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 1wuu_1_C DATA FIRST_RESID 1 DATA SEQUENCE HAALRQPQVA ELLAEARRAF REEFGAEPEL AVSAPGRVNL IGEHTDYNQG DATA SEQUENCE LVLPXALELX TVLVGSPRKD GLVSLLTTSE GADEPQRLQF PLPTAQRSLE DATA SEQUENCE PGTPRWANYV KGVIQYYPAA PLPGFSAVVV SSVPLGGGLS SSASLEVATY DATA SEQUENCE TFLQQLCPDS GTIAARAQVC QQAEHSFAGX PCGIXDQFIS LXGQKGHALL DATA SEQUENCE IDCRSLETSL VPLSDPKLAV LITNSNVRHX XASSEYPVRR RQCEEVARAL DATA SEQUENCE GKESLREVQL EELEAARDLV SKEGFRRARH VVGEIRRTAQ AAAALRRGDY DATA SEQUENCE RAFGRLXVES HRSLRDDYEV SCPELDQLVE AALAVPGVYG SRXTGGGFGG DATA SEQUENCE CTVTLLEASA APHAXRHIQE HYGGTATFYL SQAADGAKVL CL 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.332 175.328 0.007 0.000 0.993 1 H CA 0.000 56.097 56.048 0.082 0.000 1.023 1 H CB 0.000 29.947 29.762 0.308 0.000 1.292 2 A N 0.725 123.547 122.820 0.004 0.000 2.312 2 A HA 0.936 5.256 4.320 0.000 0.000 0.310 2 A C -0.714 176.944 177.584 0.123 0.000 1.139 2 A CA -0.023 52.016 52.037 0.002 0.000 0.886 2 A CB 0.889 19.854 19.000 -0.057 0.000 1.350 2 A HN 0.797 nan 8.150 nan 0.000 0.479 3 A N -0.234 122.625 122.820 0.065 0.000 2.320 3 A HA 0.660 4.980 4.320 0.000 0.000 0.334 3 A C -0.170 177.418 177.584 0.006 0.000 1.147 3 A CA -0.618 51.475 52.037 0.095 0.000 0.820 3 A CB 0.413 19.450 19.000 0.062 0.000 1.218 3 A HN 0.774 nan 8.150 nan 0.000 0.482 4 L N 0.965 122.124 121.223 -0.106 0.000 2.483 4 L HA 0.330 4.670 4.340 0.000 0.000 0.276 4 L C 1.322 178.171 176.870 -0.035 0.000 1.213 4 L CA -0.069 54.690 54.840 -0.136 0.000 0.843 4 L CB -0.073 41.790 42.059 -0.327 0.000 1.107 4 L HN 1.000 nan 8.230 nan 0.000 0.487 5 R N 2.701 123.201 120.500 -0.000 0.000 2.297 5 R HA 0.383 4.723 4.340 0.000 0.000 0.308 5 R C -0.258 176.080 176.300 0.063 0.000 1.029 5 R CA -0.600 55.520 56.100 0.032 0.000 0.929 5 R CB 0.045 30.356 30.300 0.020 0.000 1.046 5 R HN 0.680 nan 8.270 nan 0.000 0.461 6 Q N 3.697 123.549 119.800 0.086 0.000 2.349 6 Q HA 0.272 4.612 4.340 0.000 0.000 0.254 6 Q C -2.088 173.948 176.000 0.060 0.000 0.980 6 Q CA -1.706 54.157 55.803 0.099 0.000 0.924 6 Q CB 1.494 30.304 28.738 0.119 0.000 1.209 6 Q HN 0.553 nan 8.270 nan 0.000 0.445 7 P HA -0.123 nan 4.420 nan 0.000 0.258 7 P C -0.719 176.598 177.300 0.029 0.000 1.187 7 P CA 0.158 63.279 63.100 0.035 0.000 0.767 7 P CB 0.553 32.272 31.700 0.032 0.000 0.770 8 Q N 1.309 121.123 119.800 0.024 0.000 2.421 8 Q HA 0.048 4.388 4.340 0.000 0.000 0.255 8 Q C 1.583 177.592 176.000 0.016 0.000 1.013 8 Q CA -0.415 55.400 55.803 0.019 0.000 0.895 8 Q CB 0.460 29.208 28.738 0.017 0.000 1.271 8 Q HN 0.165 nan 8.270 nan 0.000 0.460 9 V N 1.692 121.614 119.914 0.013 0.000 2.257 9 V HA -0.431 3.689 4.120 0.000 0.000 0.257 9 V C 1.909 178.009 176.094 0.010 0.000 1.077 9 V CA 2.342 64.648 62.300 0.009 0.000 1.063 9 V CB -1.547 30.281 31.823 0.008 0.000 0.664 9 V HN 1.009 nan 8.190 nan 0.000 0.450 10 A N 0.667 123.494 122.820 0.011 0.000 1.877 10 A HA -0.380 3.940 4.320 0.000 0.000 0.218 10 A C 2.144 179.736 177.584 0.013 0.000 1.301 10 A CA 2.838 54.882 52.037 0.012 0.000 0.699 10 A CB -1.005 18.003 19.000 0.012 0.000 0.844 10 A HN 0.745 nan 8.150 nan 0.000 0.464 11 E N -0.112 120.097 120.200 0.015 0.000 2.114 11 E HA -0.241 4.109 4.350 0.000 0.000 0.199 11 E C 2.003 178.612 176.600 0.016 0.000 1.008 11 E CA 1.430 57.840 56.400 0.016 0.000 0.810 11 E CB -0.546 29.164 29.700 0.017 0.000 0.739 11 E HN 0.642 nan 8.360 nan 0.000 0.456 12 L N 0.276 121.507 121.223 0.014 0.000 2.131 12 L HA -0.169 4.171 4.340 0.000 0.000 0.210 12 L C 2.491 179.367 176.870 0.010 0.000 1.092 12 L CA 0.333 55.179 54.840 0.011 0.000 0.759 12 L CB -0.228 41.835 42.059 0.007 0.000 0.903 12 L HN 0.171 nan 8.230 nan 0.000 0.435 13 L N -0.145 121.084 121.223 0.011 0.000 2.005 13 L HA -0.107 4.233 4.340 0.000 0.000 0.207 13 L C 2.703 179.585 176.870 0.020 0.000 1.072 13 L CA 2.037 56.883 54.840 0.010 0.000 0.744 13 L CB -1.074 40.990 42.059 0.009 0.000 0.895 13 L HN 0.154 nan 8.230 nan 0.000 0.433 14 A N -0.494 122.340 122.820 0.023 0.000 1.852 14 A HA -0.336 3.984 4.320 0.000 0.000 0.217 14 A C 2.081 179.689 177.584 0.040 0.000 1.215 14 A CA 2.304 54.360 52.037 0.031 0.000 0.641 14 A CB -1.014 18.002 19.000 0.027 0.000 0.838 14 A HN 0.580 nan 8.150 nan 0.000 0.450 15 E N -0.700 119.519 120.200 0.033 0.000 2.095 15 E HA -0.301 4.049 4.350 0.000 0.000 0.212 15 E C 2.298 178.930 176.600 0.054 0.000 1.044 15 E CA 1.537 57.959 56.400 0.037 0.000 0.857 15 E CB -0.440 29.275 29.700 0.025 0.000 0.764 15 E HN 0.658 nan 8.360 nan 0.000 0.462 16 A N 1.070 123.916 122.820 0.045 0.000 1.940 16 A HA -0.246 4.074 4.320 0.000 0.000 0.219 16 A C 2.089 179.739 177.584 0.110 0.000 1.176 16 A CA 1.641 53.713 52.037 0.057 0.000 0.631 16 A CB -0.496 18.511 19.000 0.011 0.000 0.814 16 A HN 0.108 nan 8.150 nan 0.000 0.446 17 R N -0.707 119.848 120.500 0.092 0.000 2.070 17 R HA -0.158 4.182 4.340 0.000 0.000 0.232 17 R C 2.559 178.969 176.300 0.184 0.000 1.138 17 R CA 1.728 57.904 56.100 0.127 0.000 0.936 17 R CB -0.323 30.024 30.300 0.079 0.000 0.839 17 R HN 0.629 nan 8.270 nan 0.000 0.429 18 R N 0.227 120.801 120.500 0.122 0.000 2.109 18 R HA -0.180 4.160 4.340 0.000 0.000 0.227 18 R C 2.127 178.500 176.300 0.122 0.000 1.132 18 R CA 1.925 58.086 56.100 0.101 0.000 0.907 18 R CB -0.680 29.659 30.300 0.064 0.000 0.825 18 R HN 0.270 nan 8.270 nan 0.000 0.432 19 A N 0.715 123.603 122.820 0.113 0.000 1.935 19 A HA -0.313 4.008 4.320 0.000 0.000 0.224 19 A C 2.137 179.818 177.584 0.161 0.000 1.324 19 A CA 2.246 54.351 52.037 0.113 0.000 0.686 19 A CB -1.319 17.756 19.000 0.125 0.000 0.837 19 A HN 0.637 nan 8.150 nan 0.000 0.481 20 F N 0.039 120.047 119.950 0.096 0.000 2.102 20 F HA -0.155 4.372 4.527 0.000 0.000 0.298 20 F C 2.506 178.401 175.800 0.160 0.000 1.105 20 F CA 2.052 60.157 58.000 0.175 0.000 1.239 20 F CB -0.370 38.720 39.000 0.152 0.000 0.991 20 F HN 0.157 nan 8.300 nan 0.000 0.474 21 R N 0.207 120.816 120.500 0.182 0.000 2.103 21 R HA -0.265 4.075 4.340 0.000 0.000 0.234 21 R C 2.201 178.482 176.300 -0.033 0.000 1.132 21 R CA 2.145 58.285 56.100 0.066 0.000 0.925 21 R CB -0.775 29.580 30.300 0.091 0.000 0.842 21 R HN 0.359 nan 8.270 nan 0.000 0.430 22 E N 0.320 120.514 120.200 -0.010 0.000 2.063 22 E HA -0.317 4.033 4.350 0.000 0.000 0.221 22 E C 1.830 178.351 176.600 -0.132 0.000 1.052 22 E CA 2.357 58.727 56.400 -0.049 0.000 0.891 22 E CB -0.163 29.524 29.700 -0.022 0.000 0.792 22 E HN 0.208 nan 8.360 nan 0.000 0.482 23 E N -0.660 119.429 120.200 -0.184 0.000 2.038 23 E HA -0.176 4.174 4.350 0.000 0.000 0.195 23 E C 1.776 178.019 176.600 -0.594 0.000 1.000 23 E CA 1.907 58.073 56.400 -0.389 0.000 0.803 23 E CB -0.334 29.091 29.700 -0.458 0.000 0.750 23 E HN 0.387 nan 8.360 nan 0.000 0.448 24 F N -1.646 118.036 119.950 -0.447 0.000 2.754 24 F HA 0.259 4.786 4.527 0.000 0.000 0.297 24 F C 1.858 177.467 175.800 -0.319 0.000 1.122 24 F CA 0.547 58.251 58.000 -0.493 0.000 1.400 24 F CB 0.697 39.129 39.000 -0.947 0.000 1.117 24 F HN 0.298 nan 8.300 nan 0.000 0.587 25 G N 0.322 109.038 108.800 -0.141 0.000 2.284 25 G HA2 -0.263 3.697 3.960 0.000 0.000 0.247 25 G HA3 -0.263 3.697 3.960 0.000 0.000 0.247 25 G C 0.520 175.406 174.900 -0.022 0.000 1.012 25 G CA 0.001 45.063 45.100 -0.063 0.000 0.618 25 G HN 0.634 nan 8.290 nan 0.000 0.521 26 A N -0.101 122.698 122.820 -0.035 0.000 2.242 26 A HA 0.706 5.026 4.320 0.000 0.000 0.304 26 A C 0.200 177.895 177.584 0.186 0.000 1.100 26 A CA -0.175 51.902 52.037 0.066 0.000 0.860 26 A CB 0.585 19.653 19.000 0.113 0.000 1.168 26 A HN 0.198 nan 8.150 nan 0.000 0.503 27 E N 1.201 121.542 120.200 0.235 0.000 2.146 27 E HA 0.364 4.714 4.350 0.000 0.000 0.282 27 E C -2.408 174.399 176.600 0.345 0.000 0.989 27 E CA -1.732 54.827 56.400 0.265 0.000 0.799 27 E CB 1.133 30.918 29.700 0.141 0.000 1.088 27 E HN 0.332 nan 8.360 nan 0.000 0.397 28 P HA 0.116 nan 4.420 nan 0.000 0.271 28 P C 0.243 177.508 177.300 -0.058 0.000 1.216 28 P CA 0.088 63.109 63.100 -0.131 0.000 0.776 28 P CB 1.148 32.401 31.700 -0.745 0.000 0.881 29 E N 0.896 121.061 120.200 -0.059 0.000 2.086 29 E HA 0.035 4.385 4.350 0.000 0.000 0.190 29 E C 0.430 177.002 176.600 -0.046 0.000 0.975 29 E CA 0.637 57.021 56.400 -0.025 0.000 0.813 29 E CB 0.005 29.701 29.700 -0.005 0.000 0.768 29 E HN 0.425 nan 8.360 nan 0.000 0.457 30 L N -0.745 120.447 121.223 -0.052 0.000 2.331 30 L HA 0.796 5.136 4.340 0.000 0.000 0.268 30 L C -0.509 176.366 176.870 0.008 0.000 1.015 30 L CA -1.262 53.568 54.840 -0.018 0.000 0.807 30 L CB 1.753 43.788 42.059 -0.040 0.000 1.293 30 L HN -0.149 nan 8.230 nan 0.000 0.451 31 A N 0.814 123.654 122.820 0.033 0.000 2.512 31 A HA 0.677 4.997 4.320 0.000 0.000 0.294 31 A C -1.145 176.467 177.584 0.047 0.000 1.054 31 A CA -0.506 51.549 52.037 0.031 0.000 0.756 31 A CB 1.564 20.558 19.000 -0.010 0.000 1.293 31 A HN 0.748 nan 8.150 nan 0.000 0.395 32 V N -0.057 119.898 119.914 0.069 0.000 3.007 32 V HA 1.009 5.129 4.120 0.000 0.000 0.311 32 V C -0.297 175.819 176.094 0.036 0.000 1.120 32 V CA -0.110 62.226 62.300 0.061 0.000 0.980 32 V CB 1.728 33.611 31.823 0.100 0.000 1.033 32 V HN 1.968 nan 8.190 nan 0.000 0.429 33 S N 2.075 117.792 115.700 0.028 0.000 2.538 33 S HA 0.956 5.426 4.470 0.000 0.000 0.288 33 S C -0.560 174.050 174.600 0.018 0.000 1.108 33 S CA -0.070 58.140 58.200 0.016 0.000 0.971 33 S CB 1.599 64.803 63.200 0.007 0.000 1.041 33 S HN 2.509 nan 8.310 nan 0.000 0.483 34 A N 3.750 126.576 122.820 0.011 0.000 2.408 34 A HA 0.868 5.188 4.320 0.000 0.000 0.295 34 A C -3.130 174.451 177.584 -0.005 0.000 1.040 34 A CA -1.702 50.340 52.037 0.009 0.000 0.707 34 A CB 1.404 20.417 19.000 0.022 0.000 1.235 34 A HN 0.641 nan 8.150 nan 0.000 0.418 35 P HA 0.465 nan 4.420 nan 0.000 0.278 35 P C 0.549 177.834 177.300 -0.024 0.000 1.258 35 P CA 0.080 63.169 63.100 -0.018 0.000 0.811 35 P CB 1.311 33.003 31.700 -0.012 0.000 1.063 36 G N 0.647 109.422 108.800 -0.041 0.000 2.574 36 G HA2 0.674 4.634 3.960 0.000 0.000 0.248 36 G HA3 0.674 4.634 3.960 0.000 0.000 0.248 36 G C -0.548 174.329 174.900 -0.039 0.000 1.422 36 G CA -0.547 44.524 45.100 -0.049 0.000 1.051 36 G HN 0.786 nan 8.290 nan 0.000 0.560 37 R N -3.013 117.461 120.500 -0.043 0.000 2.709 37 R HA 0.577 4.917 4.340 0.000 0.000 0.270 37 R C -2.081 174.202 176.300 -0.028 0.000 1.038 37 R CA -0.809 55.275 56.100 -0.026 0.000 0.872 37 R CB 1.090 31.389 30.300 -0.001 0.000 1.259 37 R HN 0.864 nan 8.270 nan 0.000 0.473 38 V N 1.491 121.396 119.914 -0.016 0.000 2.555 38 V HA 0.543 4.663 4.120 0.000 0.000 0.302 38 V C -0.807 175.297 176.094 0.018 0.000 1.038 38 V CA -0.896 61.402 62.300 -0.004 0.000 0.887 38 V CB 1.895 33.713 31.823 -0.008 0.000 0.991 38 V HN 0.859 nan 8.190 nan 0.000 0.434 39 N N 5.071 123.785 118.700 0.023 0.000 2.414 39 N HA 0.303 5.043 4.740 0.000 0.000 0.256 39 N C 0.827 176.374 175.510 0.060 0.000 1.029 39 N CA -0.537 52.533 53.050 0.033 0.000 0.948 39 N CB 1.157 39.652 38.487 0.014 0.000 1.102 39 N HN 0.741 nan 8.380 nan 0.000 0.496 40 L N 3.797 125.075 121.223 0.092 0.000 2.217 40 L HA 0.243 4.583 4.340 0.000 0.000 0.211 40 L C 0.930 177.886 176.870 0.144 0.000 1.107 40 L CA 0.805 55.740 54.840 0.158 0.000 0.783 40 L CB -0.079 42.128 42.059 0.247 0.000 0.919 40 L HN 0.620 nan 8.230 nan 0.000 0.442 41 I N -1.578 119.040 120.570 0.079 0.000 2.793 41 I HA 0.442 4.612 4.170 0.000 0.000 0.295 41 I C -1.086 175.015 176.117 -0.027 0.000 1.610 41 I CA -0.277 61.025 61.300 0.004 0.000 0.986 41 I CB 2.204 40.151 38.000 -0.088 0.000 1.402 41 I HN 0.032 nan 8.210 nan 0.000 0.500 42 G N 4.117 112.883 108.800 -0.056 0.000 2.797 42 G HA2 -0.106 3.854 3.960 0.000 0.000 0.192 42 G HA3 -0.106 3.854 3.960 0.000 0.000 0.192 42 G C -0.919 173.928 174.900 -0.088 0.000 1.101 42 G CA -0.384 44.661 45.100 -0.092 0.000 0.930 42 G HN 0.671 nan 8.290 nan 0.000 0.512 43 E N 0.765 120.944 120.200 -0.035 0.000 2.227 43 E HA 0.598 4.948 4.350 0.000 0.000 0.282 43 E C 1.210 177.798 176.600 -0.019 0.000 1.015 43 E CA -0.261 56.126 56.400 -0.021 0.000 0.823 43 E CB 0.224 29.964 29.700 0.068 0.000 1.081 43 E HN 0.419 nan 8.360 nan 0.000 0.396 44 H N 1.780 120.732 119.070 -0.197 0.000 2.862 44 H HA -0.162 4.394 4.556 0.000 0.000 0.290 44 H C 0.511 175.453 175.328 -0.644 0.000 1.211 44 H CA 1.297 57.083 56.048 -0.436 0.000 1.140 44 H CB -1.746 27.657 29.762 -0.597 0.000 1.341 44 H HN 0.590 nan 8.280 nan 0.000 0.392 45 T N -3.607 110.695 114.554 -0.420 0.000 2.971 45 T HA -0.030 4.320 4.350 0.000 0.000 0.252 45 T C 1.579 176.069 174.700 -0.350 0.000 1.022 45 T CA 0.442 62.314 62.100 -0.380 0.000 0.980 45 T CB 0.392 69.100 68.868 -0.266 0.000 1.044 45 T HN 0.275 nan 8.240 