 38.303 38.487 0.112 0.000 0.989 172 N HN 0.264 nan 8.380 nan 0.000 0.426 173 A N -0.142 122.612 122.820 -0.109 0.000 1.902 173 A HA -0.102 4.217 4.320 -0.000 0.000 0.217 173 A C 2.330 179.847 177.584 -0.112 0.000 1.181 173 A CA 1.506 53.474 52.037 -0.114 0.000 0.623 173 A CB -0.921 17.994 19.000 -0.141 0.000 0.818 173 A HN 0.154 nan 8.150 nan 0.000 0.443 174 V N 0.314 120.142 119.914 -0.143 0.000 2.332 174 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 174 V C 2.401 178.471 176.094 -0.040 0.000 1.055 174 V CA 2.360 64.600 62.300 -0.101 0.000 1.038 174 V CB -0.965 30.786 31.823 -0.119 0.000 0.651 174 V HN 0.654 nan 8.190 nan 0.000 0.450 175 E N -0.445 119.746 120.200 -0.014 0.000 2.085 175 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 175 E C 2.359 178.971 176.600 0.021 0.000 0.994 175 E CA 1.225 57.649 56.400 0.040 0.000 0.801 175 E CB -0.205 29.548 29.700 0.089 0.000 0.743 175 E HN 0.553 nan 8.360 nan 0.000 0.453 176 Q N 0.289 120.090 119.800 0.002 0.000 2.170 176 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 176 Q C 2.231 178.218 176.000 -0.022 0.000 0.976 176 Q CA 1.034 56.834 55.803 -0.005 0.000 0.858 176 Q CB -0.131 28.591 28.738 -0.026 0.000 0.907 176 Q HN 0.441 nan 8.270 nan 0.000 0.433 177 I N 0.465 121.012 120.570 -0.038 0.000 2.286 177 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 177 I C 2.254 178.361 176.117 -0.017 0.000 1.104 177 I CA 0.890 62.165 61.300 -0.042 0.000 1.397 177 I CB -0.180 37.784 38.000 -0.061 0.000 1.072 177 I HN 0.227 nan 8.210 nan 0.000 0.417 178 Q N 0.105 119.902 119.800 -0.004 0.000 2.170 178 Q HA -0.174 4.166 4.340 -0.000 0.000 0.203 178 Q C 1.889 177.895 176.000 0.011 0.000 0.976 178 Q CA 1.110 56.919 55.803 0.009 0.000 0.858 178 Q CB -0.038 28.713 28.738 0.023 0.000 0.907 178 Q HN 0.327 nan 8.270 nan 0.000 0.433 179 L N -0.616 120.614 121.223 0.012 0.000 2.552 179 L HA 0.092 4.431 4.340 -0.000 0.000 0.227 179 L C 1.335 178.211 176.870 0.010 0.000 1.146 179 L CA 1.525 56.374 54.840 0.015 0.000 0.858 179 L CB -0.619 41.453 42.059 0.022 0.000 0.969 179 L HN 0.402 nan 8.230 nan 0.000 0.451 180 G N -0.940 107.862 108.800 0.004 0.000 2.155 180 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.257 180 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.257 180 G C 1.449 176.350 174.900 0.002 0.000 0.983 180 G CA 0.797 45.898 45.100 0.003 0.000 0.676 180 G HN 0.398 nan 8.290 nan 0.000 0.528 181 K N -0.813 119.588 120.400 0.001 0.000 2.167 181 K HA 0.088 4.408 4.320 -0.000 0.000 0.203 181 K C 1.008 177.603 176.600 -0.009 0.000 1.052 181 K CA 0.883 57.172 56.287 0.004 0.000 0.956 181 K CB 0.040 32.550 32.500 0.015 0.000 0.735 181 K HN 0.446 nan 8.250 nan 0.000 0.451 182 Q N -0.340 119.441 119.800 -0.032 0.000 2.421 182 Q HA 0.146 4.486 4.340 -0.000 0.000 0.280 182 Q C -0.512 175.428 176.000 -0.101 0.000 1.085 182 Q CA -0.366 55.399 55.803 -0.063 0.000 0.807 182 Q CB 2.019 30.708 28.738 -0.081 0.000 1.405 182 Q HN -0.035 nan 8.270 nan 0.000 0.419 183 D N 0.254 120.560 120.400 -0.156 0.000 2.324 183 D HA 0.270 4.910 4.640 -0.000 0.000 0.212 183 D C 0.261 176.337 176.300 -0.373 0.000 0.984 183 D CA 0.818 54.660 54.000 -0.263 0.000 0.885 183 D CB 1.305 41.872 40.800 -0.389 0.000 0.996 183 D HN 0.365 nan 8.370 nan 0.000 0.505 184 I N 0.724 121.085 120.570 -0.350 0.000 2.656 184 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 184 I C -1.203 174.680 176.117 -0.390 0.000 1.144 184 I CA -0.778 60.272 61.300 -0.417 0.000 1.038 184 I CB 3.315 41.013 38.000 -0.502 0.000 1.244 184 I HN -0.414 nan 8.210 nan 0.000 0.420 185 V N 5.754 125.405 119.914 -0.437 0.000 2.569 185 V HA 0.393 4.513 4.120 -0.000 0.000 0.301 185 V C -0.745 175.095 176.094 -0.422 0.000 1.044 185 V CA -0.596 61.498 62.300 -0.343 0.000 0.874 185 V CB 1.771 33.471 31.823 -0.205 0.000 1.002 185 V HN 0.383 nan 8.190 nan 0.000 0.424 186 F N 3.347 123.194 119.950 -0.172 0.000 2.438 186 F HA 0.695 5.222 4.527 -0.000 0.000 0.356 186 F C 0.739 176.443 175.800 -0.160 0.000 1.099 186 F CA -0.028 57.855 58.000 -0.195 0.000 1.185 186 F CB 1.174 40.018 39.000 -0.261 0.000 1.115 186 F HN 0.578 nan 8.300 nan 0.000 0.526 187 A N 2.510 125.323 122.820 -0.011 0.000 2.386 187 A HA 0.946 5.265 4.320 -0.000 0.000 0.311 187 A C -0.029 177.534 177.584 -0.035 0.000 1.068 187 A CA 0.070 52.084 52.037 -0.038 0.000 0.743 187 A CB 1.452 20.402 19.000 -0.084 0.000 1.258 187 A HN 1.042 nan 8.150 nan 0.000 0.429 188 G N -0.343 108.444 108.800 -0.021 0.000 2.452 188 G HA2 0.724 4.684 3.960 -0.000 0.000 0.224 188 G HA3 0.724 4.684 3.960 -0.000 0.000 0.224 188 G C -0.202 174.702 174.900 0.008 0.000 1.208 188 G CA 0.391 45.477 45.100 -0.023 0.000 0.946 188 G HN 2.319 nan 8.290 nan 0.000 0.481 189 G N -2.107 106.703 108.800 0.018 0.000 2.349 189 G HA2 0.803 4.763 3.960 -0.000 0.000 0.294 189 G HA3 0.803 4.763 3.960 -0.000 0.000 0.294 189 G C -0.548 174.393 174.900 0.068 0.000 1.380 189 G CA 0.600 45.728 45.100 0.048 0.000 0.811 189 G HN 1.996 nan 8.290 nan 0.000 0.519 190 G N -1.285 107.571 108.800 0.094 0.000 2.690 190 G HA2 0.704 4.664 3.960 -0.000 0.000 0.291 190 G HA3 0.704 4.664 3.960 -0.000 0.000 0.291 190 G C -1.821 173.163 174.900 0.141 0.000 1.403 190 G CA -0.375 44.811 45.100 0.144 0.000 0.864 190 G HN 0.709 nan 8.290 nan 0.000 0.480 191 E N -0.273 120.046 120.200 0.199 0.000 2.311 191 E HA 0.322 4.672 4.350 -0.000 0.000 0.281 191 E C -0.221 176.511 176.600 0.220 0.000 0.905 191 E CA -0.656 55.837 56.400 0.155 0.000 0.778 191 E CB 1.407 31.165 29.700 0.097 0.000 1.240 191 E HN 0.702 nan 8.360 nan 0.000 0.410 192 E N 3.052 123.341 120.200 0.148 0.000 2.369 192 E HA 0.393 4.743 4.350 -0.000 0.000 0.255 192 E C -0.720 175.944 176.600 0.107 0.000 1.172 192 E CA -0.819 55.665 56.400 0.139 0.000 0.932 192 E CB 1.120 30.851 29.700 0.052 0.000 1.040 192 E HN 0.256 nan 8.360 nan 0.000 0.454 193 L N 2.105 123.367 121.223 0.065 0.000 2.372 193 L HA 0.447 4.787 4.340 -0.000 0.000 0.273 193 L C -1.390 175.504 176.870 0.041 0.000 0.989 193 L CA -0.343 54.494 54.840 -0.005 0.000 0.841 193 L CB 0.882 42.802 42.059 -0.232 0.000 1.225 193 L HN 0.924 nan 8.230 nan 0.000 0.414 194 C N 2.064 121.444 119.300 0.135 0.000 3.284 194 C HA 0.432 4.892 4.460 -0.000 0.000 0.338 194 C C 1.067 176.142 174.990 0.142 0.000 1.237 194 C CA -0.976 58.123 59.018 0.134 0.000 1.276 194 C CB 0.643 28.332 27.740 -0.085 0.000 1.601 194 C HN 1.055 nan 8.230 nan 0.000 0.494 195 W N 1.014 122.424 121.300 0.183 0.000 2.392 195 W HA 0.001 4.661 4.660 -0.000 0.000 0.279 195 W C 1.026 177.601 176.519 0.093 0.000 1.225 195 W CA 1.826 59.242 57.345 0.118 0.000 1.233 195 W CB -0.997 28.495 29.460 0.053 0.000 1.122 195 W HN 0.887 nan 8.180 nan 0.000 0.561 196 E N 0.869 120.408 120.200 -1.102 0.000 2.070 196 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 196 E C 2.354 178.764 176.600 -0.317 0.000 1.004 196 E CA 2.804 58.581 56.400 -1.039 0.000 0.805 196 E CB -0.670 28.474 29.700 -0.926 0.000 0.744 196 E HN 0.363 nan 8.360 nan 0.000 0.451 197 M N -0.585 118.929 119.600 -0.143 0.000 2.325 197 M HA 0.086 4.566 4.480 -0.000 0.000 0.265 197 M C 2.108 178.522 176.300 0.190 0.000 1.094 197 M CA 1.220 56.537 55.300 0.028 0.000 1.161 197 M CB 0.102 32.759 32.600 0.095 0.000 1.358 197 M HN 0.156 nan 8.290 nan 0.000 0.446 198 A N 0.553 123.513 122.820 0.234 0.000 1.908 198 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 198 A C 2.363 180.112 177.584 0.275 0.000 1.181 198 A CA 1.930 54.159 52.037 0.320 0.000 0.627 198 A CB -1.825 17.346 19.000 0.286 0.000 0.818 198 A HN 0.876 nan 8.150 nan 0.000 0.445 199 C N -0.561 118.882 119.300 0.240 0.000 2.411 199 C HA -0.108 4.352 4.460 -0.000 0.000 0.279 199 C C 2.200 177.256 174.990 0.110 0.000 1.288 199 C CA 1.122 60.261 59.018 0.201 0.000 1.764 199 C CB -1.665 26.244 27.740 0.282 0.000 1.974 199 C HN 0.661 nan 8.230 nan 0.000 0.498 200 E N 0.538 120.763 120.200 0.043 0.000 2.058 200 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 200 E C 1.819 178.314 176.600 -0.175 0.000 0.997 200 E CA 1.698 58.026 56.400 -0.119 0.000 0.801 200 E CB -0.353 29.184 29.700 -0.272 0.000 0.746 200 E HN 0.777 nan 8.360 nan 0.000 0.450 201 F N 1.043 120.989 119.950 -0.008 0.000 2.186 201 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 201 F C 2.241 178.016 175.800 -0.041 0.000 1.090 201 F CA 1.119 59.103 58.000 -0.027 