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 3nvn_1_B DATA FIRST_RESID 37 DATA SEQUENCE EPVWRSEQAI GAIAASQEDG VFVASGScLD QLDYSLEHSL SRLYRDQAGN DATA SEQUENCE cTEPVSLAPP ARPRPGSSFS KLLLPYREGA AGLGGLLLTG WTFDRGACEV DATA SEQUENCE RPLGNLSRNS LRNGTEVVSc HPQGSTAGVV YRAGRNNRWY LAVAATYVLP DATA SEQUENCE EPETASRcNP AASDHDTAIA LKDTEGRSLA TQELGRLKLc EGAGSLHFVD DATA SEQUENCE AFLWNGSIYF PYYPYNYTSG AATGWPSMAR IAQSTEVLFQ GQASLDcGHG DATA SEQUENCE HPDGRRLLLS SSLVEALDVW AGVFSAAAGE GQERRSPTTT ALcLFRMSEI DATA SEQUENCE QARAKRVSWD FKTAESHcKE GDQPERVQPI ASSTLIHSDL TSVYGTVVMN DATA SEQUENCE RTVLFLGTGD GQLLKVILGE NLTSNCPEVI YEIKEETPVF YKLVPDPVKN DATA SEQUENCE IYIYLTAGKE VRRIRVANcN KHKScSEcLT ATDPHcGWcH SLQRcTFQGD DATA SEQUENCE cVHSENLENW LDISSGAKKc PGAP 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 37 E HA 0.000 nan 4.350 nan 0.000 0.291 37 E C 0.000 176.600 176.600 0.001 0.000 1.382 37 E CA 0.000 56.416 56.400 0.027 0.000 0.976 37 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 38 P HA 0.373 nan 4.420 nan 0.000 0.269 38 P C -0.907 176.394 177.300 0.003 0.000 1.215 38 P CA -0.511 62.574 63.100 -0.025 0.000 0.780 38 P CB 0.719 32.383 31.700 -0.061 0.000 0.898 39 V N 2.588 122.522 119.914 0.033 0.000 3.048 39 V HA 0.679 4.799 4.120 -0.001 0.000 0.303 39 V C -2.266 173.908 176.094 0.133 0.000 1.214 39 V CA -0.593 61.750 62.300 0.072 0.000 0.984 39 V CB 1.924 33.776 31.823 0.049 0.000 1.054 39 V HN 0.683 nan 8.190 nan 0.000 0.430 40 W N 6.616 127.883 121.300 -0.056 0.000 2.839 40 W HA 0.789 5.449 4.660 -0.001 0.000 0.334 40 W C -0.527 175.963 176.519 -0.048 0.000 1.064 40 W CA -0.501 56.803 57.345 -0.068 0.000 1.236 40 W CB 1.816 31.217 29.460 -0.099 0.000 1.405 40 W HN 0.566 nan 8.180 nan 0.000 0.478 41 R N 3.557 123.637 120.500 -0.699 0.000 2.778 41 R HA 0.726 5.066 4.340 -0.001 0.000 0.277 41 R C -0.806 174.846 176.300 -1.079 0.000 0.977 41 R CA -0.993 54.739 56.100 -0.613 0.000 0.950 41 R CB 2.331 32.427 30.300 -0.340 0.000 1.165 41 R HN 0.375 nan 8.270 nan 0.000 0.474 42 S N -0.229 115.096 115.700 -0.626 0.000 2.599 42 S HA 0.186 4.656 4.470 -0.001 0.000 0.294 42 S C 0.383 174.865 174.600 -0.196 0.000 1.094 42 S CA -0.698 57.217 58.200 -0.476 0.000 0.931 42 S CB 1.633 64.719 63.200 -0.189 0.000 1.093 42 S HN 0.677 nan 8.310 nan 0.000 0.488 43 E N 0.631 120.765 120.200 -0.111 0.000 2.285 43 E HA -0.008 4.342 4.350 -0.001 0.000 0.194 43 E C -0.160 176.445 176.600 0.008 0.000 0.997 43 E CA 0.655 57.028 56.400 -0.045 0.000 0.845 43 E CB 0.136 29.824 29.700 -0.020 0.000 0.782 43 E HN 0.465 nan 8.360 nan 0.000 0.491 44 Q N -0.375 119.449 119.800 0.040 0.000 2.351 44 Q HA 0.525 4.864 4.340 -0.001 0.000 0.273 44 Q C -0.850 175.207 176.000 0.095 0.000 1.077 44 Q CA -0.554 55.303 55.803 0.091 0.000 0.843 44 Q CB 1.646 30.468 28.738 0.141 0.000 1.367 44 Q HN 0.108 nan 8.270 nan 0.000 0.449 45 A N 1.354 124.242 122.820 0.114 0.000 2.498 45 A HA 0.294 4.614 4.320 -0.001 0.000 0.239 45 A C -0.350 177.292 177.584 0.098 0.000 1.068 45 A CA -0.193 51.904 52.037 0.100 0.000 0.766 45 A CB -0.220 18.850 19.000 0.117 0.000 1.003 45 A HN 0.694 nan 8.150 nan 0.000 0.497 46 I N 2.275 122.857 120.570 0.020 0.000 2.496 46 I HA 0.227 4.397 4.170 -0.001 0.000 0.285 46 I C 1.470 177.503 176.117 -0.141 0.000 1.080 46 I CA 0.491 61.749 61.300 -0.070 0.000 1.404 46 I CB 1.264 39.141 38.000 -0.205 0.000 1.403 46 I HN 0.788 nan 8.210 nan 0.000 0.539 47 G N 4.677 113.470 108.800 -0.012 0.000 2.743 47 G HA2 0.545 4.505 3.960 -0.001 0.000 0.206 47 G HA3 0.545 4.505 3.960 -0.001 0.000 0.206 47 G C 0.270 175.278 174.900 0.180 0.000 1.115 47 G CA 0.491 45.667 45.100 0.127 0.000 0.782 47 G HN 0.711 nan 8.290 nan 0.000 0.524 48 A N -0.478 122.357 122.820 0.025 0.000 2.574 48 A HA 0.691 5.011 4.320 -0.001 0.000 0.297 48 A C -2.131 175.434 177.584 -0.033 0.000 1.062 48 A CA -0.468 51.621 52.037 0.087 0.000 0.686 48 A CB 1.933 20.977 19.000 0.073 0.000 1.285 48 A HN 0.584 nan 8.150 nan 0.000 0.403 49 I N 0.501 121.080 120.570 0.015 0.000 2.644 49 I HA 0.829 4.998 4.170 -0.001 0.000 0.291 49 I C -0.558 175.555 176.117 -0.005 0.000 1.180 49 I CA -0.243 61.029 61.300 -0.046 0.000 1.040 49 I CB 1.796 39.736 38.000 -0.100 0.000 1.255 49 I HN 1.568 nan 8.210 nan 0.000 0.422 50 A N 5.613 128.422 122.820 -0.019 0.000 2.517 50 A HA 0.956 5.275 4.320 -0.001 0.000 0.297 50 A C -1.562 176.044 177.584 0.035 0.000 1.050 50 A CA -0.165 51.881 52.037 0.015 0.000 0.694 50 A CB 1.461 20.472 19.000 0.018 0.000 1.277 50 A HN 1.396 nan 8.150 nan 0.000 0.400 51 A N 1.281 124.128 122.820 0.046 0.000 2.287 51 A HA 0.741 5.060 4.320 -0.001 0.000 0.317 51 A C 0.341 178.023 177.584 0.164 0.000 1.220 51 A CA 0.056 52.140 52.037 0.079 0.000 0.835 51 A CB 0.768 19.826 19.000 0.097 0.000 1.180 51 A HN 1.761 nan 8.150 nan 0.000 0.500 52 S N 1.695 117.529 115.700 0.223 0.000 2.585 52 S HA 0.126 4.596 4.470 -0.001 0.000 0.273 52 S C 1.108 175.853 174.600 0.241 0.000 1.339 52 S CA -0.069 58.261 58.200 0.218 0.000 1.028 52 S CB 0.654 64.029 63.200 0.292 0.000 0.906 52 S HN 0.746 nan 8.310 nan 0.000 0.528 53 Q N 1.617 121.515 119.800 0.163 0.000 1.990 53 Q HA -0.103 4.237 4.340 -0.001 0.000 0.200 53 Q C 1.803 177.887 176.000 0.140 0.000 0.980 53 Q CA 1.887 57.766 55.803 0.127 0.000 0.832 53 Q CB -0.046 28.738 28.738 0.077 0.000 0.897 53 Q HN 0.802 nan 8.270 nan 0.000 0.427 54 E N 0.064 120.349 120.200 0.141 0.000 2.244 54 E HA 0.025 4.374 4.350 -0.001 0.000 0.196 54 E C -0.240 176.488 176.600 0.213 0.000 0.939 54 E CA 0.064 56.547 56.400 0.137 0.000 0.884 54 E CB 0.410 30.152 29.700 0.070 0.000 0.850 54 E HN 0.308 nan 8.360 nan 0.000 0.481 55 D N 0.549 121.057 120.400 0.181 0.000 2.348 55 D HA 0.265 4.904 4.640 -0.001 0.000 0.249 55 D C 0.486 176.772 176.300 -0.024 0.000 1.110 55 D CA -0.067 53.999 54.000 0.110 0.000 0.967 55 D CB 0.833 41.729 40.800 0.160 0.000 1.139 55 D HN 0.053 nan 8.370 nan 0.000 0.466 56 G N -0.599 107.978 108.800 -0.372 0.000 2.680 56 G HA2 0.194 4.153 3.960 -0.001 0.000 0.274 56 G HA3 0.194 4.153 3.960 -0.001 0.000 0.274 56 G C -0.322 174.069 174.900 -0.848 0.000 1.292 56 G CA -0.543 44.030 45.100 -0.878 0.000 1.007 56 G HN 0.343 nan 8.290 nan 0.000 0.578 57 V N 0.535 119.882 119.914 -0.946 0.000 2.406 57 V HA 0.287 4.407 4.120 -0.001 0.000 0.272 57 V C -0.532 175.136 176.094 -0.709 0.000 1.043 57 V CA -0.222 61.673 62.300 -0.675 0.000 0.915 57 V CB 0.465 31.820 31.823 -0.782 0.000 0.988 57 V HN 0.371 nan 8.190 nan 0.000 0.466 58 F N 4.313 124.063 119.950 -0.334 0.000 2.411 58 F HA 0.603 5.130 4.527 -0.001 0.000 0.350 58 F C 0.197 175.828 175.800 -0.282 0.000 1.114 58 F CA -0.500 57.333 58.000 -0.279 0.000 1.135 58 F CB 1.471 40.362 39.000 -0.181 0.000 1.120 58 F HN 0.170 nan 8.300 nan 0.000 0.495 59 V N 2.537 122.343 119.914 -0.179 0.000 2.638 59 V HA 0.790 4.910 4.120 -0.001 0.000 0.306 59 V C -0.490 175.571 176.094 -0.055 0.000 1.052 59 V CA -1.102 61.085 62.300 -0.188 0.000 0.885 59 V CB 1.615 33.200 31.823 -0.397 0.000 0.999 59 V HN 0.876 nan 8.190 nan 0.000 0.424 60 A N 2.918 125.754 122.820 0.027 0.000 2.303 60 A HA 0.820 5.140 4.320 -0.001 0.000 0.320 60 A C 0.508 178.191 177.584 0.165 0.000 1.192 60 A CA -0.007 52.118 52.037 0.148 0.000 0.821 60 A CB 1.398 20.504 19.000 0.177 0.000 1.188 60 A HN 0.916 nan 8.150 nan 0.000 0.492 61 S N 2.466 118.303 115.700 0.228 0.000 2.860 61 S HA 0.411 4.880 4.470 -0.001 0.000 0.181 61 S C 1.549 176.320 174.600 0.286 0.000 0.763 61 S CA 0.518 58.852 58.200 0.225 0.000 0.829 61 S CB -0.755 62.582 63.200 0.228 0.000 0.793 61 S HN 0.939 nan 8.310 nan 0.000 0.614 62 G N 1.556 110.520 108.800 0.274 0.000 2.568 62 G HA2 0.235 4.194 3.960 -0.001 0.000 0.212 62 G HA3 0.235 4.194 3.960 -0.001 0.000 0.212 62 G C 1.044 176.134 174.900 0.318 0.000 1.821 62 G CA 0.663 45.943 45.100 0.300 0.000 0.904 62 G HN 0.754 nan 8.290 nan 0.000 0.566 63 S N -1.386 114.413 115.700 0.165 0.000 2.602 63 S HA 0.425 4.895 4.470 -0.001 0.000 0.240 63 S C 0.114 174.745 174.600 0.052 0.000 0.992 63 S CA -0.671 57.607 58.200 0.130 0.000 0.971 63 S CB -0.522 62.569 63.200 -0.181 0.000 0.855 63 S HN 0.334 nan 8.310 nan 0.000 0.481 64 c N 0.985 119.677 118.600 0.154 0.000 2.779 64 c HA 0.840 5.409 4.570 -0.001 0.000 0.314 64 c C -0.602 173.615 174.090 0.212 0.000 1.231 64 c CA -0.967 55.417 56.329 0.092 0.000 1.652 64 c CB 1.430 43.943 42.510 0.005 0.000 2.198 64 c HN 0.628 nan 8.230 nan 0.000 0.483 65 L N 2.182 123.500 121.223 0.160 0.000 2.362 65 L HA 0.625 4.965 4.340 -0.001 0.000 0.275 65 L C -1.131 175.764 176.870 0.041 0.000 0.998 65 L CA 0.405 55.359 54.840 0.191 0.000 0.820 65 L CB 1.319 43.573 42.059 0.325 0.000 1.270 65 L HN 0.618 nan 8.230 nan 0.000 0.415 66 D N 3.621 123.998 120.400 -0.039 0.000 2.375 66 D HA 0.219 4.858 4.640 -0.001 0.000 0.247 66 D C -1.178 174.917 176.300 -0.342 0.000 1.061 66 D CA -0.174 53.715 54.000 -0.184 0.000 0.834 66 D CB 2.269 42.911 40.800 -0.262 0.000 1.247 66 D HN 0.551 nan 8.370 nan 0.000 0.489 67 Q N 3.680 123.246 119.800 -0.390 0.000 2.421 67 Q HA 0.327 4.667 4.340 -0.001 0.000 0.242 67 Q C -0.908 174.715 176.000 -0.627 0.000 1.024 67 Q CA -0.463 54.910 55.803 -0.716 0.000 0.891 67 Q CB 0.468 28.831 28.738 -0.626 0.000 1.222 67 Q HN 0.420 nan 8.270 nan 0.000 0.483 68 L N 2.799 123.578 121.223 -0.740 0.000 2.360 68 L HA 0.420 4.759 4.340 -0.001 0.000 0.271 68 L C 0.477 176.985 176.870 -0.604 0.000 1.057 68 L CA -1.177 53.278 54.840 -0.642 0.000 0.803 68 L CB 0.898 42.467 42.059 -0.816 0.000 1.207 68 L HN 0.671 nan 8.230 nan 0.000 0.445 69 D N -0.079 120.076 120.400 -0.408 0.000 2.358 69 D HA -0.043 4.596 4.640 -0.001 0.000 0.244 69 D C 0.567 176.645 176.300 -0.369 0.000 1.163 69 D CA -0.145 53.646 54.000 -0.348 0.000 0.945 69 D CB 0.799 41.548 40.800 -0.085 0.000 1.152 69 D HN 0.430 nan 8.370 nan 0.000 0.451 70 Y N -0.033 120.195 120.300 -0.120 0.000 2.483 70 Y HA -0.112 4.438 4.550 -0.001 0.000 0.291 70 Y C 2.446 178.313 175.900 -0.055 0.000 1.143 70 Y CA 0.996 59.062 58.100 -0.056 0.000 1.289 70 Y CB -0.102 38.346 38.460 -0.019 0.000 0.983 70 Y HN 0.262 nan 8.280 nan 0.000 0.556 71 S N -0.271 115.445 115.700 0.028 0.000 2.593 71 S HA 0.113 4.583 4.470 -0.001 0.000 0.217 71 S C 0.755 175.311 174.600 -0.074 0.000 0.966 71 S CA 0.002 58.178 58.200 -0.040 0.000 0.914 71 S CB -0.402 62.780 63.200 -0.030 0.000 0.776 71 S HN 0.450 nan 8.310 nan 0.000 0.523 72 L N 1.205 122.366 121.223 -0.104 0.000 3.737 72 L HA -0.290 4.050 4.340 -0.001 0.000 0.418 72 L C 1.228 178.082 176.870 -0.026 0.000 1.216 72 L CA 1.083 55.859 54.840 -0.107 0.000 0.915 72 L CB -1.799 40.258 42.059 -0.003 0.000 1.834 72 L HN 0.581 nan 8.230 nan 0.000 0.943 73 E N -2.248 117.858 120.200 -0.156 0.000 2.568 73 E HA 0.126 4.475 4.350 -0.001 0.000 0.220 73 E C 0.325 176.736 176.600 -0.315 0.000 0.869 73 E CA -0.461 55.800 56.400 -0.233 0.000 1.268 73 E CB 0.556 29.987 29.700 -0.447 0.000 1.252 73 E HN 0.538 nan 8.360 nan 0.000 0.606 74 H N 1.338 120.412 119.070 0.006 0.000 2.708 74 H HA 0.315 4.870 4.556 -0.001 0.000 0.320 74 H C -1.107 174.171 175.328 -0.084 0.000 0.991 74 H CA -0.811 55.227 56.048 -0.017 0.000 1.243 74 H CB 1.856 31.595 29.762 -0.038 0.000 1.446 74 H HN -0.042 nan 8.280 nan 0.000 0.502 75 S N 4.506 120.250 115.700 0.072 0.000 2.416 75 S HA 0.131 4.600 4.470 -0.001 0.000 0.302 75 S C 1.575 176.142 174.600 -0.055 0.000 1.120 75 S CA -0.673 57.501 58.200 -0.044 0.000 1.067 75 S CB -0.254 62.978 63.200 0.054 0.000 1.057 75 S HN 0.521 nan 8.310 nan 0.000 0.518 76 L N 3.867 125.012 121.223 -0.130 0.000 2.046 76 L HA 0.040 4.380 4.340 -0.001 0.000 0.208 76 L C 1.170 177.985 