nan 0.000 0.501 46 D N 2.458 122.668 120.400 -0.317 0.000 2.144 46 D HA -0.200 4.440 4.640 0.000 0.000 0.199 46 D C 1.695 177.950 176.300 -0.076 0.000 0.984 46 D CA 1.239 55.139 54.000 -0.166 0.000 0.834 46 D CB -0.963 39.789 40.800 -0.080 0.000 0.955 46 D HN 0.724 nan 8.370 nan 0.000 0.465 47 Y N -0.977 119.339 120.300 0.028 0.000 2.490 47 Y HA 0.369 4.919 4.550 0.000 0.000 0.281 47 Y C 1.004 176.926 175.900 0.037 0.000 1.174 47 Y CA -0.251 57.886 58.100 0.061 0.000 1.295 47 Y CB -0.586 37.956 38.460 0.137 0.000 1.062 47 Y HN -0.161 nan 8.280 nan 0.000 0.522 48 N N 1.073 119.707 118.700 -0.112 0.000 2.214 48 N HA 0.016 4.756 4.740 0.000 0.000 0.214 48 N C -0.393 175.078 175.510 -0.064 0.000 1.132 48 N CA 0.267 53.281 53.050 -0.060 0.000 0.856 48 N CB 0.185 38.592 38.487 -0.134 0.000 1.020 48 N HN 0.477 nan 8.380 nan 0.000 0.509 49 Q N -0.500 119.262 119.800 -0.064 0.000 2.481 49 Q HA -0.126 4.214 4.340 0.000 0.000 0.283 49 Q C 0.382 176.326 176.000 -0.093 0.000 1.292 49 Q CA 0.481 56.244 55.803 -0.067 0.000 0.819 49 Q CB -1.566 27.147 28.738 -0.042 0.000 1.202 49 Q HN 0.469 nan 8.270 nan 0.000 0.446 50 G N -0.340 108.385 108.800 -0.126 0.000 2.782 50 G HA2 0.778 4.738 3.960 0.000 0.000 0.201 50 G HA3 0.778 4.738 3.960 0.000 0.000 0.201 50 G C -0.436 174.388 174.900 -0.127 0.000 1.374 50 G CA -0.871 44.150 45.100 -0.131 0.000 1.039 50 G HN 0.089 nan 8.290 nan 0.000 0.576 51 L N 0.137 121.286 121.223 -0.125 0.000 2.329 51 L HA 0.665 5.005 4.340 0.000 0.000 0.279 51 L C -0.154 176.652 176.870 -0.106 0.000 1.014 51 L CA -1.021 53.755 54.840 -0.106 0.000 0.814 51 L CB 1.915 43.923 42.059 -0.085 0.000 1.257 51 L HN 0.420 nan 8.230 nan 0.000 0.424 52 V N 0.785 120.647 119.914 -0.087 0.000 3.040 52 V HA 0.617 4.737 4.120 0.000 0.000 0.312 52 V C -0.893 175.186 176.094 -0.024 0.000 1.115 52 V CA -0.793 61.467 62.300 -0.067 0.000 0.998 52 V CB 2.471 34.248 31.823 -0.077 0.000 1.042 52 V HN 0.577 nan 8.190 nan 0.000 0.433 53 L N 4.198 125.423 121.223 0.005 0.000 2.678 53 L HA 0.631 4.971 4.340 0.000 0.000 0.250 53 L C -2.558 174.351 176.870 0.065 0.000 1.455 53 L CA -1.526 53.345 54.840 0.051 0.000 0.823 53 L CB 0.919 43.036 42.059 0.096 0.000 1.107 53 L HN 0.653 nan 8.230 nan 0.000 0.514 57 L N 1.519 122.730 121.223 -0.020 0.000 2.360 57 L HA 0.425 4.765 4.340 0.000 0.000 0.271 57 L C 1.393 178.245 176.870 -0.029 0.000 1.057 57 L CA -0.477 54.340 54.840 -0.037 0.000 0.803 57 L CB 1.538 43.550 42.059 -0.079 0.000 1.207 57 L HN 1.048 nan 8.230 nan 0.000 0.445 58 E N 1.044 121.231 120.200 -0.021 0.000 2.208 58 E HA -0.019 4.331 4.350 0.000 0.000 0.193 58 E C 0.494 177.086 176.600 -0.014 0.000 0.988 58 E CA 0.362 56.759 56.400 -0.004 0.000 0.828 58 E CB 0.170 29.880 29.700 0.017 0.000 0.763 58 E HN 0.375 nan 8.360 nan 0.000 0.478 62 V N 3.652 123.550 119.914 -0.026 0.000 2.532 62 V HA 0.701 4.821 4.120 0.000 0.000 0.295 62 V C -0.435 175.633 176.094 -0.043 0.000 1.041 62 V CA -0.764 61.522 62.300 -0.023 0.000 0.926 62 V CB 1.751 33.563 31.823 -0.017 0.000 0.992 62 V HN 0.755 nan 8.190 nan 0.000 0.457 63 L N 5.233 126.425 121.223 -0.051 0.000 2.462 63 L HA 0.508 4.848 4.340 0.000 0.000 0.255 63 L C -0.490 176.287 176.870 -0.156 0.000 1.076 63 L CA 0.129 54.895 54.840 -0.122 0.000 0.920 63 L CB 1.482 43.446 42.059 -0.160 0.000 1.214 63 L HN 0.473 nan 8.230 nan 0.000 0.472 64 V N 3.458 123.271 119.914 -0.168 0.000 2.649 64 V HA 0.900 5.020 4.120 0.000 0.000 0.292 64 V C 0.700 176.524 176.094 -0.450 0.000 1.055 64 V CA 0.620 62.779 62.300 -0.236 0.000 1.023 64 V CB 1.186 32.886 31.823 -0.205 0.000 0.992 64 V HN 0.828 nan 8.190 nan 0.000 0.480 65 G N 3.382 111.917 108.800 -0.441 0.000 2.488 65 G HA2 0.634 4.594 3.960 0.000 0.000 0.301 65 G HA3 0.634 4.594 3.960 0.000 0.000 0.301 65 G C -1.432 173.368 174.900 -0.167 0.000 1.339 65 G CA -0.339 44.491 45.100 -0.451 0.000 0.803 65 G HN 0.724 nan 8.290 nan 0.000 0.482 66 S N 0.735 116.461 115.700 0.043 0.000 2.535 66 S HA 0.734 5.204 4.470 0.000 0.000 0.272 66 S C -3.072 171.621 174.600 0.155 0.000 1.149 66 S CA -0.747 57.506 58.200 0.087 0.000 0.888 66 S CB 2.882 66.135 63.200 0.088 0.000 1.110 66 S HN 0.661 nan 8.310 nan 0.000 0.463 67 P HA 0.442 nan 4.420 nan 0.000 0.274 67 P C -1.107 176.224 177.300 0.052 0.000 1.237 67 P CA -0.524 62.619 63.100 0.073 0.000 0.793 67 P CB 0.511 32.205 31.700 -0.011 0.000 0.977 68 R N 0.820 121.344 120.500 0.040 0.000 2.502 68 R HA 0.257 4.597 4.340 0.000 0.000 0.300 68 R C 1.097 177.392 176.300 -0.009 0.000 0.984 68 R CA -0.559 55.542 56.100 0.001 0.000 0.882 68 R CB 1.476 31.756 30.300 -0.033 0.000 1.180 68 R HN 0.322 nan 8.270 nan 0.000 0.444 69 K N 0.987 121.383 120.400 -0.007 0.000 2.211 69 K HA -0.120 4.200 4.320 0.000 0.000 0.203 69 K C 0.485 177.077 176.600 -0.013 0.000 1.050 69 K CA 1.425 57.707 56.287 -0.009 0.000 0.945 69 K CB 0.198 32.696 32.500 -0.004 0.000 0.732 69 K HN 0.515 nan 8.250 nan 0.000 0.451 70 D N -0.624 119.766 120.400 -0.016 0.000 2.149 70 D HA -0.162 4.479 4.640 0.000 0.000 0.194 70 D C 1.297 177.577 176.300 -0.033 0.000 1.001 70 D CA 1.975 55.962 54.000 -0.021 0.000 0.849 70 D CB -0.079 40.707 40.800 -0.023 0.000 0.939 70 D HN 0.430 nan 8.370 nan 0.000 0.449 71 G N -1.761 107.012 108.800 -0.044 0.000 2.179 71 G HA2 -0.218 3.742 3.960 0.000 0.000 0.220 71 G HA3 -0.218 3.742 3.960 0.000 0.000 0.220 71 G C 0.138 174.981 174.900 -0.096 0.000 0.990 71 G CA 0.288 45.357 45.100 -0.052 0.000 0.646 71 G HN 0.288 nan 8.290 nan 0.000 0.517 72 L N -0.246 120.895 121.223 -0.137 0.000 2.421 72 L HA 0.891 5.231 4.340 0.000 0.000 0.267 72 L C 0.331 176.950 176.870 -0.418 0.000 1.036 72 L CA -1.568 53.128 54.840 -0.240 0.000 0.829 72 L CB 1.544 43.480 42.059 -0.205 0.000 1.437 72 L HN -0.036 nan 8.230 nan 0.000 0.488 73 V N -0.212 119.309 119.914 -0.655 0.000 2.443 73 V HA 0.599 4.719 4.120 0.000 0.000 0.293 73 V C -0.452 175.204 176.094 -0.730 0.000 1.021 73 V CA -0.472 61.242 62.300 -0.977 0.000 0.848 73 V CB 1.085 32.071 31.823 -1.395 0.000 0.998 73 V HN 0.758 nan 8.190 nan 0.000 0.424 74 S N 6.313 121.767 115.700 -0.411 0.000 2.532 74 S HA 0.923 5.393 4.470 0.000 0.000 0.299 74 S C -1.007 173.669 174.600 0.127 0.000 1.105 74 S CA -0.665 57.504 58.200 -0.052 0.000 1.018 74 S CB 1.523 64.808 63.200 0.142 0.000 1.021 74 S HN 0.656 nan 8.310 nan 0.000 0.483 75 L N 1.946 123.315 121.223 0.243 0.000 2.371 75 L HA 0.887 5.227 4.340 0.000 0.000 0.262 75 L C -1.152 175.985 176.870 0.444 0.000 1.006 75 L CA -1.206 53.862 54.840 0.381 0.000 0.818 75 L CB 1.697 44.032 42.059 0.459 0.000 1.354 75 L HN 0.687 nan 8.230 nan 0.000 0.415 76 L N 0.552 122.005 121.223 0.382 0.000 2.409 76 L HA 0.771 5.111 4.340 0.000 0.000 0.272 76 L C -0.726 176.209 176.870 0.108 0.000 0.980 76 L CA 0.287 55.293 54.840 0.276 0.000 0.826 76 L CB 2.295 44.463 42.059 0.181 0.000 1.268 76 L HN 0.725 nan 8.230 nan 0.000 0.407 77 T N 2.320 116.842 114.554 -0.054 0.000 2.867 77 T HA 0.330 4.680 4.350 0.000 0.000 0.282 77 T C 0.738 175.341 174.700 -0.161 0.000 1.000 77 T CA -0.388 61.532 62.100 -0.301 0.000 1.042 77 T CB 1.472 69.811 68.868 -0.881 0.000 0.973 77 T HN 0.682 nan 8.240 nan 0.000 0.465 78 T N 1.658 116.132 114.554 -0.133 0.000 3.144 78 T HA 0.118 4.468 4.350 0.000 0.000 0.249 78 T C 0.768 175.413 174.700 -0.091 0.000 1.089 78 T CA 0.018 62.074 62.100 -0.074 0.000 0.989 78 T CB 0.150 68.996 68.868 -0.038 0.000 0.992 78 T HN 0.434 nan 8.240 nan 0.000 0.540 79 S N 1.913 117.518 115.700 -0.159 0.000 2.439 79 S HA 0.184 4.654 4.470 0.000 0.000 0.282 79 S C 1.062 175.605 174.600 -0.096 0.000 1.170 79 S CA -0.465 57.653 58.200 -0.136 0.000 1.054 79 S CB 1.331 64.427 63.200 -0.172 0.000 0.956 79 S HN 0.400 nan 8.310 nan 0.000 0.490 80 E N 2.947 123.119 120.200 -0.046 0.000 2.152 80 E HA -0.079 4.271 4.350 0.000 0.000 0.192 80 E C 2.042 178.640 176.600 -0.003 0.000 0.983 80 E CA 0.655 57.045 56.400 -0.016 0.000 0.818 80 E CB -0.050 29.648 29.700 -0.003 0.000 0.758 80 E HN 0.821 nan 8.360 nan 0.000 0.467 81 G N 0.778 109.572 108.800 -0.011 0.000 2.511 81 G HA2 0.044 4.004 3.960 0.000 0.000 0.217 81 G HA3 0.044 4.004 3.960 0.000 0.000 0.217 81 G C 0.575 175.487 174.900 0.020 0.000 1.133 81 G CA 0.353 45.458 45.100 0.009 0.000 0.792 81 G HN 0.291 nan 8.290 nan 0.000 0.539 82 A N 0.583 123.389 122.820 -0.024 0.000 2.445 82 A HA 0.379 4.699 4.320 0.000 0.000 0.242 82 A C 0.498 178.163 177.584 0.136 0.000 1.075 82 A CA -0.315 51.720 52.037 -0.004 0.000 0.777 82 A CB 0.110 18.943 19.000 -0.279 0.000 1.013 82 A HN 0.259 nan 8.150 nan 0.000 0.493 83 D N 0.163 120.734 120.400 0.285 0.000 2.357 83 D HA -0.079 4.561 4.640 0.000 0.000 0.227 83 D C 0.190 176.675 176.300 0.309 0.000 1.337 83 D CA 1.143 55.330 54.000 0.312 0.000 0.889 83 D CB 0.342 41.374 40.800 0.386 0.000 1.258 83 D HN 0.590 nan 8.370 nan 0.000 0.549 84 E N 0.177 120.498 120.200 0.201 0.000 2.199 84 E HA 0.332 4.682 4.350 0.000 0.000 0.269 84 E C -1.757 174.913 176.600 0.116 0.000 0.899 84 E CA -1.634 54.862 56.400 0.160 0.000 0.772 84 E CB 1.689 31.448 29.700 0.098 0.000 1.155 84 E HN 0.257 nan 8.360 nan 0.000 0.408 85 P HA -0.041 nan 4.420 nan 0.000 0.321 85 P C 0.002 177.499 177.300 0.329 0.000 1.338 85 P CA 0.140 63.338 63.100 0.163 0.000 0.764 85 P CB 0.571 32.343 31.700 0.120 0.000 1.641 86 Q N -2.196 117.801 119.800 0.329 0.000 2.185 86 Q HA 0.183 4.523 4.340 0.000 0.000 0.234 86 Q C 0.373 176.684 176.000 0.519 0.000 0.819 86 Q CA 0.040 56.078 55.803 0.392 0.000 0.961 86 Q CB 0.754 29.586 28.738 0.157 0.000 1.140 86 Q HN 0.279 nan 8.270 nan 0.000 0.492 87 R N -0.234 120.509 120.500 0.404 0.000 2.888 87 R HA 0.720 5.060 4.340 0.000 0.000 0.266 87 R C -1.678 174.743 176.300 0.202 0.000 1.020 87 R CA -0.799 55.498 56.100 0.328 0.000 0.963 87 R CB 1.878 32.271 30.300 0.156 0.000 1.197 87 R HN -0.070 nan 8.270 nan 0.000 0.481 88 L N 0.635 121.959 121.223 0.169 0.000 2.672 88 L HA 0.278 4.618 4.340 0.000 0.000 0.256 88 L C -2.023 174.927 176.870 0.133 0.000 0.946 88 L CA -0.229 54.666 54.840 0.093 0.000 0.889 88 L CB 2.475 44.520 42.059 -0.023 0.000 1.441 88 L HN 0.626 nan 8.230 nan 0.000 0.418 89 Q N 3.628 123.498 119.800 0.118 0.000 2.269 89 Q HA 0.717 5.057 4.340 0.000 0.000 0.263 89 Q C -1.510 174.547 176.000 0.096 0.000 0.983 89 Q CA -0.271 55.557 55.803 0.042 0.000 0.777 89 Q CB 2.215 30.963 28.738 0.015 0.000 1.273 89 Q HN 0.444 nan 8.270 nan 0.000 0.440 90 F N -0.556 119.358 119.950 -0.060 0.000 2.629 90 F HA 0.953 5.480 4.527 0.000 0.000 0.316 90 F C -2.917 172.847 175.800 -0.060 0.000 1.081 90 F CA -2.972 54.993 58.000 -0.057 0.000 0.954 90 F CB 1.237 40.202 39.000 -0.059 0.000 1.337 90 F HN 0.163 nan 8.300 nan 0.000 0.474 91 P HA 0.241 nan 4.420 nan 0.000 0.286 91 P C -0.253 177.111 177.300 0.107 0.000 1.269 91 P CA -0.177 62.937 63.100 0.024 0.000 0.787 91 P CB 1.476 33.217 31.700 0.069 0.000 0.920 92 L N 5.121 126.323 121.223 -0.034 0.000 2.517 92 L HA -0.003 4.337 4.340 0.000 0.000 0.294 92 L C -1.560 175.372 176.870 0.104 0.000 1.264 92 L CA -0.777 54.083 54.840 0.034 0.000 0.839 92 L CB -0.357 41.693 42.059 -0.014 0.000 1.098 92 L HN 0.301 nan 8.230 nan 0.000 0.525 93 P HA 0.328 nan 4.420 nan 0.000 0.279 93 P C -0.957 176.379 177.300 0.059 0.000 1.282 93 P CA -0.327 62.831 63.100 0.098 0.000 0.788 93 P CB 0.929 32.687 31.700 0.097 0.000 1.139 94 T N -1.708 112.873 114.554 0.046 0.000 2.786 94 T HA 0.417 4.767 4.350 0.000 0.000 0.316 94 T C 0.886 175.602 174.700 0.027 0.000 1.503 94 T CA 0.070 62.189 62.100 0.033 0.000 1.019 94 T CB 1.250 70.134 68.868 0.026 0.000 1.415 94 T HN 0.248 nan 8.240 nan 0.000 0.496 95 A N 0.544 123.378 122.820 0.024 0.000 1.978 95 A HA 0.054 4.374 4.320 0.000 0.000 0.220 95 A C 2.309 179.904 177.584 0.017 0.000 1.170 95 A CA 2.641 54.690 52.037 0.021 0.000 0.636 95 A CB -1.319 17.692 19.000 0.020 0.000 0.810 95 A HN 0.949 nan 8.150 nan 0.000 0.448 96 Q N 0.603 120.412 119.800 0.016 0.000 1.858 96 Q HA -0.030 4.310 4.340 0.000 0.000 0.224 96 Q C 1.548 177.555 176.000 0.011 0.000 0.980 96 Q CA 1.347 57.157 55.803 0.012 0.000 0.868 96 Q CB -0.748 27.997 28.738 0.011 0.000 0.920 96 Q HN 0.901 nan 8.270 nan 0.000 0.427 97 R N 0.839 121.349 120.500 0.016 0.000 2.347 97 R HA 0.396 4.736 4.340 0.000 0.000 0.304 97 R C -1.242 175.071 176.300 0.023 0.000 1.072 97 R CA 0.389 56.499 56.100 0.017 0.000 0.980 97 R CB 0.675 30.990 30.300 0.026 0.000 0.986 97 R HN 0.284 nan 8.270 nan 0.000 0.448 98 S N 6.153 121.859 115.700 0.010 0.000 2.577 98 S HA 0.238 4.708 4.470 0.000 0.000 0.294 98 S C 0.124 174.723 174.600 -0.001 0.000 1.161 98 S CA -0.859 57.348 58.200 0.012 0.000 1.143 98 S CB 0.573 63.774 63.200 0.002 0.000 0.991 98 S HN 0.526 nan 