0.000 1.307 201 F CB -0.219 38.777 39.000 -0.008 0.000 1.019 201 F HN -0.013 nan 8.300 nan 0.000 0.489 202 D N 0.308 120.796 120.400 0.146 0.000 2.117 202 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 202 D C 2.208 178.539 176.300 0.052 0.000 0.987 202 D CA 1.285 55.327 54.000 0.069 0.000 0.829 202 D CB -0.285 40.558 40.800 0.071 0.000 0.961 202 D HN 0.158 nan 8.370 nan 0.000 0.460 203 A N -0.031 122.817 122.820 0.045 0.000 2.225 203 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 203 A C 2.153 179.751 177.584 0.023 0.000 1.164 203 A CA 1.035 53.088 52.037 0.027 0.000 0.710 203 A CB -0.625 18.384 19.000 0.016 0.000 0.780 203 A HN 0.392 nan 8.150 nan 0.000 0.473 204 M N -1.796 117.824 119.600 0.033 0.000 2.382 204 M HA 0.279 4.759 4.480 -0.000 0.000 0.247 204 M C 1.128 177.483 176.300 0.092 0.000 1.104 204 M CA 0.983 56.315 55.300 0.054 0.000 1.030 204 M CB 0.476 33.102 32.600 0.044 0.000 1.424 204 M HN 0.582 nan 8.290 nan 0.000 0.486 205 G N 0.464 109.308 108.800 0.074 0.000 2.143 205 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.248 205 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.248 205 G C 0.642 175.592 174.900 0.083 0.000 0.991 205 G CA 0.453 45.593 45.100 0.067 0.000 0.689 205 G HN 0.649 nan 8.290 nan 0.000 0.522 206 A N -0.871 122.011 122.820 0.102 0.000 2.132 206 A HA 0.652 4.972 4.320 -0.000 0.000 0.213 206 A C 1.235 178.674 177.584 -0.241 0.000 1.154 206 A CA 0.656 52.761 52.037 0.112 0.000 0.753 206 A CB 0.139 19.384 19.000 0.409 0.000 0.826 206 A HN 0.636 nan 8.150 nan 0.000 0.469 207 L N 0.251 121.308 121.223 -0.277 0.000 2.357 207 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 207 L C 0.777 177.560 176.870 -0.144 0.000 1.080 207 L CA -0.558 54.055 54.840 -0.379 0.000 0.803 207 L CB 1.558 43.449 42.059 -0.280 0.000 1.174 207 L HN 0.186 nan 8.230 nan 0.000 0.443 208 S N 0.398 116.042 115.700 -0.095 0.000 2.560 208 S HA 0.130 4.600 4.470 -0.000 0.000 0.284 208 S C 0.765 175.373 174.600 0.014 0.000 1.327 208 S CA 0.252 58.468 58.200 0.026 0.000 1.055 208 S CB 0.488 63.737 63.200 0.083 0.000 0.868 208 S HN 0.836 nan 8.310 nan 0.000 0.506 209 T N 1.074 115.643 114.554 0.025 0.000 3.080 209 T HA 0.336 4.686 4.350 -0.000 0.000 0.280 209 T C 0.739 175.389 174.700 -0.083 0.000 0.926 209 T CA -0.478 61.587 62.100 -0.059 0.000 0.883 209 T CB -0.133 68.685 68.868 -0.083 0.000 1.194 209 T HN 0.608 nan 8.240 nan 0.000 0.541 210 K N 0.353 120.715 120.400 -0.062 0.000 2.404 210 K HA 0.262 4.582 4.320 -0.000 0.000 0.194 210 K C -0.381 175.904 176.600 -0.524 0.000 1.023 210 K CA 0.223 56.334 56.287 -0.293 0.000 1.094 210 K CB 0.150 32.410 32.500 -0.401 0.000 0.841 210 K HN 0.449 nan 8.250 nan 0.000 0.523 211 Y N -0.375 119.917 120.300 -0.013 0.000 2.715 211 Y HA 0.195 4.745 4.550 -0.000 0.000 0.255 211 Y C 0.814 176.731 175.900 0.027 0.000 1.139 211 Y CA -0.687 57.418 58.100 0.008 0.000 1.151 211 Y CB 0.132 38.604 38.460 0.020 0.000 1.201 211 Y HN -0.002 nan 8.280 nan 0.000 0.556 212 N N 0.684 119.445 118.700 0.102 0.000 2.272 212 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 212 N C 0.963 176.578 175.510 0.175 0.000 1.014 212 N CA 1.468 54.613 53.050 0.159 0.000 0.870 212 N CB 0.046 38.599 38.487 0.109 0.000 0.975 212 N HN 0.463 nan 8.380 nan 0.000 0.433 213 D N -0.229 120.223 120.400 0.087 0.000 2.277 213 D HA -0.031 4.609 4.640 -0.000 0.000 0.208 213 D C 0.537 176.870 176.300 0.056 0.000 0.962 213 D CA 0.914 54.934 54.000 0.035 0.000 0.865 213 D CB 0.100 40.900 40.800 -0.000 0.000 0.939 213 D HN 0.335 nan 8.370 nan 0.000 0.510 214 T N -1.886 112.736 114.554 0.113 0.000 3.410 214 T HA 0.342 4.692 4.350 -0.000 0.000 0.328 214 T C -2.296 172.488 174.700 0.141 0.000 1.567 214 T CA -1.742 60.427 62.100 0.115 0.000 1.626 214 T CB 1.840 70.784 68.868 0.127 0.000 0.939 214 T HN -0.284 nan 8.240 nan 0.000 0.656 215 P HA -0.201 nan 4.420 nan 0.000 0.217 215 P C 1.380 178.743 177.300 0.105 0.000 1.158 215 P CA 1.455 64.647 63.100 0.153 0.000 0.887 215 P CB 0.113 31.924 31.700 0.185 0.000 0.792 216 E N -0.708 119.541 120.200 0.081 0.000 2.409 216 E HA -0.142 4.208 4.350 -0.000 0.000 0.198 216 E C 1.342 177.948 176.600 0.010 0.000 1.024 216 E CA 0.759 57.188 56.400 0.048 0.000 0.861 216 E CB -0.305 29.419 29.700 0.040 0.000 0.788 216 E HN 0.422 nan 8.360 nan 0.000 0.521 217 K N -0.156 120.245 120.400 0.002 0.000 2.358 217 K HA 0.207 4.527 4.320 -0.000 0.000 0.200 217 K C 1.762 178.205 176.600 -0.262 0.000 1.030 217 K CA 0.250 56.487 56.287 -0.083 0.000 1.097 217 K CB 0.653 33.138 32.500 -0.026 0.000 0.862 217 K HN -0.014 nan 8.250 nan 0.000 0.534 218 A N 1.157 123.891 122.820 -0.144 0.000 1.877 218 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 218 A C 1.380 178.840 177.584 -0.206 0.000 1.186 218 A CA 1.181 53.107 52.037 -0.185 0.000 0.620 218 A CB -0.169 18.863 19.000 0.054 0.000 0.822 218 A HN 0.158 nan 8.150 nan 0.000 0.443 219 S N 0.441 116.083 115.700 -0.098 0.000 2.422 219 S HA 0.417 4.887 4.470 -0.000 0.000 0.283 219 S C 0.256 174.787 174.600 -0.116 0.000 1.163 219 S CA -0.561 57.598 58.200 -0.069 0.000 1.054 219 S CB -0.178 63.015 63.200 -0.012 0.000 0.967 219 S HN 0.495 nan 8.310 nan 0.000 0.499 220 R N 2.548 122.967 120.500 -0.134 0.000 2.638 220 R HA 0.224 4.564 4.340 -0.000 0.000 0.261 220 R C -0.700 175.530 176.300 -0.116 0.000 1.515 220 R CA -0.650 55.377 56.100 -0.122 0.000 1.623 220 R CB -0.739 29.467 30.300 -0.157 0.000 1.347 220 R HN 0.372 nan 8.270 nan 0.000 0.705 221 T N 2.261 116.703 114.554 -0.187 0.000 2.849 221 T HA -0.093 4.257 4.350 -0.000 0.000 0.289 221 T C -0.098 174.388 174.700 -0.357 0.000 1.010 221 T CA 0.956 62.816 62.100 -0.400 0.000 1.161 221 T CB -0.136 68.368 68.868 -0.607 0.000 0.989 221 T HN 0.578 nan 8.240 nan 0.000 0.523 222 Y N -1.092 119.210 120.300 0.003 0.000 4.884 222 Y HA -0.203 4.347 4.550 -0.000 0.000 0.276 222 Y C 0.696 176.602 175.900 0.009 0.000 0.915 222 Y CA 0.390 58.494 58.100 0.007 0.000 1.768 222 Y CB -2.219 36.244 38.460 0.005 0.000 1.172 222 Y HN 0.766 nan 8.280 nan 0.000 0.470 223 D N 0.663 121.125 120.400 0.104 0.000 2.350 223 D HA 0.557 5.197 4.640 -0.000 0.000 0.249 223 D C 1.298 177.638 176.300 0.067 0.000 1.119 223 D CA 0.795 54.849 54.000 0.090 0.000 0.886 223 D CB 1.307 42.145 40.800 0.063 0.000 1.195 223 D HN 0.281 nan 8.370 nan 0.000 0.437 224 A N 3.381 126.226 122.820 0.041 0.000 2.032 224 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 224 A C 1.164 178.599 177.584 -0.247 0.000 1.165 224 A CA 1.477 53.447 52.037 -0.112 0.000 0.645 224 A CB -0.631 18.253 19.000 -0.193 0.000 0.807 224 A HN 0.792 nan 8.150 nan 0.000 0.453 225 H N -0.278 118.845 119.070 0.088 0.000 2.524 225 H HA 0.209 4.765 4.556 -0.000 0.000 0.299 225 H C 0.517 175.939 175.328 0.158 0.000 1.074 225 H CA -0.242 55.886 56.048 0.132 0.000 1.115 225 H CB -0.072 29.799 29.762 0.182 0.000 1.522 225 H HN 0.612 nan 8.280 nan 0.000 0.543 226 R N 1.129 121.710 120.500 0.135 0.000 2.694 226 R HA 0.075 4.415 4.340 -0.000 0.000 0.268 226 R C -0.446 175.939 176.300 0.142 0.000 1.061 226 R CA 0.097 56.253 56.100 0.093 0.000 1.133 226 R CB 0.539 30.856 30.300 0.028 0.000 1.020 226 R HN 0.235 nan 8.270 nan 0.000 0.475 227 D N 0.057 120.549 120.400 0.153 0.000 2.914 227 D HA 0.223 4.863 4.640 -0.000 0.000 0.349 227 D C -0.031 176.330 176.300 0.102 0.000 1.540 227 D CA 0.003 54.090 54.000 0.144 0.000 0.778 227 D CB 0.391 41.306 40.800 0.191 0.000 1.213 227 D HN 0.919 nan 8.370 nan 0.000 0.451 228 G N 0.360 109.216 108.800 0.093 0.000 2.406 228 G HA2 0.249 4.209 3.960 -0.000 0.000 0.680 228 G HA3 0.249 4.209 3.960 -0.000 0.000 0.680 228 G C -0.578 174.377 174.900 0.092 0.000 1.338 228 G CA -0.692 44.451 45.100 0.073 0.000 0.941 228 G HN 0.305 nan 8.290 nan 0.000 0.633 229 F N -0.623 119.375 119.950 0.080 0.000 2.368 229 F HA 0.824 5.351 4.527 -0.000 0.000 0.315 229 F C 0.277 176.115 175.800 0.063 0.000 1.145 229 F CA -1.431 56.603 58.000 0.058 0.000 1.095 229 F CB 1.157 40.216 39.000 0.098 0.000 1.286 229 F HN 0.394 nan 8.300 nan 0.000 0.530 230 V N 3.648 123.758 119.914 0.326 0.000 2.334 230 V HA 0.257 4.376 4.120 -0.000 0.000 0.281 230 V C 0.214 176.518 176.094 0.350 0.000 1.016 230 V CA -0.859 61.567 62.300 0.210 0.000 0.832 230 V CB 1.008 32.929 31.823 0.163 0.000 0.999 230 V HN 0.835 nan 8.190 nan 0.000 0.439 231 I N 4.609 125.345 120.570 