176.870 -0.091 0.000 1.077 76 L CA 0.497 55.269 54.840 -0.113 0.000 0.747 76 L CB -0.769 41.192 42.059 -0.164 0.000 0.896 76 L HN 0.732 nan 8.230 nan 0.000 0.432 77 S N -1.536 114.094 115.700 -0.116 0.000 2.588 77 S HA 0.643 5.112 4.470 -0.001 0.000 0.269 77 S C -0.822 173.719 174.600 -0.099 0.000 1.157 77 S CA -1.024 57.129 58.200 -0.078 0.000 0.824 77 S CB 3.158 66.327 63.200 -0.052 0.000 1.126 77 S HN 0.169 nan 8.310 nan 0.000 0.464 78 R N -0.165 120.271 120.500 -0.106 0.000 2.808 78 R HA 0.764 5.104 4.340 -0.001 0.000 0.272 78 R C -2.237 173.910 176.300 -0.256 0.000 0.995 78 R CA -0.978 55.000 56.100 -0.204 0.000 0.917 78 R CB 1.722 31.834 30.300 -0.313 0.000 1.217 78 R HN 0.712 nan 8.270 nan 0.000 0.471 79 L N 2.857 123.901 121.223 -0.299 0.000 2.406 79 L HA 0.422 4.762 4.340 -0.001 0.000 0.270 79 L C -1.879 174.793 176.870 -0.330 0.000 0.982 79 L CA -0.362 54.350 54.840 -0.214 0.000 0.843 79 L CB 1.330 43.397 42.059 0.014 0.000 1.225 79 L HN 0.537 nan 8.230 nan 0.000 0.412 80 Y N 4.812 125.083 120.300 -0.049 0.000 2.595 80 Y HA 0.382 4.932 4.550 -0.000 0.000 0.347 80 Y C 1.175 176.946 175.900 -0.214 0.000 1.025 80 Y CA -0.483 57.548 58.100 -0.116 0.000 1.295 80 Y CB 0.734 39.134 38.460 -0.100 0.000 1.147 80 Y HN 0.624 nan 8.280 nan 0.000 0.515 81 R N 1.382 121.728 120.500 -0.257 0.000 2.075 81 R HA -0.104 4.235 4.340 -0.001 0.000 0.226 81 R C 1.608 177.572 176.300 -0.559 0.000 1.114 81 R CA 1.626 57.426 56.100 -0.500 0.000 0.972 81 R CB -0.233 29.463 30.300 -1.007 0.000 0.869 81 R HN 0.753 nan 8.270 nan 0.000 0.437 82 D N -0.675 119.322 120.400 -0.671 0.000 2.178 82 D HA -0.019 4.621 4.640 -0.001 0.000 0.217 82 D C -0.323 175.755 176.300 -0.370 0.000 0.992 82 D CA 0.768 54.335 54.000 -0.721 0.000 0.895 82 D CB 0.454 40.732 40.800 -0.869 0.000 1.031 82 D HN 0.184 nan 8.370 nan 0.000 0.453 83 Q N -0.160 119.481 119.800 -0.266 0.000 2.394 83 Q HA 0.587 4.926 4.340 -0.001 0.000 0.273 83 Q C -0.972 174.933 176.000 -0.160 0.000 1.089 83 Q CA -0.877 54.815 55.803 -0.186 0.000 0.812 83 Q CB 2.411 31.044 28.738 -0.175 0.000 1.353 83 Q HN 0.221 nan 8.270 nan 0.000 0.438 84 A N 1.152 123.860 122.820 -0.187 0.000 2.524 84 A HA 0.493 4.812 4.320 -0.001 0.000 0.250 84 A C 0.909 178.176 177.584 -0.529 0.000 1.078 84 A CA 1.259 53.086 52.037 -0.349 0.000 0.761 84 A CB -0.653 18.191 19.000 -0.261 0.000 1.012 84 A HN 0.968 nan 8.150 nan 0.000 0.500 85 G N 2.636 110.772 108.800 -1.106 0.000 2.936 85 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.237 85 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.237 85 G C 0.252 175.005 174.900 -0.244 0.000 1.403 85 G CA 0.135 44.804 45.100 -0.718 0.000 1.011 85 G HN 1.297 nan 8.290 nan 0.000 0.568 86 N N 0.545 119.162 118.700 -0.138 0.000 2.030 86 N HA 0.112 4.852 4.740 -0.001 0.000 0.292 86 N C 0.987 176.501 175.510 0.007 0.000 1.315 86 N CA 1.010 54.033 53.050 -0.045 0.000 0.810 86 N CB 0.096 38.541 38.487 -0.071 0.000 1.048 86 N HN 0.740 nan 8.380 nan 0.000 0.492 87 c N 1.885 120.521 118.600 0.061 0.000 2.974 87 c HA 0.163 4.732 4.570 -0.001 0.000 0.282 87 c C 0.373 174.480 174.090 0.029 0.000 1.292 87 c CA -0.345 56.026 56.329 0.069 0.000 1.710 87 c CB -1.407 41.179 42.510 0.127 0.000 2.036 87 c HN 0.662 nan 8.230 nan 0.000 0.629 88 T N 2.563 117.121 114.554 0.007 0.000 2.902 88 T HA 0.028 4.377 4.350 -0.001 0.000 0.301 88 T C 0.239 174.919 174.700 -0.034 0.000 1.012 88 T CA 0.368 62.475 62.100 0.011 0.000 1.151 88 T CB 0.215 69.087 68.868 0.006 0.000 0.946 88 T HN 0.520 nan 8.240 nan 0.000 0.542 89 E N 4.575 124.784 120.200 0.016 0.000 2.924 89 E HA -0.064 4.286 4.350 -0.001 0.000 0.236 89 E C -1.530 174.997 176.600 -0.122 0.000 1.028 89 E CA -0.969 55.390 56.400 -0.068 0.000 0.952 89 E CB 0.003 29.915 29.700 0.354 0.000 0.918 89 E HN 0.426 nan 8.360 nan 0.000 0.536 90 P HA -0.229 nan 4.420 nan 0.000 0.218 90 P C 0.053 177.365 177.300 0.019 0.000 1.147 90 P CA 1.158 64.172 63.100 -0.142 0.000 0.827 90 P CB 0.254 31.843 31.700 -0.185 0.000 0.778 91 V N -3.590 116.413 119.914 0.148 0.000 3.204 91 V HA 0.543 4.662 4.120 -0.001 0.000 0.308 91 V C -0.181 176.109 176.094 0.326 0.000 1.324 91 V CA -0.730 61.730 62.300 0.267 0.000 1.042 91 V CB 1.613 33.653 31.823 0.363 0.000 1.167 91 V HN -0.275 nan 8.190 nan 0.000 0.478 92 S N 0.770 116.632 115.700 0.270 0.000 2.547 92 S HA 0.765 5.234 4.470 -0.001 0.000 0.281 92 S C -1.806 172.887 174.600 0.155 0.000 1.118 92 S CA -0.506 57.823 58.200 0.214 0.000 0.947 92 S CB 0.967 64.251 63.200 0.141 0.000 1.053 92 S HN 0.475 nan 8.310 nan 0.000 0.482 93 L N 3.255 124.548 121.223 0.117 0.000 2.341 93 L HA 0.702 5.042 4.340 -0.001 0.000 0.278 93 L C 0.200 177.106 176.870 0.061 0.000 1.005 93 L CA -0.835 54.034 54.840 0.048 0.000 0.818 93 L CB 0.640 42.673 42.059 -0.043 0.000 1.259 93 L HN 0.776 nan 8.230 nan 0.000 0.418 94 A N 4.599 127.452 122.820 0.056 0.000 2.391 94 A HA 0.648 4.968 4.320 -0.001 0.000 0.316 94 A C -2.061 175.557 177.584 0.058 0.000 1.381 94 A CA -1.173 50.899 52.037 0.058 0.000 0.998 94 A CB -0.349 18.684 19.000 0.055 0.000 1.147 94 A HN 0.561 nan 8.150 nan 0.000 0.545 95 P HA 0.125 nan 4.420 nan 0.000 0.252 95 P C -1.915 175.420 177.300 0.058 0.000 1.183 95 P CA -0.243 62.895 63.100 0.064 0.000 0.973 95 P CB -0.135 31.609 31.700 0.073 0.000 0.990 96 P HA 0.048 nan 4.420 nan 0.000 0.293 96 P C -0.192 177.136 177.300 0.047 0.000 1.285 96 P CA -0.418 62.715 63.100 0.055 0.000 0.775 96 P CB 0.191 31.931 31.700 0.067 0.000 1.351 97 A N -0.004 122.841 122.820 0.043 0.000 2.613 97 A HA -0.119 4.201 4.320 -0.001 0.000 0.230 97 A C 1.710 179.311 177.584 0.028 0.000 1.051 97 A CA 0.239 52.297 52.037 0.035 0.000 0.754 97 A CB -0.352 18.668 19.000 0.033 0.000 0.979 97 A HN 0.480 nan 8.150 nan 0.000 0.510 98 R N 1.273 121.790 120.500 0.029 0.000 2.193 98 R HA -0.099 4.241 4.340 -0.001 0.000 0.229 98 R C -1.010 175.294 176.300 0.007 0.000 1.110 98 R CA 1.862 57.979 56.100 0.029 0.000 0.988 98 R CB -0.986 29.337 30.300 0.038 0.000 0.871 98 R HN 0.645 nan 8.270 nan 0.000 0.458 99 P HA 0.046 nan 4.420 nan 0.000 0.222 99 P C -0.208 177.044 177.300 -0.079 0.000 1.157 99 P CA 0.436 63.513 63.100 -0.040 0.000 0.816 99 P CB 0.135 31.814 31.700 -0.034 0.000 0.813 100 R N 1.321 121.790 120.500 -0.051 0.000 2.679 100 R HA 0.127 4.467 4.340 -0.001 0.000 0.268 100 R C -1.942 174.271 176.300 -0.145 0.000 1.044 100 R CA -1.208 54.840 56.100 -0.086 0.000 1.105 100 R CB -0.668 29.648 30.300 0.028 0.000 0.989 100 R HN 0.150 nan 8.270 nan 0.000 0.447 101 P HA 0.007 nan 4.420 nan 0.000 0.271 101 P C -0.153 177.093 177.300 -0.090 0.000 1.216 101 P CA -0.067 62.864 63.100 -0.282 0.000 0.771 101 P CB 0.820 32.124 31.700 -0.661 0.000 0.864 102 G N 1.861 110.637 108.800 -0.040 0.000 2.588 102 G HA2 0.361 4.321 3.960 -0.001 0.000 0.281 102 G HA3 0.361 4.321 3.960 -0.001 0.000 0.281 102 G C -0.516 174.417 174.900 0.055 0.000 1.236 102 G CA -0.402 44.720 45.100 0.036 0.000 0.969 102 G HN 0.490 nan 8.290 nan 0.000 0.504 103 S N -1.186 114.540 115.700 0.043 0.000 2.549 103 S HA 0.735 5.205 4.470 -0.001 0.000 0.297 103 S C -0.125 174.440 174.600 -0.058 0.000 1.115 103 S CA -0.462 57.729 58.200 -0.016 0.000 1.059 103 S CB 1.664 64.830 63.200 -0.057 0.000 1.046 103 S HN 0.842 nan 8.310 nan 0.000 0.506 104 S N 0.466 116.082 115.700 -0.140 0.000 2.588 104 S HA 0.627 5.097 4.470 -0.001 0.000 0.269 104 S C -0.850 173.580 174.600 -0.283 0.000 1.157 104 S CA -0.546 57.571 58.200 -0.140 0.000 0.824 104 S CB 0.429 63.678 63.200 0.081 0.000 1.126 104 S HN 0.448 nan 8.310 nan 0.000 0.464 105 F N 1.478 121.491 119.950 0.104 0.000 2.582 105 F HA 0.405 4.932 4.527 -0.001 0.000 0.290 105 F C 1.665 177.533 175.800 0.113 0.000 1.115 105 F CA 0.225 58.234 58.000 0.015 0.000 1.445 105 F CB 0.079 39.118 39.000 0.066 0.000 1.126 105 F HN 0.489 nan 8.300 nan 0.000 0.574 106 S N 0.764 116.653 115.700 0.315 0.000 2.489 106 S HA 0.230 4.699 4.470 -0.001 0.000 0.277 106 S C 0.959 175.526 174.600 -0.055 0.000 1.230 106 S CA -0.444 57.764 58.200 0.013 0.000 1.053 106 S CB 0.560 63.793 63.200 0.055 0.000 0.955 106 S HN 0.055 nan 8.310 nan 0.000 0.488 107 K N 3.492 123.785 120.400 -0.179 0.000 2.399 107 K HA 0.362 4.682 4.320 -0.001 0.000 0.196 107 K C -0.159 176.385 176.600 -0.094 0.000 1.103 107 K CA 0.177 56.413 56.287 -0.085 0.000 0.986 107 K CB 0.343 32.799 32.500 -0.073 0.000 0.952 107 K HN 0.641 nan 8.250 nan 0.000 0.541 108 L N 0.977 122.076 121.223 -0.207 0.000 2.493 108 L HA 0.406 4.745 4.340 -0.001 0.000 0.265 108 L C -2.006 174.723 176.870 -0.235 0.000 0.954 108 L CA -0.912 53.834 54.840 -0.157 0.000 0.844 108 L CB 1.845 43.832 42.059 -0.120 0.000 1.302 108 L HN -0.146 nan 8.230 nan 0.000 0.405 109 L N 6.218 127.357 121.223 -0.140 0.000 2.573 109 L HA 0.554 4.894 4.340 -0.001 0.000 0.260 109 L C -1.818 174.998 176.870 -0.091 0.000 0.997 109 L CA 0.083 54.830 54.840 -0.155 0.000 0.890 109 L CB 1.356 43.343 42.059 -0.120 0.000 1.179 109 L HN 0.434 nan 8.230 nan 0.000 0.439 110 L N 5.917 127.086 121.223 -0.089 0.000 2.406 110 L HA 0.598 4.938 4.340 -0.001 0.000 0.270 110 L C -2.436 174.443 176.870 0.016 0.000 0.982 110 L CA -1.575 53.251 54.840 -0.023 0.000 0.843 110 L CB 2.015 44.072 42.059 -0.003 0.000 1.225 110 L HN 0.345 nan 8.230 nan 0.000 0.412 111 P HA 0.304 nan 4.420 nan 0.000 0.286 111 P C -1.536 175.838 177.300 0.124 0.000 1.269 111 P CA -0.106 62.979 63.100 -0.025 0.000 0.787 111 P CB 0.614 32.280 31.700 -0.057 0.000 0.920 112 Y N -0.589 119.622 120.300 -0.147 0.000 2.655 112 Y HA 0.613 5.163 4.550 -0.001 0.000 0.336 112 Y C 0.154 175.865 175.900 -0.315 0.000 1.154 112 Y CA -1.606 56.397 58.100 -0.162 0.000 1.055 112 Y CB 1.332 39.707 38.460 -0.142 0.000 1.295 112 Y HN 0.164 nan 8.280 nan 0.000 0.465 113 R N 0.753 120.995 120.500 -0.430 0.000 3.418 113 R HA -0.180 4.160 4.340 -0.001 0.000 0.274 113 R C -0.727 175.421 176.300 -0.253 0.000 1.108 113 R CA 1.225 56.985 56.100 -0.566 0.000 0.741 113 R CB -1.740 27.968 30.300 -0.986 0.000 1.223 113 R HN 0.955 nan 8.270 nan 0.000 0.434 114 E N -1.933 118.216 120.200 -0.085 0.000 2.693 114 E HA 0.187 4.537 4.350 -0.001 0.000 0.214 114 E C 1.402 178.020 176.600 0.031 0.000 0.990 114 E CA 0.174 56.553 56.400 -0.035 0.000 1.047 114 E CB 0.900 30.586 29.700 -0.022 0.000 1.039 114 E HN 0.321 nan 8.360 nan 0.000 0.475 115 G N 1.660 110.503 108.800 0.072 0.000 2.414 115 G HA2 0.131 4.091 3.960 -0.001 0.000 0.215 115 G HA3 0.131 4.091 3.960 -0.001 0.000 0.215 115 G C 0.594 175.530 174.900 0.061 0.000 1.188 115 G CA 0.755 45.909 45.100 0.089 0.000 0.783 115 G HN 0.450 nan 8.290 nan 0.000 0.537 116 A N -1.424 121.429 122.820 0.054 0.000 2.566 116 A HA 0.806 5.126 4.320 -0.001 0.000 0.292 116 A C -0.223 177.374 177.584 0.023 0.000 1.112 116 A CA 0.048 52.107 52.037 0.037 0.000 0.707 116 A CB 0.963 19.988 19.000 0.043 0.000 1.302 116 A HN 1.180 nan 8.150 nan 0.000 0.409 117 A N -0.591 122.237 122.820 0.014 0.000 2.462 117 A HA 0.576 4.896 4.320 -0.001 0.000 0.243 117 A C 1.267 178.855 177.584 0.006 0.000 1.076 117 A CA 0.881 52.920 52.037 0.004 0.000 0.773 117 A CB -0.171 18.830 19.000 0.002 0.000 1.010 117 A HN 2.737 nan 8.150 nan 0.000 0.493 118 G N 0.324 109.122 108.800 -0.003 0.000 2.624 118 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.190 118 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.190 118 G C 0.578 175.474 174.900 -0.006 0.000 1.008 118 G CA 0.338 45.438 45.100 0.001 0.000 0.731 118 G HN 1.283 nan 8.290 nan 0.000 0.478 119 L N -0.978 120.234 121.223 -0.017 0.000 2.547 119 L HA 0.597 4.937 4.340 -0.001 0.000 0.218 119 L C 1.068 177.882 176.870 -0.093 