8.310 nan 0.000 0.475 99 L N 2.765 124.013 121.223 0.041 0.000 3.174 99 L HA -0.184 4.156 4.340 0.000 0.000 0.362 99 L C 0.256 177.056 176.870 -0.116 0.000 1.188 99 L CA 0.753 55.608 54.840 0.025 0.000 0.810 99 L CB -0.465 41.690 42.059 0.161 0.000 1.129 99 L HN 0.535 nan 8.230 nan 0.000 0.615 100 E N 4.186 124.261 120.200 -0.207 0.000 2.238 100 E HA 0.450 4.800 4.350 0.000 0.000 0.267 100 E C -2.345 174.034 176.600 -0.369 0.000 0.887 100 E CA -1.810 54.395 56.400 -0.325 0.000 0.769 100 E CB 1.243 30.814 29.700 -0.215 0.000 1.187 100 E HN 0.360 nan 8.360 nan 0.000 0.416 101 P HA 0.196 nan 4.420 nan 0.000 0.276 101 P C -0.413 176.744 177.300 -0.237 0.000 1.264 101 P CA -0.025 62.868 63.100 -0.344 0.000 0.769 101 P CB 1.292 32.772 31.700 -0.366 0.000 0.840 102 G N 2.235 110.906 108.800 -0.216 0.000 3.359 102 G HA2 0.538 4.498 3.960 0.000 0.000 0.187 102 G HA3 0.538 4.498 3.960 0.000 0.000 0.187 102 G C -1.075 173.728 174.900 -0.162 0.000 1.294 102 G CA -0.196 44.797 45.100 -0.179 0.000 0.769 102 G HN 0.385 nan 8.290 nan 0.000 0.733 103 T N 2.227 116.681 114.554 -0.166 0.000 2.912 103 T HA 0.610 4.960 4.350 0.000 0.000 0.299 103 T C -2.773 171.800 174.700 -0.212 0.000 1.052 103 T CA -0.496 61.511 62.100 -0.156 0.000 0.996 103 T CB 2.218 71.030 68.868 -0.094 0.000 1.070 103 T HN 0.342 nan 8.240 nan 0.000 0.465 104 P HA 0.295 nan 4.420 nan 0.000 0.269 104 P C 0.523 177.674 177.300 -0.249 0.000 1.209 104 P CA -0.378 62.558 63.100 -0.274 0.000 0.776 104 P CB 0.992 32.376 31.700 -0.527 0.000 0.876 105 R N 1.605 122.061 120.500 -0.074 0.000 2.096 105 R HA -0.114 4.226 4.340 0.000 0.000 0.235 105 R C 2.265 178.603 176.300 0.063 0.000 1.127 105 R CA 1.873 57.957 56.100 -0.028 0.000 0.968 105 R CB -0.602 29.716 30.300 0.031 0.000 0.861 105 R HN 0.728 nan 8.270 nan 0.000 0.440 106 W N 1.013 122.387 121.300 0.124 0.000 2.331 106 W HA -0.152 4.508 4.660 0.000 0.000 0.291 106 W C 1.373 178.031 176.519 0.232 0.000 1.214 106 W CA 0.823 58.307 57.345 0.232 0.000 1.228 106 W CB -0.403 29.167 29.460 0.183 0.000 1.135 106 W HN 0.070 nan 8.180 nan 0.000 0.537 107 A N 1.548 124.118 122.820 -0.417 0.000 2.209 107 A HA -0.135 4.185 4.320 0.000 0.000 0.212 107 A C 1.659 179.225 177.584 -0.029 0.000 1.158 107 A CA 1.334 53.136 52.037 -0.393 0.000 0.742 107 A CB -0.834 17.699 19.000 -0.779 0.000 0.790 107 A HN 0.332 nan 8.150 nan 0.000 0.472 108 N N -0.672 118.014 118.700 -0.023 0.000 2.223 108 N HA -0.151 4.589 4.740 0.000 0.000 0.185 108 N C 1.213 176.767 175.510 0.074 0.000 1.016 108 N CA 1.455 54.495 53.050 -0.018 0.000 0.863 108 N CB -0.537 37.864 38.487 -0.145 0.000 0.983 108 N HN 0.711 nan 8.380 nan 0.000 0.429 109 Y N -0.115 120.319 120.300 0.224 0.000 2.242 109 Y HA -0.051 4.499 4.550 0.000 0.000 0.291 109 Y C 2.171 178.207 175.900 0.226 0.000 1.137 109 Y CA 0.540 58.771 58.100 0.219 0.000 1.181 109 Y CB -0.076 38.520 38.460 0.227 0.000 0.989 109 Y HN -0.125 nan 8.280 nan 0.000 0.527 110 V N -0.117 120.060 119.914 0.439 0.000 3.041 110 V HA -0.183 3.938 4.120 0.000 0.000 0.260 110 V C 1.869 178.164 176.094 0.336 0.000 1.105 110 V CA 1.303 63.843 62.300 0.399 0.000 1.125 110 V CB -0.381 31.731 31.823 0.482 0.000 0.730 110 V HN 0.348 nan 8.190 nan 0.000 0.479 111 K N 0.793 121.338 120.400 0.242 0.000 2.007 111 K HA -0.026 4.294 4.320 0.000 0.000 0.206 111 K C 2.306 178.911 176.600 0.007 0.000 1.047 111 K CA 1.406 57.806 56.287 0.189 0.000 0.937 111 K CB -0.608 31.979 32.500 0.144 0.000 0.718 111 K HN 0.501 nan 8.250 nan 0.000 0.438 112 G N 1.062 109.681 108.800 -0.302 0.000 2.448 112 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 112 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 112 G C 1.560 176.439 174.900 -0.034 0.000 1.127 112 G CA 0.452 45.057 45.100 -0.825 0.000 0.766 112 G HN 0.049 nan 8.290 nan 0.000 0.552 113 V N 1.298 121.284 119.914 0.120 0.000 2.223 113 V HA -0.192 3.928 4.120 0.000 0.000 0.244 113 V C 2.775 179.027 176.094 0.263 0.000 1.045 113 V CA 1.775 64.234 62.300 0.266 0.000 1.000 113 V CB -0.496 31.516 31.823 0.315 0.000 0.635 113 V HN 0.398 nan 8.190 nan 0.000 0.445 114 I N -0.284 120.421 120.570 0.226 0.000 2.052 114 I HA -0.369 3.801 4.170 0.000 0.000 0.235 114 I C 2.666 178.859 176.117 0.127 0.000 1.046 114 I CA 2.209 63.638 61.300 0.215 0.000 1.308 114 I CB -0.705 37.474 38.000 0.300 0.000 1.031 114 I HN 0.344 nan 8.210 nan 0.000 0.395 115 Q N 0.555 120.353 119.800 -0.002 0.000 2.290 115 Q HA -0.243 4.097 4.340 0.000 0.000 0.211 115 Q C 1.310 177.118 176.000 -0.319 0.000 0.991 115 Q CA 2.081 57.761 55.803 -0.204 0.000 0.893 115 Q CB -0.328 28.111 28.738 -0.499 0.000 0.913 115 Q HN 0.711 nan 8.270 nan 0.000 0.428 116 Y N -2.704 117.602 120.300 0.010 0.000 2.500 116 Y HA 0.200 4.750 4.550 0.000 0.000 0.246 116 Y C -0.400 175.577 175.900 0.129 0.000 1.146 116 Y CA -0.854 57.273 58.100 0.044 0.000 1.230 116 Y CB 0.177 38.625 38.460 -0.019 0.000 1.214 116 Y HN -0.031 nan 8.280 nan 0.000 0.526 117 Y N 4.886 125.272 120.300 0.143 0.000 2.810 117 Y HA -0.016 4.534 4.550 0.000 0.000 0.332 117 Y C -1.395 174.548 175.900 0.072 0.000 1.243 117 Y CA -1.653 56.483 58.100 0.061 0.000 1.537 117 Y CB 0.901 39.315 38.460 -0.077 0.000 1.265 117 Y HN 0.012 nan 8.280 nan 0.000 0.572 118 P HA 0.042 nan 4.420 nan 0.000 0.219 118 P C -0.283 177.040 177.300 0.038 0.000 1.154 118 P CA 1.007 64.097 63.100 -0.017 0.000 0.826 118 P CB 0.069 31.723 31.700 -0.076 0.000 0.795 119 A N -0.074 122.765 122.820 0.032 0.000 2.272 119 A HA 0.638 4.958 4.320 0.000 0.000 0.275 119 A C 0.140 177.879 177.584 0.259 0.000 1.096 119 A CA 0.317 52.463 52.037 0.181 0.000 0.822 119 A CB 0.028 19.139 19.000 0.184 0.000 1.088 119 A HN 0.329 nan 8.150 nan 0.000 0.495 120 A N 0.210 123.110 122.820 0.132 0.000 2.586 120 A HA 0.737 5.057 4.320 0.000 0.000 0.291 120 A C -3.111 174.492 177.584 0.032 0.000 1.062 120 A CA -0.962 51.116 52.037 0.068 0.000 0.666 120 A CB 0.266 19.303 19.000 0.062 0.000 1.281 120 A HN 0.703 nan 8.150 nan 0.000 0.421 121 P HA 0.640 nan 4.420 nan 0.000 0.292 121 P C -1.294 175.984 177.300 -0.037 0.000 1.283 121 P CA -0.421 62.678 63.100 -0.002 0.000 0.835 121 P CB 0.899 32.598 31.700 -0.001 0.000 1.017 122 L N 5.523 126.721 121.223 -0.043 0.000 2.290 122 L HA 0.360 4.700 4.340 0.000 0.000 0.284 122 L C -1.667 175.185 176.870 -0.030 0.000 1.078 122 L CA -1.541 53.249 54.840 -0.083 0.000 0.815 122 L CB -0.040 41.957 42.059 -0.103 0.000 1.162 122 L HN 0.369 nan 8.230 nan 0.000 0.435 123 P HA 0.326 nan 4.420 nan 0.000 0.327 123 P C -0.554 176.780 177.300 0.056 0.000 1.342 123 P CA -0.449 62.654 63.100 0.004 0.000 0.761 123 P CB 0.231 31.926 31.700 -0.008 0.000 1.675 124 G N -1.835 107.000 108.800 0.058 0.000 2.569 124 G HA2 0.711 4.671 3.960 0.000 0.000 0.300 124 G HA3 0.711 4.671 3.960 0.000 0.000 0.300 124 G C -1.609 173.353 174.900 0.104 0.000 1.269 124 G CA -0.718 44.370 45.100 -0.019 0.000 0.959 124 G HN 0.464 nan 8.290 nan 0.000 0.478 125 F N -1.516 118.408 119.950 -0.043 0.000 2.668 125 F HA 0.774 5.301 4.527 0.000 0.000 0.309 125 F C -0.508 175.245 175.800 -0.077 0.000 1.117 125 F CA -1.425 56.580 58.000 0.007 0.000 0.951 125 F CB 1.389 40.529 39.000 0.233 0.000 1.323 125 F HN 0.370 nan 8.300 nan 0.000 0.451 126 S N 1.280 117.013 115.700 0.055 0.000 2.442 126 S HA 0.857 5.327 4.470 0.000 0.000 0.297 126 S C -0.580 174.060 174.600 0.068 0.000 1.131 126 S CA -0.375 57.660 58.200 -0.274 0.000 1.092 126 S CB 1.153 63.903 63.200 -0.750 0.000 0.998 126 S HN 1.009 nan 8.310 nan 0.000 0.478 127 A N 2.862 125.801 122.820 0.199 0.000 2.398 127 A HA 0.712 5.032 4.320 0.000 0.000 0.301 127 A C -1.030 176.722 177.584 0.279 0.000 1.041 127 A CA -0.680 51.427 52.037 0.116 0.000 0.711 127 A CB 1.178 20.226 19.000 0.080 0.000 1.240 127 A HN 0.608 nan 8.150 nan 0.000 0.420 128 V N 3.146 123.154 119.914 0.157 0.000 2.304 128 V HA 0.304 4.424 4.120 0.000 0.000 0.278 128 V C -0.063 176.044 176.094 0.022 0.000 1.018 128 V CA -0.617 61.783 62.300 0.167 0.000 0.814 128 V CB 1.057 33.015 31.823 0.225 0.000 1.021 128 V HN 0.632 nan 8.190 nan 0.000 0.440 129 V N 5.963 125.873 119.914 -0.005 0.000 2.488 129 V HA 0.373 4.493 4.120 0.000 0.000 0.277 129 V C 0.136 176.186 176.094 -0.073 0.000 1.046 129 V CA -0.044 62.215 62.300 -0.068 0.000 0.986 129 V CB 1.559 33.304 31.823 -0.131 0.000 0.989 129 V HN 0.614 nan 8.190 nan 0.000 0.475 130 V N 4.201 124.079 119.914 -0.059 0.000 2.656 130 V HA 0.714 4.834 4.120 0.000 0.000 0.307 130 V C -0.249 175.815 176.094 -0.050 0.000 1.051 130 V CA -0.292 61.980 62.300 -0.047 0.000 0.893 130 V CB 2.243 34.055 31.823 -0.019 0.000 0.999 130 V HN 0.850 nan 8.190 nan 0.000 0.426 131 S N 1.434 117.105 115.700 -0.049 0.000 2.603 131 S HA 0.342 4.812 4.470 0.000 0.000 0.274 131 S C 0.547 175.131 174.600 -0.027 0.000 1.168 131 S CA 0.062 58.234 58.200 -0.046 0.000 0.963 131 S CB 1.840 64.997 63.200 -0.071 0.000 1.078 131 S HN 0.919 nan 8.310 nan 0.000 0.477 132 S N 2.362 118.053 115.700 -0.015 0.000 2.593 132 S HA 0.136 4.606 4.470 0.000 0.000 0.217 132 S C 0.430 175.028 174.600 -0.003 0.000 0.966 132 S CA -0.142 58.064 58.200 0.011 0.000 0.914 132 S CB -0.301 62.916 63.200 0.028 0.000 0.776 132 S HN 0.570 nan 8.310 nan 0.000 0.523 133 V N 4.227 124.118 119.914 -0.039 0.000 2.389 133 V HA 0.281 4.401 4.120 0.000 0.000 0.264 133 V C -2.327 173.740 176.094 -0.045 0.000 1.049 133 V CA -2.234 60.025 62.300 -0.068 0.000 0.932 133 V CB -0.189 31.585 31.823 -0.081 0.000 1.011 133 V HN 0.193 nan 8.190 nan 0.000 0.475 134 P HA 0.016 nan 4.420 nan 0.000 0.255 134 P C -0.020 177.270 177.300 -0.016 0.000 1.173 134 P CA 0.166 63.272 63.100 0.010 0.000 0.780 134 P CB 0.297 32.025 31.700 0.046 0.000 0.758 135 L N 2.579 123.793 121.223 -0.016 0.000 2.514 135 L HA 0.091 4.431 4.340 0.000 0.000 0.280 135 L C 1.913 178.784 176.870 0.002 0.000 1.223 135 L CA 0.875 55.703 54.840 -0.020 0.000 0.864 135 L CB -0.583 41.465 42.059 -0.018 0.000 1.118 135 L HN 0.712 nan 8.230 nan 0.000 0.494 136 G N 2.292 111.095 108.800 0.006 0.000 2.225 136 G HA2 -0.319 3.641 3.960 0.000 0.000 0.272 136 G HA3 -0.319 3.641 3.960 0.000 0.000 0.272 136 G C 0.941 175.858 174.900 0.029 0.000 0.996 136 G CA 0.600 45.718 45.100 0.030 0.000 0.710 136 G HN 1.050 nan 8.290 nan 0.000 0.522 137 G N -0.461 108.346 108.800 0.013 0.000 2.956 137 G HA2 0.493 4.453 3.960 0.000 0.000 0.207 137 G HA3 0.493 4.453 3.960 0.000 0.000 0.207 137 G C 1.527 176.433 174.900 0.011 0.000 1.162 137 G CA 1.269 46.377 45.100 0.014 0.000 0.796 137 G HN 1.903 nan 8.290 nan 0.000 0.527 138 G N -0.216 108.596 108.800 0.020 0.000 2.143 138 G HA2 -0.255 3.705 3.960 0.000 0.000 0.248 138 G HA3 -0.255 3.705 3.960 0.000 0.000 0.248 138 G C 0.677 175.576 174.900 -0.002 0.000 0.991 138 G CA 0.342 45.459 45.100 0.028 0.000 0.689 138 G HN 0.547 nan 8.290 nan 0.000 0.522 139 L N 0.346 121.550 121.223 -0.032 0.000 3.017 139 L HA 0.471 4.811 4.340 0.000 0.000 0.255 139 L C 1.468 178.307 176.870 -0.051 0.000 1.247 139 L CA 0.317 55.121 54.840 -0.059 0.000 1.038 139 L CB 0.395 42.380 42.059 -0.123 0.000 1.380 139 L HN 0.485 nan 8.230 nan 0.000 0.548 140 S N 0.716 116.397 115.700 -0.031 0.000 3.631 140 S HA -0.203 4.267 4.470 0.000 0.000 0.366 140 S C 1.482 176.045 174.600 -0.062 0.000 0.993 140 S CA 0.527 58.708 58.200 -0.033 0.000 1.167 140 S CB -0.755 62.438 63.200 -0.011 0.000 0.909 140 S HN 0.746 nan 8.310 nan 0.000 0.478 141 S N 0.154 115.806 115.700 -0.080 0.000 2.469 141 S HA -0.136 4.334 4.470 0.000 0.000 0.238 141 S C 1.925 176.421 174.600 -0.173 0.000 0.998 141 S CA 1.221 59.355 58.200 -0.110 0.000 0.957 141 S CB -0.594 62.544 63.200 -0.104 0.000 0.764 141 S HN 1.061 nan 8.310 nan 0.000 0.514 142 S N 3.161 118.746 115.700 -0.192 0.000 2.345 142 S HA 0.128 4.599 4.470 0.000 0.000 0.220 142 S C 2.212 176.706 174.600 -0.177 0.000 1.031 142 S CA 0.677 58.683 58.200 -0.323 0.000 0.996 142 S CB -1.073 62.004 63.200 -0.204 0.000 0.882 142 S HN 0.709 nan 8.310 nan 0.000 0.445 143 A N 1.685 124.466 122.820 -0.065 0.000 1.898 143 A HA -0.010 4.310 4.320 0.000 0.000 0.216 143 A C 2.361 179.934 177.584 -0.018 0.000 1.181 143 A CA 1.794 53.824 52.037 -0.012 0.000 0.620 143 A CB -1.388 17.620 19.000 0.015 0.000 0.819 143 A HN 0.501 nan 8.150 nan 0.000 0.442 144 S N -0.603 115.074 115.700 -0.039 0.000 2.389 144 S HA -0.235 4.235 4.470 0.000 0.000 0.231 144 S C 1.942 176.532 174.600 -0.017 0.000 1.052 144 S CA 1.938 60.120 58.200 -0.030 0.000 1.053 144 S CB -0.538 62.633 63.200 -0.048 0.000 0.886 144 S HN 0.604 nan 8.310 nan 0.000 0.456 145 L N 1.278 122.475 121.223 -0.044 0.000 2.007 145 L HA -0.002 4.338 4.340 0.000 0.000 0.205 145 L C 2.248 179.158 176.870 0.065 0.000 