0.277 0.000 2.813 231 I HA 0.473 4.643 4.170 -0.000 0.000 0.287 231 I C 0.521 176.765 176.117 0.213 0.000 1.196 231 I CA 0.562 62.026 61.300 0.274 0.000 1.421 231 I CB 0.873 38.977 38.000 0.173 0.000 1.365 231 I HN 0.800 nan 8.210 nan 0.000 0.591 232 A N 4.837 127.728 122.820 0.118 0.000 2.583 232 A HA 0.878 5.198 4.320 -0.000 0.000 0.289 232 A C -0.644 176.927 177.584 -0.023 0.000 1.151 232 A CA -0.105 51.953 52.037 0.034 0.000 0.695 232 A CB 1.301 20.327 19.000 0.043 0.000 1.290 232 A HN 0.832 nan 8.150 nan 0.000 0.419 233 G N -1.876 106.861 108.800 -0.104 0.000 2.730 233 G HA2 0.926 4.886 3.960 -0.000 0.000 0.289 233 G HA3 0.926 4.886 3.960 -0.000 0.000 0.289 233 G C -0.097 174.664 174.900 -0.232 0.000 1.341 233 G CA -0.230 44.816 45.100 -0.090 0.000 0.932 233 G HN 2.284 nan 8.290 nan 0.000 0.481 234 G N -2.070 106.563 108.800 -0.278 0.000 2.362 234 G HA2 0.615 4.575 3.960 -0.000 0.000 0.288 234 G HA3 0.615 4.575 3.960 -0.000 0.000 0.288 234 G C -0.397 174.450 174.900 -0.088 0.000 1.305 234 G CA 0.208 45.016 45.100 -0.487 0.000 0.910 234 G HN 1.888 nan 8.290 nan 0.000 0.518 235 G N -1.854 106.909 108.800 -0.063 0.000 2.695 235 G HA2 1.041 5.001 3.960 -0.000 0.000 0.290 235 G HA3 1.041 5.001 3.960 -0.000 0.000 0.290 235 G C -0.340 174.554 174.900 -0.009 0.000 1.410 235 G CA 0.203 45.336 45.100 0.055 0.000 0.844 235 G HN 2.063 nan 8.290 nan 0.000 0.478 236 G N -1.295 107.498 108.800 -0.011 0.000 2.703 236 G HA2 0.667 4.627 3.960 -0.000 0.000 0.294 236 G HA3 0.667 4.627 3.960 -0.000 0.000 0.294 236 G C -1.714 173.156 174.900 -0.051 0.000 1.451 236 G CA -0.587 44.478 45.100 -0.057 0.000 0.869 236 G HN 0.951 nan 8.290 nan 0.000 0.516 237 M N 0.972 120.530 119.600 -0.070 0.000 2.365 237 M HA 0.636 5.116 4.480 -0.000 0.000 0.288 237 M C -1.085 175.173 176.300 -0.070 0.000 1.152 237 M CA -0.639 54.624 55.300 -0.061 0.000 0.948 237 M CB 2.250 34.808 32.600 -0.070 0.000 1.729 237 M HN 1.205 nan 8.290 nan 0.000 0.487 238 V N 1.559 121.435 119.914 -0.064 0.000 2.914 238 V HA 0.921 5.041 4.120 -0.000 0.000 0.314 238 V C -1.146 174.906 176.094 -0.070 0.000 1.084 238 V CA -0.936 61.316 62.300 -0.080 0.000 0.963 238 V CB 1.884 33.636 31.823 -0.118 0.000 1.025 238 V HN 0.611 nan 8.190 nan 0.000 0.432 239 V N 3.250 123.110 119.914 -0.090 0.000 2.348 239 V HA 0.373 4.493 4.120 -0.000 0.000 0.270 239 V C 0.121 176.088 176.094 -0.212 0.000 1.037 239 V CA -0.382 61.786 62.300 -0.219 0.000 0.872 239 V CB 1.114 32.820 31.823 -0.194 0.000 1.002 239 V HN 0.728 nan 8.190 nan 0.000 0.464 240 V N 5.137 124.894 119.914 -0.261 0.000 2.406 240 V HA 0.452 4.571 4.120 -0.000 0.000 0.272 240 V C 0.093 176.047 176.094 -0.234 0.000 1.043 240 V CA -0.244 61.936 62.300 -0.200 0.000 0.915 240 V CB 1.296 33.010 31.823 -0.182 0.000 0.988 240 V HN 0.974 nan 8.190 nan 0.000 0.466 241 E N 2.808 122.905 120.200 -0.171 0.000 2.340 241 E HA 0.334 4.684 4.350 -0.000 0.000 0.273 241 E C -0.816 175.721 176.600 -0.104 0.000 0.891 241 E CA -0.749 55.548 56.400 -0.172 0.000 0.757 241 E CB 1.800 31.412 29.700 -0.146 0.000 1.231 241 E HN 0.684 nan 8.360 nan 0.000 0.439 242 E N 3.983 124.124 120.200 -0.098 0.000 2.344 242 E HA -0.024 4.326 4.350 -0.000 0.000 0.270 242 E C 0.864 177.469 176.600 0.009 0.000 1.021 242 E CA -0.131 56.247 56.400 -0.036 0.000 0.887 242 E CB 1.104 30.790 29.700 -0.023 0.000 0.997 242 E HN 0.641 nan 8.360 nan 0.000 0.429 243 L N 5.820 127.044 121.223 0.001 0.000 2.010 243 L HA -0.269 4.071 4.340 -0.000 0.000 0.219 243 L C 1.872 178.754 176.870 0.020 0.000 1.077 243 L CA 2.049 56.891 54.840 0.004 0.000 0.773 243 L CB -0.447 41.610 42.059 -0.004 0.000 0.892 243 L HN 0.563 nan 8.230 nan 0.000 0.436 244 E N -1.090 119.127 120.200 0.028 0.000 2.058 244 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 244 E C 2.261 178.882 176.600 0.035 0.000 0.997 244 E CA 1.461 57.874 56.400 0.023 0.000 0.801 244 E CB -0.744 28.969 29.700 0.021 0.000 0.746 244 E HN 0.671 nan 8.360 nan 0.000 0.450 245 H N 0.519 119.573 119.070 -0.026 0.000 2.352 245 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 245 H C 1.822 177.133 175.328 -0.028 0.000 1.097 245 H CA 1.850 57.882 56.048 -0.026 0.000 1.311 245 H CB 0.116 29.858 29.762 -0.033 0.000 1.377 245 H HN 0.131 nan 8.280 nan 0.000 0.504 246 A N 0.979 123.887 122.820 0.147 0.000 1.898 246 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 246 A C 2.911 180.501 177.584 0.011 0.000 1.181 246 A CA 1.076 53.159 52.037 0.076 0.000 0.620 246 A CB -0.768 18.249 19.000 0.029 0.000 0.819 246 A HN 0.403 nan 8.150 nan 0.000 0.442 247 L N -0.769 120.451 121.223 -0.004 0.000 2.056 247 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 247 L C 3.094 179.944 176.870 -0.033 0.000 1.078 247 L CA 1.016 55.844 54.840 -0.020 0.000 0.749 247 L CB -0.579 41.469 42.059 -0.018 0.000 0.901 247 L HN 0.433 nan 8.230 nan 0.000 0.433 248 A N 1.123 123.910 122.820 -0.054 0.000 1.933 248 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 248 A C 2.254 179.792 177.584 -0.078 0.000 1.175 248 A CA 1.800 53.790 52.037 -0.077 0.000 0.628 248 A CB -0.528 18.398 19.000 -0.122 0.000 0.814 248 A HN 0.572 nan 8.150 nan 0.000 0.444 249 R N -1.098 119.352 120.500 -0.083 0.000 2.317 249 R HA 0.325 4.665 4.340 -0.000 0.000 0.208 249 R C 0.981 177.270 176.300 -0.020 0.000 0.914 249 R CA 0.666 56.733 56.100 -0.055 0.000 1.060 249 R CB -0.649 29.619 30.300 -0.052 0.000 1.015 249 R HN 0.772 nan 8.270 nan 0.000 0.498 250 G N 0.771 109.560 108.800 -0.019 0.000 2.221 250 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.265 250 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.265 250 G C 0.283 175.186 174.900 0.004 0.000 1.041 250 G CA 0.163 45.258 45.100 -0.008 0.000 0.807 250 G HN 0.717 nan 8.290 nan 0.000 0.502 251 A N -0.365 122.459 122.820 0.006 0.000 2.425 251 A HA 0.564 4.884 4.320 -0.000 0.000 0.242 251 A C 0.445 178.032 177.584 0.005 0.000 1.077 251 A CA 0.400 52.447 52.037 0.018 0.000 0.781 251 A CB 0.258 19.270 19.000 0.019 0.000 1.020 251 A HN 1.458 nan 8.150 nan 0.000 0.494 252 H N 1.122 120.139 119.070 -0.087 0.000 2.800 252 H HA 0.480 5.036 4.556 -0.000 0.000 0.291 252 H C -0.664 174.542 175.328 -0.203 0.000 1.076 252 H CA -0.287 55.661 56.048 -0.166 0.000 1.452 252 H CB -0.024 29.601 29.762 -0.230 0.000 1.461 252 H HN 0.419 nan 8.280 nan 0.000 0.488 253 I N 7.135 127.318 120.570 -0.646 0.000 2.312 253 I HA 0.016 4.186 4.170 -0.000 0.000 0.290 253 I C 0.114 175.849 176.117 -0.636 0.000 1.008 253 I CA -0.415 60.591 61.300 -0.490 0.000 1.226 253 I CB 0.788 38.654 38.000 -0.223 0.000 1.371 253 I HN 0.741 nan 8.210 nan 0.000 0.468 254 Y N 5.193 125.259 120.300 -0.390 0.000 2.153 254 Y HA 0.192 4.742 4.550 -0.000 0.000 0.289 254 Y C 1.276 177.092 175.900 -0.140 0.000 1.127 254 Y CA 1.061 59.021 58.100 -0.233 0.000 1.131 254 Y CB 0.102 38.500 38.460 -0.103 0.000 0.995 254 Y HN 0.671 nan 8.280 nan 0.000 0.505 255 A N -0.866 121.988 122.820 0.056 0.000 2.544 255 A HA 0.408 4.728 4.320 -0.000 0.000 0.291 255 A C -1.468 176.115 177.584 -0.001 0.000 1.055 255 A CA -0.830 51.217 52.037 0.017 0.000 0.651 255 A CB 0.647 19.668 19.000 0.035 0.000 1.296 255 A HN 0.082 nan 8.150 nan 0.000 0.431 256 E N 0.341 120.538 120.200 -0.005 0.000 2.204 256 E HA 0.612 4.962 4.350 -0.000 0.000 0.276 256 E C -1.140 175.459 176.600 -0.002 0.000 0.974 256 E CA -0.600 55.795 56.400 -0.008 0.000 0.815 256 E CB 0.917 30.613 29.700 -0.006 0.000 1.119 256 E HN 0.481 nan 8.360 nan 0.000 0.393 257 I N 5.740 126.306 120.570 -0.008 0.000 2.281 257 I HA 0.029 4.199 4.170 -0.000 0.000 0.293 257 I C 1.053 177.183 176.117 0.021 0.000 1.085 257 I CA -0.298 61.002 61.300 -0.001 0.000 1.257 257 I CB 0.881 38.866 38.000 -0.025 0.000 1.430 257 I HN 0.509 nan 8.210 nan 0.000 0.489 258 V N 2.676 122.609 119.914 0.033 0.000 3.608 258 V HA 0.445 4.565 4.120 -0.000 0.000 0.269 258 V C 0.770 176.903 176.094 0.065 0.000 1.245 258 V CA 0.251 62.577 62.300 0.043 0.000 1.138 258 V CB -0.282 31.563 31.823 0.036 0.000 0.841 258 V HN 0.688 nan 8.190 nan 0.000 0.451 259 G N -0.549 108.300 108.800 0.082 0.000 2.746 259 G HA2 0.541 4.501 3.960 -0.000 0.000 0.297 259 G HA3 0.541 4.501 3.960 -0.000 0.000 0.297 259 G C -2.281 172.726 174.900 0.179 0.000 1.426 259 G CA -0.576 44.590 45.100 0.111 0.000 0.989 259 G HN 0.325 nan 8.290 nan 0.000 0.520 260 Y N 1.332 121.646 120.300 0.024 