0.000 1.048 119 L CA 1.111 55.926 54.840 -0.040 0.000 0.859 119 L CB -1.303 40.744 42.059 -0.020 0.000 1.128 119 L HN 1.739 nan 8.230 nan 0.000 0.483 120 G N 0.381 109.118 108.800 -0.104 0.000 2.907 120 G HA2 0.108 4.067 3.960 -0.001 0.000 0.686 120 G HA3 0.108 4.067 3.960 -0.001 0.000 0.686 120 G C 0.018 174.785 174.900 -0.222 0.000 1.115 120 G CA -0.520 44.500 45.100 -0.135 0.000 0.760 120 G HN 0.633 nan 8.290 nan 0.000 0.620 121 G N -0.011 108.668 108.800 -0.202 0.000 2.432 121 G HA2 0.672 4.632 3.960 -0.001 0.000 0.257 121 G HA3 0.672 4.632 3.960 -0.001 0.000 0.257 121 G C -0.319 174.358 174.900 -0.371 0.000 1.238 121 G CA -0.309 44.623 45.100 -0.280 0.000 0.838 121 G HN 0.918 nan 8.290 nan 0.000 0.547 122 L N 0.771 121.631 121.223 -0.605 0.000 2.341 122 L HA 0.714 5.054 4.340 -0.001 0.000 0.267 122 L C -0.525 176.038 176.870 -0.513 0.000 1.009 122 L CA -1.122 53.318 54.840 -0.666 0.000 0.819 122 L CB 2.050 43.429 42.059 -1.133 0.000 1.323 122 L HN 0.484 nan 8.230 nan 0.000 0.425 123 L N 2.524 123.594 121.223 -0.255 0.000 2.409 123 L HA 0.603 4.942 4.340 -0.001 0.000 0.272 123 L C -1.584 175.275 176.870 -0.018 0.000 0.980 123 L CA -0.159 54.589 54.840 -0.153 0.000 0.826 123 L CB 1.697 43.546 42.059 -0.350 0.000 1.268 123 L HN 0.424 nan 8.230 nan 0.000 0.407 124 L N 4.320 125.561 121.223 0.030 0.000 2.264 124 L HA 0.580 4.919 4.340 -0.001 0.000 0.289 124 L C -0.197 176.600 176.870 -0.121 0.000 1.044 124 L CA -0.393 54.440 54.840 -0.012 0.000 0.807 124 L CB 1.626 43.666 42.059 -0.033 0.000 1.192 124 L HN 0.745 nan 8.230 nan 0.000 0.425 125 T N -0.204 114.270 114.554 -0.134 0.000 2.864 125 T HA 0.655 5.004 4.350 -0.001 0.000 0.310 125 T C -0.012 174.452 174.700 -0.392 0.000 1.040 125 T CA -0.668 61.224 62.100 -0.346 0.000 0.977 125 T CB 1.392 70.110 68.868 -0.250 0.000 0.976 125 T HN 0.605 nan 8.240 nan 0.000 0.459 126 G N 2.284 110.775 108.800 -0.515 0.000 2.441 126 G HA2 0.686 4.646 3.960 -0.001 0.000 0.334 126 G HA3 0.686 4.646 3.960 -0.001 0.000 0.334 126 G C -1.290 173.328 174.900 -0.469 0.000 1.161 126 G CA -0.870 44.058 45.100 -0.286 0.000 0.935 126 G HN 0.634 nan 8.290 nan 0.000 0.488 127 W N -1.113 120.192 121.300 0.008 0.000 3.018 127 W HA 0.266 4.926 4.660 -0.000 0.000 0.382 127 W C 1.046 177.471 176.519 -0.157 0.000 1.161 127 W CA 0.019 57.303 57.345 -0.103 0.000 1.144 127 W CB 1.242 30.637 29.460 -0.107 0.000 1.499 127 W HN 0.669 nan 8.180 nan 0.000 0.596 128 T N -2.350 112.168 114.554 -0.060 0.000 3.057 128 T HA 0.125 4.475 4.350 -0.001 0.000 0.254 128 T C 0.549 175.256 174.700 0.012 0.000 1.094 128 T CA 0.293 62.355 62.100 -0.063 0.000 1.088 128 T CB -0.199 68.635 68.868 -0.058 0.000 0.934 128 T HN 0.016 nan 8.240 nan 0.000 0.497 129 F N 3.046 123.141 119.950 0.241 0.000 2.545 129 F HA 0.291 4.818 4.527 -0.001 0.000 0.348 129 F C 0.874 176.738 175.800 0.107 0.000 1.163 129 F CA -0.949 57.121 58.000 0.117 0.000 1.331 129 F CB -0.279 38.721 39.000 -0.000 0.000 1.138 129 F HN 0.131 nan 8.300 nan 0.000 0.602 130 D N 1.730 122.290 120.400 0.266 0.000 2.697 130 D HA -0.261 4.378 4.640 -0.001 0.000 0.238 130 D C 0.231 176.609 176.300 0.130 0.000 1.152 130 D CA 0.708 54.805 54.000 0.161 0.000 0.666 130 D CB -0.735 40.152 40.800 0.144 0.000 1.037 130 D HN 0.746 nan 8.370 nan 0.000 0.423 131 R N -1.906 118.663 120.500 0.114 0.000 3.422 131 R HA -0.139 4.201 4.340 -0.001 0.000 0.267 131 R C 0.924 177.266 176.300 0.070 0.000 1.074 131 R CA 0.838 56.981 56.100 0.072 0.000 0.718 131 R CB -2.421 27.912 30.300 0.056 0.000 1.157 131 R HN 0.836 nan 8.270 nan 0.000 0.440 132 G N -0.932 107.921 108.800 0.089 0.000 2.326 132 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.286 132 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.286 132 G C 0.210 175.188 174.900 0.131 0.000 1.096 132 G CA 0.238 45.395 45.100 0.095 0.000 1.003 132 G HN 0.847 nan 8.290 nan 0.000 0.503 133 A N -0.815 122.111 122.820 0.177 0.000 2.322 133 A HA 0.751 5.071 4.320 -0.001 0.000 0.269 133 A C 0.714 178.427 177.584 0.214 0.000 1.094 133 A CA 0.321 52.468 52.037 0.183 0.000 0.807 133 A CB 1.271 20.390 19.000 0.198 0.000 1.047 133 A HN 1.924 nan 8.150 nan 0.000 0.487 134 C N 2.489 121.884 119.300 0.159 0.000 2.626 134 C HA 0.800 5.259 4.460 -0.001 0.000 0.310 134 C C -1.129 173.936 174.990 0.124 0.000 1.191 134 C CA -0.548 58.545 59.018 0.125 0.000 1.517 134 C CB 1.127 28.901 27.740 0.057 0.000 2.102 134 C HN 0.939 nan 8.230 nan 0.000 0.479 135 E N 4.231 124.511 120.200 0.132 0.000 2.317 135 E HA 0.571 4.921 4.350 -0.001 0.000 0.270 135 E C -1.414 175.230 176.600 0.074 0.000 0.885 135 E CA -0.579 55.889 56.400 0.113 0.000 0.760 135 E CB 1.640 31.432 29.700 0.153 0.000 1.227 135 E HN 0.425 nan 8.360 nan 0.000 0.434 136 V N 2.525 122.473 119.914 0.058 0.000 2.465 136 V HA 0.422 4.542 4.120 -0.001 0.000 0.279 136 V C 0.230 176.335 176.094 0.018 0.000 1.045 136 V CA -0.397 61.932 62.300 0.049 0.000 0.938 136 V CB 0.540 32.396 31.823 0.055 0.000 0.986 136 V HN 0.540 nan 8.190 nan 0.000 0.467 137 R N 4.297 124.788 120.500 -0.015 0.000 2.867 137 R HA 0.525 4.865 4.340 -0.001 0.000 0.268 137 R C -2.966 173.278 176.300 -0.093 0.000 1.014 137 R CA -2.160 53.918 56.100 -0.036 0.000 0.946 137 R CB 1.759 32.049 30.300 -0.017 0.000 1.208 137 R HN 0.355 nan 8.270 nan 0.000 0.477 138 P HA 0.014 nan 4.420 nan 0.000 0.276 138 P C -0.834 176.407 177.300 -0.099 0.000 1.243 138 P CA -0.427 62.613 63.100 -0.099 0.000 0.768 138 P CB 0.467 32.132 31.700 -0.058 0.000 0.856 139 L N 4.683 125.818 121.223 -0.145 0.000 2.600 139 L HA 0.366 4.706 4.340 -0.001 0.000 0.278 139 L C 0.988 177.875 176.870 0.028 0.000 1.139 139 L CA 1.515 56.279 54.840 -0.126 0.000 0.933 139 L CB -1.487 40.472 42.059 -0.167 0.000 1.266 139 L HN 0.741 nan 8.230 nan 0.000 0.471 140 G N 3.787 112.692 108.800 0.174 0.000 2.152 140 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.058 140 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.058 140 G C -0.457 174.547 174.900 0.173 0.000 0.966 140 G CA -0.355 44.866 45.100 0.202 0.000 1.149 140 G HN 0.662 nan 8.290 nan 0.000 0.402 141 N N 1.835 120.575 118.700 0.068 0.000 2.414 141 N HA 0.103 4.843 4.740 -0.001 0.000 0.268 141 N C 1.239 176.785 175.510 0.060 0.000 1.286 141 N CA -0.159 52.915 53.050 0.040 0.000 0.896 141 N CB 0.957 39.452 38.487 0.014 0.000 1.093 141 N HN 0.249 nan 8.380 nan 0.000 0.480 142 L N 2.893 124.155 121.223 0.065 0.000 2.376 142 L HA 0.022 4.361 4.340 -0.001 0.000 0.219 142 L C 1.960 178.853 176.870 0.038 0.000 1.133 142 L CA 1.013 55.895 54.840 0.070 0.000 0.816 142 L CB -0.937 41.162 42.059 0.067 0.000 0.933 142 L HN 0.519 nan 8.230 nan 0.000 0.449 143 S N -1.043 114.672 115.700 0.024 0.000 2.561 143 S HA 0.067 4.537 4.470 -0.001 0.000 0.225 143 S C 1.022 175.637 174.600 0.024 0.000 0.977 143 S CA 0.081 58.296 58.200 0.025 0.000 0.926 143 S CB -0.120 63.093 63.200 0.021 0.000 0.769 143 S HN 0.399 nan 8.310 nan 0.000 0.533 144 R N 2.140 122.653 120.500 0.022 0.000 2.649 144 R HA 0.252 4.592 4.340 -0.001 0.000 0.270 144 R C -0.130 176.181 176.300 0.019 0.000 1.105 144 R CA -0.424 55.685 56.100 0.015 0.000 1.193 144 R CB 0.197 30.503 30.300 0.008 0.000 1.120 144 R HN 0.192 nan 8.270 nan 0.000 0.561 145 N N 0.481 119.188 118.700 0.012 0.000 2.518 145 N HA 0.059 4.799 4.740 -0.001 0.000 0.283 145 N C -0.495 175.024 175.510 0.014 0.000 1.119 145 N CA -0.195 52.864 53.050 0.015 0.000 0.983 145 N CB 1.519 40.011 38.487 0.009 0.000 1.139 145 N HN 0.549 nan 8.380 nan 0.000 0.465 146 S N 0.962 116.677 115.700 0.025 0.000 2.565 146 S HA 0.242 4.711 4.470 -0.001 0.000 0.276 146 S C 1.547 176.157 174.600 0.017 0.000 1.326 146 S CA -0.697 57.520 58.200 0.029 0.000 1.045 146 S CB 0.652 63.884 63.200 0.055 0.000 0.918 146 S HN 0.451 nan 8.310 nan 0.000 0.505 147 L N 0.842 122.069 121.223 0.007 0.000 2.013 147 L HA 0.239 4.578 4.340 -0.001 0.000 0.204 147 L C 1.123 177.999 176.870 0.010 0.000 1.081 147 L CA 0.703 55.543 54.840 0.000 0.000 0.751 147 L CB -0.439 41.611 42.059 -0.015 0.000 0.901 147 L HN 0.488 nan 8.230 nan 0.000 0.440 148 R N 0.239 120.749 120.500 0.017 0.000 2.854 148 R HA 0.452 4.792 4.340 -0.001 0.000 0.271 148 R C -1.111 175.213 176.300 0.039 0.000 0.996 148 R CA -0.483 55.631 56.100 0.024 0.000 0.961 148 R CB 1.712 32.023 30.300 0.018 0.000 1.182 148 R HN 0.380 nan 8.270 nan 0.000 0.479 149 N N -1.145 117.581 118.700 0.043 0.000 2.598 149 N HA 0.698 5.437 4.740 -0.001 0.000 0.263 149 N C -1.414 174.129 175.510 0.055 0.000 1.254 149 N CA -0.893 52.193 53.050 0.061 0.000 0.863 149 N CB 2.169 40.703 38.487 0.077 0.000 1.586 149 N HN 0.631 nan 8.380 nan 0.000 0.491 150 G N -0.640 108.199 108.800 0.064 0.000 2.704 150 G HA2 0.642 4.601 3.960 -0.001 0.000 0.293 150 G HA3 0.642 4.601 3.960 -0.001 0.000 0.293 150 G C -0.996 173.944 174.900 0.067 0.000 1.421 150 G CA -0.541 44.592 45.100 0.054 0.000 0.870 150 G HN 0.866 nan 8.290 nan 0.000 0.492 151 T N -2.069 112.517 114.554 0.054 0.000 2.912 151 T HA 0.577 4.926 4.350 -0.001 0.000 0.280 151 T C 0.424 175.146 174.700 0.037 0.000 0.989 151 T CA 0.107 62.242 62.100 0.059 0.000 0.995 151 T CB 1.521 70.420 68.868 0.051 0.000 1.077 151 T HN 0.845 nan 8.240 nan 0.000 0.531 152 E N -1.153 119.071 120.200 0.041 0.000 2.883 152 E HA -0.192 4.158 4.350 -0.001 0.000 0.271 152 E C 0.872 177.480 176.600 0.013 0.000 1.049 152 E CA 0.470 56.871 56.400 0.002 0.000 0.817 152 E CB -1.917 27.739 29.700 -0.072 0.000 1.407 152 E HN 0.497 nan 8.360 nan 0.000 0.434 153 V N -0.495 119.471 119.914 0.087 0.000 2.535 153 V HA -0.033 4.087 4.120 -0.001 0.000 0.246 153 V C 1.104 177.339 176.094 0.234 0.000 1.045 153 V CA 1.256 63.624 62.300 0.114 0.000 1.058 153 V CB 0.502 32.376 31.823 0.084 0.000 0.689 153 V HN 0.116 nan 8.190 nan 0.000 0.461 154 V N -1.103 118.943 119.914 0.221 0.000 3.113 154 V HA 0.409 4.528 4.120 -0.001 0.000 0.316 154 V C 0.025 176.200 176.094 0.135 0.000 1.125 154 V CA -0.614 61.775 62.300 0.148 0.000 1.026 154 V CB 2.092 33.938 31.823 0.039 0.000 1.080 154 V HN 0.273 nan 8.190 nan 0.000 0.444 155 S N 0.796 116.429 115.700 -0.112 0.000 2.516 155 S HA -0.014 4.456 4.470 -0.001 0.000 0.282 155 S C 1.191 175.702 174.600 -0.148 0.000 1.286 155 S CA 0.028 58.121 58.200 -0.177 0.000 1.066 155 S CB 0.064 63.111 63.200 -0.255 0.000 0.884 155 S HN 1.084 nan 8.310 nan 0.000 0.491 156 c N 4.933 123.368 118.600 -0.274 0.000 2.562 156 c HA 0.335 4.905 4.570 -0.001 0.000 0.266 156 c C 0.729 174.681 174.090 -0.230 0.000 1.382 156 c CA -0.696 55.495 56.329 -0.231 0.000 1.742 156 c CB -1.655 40.732 42.510 -0.204 0.000 1.812 156 c HN 0.822 nan 8.230 nan 0.000 0.559 157 H N 1.627 120.691 119.070 -0.009 0.000 2.527 157 H HA 0.261 4.816 4.556 -0.001 0.000 0.321 157 H C -1.837 173.449 175.328 -0.069 0.000 1.087 157 H CA -2.222 53.802 56.048 -0.040 0.000 1.337 157 H CB 0.621 30.326 29.762 -0.094 0.000 1.440 157 H HN 0.070 nan 8.280 nan 0.000 0.490 158 P HA -0.169 nan 4.420 nan 0.000 0.216 158 P C 1.542 178.798 177.300 -0.072 0.000 1.150 158 P CA 1.382 64.409 63.100 -0.121 0.000 0.837 158 P CB 0.430 31.997 31.700 -0.222 0.000 0.786 159 Q N -0.462 119.331 119.800 -0.012 0.000 2.425 159 Q HA 0.113 4.452 4.340 -0.001 0.000 0.204 159 Q C 0.937 176.958 176.000 0.034 0.000 0.933 159 Q CA 0.570 56.397 55.803 0.040 0.000 0.939 159 Q CB -0.868 27.917 28.738 0.078 0.000 1.044 159 Q HN 0.021 nan 8.270 nan 0.000 0.513 160 G N 2.127 110.901 108.800 -0.044 0.000 2.442 160 G HA2 0.277 4.237 3.960 -0.001 0.000 0.249 160 G HA3 0.277 4.237 3.960 -0.001 0.000 0.249 160 G C -0.166 174.742 174.900 0.014 0.000 1.263 160 G CA 0.138 45.171 45.100 -0.112 0.000 0.846 160 G HN 0.347 nan 8.290 nan 0.000 0.555 161 S N 0.376 116.113 115.700 0.062 0.000 2.603 161 S HA 0.714 5.184 4.470 -0.001 0.000 0.268 161 S C -0.024 174.534 174.600 -0.070 0.000 1.317 161 S CA -0.298 57.890 58.200 -0.020 0.000 1.012 161 S CB 1.560 64.575 63.200 -0.309 0.000 0.926 161 S HN 0.661 nan 8.310 nan 0.000 0.539 162 T N 1.099 115.623 114.554 -0.049 0.000 3.291 162 T HA 0.673 5.022 4.350 -0.001 0.000 0.344 162 T C -1.231 173.480 174.700 0.019 0.000 1.293 162 T CA -0.359 61.709 62.100 -0.053 0.000 1.108 162 T CB 1.362 70.186 68.868 -0.075 0.000 1.231 162 T HN 1.280 nan 8.240 nan 0.000 0.474 163 A N 1.851 124.687 122.820 0.027 0.000 2.437 163 A HA 0.922 5.242 4.320 -0.001 0.000 0.293 163 A C -0.227 177.418 177.584 0.101 0.000 1.038 163 A CA -0.505 51.593 52.037 0.100 0.000 0.708 163 A CB 1.555 20.664 19.000 0.182 0.000 1.251 163 A HN 1.158 nan 8.150 nan 0.000 0.409 164 G N -0.433 108.422 108.800 0.092 0.000 2.619 164 G HA2 0.781 4.741 3.960 -0.001 0.000 0.296 164 G HA3 0.781 4.741 3.960 -0.001 0.000 0.296 164 G C -1.564 173.382 174.900 0.076 0.000 1.334 164 G CA -0.481 44.676 45.100 0.094 0.000 0.934 164 G HN 1.863 nan 8.290 nan 0.000 0.476 165 V N 0.448 120.410 119.914 0.080 0.000 2.969 165 V HA 0.646 4.766 4.120 -0.001 0.000 0.304 165 V C -1.005 175.181 176.094 0.154 0.000 1.192 165 V CA -0.584 61.768 62.300 0.086 0.000 0.962 165 V CB 2.017 33.863 31.823 0.039 0.000 1.045 165 V HN 0.706 nan 8.190 nan 0.000 0.428 166 V N 7.445 127.445 119.914 0.143 0.000 2.567 166 V HA 0.632 4.751 4.120 -0.001 0.000 0.289 166 V C -0.337 175.959 176.094 0.337 0.000 1.049 166 V CA 0.058 62.461 62.300 0.171 0.000 0.969 166 V CB 1.167 32.964 31.823 -0.042 0.000 0.995 166 V HN 1.024 nan 8.190 nan 0.000 0.471 167 Y N 2.843 123.212 120.300 0.114 0.000 2.715 167 Y HA 0.843 5.392 4.550 -0.001 0.000 0.331 167 Y C -0.640 175.229 175.900 -0.052 0.000 1.197 167 Y CA -1.643 56.478 58.100 0.034 0.000 1.079 167 Y CB 1.451 39.919 38.460 0.014 0.000 1.298 167 Y HN 0.313 nan 8.280 nan 0.000 0.477 168 R N 1.450 121.833 120.500 -0.195 0.000 2.562 168 R HA 0.898 5.237 4.340 -0.001 0.000 0.298 168 R C -1.190 175.049 176.300 -0.100 0.000 0.961 168 R CA -0.860 55.026 56.100 -0.356 0.000 0.881 168 R CB 1.602 31.622 30.300 -0.465 0.000 1.159 168 R HN 1.048 nan 8.270 nan 0.000 0.450 169 A N 0.269 123.060 122.820 -0.049 0.000 2.601 169 A HA 0.792 5.112 4.320 -0.001 0.000 0.291 169 A C -0.375 177.249 177.584 0.066 0.000 1.075 169 A CA -0.141 51.914 52.037 0.029 0.000 0.671 169 A CB 1.735 20.758 19.000 0.038 0.000 1.277 169 A HN 0.978 nan 8.150 nan 0.000 0.417 170 G N -0.208 108.605 108.800 0.022 0.000 2.631 170 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.504 170 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.504 170 G C 0.311 175.220 174.900 0.015 0.000 1.306 170 G CA 0.265 45.387 45.100 0.037 0.000 0.897 170 G HN 0.988 nan 8.290 nan 0.000 0.520 171 R N -0.182 120.329 120.500 0.018 0.000 2.066 171 R HA -0.033 4.307 4.340 -0.001 0.000 0.232 171 R C 2.171 178.472 176.300 0.002 0.000 1.131 171 R CA 1.866 57.970 56.100 0.007 0.000 0.955 171 R CB -0.289 30.017 30.300 0.010 0.000 0.851 171 R HN 0.475 nan 8.270 nan 0.000 0.432 172 N N 0.420 119.126 118.700 0.010 0.000 2.461 172 N HA -0.055 4.684 4.740 -0.001 0.000 0.188 172 N C -0.435 175.062 175.510 -0.023 0.000 1.134 172 N CA 0.189 53.240 53.050 0.001 0.000 0.878 172 N CB 0.016 38.510 38.487 0.012 0.000 0.972 172 N HN 0.123 nan 8.380 nan 0.000 0.456 173 N N 0.607 119.288 118.700 -0.032 0.000 2.746 173 N HA -0.204 4.536 4.740 -0.001 0.000 0.250 173 N C -1.006 174.400 175.510 -0.173 0.000 1.055 173 N CA 0.319 53.313 53.050 -0.093 0.000 0.699 173 N CB -0.679 37.739 38.487 -0.114 0.000 0.919 173 N HN 0.280 nan 8.380 nan 0.000 0.548 174 R N -0.578 119.864 120.500 -0.097 0.000 2.637 174 R HA 0.263 4.602 4.340 -0.001 0.000 0.269 174 R C -0.121 175.989 176.300 -0.316 0.000 1.089 174 R CA -0.143 55.865 56.100 -0.153 0.000 1.177 174 R CB 0.421 30.641 30.300 -0.133 0.000 1.091 174 R HN 0.215 nan 8.270 nan 0.000 0.540 175 W N 1.200 122.331 121.300 -0.283 0.000 2.335 175 W HA 0.241 4.901 4.660 -0.001 0.000 0.306 175 W C -0.510 175.647 176.519 -0.603 0.000 1.216 175 W CA 0.117 57.279 57.345 -0.304 0.000 1.237 175 W CB 0.254 29.657 29.460 -0.095 0.000 1.243 175 W HN 0.362 nan 8.180 nan 0.000 0.493 176 Y N 2.769 122.851 120.300 -0.363 0.000 2.536 176 Y HA 0.564 5.113 4.550 -0.001 0.000 0.347 176 Y C -0.496 175.224 175.900 -0.299 0.000 1.000 176 Y CA -1.472 56.356 58.100 -0.453 0.000 1.051 176 Y CB 1.755 39.726 38.460 -0.815 0.000 1.259 176 Y HN 0.190 nan 8.280 nan 0.000 0.468 177 L N 2.474 123.780 121.223 0.139 0.000 2.322 177 L HA 0.919 5.258 4.340 -0.001 0.000 0.281 177 L C -0.909 176.159 176.870 0.330 0.000 1.014 177 L CA -0.490 54.462 54.840 0.187 0.000 0.815 177 L CB 1.264 43.342 42.059 0.032 0.000 1.247 177 L HN 0.660 nan 8.230 nan 0.000 0.421 178 A N 5.363 128.386 122.820 0.338 0.000 2.287 178 A HA 0.754 5.074 4.320 -0.001 0.000 0.317 178 A C -1.220 176.486 177.584 0.203 0.000 1.220 178 A CA -0.509 51.683 52.037 0.257 0.000 0.835 178 A CB 0.996 20.119 19.000 0.206 0.000 1.180 178 A HN 0.537 nan 8.150 nan 0.000 0.500 179 V N 1.661 121.634 119.914 0.098 0.000 2.540 179 V HA 0.736 4.856 4.120 -0.001 0.000 0.302 179 V C 0.314 176.302 176.094 -0.176 0.000 1.035 179 V CA -0.425 61.893 62.300 0.031 0.000 0.873 179 V CB 1.508 33.371 31.823 0.066 0.000 0.992 179 V HN 1.150 nan 8.190 nan 0.000 0.428 180 A N 3.719 126.332 122.820 -0.345 0.000 2.304 180 A HA 0.978 5.298 4.320 -0.001 0.000 0.314 180 A C -0.103 177.178 177.584 -0.506 0.000 1.187 180 A CA -0.072 51.447 52.037 -0.863 0.000 0.810 180 A CB 1.144 19.053 19.000 -1.818 0.000 1.183 180 A HN 1.511 nan 8.150 nan 0.000 0.487 181 A N 1.481 124.042 122.820 -0.431 0.000 2.594 181 A HA 0.787 5.106 4.320 -0.001 0.000 0.291 181 A C -0.215 177.138 177.584 -0.384 0.000 1.105 181 A CA -0.488 51.258 52.037 -0.485 0.000 0.694 181 A CB 0.958 19.330 19.000 -1.047 0.000 1.291 181 A HN 0.680 nan 8.150 nan 0.000 0.410 182 T N 2.200 116.607 114.554 -0.245 0.000 3.364 182 T HA 0.272 4.622 4.350 -0.001 0.000 0.323 182 T C 0.166 174.794 174.700 -0.119 0.000 1.323 182 T CA 0.464 62.498 62.100 -0.109 0.000 1.073 182 T CB -0.824 67.993 68.868 -0.085 0.000 1.150 182 T HN 0.485 nan 8.240 nan 0.000 0.727 183 Y N 1.372 121.684 120.300 0.020 0.000 2.314 183 Y HA 0.106 4.655 4.550 -0.001 0.000 0.293 183 Y C 1.297 177.245 175.900 0.080 0.000 1.129 183 Y CA 0.170 58.260 58.100 -0.016 0.000 1.201 183 Y CB 0.229 38.664 38.460 -0.042 0.000 0.999 183 Y HN 0.256 nan 8.280 nan 0.000 0.541 184 V N 2.356 122.388 119.914 0.198 0.000 2.384 184 V HA 0.380 4.500 4.120 -0.001 0.000 0.287 184 V C -0.412 175.682 176.094 -0.000 0.000 1.020 184 V CA -0.804 61.565 62.300 0.116 0.000 0.850 184 V CB 1.457 33.187 31.823 -0.156 0.000 0.987 184 V HN 0.043 nan 8.190 nan 0.000 0.436 185 L N 5.911 127.064 121.223 -0.117 0.000 2.409 185 L HA 0.535 4.874 4.340 -0.001 0.000 0.262 185 L C -2.646 174.081 176.870 -0.240 0.000 0.992 185 L CA -1.995 52.648 54.840 -0.327 0.000 0.817 185 L CB 3.202 44.829 42.059 -0.720 0.000 1.350 185 L HN 0.384 nan 8.230 nan 0.000 0.411 186 P HA 0.037 nan 4.420 nan 0.000 0.260 186 P C -1.393 175.855 177.300 -0.087 0.000 1.207 186 P CA 0.191 63.246 63.100 -0.074 0.000 0.780 186 P CB 0.082 31.754 31.700 -0.047 0.000 0.789 187 E N 4.832 125.006 120.200 -0.044 0.000 2.234 187 E HA 0.382 4.732 4.350 -0.001 0.000 0.266 187 E C -1.806 174.801 176.600 0.011 0.000 0.877 187 E CA -1.855 54.535 56.400 -0.017 0.000 0.758 187 E CB 1.051 30.759 29.700 0.015 0.000 1.170 187 E HN 0.225 nan 8.360 nan 0.000 0.415 188 P HA -0.057 nan 4.420 nan 0.000 0.203 188 P C -0.272 177.043 177.300 0.026 0.000 1.211 188 P CA 0.691 63.802 63.100 0.019 0.000 0.913 188 P CB 0.012 31.723 31.700 0.018 0.000 0.745 189 E N 0.607 120.826 120.200 0.031 0.000 2.415 189 E HA 0.054 4.403 4.350 -0.001 0.000 0.263 189 E C 0.869 177.493 176.600 0.040 0.000 0.995 189 E CA 0.390 56.810 56.400 0.034 0.000 0.915 189 E CB 0.280 30.002 29.700 0.037 0.000 0.951 189 E HN 0.244 nan 8.360 nan 0.000 0.449 190 T N 1.356 115.931 114.554 0.035 0.000 3.148 190 T HA 0.059 4.409 4.350 -0.001 0.000 0.253 190 T C 1.474 176.197 174.700 0.039 0.000 1.134 190 T CA 0.597 62.720 62.100 0.038 0.000 1.051 190 T CB 0.273 69.158 68.868 0.029 0.000 0.959 190 T HN 0.501 nan 8.240 nan 0.000 0.525 191 A N 1.160 124.003 122.820 0.038 0.000 2.014 191 A HA 0.056 4.376 4.320 -0.001 0.000 0.218 191 A C 2.401 180.013 177.584 0.048 0.000 1.163 191 A CA 1.152 53.212 52.037 0.038 0.000 0.652 191 A CB -0.246 18.775 19.000 0.034 0.000 0.808 191 A HN 0.425 nan 8.150 nan 0.000 0.449 192 S N -1.567 114.169 115.700 0.059 0.000 2.514 192 S HA 0.146 4.615 4.470 -0.001 0.000 0.223 192 S C 0.906 175.557 174.600 0.084 0.000 1.046 192 S CA -0.540 57.705 58.200 0.075 0.000 0.914 192 S CB -0.112 63.139 63.200 0.086 0.000 0.807 192 S HN 0.608 nan 8.310 nan 0.000 0.497 193 R N 2.113 122.660 120.500 0.078 0.000 3.958 193 R HA -0.186 4.153 4.340 -0.001 0.000 0.186 193 R C 0.580 176.935 176.300 0.092 0.000 0.520 193 R CA 0.856 57.008 56.100 0.087 0.000 0.917 193 R CB -0.635 29.705 30.300 0.067 0.000 1.014 193 R HN 0.608 nan 8.270 nan 0.000 0.296 194 c N 1.814 120.487 118.600 0.121 0.000 3.336 194 c HA 0.312 4.882 4.570 -0.001 0.000 0.291 194 c C 0.280 174.418 174.090 0.080 0.000 1.363 194 c CA -1.138 55.243 56.329 0.087 0.000 1.737 194 c CB -0.629 41.919 42.510 0.063 0.000 2.274 194 c HN 0.647 nan 8.230 nan 0.000 0.663 195 N N 4.013 122.798 118.700 0.142 0.000 2.412 195 N HA 0.227 4.967 4.740 -0.001 0.000 0.254 195 N C -1.991 173.569 175.510 0.084 0.000 1.232 195 N CA -0.548 52.589 53.050 0.145 0.000 0.880 195 N CB 0.466 39.057 38.487 0.173 0.000 1.076 195 N HN 0.488 nan 8.380 nan 0.000 0.458 196 P HA 0.042 nan 4.420 nan 0.000 0.271 196 P C -0.553 176.770 177.300 0.038 0.000 1.244 196 P CA -0.358 62.743 63.100 0.002 0.000 0.793 196 P CB 0.420 32.069 31.700 -0.084 0.000 0.984 197 A N 1.062 123.891 122.820 0.015 0.000 2.475 197 A HA 0.293 4.612 4.320 -0.001 0.000 0.239 197 A C 1.861 179.475 177.584 0.049 0.000 1.087 197 A CA 0.482 52.535 52.037 0.025 0.000 0.779 197 A CB -0.792 18.210 19.000 0.003 0.000 1.036 197 A HN 0.609 nan 8.150 nan 0.000 0.506 198 A N 0.592 123.432 122.820 0.033 0.000 1.948 198 A HA -0.090 4.229 4.320 -0.001 0.000 0.220 198 A C 2.292 179.896 177.584 0.033 0.000 1.177 198 A CA 2.415 54.465 52.037 0.020 0.000 0.636 198 A CB -0.924 18.061 19.000 -0.027 0.000 0.815 198 A HN 0.873 nan 8.150 nan 0.000 0.449 199 S N -0.245 115.463 115.700 0.013 0.000 2.481 199 S HA -0.054 4.415 4.470 -0.001 0.000 0.231 199 S C 0.694 175.298 174.600 0.006 0.000 0.996 199 S CA 1.074 59.276 58.200 0.004 0.000 0.942 199 S CB -0.125 63.069 63.200 -0.010 0.000 0.768 199 S HN 0.609 nan 8.310 nan 0.000 0.520 200 D N -0.498 119.908 120.400 0.010 0.000 2.431 200 D HA 0.067 4.707 4.640 -0.001 0.000 0.213 200 D C 1.151 177.456 176.300 0.008 0.000 1.130 200 D CA -0.038 53.946 54.000 -0.026 0.000 0.834 200 D CB -0.172 40.576 40.800 -0.086 0.000 0.985 200 D HN 0.407 nan 8.370 nan 0.000 0.504 201 H N 1.990 121.044 119.070 -0.028 0.000 2.422 201 H HA -0.117 4.439 4.556 -0.001 0.000 0.298 201 H C 0.731 176.067 175.328 0.013 0.000 1.098 201 H CA 1.529 57.576 56.048 -0.002 0.000 1.315 201 H CB 0.597 30.357 29.762 -0.003 0.000 1.382 201 H HN 0.133 nan 8.280 nan 0.000 0.523 202 D N 0.240 120.675 120.400 0.059 0.000 2.349 202 D HA -0.045 4.594 4.640 -0.001 0.000 0.214 202 D C 0.312 176.620 176.300 0.014 0.000 1.063 202 D CA -0.020 