1.073 145 L CA 2.212 57.041 54.840 -0.018 0.000 0.744 145 L CB -0.879 41.121 42.059 -0.099 0.000 0.898 145 L HN 0.319 nan 8.230 nan 0.000 0.435 146 E N -0.510 119.738 120.200 0.079 0.000 2.049 146 E HA -0.261 4.089 4.350 0.000 0.000 0.198 146 E C 2.133 178.841 176.600 0.180 0.000 1.007 146 E CA 1.974 58.474 56.400 0.167 0.000 0.809 146 E CB -0.536 29.263 29.700 0.166 0.000 0.749 146 E HN 0.429 nan 8.360 nan 0.000 0.450 147 V N 1.385 121.368 119.914 0.114 0.000 2.261 147 V HA -0.294 3.826 4.120 0.000 0.000 0.246 147 V C 2.368 178.556 176.094 0.158 0.000 1.047 147 V CA 1.927 64.293 62.300 0.110 0.000 1.015 147 V CB -0.864 30.978 31.823 0.031 0.000 0.642 147 V HN 0.387 nan 8.190 nan 0.000 0.446 148 A N -0.746 122.136 122.820 0.104 0.000 2.032 148 A HA -0.258 4.062 4.320 0.000 0.000 0.221 148 A C 2.344 180.012 177.584 0.140 0.000 1.165 148 A CA 2.614 54.708 52.037 0.096 0.000 0.645 148 A CB -0.843 18.183 19.000 0.045 0.000 0.807 148 A HN 0.545 nan 8.150 nan 0.000 0.453 149 T N -2.092 112.563 114.554 0.168 0.000 2.698 149 T HA -0.084 4.266 4.350 0.000 0.000 0.260 149 T C 1.734 176.583 174.700 0.247 0.000 1.044 149 T CA 1.391 63.606 62.100 0.192 0.000 1.149 149 T CB -0.458 68.546 68.868 0.226 0.000 0.864 149 T HN 0.532 nan 8.240 nan 0.000 0.419 150 Y N 1.985 122.382 120.300 0.162 0.000 2.014 150 Y HA -0.289 4.261 4.550 0.000 0.000 0.272 150 Y C 2.721 178.729 175.900 0.180 0.000 1.164 150 Y CA 2.205 60.423 58.100 0.197 0.000 1.114 150 Y CB -0.906 37.630 38.460 0.127 0.000 0.961 150 Y HN 0.147 nan 8.280 nan 0.000 0.489 151 T N 0.920 115.688 114.554 0.357 0.000 2.760 151 T HA -0.296 4.054 4.350 0.000 0.000 0.269 151 T C 1.458 176.208 174.700 0.084 0.000 1.047 151 T CA 1.635 63.863 62.100 0.213 0.000 1.139 151 T CB -0.802 68.162 68.868 0.160 0.000 0.855 151 T HN 0.467 nan 8.240 nan 0.000 0.471 152 F N 1.864 121.774 119.950 -0.067 0.000 2.051 152 F HA 0.005 4.532 4.527 0.000 0.000 0.296 152 F C 1.830 177.452 175.800 -0.298 0.000 1.122 152 F CA 1.167 59.052 58.000 -0.191 0.000 1.201 152 F CB -0.543 38.305 39.000 -0.254 0.000 0.978 152 F HN 0.045 nan 8.300 nan 0.000 0.472 153 L N 0.107 121.078 121.223 -0.420 0.000 2.549 153 L HA -0.184 4.156 4.340 0.000 0.000 0.230 153 L C 2.091 178.602 176.870 -0.598 0.000 1.162 153 L CA 0.888 55.291 54.840 -0.728 0.000 0.834 153 L CB -0.851 40.700 42.059 -0.846 0.000 0.947 153 L HN 0.381 nan 8.230 nan 0.000 0.452 154 Q N -0.664 118.992 119.800 -0.239 0.000 2.424 154 Q HA -0.069 4.271 4.340 0.000 0.000 0.204 154 Q C 1.774 177.686 176.000 -0.147 0.000 0.933 154 Q CA 0.460 56.238 55.803 -0.041 0.000 0.929 154 Q CB 0.438 29.200 28.738 0.041 0.000 1.037 154 Q HN 0.535 nan 8.270 nan 0.000 0.511 155 Q N -0.513 119.095 119.800 -0.320 0.000 2.349 155 Q HA 0.070 4.410 4.340 0.000 0.000 0.209 155 Q C 2.039 177.811 176.000 -0.381 0.000 0.920 155 Q CA 0.366 55.970 55.803 -0.332 0.000 0.901 155 Q CB 0.274 28.774 28.738 -0.396 0.000 1.021 155 Q HN 0.359 nan 8.270 nan 0.000 0.519 156 L N -0.337 120.556 121.223 -0.549 0.000 2.056 156 L HA -0.010 4.330 4.340 0.000 0.000 0.207 156 L C 1.176 177.867 176.870 -0.299 0.000 1.078 156 L CA 0.790 55.352 54.840 -0.464 0.000 0.749 156 L CB 0.070 41.780 42.059 -0.582 0.000 0.901 156 L HN 0.198 nan 8.230 nan 0.000 0.433 157 C N 0.857 119.982 119.300 -0.293 0.000 3.277 157 C HA 0.353 4.813 4.460 0.000 0.000 0.352 157 C C -2.717 172.273 174.990 0.001 0.000 0.998 157 C CA -1.731 57.201 59.018 -0.144 0.000 1.303 157 C CB 0.399 28.057 27.740 -0.137 0.000 1.698 157 C HN -0.046 nan 8.230 nan 0.000 0.574 158 P HA 0.134 nan 4.420 nan 0.000 0.262 158 P C 0.183 177.533 177.300 0.083 0.000 1.182 158 P CA 0.852 63.984 63.100 0.053 0.000 0.761 158 P CB 0.706 32.407 31.700 0.000 0.000 0.795 159 D N 1.686 122.125 120.400 0.064 0.000 2.425 159 D HA 0.105 4.745 4.640 0.000 0.000 0.274 159 D C 0.686 176.979 176.300 -0.010 0.000 1.242 159 D CA -0.322 53.666 54.000 -0.021 0.000 1.060 159 D CB -0.060 40.632 40.800 -0.180 0.000 1.112 159 D HN 0.319 nan 8.370 nan 0.000 0.561 160 S N -3.307 112.379 115.700 -0.023 0.000 2.684 160 S HA 0.337 4.807 4.470 0.000 0.000 0.268 160 S C 1.025 175.612 174.600 -0.021 0.000 1.075 160 S CA -0.072 58.119 58.200 -0.015 0.000 1.184 160 S CB -0.132 63.062 63.200 -0.010 0.000 1.129 160 S HN 0.705 nan 8.310 nan 0.000 0.630 161 G N 2.252 111.035 108.800 -0.029 0.000 2.535 161 G HA2 0.477 4.437 3.960 0.000 0.000 0.282 161 G HA3 0.477 4.437 3.960 0.000 0.000 0.282 161 G C 0.111 174.985 174.900 -0.043 0.000 1.350 161 G CA 0.069 45.150 45.100 -0.033 0.000 1.039 161 G HN 0.527 nan 8.290 nan 0.000 0.509 162 T N -1.719 112.802 114.554 -0.055 0.000 2.898 162 T HA 0.214 4.564 4.350 0.000 0.000 0.301 162 T C 1.749 176.375 174.700 -0.122 0.000 1.049 162 T CA -0.434 61.620 62.100 -0.076 0.000 1.095 162 T CB 0.876 69.704 68.868 -0.067 0.000 0.976 162 T HN 0.317 nan 8.240 nan 0.000 0.539 163 I N 1.213 121.692 120.570 -0.151 0.000 2.264 163 I HA -0.151 4.019 4.170 0.000 0.000 0.248 163 I C 2.948 178.866 176.117 -0.331 0.000 1.111 163 I CA 1.552 62.712 61.300 -0.232 0.000 1.382 163 I CB -1.097 36.761 38.000 -0.237 0.000 1.060 163 I HN 0.823 nan 8.210 nan 0.000 0.418 164 A N 1.100 123.759 122.820 -0.268 0.000 1.930 164 A HA -0.045 4.275 4.320 0.000 0.000 0.217 164 A C 2.603 180.096 177.584 -0.152 0.000 1.175 164 A CA 1.724 53.624 52.037 -0.227 0.000 0.627 164 A CB -0.645 18.322 19.000 -0.055 0.000 0.815 164 A HN 0.440 nan 8.150 nan 0.000 0.443 165 A N 0.178 122.913 122.820 -0.142 0.000 1.855 165 A HA -0.142 4.178 4.320 0.000 0.000 0.215 165 A C 2.183 179.633 177.584 -0.223 0.000 1.191 165 A CA 1.336 53.297 52.037 -0.127 0.000 0.613 165 A CB -0.574 18.372 19.000 -0.090 0.000 0.829 165 A HN 0.503 nan 8.150 nan 0.000 0.442 166 R N -0.255 120.046 120.500 -0.332 0.000 2.159 166 R HA -0.295 4.045 4.340 0.000 0.000 0.249 166 R C 2.381 178.322 176.300 -0.599 0.000 1.136 166 R CA 1.746 57.409 56.100 -0.728 0.000 0.951 166 R CB -1.078 28.778 30.300 -0.740 0.000 0.876 166 R HN 0.538 nan 8.270 nan 0.000 0.440 167 A N 1.439 124.031 122.820 -0.380 0.000 1.908 167 A HA -0.228 4.092 4.320 0.000 0.000 0.218 167 A C 2.175 179.692 177.584 -0.113 0.000 1.181 167 A CA 1.552 53.462 52.037 -0.210 0.000 0.627 167 A CB -0.466 18.452 19.000 -0.137 0.000 0.818 167 A HN 0.442 nan 8.150 nan 0.000 0.445 168 Q N -0.670 119.068 119.800 -0.103 0.000 2.224 168 Q HA -0.061 4.279 4.340 0.000 0.000 0.203 168 Q C 2.050 177.961 176.000 -0.149 0.000 0.970 168 Q CA 1.234 56.979 55.803 -0.096 0.000 0.865 168 Q CB -0.286 28.407 28.738 -0.074 0.000 0.922 168 Q HN 0.495 nan 8.270 nan 0.000 0.445 169 V N 0.064 119.884 119.914 -0.158 0.000 2.270 169 V HA -0.320 3.800 4.120 0.000 0.000 0.245 169 V C 2.289 178.329 176.094 -0.090 0.000 1.043 169 V CA 1.598 63.835 62.300 -0.104 0.000 1.014 169 V CB -0.445 31.413 31.823 0.057 0.000 0.645 169 V HN 0.534 nan 8.190 nan 0.000 0.447 170 C N -0.643 118.612 119.300 -0.075 0.000 2.413 170 C HA -0.237 4.223 4.460 0.000 0.000 0.276 170 C C 2.791 177.782 174.990 0.003 0.000 1.236 170 C CA 1.567 60.589 59.018 0.006 0.000 1.735 170 C CB -1.128 26.605 27.740 -0.012 0.000 2.031 170 C HN 0.685 nan 8.230 nan 0.000 0.474 171 Q N 0.597 120.373 119.800 -0.041 0.000 2.062 171 Q HA -0.353 3.987 4.340 0.000 0.000 0.209 171 Q C 2.230 178.177 176.000 -0.089 0.000 0.996 171 Q CA 2.402 58.181 55.803 -0.039 0.000 0.859 171 Q CB -0.305 28.374 28.738 -0.099 0.000 0.920 171 Q HN 0.708 nan 8.270 nan 0.000 0.415 172 Q N -0.178 119.473 119.800 -0.247 0.000 2.135 172 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 172 Q C 1.761 177.623 176.000 -0.229 0.000 0.981 172 Q CA 1.894 57.470 55.803 -0.378 0.000 0.856 172 Q CB -0.401 27.847 28.738 -0.817 0.000 0.902 172 Q HN 0.517 nan 8.270 nan 0.000 0.425 173 A N 0.492 123.217 122.820 -0.159 0.000 1.834 173 A HA -0.311 4.009 4.320 0.000 0.000 0.216 173 A C 2.002 179.675 177.584 0.148 0.000 1.203 173 A CA 1.878 53.919 52.037 0.007 0.000 0.621 173 A CB -1.120 17.930 19.000 0.084 0.000 0.841 173 A HN 0.601 nan 8.150 nan 0.000 0.446 174 E N -1.019 119.292 120.200 0.186 0.000 2.086 174 E HA -0.277 4.073 4.350 0.000 0.000 0.200 174 E C 1.886 178.600 176.600 0.190 0.000 1.012 174 E CA 1.861 58.392 56.400 0.218 0.000 0.812 174 E CB -0.278 29.585 29.700 0.272 0.000 0.743 174 E HN 0.812 nan 8.360 nan 0.000 0.453 175 H N -0.805 118.295 119.070 0.050 0.000 2.312 175 H HA -0.069 4.487 4.556 0.000 0.000 0.299 175 H C 2.542 177.936 175.328 0.111 0.000 1.051 175 H CA 1.390 57.468 56.048 0.050 0.000 1.227 175 H CB -0.311 29.467 29.762 0.026 0.000 1.389 175 H HN 0.170 nan 8.280 nan 0.000 0.524 176 S N 0.424 116.337 115.700 0.356 0.000 2.372 176 S HA -0.173 4.297 4.470 0.000 0.000 0.227 176 S C 1.863 176.757 174.600 0.490 0.000 1.044 176 S CA 1.733 60.210 58.200 0.463 0.000 1.050 176 S CB -0.237 63.391 63.200 0.712 0.000 0.901 176 S HN 0.210 nan 8.310 nan 0.000 0.447 177 F N 0.455 120.458 119.950 0.088 0.000 2.343 177 F HA 0.426 4.953 4.527 0.000 0.000 0.286 177 F C 2.434 178.157 175.800 -0.127 0.000 1.057 177 F CA -0.039 57.957 58.000 -0.008 0.000 1.365 177 F CB -1.262 37.752 39.000 0.024 0.000 1.114 177 F HN 0.137 nan 8.300 nan 0.000 0.545 178 A N 0.135 122.955 122.820 -0.000 0.000 2.066 178 A HA 0.395 4.715 4.320 0.000 0.000 0.218 178 A C 1.601 179.116 177.584 -0.116 0.000 1.157 178 A CA 1.024 52.912 52.037 -0.249 0.000 0.670 178 A CB -1.302 17.438 19.000 -0.435 0.000 0.804 178 A HN 0.588 nan 8.150 nan 0.000 0.453 182 C N -0.923 118.308 119.300 -0.115 0.000 2.769 182 C HA 0.896 5.356 4.460 0.000 0.000 0.296 182 C C 1.138 176.422 174.990 0.489 0.000 1.538 182 C CA 0.578 59.720 59.018 0.207 0.000 2.178 182 C CB 0.442 28.256 27.740 0.123 0.000 2.077 182 C HN 0.597 nan 8.230 nan 0.000 0.648 183 G N -0.677 108.370 108.800 0.411 0.000 2.753 183 G HA2 0.602 4.562 3.960 0.000 0.000 0.285 183 G HA3 0.602 4.562 3.960 0.000 0.000 0.285 183 G C -0.131 174.857 174.900 0.146 0.000 1.344 183 G CA -0.903 44.378 45.100 0.303 0.000 1.050 183 G HN 0.830 nan 8.290 nan 0.000 0.532 187 Q N 0.549 120.424 119.800 0.125 0.000 2.137 187 Q HA 0.027 4.367 4.340 0.000 0.000 0.198 187 Q C 1.850 177.919 176.000 0.116 0.000 0.960 187 Q CA 0.787 56.648 55.803 0.097 0.000 0.847 187 Q CB -0.306 28.476 28.738 0.073 0.000 0.915 187 Q HN 0.242 nan 8.270 nan 0.000 0.448 188 F N 1.746 121.673 119.950 -0.039 0.000 2.014 188 F HA -0.194 4.333 4.527 0.000 0.000 0.295 188 F C 2.377 178.158 175.800 -0.032 0.000 1.145 188 F CA 0.927 58.903 58.000 -0.041 0.000 1.178 188 F CB -0.896 38.085 39.000 -0.031 0.000 0.972 188 F HN 0.040 nan 8.300 nan 0.000 0.476 189 I N -0.349 120.368 120.570 0.244 0.000 2.143 189 I HA -0.369 3.801 4.170 0.000 0.000 0.245 189 I C 2.645 178.793 176.117 0.051 0.000 1.068 189 I CA 1.927 63.299 61.300 0.119 0.000 1.326 189 I CB -1.192 36.862 38.000 0.090 0.000 1.028 189 I HN 0.200 nan 8.210 nan 0.000 0.412 190 S N -0.280 115.444 115.700 0.041 0.000 2.387 190 S HA -0.113 4.357 4.470 0.000 0.000 0.230 190 S C 1.228 175.817 174.600 -0.019 0.000 1.035 190 S CA 0.853 59.058 58.200 0.008 0.000 1.014 190 S CB -0.505 62.699 63.200 0.007 0.000 0.836 190 S HN 0.332 nan 8.310 nan 0.000 0.466 194 Q N 0.547 120.356 119.800 0.015 0.000 2.305 194 Q HA 0.472 4.812 4.340 0.000 0.000 0.271 194 Q C 0.090 176.156 176.000 0.111 0.000 1.046 194 Q CA -0.847 54.968 55.803 0.019 0.000 0.798 194 Q CB 2.239 30.929 28.738 -0.081 0.000 1.286 194 Q HN 0.703 nan 8.270 nan 0.000 0.435 195 K N 1.196 121.653 120.400 0.095 0.000 2.620 195 K HA -0.085 4.235 4.320 0.000 0.000 0.278 195 K C 0.727 177.442 176.600 0.191 0.000 0.967 195 K CA 1.569 57.919 56.287 0.104 0.000 1.017 195 K CB 0.011 32.555 32.500 0.073 0.000 0.853 195 K HN 0.885 nan 8.250 nan 0.000 0.504 196 G N 2.183 111.025 108.800 0.070 0.000 2.320 196 G HA2 -0.287 3.673 3.960 0.000 0.000 0.291 196 G HA3 -0.287 3.673 3.960 0.000 0.000 0.291 196 G C -0.579 174.207 174.900 -0.189 0.000 0.994 196 G CA 1.281 46.350 45.100 -0.053 0.000 0.760 196 G HN 0.812 nan 8.290 nan 0.000 0.514 197 H N -0.955 118.112 119.070 -0.004 0.000 2.821 197 H HA 0.720 5.277 4.556 0.000 0.000 0.373 197 H C 0.310 175.639 175.328 0.003 0.000 1.165 197 H CA 0.102 56.150 56.048 0.000 0.000 1.154 197 H CB 1.827 31.592 29.762 0.005 0.000 1.765 197 H HN 0.465 nan 8.280 nan 0.000 0.549 198 A N 1.597 124.492 122.820 0.125 0.000 2.282 198 A HA 0.597 4.917 4.320 0.000 0.000 0.319 198 A C -1.120 176.526 177.584 0.104 0.000 1.121 198 A CA -0.516 51.573 52.037 0.087 0.000 0.836 198 A CB 0.597 19.629 19.000 0.053 0.000 1.146 198 A HN 0.500 nan 8.150 nan 0.000 0.494 199 L N 2.033 123.306 121.223 0.083 0.000 2.417 199 L HA 0.415 4.755 4.340 0.000 0.000 0.259 199 L C -0.862 176.045 