0.000 2.330 260 Y HA 0.672 5.222 4.550 -0.000 0.000 0.324 260 Y C -0.119 175.802 175.900 0.034 0.000 1.093 260 Y CA -1.202 56.911 58.100 0.022 0.000 1.103 260 Y CB 1.649 40.121 38.460 0.021 0.000 1.183 260 Y HN 0.831 nan 8.280 nan 0.000 0.433 261 G N 3.072 111.768 108.800 -0.174 0.000 2.388 261 G HA2 0.755 4.715 3.960 -0.000 0.000 0.330 261 G HA3 0.755 4.715 3.960 -0.000 0.000 0.330 261 G C -1.612 173.082 174.900 -0.344 0.000 1.142 261 G CA -0.588 44.350 45.100 -0.270 0.000 0.908 261 G HN 1.185 nan 8.290 nan 0.000 0.473 262 A N 1.390 124.034 122.820 -0.294 0.000 2.497 262 A HA 0.832 5.152 4.320 -0.000 0.000 0.280 262 A C -0.043 177.526 177.584 -0.025 0.000 1.065 262 A CA -0.024 51.977 52.037 -0.061 0.000 0.781 262 A CB 1.186 20.131 19.000 -0.092 0.000 1.289 262 A HN 1.572 nan 8.150 nan 0.000 0.415 263 T N -1.462 113.120 114.554 0.047 0.000 2.716 263 T HA 0.872 5.222 4.350 -0.000 0.000 0.286 263 T C -0.281 174.434 174.700 0.025 0.000 1.052 263 T CA -0.396 61.708 62.100 0.006 0.000 1.024 263 T CB 1.691 70.545 68.868 -0.022 0.000 1.349 263 T HN 1.518 nan 8.240 nan 0.000 0.525 264 S N -1.035 114.662 115.700 -0.006 0.000 2.541 264 S HA 0.470 4.940 4.470 -0.000 0.000 0.280 264 S C -0.283 174.301 174.600 -0.026 0.000 1.112 264 S CA -0.576 57.621 58.200 -0.005 0.000 0.925 264 S CB 1.643 64.839 63.200 -0.007 0.000 1.067 264 S HN 0.690 nan 8.310 nan 0.000 0.479 265 D N 2.890 123.273 120.400 -0.030 0.000 2.103 265 D HA 0.161 4.801 4.640 -0.000 0.000 0.199 265 D C 1.519 177.803 176.300 -0.027 0.000 0.978 265 D CA 1.640 55.613 54.000 -0.044 0.000 0.829 265 D CB -0.522 40.247 40.800 -0.051 0.000 0.981 265 D HN 1.076 nan 8.370 nan 0.000 0.464 266 G N -0.137 108.655 108.800 -0.012 0.000 2.273 266 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.280 266 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.280 266 G C 0.617 175.513 174.900 -0.006 0.000 1.047 266 G CA 0.954 46.050 45.100 -0.007 0.000 0.869 266 G HN 0.628 nan 8.290 nan 0.000 0.502 267 A N -1.165 121.652 122.820 -0.004 0.000 1.780 267 A HA 0.624 4.944 4.320 -0.000 0.000 0.178 267 A C 0.540 178.130 177.584 0.010 0.000 2.054 267 A CA 0.939 52.975 52.037 -0.002 0.000 1.289 267 A CB 0.391 19.383 19.000 -0.013 0.000 0.942 267 A HN 0.414 nan 8.150 nan 0.000 0.659 268 D N -0.605 119.803 120.400 0.013 0.000 2.163 268 D HA 0.422 5.062 4.640 -0.000 0.000 0.248 268 D C 0.599 176.930 176.300 0.051 0.000 1.035 268 D CA -0.451 53.567 54.000 0.031 0.000 0.872 268 D CB 1.871 42.689 40.800 0.030 0.000 1.183 268 D HN 0.123 nan 8.370 nan 0.000 0.445 269 M N 3.129 122.773 119.600 0.073 0.000 2.175 269 M HA -0.128 4.352 4.480 -0.000 0.000 0.264 269 M C 1.446 177.852 176.300 0.177 0.000 1.063 269 M CA 1.695 57.059 55.300 0.107 0.000 1.119 269 M CB -0.024 32.634 32.600 0.096 0.000 1.377 269 M HN 0.411 nan 8.290 nan 0.000 0.415 270 V N -3.835 116.190 119.914 0.186 0.000 3.604 270 V HA 0.616 4.736 4.120 -0.000 0.000 0.277 270 V C 0.612 176.785 176.094 0.132 0.000 1.399 270 V CA 0.021 62.501 62.300 0.300 0.000 1.034 270 V CB -1.115 30.935 31.823 0.377 0.000 0.824 270 V HN 0.246 nan 8.190 nan 0.000 0.439 271 A N 2.280 125.143 122.820 0.071 0.000 2.340 271 A HA 0.898 5.218 4.320 -0.000 0.000 0.331 271 A C -2.757 174.815 177.584 -0.021 0.000 1.140 271 A CA -1.928 50.123 52.037 0.024 0.000 0.801 271 A CB 0.872 19.898 19.000 0.044 0.000 1.234 271 A HN 0.271 nan 8.150 nan 0.000 0.469 272 P HA 0.150 nan 4.420 nan 0.000 0.278 272 P C 0.533 177.786 177.300 -0.077 0.000 1.238 272 P CA -0.066 62.980 63.100 -0.090 0.000 0.794 272 P CB 1.604 33.242 31.700 -0.103 0.000 0.955 273 S N 1.309 116.948 115.700 -0.102 0.000 2.470 273 S HA 0.179 4.649 4.470 -0.000 0.000 0.222 273 S C 1.643 176.184 174.600 -0.097 0.000 1.024 273 S CA 0.889 59.041 58.200 -0.079 0.000 0.931 273 S CB -0.967 62.191 63.200 -0.071 0.000 0.791 273 S HN 0.716 nan 8.310 nan 0.000 0.513 274 G N 1.955 110.661 108.800 -0.158 0.000 2.498 274 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.229 274 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.229 274 G C 0.950 175.758 174.900 -0.153 0.000 1.156 274 G CA 0.592 45.596 45.100 -0.161 0.000 0.680 274 G HN 0.481 nan 8.290 nan 0.000 0.512 275 E N 1.911 122.044 120.200 -0.112 0.000 2.110 275 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 275 E C 2.597 179.131 176.600 -0.110 0.000 0.988 275 E CA 2.207 58.552 56.400 -0.091 0.000 0.804 275 E CB -0.941 28.720 29.700 -0.066 0.000 0.745 275 E HN 0.655 nan 8.360 nan 0.000 0.458 276 G N 0.602 109.319 108.800 -0.139 0.000 2.408 276 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 276 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 276 G C 1.721 176.504 174.900 -0.194 0.000 1.150 276 G CA 1.062 46.077 45.100 -0.142 0.000 0.776 276 G HN 0.411 nan 8.290 nan 0.000 0.542 277 A N 0.188 122.807 122.820 -0.335 0.000 1.930 277 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 277 A C 2.577 180.066 177.584 -0.160 0.000 1.175 277 A CA 1.599 53.367 52.037 -0.449 0.000 0.627 277 A CB -0.526 17.976 19.000 -0.830 0.000 0.815 277 A HN 0.221 nan 8.150 nan 0.000 0.443 278 V N 0.117 119.954 119.914 -0.129 0.000 2.255 278 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 278 V C 2.661 178.716 176.094 -0.065 0.000 1.051 278 V CA 2.372 64.626 62.300 -0.076 0.000 1.018 278 V CB -0.789 30.991 31.823 -0.072 0.000 0.641 278 V HN 0.544 nan 8.190 nan 0.000 0.445 279 R N -1.084 119.376 120.500 -0.067 0.000 2.096 279 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 279 R C 2.404 178.681 176.300 -0.038 0.000 1.127 279 R CA 1.705 57.773 56.100 -0.052 0.000 0.968 279 R CB -0.932 29.335 30.300 -0.053 0.000 0.861 279 R HN 0.574 nan 8.270 nan 0.000 0.440 280 C N 0.741 120.026 119.300 -0.025 0.000 2.432 280 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 280 C C 2.604 177.613 174.990 0.032 0.000 1.249 280 C CA 0.906 59.933 59.018 0.014 0.000 1.725 280 C CB -0.666 27.129 27.740 0.091 0.000 2.028 280 C HN 0.463 nan 8.230 nan 0.000 0.477 281 M N 0.063 119.692 119.600 0.049 0.000 2.132 281 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 281 M C 2.289 178.574 176.300 -0.026 0.000 1.065 281 M CA 1.749 57.075 55.300 0.044 0.000 1.122 281 M CB -0.460 32.180 32.600 0.066 0.000 1.365 281 M HN 0.367 nan 8.290 nan 0.000 0.411 282 K N 0.065 120.429 120.400 -0.060 0.000 2.097 282 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 282 K C 1.989 178.589 176.600 0.000 0.000 1.049 282 K CA 1.407 57.654 56.287 -0.067 0.000 0.933 282 K CB -0.251 32.211 32.500 -0.064 0.000 0.717 282 K HN 0.360 nan 8.250 nan 0.000 0.442 283 M N 0.534 120.133 119.600 -0.002 0.000 2.117 283 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 283 M C 2.062 178.377 176.300 0.025 0.000 1.065 283 M CA 1.679 56.980 55.300 0.001 0.000 1.114 283 M CB -0.077 32.486 32.600 -0.061 0.000 1.361 283 M HN 0.172 nan 8.290 nan 0.000 0.408 284 A N -0.160 122.671 122.820 0.018 0.000 2.119 284 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 284 A C 1.766 179.388 177.584 0.063 0.000 1.153 284 A CA 1.003 53.069 52.037 0.049 0.000 0.692 284 A CB -0.377 18.661 19.000 0.062 0.000 0.799 284 A HN 0.551 nan 8.150 nan 0.000 0.458 285 M N -0.367 119.258 119.600 0.043 0.000 2.495 285 M HA 0.103 4.583 4.480 -0.000 0.000 0.237 285 M C 0.309 176.621 176.300 0.020 0.000 1.131 285 M CA 0.163 55.476 55.300 0.021 0.000 1.032 285 M CB -0.874 31.698 32.600 -0.046 0.000 1.513 285 M HN 0.390 nan 8.290 nan 0.000 0.488 286 H N 0.748 119.805 119.070 -0.022 0.000 3.026 286 H HA 0.210 4.765 4.556 -0.000 0.000 0.289 286 H C 1.136 176.460 175.328 -0.007 0.000 1.022 286 H CA 1.869 57.905 56.048 -0.020 0.000 1.477 286 H CB 0.441 30.189 29.762 -0.023 0.000 1.510 286 H HN 0.630 nan 8.280 nan 0.000 0.535 287 G N 3.918 112.653 108.800 -0.107 0.000 2.199 287 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.254 287 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.254 287 G C 0.193 175.088 174.900 -0.008 0.000 0.982 287 G CA 0.242 45.331 45.100 -0.018 0.000 0.632 287 G HN 0.577 nan 8.290 nan 0.000 0.529 288 V N 2.264 122.174 119.914 -0.006 0.000 2.356 288 V HA 0.289 4.409 4.120 -0.000 0.000 0.258 288 V C 0.631 176.723 176.094 -0.003 0.000 1.065 288 V CA 0.199 62.505 62.300 0.010 0.000 0.935 288 V CB 1.242 33.083 31.823 0.031 0.000 1.061 288 V HN 0.288 nan 8.190 nan 0.000 0.484 289 D N 2.117 122.515 