53.993 54.000 0.022 0.000 0.847 202 D CB -0.606 40.225 40.800 0.052 0.000 0.933 202 D HN 0.227 nan 8.370 nan 0.000 0.513 203 T N -2.135 112.418 114.554 -0.002 0.000 2.834 203 T HA 0.557 4.906 4.350 -0.001 0.000 0.298 203 T C 0.914 175.686 174.700 0.119 0.000 0.966 203 T CA -0.214 61.886 62.100 0.001 0.000 1.141 203 T CB 1.969 70.781 68.868 -0.093 0.000 0.905 203 T HN 0.112 nan 8.240 nan 0.000 0.535 204 A N 3.991 126.874 122.820 0.105 0.000 1.969 204 A HA 0.524 4.844 4.320 -0.001 0.000 0.205 204 A C 0.788 178.351 177.584 -0.035 0.000 1.364 204 A CA -0.124 52.012 52.037 0.165 0.000 0.756 204 A CB 0.252 19.406 19.000 0.256 0.000 0.988 204 A HN 0.829 nan 8.150 nan 0.000 0.490 205 I N 0.074 120.513 120.570 -0.219 0.000 2.465 205 I HA 0.633 4.803 4.170 -0.001 0.000 0.291 205 I C -0.315 175.679 176.117 -0.205 0.000 1.014 205 I CA -0.697 60.353 61.300 -0.417 0.000 1.093 205 I CB 1.996 39.504 38.000 -0.820 0.000 1.267 205 I HN 0.235 nan 8.210 nan 0.000 0.431 206 A N 6.994 129.746 122.820 -0.114 0.000 2.414 206 A HA 0.843 5.163 4.320 -0.001 0.000 0.306 206 A C -1.048 176.539 177.584 0.006 0.000 1.054 206 A CA -0.554 51.452 52.037 -0.051 0.000 0.724 206 A CB 1.455 20.433 19.000 -0.037 0.000 1.267 206 A HN 0.687 nan 8.150 nan 0.000 0.418 207 L N 2.729 123.969 121.223 0.029 0.000 2.282 207 L HA 0.463 4.802 4.340 -0.001 0.000 0.288 207 L C -0.211 176.746 176.870 0.145 0.000 1.033 207 L CA -0.711 54.199 54.840 0.116 0.000 0.807 207 L CB 1.360 43.472 42.059 0.089 0.000 1.209 207 L HN 0.583 nan 8.230 nan 0.000 0.423 208 K N 2.146 122.669 120.400 0.205 0.000 2.259 208 K HA 0.347 4.667 4.320 -0.001 0.000 0.252 208 K C -1.061 175.681 176.600 0.237 0.000 0.936 208 K CA -0.766 55.624 56.287 0.173 0.000 0.810 208 K CB 2.541 35.099 32.500 0.095 0.000 1.143 208 K HN 0.438 nan 8.250 nan 0.000 0.427 209 D N 2.081 122.573 120.400 0.153 0.000 2.313 209 D HA 0.031 4.671 4.640 -0.001 0.000 0.239 209 D C 0.765 177.005 176.300 -0.099 0.000 1.142 209 D CA -0.122 53.839 54.000 -0.065 0.000 0.847 209 D CB 1.318 42.125 40.800 0.011 0.000 1.082 209 D HN 0.596 nan 8.370 nan 0.000 0.480 210 T N 1.357 115.812 114.554 -0.166 0.000 2.867 210 T HA -0.119 4.231 4.350 -0.001 0.000 0.268 210 T C 1.167 175.843 174.700 -0.040 0.000 1.057 210 T CA 0.797 62.855 62.100 -0.069 0.000 1.136 210 T CB 0.153 69.000 68.868 -0.035 0.000 0.874 210 T HN 0.357 nan 8.240 nan 0.000 0.466 211 E N 1.486 121.643 120.200 -0.072 0.000 2.385 211 E HA 0.199 4.549 4.350 -0.001 0.000 0.194 211 E C 1.373 177.957 176.600 -0.028 0.000 1.013 211 E CA 0.161 56.537 56.400 -0.040 0.000 0.866 211 E CB -0.261 29.413 29.700 -0.042 0.000 0.832 211 E HN 0.662 nan 8.360 nan 0.000 0.500 212 G N 1.967 110.748 108.800 -0.032 0.000 2.569 212 G HA2 0.186 4.146 3.960 -0.001 0.000 0.249 212 G HA3 0.186 4.146 3.960 -0.001 0.000 0.249 212 G C 0.070 174.973 174.900 0.004 0.000 1.216 212 G CA -0.538 44.559 45.100 -0.005 0.000 0.845 212 G HN 0.107 nan 8.290 nan 0.000 0.568 213 R N -0.193 120.313 120.500 0.010 0.000 2.491 213 R HA 0.383 4.723 4.340 -0.001 0.000 0.283 213 R C 0.546 176.856 176.300 0.016 0.000 1.072 213 R CA 0.627 56.734 56.100 0.012 0.000 1.048 213 R CB 0.460 30.767 30.300 0.011 0.000 0.983 213 R HN 0.492 nan 8.270 nan 0.000 0.450 214 S N 2.612 118.324 115.700 0.020 0.000 3.476 214 S HA -0.168 4.302 4.470 -0.001 0.000 0.309 214 S C 0.321 174.936 174.600 0.025 0.000 1.222 214 S CA 0.954 59.168 58.200 0.023 0.000 0.922 214 S CB -1.627 61.584 63.200 0.019 0.000 1.023 214 S HN 0.754 nan 8.310 nan 0.000 0.591 215 L N -2.789 118.449 121.223 0.024 0.000 3.742 215 L HA -0.291 4.048 4.340 -0.001 0.000 0.431 215 L C 0.855 177.745 176.870 0.033 0.000 1.220 215 L CA 0.212 55.068 54.840 0.026 0.000 0.863 215 L CB -2.484 39.593 42.059 0.031 0.000 1.751 215 L HN 0.764 nan 8.230 nan 0.000 0.922 216 A N 0.005 122.843 122.820 0.031 0.000 2.603 216 A HA 0.294 4.614 4.320 -0.001 0.000 0.235 216 A C 0.877 178.489 177.584 0.048 0.000 1.035 216 A CA 1.210 53.267 52.037 0.033 0.000 0.755 216 A CB -0.009 19.010 19.000 0.032 0.000 0.954 216 A HN 0.343 nan 8.150 nan 0.000 0.511 217 T N 3.304 117.874 114.554 0.026 0.000 2.779 217 T HA 0.449 4.799 4.350 -0.001 0.000 0.280 217 T C 0.079 174.786 174.700 0.012 0.000 0.987 217 T CA -0.237 61.877 62.100 0.023 0.000 0.966 217 T CB 1.330 70.193 68.868 -0.010 0.000 0.933 217 T HN 0.761 nan 8.240 nan 0.000 0.442 218 Q N 1.337 121.147 119.800 0.017 0.000 2.396 218 Q HA 0.210 4.550 4.340 -0.001 0.000 0.221 218 Q C 1.502 177.495 176.000 -0.010 0.000 1.025 218 Q CA -0.020 55.787 55.803 0.006 0.000 0.946 218 Q CB 0.568 29.311 28.738 0.008 0.000 1.224 218 Q HN 0.782 nan 8.270 nan 0.000 0.539 219 E N 0.783 120.976 120.200 -0.011 0.000 2.058 219 E HA -0.165 4.185 4.350 -0.001 0.000 0.194 219 E C 0.574 177.160 176.600 -0.023 0.000 0.997 219 E CA 1.033 57.423 56.400 -0.017 0.000 0.801 219 E CB 0.026 29.718 29.700 -0.013 0.000 0.746 219 E HN 0.605 nan 8.360 nan 0.000 0.450 220 L N 0.056 121.265 121.223 -0.022 0.000 2.728 220 L HA 0.234 4.574 4.340 -0.001 0.000 0.235 220 L C 1.253 178.100 176.870 -0.038 0.000 1.197 220 L CA 0.062 54.885 54.840 -0.028 0.000 0.992 220 L CB 0.608 42.653 42.059 -0.024 0.000 1.263 220 L HN 0.102 nan 8.230 nan 0.000 0.484 221 G N 1.220 109.998 108.800 -0.037 0.000 3.702 221 G HA2 0.226 4.186 3.960 -0.001 0.000 0.288 221 G HA3 0.226 4.186 3.960 -0.001 0.000 0.288 221 G C 0.353 175.222 174.900 -0.050 0.000 1.193 221 G CA -0.323 44.752 45.100 -0.041 0.000 0.952 221 G HN 0.352 nan 8.290 nan 0.000 0.544 222 R N -1.058 119.404 120.500 -0.063 0.000 2.698 222 R HA 0.697 5.036 4.340 -0.001 0.000 0.275 222 R C -2.118 174.120 176.300 -0.102 0.000 1.001 222 R CA -1.085 54.964 56.100 -0.084 0.000 0.896 222 R CB 1.569 31.824 30.300 -0.075 0.000 1.218 222 R HN 0.006 nan 8.270 nan 0.000 0.462 223 L N 1.781 122.918 121.223 -0.145 0.000 2.307 223 L HA 0.515 4.854 4.340 -0.001 0.000 0.284 223 L C -1.089 175.722 176.870 -0.099 0.000 1.023 223 L CA -0.398 54.335 54.840 -0.179 0.000 0.810 223 L CB 1.491 43.347 42.059 -0.339 0.000 1.231 223 L HN 0.606 nan 8.230 nan 0.000 0.423 224 K N 4.203 124.573 120.400 -0.051 0.000 2.118 224 K HA 0.622 4.942 4.320 -0.001 0.000 0.254 224 K C -0.988 175.665 176.600 0.088 0.000 0.961 224 K CA -0.341 55.953 56.287 0.011 0.000 0.876 224 K CB 1.307 33.802 32.500 -0.010 0.000 1.077 224 K HN 0.480 nan 8.250 nan 0.000 0.440 225 L N 1.237 122.500 121.223 0.068 0.000 2.371 225 L HA 0.231 4.571 4.340 -0.001 0.000 0.272 225 L C -0.245 176.589 176.870 -0.059 0.000 1.124 225 L CA -0.596 54.249 54.840 0.008 0.000 0.816 225 L CB 0.916 42.964 42.059 -0.017 0.000 1.129 225 L HN 0.618 nan 8.230 nan 0.000 0.448 226 c N 2.568 121.081 118.600 -0.145 0.000 2.593 226 c HA 0.095 4.665 4.570 -0.001 0.000 0.409 226 c C 0.844 174.862 174.090 -0.120 0.000 1.304 226 c CA -0.498 55.747 56.329 -0.140 0.000 2.007 226 c CB -0.089 42.295 42.510 -0.209 0.000 2.614 226 c HN 0.736 nan 8.230 nan 0.000 0.585 227 E N 1.308 121.457 120.200 -0.085 0.000 2.422 227 E HA 0.303 4.652 4.350 -0.001 0.000 0.260 227 E C 1.347 177.900 176.600 -0.077 0.000 1.108 227 E CA 0.904 57.270 56.400 -0.056 0.000 0.943 227 E CB 0.357 30.033 29.700 -0.039 0.000 0.961 227 E HN 1.006 nan 8.360 nan 0.000 0.443 228 G N 2.359 111.130 108.800 -0.048 0.000 2.238 228 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.270 228 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.270 228 G C 0.917 175.773 174.900 -0.073 0.000 0.977 228 G CA 0.921 45.989 45.100 -0.054 0.000 0.639 228 G HN 0.736 nan 8.290 nan 0.000 0.544 229 A N 0.019 122.778 122.820 -0.101 0.000 2.239 229 A HA 0.528 4.847 4.320 -0.001 0.000 0.209 229 A C 2.469 180.013 177.584 -0.066 0.000 1.171 229 A CA 1.763 53.732 52.037 -0.114 0.000 0.768 229 A CB -0.645 18.251 19.000 -0.174 0.000 0.790 229 A HN 2.655 nan 8.150 nan 0.000 0.478 230 G N -1.198 107.574 108.800 -0.048 0.000 2.512 230 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.240 230 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.240 230 G C 0.029 174.921 174.900 -0.013 0.000 1.246 230 G CA -0.149 44.936 45.100 -0.024 0.000 0.919 230 G HN 0.893 nan 8.290 nan 0.000 0.577 231 S N -0.775 114.940 115.700 0.025 0.000 2.638 231 S HA 0.755 5.225 4.470 -0.001 0.000 0.298 231 S C -0.561 174.059 174.600 0.033 0.000 1.111 231 S CA -0.504 57.740 58.200 0.074 0.000 1.027 231 S CB 1.594 64.957 63.200 0.272 0.000 1.064 231 S HN 0.722 nan 8.310 nan 0.000 0.525 232 L N 2.212 123.404 121.223 -0.051 0.000 2.322 232 L HA 0.424 4.763 4.340 -0.001 0.000 0.281 232 L C -0.603 176.073 176.870 -0.323 0.000 1.014 232 L CA -0.323 54.358 54.840 -0.265 0.000 0.815 232 L CB 1.182 42.885 42.059 -0.593 0.000 1.247 232 L HN 0.716 nan 8.230 nan 0.000 0.421 233 H N 3.620 122.401 119.070 -0.482 0.000 2.623 233 H HA 0.456 5.012 4.556 -0.001 0.000 0.299 233 H C -1.107 173.929 175.328 -0.487 0.000 1.052 233 H CA -0.374 55.384 56.048 -0.483 0.000 1.231 233 H CB 0.289 29.545 29.762 -0.844 0.000 1.389 233 H HN 0.354 nan 8.280 nan 0.000 0.469 234 F N 4.489 124.180 119.950 -0.433 0.000 2.412 234 F HA 0.104 4.631 4.527 -0.001 0.000 0.348 234 F C 0.976 176.597 175.800 -0.298 0.000 1.102 234 F CA -0.354 57.530 58.000 -0.193 0.000 1.196 234 F CB 1.133 40.084 39.000 -0.082 0.000 1.144 234 F HN 0.374 nan 8.300 nan 0.000 0.541 235 V N 0.147 120.171 119.914 0.183 0.000 2.672 235 V HA 0.049 4.169 4.120 -0.001 0.000 0.242 235 V C 0.045 176.308 176.094 0.282 0.000 1.059 235 V CA 0.997 63.413 62.300 0.194 0.000 1.081 235 V CB -0.037 31.965 31.823 0.300 0.000 0.752 235 V HN 0.765 nan 8.190 nan 0.000 0.472 236 D N -1.691 118.911 120.400 0.336 0.000 2.677 236 D HA 0.687 5.327 4.640 -0.001 0.000 0.298 236 D C -1.563 174.888 176.300 0.251 0.000 1.250 236 D CA 0.154 54.351 54.000 0.329 0.000 0.888 236 D CB 2.207 43.266 40.800 0.432 0.000 1.397 236 D HN 0.212 nan 8.370 nan 0.000 0.461 237 A N 0.812 123.731 122.820 0.165 0.000 2.456 237 A HA 0.649 4.968 4.320 -0.001 0.000 0.288 237 A C -1.591 175.982 177.584 -0.018 0.000 1.042 237 A CA -0.699 51.230 52.037 -0.179 0.000 0.738 237 A CB 0.230 19.129 19.000 -0.168 0.000 1.266 237 A HN 0.571 nan 8.150 nan 0.000 0.407 238 F N 0.706 120.535 119.950 -0.203 0.000 2.645 238 F HA 0.873 5.399 4.527 -0.001 0.000 0.310 238 F C -1.792 174.013 175.800 0.008 0.000 1.102 238 F CA -1.555 56.424 58.000 -0.035 0.000 0.952 238 F CB 0.780 39.825 39.000 0.075 0.000 1.326 238 F HN 0.319 nan 8.300 nan 0.000 0.456 239 L N 1.992 123.422 121.223 0.345 0.000 2.357 239 L HA 0.397 4.737 4.340 -0.001 0.000 0.273 239 L C -0.396 176.801 176.870 0.545 0.000 1.080 239 L CA 0.110 55.120 54.840 0.283 0.000 0.803 239 L CB 1.374 43.547 42.059 0.190 0.000 1.174 239 L HN 0.995 nan 8.230 nan 0.000 0.443 240 W N 1.562 123.029 121.300 0.279 0.000 5.056 240 W HA 0.213 4.873 4.660 -0.001 0.000 0.174 240 W C -0.134 176.486 176.519 0.169 0.000 2.712 240 W CA 0.051 57.552 57.345 0.261 0.000 2.038 240 W CB 0.233 29.865 29.460 0.286 0.000 1.247 240 W HN 0.468 nan 8.180 nan 0.000 0.926 241 N N 0.282 118.783 118.700 -0.331 0.000 2.752 241 N HA 0.394 5.133 4.740 -0.001 0.000 0.260 241 N C 0.269 175.630 175.510 -0.249 0.000 1.562 241 N CA 0.636 53.295 53.050 -0.652 0.000 0.788 241 N CB 0.723 38.295 38.487 -1.526 0.000 1.192 241 N HN 0.585 nan 8.380 nan 0.000 0.503 242 G N 0.240 108.950 108.800 -0.151 0.000 2.184 242 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.264 242 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.264 242 G C -0.080 174.756 174.900 -0.108 0.000 0.975 242 G CA 0.654 45.690 45.100 -0.107 0.000 0.642 242 G HN 0.574 nan 8.290 nan 0.000 0.536 243 S N -0.766 114.880 