176.870 0.061 0.000 1.023 199 L CA -0.446 54.441 54.840 0.078 0.000 0.901 199 L CB 1.100 43.209 42.059 0.083 0.000 1.227 199 L HN 0.657 nan 8.230 nan 0.000 0.454 200 L N 5.858 127.114 121.223 0.056 0.000 2.565 200 L HA 0.314 4.654 4.340 0.000 0.000 0.275 200 L C -0.484 176.393 176.870 0.012 0.000 1.137 200 L CA 0.848 55.708 54.840 0.032 0.000 0.915 200 L CB -0.222 41.857 42.059 0.033 0.000 1.232 200 L HN 0.416 nan 8.230 nan 0.000 0.473 201 I N 4.486 125.044 120.570 -0.020 0.000 2.359 201 I HA 0.222 4.393 4.170 0.000 0.000 0.294 201 I C -0.204 175.851 176.117 -0.103 0.000 0.987 201 I CA -0.577 60.681 61.300 -0.071 0.000 1.225 201 I CB 1.436 39.354 38.000 -0.136 0.000 1.366 201 I HN 0.495 nan 8.210 nan 0.000 0.466 202 D N 6.092 126.430 120.400 -0.103 0.000 2.467 202 D HA 0.167 4.807 4.640 0.000 0.000 0.220 202 D C 0.655 176.869 176.300 -0.143 0.000 1.103 202 D CA -0.423 53.517 54.000 -0.100 0.000 0.886 202 D CB 1.125 41.888 40.800 -0.061 0.000 1.025 202 D HN 0.564 nan 8.370 nan 0.000 0.514 203 C N 3.300 122.502 119.300 -0.163 0.000 2.466 203 C HA 0.017 4.477 4.460 0.000 0.000 0.283 203 C C 2.291 177.205 174.990 -0.128 0.000 1.472 203 C CA 0.048 58.953 59.018 -0.187 0.000 1.765 203 C CB -0.998 26.640 27.740 -0.169 0.000 1.724 203 C HN 0.621 nan 8.230 nan 0.000 0.560 204 R N 1.288 121.730 120.500 -0.096 0.000 2.128 204 R HA -0.039 4.301 4.340 0.000 0.000 0.211 204 R C 1.995 178.264 176.300 -0.052 0.000 1.067 204 R CA 1.647 57.709 56.100 -0.065 0.000 1.010 204 R CB 0.003 30.272 30.300 -0.052 0.000 0.922 204 R HN 0.583 nan 8.270 nan 0.000 0.457 205 S N -0.290 115.379 115.700 -0.052 0.000 2.523 205 S HA 0.212 4.682 4.470 0.000 0.000 0.217 205 S C 0.998 175.586 174.600 -0.021 0.000 0.996 205 S CA -0.264 57.919 58.200 -0.029 0.000 0.921 205 S CB 0.473 63.660 63.200 -0.021 0.000 0.829 205 S HN 0.381 nan 8.310 nan 0.000 0.495 206 L N 0.757 121.943 121.223 -0.062 0.000 4.291 206 L HA -0.190 4.150 4.340 0.000 0.000 0.413 206 L C -0.872 176.024 176.870 0.044 0.000 1.162 206 L CA 0.613 55.420 54.840 -0.054 0.000 0.961 206 L CB -1.543 40.546 42.059 0.051 0.000 2.095 206 L HN 0.536 nan 8.230 nan 0.000 0.838 207 E N 0.921 121.124 120.200 0.006 0.000 2.152 207 E HA 0.345 4.695 4.350 0.000 0.000 0.285 207 E C 0.611 177.227 176.600 0.027 0.000 1.043 207 E CA 0.041 56.458 56.400 0.028 0.000 0.839 207 E CB 0.832 30.538 29.700 0.010 0.000 1.069 207 E HN 0.217 nan 8.360 nan 0.000 0.399 208 T N -0.035 114.558 114.554 0.066 0.000 2.895 208 T HA 0.595 4.945 4.350 0.000 0.000 0.283 208 T C -0.016 174.711 174.700 0.044 0.000 1.014 208 T CA -0.980 61.161 62.100 0.068 0.000 1.037 208 T CB 1.422 70.369 68.868 0.133 0.000 1.006 208 T HN 0.221 nan 8.240 nan 0.000 0.468 209 S N 1.603 117.326 115.700 0.040 0.000 2.547 209 S HA 0.547 5.017 4.470 0.000 0.000 0.281 209 S C -0.663 173.967 174.600 0.050 0.000 1.118 209 S CA -0.924 57.297 58.200 0.035 0.000 0.947 209 S CB 1.048 64.267 63.200 0.031 0.000 1.053 209 S HN 0.665 nan 8.310 nan 0.000 0.482 210 L N 2.391 123.643 121.223 0.048 0.000 2.292 210 L HA 0.545 4.885 4.340 0.000 0.000 0.284 210 L C -0.810 176.171 176.870 0.186 0.000 1.065 210 L CA -0.644 54.251 54.840 0.092 0.000 0.806 210 L CB 1.095 43.133 42.059 -0.035 0.000 1.175 210 L HN 0.405 nan 8.230 nan 0.000 0.431 211 V N 4.724 124.757 119.914 0.198 0.000 2.334 211 V HA 0.294 4.414 4.120 0.000 0.000 0.281 211 V C -2.135 173.995 176.094 0.059 0.000 1.016 211 V CA -1.995 60.386 62.300 0.135 0.000 0.832 211 V CB 1.198 33.071 31.823 0.083 0.000 0.999 211 V HN 0.580 nan 8.190 nan 0.000 0.439 212 P HA 0.019 nan 4.420 nan 0.000 0.261 212 P C -0.054 177.147 177.300 -0.166 0.000 1.183 212 P CA 0.123 63.055 63.100 -0.280 0.000 0.761 212 P CB 0.669 32.265 31.700 -0.173 0.000 0.785 213 L N 2.878 123.973 121.223 -0.214 0.000 3.168 213 L HA 0.269 4.609 4.340 0.000 0.000 0.277 213 L C 0.188 176.981 176.870 -0.128 0.000 1.245 213 L CA 0.225 54.982 54.840 -0.138 0.000 1.035 213 L CB -0.138 41.847 42.059 -0.123 0.000 1.399 213 L HN 0.094 nan 8.230 nan 0.000 0.580 214 S N 0.832 116.456 115.700 -0.127 0.000 2.411 214 S HA 0.498 4.968 4.470 0.000 0.000 0.294 214 S C -0.882 173.695 174.600 -0.038 0.000 1.115 214 S CA -0.213 57.935 58.200 -0.087 0.000 1.071 214 S CB 0.248 63.392 63.200 -0.093 0.000 0.967 214 S HN 0.349 nan 8.310 nan 0.000 0.488 215 D N 4.178 124.559 120.400 -0.033 0.000 2.400 215 D HA 0.243 4.883 4.640 0.000 0.000 0.197 215 D C -2.316 173.972 176.300 -0.021 0.000 1.295 215 D CA -1.074 52.927 54.000 0.002 0.000 0.878 215 D CB 1.424 42.271 40.800 0.077 0.000 1.659 215 D HN 0.138 nan 8.370 nan 0.000 0.546 216 P HA -0.024 nan 4.420 nan 0.000 0.219 216 P C 0.987 178.284 177.300 -0.006 0.000 1.150 216 P CA 0.705 63.799 63.100 -0.010 0.000 0.814 216 P CB 0.352 32.050 31.700 -0.003 0.000 0.787 217 K N -1.039 119.372 120.400 0.018 0.000 2.504 217 K HA -0.002 4.318 4.320 0.000 0.000 0.195 217 K C 0.550 177.164 176.600 0.023 0.000 1.036 217 K CA 0.128 56.436 56.287 0.035 0.000 0.984 217 K CB -0.249 32.298 32.500 0.078 0.000 0.788 217 K HN 0.126 nan 8.250 nan 0.000 0.488 218 L N -0.041 121.160 121.223 -0.037 0.000 2.346 218 L HA 0.478 4.818 4.340 0.000 0.000 0.276 218 L C -1.161 175.643 176.870 -0.110 0.000 1.006 218 L CA -0.379 54.387 54.840 -0.123 0.000 0.817 218 L CB 1.688 43.512 42.059 -0.391 0.000 1.272 218 L HN -0.103 nan 8.230 nan 0.000 0.421 219 A N 4.071 126.834 122.820 -0.095 0.000 2.384 219 A HA 0.859 5.179 4.320 0.000 0.000 0.312 219 A C -1.543 175.999 177.584 -0.070 0.000 1.113 219 A CA -0.602 51.391 52.037 -0.074 0.000 0.779 219 A CB 1.964 20.930 19.000 -0.058 0.000 1.307 219 A HN 0.492 nan 8.150 nan 0.000 0.436 220 V N 2.057 121.944 119.914 -0.045 0.000 2.409 220 V HA 0.366 4.486 4.120 0.000 0.000 0.290 220 V C -1.062 175.041 176.094 0.015 0.000 1.017 220 V CA -0.344 61.942 62.300 -0.024 0.000 0.841 220 V CB 1.148 32.951 31.823 -0.033 0.000 1.003 220 V HN 0.770 nan 8.190 nan 0.000 0.426 221 L N 7.593 128.831 121.223 0.024 0.000 2.265 221 L HA 0.625 4.965 4.340 0.000 0.000 0.289 221 L C -0.451 176.486 176.870 0.110 0.000 1.033 221 L CA 0.331 55.208 54.840 0.062 0.000 0.814 221 L CB 0.812 42.881 42.059 0.017 0.000 1.203 221 L HN 0.502 nan 8.230 nan 0.000 0.423 222 I N 4.536 125.213 120.570 0.179 0.000 2.359 222 I HA 0.377 4.547 4.170 0.000 0.000 0.294 222 I C -0.174 176.108 176.117 0.276 0.000 0.987 222 I CA -0.348 61.070 61.300 0.197 0.000 1.225 222 I CB 1.670 39.790 38.000 0.199 0.000 1.366 222 I HN 0.571 nan 8.210 nan 0.000 0.466 223 T N 4.415 119.074 114.554 0.174 0.000 2.807 223 T HA 0.250 4.600 4.350 0.000 0.000 0.279 223 T C -0.232 174.458 174.700 -0.016 0.000 0.993 223 T CA -0.681 61.471 62.100 0.087 0.000 0.970 223 T CB 1.165 70.064 68.868 0.051 0.000 0.950 223 T HN 0.377 nan 8.240 nan 0.000 0.441 224 N N 1.817 120.470 118.700 -0.078 0.000 2.485 224 N HA 0.122 4.862 4.740 0.000 0.000 0.243 224 N C 1.385 176.808 175.510 -0.145 0.000 0.987 224 N CA -0.345 52.678 53.050 -0.046 0.000 0.940 224 N CB 1.288 39.821 38.487 0.076 0.000 1.122 224 N HN 0.640 nan 8.380 nan 0.000 0.509 225 S N 3.151 118.758 115.700 -0.155 0.000 2.440 225 S HA -0.141 4.329 4.470 0.000 0.000 0.238 225 S C 0.472 175.112 174.600 0.067 0.000 1.010 225 S CA 0.546 58.644 58.200 -0.169 0.000 0.972 225 S CB -0.305 62.820 63.200 -0.124 0.000 0.774 225 S HN 0.704 nan 8.310 nan 0.000 0.501 226 N N 0.401 119.113 118.700 0.020 0.000 2.740 226 N HA -0.117 4.623 4.740 0.000 0.000 0.248 226 N C -0.931 174.603 175.510 0.041 0.000 1.062 226 N CA 0.866 53.938 53.050 0.037 0.000 0.704 226 N CB -1.657 36.856 38.487 0.044 0.000 0.968 226 N HN 0.417 nan 8.380 nan 0.000 0.547 227 V N 0.088 120.002 119.914 -0.000 0.000 3.001 227 V HA 0.615 4.735 4.120 0.000 0.000 0.314 227 V C 0.524 176.521 176.094 -0.161 0.000 1.099 227 V CA -0.655 61.589 62.300 -0.094 0.000 0.989 227 V CB 2.957 34.702 31.823 -0.129 0.000 1.040 227 V HN 0.185 nan 8.190 nan 0.000 0.434 228 R N 1.866 122.207 120.500 -0.265 0.000 2.994 228 R HA 0.246 4.586 4.340 0.000 0.000 0.219 228 R C -0.913 175.342 176.300 -0.076 0.000 1.645 228 R CA -0.416 55.605 56.100 -0.132 0.000 1.362 228 R CB 0.211 30.500 30.300 -0.019 0.000 1.572 228 R HN 0.894 nan 8.270 nan 0.000 0.659 233 S N 0.312 115.935 115.700 -0.129 0.000 2.481 233 S HA -0.246 4.224 4.470 0.000 0.000 0.253 233 S C 1.720 176.323 174.600 0.004 0.000 0.998 233 S CA 2.147 60.348 58.200 0.002 0.000 0.972 233 S CB -0.864 62.343 63.200 0.011 0.000 0.751 233 S HN 1.221 nan 8.310 nan 0.000 0.515 234 S N 1.438 117.103 115.700 -0.058 0.000 2.428 234 S HA 0.015 4.485 4.470 0.000 0.000 0.230 234 S C 1.683 176.269 174.600 -0.024 0.000 1.014 234 S CA 0.593 58.768 58.200 -0.041 0.000 0.957 234 S CB -0.288 62.872 63.200 -0.066 0.000 0.784 234 S HN 0.445 nan 8.310 nan 0.000 0.499 235 E N 1.443 121.601 120.200 -0.070 0.000 2.017 235 E HA -0.105 4.245 4.350 0.000 0.000 0.193 235 E C 1.575 178.237 176.600 0.103 0.000 0.997 235 E CA 1.105 57.490 56.400 -0.026 0.000 0.804 235 E CB -0.871 28.738 29.700 -0.151 0.000 0.757 235 E HN 0.652 nan 8.360 nan 0.000 0.448 236 Y N 2.051 122.398 120.300 0.078 0.000 1.929 236 Y HA -0.299 4.251 4.550 0.000 0.000 0.247 236 Y C -0.699 175.199 175.900 -0.004 0.000 1.176 236 Y CA 3.395 61.564 58.100 0.115 0.000 1.075 236 Y CB -1.365 37.169 38.460 0.123 0.000 0.907 236 Y HN 0.147 nan 8.280 nan 0.000 0.499 237 P HA -0.223 nan 4.420 nan 0.000 0.216 237 P C 1.809 179.109 177.300 -0.001 0.000 1.154 237 P CA 2.540 65.695 63.100 0.091 0.000 0.865 237 P CB -0.359 31.369 31.700 0.047 0.000 0.789 238 V N 0.549 120.467 119.914 0.007 0.000 2.287 238 V HA -0.255 3.865 4.120 0.000 0.000 0.248 238 V C 2.712 178.774 176.094 -0.054 0.000 1.053 238 V CA 1.887 64.173 62.300 -0.024 0.000 1.027 238 V CB -1.120 30.689 31.823 -0.024 0.000 0.646 238 V HN 0.065 nan 8.190 nan 0.000 0.447 239 R N -0.123 120.325 120.500 -0.086 0.000 2.075 239 R HA -0.103 4.237 4.340 0.000 0.000 0.232 239 R C 2.399 178.707 176.300 0.013 0.000 1.126 239 R CA 1.390 57.419 56.100 -0.118 0.000 0.963 239 R CB -0.672 29.514 30.300 -0.190 0.000 0.858 239 R HN 0.477 nan 8.270 nan 0.000 0.435 240 R N 0.910 121.348 120.500 -0.103 0.000 2.115 240 R HA -0.182 4.158 4.340 0.000 0.000 0.239 240 R C 2.416 178.734 176.300 0.031 0.000 1.133 240 R CA 1.946 57.972 56.100 -0.124 0.000 0.935 240 R CB -0.186 29.881 30.300 -0.388 0.000 0.853 240 R HN 0.113 nan 8.270 nan 0.000 0.433 241 R N 0.155 120.651 120.500 -0.007 0.000 2.136 241 R HA -0.271 4.069 4.340 0.000 0.000 0.242 241 R C 2.513 178.831 176.300 0.030 0.000 1.131 241 R CA 2.546 58.655 56.100 0.014 0.000 0.937 241 R CB -0.356 29.944 30.300 -0.001 0.000 0.863 241 R HN 0.403 nan 8.270 nan 0.000 0.435 242 Q N -0.484 119.325 119.800 0.015 0.000 2.012 242 Q HA -0.295 4.045 4.340 0.000 0.000 0.211 242 Q C 2.396 178.424 176.000 0.046 0.000 1.009 242 Q CA 2.437 58.247 55.803 0.013 0.000 0.866 242 Q CB -0.418 28.300 28.738 -0.033 0.000 0.945 242 Q HN 0.476 nan 8.270 nan 0.000 0.414 243 C N 0.736 120.092 119.300 0.093 0.000 2.328 243 C HA -0.234 4.226 4.460 0.000 0.000 0.276 243 C C 2.342 177.382 174.990 0.084 0.000 1.173 243 C CA 1.410 60.498 59.018 0.117 0.000 1.774 243 C CB -1.291 26.582 27.740 0.221 0.000 2.009 243 C HN 0.602 nan 8.230 nan 0.000 0.436 244 E N 0.714 120.974 120.200 0.099 0.000 2.086 244 E HA -0.302 4.048 4.350 0.000 0.000 0.205 244 E C 1.901 178.530 176.600 0.048 0.000 1.027 244 E CA 2.045 58.490 56.400 0.074 0.000 0.830 244 E CB -0.456 29.290 29.700 0.077 0.000 0.751 244 E HN 0.737 nan 8.360 nan 0.000 0.456 245 E N 0.755 120.979 120.200 0.041 0.000 2.049 245 E HA -0.210 4.140 4.350 0.000 0.000 0.198 245 E C 2.349 178.966 176.600 0.028 0.000 1.007 245 E CA 1.640 58.058 56.400 0.031 0.000 0.809 245 E CB -0.364 29.352 29.700 0.027 0.000 0.749 245 E HN 0.066 nan 8.360 nan 0.000 0.450 246 V N 1.923 121.854 119.914 0.027 0.000 2.215 246 V HA -0.372 3.748 4.120 0.000 0.000 0.249 246 V C 2.514 178.615 176.094 0.012 0.000 1.054 246 V CA 2.200 64.510 62.300 0.016 0.000 1.012 246 V CB -1.105 30.714 31.823 -0.006 0.000 0.639 246 V HN 0.438 nan 8.190 nan 0.000 0.448 247 A N -0.408 122.419 122.820 0.012 0.000 1.985 247 A HA -0.390 3.930 4.320 0.000 0.000 0.223 247 A C 2.334 179.927 177.584 0.014 0.000 1.189 247 A CA 2.811 54.854 52.037 0.010 0.000 0.658 247 A CB -0.717 18.294 19.000 0.019 0.000 0.820 247 A HN 0.557 nan 8.150 nan 0.000 0.464 248 R N -0.617 119.896 120.500 0.021 0.000 2.070 248 R HA -0.057 4.283 4.340 0.000 0.000 0.233 248 R C 2.268 178.579 176.300 0.019 0.000 1.137 248 R CA 1.516 57.628 56.100 0.021 0.000 0.945 248 R CB -0.515 29.799 30.300 0.023 0.000 0.845 248 R HN 0.445 nan 8.270 nan 0.000 0.430 249 A N -0.048 122.784 