120.400 -0.003 0.000 2.339 289 D HA 0.023 4.663 4.640 -0.000 0.000 0.217 289 D C 1.225 177.532 176.300 0.011 0.000 1.050 289 D CA 0.349 54.346 54.000 -0.005 0.000 0.856 289 D CB 0.595 41.388 40.800 -0.011 0.000 0.922 289 D HN 0.668 nan 8.370 nan 0.000 0.518 290 T N 0.291 114.858 114.554 0.021 0.000 2.909 290 T HA 0.394 4.744 4.350 -0.000 0.000 0.289 290 T C -2.351 172.377 174.700 0.047 0.000 1.005 290 T CA -1.560 60.557 62.100 0.029 0.000 1.084 290 T CB 2.004 70.888 68.868 0.027 0.000 0.975 290 T HN -0.168 nan 8.240 nan 0.000 0.509 291 P HA 0.297 nan 4.420 nan 0.000 0.274 291 P C -0.434 176.907 177.300 0.068 0.000 1.237 291 P CA -0.726 62.417 63.100 0.072 0.000 0.793 291 P CB 0.568 32.299 31.700 0.052 0.000 0.977 292 I N 2.982 123.604 120.570 0.087 0.000 2.379 292 I HA 0.028 4.198 4.170 -0.000 0.000 0.290 292 I C 1.278 177.374 176.117 -0.035 0.000 1.063 292 I CA 0.351 61.666 61.300 0.026 0.000 1.351 292 I CB 0.028 38.022 38.000 -0.010 0.000 1.410 292 I HN 0.312 nan 8.210 nan 0.000 0.505 293 D N 5.178 125.580 120.400 0.004 0.000 2.305 293 D HA -0.063 4.577 4.640 -0.000 0.000 0.206 293 D C -0.033 176.310 176.300 0.072 0.000 0.974 293 D CA 1.183 55.197 54.000 0.023 0.000 0.871 293 D CB 0.463 41.287 40.800 0.039 0.000 0.947 293 D HN 0.517 nan 8.370 nan 0.000 0.516 294 Y N 0.250 120.496 120.300 -0.091 0.000 2.480 294 Y HA 0.424 4.974 4.550 -0.000 0.000 0.329 294 Y C -2.149 173.693 175.900 -0.097 0.000 1.127 294 Y CA -1.085 56.955 58.100 -0.100 0.000 1.037 294 Y CB 1.180 39.584 38.460 -0.094 0.000 1.320 294 Y HN -0.234 nan 8.280 nan 0.000 0.446 295 L N 7.179 127.796 121.223 -1.010 0.000 2.343 295 L HA 0.502 4.842 4.340 -0.000 0.000 0.278 295 L C -1.110 175.148 176.870 -1.021 0.000 0.996 295 L CA -0.526 53.835 54.840 -0.799 0.000 0.831 295 L CB 0.933 42.730 42.059 -0.436 0.000 1.232 295 L HN 0.805 nan 8.230 nan 0.000 0.413 296 N N 3.678 121.936 118.700 -0.737 0.000 2.469 296 N HA 0.121 4.861 4.740 -0.000 0.000 0.239 296 N C -0.331 175.075 175.510 -0.173 0.000 1.053 296 N CA -0.217 52.638 53.050 -0.326 0.000 0.937 296 N CB 1.004 39.468 38.487 -0.039 0.000 1.163 296 N HN 0.726 nan 8.380 nan 0.000 0.509 297 S N 2.618 118.258 115.700 -0.101 0.000 2.600 297 S HA -0.006 4.464 4.470 -0.000 0.000 0.265 297 S C 1.272 175.829 174.600 -0.072 0.000 1.325 297 S CA -0.219 57.960 58.200 -0.035 0.000 1.002 297 S CB 1.168 64.431 63.200 0.106 0.000 0.921 297 S HN 0.750 nan 8.310 nan 0.000 0.554 298 H N 1.737 120.691 119.070 -0.193 0.000 2.395 298 H HA 0.175 4.731 4.556 -0.000 0.000 0.299 298 H C 1.534 176.736 175.328 -0.210 0.000 1.070 298 H CA 1.027 56.906 56.048 -0.281 0.000 1.356 298 H CB -1.076 28.468 29.762 -0.363 0.000 1.401 298 H HN 0.993 nan 8.280 nan 0.000 0.524 299 G N 1.140 109.822 108.800 -0.197 0.000 2.629 299 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.334 299 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.334 299 G C 1.011 175.646 174.900 -0.441 0.000 0.208 299 G CA 1.003 45.915 45.100 -0.313 0.000 1.166 299 G HN 0.758 nan 8.290 nan 0.000 0.475 300 T N -1.154 113.118 114.554 -0.471 0.000 3.148 300 T HA 0.339 4.689 4.350 -0.000 0.000 0.253 300 T C 1.308 175.947 174.700 -0.102 0.000 1.134 300 T CA 0.929 62.810 62.100 -0.364 0.000 1.051 300 T CB 0.244 68.883 68.868 -0.381 0.000 0.959 300 T HN 1.730 nan 8.240 nan 0.000 0.525 301 S N 0.765 116.377 115.700 -0.146 0.000 3.807 301 S HA -0.128 4.342 4.470 -0.000 0.000 0.304 301 S C 0.186 174.800 174.600 0.023 0.000 1.152 301 S CA 0.528 58.676 58.200 -0.086 0.000 0.852 301 S CB -2.130 61.039 63.200 -0.050 0.000 0.924 301 S HN 1.245 nan 8.310 nan 0.000 0.545 302 T N -1.003 113.577 114.554 0.042 0.000 2.895 302 T HA 0.695 5.045 4.350 -0.000 0.000 0.283 302 T C -1.475 173.269 174.700 0.072 0.000 1.014 302 T CA -1.663 60.498 62.100 0.102 0.000 1.037 302 T CB 1.715 70.683 68.868 0.166 0.000 1.006 302 T HN -0.055 nan 8.240 nan 0.000 0.468 303 P HA -0.152 nan 4.420 nan 0.000 0.213 303 P C 1.702 179.042 177.300 0.067 0.000 1.176 303 P CA 0.801 63.940 63.100 0.065 0.000 0.919 303 P CB -0.067 31.672 31.700 0.065 0.000 0.791 304 V N -0.489 119.468 119.914 0.072 0.000 2.323 304 V HA -0.113 4.007 4.120 -0.000 0.000 0.244 304 V C 2.588 178.725 176.094 0.071 0.000 1.041 304 V CA 2.412 64.752 62.300 0.066 0.000 1.025 304 V CB -1.979 29.882 31.823 0.063 0.000 0.656 304 V HN 0.192 nan 8.190 nan 0.000 0.451 305 G N 0.135 108.984 108.800 0.082 0.000 2.514 305 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.217 305 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.217 305 G C 1.178 176.147 174.900 0.114 0.000 1.198 305 G CA 1.345 46.503 45.100 0.096 0.000 0.780 305 G HN 0.499 nan 8.290 nan 0.000 0.565 306 D N 0.128 120.579 120.400 0.086 0.000 2.126 306 D HA -0.168 4.472 4.640 -0.000 0.000 0.190 306 D C 2.877 179.311 176.300 0.223 0.000 1.001 306 D CA 2.062 56.129 54.000 0.112 0.000 0.841 306 D CB -0.691 40.128 40.800 0.031 0.000 0.949 306 D HN 0.376 nan 8.370 nan 0.000 0.446 307 V N -1.498 118.512 119.914 0.160 0.000 2.667 307 V HA -0.056 4.064 4.120 -0.000 0.000 0.252 307 V C 1.985 178.135 176.094 0.094 0.000 1.065 307 V CA 1.004 63.382 62.300 0.129 0.000 1.083 307 V CB -0.380 31.496 31.823 0.088 0.000 0.692 307 V HN -0.008 nan 8.190 nan 0.000 0.468 308 K N 0.868 121.316 120.400 0.081 0.000 2.026 308 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 308 K C 2.254 178.884 176.600 0.049 0.000 1.048 308 K CA 2.095 58.407 56.287 0.042 0.000 0.929 308 K CB -0.233 32.277 32.500 0.017 0.000 0.713 308 K HN 0.761 nan 8.250 nan 0.000 0.439 309 E N 1.038 121.308 120.200 0.116 0.000 2.106 309 E HA -0.133 4.216 4.350 -0.000 0.000 0.192 309 E C 2.107 178.800 176.600 0.155 0.000 0.984 309 E CA 0.553 57.058 56.400 0.175 0.000 0.806 309 E CB 0.028 29.932 29.700 0.340 0.000 0.750 309 E HN 0.189 nan 8.360 nan 0.000 0.458 310 L N 0.389 121.696 121.223 0.141 0.000 2.093 310 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 310 L C 2.686 179.589 176.870 0.054 0.000 1.085 310 L CA 0.964 55.850 54.840 0.077 0.000 0.755 310 L CB -0.472 41.605 42.059 0.031 0.000 0.904 310 L HN 0.236 nan 8.230 nan 0.000 0.435 311 A N 0.122 122.971 122.820 0.048 0.000 1.902 311 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 311 A C 2.540 180.143 177.584 0.030 0.000 1.181 311 A CA 1.671 53.725 52.037 0.029 0.000 0.623 311 A CB -0.662 18.349 19.000 0.017 0.000 0.818 311 A HN 0.391 nan 8.150 nan 0.000 0.443 312 A N -0.067 122.769 122.820 0.028 0.000 1.933 312 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 312 A C 2.107 179.735 177.584 0.073 0.000 1.175 312 A CA 1.544 53.591 52.037 0.017 0.000 0.628 312 A CB -0.616 18.369 19.000 -0.025 0.000 0.814 312 A HN 0.507 nan 8.150 nan 0.000 0.444 313 I N -0.985 119.663 120.570 0.129 0.000 2.226 313 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 313 I C 2.767 179.026 176.117 0.237 0.000 1.100 313 I CA 1.278 62.718 61.300 0.233 0.000 1.374 313 I CB -0.329 37.773 38.000 0.170 0.000 1.057 313 I HN 0.297 nan 8.210 nan 0.000 0.413 314 R N 0.366 120.938 120.500 0.120 0.000 2.081 314 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 314 R C 2.226 178.570 176.300 0.074 0.000 1.131 314 R CA 1.109 57.264 56.100 0.091 0.000 0.960 314 R CB -0.231 30.095 30.300 0.043 0.000 0.856 314 R HN 0.309 nan 8.270 nan 0.000 0.436 315 E N 0.295 120.519 120.200 0.040 0.000 2.106 315 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 315 E C 2.096 178.673 176.600 -0.038 0.000 0.984 315 E CA 0.948 57.348 56.400 -0.000 0.000 0.806 315 E CB 0.030 29.721 29.700 -0.016 0.000 0.750 315 E HN 0.131 nan 8.360 nan 0.000 0.458 316 V N 0.008 119.885 119.914 -0.061 0.000 2.323 316 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 316 V C 1.848 177.715 176.094 -0.379 0.000 1.041 316 V CA 1.528 63.668 62.300 -0.267 0.000 1.025 316 V CB -0.439 31.131 31.823 -0.422 0.000 0.656 316 V HN 0.135 nan 8.190 nan 0.000 0.451 317 F N -0.051 119.892 119.950 -0.011 0.000 2.746 317 F HA 0.490 5.017 4.527 -0.000 0.000 0.297 317 F C 1.863 177.655 175.800 -0.014 0.000 1.113 317 F CA 0.534 58.526 58.000 -0.013 0.000 1.367 317 F CB -0.610 38.381 39.000 -0.015 0.000 1.111 317 F HN 0.263 nan 8.300 nan 0.000 0.590 318 G N 1.041 109.921 108.800 0.133 0.000 2.660 318 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.321 318 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.321 318 G C 