115.700 -0.091 0.000 2.632 243 S HA 0.796 5.266 4.470 -0.001 0.000 0.289 243 S C -0.213 174.217 174.600 -0.283 0.000 1.115 243 S CA -0.738 57.325 58.200 -0.228 0.000 0.889 243 S CB 1.992 64.985 63.200 -0.345 0.000 1.116 243 S HN 0.438 nan 8.310 nan 0.000 0.486 244 I N 1.761 122.041 120.570 -0.484 0.000 2.404 244 I HA 0.428 4.597 4.170 -0.001 0.000 0.293 244 I C -1.436 174.184 176.117 -0.828 0.000 0.992 244 I CA -0.593 60.368 61.300 -0.565 0.000 1.149 244 I CB 0.990 38.650 38.000 -0.567 0.000 1.315 244 I HN 0.545 nan 8.210 nan 0.000 0.446 245 Y N 5.042 124.808 120.300 -0.889 0.000 2.377 245 Y HA 0.521 5.071 4.550 -0.001 0.000 0.339 245 Y C -0.688 174.572 175.900 -1.066 0.000 1.011 245 Y CA -0.535 57.014 58.100 -0.919 0.000 1.093 245 Y CB 1.731 39.431 38.460 -1.266 0.000 1.201 245 Y HN 0.320 nan 8.280 nan 0.000 0.455 246 F N 4.228 124.065 119.950 -0.188 0.000 2.532 246 F HA 0.439 4.966 4.527 -0.001 0.000 0.365 246 F C -2.608 173.326 175.800 0.223 0.000 1.112 246 F CA -2.581 55.416 58.000 -0.005 0.000 1.082 246 F CB 1.280 40.266 39.000 -0.024 0.000 1.319 246 F HN 0.247 nan 8.300 nan 0.000 0.457 247 P HA 0.181 nan 4.420 nan 0.000 0.276 247 P C -1.212 176.335 177.300 0.412 0.000 1.235 247 P CA 0.156 63.354 63.100 0.164 0.000 0.772 247 P CB 0.433 32.186 31.700 0.090 0.000 0.871 248 Y N 1.921 122.364 120.300 0.238 0.000 2.853 248 Y HA 0.761 5.311 4.550 -0.001 0.000 0.326 248 Y C -1.825 174.216 175.900 0.234 0.000 1.384 248 Y CA -1.596 56.590 58.100 0.144 0.000 1.077 248 Y CB 1.013 39.434 38.460 -0.065 0.000 1.395 248 Y HN 0.468 nan 8.280 nan 0.000 0.451 249 Y N -2.635 117.781 120.300 0.193 0.000 2.474 249 Y HA 0.745 5.294 4.550 -0.001 0.000 0.326 249 Y C -3.542 172.502 175.900 0.241 0.000 1.160 249 Y CA -3.115 55.068 58.100 0.139 0.000 1.056 249 Y CB 1.425 39.945 38.460 0.099 0.000 1.330 249 Y HN 0.358 nan 8.280 nan 0.000 0.447 250 P HA 0.080 nan 4.420 nan 0.000 0.263 250 P C -1.533 175.926 177.300 0.265 0.000 1.195 250 P CA 0.897 64.130 63.100 0.222 0.000 0.762 250 P CB 0.003 31.838 31.700 0.224 0.000 0.799 251 Y N 2.781 123.040 120.300 -0.068 0.000 2.401 251 Y HA 0.315 4.865 4.550 -0.001 0.000 0.330 251 Y C -0.589 175.180 175.900 -0.218 0.000 1.071 251 Y CA -0.984 57.012 58.100 -0.172 0.000 1.049 251 Y CB 1.569 39.765 38.460 -0.440 0.000 1.239 251 Y HN 0.222 nan 8.280 nan 0.000 0.437 252 N N 5.425 123.719 118.700 -0.677 0.000 2.437 252 N HA 0.046 4.786 4.740 -0.001 0.000 0.243 252 N C -0.138 174.822 175.510 -0.916 0.000 1.041 252 N CA 0.198 52.922 53.050 -0.542 0.000 0.940 252 N CB 0.459 38.753 38.487 -0.321 0.000 1.133 252 N HN 0.833 nan 8.380 nan 0.000 0.506 253 Y N 1.747 121.733 120.300 -0.524 0.000 2.439 253 Y HA -0.079 4.471 4.550 -0.001 0.000 0.292 253 Y C 2.271 178.044 175.900 -0.212 0.000 1.130 253 Y CA 0.935 58.829 58.100 -0.344 0.000 1.254 253 Y CB 0.290 38.703 38.460 -0.077 0.000 1.000 253 Y HN 0.464 nan 8.280 nan 0.000 0.554 254 T N -1.212 113.310 114.554 -0.053 0.000 2.809 254 T HA -0.149 4.200 4.350 -0.001 0.000 0.260 254 T C 2.118 176.776 174.700 -0.070 0.000 1.039 254 T CA 1.631 63.707 62.100 -0.039 0.000 1.141 254 T CB -0.439 68.408 68.868 -0.035 0.000 0.869 254 T HN 0.448 nan 8.240 nan 0.000 0.437 255 S N 0.522 116.149 115.700 -0.123 0.000 2.446 255 S HA 0.319 4.789 4.470 -0.001 0.000 0.225 255 S C 1.817 176.345 174.600 -0.120 0.000 1.016 255 S CA 0.654 58.792 58.200 -0.104 0.000 0.943 255 S CB -0.358 62.782 63.200 -0.101 0.000 0.786 255 S HN 0.804 nan 8.310 nan 0.000 0.508 256 G N 0.804 109.455 108.800 -0.248 0.000 2.171 256 G HA2 0.138 4.098 3.960 -0.001 0.000 0.238 256 G HA3 0.138 4.098 3.960 -0.001 0.000 0.238 256 G C -0.020 174.837 174.900 -0.073 0.000 1.039 256 G CA -0.031 44.961 45.100 -0.180 0.000 0.759 256 G HN 1.332 nan 8.290 nan 0.000 0.501 257 A N -0.860 121.829 122.820 -0.218 0.000 2.454 257 A HA 1.045 5.364 4.320 -0.001 0.000 0.302 257 A C 0.282 177.888 177.584 0.037 0.000 1.079 257 A CA 0.298 52.326 52.037 -0.015 0.000 0.731 257 A CB 1.497 20.478 19.000 -0.032 0.000 1.299 257 A HN 2.082 nan 8.150 nan 0.000 0.413 258 A N 1.067 124.003 122.820 0.192 0.000 2.409 258 A HA 0.521 4.841 4.320 -0.001 0.000 0.267 258 A C 0.847 178.508 177.584 0.128 0.000 1.127 258 A CA 0.448 52.642 52.037 0.262 0.000 0.795 258 A CB -0.493 18.634 19.000 0.210 0.000 1.061 258 A HN 1.616 nan 8.150 nan 0.000 0.502 259 T N 0.271 114.901 114.554 0.127 0.000 3.240 259 T HA 0.572 4.921 4.350 -0.001 0.000 0.248 259 T C 0.513 175.290 174.700 0.129 0.000 0.929 259 T CA 0.238 62.387 62.100 0.082 0.000 0.939 259 T CB -0.536 68.355 68.868 0.039 0.000 1.114 259 T HN 1.832 nan 8.240 nan 0.000 0.558 260 G N -0.038 108.853 108.800 0.153 0.000 2.336 260 G HA2 0.333 4.293 3.960 -0.001 0.000 0.286 260 G HA3 0.333 4.293 3.960 -0.001 0.000 0.286 260 G C -2.179 172.862 174.900 0.234 0.000 1.269 260 G CA -1.017 44.208 45.100 0.208 0.000 0.873 260 G HN 0.235 nan 8.290 nan 0.000 0.494 261 W N 1.401 122.779 121.300 0.129 0.000 2.469 261 W HA 0.639 5.299 4.660 -0.001 0.000 0.320 261 W C -2.335 174.228 176.519 0.075 0.000 1.086 261 W CA -2.438 54.960 57.345 0.089 0.000 1.211 261 W CB 1.413 30.901 29.460 0.045 0.000 1.298 261 W HN 0.240 nan 8.180 nan 0.000 0.525 262 P HA 0.076 nan 4.420 nan 0.000 0.267 262 P C -0.652 176.645 177.300 -0.004 0.000 1.205 262 P CA 0.827 64.085 63.100 0.263 0.000 0.765 262 P CB 0.836 32.792 31.700 0.427 0.000 0.828 263 S N 2.388 117.882 115.700 -0.344 0.000 2.806 263 S HA 0.745 5.215 4.470 -0.001 0.000 0.306 263 S C -0.873 173.454 174.600 -0.455 0.000 1.167 263 S CA -0.825 57.118 58.200 -0.429 0.000 0.847 263 S CB 1.507 64.476 63.200 -0.385 0.000 1.216 263 S HN 0.345 nan 8.310 nan 0.000 0.532 264 M N 1.166 120.660 119.600 -0.176 0.000 2.326 264 M HA 0.674 5.153 4.480 -0.001 0.000 0.292 264 M C -1.403 175.076 176.300 0.298 0.000 1.081 264 M CA -0.423 54.894 55.300 0.028 0.000 0.919 264 M CB 1.819 34.330 32.600 -0.149 0.000 1.634 264 M HN 0.896 nan 8.290 nan 0.000 0.451 265 A N 4.177 127.293 122.820 0.493 0.000 2.306 265 A HA 0.790 5.109 4.320 -0.001 0.000 0.314 265 A C -0.893 176.754 177.584 0.104 0.000 1.164 265 A CA -0.620 51.655 52.037 0.397 0.000 0.822 265 A CB 0.945 20.143 19.000 0.329 0.000 1.130 265 A HN 0.887 nan 8.150 nan 0.000 0.496 266 R N 1.962 122.393 120.500 -0.115 0.000 2.534 266 R HA 0.757 5.096 4.340 -0.001 0.000 0.301 266 R C -1.696 174.394 176.300 -0.349 0.000 0.961 266 R CA -0.426 55.417 56.100 -0.428 0.000 0.871 266 R CB 0.979 30.985 30.300 -0.489 0.000 1.170 266 R HN 0.728 nan 8.270 nan 0.000 0.446 267 I N 2.498 122.863 120.570 -0.342 0.000 2.686 267 I HA 0.374 4.543 4.170 -0.001 0.000 0.295 267 I C -0.149 175.806 176.117 -0.271 0.000 1.114 267 I CA -1.081 60.085 61.300 -0.222 0.000 1.038 267 I CB 2.189 40.125 38.000 -0.106 0.000 1.238 267 I HN 0.750 nan 8.210 nan 0.000 0.420 268 A N 4.408 127.105 122.820 -0.205 0.000 2.425 268 A HA 0.253 4.572 4.320 -0.001 0.000 0.242 268 A C -0.055 177.400 177.584 -0.215 0.000 1.077 268 A CA -0.062 51.862 52.037 -0.187 0.000 0.781 268 A CB 0.174 19.098 19.000 -0.127 0.000 1.020 268 A HN 0.752 nan 8.150 nan 0.000 0.494 269 Q N 1.200 120.887 119.800 -0.188 0.000 2.664 269 Q HA 0.334 4.674 4.340 -0.001 0.000 0.223 269 Q C -0.157 175.843 176.000 0.000 0.000 1.298 269 Q CA -0.082 55.613 55.803 -0.180 0.000 0.965 269 Q CB 0.207 28.900 28.738 -0.074 0.000 1.510 269 Q HN 0.814 nan 8.270 nan 0.000 0.567 270 S N -1.400 114.302 115.700 0.003 0.000 2.720 270 S HA 0.347 4.817 4.470 -0.001 0.000 0.287 270 S C 0.949 175.506 174.600 -0.072 0.000 1.168 270 S CA -0.381 57.815 58.200 -0.006 0.000 0.832 270 S CB 1.164 64.328 63.200 -0.060 0.000 1.166 270 S HN 0.449 nan 8.310 nan 0.000 0.493 271 T N -1.716 112.698 114.554 -0.233 0.000 2.951 271 T HA 0.167 4.517 4.350 -0.001 0.000 0.268 271 T C 0.267 174.807 174.700 -0.267 0.000 1.073 271 T CA 0.676 62.486 62.100 -0.484 0.000 1.134 271 T CB -0.513 68.120 68.868 -0.393 0.000 0.884 271 T HN 0.678 nan 8.240 nan 0.000 0.479 272 E N 0.544 120.658 120.200 -0.144 0.000 2.244 272 E HA 0.540 4.890 4.350 -0.001 0.000 0.266 272 E C -1.132 175.422 176.600 -0.077 0.000 0.914 272 E CA -1.024 55.321 56.400 -0.092 0.000 0.794 272 E CB 2.739 32.401 29.700 -0.065 0.000 1.210 272 E HN -0.043 nan 8.360 nan 0.000 0.414 273 V N 2.856 122.730 119.914 -0.066 0.000 2.485 273 V HA -0.018 4.101 4.120 -0.001 0.000 0.287 273 V C -0.299 175.771 176.094 -0.040 0.000 1.022 273 V CA 0.198 62.459 62.300 -0.065 0.000 1.067 273 V CB 0.286 32.065 31.823 -0.073 0.000 0.967 273 V HN 0.370 nan 8.190 nan 0.000 0.479 274 L N 7.864 129.063 121.223 -0.040 0.000 2.401 274 L HA 0.509 4.848 4.340 -0.001 0.000 0.263 274 L C -0.749 176.128 176.870 0.011 0.000 1.004 274 L CA -0.492 54.339 54.840 -0.015 0.000 0.881 274 L CB 0.859 42.890 42.059 -0.046 0.000 1.219 274 L HN 0.485 nan 8.230 nan 0.000 0.441 275 F N 3.432 123.320 119.950 -0.103 0.000 2.578 275 F HA 0.190 4.717 4.527 -0.001 0.000 0.381 275 F C 1.052 176.807 175.800 -0.074 0.000 1.069 275 F CA 0.665 58.600 58.000 -0.110 0.000 1.231 275 F CB 0.750 39.702 39.000 -0.080 0.000 1.086 275 F HN 0.714 nan 8.300 nan 0.000 0.564 276 Q N 3.873 123.294 119.800 -0.632 0.000 2.280 276 Q HA 0.383 4.723 4.340 -0.001 0.000 0.228 276 Q C 0.495 176.096 176.000 -0.665 0.000 0.857 276 Q CA 0.146 55.643 55.803 -0.509 0.000 0.939 276 Q CB 1.014 29.561 28.738 -0.317 0.000 1.114 276 Q HN 0.941 nan 8.270 nan 0.000 0.514 277 G N 0.725 108.774 108.800 -1.252 0.000 2.353 277 G HA2 0.062 4.022 3.960 -0.001 0.000 0.308 277 G HA3 0.062 4.022 3.960 -0.001 0.000 0.308 277 G C -2.152 172.537 174.900 -0.351 0.000 1.418 277 G CA -0.854 43.804 45.100 -0.736 0.000 0.966 277 G HN -0.038 nan 8.290 nan 0.000 0.638 278 Q N -0.552 119.275 119.800 0.044 0.000 2.289 278 Q HA 0.701 5.040 4.340 -0.001 0.000 0.270 278 Q C -1.043 175.025 176.000 0.114 0.000 1.038 278 Q CA -0.594 55.370 55.803 0.268 0.000 0.812 278 Q CB 2.038 31.120 28.738 0.573 0.000 1.300 278 Q HN 1.802 nan 8.270 nan 0.000 0.427 279 A N 2.381 125.233 122.820 0.053 0.000 2.422 279 A HA 0.722 5.041 4.320 -0.001 0.000 0.302 279 A C -1.002 176.485 177.584 -0.160 0.000 1.041 279 A CA -0.568 51.428 52.037 -0.068 0.000 0.708 279 A CB 2.162 21.114 19.000 -0.080 0.000 1.257 279 A HN 0.633 nan 8.150 nan 0.000 0.414 280 S N 0.922 116.460 115.700 -0.270 0.000 2.584 280 S HA 0.542 5.011 4.470 -0.001 0.000 0.273 280 S C -0.256 174.054 174.600 -0.484 0.000 1.311 280 S CA -0.297 57.647 58.200 -0.428 0.000 1.034 280 S CB 0.423 63.199 63.200 -0.707 0.000 0.939 280 S HN 0.511 nan 8.310 nan 0.000 0.513 281 L N 2.804 123.762 121.223 -0.441 0.000 2.265 281 L HA 0.405 4.744 4.340 -0.001 0.000 0.289 281 L C -0.339 176.402 176.870 -0.214 0.000 1.033 281 L CA -0.661 53.943 54.840 -0.394 0.000 0.814 281 L CB 0.941 42.824 42.059 -0.294 0.000 1.203 281 L HN 0.503 nan 8.230 nan 0.000 0.423 282 D N 2.917 123.291 120.400 -0.043 0.000 2.412 282 D HA 0.194 4.834 4.640 -0.001 0.000 0.224 282 D C -0.719 175.656 176.300 0.125 0.000 1.093 282 D CA -0.162 53.919 54.000 0.135 0.000 0.850 282 D CB 1.275 42.129 40.800 0.089 0.000 1.046 282 D HN 0.492 nan 8.370 nan 0.000 0.507 283 c N 4.277 122.845 118.600 -0.053 0.000 3.206 283 c HA 0.682 5.252 4.570 -0.001 0.000 0.206 283 c C 0.762 174.820 174.090 -0.053 0.000 1.836 283 c CA -0.351 55.835 56.329 -0.238 0.000 1.382 283 c CB -0.804 41.136 42.510 -0.950 0.000 2.405 283 c HN 0.662 nan 8.230 nan 0.000 0.516 284 G N 0.528 109.381 108.800 0.088 0.000 4.644 284 G HA2 0.231 4.190 3.960 -0.001 0.000 0.307 284 G HA3 0.231 4.190 3.960 -0.001 0.000 0.307 284 G C 0.471 175.447 174.900 0.127 0.000 1.331 284 G CA 0.019 45.189 45.100 