122.820 0.021 0.000 2.186 249 A HA -0.095 4.225 4.320 0.000 0.000 0.219 249 A C 1.280 178.877 177.584 0.022 0.000 1.159 249 A CA 1.147 53.199 52.037 0.024 0.000 0.680 249 A CB -0.123 18.896 19.000 0.031 0.000 0.787 249 A HN 0.289 nan 8.150 nan 0.000 0.467 250 L N -2.006 119.226 121.223 0.016 0.000 2.906 250 L HA 0.389 4.729 4.340 0.000 0.000 0.255 250 L C 1.427 178.303 176.870 0.010 0.000 1.166 250 L CA 0.726 55.574 54.840 0.013 0.000 0.977 250 L CB -0.159 41.904 42.059 0.006 0.000 1.313 250 L HN 0.428 nan 8.230 nan 0.000 0.549 251 G N -0.001 108.805 108.800 0.011 0.000 2.160 251 G HA2 -0.324 3.636 3.960 0.000 0.000 0.251 251 G HA3 -0.324 3.636 3.960 0.000 0.000 0.251 251 G C 0.407 175.311 174.900 0.007 0.000 1.008 251 G CA 0.411 45.517 45.100 0.009 0.000 0.724 251 G HN 0.326 nan 8.290 nan 0.000 0.514 252 K N -0.738 119.665 120.400 0.006 0.000 2.166 252 K HA 0.612 4.933 4.320 0.000 0.000 0.245 252 K C 1.166 177.770 176.600 0.006 0.000 0.967 252 K CA -0.392 55.897 56.287 0.003 0.000 0.863 252 K CB 1.347 33.845 32.500 -0.004 0.000 1.107 252 K HN 0.106 nan 8.250 nan 0.000 0.436 253 E N 0.026 120.229 120.200 0.004 0.000 2.072 253 E HA -0.074 4.276 4.350 0.000 0.000 0.190 253 E C -0.286 176.320 176.600 0.011 0.000 0.982 253 E CA 0.749 57.154 56.400 0.008 0.000 0.803 253 E CB 0.345 30.047 29.700 0.003 0.000 0.755 253 E HN 0.552 nan 8.360 nan 0.000 0.453 254 S N -2.288 113.413 115.700 0.002 0.000 2.615 254 S HA 0.217 4.687 4.470 0.000 0.000 0.269 254 S C 0.428 175.019 174.600 -0.014 0.000 1.161 254 S CA -0.884 57.317 58.200 0.002 0.000 0.817 254 S CB 0.464 63.663 63.200 -0.001 0.000 1.131 254 S HN 0.115 nan 8.310 nan 0.000 0.467 255 L N 0.503 121.715 121.223 -0.019 0.000 2.362 255 L HA 0.073 4.413 4.340 0.000 0.000 0.219 255 L C 2.727 179.562 176.870 -0.059 0.000 1.134 255 L CA 1.063 55.878 54.840 -0.042 0.000 0.807 255 L CB -0.488 41.542 42.059 -0.048 0.000 0.927 255 L HN 0.833 nan 8.230 nan 0.000 0.447 256 R N 0.950 121.417 120.500 -0.055 0.000 2.159 256 R HA -0.201 4.139 4.340 0.000 0.000 0.237 256 R C 1.612 177.881 176.300 -0.051 0.000 1.131 256 R CA 1.338 57.400 56.100 -0.063 0.000 0.982 256 R CB 0.015 30.280 30.300 -0.059 0.000 0.868 256 R HN 0.246 nan 8.270 nan 0.000 0.453 257 E N -0.812 119.365 120.200 -0.039 0.000 2.489 257 E HA 0.079 4.429 4.350 0.000 0.000 0.193 257 E C -0.682 175.898 176.600 -0.033 0.000 1.057 257 E CA -0.023 56.358 56.400 -0.032 0.000 0.866 257 E CB 0.708 30.396 29.700 -0.021 0.000 0.916 257 E HN 0.047 nan 8.360 nan 0.000 0.500 258 V N 0.915 120.803 119.914 -0.044 0.000 2.732 258 V HA 0.317 4.437 4.120 0.000 0.000 0.310 258 V C -0.145 175.916 176.094 -0.055 0.000 1.053 258 V CA -0.871 61.401 62.300 -0.047 0.000 0.957 258 V CB 1.885 33.672 31.823 -0.059 0.000 1.018 258 V HN 0.016 nan 8.190 nan 0.000 0.452 259 Q N 1.291 121.063 119.800 -0.047 0.000 2.365 259 Q HA 0.400 4.740 4.340 0.000 0.000 0.269 259 Q C 0.513 176.485 176.000 -0.047 0.000 1.061 259 Q CA -0.917 54.857 55.803 -0.048 0.000 0.816 259 Q CB 2.288 31.004 28.738 -0.037 0.000 1.325 259 Q HN 0.576 nan 8.270 nan 0.000 0.446 260 L N 2.106 123.297 121.223 -0.054 0.000 2.085 260 L HA -0.334 4.006 4.340 0.000 0.000 0.218 260 L C 1.445 178.305 176.870 -0.016 0.000 1.080 260 L CA 2.248 57.059 54.840 -0.047 0.000 0.776 260 L CB -0.180 41.851 42.059 -0.046 0.000 0.891 260 L HN 0.691 nan 8.230 nan 0.000 0.437 261 E N -0.257 119.937 120.200 -0.010 0.000 2.028 261 E HA -0.185 4.165 4.350 0.000 0.000 0.191 261 E C 2.076 178.687 176.600 0.017 0.000 0.988 261 E CA 1.492 57.897 56.400 0.007 0.000 0.799 261 E CB -0.448 29.253 29.700 0.002 0.000 0.755 261 E HN 0.583 nan 8.360 nan 0.000 0.447 262 E N 0.365 120.566 120.200 0.003 0.000 2.147 262 E HA -0.238 4.112 4.350 0.000 0.000 0.199 262 E C 1.926 178.540 176.600 0.024 0.000 1.005 262 E CA 0.858 57.263 56.400 0.007 0.000 0.810 262 E CB -0.259 29.436 29.700 -0.009 0.000 0.736 262 E HN 0.052 nan 8.360 nan 0.000 0.460 263 L N 1.433 122.661 121.223 0.009 0.000 2.064 263 L HA -0.281 4.059 4.340 0.000 0.000 0.216 263 L C 2.239 179.219 176.870 0.182 0.000 1.077 263 L CA 1.766 56.610 54.840 0.007 0.000 0.766 263 L CB -0.358 41.634 42.059 -0.111 0.000 0.890 263 L HN 0.089 nan 8.230 nan 0.000 0.435 264 E N -0.687 119.636 120.200 0.205 0.000 2.130 264 E HA -0.260 4.090 4.350 0.000 0.000 0.196 264 E C 2.224 178.930 176.600 0.176 0.000 0.998 264 E CA 1.188 57.727 56.400 0.232 0.000 0.806 264 E CB -0.325 29.445 29.700 0.117 0.000 0.738 264 E HN 0.572 nan 8.360 nan 0.000 0.459 265 A N 1.117 124.007 122.820 0.117 0.000 1.954 265 A HA -0.261 4.059 4.320 0.000 0.000 0.222 265 A C 2.274 179.917 177.584 0.099 0.000 1.199 265 A CA 2.562 54.648 52.037 0.081 0.000 0.657 265 A CB -0.586 18.446 19.000 0.054 0.000 0.823 265 A HN 0.289 nan 8.150 nan 0.000 0.463 266 A N -1.884 121.028 122.820 0.154 0.000 2.251 266 A HA 0.259 4.579 4.320 0.000 0.000 0.209 266 A C 1.817 179.550 177.584 0.248 0.000 1.187 266 A CA 1.022 53.160 52.037 0.170 0.000 0.823 266 A CB -0.340 18.738 19.000 0.130 0.000 0.846 266 A HN 0.410 nan 8.150 nan 0.000 0.486 267 R N 0.972 121.620 120.500 0.246 0.000 2.119 267 R HA -0.169 4.171 4.340 0.000 0.000 0.246 267 R C 0.962 177.271 176.300 0.015 0.000 1.146 267 R CA 2.299 58.423 56.100 0.039 0.000 0.962 267 R CB -0.249 29.984 30.300 -0.112 0.000 0.863 267 R HN 0.505 nan 8.270 nan 0.000 0.442 268 D N -0.930 119.490 120.400 0.033 0.000 2.305 268 D HA 0.006 4.646 4.640 0.000 0.000 0.206 268 D C 1.643 177.965 176.300 0.036 0.000 0.974 268 D CA 0.498 54.509 54.000 0.019 0.000 0.871 268 D CB 0.225 41.029 40.800 0.007 0.000 0.947 268 D HN 0.260 nan 8.370 nan 0.000 0.516 269 L N 0.700 121.959 121.223 0.060 0.000 2.240 269 L HA 0.036 4.376 4.340 0.000 0.000 0.211 269 L C 1.161 178.068 176.870 0.062 0.000 1.106 269 L CA 0.491 55.364 54.840 0.055 0.000 0.793 269 L CB 0.112 42.206 42.059 0.057 0.000 0.927 269 L HN -0.080 nan 8.230 nan 0.000 0.446 270 V N -4.688 115.281 119.914 0.093 0.000 3.126 270 V HA 0.553 4.673 4.120 0.000 0.000 0.314 270 V C 0.233 176.384 176.094 0.096 0.000 1.138 270 V CA -0.999 61.358 62.300 0.095 0.000 1.034 270 V CB 1.602 33.496 31.823 0.119 0.000 1.075 270 V HN 0.092 nan 8.190 nan 0.000 0.442 271 S N 0.978 116.726 115.700 0.079 0.000 2.580 271 S HA 0.256 4.726 4.470 0.000 0.000 0.266 271 S C 0.675 175.335 174.600 0.101 0.000 1.354 271 S CA -0.164 58.075 58.200 0.064 0.000 1.008 271 S CB 0.581 63.807 63.200 0.044 0.000 0.898 271 S HN 0.836 nan 8.310 nan 0.000 0.555 272 K N 1.288 121.726 120.400 0.063 0.000 1.973 272 K HA -0.093 4.227 4.320 0.000 0.000 0.210 272 K C 2.244 178.911 176.600 0.112 0.000 1.045 272 K CA 1.463 57.791 56.287 0.068 0.000 0.937 272 K CB -0.336 32.172 32.500 0.014 0.000 0.721 272 K HN 0.725 nan 8.250 nan 0.000 0.438 273 E N -0.266 119.968 120.200 0.058 0.000 2.068 273 E HA -0.247 4.103 4.350 0.000 0.000 0.207 273 E C 2.093 178.721 176.600 0.046 0.000 1.032 273 E CA 1.630 58.050 56.400 0.033 0.000 0.839 273 E CB -0.373 29.325 29.700 -0.004 0.000 0.758 273 E HN 0.477 nan 8.360 nan 0.000 0.457 274 G N 0.042 108.874 108.800 0.053 0.000 2.469 274 G HA2 -0.299 3.661 3.960 0.000 0.000 0.220 274 G HA3 -0.299 3.661 3.960 0.000 0.000 0.220 274 G C 1.347 176.294 174.900 0.080 0.000 1.136 274 G CA 0.756 45.885 45.100 0.049 0.000 0.759 274 G HN 0.316 nan 8.290 nan 0.000 0.562 275 F N 1.180 121.134 119.950 0.006 0.000 2.102 275 F HA 0.021 4.548 4.527 0.000 0.000 0.298 275 F C 2.910 178.726 175.800 0.028 0.000 1.105 275 F CA 1.602 59.611 58.000 0.016 0.000 1.239 275 F CB -0.090 38.915 39.000 0.009 0.000 0.991 275 F HN -0.012 nan 8.300 nan 0.000 0.474 276 R N -0.195 120.450 120.500 0.243 0.000 2.103 276 R HA -0.215 4.125 4.340 0.000 0.000 0.234 276 R C 2.235 178.590 176.300 0.091 0.000 1.132 276 R CA 1.818 58.010 56.100 0.153 0.000 0.925 276 R CB -0.449 29.919 30.300 0.115 0.000 0.842 276 R HN 0.079 nan 8.270 nan 0.000 0.430 277 R N 0.450 120.978 120.500 0.047 0.000 2.133 277 R HA -0.205 4.135 4.340 0.000 0.000 0.245 277 R C 2.189 178.631 176.300 0.236 0.000 1.137 277 R CA 2.005 58.187 56.100 0.138 0.000 0.947 277 R CB -1.353 28.923 30.300 -0.040 0.000 0.865 277 R HN 0.398 nan 8.270 nan 0.000 0.437 278 A N 0.383 123.227 122.820 0.039 0.000 1.927 278 A HA -0.253 4.067 4.320 0.000 0.000 0.220 278 A C 2.271 179.778 177.584 -0.129 0.000 1.185 278 A CA 2.025 54.015 52.037 -0.079 0.000 0.639 278 A CB -0.557 18.299 19.000 -0.239 0.000 0.820 278 A HN 0.325 nan 8.150 nan 0.000 0.451 279 R N -1.783 118.623 120.500 -0.156 0.000 2.096 279 R HA -0.183 4.157 4.340 0.000 0.000 0.235 279 R C 2.201 178.481 176.300 -0.033 0.000 1.127 279 R CA 1.774 57.802 56.100 -0.121 0.000 0.968 279 R CB -0.380 29.898 30.300 -0.036 0.000 0.861 279 R HN 0.845 nan 8.270 nan 0.000 0.440 280 H N -0.221 118.839 119.070 -0.016 0.000 2.299 280 H HA -0.070 4.486 4.556 0.000 0.000 0.302 280 H C 1.829 177.085 175.328 -0.120 0.000 1.078 280 H CA 2.149 58.172 56.048 -0.040 0.000 1.323 280 H CB -0.325 29.447 29.762 0.016 0.000 1.381 280 H HN -0.038 nan 8.280 nan 0.000 0.498 281 V N 0.108 119.896 119.914 -0.210 0.000 2.231 281 V HA -0.303 3.817 4.120 0.000 0.000 0.248 281 V C 2.688 178.599 176.094 -0.305 0.000 1.054 281 V CA 1.855 63.967 62.300 -0.313 0.000 1.015 281 V CB -0.837 30.913 31.823 -0.122 0.000 0.638 281 V HN 0.385 nan 8.190 nan 0.000 0.444 282 V N 0.603 120.393 119.914 -0.206 0.000 2.332 282 V HA -0.213 3.907 4.120 0.000 0.000 0.248 282 V C 2.543 178.524 176.094 -0.188 0.000 1.055 282 V CA 2.245 64.440 62.300 -0.175 0.000 1.038 282 V CB -1.400 30.336 31.823 -0.144 0.000 0.651 282 V HN 0.641 nan 8.190 nan 0.000 0.450 283 G N -0.532 108.143 108.800 -0.208 0.000 2.484 283 G HA2 -0.330 3.630 3.960 0.000 0.000 0.215 283 G HA3 -0.330 3.630 3.960 0.000 0.000 0.215 283 G C 1.417 176.165 174.900 -0.252 0.000 1.219 283 G CA 1.003 45.987 45.100 -0.192 0.000 0.791 283 G HN 0.491 nan 8.290 nan 0.000 0.550 284 E N 0.412 120.356 120.200 -0.426 0.000 2.208 284 E HA -0.177 4.173 4.350 0.000 0.000 0.202 284 E C 2.384 178.813 176.600 -0.285 0.000 1.014 284 E CA 1.077 57.211 56.400 -0.444 0.000 0.819 284 E CB -0.306 28.904 29.700 -0.817 0.000 0.735 284 E HN 0.601 nan 8.360 nan 0.000 0.469 285 I N -0.754 119.662 120.570 -0.257 0.000 2.233 285 I HA -0.187 3.983 4.170 0.000 0.000 0.243 285 I C 2.666 178.695 176.117 -0.146 0.000 1.093 285 I CA 1.028 62.216 61.300 -0.186 0.000 1.380 285 I CB -0.326 37.574 38.000 -0.167 0.000 1.067 285 I HN 0.073 nan 8.210 nan 0.000 0.413 286 R N 1.203 121.621 120.500 -0.137 0.000 2.091 286 R HA -0.165 4.175 4.340 0.000 0.000 0.238 286 R C 2.507 178.739 176.300 -0.113 0.000 1.136 286 R CA 1.476 57.511 56.100 -0.108 0.000 0.959 286 R CB -0.110 30.134 30.300 -0.093 0.000 0.856 286 R HN 0.232 nan 8.270 nan 0.000 0.437 287 R N -0.821 119.598 120.500 -0.135 0.000 2.103 287 R HA -0.117 4.224 4.340 0.000 0.000 0.242 287 R C 2.142 178.340 176.300 -0.170 0.000 1.142 287 R CA 2.177 58.188 56.100 -0.148 0.000 0.960 287 R CB -0.331 29.875 30.300 -0.156 0.000 0.858 287 R HN 0.323 nan 8.270 nan 0.000 0.439 288 T N 0.360 114.820 114.554 -0.157 0.000 2.857 288 T HA -0.032 4.318 4.350 0.000 0.000 0.266 288 T C 1.905 176.543 174.700 -0.103 0.000 1.048 288 T CA 1.116 63.131 62.100 -0.141 0.000 1.139 288 T CB -0.123 68.672 68.868 -0.121 0.000 0.874 288 T HN 0.341 nan 8.240 nan 0.000 0.455 289 A N 1.675 124.440 122.820 -0.092 0.000 1.898 289 A HA -0.142 4.178 4.320 0.000 0.000 0.216 289 A C 2.321 179.872 177.584 -0.055 0.000 1.181 289 A CA 1.312 53.312 52.037 -0.063 0.000 0.620 289 A CB -0.593 18.371 19.000 -0.060 0.000 0.819 289 A HN 0.527 nan 8.150 nan 0.000 0.442 290 Q N -0.623 119.131 119.800 -0.077 0.000 2.050 290 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 290 Q C 2.397 178.347 176.000 -0.083 0.000 0.980 290 Q CA 1.363 57.123 55.803 -0.072 0.000 0.840 290 Q CB -0.390 28.297 28.738 -0.085 0.000 0.898 290 Q HN 0.666 nan 8.270 nan 0.000 0.424 291 A N 1.093 123.814 122.820 -0.163 0.000 2.019 291 A HA -0.078 4.242 4.320 0.000 0.000 0.219 291 A C 2.263 179.863 177.584 0.028 0.000 1.164 291 A CA 1.423 53.292 52.037 -0.279 0.000 0.644 291 A CB -0.592 17.995 19.000 -0.689 0.000 0.805 291 A HN 0.390 nan 8.150 nan 0.000 0.449 292 A N -0.084 122.759 122.820 0.039 0.000 1.898 292 A HA 0.196 4.516 4.320 0.000 0.000 0.216 292 A C 2.468 180.110 177.584 0.098 0.000 1.181 292 A CA 1.848 53.950 52.037 0.109 0.000 0.620 292 A CB -0.895 18.136 19.000 0.052 0.000 0.819 292 A HN 0.999 nan 8.150 nan 0.000 0.442 293 A N -0.167 122.682 122.820 0.048 0.000 1.930 293 A HA 0.202 4.522 4.320 0.000 0.000 0.217 293 A C 2.465 180.078 177.584 0.048 0.000 1.175 293 A CA 1.915 53.971 52.037 0.033 0.000 