0.626 175.573 174.900 0.078 0.000 1.246 318 G CA 0.763 45.908 45.100 0.075 0.000 1.000 318 G HN 0.285 nan 8.290 nan 0.000 0.550 319 D N 1.204 121.637 120.400 0.055 0.000 2.324 319 D HA 0.105 4.745 4.640 -0.000 0.000 0.235 319 D C 1.379 177.708 176.300 0.048 0.000 1.095 319 D CA 0.399 54.423 54.000 0.040 0.000 0.871 319 D CB 0.309 41.123 40.800 0.025 0.000 0.906 319 D HN 0.275 nan 8.370 nan 0.000 0.522 320 K N 1.052 121.506 120.400 0.090 0.000 2.726 320 K HA 0.056 4.376 4.320 -0.000 0.000 0.209 320 K C -0.190 176.457 176.600 0.078 0.000 1.082 320 K CA -0.203 56.142 56.287 0.098 0.000 1.081 320 K CB 0.262 32.851 32.500 0.147 0.000 0.830 320 K HN -0.168 nan 8.250 nan 0.000 0.470 321 S N 3.265 118.977 115.700 0.020 0.000 2.515 321 S HA 0.128 4.598 4.470 -0.000 0.000 0.285 321 S C -1.947 172.528 174.600 -0.209 0.000 1.265 321 S CA -0.895 57.240 58.200 -0.108 0.000 1.079 321 S CB 0.330 63.495 63.200 -0.060 0.000 0.877 321 S HN 0.263 nan 8.310 nan 0.000 0.493 322 P HA 0.317 nan 4.420 nan 0.000 0.276 322 P C -0.735 176.443 177.300 -0.203 0.000 1.261 322 P CA -0.648 62.265 63.100 -0.312 0.000 0.800 322 P CB 0.506 31.917 31.700 -0.481 0.000 1.066 323 A N 1.043 123.805 122.820 -0.097 0.000 2.498 323 A HA 0.406 4.726 4.320 -0.000 0.000 0.239 323 A C 0.302 177.868 177.584 -0.031 0.000 1.068 323 A CA 0.112 52.144 52.037 -0.009 0.000 0.766 323 A CB -0.721 18.335 19.000 0.093 0.000 1.003 323 A HN 0.477 nan 8.150 nan 0.000 0.497 324 I N 1.155 121.720 120.570 -0.008 0.000 2.686 324 I HA 0.532 4.702 4.170 -0.000 0.000 0.295 324 I C -0.045 176.140 176.117 0.113 0.000 1.114 324 I CA -0.261 61.011 61.300 -0.048 0.000 1.038 324 I CB 2.612 40.541 38.000 -0.118 0.000 1.238 324 I HN 0.793 nan 8.210 nan 0.000 0.420 325 S N 3.619 119.427 115.700 0.181 0.000 2.537 325 S HA 0.846 5.316 4.470 -0.000 0.000 0.270 325 S C -1.142 173.578 174.600 0.200 0.000 1.142 325 S CA -0.744 57.604 58.200 0.246 0.000 0.870 325 S CB 2.070 65.442 63.200 0.286 0.000 1.112 325 S HN 0.807 nan 8.310 nan 0.000 0.466 326 A N 2.215 125.135 122.820 0.167 0.000 2.394 326 A HA 0.582 4.902 4.320 -0.000 0.000 0.333 326 A C 1.140 178.724 177.584 0.000 0.000 1.397 326 A CA -0.191 51.869 52.037 0.040 0.000 0.884 326 A CB -0.287 18.648 19.000 -0.108 0.000 1.147 326 A HN 1.378 nan 8.150 nan 0.000 0.505 327 T N -0.231 114.335 114.554 0.020 0.000 2.977 327 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 327 T C 1.385 176.049 174.700 -0.061 0.000 1.105 327 T CA 1.395 63.476 62.100 -0.032 0.000 1.116 327 T CB -0.332 68.509 68.868 -0.045 0.000 0.878 327 T HN 0.615 nan 8.240 nan 0.000 0.509 328 K N 1.100 121.459 120.400 -0.068 0.000 2.360 328 K HA 0.131 4.451 4.320 -0.000 0.000 0.201 328 K C 2.615 179.177 176.600 -0.064 0.000 1.046 328 K CA 0.887 57.127 56.287 -0.079 0.000 0.945 328 K CB -0.367 32.032 32.500 -0.168 0.000 0.750 328 K HN 0.510 nan 8.250 nan 0.000 0.464 329 A N 0.881 123.656 122.820 -0.075 0.000 2.019 329 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 329 A C 1.986 179.544 177.584 -0.043 0.000 1.164 329 A CA 1.357 53.356 52.037 -0.063 0.000 0.644 329 A CB -0.237 18.728 19.000 -0.058 0.000 0.805 329 A HN 0.198 nan 8.150 nan 0.000 0.449 330 M N -1.371 118.198 119.600 -0.052 0.000 2.429 330 M HA -0.032 4.448 4.480 -0.000 0.000 0.265 330 M C 2.317 178.594 176.300 -0.040 0.000 1.120 330 M CA 1.637 56.905 55.300 -0.053 0.000 1.173 330 M CB -0.043 32.501 32.600 -0.093 0.000 1.343 330 M HN 0.580 nan 8.290 nan 0.000 0.464 331 T N -2.222 112.305 114.554 -0.045 0.000 3.051 331 T HA 0.423 4.773 4.350 -0.000 0.000 0.255 331 T C 1.041 175.766 174.700 0.042 0.000 1.085 331 T CA 0.483 62.580 62.100 -0.005 0.000 1.109 331 T CB -0.046 68.833 68.868 0.018 0.000 0.921 331 T HN 0.549 nan 8.240 nan 0.000 0.488 332 G N 1.011 109.842 108.800 0.051 0.000 2.757 332 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.638 332 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.638 332 G C -0.931 174.045 174.900 0.126 0.000 1.344 332 G CA -0.349 44.817 45.100 0.110 0.000 0.855 332 G HN 0.809 nan 8.290 nan 0.000 0.537 333 H N 0.753 119.847 119.070 0.040 0.000 2.685 333 H HA 0.598 5.154 4.556 -0.000 0.000 0.286 333 H C 1.667 176.959 175.328 -0.061 0.000 1.102 333 H CA -0.028 55.970 56.048 -0.084 0.000 1.254 333 H CB 0.627 30.199 29.762 -0.317 0.000 1.397 333 H HN 0.827 nan 8.280 nan 0.000 0.473 334 S N 4.671 120.507 115.700 0.226 0.000 2.660 334 S HA 0.077 4.547 4.470 -0.000 0.000 0.223 334 S C 1.381 175.997 174.600 0.028 0.000 0.963 334 S CA 0.161 58.409 58.200 0.079 0.000 0.932 334 S CB -0.508 62.722 63.200 0.051 0.000 0.775 334 S HN 0.727 nan 8.310 nan 0.000 0.531 335 L N -0.137 121.057 121.223 -0.048 0.000 5.323 335 L HA -0.352 3.988 4.340 -0.000 0.000 0.053 335 L C 2.267 179.182 176.870 0.074 0.000 3.097 335 L CA 1.422 56.169 54.840 -0.155 0.000 1.447 335 L CB -2.104 39.826 42.059 -0.214 0.000 2.992 335 L HN 0.417 nan 8.230 nan 0.000 0.968 336 G N -1.014 107.822 108.800 0.061 0.000 2.450 336 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.220 336 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.220 336 G C 1.266 176.205 174.900 0.064 0.000 1.130 336 G CA 1.466 46.615 45.100 0.082 0.000 0.760 336 G HN 0.872 nan 8.290 nan 0.000 0.557 337 A N 0.285 123.137 122.820 0.053 0.000 2.218 337 A HA 0.650 4.970 4.320 -0.000 0.000 0.209 337 A C 2.537 180.116 177.584 -0.008 0.000 1.168 337 A CA 1.280 53.331 52.037 0.022 0.000 0.804 337 A CB -0.205 18.808 19.000 0.022 0.000 0.834 337 A HN 0.556 nan 8.150 nan 0.000 0.482 338 A N 0.089 122.928 122.820 0.032 0.000 1.902 338 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 338 A C 2.313 179.856 177.584 -0.068 0.000 1.181 338 A CA 1.842 53.883 52.037 0.007 0.000 0.623 338 A CB -1.228 17.820 19.000 0.081 0.000 0.818 338 A HN 0.639 nan 8.150 nan 0.000 0.443 339 G N -0.740 108.028 108.800 -0.053 0.000 2.480 339 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 339 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 339 G C 1.665 176.485 174.900 -0.133 0.000 1.200 339 G CA 1.374 46.417 45.100 -0.096 0.000 0.782 339 G HN 0.597 nan 8.290 nan 0.000 0.554 340 V N 0.341 120.181 119.914 -0.123 0.000 2.427 340 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 340 V C 2.779 178.725 176.094 -0.247 0.000 1.051 340 V CA 2.590 64.798 62.300 -0.153 0.000 1.048 340 V CB -0.320 31.437 31.823 -0.109 0.000 0.666 340 V HN 0.542 nan 8.190 nan 0.000 0.456 341 Q N -0.495 119.129 119.800 -0.293 0.000 2.124 341 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 341 Q C 2.136 177.520 176.000 -1.027 0.000 0.977 341 Q CA 2.071 57.540 55.803 -0.557 0.000 0.850 341 Q CB -0.136 28.349 28.738 -0.422 0.000 0.901 341 Q HN 0.713 nan 8.270 nan 0.000 0.429 342 E N 0.315 120.152 120.200 -0.605 0.000 2.216 342 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 342 E C 1.837 178.301 176.600 -0.227 0.000 0.988 342 E CA 0.614 56.782 56.400 -0.387 0.000 0.834 342 E CB 0.039 29.684 29.700 -0.092 0.000 0.772 342 E HN 0.330 nan 8.360 nan 0.000 0.479 343 A N 0.851 123.531 122.820 -0.232 0.000 1.930 343 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 343 A C 2.092 179.574 177.584 -0.169 0.000 1.175 343 A CA 0.852 52.796 52.037 -0.154 0.000 0.627 343 A CB -0.371 18.539 19.000 -0.150 0.000 0.815 343 A HN 0.140 nan 8.150 nan 0.000 0.443 344 I N -1.429 118.980 120.570 -0.268 0.000 2.252 344 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 344 I C 2.253 178.318 176.117 -0.086 0.000 1.102 344 I CA 1.090 62.251 61.300 -0.231 0.000 1.385 344 I CB -0.362 37.477 38.000 -0.268 0.000 1.064 344 I HN 0.372 nan 8.210 nan 0.000 0.414 345 Y N 0.623 120.900 120.300 -0.037 0.000 2.181 345 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 345 Y C 2.928 178.803 175.900 -0.041 0.000 1.146 345 Y CA 0.811 58.900 58.100 -0.019 0.000 1.164 345 Y CB -1.402 37.056 38.460 -0.003 0.000 0.982 345 Y HN 0.088 nan 8.280 nan 0.000 0.515 346 S N 0.097 115.873 115.700 0.126 0.000 2.368 346 S HA -0.143 4.326 4.470 -0.000 0.000 0.225 346 S C 2.144 176.757 174.600 0.022 0.000 1.030 346 S CA 1.182 59.441 58.200 0.098 0.000 0.999 346 S CB -0.611 62.648 63.200 0.099 0.000 0.844 346 S HN 0.358 nan 8.310 nan 0.000 0.459 347 L N 0.834 122.050 121.223 -0.011 0.000 2.141 347 L HA -0.022 4.318 4.340 -0.000 0.000 0.209 347 L C 2.100 178.995 176.870 0.042 0.000 1.094 347 L CA 0.761 55.587 