0.117 0.000 1.059 284 G HN 0.763 nan 8.290 nan 0.000 0.590 285 H N 1.024 120.112 119.070 0.030 0.000 2.256 285 H HA -0.021 4.535 4.556 -0.001 0.000 0.301 285 H C 2.451 177.802 175.328 0.038 0.000 1.062 285 H CA 2.425 58.485 56.048 0.020 0.000 1.283 285 H CB -0.102 29.652 29.762 -0.014 0.000 1.379 285 H HN 0.219 nan 8.280 nan 0.000 0.493 286 G N -1.774 106.932 108.800 -0.157 0.000 3.026 286 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.208 286 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.208 286 G C -0.401 174.505 174.900 0.011 0.000 1.169 286 G CA 0.003 44.991 45.100 -0.186 0.000 0.788 286 G HN 0.445 nan 8.290 nan 0.000 0.533 287 H N 0.368 119.393 119.070 -0.076 0.000 2.466 287 H HA 0.376 4.932 4.556 -0.001 0.000 0.338 287 H C -1.240 174.055 175.328 -0.055 0.000 1.091 287 H CA -2.045 53.975 56.048 -0.046 0.000 1.207 287 H CB 2.590 32.344 29.762 -0.014 0.000 1.466 287 H HN -0.109 nan 8.280 nan 0.000 0.493 288 P HA -0.071 nan 4.420 nan 0.000 0.221 288 P C 0.087 177.255 177.300 -0.219 0.000 1.150 288 P CA 1.004 63.960 63.100 -0.239 0.000 0.800 288 P CB 0.778 32.335 31.700 -0.239 0.000 0.787 289 D N -0.606 119.604 120.400 -0.316 0.000 2.369 289 D HA 0.216 4.855 4.640 -0.001 0.000 0.211 289 D C 1.174 177.463 176.300 -0.018 0.000 1.077 289 D CA 0.672 54.586 54.000 -0.142 0.000 0.842 289 D CB 0.756 41.480 40.800 -0.128 0.000 0.947 289 D HN 0.162 nan 8.370 nan 0.000 0.509 290 G N 1.464 110.307 108.800 0.072 0.000 2.781 290 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.683 290 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.683 290 G C -0.619 174.361 174.900 0.135 0.000 1.390 290 G CA -0.891 44.258 45.100 0.081 0.000 0.850 290 G HN 0.218 nan 8.290 nan 0.000 0.557 291 R N -0.005 120.542 120.500 0.080 0.000 2.409 291 R HA 0.547 4.886 4.340 -0.001 0.000 0.313 291 R C 0.625 176.983 176.300 0.095 0.000 0.953 291 R CA -0.790 55.359 56.100 0.083 0.000 0.849 291 R CB 1.911 32.286 30.300 0.126 0.000 1.171 291 R HN 0.517 nan 8.270 nan 0.000 0.458 292 R N 1.507 122.019 120.500 0.021 0.000 2.397 292 R HA 0.233 4.572 4.340 -0.001 0.000 0.241 292 R C -0.291 175.911 176.300 -0.163 0.000 0.914 292 R CA 0.157 56.256 56.100 -0.002 0.000 1.071 292 R CB 0.482 30.762 30.300 -0.034 0.000 1.116 292 R HN 0.290 nan 8.270 nan 0.000 0.524 293 L N 0.920 121.994 121.223 -0.249 0.000 2.322 293 L HA 0.405 4.745 4.340 -0.001 0.000 0.281 293 L C -0.973 175.607 176.870 -0.483 0.000 1.014 293 L CA -0.874 53.554 54.840 -0.688 0.000 0.815 293 L CB 1.649 43.414 42.059 -0.490 0.000 1.247 293 L HN -0.128 nan 8.230 nan 0.000 0.421 294 L N 3.429 124.252 121.223 -0.667 0.000 2.272 294 L HA 0.416 4.756 4.340 -0.001 0.000 0.289 294 L C 0.005 176.782 176.870 -0.155 0.000 1.032 294 L CA 0.133 54.758 54.840 -0.359 0.000 0.810 294 L CB 1.215 43.185 42.059 -0.149 0.000 1.205 294 L HN 0.501 nan 8.230 nan 0.000 0.422 295 L N 2.821 123.950 121.223 -0.155 0.000 2.316 295 L HA 0.384 4.723 4.340 -0.001 0.000 0.207 295 L C 0.838 177.725 176.870 0.028 0.000 1.070 295 L CA 0.776 55.577 54.840 -0.065 0.000 0.820 295 L CB -0.466 41.554 42.059 -0.064 0.000 0.992 295 L HN 0.675 nan 8.230 nan 0.000 0.466 296 S N -1.913 113.796 115.700 0.015 0.000 2.569 296 S HA 0.702 5.172 4.470 -0.001 0.000 0.280 296 S C -0.962 173.669 174.600 0.051 0.000 1.111 296 S CA -0.470 57.793 58.200 0.105 0.000 0.887 296 S CB 1.596 64.832 63.200 0.060 0.000 1.095 296 S HN -0.003 nan 8.310 nan 0.000 0.476 297 S N 1.566 117.353 115.700 0.146 0.000 2.571 297 S HA 0.760 5.230 4.470 -0.001 0.000 0.284 297 S C -1.516 173.135 174.600 0.084 0.000 1.128 297 S CA -0.375 57.946 58.200 0.201 0.000 0.970 297 S CB 1.507 65.074 63.200 0.613 0.000 1.039 297 S HN 0.678 nan 8.310 nan 0.000 0.485 298 S N 3.947 119.523 115.700 -0.206 0.000 2.649 298 S HA 0.525 4.995 4.470 -0.001 0.000 0.274 298 S C -1.548 172.860 174.600 -0.321 0.000 1.176 298 S CA -0.597 57.501 58.200 -0.170 0.000 0.988 298 S CB 0.986 64.106 63.200 -0.134 0.000 1.071 298 S HN 0.806 nan 8.310 nan 0.000 0.478 299 L N 6.209 127.291 121.223 -0.235 0.000 2.276 299 L HA 0.661 5.001 4.340 -0.001 0.000 0.286 299 L C -0.773 175.974 176.870 -0.205 0.000 1.061 299 L CA -0.141 54.522 54.840 -0.295 0.000 0.807 299 L CB 1.354 43.049 42.059 -0.608 0.000 1.177 299 L HN 0.457 nan 8.230 nan 0.000 0.429 300 V N 6.369 126.172 119.914 -0.184 0.000 2.299 300 V HA 0.182 4.301 4.120 -0.001 0.000 0.255 300 V C 1.108 177.168 176.094 -0.056 0.000 1.100 300 V CA -0.310 61.904 62.300 -0.144 0.000 0.938 300 V CB -0.169 31.562 31.823 -0.153 0.000 1.139 300 V HN 0.909 nan 8.190 nan 0.000 0.490 301 E N 3.793 123.990 120.200 -0.005 0.000 2.097 301 E HA -0.248 4.101 4.350 -0.001 0.000 0.196 301 E C 2.086 178.743 176.600 0.096 0.000 1.000 301 E CA 1.578 58.029 56.400 0.084 0.000 0.804 301 E CB 0.014 29.774 29.700 0.100 0.000 0.740 301 E HN 0.782 nan 8.360 nan 0.000 0.454 302 A N 0.444 123.295 122.820 0.052 0.000 2.235 302 A HA 0.003 4.323 4.320 -0.001 0.000 0.208 302 A C 1.874 179.485 177.584 0.044 0.000 1.172 302 A CA 0.501 52.568 52.037 0.050 0.000 0.786 302 A CB 0.037 19.055 19.000 0.030 0.000 0.804 302 A HN 0.176 nan 8.150 nan 0.000 0.479 303 L N -1.842 119.400 121.223 0.033 0.000 2.749 303 L HA 0.263 4.602 4.340 -0.001 0.000 0.242 303 L C -0.546 176.348 176.870 0.040 0.000 1.103 303 L CA 0.789 55.640 54.840 0.018 0.000 0.906 303 L CB 0.201 42.243 42.059 -0.028 0.000 1.228 303 L HN 0.316 nan 8.230 nan 0.000 0.517 304 D N 0.336 120.779 120.400 0.071 0.000 2.800 304 D HA -0.139 4.501 4.640 -0.001 0.000 0.232 304 D C -0.489 175.721 176.300 -0.149 0.000 1.137 304 D CA 0.759 54.800 54.000 0.069 0.000 0.718 304 D CB -1.617 39.363 40.800 0.300 0.000 1.084 304 D HN 0.130 nan 8.370 nan 0.000 0.432 305 V N 0.375 120.214 119.914 -0.126 0.000 2.638 305 V HA 0.494 4.613 4.120 -0.001 0.000 0.306 305 V C -0.291 175.761 176.094 -0.070 0.000 1.052 305 V CA -1.022 61.216 62.300 -0.103 0.000 0.885 305 V CB 2.336 34.114 31.823 -0.075 0.000 0.999 305 V HN 0.238 nan 8.190 nan 0.000 0.424 306 W N 4.730 125.918 121.300 -0.186 0.000 2.390 306 W HA 0.731 5.391 4.660 -0.001 0.000 0.312 306 W C 0.017 176.541 176.519 0.009 0.000 1.123 306 W CA -0.483 56.769 57.345 -0.155 0.000 1.202 306 W CB 1.290 30.671 29.460 -0.131 0.000 1.251 306 W HN 0.692 nan 8.180 nan 0.000 0.511 307 A N 4.392 126.692 122.820 -0.867 0.000 2.304 307 A HA 0.840 5.159 4.320 -0.001 0.000 0.323 307 A C -0.315 176.448 177.584 -1.368 0.000 1.195 307 A CA -0.420 51.144 52.037 -0.789 0.000 0.826 307 A CB 0.727 19.457 19.000 -0.451 0.000 1.184 307 A HN 0.965 nan 8.150 nan 0.000 0.496 308 G N 0.178 108.426 108.800 -0.921 0.000 2.638 308 G HA2 0.541 4.500 3.960 -0.001 0.000 0.302 308 G HA3 0.541 4.500 3.960 -0.001 0.000 0.302 308 G C -1.377 173.366 174.900 -0.262 0.000 1.365 308 G CA -0.417 44.187 45.100 -0.827 0.000 0.987 308 G HN 0.771 nan 8.290 nan 0.000 0.495 309 V N 2.164 121.906 119.914 -0.287 0.000 2.333 309 V HA 0.459 4.579 4.120 -0.001 0.000 0.274 309 V C -0.661 175.325 176.094 -0.179 0.000 1.028 309 V CA -0.379 61.865 62.300 -0.093 0.000 0.851 309 V CB 0.153 31.939 31.823 -0.062 0.000 1.000 309 V HN 0.534 nan 8.190 nan 0.000 0.456 310 F N 2.762 122.730 119.950 0.031 0.000 2.432 310 F HA 0.736 5.262 4.527 -0.001 0.000 0.329 310 F C 0.586 176.372 175.800 -0.023 0.000 1.076 310 F CA -0.232 57.783 58.000 0.025 0.000 1.018 310 F CB 2.081 41.135 39.000 0.089 0.000 1.201 310 F HN 0.456 nan 8.300 nan 0.000 0.489 311 S N 0.839 116.600 115.700 0.102 0.000 2.556 311 S HA 0.849 5.318 4.470 -0.001 0.000 0.271 311 S C -0.833 173.742 174.600 -0.041 0.000 1.135 311 S CA -0.505 57.694 58.200 -0.002 0.000 0.858 311 S CB 1.260 64.438 63.200 -0.036 0.000 1.114 311 S HN 0.896 nan 8.310 nan 0.000 0.468 312 A N 2.054 124.815 122.820 -0.098 0.000 2.274 312 A HA 0.908 5.228 4.320 -0.001 0.000 0.297 312 A C 0.541 178.106 177.584 -0.033 0.000 1.191 312 A CA -0.117 51.884 52.037 -0.059 0.000 0.889 312 A CB -0.193 18.754 19.000 -0.089 0.000 1.294 312 A HN 1.548 nan 8.150 nan 0.000 0.506 313 A N -1.387 121.438 122.820 0.009 0.000 2.407 313 A HA 0.525 4.845 4.320 -0.001 0.000 0.248 313 A C 0.616 178.211 177.584 0.019 0.000 1.082 313 A CA 0.276 52.322 52.037 0.014 0.000 0.785 313 A CB -0.024 18.992 19.000 0.026 0.000 1.020 313 A HN 1.973 nan 8.150 nan 0.000 0.489 314 A N 1.547 124.376 122.820 0.016 0.000 2.842 314 A HA 0.533 4.853 4.320 -0.001 0.000 0.298 314 A C 1.468 179.066 177.584 0.024 0.000 1.293 314 A CA 0.843 52.892 52.037 0.020 0.000 0.959 314 A CB -1.309 17.701 19.000 0.016 0.000 1.119 314 A HN 2.711 nan 8.150 nan 0.000 0.564 315 G N 0.418 109.234 108.800 0.026 0.000 3.879 315 G HA2 -0.419 3.540 3.960 -0.001 0.000 0.318 315 G HA3 -0.419 3.540 3.960 -0.001 0.000 0.318 315 G C 0.759 175.673 174.900 0.022 0.000 1.344 315 G CA 1.506 46.620 45.100 0.023 0.000 1.024 315 G HN 0.893 nan 8.290 nan 0.000 0.681 316 E N -2.383 117.831 120.200 0.023 0.000 3.269 316 E HA 0.286 4.635 4.350 -0.001 0.000 0.272 316 E C 2.179 178.795 176.600 0.026 0.000 1.191 316 E CA 1.343 57.757 56.400 0.024 0.000 1.940 316 E CB -0.931 28.782 29.700 0.021 0.000 2.232 316 E HN 0.851 nan 8.360 nan 0.000 0.979 317 G N 0.148 108.963 108.800 0.025 0.000 2.424 317 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.214 317 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.214 317 G C 1.169 176.086 174.900 0.027 0.000 1.202 317 G CA 1.517 46.632 45.100 0.026 0.000 0.793 317 G HN 0.243 nan 8.290 nan 0.000 0.534 318 Q N -1.386 118.429 119.800 0.025 0.000 1.412 318 Q HA 0.054 4.393 4.340 -0.001 0.000 0.136 318 Q C 1.116 177.131 176.000 0.024 0.000 0.765 318 Q CA 0.378 56.197 55.803 0.026 0.000 0.656 318 Q CB -0.719 28.036 28.738 0.028 0.000 1.175 318 Q HN 0.538 nan 8.270 nan 0.000 0.328 319 E N 0.686 120.900 120.200 0.023 0.000 2.017 319 E HA -0.183 4.166 4.350 -0.001 0.000 0.220 319 E C 0.111 176.725 176.600 0.024 0.000 1.032 319 E CA 1.442 57.855 56.400 0.021 0.000 0.888 319 E CB -0.113 29.598 29.700 0.019 0.000 0.801 319 E HN 0.196 nan 8.360 nan 0.000 0.503 320 R N 2.211 122.727 120.500 0.028 0.000 4.874 320 R HA 0.110 4.450 4.340 -0.001 0.000 0.173 320 R C -0.082 176.244 176.300 0.044 0.000 2.034 320 R CA 0.116 56.238 56.100 0.037 0.000 1.630 320 R CB -0.840 29.487 30.300 0.045 0.000 1.372 320 R HN 0.060 nan 8.270 nan 0.000 0.843 321 R N 0.501 121.022 120.500 0.034 0.000 2.357 321 R HA 0.204 4.544 4.340 -0.001 0.000 0.296 321 R C -0.492 175.828 176.300 0.035 0.000 1.052 321 R CA -0.024 56.094 56.100 0.030 0.000 0.988 321 R CB 1.052 31.367 30.300 0.024 0.000 1.025 321 R HN 0.270 nan 8.270 nan 0.000 0.469 322 S N 3.579 119.300 115.700 0.034 0.000 2.550 322 S HA 0.457 4.927 4.470 -0.001 0.000 0.270 322 S C -2.380 172.228 174.600 0.013 0.000 1.145 322 S CA -1.386 56.838 58.200 0.040 0.000 0.852 322 S CB 1.843 65.103 63.200 0.100 0.000 1.119 322 S HN 0.608 nan 8.310 nan 0.000 0.465 323 P HA 0.070 nan 4.420 nan 0.000 0.244 323 P C 0.656 177.945 177.300 -0.018 0.000 1.211 323 P CA 0.781 63.855 63.100 -0.043 0.000 0.760 323 P CB -0.612 31.058 31.700 -0.050 0.000 0.961 324 T N -6.154 108.415 114.554 0.025 0.000 3.209 324 T HA 0.059 4.408 4.350 -0.001 0.000 0.295 324 T C 1.325 175.964 174.700 -0.102 0.000 0.977 324 T CA 0.421 62.551 62.100 0.051 0.000 0.922 324 T CB -0.788 68.181 68.868 0.168 0.000 1.152 324 T HN 0.080 nan 8.240 nan 0.000 0.527 325 T N 0.671 115.117 114.554 -0.181 0.000 2.857 325 T HA 0.050 4.399 4.350 -0.001 0.000 0.266 325 T C 1.156 175.707 174.700 -0.247 0.000 1.048 325 T CA 1.265 63.120 62.100 -0.409 0.000 1.139 325 T CB -0.737 68.021 68.868 -0.183 0.000 0.874 325 T HN 0.667 nan 8.240 nan 0.000 