0.627 293 A CB -0.887 18.116 19.000 0.005 0.000 0.815 293 A HN 0.971 nan 8.150 nan 0.000 0.443 294 A N -0.480 122.391 122.820 0.084 0.000 1.873 294 A HA -0.001 4.319 4.320 0.000 0.000 0.215 294 A C 2.091 179.751 177.584 0.126 0.000 1.186 294 A CA 1.658 53.760 52.037 0.108 0.000 0.616 294 A CB -0.669 18.423 19.000 0.152 0.000 0.823 294 A HN 0.505 nan 8.150 nan 0.000 0.442 295 L N 0.321 121.696 121.223 0.253 0.000 1.956 295 L HA -0.224 4.116 4.340 0.000 0.000 0.216 295 L C 2.634 179.526 176.870 0.037 0.000 1.073 295 L CA 2.294 57.216 54.840 0.138 0.000 0.762 295 L CB -0.698 41.447 42.059 0.143 0.000 0.889 295 L HN 0.409 nan 8.230 nan 0.000 0.433 296 R N -1.039 119.488 120.500 0.045 0.000 2.133 296 R HA -0.213 4.127 4.340 0.000 0.000 0.247 296 R C 2.342 178.624 176.300 -0.030 0.000 1.151 296 R CA 1.642 57.748 56.100 0.011 0.000 0.971 296 R CB -0.582 29.731 30.300 0.021 0.000 0.866 296 R HN 0.402 nan 8.270 nan 0.000 0.447 297 R N -0.285 120.188 120.500 -0.044 0.000 2.189 297 R HA -0.047 4.293 4.340 0.000 0.000 0.218 297 R C 1.073 177.271 176.300 -0.171 0.000 1.074 297 R CA 0.846 56.896 56.100 -0.083 0.000 0.991 297 R CB 0.121 30.381 30.300 -0.066 0.000 0.883 297 R HN 0.530 nan 8.270 nan 0.000 0.457 298 G N 1.109 109.750 108.800 -0.265 0.000 2.143 298 G HA2 -0.243 3.717 3.960 0.000 0.000 0.249 298 G HA3 -0.243 3.717 3.960 0.000 0.000 0.249 298 G C -0.152 174.240 174.900 -0.847 0.000 0.981 298 G CA 0.314 45.046 45.100 -0.614 0.000 0.665 298 G HN 0.363 nan 8.290 nan 0.000 0.528 299 D N 0.155 120.294 120.400 -0.435 0.000 2.688 299 D HA 0.333 4.973 4.640 0.000 0.000 0.228 299 D C 1.526 177.720 176.300 -0.178 0.000 1.116 299 D CA -0.620 53.217 54.000 -0.273 0.000 1.023 299 D CB -0.704 40.032 40.800 -0.106 0.000 1.100 299 D HN 0.566 nan 8.370 nan 0.000 0.487 300 Y N 0.312 120.442 120.300 -0.283 0.000 2.315 300 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 300 Y C 2.426 178.082 175.900 -0.406 0.000 1.154 300 Y CA 0.424 58.216 58.100 -0.514 0.000 1.229 300 Y CB 0.115 37.907 38.460 -1.113 0.000 0.980 300 Y HN 0.149 nan 8.280 nan 0.000 0.540 301 R N 0.252 120.675 120.500 -0.128 0.000 2.070 301 R HA -0.146 4.194 4.340 0.000 0.000 0.233 301 R C 2.643 178.999 176.300 0.093 0.000 1.137 301 R CA 1.146 57.275 56.100 0.048 0.000 0.945 301 R CB -0.620 29.727 30.300 0.078 0.000 0.845 301 R HN 0.308 nan 8.270 nan 0.000 0.430 302 A N 0.496 123.353 122.820 0.062 0.000 1.972 302 A HA -0.177 4.143 4.320 0.000 0.000 0.219 302 A C 1.941 179.568 177.584 0.072 0.000 1.169 302 A CA 1.007 53.075 52.037 0.051 0.000 0.635 302 A CB -0.575 18.439 19.000 0.025 0.000 0.810 302 A HN 0.347 nan 8.150 nan 0.000 0.446 303 F N 0.655 120.600 119.950 -0.009 0.000 2.113 303 F HA 0.009 4.536 4.527 0.000 0.000 0.297 303 F C 2.407 178.229 175.800 0.037 0.000 1.103 303 F CA 1.534 59.542 58.000 0.012 0.000 1.248 303 F CB -0.415 38.601 39.000 0.026 0.000 0.999 303 F HN 0.259 nan 8.300 nan 0.000 0.475 304 G N -0.219 108.795 108.800 0.357 0.000 2.422 304 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 304 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 304 G C 1.763 176.752 174.900 0.147 0.000 1.146 304 G CA 0.564 45.843 45.100 0.298 0.000 0.769 304 G HN 0.246 nan 8.290 nan 0.000 0.547 305 R N -0.544 120.021 120.500 0.108 0.000 2.083 305 R HA 0.062 4.402 4.340 0.000 0.000 0.237 305 R C 1.296 177.600 176.300 0.007 0.000 1.137 305 R CA 0.231 56.364 56.100 0.056 0.000 0.951 305 R CB -0.445 29.881 30.300 0.043 0.000 0.851 305 R HN 0.282 nan 8.270 nan 0.000 0.434 309 E N 0.740 120.966 120.200 0.042 0.000 2.110 309 E HA -0.202 4.148 4.350 0.000 0.000 0.193 309 E C 2.138 178.761 176.600 0.039 0.000 0.988 309 E CA 1.655 58.073 56.400 0.029 0.000 0.804 309 E CB -0.085 29.613 29.700 -0.003 0.000 0.745 309 E HN 0.510 nan 8.360 nan 0.000 0.458 310 S N 0.194 115.915 115.700 0.035 0.000 2.359 310 S HA -0.290 4.180 4.470 0.000 0.000 0.223 310 S C 2.028 176.675 174.600 0.078 0.000 1.039 310 S CA 1.915 60.151 58.200 0.061 0.000 1.042 310 S CB -0.303 62.923 63.200 0.044 0.000 0.915 310 S HN 0.431 nan 8.310 nan 0.000 0.439 311 H N 1.433 120.520 119.070 0.029 0.000 2.387 311 H HA -0.043 4.513 4.556 0.000 0.000 0.299 311 H C 2.163 177.499 175.328 0.013 0.000 1.090 311 H CA 2.192 58.251 56.048 0.018 0.000 1.332 311 H CB -0.217 29.555 29.762 0.016 0.000 1.386 311 H HN 0.556 nan 8.280 nan 0.000 0.516 312 R N -0.748 119.709 120.500 -0.070 0.000 2.193 312 R HA 0.026 4.366 4.340 0.000 0.000 0.213 312 R C 2.337 178.578 176.300 -0.098 0.000 1.055 312 R CA 1.230 57.264 56.100 -0.109 0.000 0.995 312 R CB -0.448 29.866 30.300 0.023 0.000 0.893 312 R HN 0.166 nan 8.270 nan 0.000 0.459 313 S N 0.501 116.185 115.700 -0.026 0.000 2.383 313 S HA 0.013 4.483 4.470 0.000 0.000 0.227 313 S C 1.829 176.383 174.600 -0.077 0.000 1.026 313 S CA 0.799 59.036 58.200 0.062 0.000 0.981 313 S CB -0.176 63.195 63.200 0.285 0.000 0.818 313 S HN 0.425 nan 8.310 nan 0.000 0.472 314 L N 0.823 121.908 121.223 -0.230 0.000 2.017 314 L HA -0.078 4.262 4.340 0.000 0.000 0.208 314 L C 2.976 179.659 176.870 -0.311 0.000 1.073 314 L CA 1.599 56.203 54.840 -0.394 0.000 0.745 314 L CB -0.496 41.365 42.059 -0.329 0.000 0.894 314 L HN 0.331 nan 8.230 nan 0.000 0.432 315 R N 0.096 120.376 120.500 -0.367 0.000 2.075 315 R HA -0.177 4.163 4.340 0.000 0.000 0.230 315 R C 1.981 178.193 176.300 -0.145 0.000 1.140 315 R CA 2.233 58.170 56.100 -0.271 0.000 0.928 315 R CB -0.155 29.979 30.300 -0.277 0.000 0.834 315 R HN 0.340 nan 8.270 nan 0.000 0.429 316 D N -0.096 120.242 120.400 -0.105 0.000 2.110 316 D HA -0.100 4.540 4.640 0.000 0.000 0.202 316 D C 1.539 177.823 176.300 -0.027 0.000 0.975 316 D CA 1.117 55.089 54.000 -0.046 0.000 0.839 316 D CB -0.354 40.435 40.800 -0.018 0.000 0.996 316 D HN 0.219 nan 8.370 nan 0.000 0.464 317 D N -1.006 119.389 120.400 -0.009 0.000 2.162 317 D HA -0.062 4.578 4.640 0.000 0.000 0.205 317 D C 1.775 178.093 176.300 0.030 0.000 0.964 317 D CA 0.552 54.577 54.000 0.042 0.000 0.847 317 D CB -0.053 40.813 40.800 0.110 0.000 0.988 317 D HN 0.142 nan 8.370 nan 0.000 0.480 318 Y N 0.957 121.129 120.300 -0.213 0.000 2.436 318 Y HA 0.090 4.640 4.550 0.000 0.000 0.288 318 Y C -0.029 175.715 175.900 -0.260 0.000 1.112 318 Y CA 0.615 58.538 58.100 -0.294 0.000 1.220 318 Y CB 0.470 38.573 38.460 -0.595 0.000 1.073 318 Y HN -0.117 nan 8.280 nan 0.000 0.552 319 E N -0.331 119.771 120.200 -0.163 0.000 2.302 319 E HA -0.152 4.198 4.350 0.000 0.000 0.186 319 E C -0.205 176.210 176.600 -0.307 0.000 1.444 319 E CA 0.506 56.798 56.400 -0.180 0.000 0.671 319 E CB -1.514 28.122 29.700 -0.106 0.000 1.122 319 E HN 0.347 nan 8.360 nan 0.000 0.366 320 V N -2.343 117.282 119.914 -0.482 0.000 3.276 320 V HA 0.261 4.381 4.120 0.000 0.000 0.319 320 V C 0.545 176.074 176.094 -0.943 0.000 1.476 320 V CA 0.150 61.788 62.300 -1.104 0.000 1.097 320 V CB 1.256 32.652 31.823 -0.712 0.000 0.988 320 V HN 0.266 nan 8.190 nan 0.000 0.473 321 S N 0.835 116.258 115.700 -0.462 0.000 2.694 321 S HA 0.767 5.237 4.470 0.000 0.000 0.278 321 S C 0.006 174.557 174.600 -0.080 0.000 1.152 321 S CA 0.368 58.444 58.200 -0.206 0.000 1.010 321 S CB 1.635 64.761 63.200 -0.123 0.000 1.104 321 S HN 1.390 nan 8.310 nan 0.000 0.547 322 C N 0.260 119.595 119.300 0.057 0.000 3.082 322 C HA 0.650 5.110 4.460 0.000 0.000 0.324 322 C C -2.072 173.009 174.990 0.152 0.000 1.210 322 C CA -1.484 57.626 59.018 0.154 0.000 1.366 322 C CB 0.685 28.587 27.740 0.269 0.000 1.756 322 C HN 0.606 nan 8.230 nan 0.000 0.485 323 P HA -0.186 nan 4.420 nan 0.000 0.218 323 P C 1.159 178.557 177.300 0.163 0.000 1.154 323 P CA 2.212 65.397 63.100 0.142 0.000 0.872 323 P CB 0.198 31.978 31.700 0.133 0.000 0.790 324 E N -0.469 119.855 120.200 0.206 0.000 2.058 324 E HA -0.141 4.209 4.350 0.000 0.000 0.194 324 E C 2.173 178.819 176.600 0.077 0.000 0.997 324 E CA 1.031 57.567 56.400 0.226 0.000 0.801 324 E CB -1.087 28.777 29.700 0.275 0.000 0.746 324 E HN 0.229 nan 8.360 nan 0.000 0.450 325 L N 1.024 122.284 121.223 0.061 0.000 1.994 325 L HA -0.203 4.137 4.340 0.000 0.000 0.208 325 L C 1.898 178.769 176.870 0.001 0.000 1.071 325 L CA 1.237 56.082 54.840 0.008 0.000 0.745 325 L CB -0.569 41.535 42.059 0.076 0.000 0.892 325 L HN 0.114 nan 8.230 nan 0.000 0.431 326 D N 0.053 120.514 120.400 0.103 0.000 2.116 326 D HA -0.245 4.395 4.640 0.000 0.000 0.193 326 D C 2.221 178.546 176.300 0.042 0.000 0.998 326 D CA 1.420 55.492 54.000 0.120 0.000 0.836 326 D CB -0.422 40.475 40.800 0.162 0.000 0.951 326 D HN 0.468 nan 8.370 nan 0.000 0.449 327 Q N 0.240 120.081 119.800 0.068 0.000 2.061 327 Q HA -0.110 4.230 4.340 0.000 0.000 0.204 327 Q C 2.662 178.674 176.000 0.020 0.000 0.984 327 Q CA 0.845 56.697 55.803 0.081 0.000 0.846 327 Q CB -0.264 28.580 28.738 0.177 0.000 0.902 327 Q HN 0.324 nan 8.270 nan 0.000 0.421 328 L N 0.065 121.248 121.223 -0.067 0.000 2.079 328 L HA -0.194 4.146 4.340 0.000 0.000 0.210 328 L C 2.386 179.190 176.870 -0.110 0.000 1.081 328 L CA 0.826 55.578 54.840 -0.145 0.000 0.752 328 L CB -0.429 41.471 42.059 -0.265 0.000 0.896 328 L HN 0.133 nan 8.230 nan 0.000 0.433 329 V N -0.275 119.547 119.914 -0.153 0.000 2.323 329 V HA -0.264 3.856 4.120 0.000 0.000 0.244 329 V C 2.502 178.538 176.094 -0.096 0.000 1.041 329 V CA 1.825 64.007 62.300 -0.197 0.000 1.025 329 V CB -0.398 31.142 31.823 -0.472 0.000 0.656 329 V HN 0.500 nan 8.190 nan 0.000 0.451 330 E N 0.268 120.437 120.200 -0.050 0.000 2.118 330 E HA -0.245 4.105 4.350 0.000 0.000 0.195 330 E C 2.170 178.770 176.600 -0.000 0.000 0.992 330 E CA 1.506 57.903 56.400 -0.005 0.000 0.804 330 E CB -0.101 29.614 29.700 0.026 0.000 0.741 330 E HN 0.564 nan 8.360 nan 0.000 0.458 331 A N 1.084 123.904 122.820 -0.001 0.000 1.898 331 A HA 0.000 4.320 4.320 0.000 0.000 0.216 331 A C 2.356 179.957 177.584 0.028 0.000 1.181 331 A CA 1.578 53.618 52.037 0.005 0.000 0.620 331 A CB -0.542 18.467 19.000 0.015 0.000 0.819 331 A HN 0.380 nan 8.150 nan 0.000 0.442 332 A N -0.405 122.410 122.820 -0.009 0.000 1.968 332 A HA 0.089 4.409 4.320 0.000 0.000 0.217 332 A C 2.015 179.570 177.584 -0.048 0.000 1.169 332 A CA 1.165 53.184 52.037 -0.030 0.000 0.638 332 A CB -0.473 18.506 19.000 -0.035 0.000 0.812 332 A HN 0.452 nan 8.150 nan 0.000 0.446 333 L N -0.976 120.227 121.223 -0.034 0.000 2.376 333 L HA -0.081 4.259 4.340 0.000 0.000 0.219 333 L C 2.833 179.680 176.870 -0.038 0.000 1.133 333 L CA 0.677 55.501 54.840 -0.028 0.000 0.816 333 L CB -0.425 41.629 42.059 -0.008 0.000 0.933 333 L HN 0.452 nan 8.230 nan 0.000 0.449 334 A N -0.253 122.540 122.820 -0.044 0.000 2.014 334 A HA 0.002 4.322 4.320 0.000 0.000 0.218 334 A C 1.180 178.667 177.584 -0.163 0.000 1.163 334 A CA 0.289 52.281 52.037 -0.075 0.000 0.652 334 A CB -0.304 18.679 19.000 -0.028 0.000 0.808 334 A HN 0.133 nan 8.150 nan 0.000 0.449 335 V N 2.882 122.672 119.914 -0.207 0.000 2.403 335 V HA 0.152 4.272 4.120 0.000 0.000 0.265 335 V C -2.343 173.675 176.094 -0.127 0.000 1.034 335 V CA -1.501 60.645 62.300 -0.257 0.000 1.036 335 V CB 0.060 31.635 31.823 -0.414 0.000 1.032 335 V HN 0.261 nan 8.190 nan 0.000 0.478 336 P HA 0.201 nan 4.420 nan 0.000 0.261 336 P C 1.002 178.262 177.300 -0.068 0.000 1.183 336 P CA 1.207 64.280 63.100 -0.044 0.000 0.761 336 P CB 0.592 32.283 31.700 -0.016 0.000 0.785 337 G N 1.332 110.054 108.800 -0.130 0.000 2.201 337 G HA2 -0.173 3.787 3.960 0.000 0.000 0.212 337 G HA3 -0.173 3.787 3.960 0.000 0.000 0.212 337 G C -0.160 174.486 174.900 -0.424 0.000 0.994 337 G CA -0.325 44.631 45.100 -0.241 0.000 0.644 337 G HN 0.540 nan 8.290 nan 0.000 0.508 338 V N 1.789 121.533 119.914 -0.282 0.000 2.406 338 V HA 0.423 4.543 4.120 0.000 0.000 0.272 338 V C 1.291 177.279 176.094 -0.177 0.000 1.043 338 V CA -0.295 61.855 62.300 -0.251 0.000 0.915 338 V CB 0.887 32.631 31.823 -0.132 0.000 0.988 338 V HN 0.346 nan 8.190 nan 0.000 0.466 339 Y N 3.568 123.882 120.300 0.023 0.000 2.286 339 Y HA 0.325 4.875 4.550 0.000 0.000 0.293 339 Y C 1.489 177.434 175.900 0.076 0.000 1.124 339 Y CA 0.687 58.826 58.100 0.064 0.000 1.178 339 Y CB 0.385 38.899 38.460 0.090 0.000 1.010 339 Y HN 0.725 nan 8.280 nan 0.000 0.536 340 G N -1.338 107.593 108.800 0.218 0.000 2.466 340 G HA2 0.434 4.394 3.960 0.000 0.000 0.291 340 G HA3 0.434 4.394 3.960 0.000 0.000 0.291 340 G C -1.758 173.200 174.900 0.096 0.000 1.460 340 G CA -0.472 44.717 45.100 0.149 0.000 0.791 340 G HN -0.100 nan 8.290 nan 0.000 0.505 341 S N -1.324 114.409 115.700 0.054 0.000 2.565 341 S HA 0.915 5.385 4.470 0.000 0.000 0.269 341 S C -0.532 174.046 174.600 -0.037 0.000 1.153 341 S CA -0.291 57.912 58.200 0.005 0.000 0.835 341 S CB 1.658 64.834 63.200 -0.039 0.000 