54.840 -0.023 0.000 0.763 347 L CB -0.453 41.514 42.059 -0.154 0.000 0.908 347 L HN 0.290 nan 8.230 nan 0.000 0.437 348 L N -1.149 120.119 121.223 0.076 0.000 2.072 348 L HA -0.185 4.155 4.340 -0.000 0.000 0.205 348 L C 2.619 179.616 176.870 0.211 0.000 1.079 348 L CA 1.162 56.152 54.840 0.250 0.000 0.752 348 L CB -0.325 41.903 42.059 0.281 0.000 0.906 348 L HN 0.284 nan 8.230 nan 0.000 0.436 349 M N -0.688 118.831 119.600 -0.136 0.000 2.117 349 M HA -0.235 4.245 4.480 -0.000 0.000 0.262 349 M C 2.307 178.474 176.300 -0.222 0.000 1.065 349 M CA 1.664 56.618 55.300 -0.577 0.000 1.114 349 M CB -0.314 31.809 32.600 -0.795 0.000 1.361 349 M HN 0.227 nan 8.290 nan 0.000 0.408 350 L N 0.398 121.572 121.223 -0.082 0.000 2.109 350 L HA -0.135 4.204 4.340 -0.000 0.000 0.207 350 L C 2.203 179.085 176.870 0.021 0.000 1.086 350 L CA 1.910 56.740 54.840 -0.015 0.000 0.760 350 L CB -0.510 41.560 42.059 0.019 0.000 0.910 350 L HN 0.190 nan 8.230 nan 0.000 0.437 351 E N -1.148 119.085 120.200 0.054 0.000 2.072 351 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 351 E C 1.872 178.361 176.600 -0.186 0.000 0.985 351 E CA 1.550 57.938 56.400 -0.020 0.000 0.801 351 E CB -0.150 29.586 29.700 0.060 0.000 0.750 351 E HN 0.624 nan 8.360 nan 0.000 0.452 352 H N -1.120 118.062 119.070 0.187 0.000 2.551 352 H HA 0.267 4.823 4.556 -0.000 0.000 0.271 352 H C 0.547 176.017 175.328 0.237 0.000 0.984 352 H CA 0.625 56.810 56.048 0.228 0.000 1.164 352 H CB 0.529 30.487 29.762 0.327 0.000 1.437 352 H HN 0.286 nan 8.280 nan 0.000 0.550 353 G N 1.931 110.856 108.800 0.207 0.000 2.370 353 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.295 353 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.295 353 G C -0.266 174.767 174.900 0.222 0.000 1.045 353 G CA 0.670 45.853 45.100 0.138 0.000 1.199 353 G HN 0.511 nan 8.290 nan 0.000 0.513 354 F N -1.608 118.328 119.950 -0.024 0.000 2.693 354 F HA 0.806 5.333 4.527 -0.000 0.000 0.309 354 F C -0.963 174.741 175.800 -0.159 0.000 1.129 354 F CA -2.265 55.697 58.000 -0.063 0.000 0.948 354 F CB 1.146 40.123 39.000 -0.038 0.000 1.315 354 F HN 0.077 nan 8.300 nan 0.000 0.447 355 I N 2.906 123.362 120.570 -0.189 0.000 2.382 355 I HA 0.613 4.783 4.170 -0.000 0.000 0.286 355 I C 0.152 176.179 176.117 -0.151 0.000 1.002 355 I CA -1.057 59.964 61.300 -0.466 0.000 1.135 355 I CB 1.604 39.420 38.000 -0.306 0.000 1.288 355 I HN 0.976 nan 8.210 nan 0.000 0.448 356 A N 9.319 131.984 122.820 -0.257 0.000 2.445 356 A HA 0.470 4.790 4.320 -0.000 0.000 0.242 356 A C -2.324 175.272 177.584 0.020 0.000 1.075 356 A CA -0.946 51.126 52.037 0.058 0.000 0.777 356 A CB -0.309 18.709 19.000 0.029 0.000 1.013 356 A HN 0.445 nan 8.150 nan 0.000 0.493 357 P HA 0.135 nan 4.420 nan 0.000 0.277 357 P C -0.390 176.940 177.300 0.050 0.000 1.240 357 P CA -0.255 62.873 63.100 0.047 0.000 0.798 357 P CB 1.307 33.028 31.700 0.035 0.000 0.979 358 S N 2.940 118.685 115.700 0.074 0.000 2.592 358 S HA 0.320 4.790 4.470 -0.000 0.000 0.305 358 S C 0.744 175.381 174.600 0.061 0.000 1.118 358 S CA -0.853 57.400 58.200 0.089 0.000 1.075 358 S CB -1.570 61.732 63.200 0.169 0.000 1.107 358 S HN 0.352 nan 8.310 nan 0.000 0.503 359 I N 1.646 122.232 120.570 0.026 0.000 3.269 359 I HA 0.383 4.553 4.170 -0.000 0.000 0.287 359 I C 0.523 176.642 176.117 0.004 0.000 1.152 359 I CA -0.399 60.908 61.300 0.012 0.000 1.263 359 I CB 0.204 38.201 38.000 -0.005 0.000 1.439 359 I HN 0.488 nan 8.210 nan 0.000 0.637 360 N N 0.845 119.543 118.700 -0.003 0.000 2.741 360 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 360 N C -0.517 174.995 175.510 0.003 0.000 1.112 360 N CA 1.005 54.045 53.050 -0.017 0.000 0.750 360 N CB -1.455 36.997 38.487 -0.059 0.000 1.119 360 N HN 0.603 nan 8.380 nan 0.000 0.561 361 I N 1.325 121.915 120.570 0.034 0.000 2.256 361 I HA 0.041 4.210 4.170 -0.000 0.000 0.294 361 I C 1.356 177.507 176.117 0.056 0.000 1.127 361 I CA 0.004 61.340 61.300 0.060 0.000 1.247 361 I CB 0.320 38.372 38.000 0.087 0.000 1.460 361 I HN 0.033 nan 8.210 nan 0.000 0.511 362 E N 3.689 123.927 120.200 0.062 0.000 2.318 362 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 362 E C 0.427 177.076 176.600 0.081 0.000 0.998 362 E CA 0.513 56.951 56.400 0.063 0.000 0.859 362 E CB 0.518 30.254 29.700 0.060 0.000 0.812 362 E HN 0.506 nan 8.360 nan 0.000 0.492 363 E N 1.215 121.479 120.200 0.107 0.000 2.432 363 E HA 0.128 4.478 4.350 -0.000 0.000 0.272 363 E C -1.476 175.177 176.600 0.088 0.000 0.937 363 E CA -0.521 55.943 56.400 0.107 0.000 0.812 363 E CB 0.979 30.779 29.700 0.168 0.000 1.377 363 E HN -0.062 nan 8.360 nan 0.000 0.399 364 L N 4.063 125.326 121.223 0.067 0.000 2.559 364 L HA 0.065 4.405 4.340 -0.000 0.000 0.274 364 L C 0.256 177.155 176.870 0.048 0.000 1.205 364 L CA 0.655 55.532 54.840 0.060 0.000 0.907 364 L CB 0.505 42.584 42.059 0.034 0.000 1.153 364 L HN 0.546 nan 8.230 nan 0.000 0.490 365 D N 3.569 124.006 120.400 0.061 0.000 2.472 365 D HA -0.094 4.546 4.640 -0.000 0.000 0.237 365 D C 0.952 177.265 176.300 0.022 0.000 1.141 365 D CA 0.505 54.530 54.000 0.041 0.000 0.875 365 D CB 0.901 41.745 40.800 0.074 0.000 1.192 365 D HN 0.810 nan 8.370 nan 0.000 0.450 366 E N 1.947 122.155 120.200 0.013 0.000 2.265 366 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 366 E C 1.082 177.685 176.600 0.004 0.000 0.996 366 E CA 0.877 57.281 56.400 0.007 0.000 0.832 366 E CB -0.137 29.567 29.700 0.006 0.000 0.756 366 E HN 0.545 nan 8.360 nan 0.000 0.491 367 Q N -0.062 119.744 119.800 0.010 0.000 2.444 367 Q HA 0.153 4.493 4.340 -0.000 0.000 0.206 367 Q C 1.305 177.299 176.000 -0.010 0.000 0.948 367 Q CA 0.541 56.349 55.803 0.007 0.000 0.946 367 Q CB 0.496 29.247 28.738 0.021 0.000 1.027 367 Q HN 0.425 nan 8.270 nan 0.000 0.513 368 A N 0.254 123.059 122.820 -0.026 0.000 2.390 368 A HA 0.443 4.762 4.320 -0.000 0.000 0.232 368 A C 0.845 178.386 177.584 -0.071 0.000 1.233 368 A CA -0.107 51.880 52.037 -0.082 0.000 0.907 368 A CB 0.312 19.233 19.000 -0.131 0.000 0.967 368 A HN 0.252 nan 8.150 nan 0.000 0.512 369 A N -0.723 122.075 122.820 -0.037 0.000 2.511 369 A HA 0.445 4.765 4.320 -0.000 0.000 0.242 369 A C 1.628 179.193 177.584 -0.031 0.000 1.069 369 A CA 0.766 52.786 52.037 -0.028 0.000 0.763 369 A CB -0.494 18.498 19.000 -0.013 0.000 1.001 369 A HN 1.925 nan 8.150 nan 0.000 0.498 370 G N 0.920 109.701 108.800 -0.030 0.000 2.241 370 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 370 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 370 G C 0.192 175.069 174.900 -0.039 0.000 0.998 370 G CA 0.328 45.412 45.100 -0.027 0.000 0.621 370 G HN 0.796 nan 8.290 nan 0.000 0.519 371 L N 0.289 121.475 121.223 -0.062 0.000 2.439 371 L HA 0.506 4.846 4.340 -0.000 0.000 0.259 371 L C 0.735 177.557 176.870 -0.081 0.000 1.129 371 L CA -0.777 54.013 54.840 -0.083 0.000 0.803 371 L CB 0.802 42.783 42.059 -0.130 0.000 1.161 371 L HN 0.124 nan 8.230 nan 0.000 0.462 372 N N 1.746 120.395 118.700 -0.084 0.000 3.301 372 N HA 0.271 5.011 4.740 -0.000 0.000 0.289 372 N C -0.768 174.704 175.510 -0.062 0.000 1.343 372 N CA -0.160 52.853 53.050 -0.061 0.000 1.136 372 N CB -0.218 38.239 38.487 -0.050 0.000 1.402 372 N HN 0.407 nan 8.380 nan 0.000 0.516 373 I N 1.855 122.379 120.570 -0.078 0.000 2.363 373 I HA 0.107 4.277 4.170 -0.000 0.000 0.292 373 I C 0.033 176.150 176.117 0.000 0.000 1.075 373 I CA -0.777 60.484 61.300 -0.065 0.000 1.333 373 I CB 0.912 38.829 38.000 -0.138 0.000 1.415 373 I HN -0.020 nan 8.210 nan 0.000 0.502 374 V N 6.064 126.001 119.914 0.040 0.000 2.439 374 V HA 0.026 4.146 4.120 -0.000 0.000 0.271 374 V C 1.299 177.427 176.094 0.056 0.000 1.040 374 V CA 0.117 62.445 62.300 0.048 0.000 1.002 374 V CB 0.753 32.613 31.823 0.061 0.000 1.000 374 V HN 0.905 nan 8.190 nan 0.000 0.477 375 T N 0.483 115.062 114.554 0.042 0.000 3.054 375 T HA 0.247 4.597 4.350 -0.000 0.000 0.255 375 T C 0.237 174.956 174.700 0.032 0.000 1.035 375 T CA -0.162 61.964 62.100 0.042 0.000 0.941 375 T CB -0.113 68.778 68.868 0.038 0.000 1.026 375 T HN 0.826 nan 8.240 nan 0.000 0.533 376 E N 0.470 120.688 120.200 0.030 0.000 2.343 376 E HA 0.338 4.688 4.350 -0.000 0.000 0.278 376 E C -1.476 175.144 176.600 0.033 0.000 0.910 376 E CA -0.989 55.426 56.400 0.025 0.000 0.757 376 E CB 1.066 30.776 29.700 0.017 0.000 1.218 376 E HN -0.078 nan 8.360 nan 0.000 0.435 377 T N 