1.122 341 S HN 1.481 nan 8.310 nan 0.000 0.462 345 G N 1.153 109.978 108.800 0.042 0.000 2.615 345 G HA2 0.149 4.109 3.960 0.000 0.000 0.218 345 G HA3 0.149 4.109 3.960 0.000 0.000 0.218 345 G C 0.991 175.945 174.900 0.089 0.000 1.339 345 G CA 0.449 45.580 45.100 0.052 0.000 0.884 345 G HN 1.804 nan 8.290 nan 0.000 0.559 346 G N -0.518 108.388 108.800 0.177 0.000 2.443 346 G HA2 0.516 4.476 3.960 0.000 0.000 0.219 346 G HA3 0.516 4.476 3.960 0.000 0.000 0.219 346 G C 1.722 176.883 174.900 0.435 0.000 1.131 346 G CA 1.958 47.294 45.100 0.395 0.000 0.775 346 G HN 2.726 nan 8.290 nan 0.000 0.547 347 G N -1.978 106.962 108.800 0.233 0.000 2.466 347 G HA2 0.142 4.102 3.960 0.000 0.000 0.316 347 G HA3 0.142 4.102 3.960 0.000 0.000 0.316 347 G C 0.268 175.263 174.900 0.159 0.000 1.270 347 G CA -0.227 44.897 45.100 0.040 0.000 0.982 347 G HN 0.875 nan 8.290 nan 0.000 0.506 348 F N -0.835 119.195 119.950 0.132 0.000 2.953 348 F HA -0.029 4.498 4.527 0.000 0.000 0.292 348 F C 1.817 177.658 175.800 0.069 0.000 0.747 348 F CA 2.425 60.506 58.000 0.134 0.000 1.222 348 F CB -1.346 37.739 39.000 0.141 0.000 1.457 348 F HN 2.273 nan 8.300 nan 0.000 0.383 349 G N -1.506 107.381 108.800 0.144 0.000 2.384 349 G HA2 0.493 4.453 3.960 0.000 0.000 0.150 349 G HA3 0.493 4.453 3.960 0.000 0.000 0.150 349 G C 0.476 175.391 174.900 0.026 0.000 1.269 349 G CA 0.408 45.516 45.100 0.013 0.000 1.094 349 G HN 1.451 nan 8.290 nan 0.000 0.467 350 G N -0.923 107.883 108.800 0.010 0.000 2.594 350 G HA2 -0.073 3.887 3.960 0.000 0.000 0.297 350 G HA3 -0.073 3.887 3.960 0.000 0.000 0.297 350 G C 0.725 175.624 174.900 -0.001 0.000 1.273 350 G CA 1.079 46.189 45.100 0.017 0.000 0.974 350 G HN 1.897 nan 8.290 nan 0.000 0.552 351 C N 0.027 119.333 119.300 0.009 0.000 2.349 351 C HA 0.861 5.321 4.460 0.000 0.000 0.361 351 C C 1.013 176.003 174.990 0.000 0.000 1.189 351 C CA 0.473 59.492 59.018 0.002 0.000 2.155 351 C CB 1.105 28.857 27.740 0.020 0.000 2.336 351 C HN 1.253 nan 8.230 nan 0.000 0.540 352 T N -0.990 113.558 114.554 -0.011 0.000 2.885 352 T HA 0.619 4.969 4.350 0.000 0.000 0.285 352 T C -1.057 173.655 174.700 0.020 0.000 1.019 352 T CA -0.552 61.540 62.100 -0.013 0.000 1.010 352 T CB 1.448 70.278 68.868 -0.064 0.000 1.022 352 T HN 0.582 nan 8.240 nan 0.000 0.466 353 V N 3.344 123.275 119.914 0.028 0.000 2.384 353 V HA 0.633 4.753 4.120 0.000 0.000 0.287 353 V C -0.457 175.665 176.094 0.048 0.000 1.020 353 V CA -0.117 62.211 62.300 0.046 0.000 0.850 353 V CB 1.424 33.279 31.823 0.055 0.000 0.987 353 V HN 1.224 nan 8.190 nan 0.000 0.436 354 T N 7.523 122.104 114.554 0.046 0.000 2.856 354 T HA 0.592 4.942 4.350 0.000 0.000 0.283 354 T C -0.898 173.827 174.700 0.042 0.000 1.008 354 T CA -0.386 61.737 62.100 0.039 0.000 0.997 354 T CB 1.603 70.478 68.868 0.013 0.000 0.992 354 T HN 0.433 nan 8.240 nan 0.000 0.454 355 L N 5.100 126.369 121.223 0.078 0.000 2.305 355 L HA 0.688 5.028 4.340 0.000 0.000 0.284 355 L C -1.304 175.629 176.870 0.105 0.000 1.013 355 L CA -0.566 54.335 54.840 0.101 0.000 0.819 355 L CB 0.799 42.963 42.059 0.175 0.000 1.227 355 L HN 0.529 nan 8.230 nan 0.000 0.417 356 L N 1.368 122.581 121.223 -0.016 0.000 2.510 356 L HA 0.653 4.993 4.340 0.000 0.000 0.252 356 L C -0.456 176.260 176.870 -0.256 0.000 1.091 356 L CA -1.190 53.470 54.840 -0.300 0.000 0.888 356 L CB 0.712 42.628 42.059 -0.240 0.000 1.507 356 L HN 0.399 nan 8.230 nan 0.000 0.407 357 E N 0.319 120.294 120.200 -0.375 0.000 2.316 357 E HA 0.464 4.814 4.350 0.000 0.000 0.275 357 E C 0.894 177.436 176.600 -0.096 0.000 1.029 357 E CA 0.196 56.502 56.400 -0.156 0.000 0.871 357 E CB 1.591 31.203 29.700 -0.146 0.000 1.022 357 E HN 0.772 nan 8.360 nan 0.000 0.418 358 A N 3.279 126.070 122.820 -0.049 0.000 1.909 358 A HA -0.334 3.986 4.320 0.000 0.000 0.221 358 A C 2.198 179.755 177.584 -0.045 0.000 1.223 358 A CA 2.667 54.678 52.037 -0.043 0.000 0.658 358 A CB -1.112 17.874 19.000 -0.024 0.000 0.831 358 A HN 0.729 nan 8.150 nan 0.000 0.462 359 S N -0.395 115.283 115.700 -0.037 0.000 2.440 359 S HA 0.031 4.501 4.470 0.000 0.000 0.240 359 S C 1.683 176.261 174.600 -0.037 0.000 1.014 359 S CA 1.648 59.829 58.200 -0.032 0.000 0.980 359 S CB -0.486 62.699 63.200 -0.025 0.000 0.775 359 S HN 1.223 nan 8.310 nan 0.000 0.499 360 A N 0.590 123.375 122.820 -0.057 0.000 2.252 360 A HA 0.743 5.063 4.320 0.000 0.000 0.213 360 A C 2.304 179.849 177.584 -0.066 0.000 1.188 360 A CA 0.865 52.875 52.037 -0.046 0.000 0.863 360 A CB -0.999 17.958 19.000 -0.071 0.000 0.893 360 A HN 0.860 nan 8.150 nan 0.000 0.495 361 A N 1.754 124.524 122.820 -0.083 0.000 1.900 361 A HA -0.256 4.064 4.320 0.000 0.000 0.225 361 A C 0.283 177.789 177.584 -0.130 0.000 1.414 361 A CA 2.628 54.601 52.037 -0.107 0.000 0.702 361 A CB -2.097 16.852 19.000 -0.084 0.000 0.845 361 A HN 0.456 nan 8.150 nan 0.000 0.478 362 P HA -0.223 nan 4.420 nan 0.000 0.213 362 P C 1.616 178.904 177.300 -0.020 0.000 1.170 362 P CA 1.851 64.916 63.100 -0.060 0.000 0.902 362 P CB -0.469 31.220 31.700 -0.019 0.000 0.789 363 H N -0.131 118.891 119.070 -0.080 0.000 2.387 363 H HA 0.017 4.574 4.556 0.000 0.000 0.299 363 H C 0.890 176.187 175.328 -0.051 0.000 1.090 363 H CA 0.618 56.633 56.048 -0.054 0.000 1.332 363 H CB -0.215 29.507 29.762 -0.067 0.000 1.386 363 H HN 0.005 nan 8.280 nan 0.000 0.516 367 H N 1.340 120.421 119.070 0.018 0.000 2.265 367 H HA -0.120 4.436 4.556 0.000 0.000 0.295 367 H C 1.907 177.350 175.328 0.193 0.000 1.084 367 H CA 2.660 58.752 56.048 0.073 0.000 1.261 367 H CB -0.030 29.600 29.762 -0.221 0.000 1.360 367 H HN 0.203 nan 8.280 nan 0.000 0.487 368 I N 0.580 121.232 120.570 0.136 0.000 2.145 368 I HA -0.345 3.825 4.170 0.000 0.000 0.244 368 I C 2.847 179.094 176.117 0.217 0.000 1.075 368 I CA 1.819 63.211 61.300 0.153 0.000 1.332 368 I CB -0.397 37.719 38.000 0.193 0.000 1.033 368 I HN 0.313 nan 8.210 nan 0.000 0.410 369 Q N 1.134 121.094 119.800 0.268 0.000 2.084 369 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 369 Q C 1.978 178.033 176.000 0.092 0.000 0.978 369 Q CA 1.714 57.619 55.803 0.170 0.000 0.844 369 Q CB -0.167 28.605 28.738 0.056 0.000 0.898 369 Q HN 0.434 nan 8.270 nan 0.000 0.426 370 E N -0.829 119.425 120.200 0.089 0.000 2.070 370 E HA -0.210 4.140 4.350 0.000 0.000 0.197 370 E C 1.179 177.615 176.600 -0.272 0.000 1.004 370 E CA 1.365 57.732 56.400 -0.055 0.000 0.805 370 E CB -0.119 29.588 29.700 0.012 0.000 0.744 370 E HN 0.612 nan 8.360 nan 0.000 0.451 371 H N -1.995 117.004 119.070 -0.118 0.000 2.519 371 H HA 0.029 4.585 4.556 0.000 0.000 0.289 371 H C -0.511 174.850 175.328 0.054 0.000 1.040 371 H CA -0.097 55.897 56.048 -0.091 0.000 1.165 371 H CB 0.169 29.802 29.762 -0.216 0.000 1.462 371 H HN 0.089 nan 8.280 nan 0.000 0.555 372 Y N 1.179 121.470 120.300 -0.015 0.000 2.334 372 Y HA 0.381 4.931 4.550 0.000 0.000 0.336 372 Y C 0.702 176.574 175.900 -0.047 0.000 0.960 372 Y CA -1.551 56.534 58.100 -0.025 0.000 1.164 372 Y CB 1.225 39.663 38.460 -0.037 0.000 1.155 372 Y HN 0.063 nan 8.280 nan 0.000 0.478 373 G N 3.684 112.246 108.800 -0.396 0.000 3.284 373 G HA2 0.453 4.413 3.960 0.000 0.000 0.251 373 G HA3 0.453 4.413 3.960 0.000 0.000 0.251 373 G C 0.239 174.720 174.900 -0.699 0.000 0.913 373 G CA 0.505 45.357 45.100 -0.412 0.000 1.947 373 G HN 1.074 nan 8.290 nan 0.000 0.635 374 G N -0.744 107.482 108.800 -0.957 0.000 2.428 374 G HA2 0.491 4.451 3.960 0.000 0.000 0.305 374 G HA3 0.491 4.451 3.960 0.000 0.000 0.305 374 G C -1.118 173.510 174.900 -0.455 0.000 1.260 374 G CA -0.459 44.167 45.100 -0.789 0.000 0.853 374 G HN 0.211 nan 8.290 nan 0.000 0.480 375 T N 1.202 115.668 114.554 -0.146 0.000 2.991 375 T HA 0.676 5.026 4.350 0.000 0.000 0.347 375 T C 0.357 175.088 174.700 0.053 0.000 1.122 375 T CA 0.347 62.431 62.100 -0.027 0.000 1.062 375 T CB 0.853 69.695 68.868 -0.042 0.000 1.043 375 T HN 1.117 nan 8.240 nan 0.000 0.491 376 A N 3.021 125.872 122.820 0.052 0.000 2.386 376 A HA 0.648 4.968 4.320 0.000 0.000 0.248 376 A C 0.601 177.869 177.584 -0.526 0.000 1.082 376 A CA -0.302 51.580 52.037 -0.258 0.000 0.789 376 A CB 0.210 18.914 19.000 -0.495 0.000 1.025 376 A HN 0.619 nan 8.150 nan 0.000 0.490 377 T N 1.330 115.588 114.554 -0.494 0.000 2.895 377 T HA 0.619 4.969 4.350 0.000 0.000 0.283 377 T C -0.875 173.481 174.700 -0.572 0.000 1.014 377 T CA 0.178 62.013 62.100 -0.442 0.000 1.037 377 T CB 0.471 69.189 68.868 -0.249 0.000 1.006 377 T HN 0.355 nan 8.240 nan 0.000 0.468 378 F N 1.679 121.510 119.950 -0.198 0.000 2.507 378 F HA 0.547 5.074 4.527 0.000 0.000 0.325 378 F C -0.824 174.787 175.800 -0.315 0.000 1.116 378 F CA -1.106 56.802 58.000 -0.154 0.000 0.930 378 F CB 1.507 40.486 39.000 -0.035 0.000 1.146 378 F HN 0.484 nan 8.300 nan 0.000 0.447 379 Y N 3.259 123.681 120.300 0.204 0.000 2.364 379 Y HA 0.583 5.133 4.550 0.000 0.000 0.340 379 Y C -0.586 175.365 175.900 0.086 0.000 0.975 379 Y CA -1.008 57.159 58.100 0.111 0.000 1.089 379 Y CB 1.510 40.007 38.460 0.063 0.000 1.192 379 Y HN 0.378 nan 8.280 nan 0.000 0.454 380 L N 3.470 124.807 121.223 0.190 0.000 2.262 380 L HA 0.503 4.843 4.340 0.000 0.000 0.288 380 L C -0.221 176.704 176.870 0.091 0.000 1.035 380 L CA -0.092 54.809 54.840 0.102 0.000 0.820 380 L CB 0.940 43.025 42.059 0.043 0.000 1.204 380 L HN 0.647 nan 8.230 nan 0.000 0.424 381 S N 2.364 118.104 115.700 0.066 0.000 2.664 381 S HA 0.602 5.072 4.470 0.000 0.000 0.304 381 S C -0.822 173.783 174.600 0.008 0.000 1.099 381 S CA -0.761 57.464 58.200 0.041 0.000 1.003 381 S CB 2.029 65.248 63.200 0.033 0.000 1.092 381 S HN 0.471 nan 8.310 nan 0.000 0.525 382 Q N 0.779 120.581 119.800 0.003 0.000 2.305 382 Q HA 0.503 4.843 4.340 0.000 0.000 0.271 382 Q C -0.838 175.158 176.000 -0.007 0.000 1.046 382 Q CA -0.721 55.076 55.803 -0.010 0.000 0.798 382 Q CB 2.121 30.857 28.738 -0.005 0.000 1.286 382 Q HN 0.833 nan 8.270 nan 0.000 0.435 383 A N 1.591 124.403 122.820 -0.014 0.000 2.587 383 A HA 0.391 4.711 4.320 0.000 0.000 0.233 383 A C -0.125 177.471 177.584 0.019 0.000 1.049 383 A CA 0.953 52.993 52.037 0.006 0.000 0.754 383 A CB 0.104 19.113 19.000 0.015 0.000 0.977 383 A HN 0.775 nan 8.150 nan 0.000 0.509 384 A N 1.849 124.683 122.820 0.023 0.000 2.464 384 A HA 0.703 5.023 4.320 0.000 0.000 0.268 384 A C -0.209 177.392 177.584 0.028 0.000 1.244 384 A CA -0.688 51.362 52.037 0.022 0.000 0.871 384 A CB 0.544 19.550 19.000 0.010 0.000 1.400 384 A HN 0.796 nan 8.150 nan 0.000 0.455 385 D N -0.522 119.890 120.400 0.019 0.000 2.354 385 D HA 0.454 5.094 4.640 0.000 0.000 0.247 385 D C 0.766 177.069 176.300 0.005 0.000 1.138 385 D CA 0.717 54.725 54.000 0.014 0.000 0.958 385 D CB 1.278 42.084 40.800 0.010 0.000 1.144 385 D HN 0.648 nan 8.370 nan 0.000 0.458 386 G N -0.616 108.182 108.800 -0.003 0.000 2.494 386 G HA2 0.449 4.409 3.960 0.000 0.000 0.270 386 G HA3 0.449 4.409 3.960 0.000 0.000 0.270 386 G C -0.406 174.490 174.900 -0.008 0.000 1.423 386 G CA -0.153 44.941 45.100 -0.011 0.000 1.055 386 G HN 0.543 nan 8.290 nan 0.000 0.536 387 A N -0.580 122.234 122.820 -0.011 0.000 2.498 387 A HA 0.528 4.848 4.320 0.000 0.000 0.239 387 A C 0.485 178.071 177.584 0.005 0.000 1.068 387 A CA 0.525 52.564 52.037 0.003 0.000 0.766 387 A CB -0.069 18.937 19.000 0.011 0.000 1.003 387 A HN 0.897 nan 8.150 nan 0.000 0.497 388 K N 0.576 120.983 120.400 0.012 0.000 2.512 388 K HA 0.699 5.019 4.320 0.000 0.000 0.263 388 K C -1.538 175.070 176.600 0.014 0.000 0.966 388 K CA -0.934 55.358 56.287 0.009 0.000 0.851 388 K CB 1.644 34.145 32.500 0.002 0.000 1.395 388 K HN 0.256 nan 8.250 nan 0.000 0.440 389 V N 2.519 122.437 119.914 0.006 0.000 2.509 389 V HA 0.305 4.425 4.120 0.000 0.000 0.284 389 V C -0.428 175.666 176.094 -0.000 0.000 1.047 389 V CA -0.682 61.619 62.300 0.002 0.000 0.952 389 V CB 0.833 32.650 31.823 -0.010 0.000 0.988 389 V HN 0.540 nan 8.190 nan 0.000 0.469 390 L N 4.277 125.500 121.223 0.001 0.000 2.313 390 L HA 0.463 4.803 4.340 0.000 0.000 0.283 390 L C -0.429 176.436 176.870 -0.007 0.000 1.013 390 L CA -0.282 54.557 54.840 -0.001 0.000 0.816 390 L CB 1.529 43.589 42.059 0.002 0.000 1.236 390 L HN 0.555 nan 8.230 nan 0.000 0.419 391 C N 4.578 123.874 119.300 -0.007 0.000 2.349 391 C HA 0.396 4.856 4.460 0.000 0.000 0.348 391 C C 0.828 175.814 174.990 -0.007 0.000 1.223 391 C CA -0.585 58.427 59.018 -0.009 0.000 1.746 391 C CB -0.703 27.033 27.740 -0.008 0.000 2.360 391 C HN 0.634 nan 8.230 nan 0.000 0.533 392 L N 0.000 121.217 121.223 -0.010 0.000 2.949 392 L HA 0.000 4.340 4.340 0.000 0.000 0.249 392 L CA 0.000 54.836 54.840 -0.006 0.000 0.813 392 L CB 0.000 42.050 42.059 -0.014 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502