2.673 117.248 114.554 0.035 0.000 2.800 377 T HA 0.076 4.426 4.350 -0.000 0.000 0.283 377 T C -0.388 174.346 174.700 0.058 0.000 0.999 377 T CA 0.630 62.768 62.100 0.064 0.000 1.176 377 T CB 0.048 68.930 68.868 0.024 0.000 0.973 377 T HN 0.436 nan 8.240 nan 0.000 0.519 378 T N 4.285 118.890 114.554 0.084 0.000 2.840 378 T HA 0.250 4.600 4.350 -0.000 0.000 0.287 378 T C -0.395 174.360 174.700 0.092 0.000 0.991 378 T CA -0.950 61.186 62.100 0.060 0.000 0.964 378 T CB 1.221 70.109 68.868 0.033 0.000 0.954 378 T HN 0.449 nan 8.240 nan 0.000 0.438 379 D N 2.569 123.016 120.400 0.078 0.000 2.345 379 D HA 0.502 5.142 4.640 -0.000 0.000 0.247 379 D C 0.375 176.712 176.300 0.063 0.000 1.108 379 D CA 0.102 54.160 54.000 0.097 0.000 0.894 379 D CB 1.134 41.972 40.800 0.064 0.000 1.203 379 D HN 0.415 nan 8.370 nan 0.000 0.430 380 R N 0.680 121.217 120.500 0.063 0.000 2.728 380 R HA 0.061 4.401 4.340 -0.000 0.000 0.259 380 R C -1.383 174.934 176.300 0.028 0.000 1.057 380 R CA -0.530 55.589 56.100 0.032 0.000 0.908 380 R CB 1.044 31.353 30.300 0.014 0.000 1.259 380 R HN 0.237 nan 8.270 nan 0.000 0.472 381 E N 4.125 124.339 120.200 0.023 0.000 2.029 381 E HA 0.163 4.513 4.350 -0.000 0.000 0.276 381 E C -0.396 176.211 176.600 0.012 0.000 1.163 381 E CA -0.009 56.403 56.400 0.019 0.000 0.909 381 E CB 0.494 30.205 29.700 0.018 0.000 1.046 381 E HN 0.268 nan 8.360 nan 0.000 0.406 382 L N 2.018 123.245 121.223 0.005 0.000 2.379 382 L HA 0.305 4.644 4.340 -0.000 0.000 0.269 382 L C 1.058 177.937 176.870 0.014 0.000 1.084 382 L CA -0.236 54.609 54.840 0.007 0.000 0.802 382 L CB 1.375 43.427 42.059 -0.011 0.000 1.175 382 L HN 0.487 nan 8.230 nan 0.000 0.448 383 T N -1.599 112.968 114.554 0.021 0.000 3.105 383 T HA 0.089 4.439 4.350 -0.000 0.000 0.257 383 T C 0.202 174.918 174.700 0.026 0.000 0.949 383 T CA 0.228 62.340 62.100 0.020 0.000 0.959 383 T CB 0.747 69.625 68.868 0.018 0.000 1.205 383 T HN 0.602 nan 8.240 nan 0.000 0.496 384 T N 2.898 117.473 114.554 0.034 0.000 2.879 384 T HA 0.694 5.044 4.350 -0.000 0.000 0.290 384 T C -0.775 173.954 174.700 0.049 0.000 0.993 384 T CA -0.683 61.441 62.100 0.040 0.000 0.975 384 T CB 2.073 70.966 68.868 0.042 0.000 0.981 384 T HN 0.232 nan 8.240 nan 0.000 0.439 385 V N 0.944 120.888 119.914 0.050 0.000 3.001 385 V HA 0.864 4.984 4.120 -0.000 0.000 0.314 385 V C -0.717 175.386 176.094 0.015 0.000 1.099 385 V CA -1.250 61.080 62.300 0.050 0.000 0.989 385 V CB 2.240 34.135 31.823 0.119 0.000 1.040 385 V HN 0.969 nan 8.190 nan 0.000 0.434 386 M N 2.756 122.329 119.600 -0.044 0.000 2.464 386 M HA 0.755 5.234 4.480 -0.000 0.000 0.308 386 M C -1.024 175.214 176.300 -0.103 0.000 1.127 386 M CA -0.306 54.972 55.300 -0.037 0.000 0.913 386 M CB 2.196 34.805 32.600 0.015 0.000 1.689 386 M HN 1.024 nan 8.290 nan 0.000 0.445 387 S N 3.477 119.132 115.700 -0.076 0.000 2.733 387 S HA 0.555 5.025 4.470 -0.000 0.000 0.294 387 S C -1.483 173.030 174.600 -0.146 0.000 1.149 387 S CA -0.785 57.348 58.200 -0.112 0.000 1.034 387 S CB 0.895 64.045 63.200 -0.085 0.000 1.015 387 S HN 0.844 nan 8.310 nan 0.000 0.486 388 N N 2.256 120.820 118.700 -0.227 0.000 2.473 388 N HA 0.546 5.286 4.740 -0.000 0.000 0.291 388 N C -1.204 173.933 175.510 -0.622 0.000 1.083 388 N CA -0.342 52.424 53.050 -0.474 0.000 0.951 388 N CB 1.779 39.891 38.487 -0.626 0.000 1.164 388 N HN 0.516 nan 8.380 nan 0.000 0.480 389 S N 1.574 116.788 115.700 -0.811 0.000 2.776 389 S HA 0.497 4.967 4.470 -0.000 0.000 0.284 389 S C -1.330 172.847 174.600 -0.705 0.000 1.160 389 S CA -0.618 57.225 58.200 -0.595 0.000 1.051 389 S CB 0.218 63.247 63.200 -0.285 0.000 1.037 389 S HN 0.280 nan 8.310 nan 0.000 0.485 390 F N 1.659 121.202 119.950 -0.678 0.000 2.445 390 F HA 0.688 5.215 4.527 -0.000 0.000 0.348 390 F C 0.806 176.296 175.800 -0.517 0.000 1.125 390 F CA -0.998 56.656 58.000 -0.577 0.000 0.983 390 F CB 1.287 39.934 39.000 -0.588 0.000 1.198 390 F HN 0.621 nan 8.300 nan 0.000 0.436 391 G N 1.455 110.257 108.800 0.004 0.000 2.491 391 G HA2 0.567 4.527 3.960 -0.000 0.000 0.327 391 G HA3 0.567 4.527 3.960 -0.000 0.000 0.327 391 G C -0.915 174.043 174.900 0.098 0.000 1.189 391 G CA -0.652 44.514 45.100 0.110 0.000 0.956 391 G HN 0.249 nan 8.290 nan 0.000 0.491 392 F N -0.071 119.977 119.950 0.164 0.000 2.553 392 F HA 0.377 4.904 4.527 -0.000 0.000 0.356 392 F C 1.601 177.468 175.800 0.112 0.000 1.142 392 F CA 1.526 59.617 58.000 0.150 0.000 1.322 392 F CB 0.904 40.013 39.000 0.182 0.000 1.126 392 F HN 0.842 nan 8.300 nan 0.000 0.599 393 G N 0.487 109.434 108.800 0.246 0.000 2.159 393 G HA2 0.076 4.036 3.960 -0.000 0.000 0.227 393 G HA3 0.076 4.036 3.960 -0.000 0.000 0.227 393 G C 0.809 175.766 174.900 0.095 0.000 0.986 393 G CA 0.039 45.232 45.100 0.155 0.000 0.651 393 G HN 1.861 nan 8.290 nan 0.000 0.523 394 G N -1.039 107.802 108.800 0.069 0.000 2.246 394 G HA2 0.096 4.056 3.960 -0.000 0.000 0.273 394 G HA3 0.096 4.056 3.960 -0.000 0.000 0.273 394 G C 0.339 175.264 174.900 0.042 0.000 1.055 394 G CA 1.376 46.489 45.100 0.023 0.000 0.851 394 G HN 2.005 nan 8.290 nan 0.000 0.500 395 T N 0.400 115.009 114.554 0.093 0.000 2.758 395 T HA 0.573 4.923 4.350 -0.000 0.000 0.285 395 T C -0.001 174.827 174.700 0.214 0.000 0.981 395 T CA -0.628 61.566 62.100 0.156 0.000 0.965 395 T CB 0.309 69.297 68.868 0.201 0.000 0.927 395 T HN 0.318 nan 8.240 nan 0.000 0.448 396 N N 3.085 121.924 118.700 0.232 0.000 2.314 396 N HA 0.728 5.468 4.740 -0.000 0.000 0.304 396 N C -1.207 174.436 175.510 0.223 0.000 1.073 396 N CA -0.647 52.582 53.050 0.299 0.000 0.822 396 N CB 2.109 40.721 38.487 0.208 0.000 1.280 396 N HN 0.751 nan 8.380 nan 0.000 0.489 397 A N 0.732 123.596 122.820 0.072 0.000 2.455 397 A HA 0.732 5.052 4.320 -0.000 0.000 0.300 397 A C -0.856 176.701 177.584 -0.046 0.000 1.040 397 A CA -0.499 51.486 52.037 -0.087 0.000 0.697 397 A CB 1.383 20.078 19.000 -0.508 0.000 1.265 397 A HN 0.454 nan 8.150 nan 0.000 0.407 398 T N 2.240 116.819 114.554 0.041 0.000 2.916 398 T HA 0.629 4.979 4.350 -0.000 0.000 0.298 398 T C -0.910 173.850 174.700 0.101 0.000 1.031 398 T CA -0.260 61.861 62.100 0.035 0.000 0.993 398 T CB 0.966 69.880 68.868 0.077 0.000 1.045 398 T HN 0.511 nan 8.240 nan 0.000 0.454 399 L N 2.542 123.796 121.223 0.051 0.000 2.365 399 L HA 0.800 5.140 4.340 -0.000 0.000 0.273 399 L C -0.866 176.029 176.870 0.041 0.000 1.000 399 L CA -1.150 53.730 54.840 0.066 0.000 0.819 399 L CB 2.120 44.183 42.059 0.005 0.000 1.284 399 L HN 0.323 nan 8.230 nan 0.000 0.418 400 V N 3.690 123.638 119.914 0.057 0.000 2.487 400 V HA 0.534 4.654 4.120 -0.000 0.000 0.298 400 V C -0.173 175.942 176.094 0.036 0.000 1.028 400 V CA -0.346 61.984 62.300 0.049 0.000 0.860 400 V CB 1.854 33.716 31.823 0.066 0.000 0.991 400 V HN 0.713 nan 8.190 nan 0.000 0.427 401 M N 4.936 124.552 119.600 0.027 0.000 2.465 401 M HA 0.680 5.160 4.480 -0.000 0.000 0.316 401 M C -0.566 175.750 176.300 0.026 0.000 1.121 401 M CA -0.470 54.841 55.300 0.020 0.000 0.934 401 M CB 2.674 35.279 32.600 0.009 0.000 1.692 401 M HN 0.566 nan 8.290 nan 0.000 0.444 402 R N 1.404 121.917 120.500 0.021 0.000 2.673 402 R HA 0.453 4.793 4.340 -0.000 0.000 0.281 402 R C -1.201 175.106 176.300 0.012 0.000 0.991 402 R CA -0.777 55.335 56.100 0.020 0.000 0.896 402 R CB 2.019 32.331 30.300 0.021 0.000 1.201 402 R HN 0.653 nan 8.270 nan 0.000 0.457 403 K N 2.549 122.955 120.400 0.011 0.000 2.436 403 K HA 0.082 4.402 4.320 -0.000 0.000 0.275 403 K C -0.427 176.168 176.600 -0.008 0.000 0.999 403 K CA -0.081 56.206 56.287 0.000 0.000 0.980 403 K CB 0.467 32.969 32.500 0.002 0.000 0.919 403 K HN 0.255 nan 8.250 nan 0.000 0.484 404 L N 3.087 124.297 121.223 -0.022 0.000 2.379 404 L HA 0.188 4.528 4.340 -0.000 0.000 0.269 404 L C -0.358 176.500 176.870 -0.020 0.000 1.084 404 L CA -0.393 54.434 54.840 -0.023 0.000 0.802 404 L CB 0.820 42.858 42.059 -0.035 0.000 1.175 404 L HN 0.405 nan 8.230 nan 0.000 0.448 405 K N 1.994 122.385 120.400 -0.014 0.000 2.451 405 K HA 0.184 4.504 4.320 -0.000 0.000 0.280 405 K C 0.093 176.684 176.600 -0.014 0.000 1.020 405 K CA -0.113 56.167 56.287 -0.011 0.000 1.008 405 K CB -0.172 32.323 32.500 -0.008 0.000 0.917 405 K HN 0.609 nan 8.250 nan 0.000 0.478 406 D N 0.000 120.393 120.400 -0.012 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 406 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683