0.455 326 T N -0.621 113.895 114.554 -0.064 0.000 2.940 326 T HA 0.808 5.157 4.350 -0.001 0.000 0.288 326 T C -0.695 174.050 174.700 0.075 0.000 1.033 326 T CA -0.444 61.669 62.100 0.021 0.000 1.033 326 T CB 1.939 70.845 68.868 0.064 0.000 1.079 326 T HN 0.752 nan 8.240 nan 0.000 0.496 327 A N 1.191 124.082 122.820 0.118 0.000 2.612 327 A HA 0.689 5.009 4.320 -0.001 0.000 0.293 327 A C -1.720 175.964 177.584 0.166 0.000 1.075 327 A CA -0.907 51.209 52.037 0.132 0.000 0.680 327 A CB 1.540 20.612 19.000 0.119 0.000 1.279 327 A HN 1.174 nan 8.150 nan 0.000 0.411 328 L N 0.851 122.136 121.223 0.104 0.000 2.296 328 L HA 0.793 5.132 4.340 -0.001 0.000 0.286 328 L C -0.972 175.923 176.870 0.043 0.000 1.023 328 L CA -0.246 54.640 54.840 0.076 0.000 0.812 328 L CB 0.853 42.912 42.059 -0.001 0.000 1.223 328 L HN 0.707 nan 8.230 nan 0.000 0.421 329 c N 5.368 124.031 118.600 0.106 0.000 2.498 329 c HA 0.660 5.230 4.570 -0.001 0.000 0.316 329 c C -0.669 173.363 174.090 -0.097 0.000 1.209 329 c CA -0.822 55.468 56.329 -0.064 0.000 1.518 329 c CB 1.429 43.865 42.510 -0.123 0.000 2.147 329 c HN 0.671 nan 8.230 nan 0.000 0.483 330 L N 3.533 124.585 121.223 -0.284 0.000 2.287 330 L HA 0.601 4.941 4.340 -0.001 0.000 0.287 330 L C -0.531 176.160 176.870 -0.299 0.000 1.022 330 L CA 0.181 54.906 54.840 -0.192 0.000 0.814 330 L CB 0.312 42.268 42.059 -0.172 0.000 1.217 330 L HN 0.509 nan 8.230 nan 0.000 0.420 331 F N 2.564 122.561 119.950 0.078 0.000 2.469 331 F HA 0.540 5.067 4.527 -0.001 0.000 0.332 331 F C 0.791 176.585 175.800 -0.011 0.000 1.103 331 F CA -0.856 57.190 58.000 0.076 0.000 0.979 331 F CB 1.310 40.433 39.000 0.205 0.000 1.137 331 F HN 0.230 nan 8.300 nan 0.000 0.463 332 R N 3.255 123.809 120.500 0.090 0.000 2.316 332 R HA 0.167 4.507 4.340 -0.001 0.000 0.314 332 R C 0.907 177.136 176.300 -0.119 0.000 1.069 332 R CA -0.383 55.701 56.100 -0.027 0.000 0.959 332 R CB 0.731 31.018 30.300 -0.023 0.000 0.987 332 R HN 0.692 nan 8.270 nan 0.000 0.446 333 M N 1.445 120.827 119.600 -0.363 0.000 2.213 333 M HA -0.151 4.329 4.480 -0.001 0.000 0.263 333 M C 2.106 178.075 176.300 -0.552 0.000 1.062 333 M CA 1.753 56.582 55.300 -0.785 0.000 1.105 333 M CB -0.891 30.595 32.600 -1.858 0.000 1.385 333 M HN 0.595 nan 8.290 nan 0.000 0.417 334 S N -0.669 114.907 115.700 -0.208 0.000 2.423 334 S HA -0.104 4.366 4.470 -0.001 0.000 0.231 334 S C 1.758 176.394 174.600 0.060 0.000 1.014 334 S CA 0.984 59.253 58.200 0.116 0.000 0.965 334 S CB -0.389 62.918 63.200 0.178 0.000 0.785 334 S HN 0.538 nan 8.310 nan 0.000 0.495 335 E N 0.334 120.536 120.200 0.003 0.000 2.158 335 E HA 0.037 4.386 4.350 -0.001 0.000 0.191 335 E C 1.760 178.366 176.600 0.009 0.000 0.982 335 E CA 0.587 56.998 56.400 0.019 0.000 0.823 335 E CB -0.024 29.692 29.700 0.027 0.000 0.766 335 E HN 0.444 nan 8.360 nan 0.000 0.468 336 I N 1.166 121.717 120.570 -0.032 0.000 2.202 336 I HA -0.256 3.914 4.170 -0.001 0.000 0.242 336 I C 2.566 178.709 176.117 0.043 0.000 1.091 336 I CA 1.358 62.632 61.300 -0.044 0.000 1.368 336 I CB -1.084 36.819 38.000 -0.162 0.000 1.058 336 I HN 0.204 nan 8.210 nan 0.000 0.410 337 Q N 0.932 120.797 119.800 0.108 0.000 2.124 337 Q HA -0.177 4.163 4.340 -0.001 0.000 0.202 337 Q C 2.248 178.316 176.000 0.113 0.000 0.977 337 Q CA 2.127 58.059 55.803 0.215 0.000 0.850 337 Q CB 0.024 28.984 28.738 0.371 0.000 0.901 337 Q HN 0.472 nan 8.270 nan 0.000 0.429 338 A N 0.613 123.484 122.820 0.084 0.000 1.968 338 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 338 A C 1.876 179.472 177.584 0.021 0.000 1.169 338 A CA 1.094 53.160 52.037 0.049 0.000 0.638 338 A CB -0.179 18.848 19.000 0.046 0.000 0.812 338 A HN 0.318 nan 8.150 nan 0.000 0.446 339 R N -0.606 119.900 120.500 0.011 0.000 2.312 339 R HA 0.287 4.627 4.340 -0.001 0.000 0.205 339 R C 0.420 176.707 176.300 -0.021 0.000 0.904 339 R CA 0.388 56.480 56.100 -0.013 0.000 1.052 339 R CB 0.062 30.345 30.300 -0.028 0.000 1.014 339 R HN 0.380 nan 8.270 nan 0.000 0.503 340 A N 2.238 125.052 122.820 -0.010 0.000 2.350 340 A HA 0.207 4.526 4.320 -0.001 0.000 0.293 340 A C -0.257 177.295 177.584 -0.054 0.000 1.231 340 A CA -0.105 51.916 52.037 -0.026 0.000 0.883 340 A CB 0.234 19.223 19.000 -0.018 0.000 1.133 340 A HN -0.077 nan 8.150 nan 0.000 0.533 341 K N 2.180 122.560 120.400 -0.034 0.000 2.156 341 K HA 0.307 4.627 4.320 -0.001 0.000 0.254 341 K C -0.051 176.543 176.600 -0.009 0.000 0.950 341 K CA -0.658 55.616 56.287 -0.022 0.000 0.849 341 K CB 1.707 34.215 32.500 0.013 0.000 1.100 341 K HN 0.667 nan 8.250 nan 0.000 0.434 342 R N 1.049 121.542 120.500 -0.012 0.000 4.886 342 R HA 0.077 4.416 4.340 -0.001 0.000 0.181 342 R C 0.339 176.807 176.300 0.281 0.000 1.989 342 R CA -0.122 56.032 56.100 0.090 0.000 1.623 342 R CB -0.288 30.050 30.300 0.064 0.000 1.383 342 R HN 0.179 nan 8.270 nan 0.000 0.847 343 V N 0.120 120.228 119.914 0.324 0.000 2.617 343 V HA 0.232 4.352 4.120 -0.001 0.000 0.298 343 V C -0.094 176.238 176.094 0.397 0.000 1.048 343 V CA -0.488 61.992 62.300 0.301 0.000 0.964 343 V CB 2.070 34.030 31.823 0.227 0.000 1.004 343 V HN 0.306 nan 8.190 nan 0.000 0.466 344 S N 6.964 122.844 115.700 0.299 0.000 2.399 344 S HA 0.295 4.765 4.470 -0.001 0.000 0.301 344 S C 0.018 174.794 174.600 0.292 0.000 1.093 344 S CA -0.353 57.988 58.200 0.235 0.000 1.077 344 S CB 0.040 63.322 63.200 0.137 0.000 0.980 344 S HN 0.944 nan 8.310 nan 0.000 0.494 345 W N 3.769 125.101 121.300 0.052 0.000 4.654 345 W HA 0.201 4.861 4.660 -0.001 0.000 0.196 345 W C 0.096 176.555 176.519 -0.100 0.000 0.957 345 W CA 0.063 57.417 57.345 0.015 0.000 2.022 345 W CB 0.184 29.686 29.460 0.069 0.000 0.791 345 W HN 0.600 nan 8.180 nan 0.000 0.953 346 D N -0.199 120.132 120.400 -0.114 0.000 2.423 346 D HA 0.137 4.777 4.640 -0.001 0.000 0.208 346 D C -0.572 175.171 176.300 -0.928 0.000 1.068 346 D CA 0.547 54.202 54.000 -0.575 0.000 0.860 346 D CB 0.779 41.135 40.800 -0.740 0.000 0.992 346 D HN -0.150 nan 8.370 nan 0.000 0.504 347 F N 1.070 120.959 119.950 -0.102 0.000 2.563 347 F HA 0.367 4.894 4.527 -0.001 0.000 0.316 347 F C 0.514 176.161 175.800 -0.256 0.000 1.076 347 F CA -1.113 56.724 58.000 -0.272 0.000 0.921 347 F CB 1.358 40.007 39.000 -0.584 0.000 1.209 347 F HN -0.569 nan 8.300 nan 0.000 0.462 348 K N 1.198 121.575 120.400 -0.039 0.000 2.350 348 K HA 0.474 4.794 4.320 -0.001 0.000 0.279 348 K C 0.138 176.700 176.600 -0.064 0.000 1.027 348 K CA -0.261 56.000 56.287 -0.043 0.000 0.969 348 K CB 0.888 33.370 32.500 -0.031 0.000 0.954 348 K HN 0.829 nan 8.250 nan 0.000 0.474 349 T N -1.801 112.757 114.554 0.005 0.000 2.807 349 T HA 0.520 4.870 4.350 -0.001 0.000 0.277 349 T C 0.982 175.719 174.700 0.061 0.000 1.006 349 T CA -0.562 61.566 62.100 0.046 0.000 1.006 349 T CB 1.502 70.441 68.868 0.118 0.000 1.274 349 T HN 0.403 nan 8.240 nan 0.000 0.569 350 A N 0.625 123.488 122.820 0.073 0.000 1.855 350 A HA 0.091 4.411 4.320 -0.001 0.000 0.213 350 A C 1.788 179.414 177.584 0.070 0.000 1.195 350 A CA 0.944 53.019 52.037 0.062 0.000 0.610 350 A CB -0.509 18.524 19.000 0.055 0.000 0.837 350 A HN 0.883 nan 8.150 nan 0.000 0.444 351 E N 0.113 120.354 120.200 0.069 0.000 2.496 351 E HA 0.278 4.628 4.350 -0.001 0.000 0.200 351 E C -0.715 175.908 176.600 0.039 0.000 1.016 351 E CA 0.007 56.439 56.400 0.053 0.000 0.962 351 E CB 0.012 29.735 29.700 0.038 0.000 1.071 351 E HN 0.189 nan 8.360 nan 0.000 0.457 352 S N -0.090 115.653 115.700 0.072 0.000 2.548 352 S HA 0.371 4.841 4.470 -0.001 0.000 0.276 352 S C -0.108 174.579 174.600 0.146 0.000 1.129 352 S CA -0.712 57.521 58.200 0.054 0.000 0.931 352 S CB 1.648 64.900 63.200 0.086 0.000 1.068 352 S HN 0.247 nan 8.310 nan 0.000 0.480 353 H N 0.727 119.809 119.070 0.021 0.000 3.033 353 H HA 0.256 4.812 4.556 -0.001 0.000 0.313 353 H C -0.100 175.215 175.328 -0.023 0.000 1.029 353 H CA 0.229 56.275 56.048 -0.004 0.000 1.259 353 H CB 0.279 30.034 29.762 -0.012 0.000 1.630 353 H HN 0.446 nan 8.280 nan 0.000 0.830 354 c N 0.391 119.060 118.600 0.114 0.000 2.705 354 c HA 0.167 4.736 4.570 -0.001 0.000 0.369 354 c C -0.095 173.916 174.090 -0.130 0.000 1.069 354 c CA -0.871 55.435 56.329 -0.039 0.000 1.260 354 c CB 0.981 43.431 42.510 -0.099 0.000 1.764 354 c HN 0.743 nan 8.230 nan 0.000 0.469 355 K N 0.884 121.166 120.400 -0.196 0.000 3.349 355 K HA -0.198 4.122 4.320 -0.001 0.000 0.310 355 K C -0.024 176.566 176.600 -0.016 0.000 1.267 355 K CA 1.268 57.326 56.287 -0.382 0.000 0.920 355 K CB -0.751 31.207 32.500 -0.904 0.000 1.240 355 K HN 0.844 nan 8.250 nan 0.000 0.453 356 E N 0.652 120.884 120.200 0.054 0.000 2.427 356 E HA 0.296 4.646 4.350 -0.001 0.000 0.259 356 E C 0.701 177.358 176.600 0.096 0.000 1.267 356 E CA 0.167 56.609 56.400 0.070 0.000 1.425 356 E CB 0.986 30.707 29.700 0.034 0.000 1.482 356 E HN 0.484 nan 8.360 nan 0.000 0.460 357 G N 0.798 109.704 108.800 0.176 0.000 2.565 357 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.142 357 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.142 357 G C -1.162 173.849 174.900 0.186 0.000 1.181 357 G CA -0.728 44.463 45.100 0.153 0.000 1.066 357 G HN 0.119 nan 8.290 nan 0.000 0.530 358 D N 1.026 121.513 120.400 0.146 0.000 2.344 358 D HA 0.399 5.039 4.640 -0.001 0.000 0.244 358 D C 0.139 176.457 176.300 0.029 0.000 1.134 358 D CA 0.347 54.395 54.000 0.080 0.000 0.930 358 D CB 1.178 42.005 40.800 0.046 0.000 1.175 358 D HN 0.293 nan 8.370 nan 0.000 0.437 359 Q N 0.415 120.125 119.800 -0.150 0.000 2.205 359 Q HA 0.381 4.721 4.340 -0.001 0.000 0.249 359 Q C -2.157 173.631 176.000 -0.352 0.000 0.948 359 Q CA -1.631 53.876 55.803 -0.494 0.000 0.895 359 Q CB 1.058 29.501 28.738 -0.492 0.000 1.249 359 Q HN 0.096 nan 8.270 nan 0.000 0.458 360 P HA 0.000 nan 4.420 nan 0.000 0.271 360 P C -1.039 176.120 177.300 -0.235 0.000 1.216 360 P CA 0.109 63.057 63.100 -0.253 0.000 0.776 360 P CB 0.554 32.101 31.700 -0.255 0.000 0.881 361 E N 2.137 122.241 120.200 -0.161 0.000 2.366 361 E HA 0.222 4.572 4.350 -0.001 0.000 0.266 361 E C -0.106 176.358 176.600 -0.227 0.000 1.051 361 E CA -0.357 55.946 56.400 -0.161 0.000 0.884 361 E CB 0.633 30.273 29.700 -0.100 0.000 1.006 361 E HN 0.253 nan 8.360 nan 0.000 0.417 362 R N 0.716 121.061 120.500 -0.259 0.000 2.500 362 R HA 0.417 4.757 4.340 -0.001 0.000 0.277 362 R C -0.930 175.255 176.300 -0.191 0.000 1.026 362 R CA -0.444 55.444 56.100 -0.354 0.000 1.058 362 R CB 1.200 31.228 30.300 -0.454 0.000 1.078 362 R HN 0.210 nan 8.270 nan 0.000 0.509 363 V N 2.701 122.524 119.914 -0.152 0.000 2.604 363 V HA 0.316 4.436 4.120 -0.001 0.000 0.305 363 V C -0.552 175.638 176.094 0.160 0.000 1.043 363 V CA -1.069 61.238 62.300 0.013 0.000 0.888 363 V CB 1.820 33.670 31.823 0.046 0.000 0.995 363 V HN 0.561 nan 8.190 nan 0.000 0.429 364 Q N 5.283 125.146 119.800 0.104 0.000 2.235 364 Q HA 0.356 4.695 4.340 -0.001 0.000 0.250 364 Q C -2.111 173.822 176.000 -0.113 0.000 0.909 364 Q CA -2.204 53.616 55.803 0.028 0.000 0.910 364 Q CB 1.572 30.293 28.738 -0.029 0.000 1.223 364 Q HN 0.474 nan 8.270 nan 0.000 0.432 365 P HA 0.165 nan 4.420 nan 0.000 0.236 365 P C -0.458 176.520 177.300 -0.536 0.000 1.709 365 P CA -0.095 62.394 63.100 -1.018 0.000 0.942 365 P CB -0.210 30.649 31.700 -1.401 0.000 1.615 366 I N -1.577 118.807 120.570 -0.310 0.000 8.444 366 I HA -0.258 3.911 4.170 -0.001 0.000 0.126 366 I C 0.618 176.601 176.117 -0.224 0.000 1.836 366 I CA -0.068 61.101 61.300 -0.218 0.000 2.074 366 I CB -1.188 36.693 38.000 -0.198 0.000 3.795 366 I HN 0.209 nan 8.210 nan 0.000 0.181 367 A N 5.329 128.040 122.820 -0.181 0.000 2.466 367 A HA 0.461 4.780 4.320 -0.001 0.000 0.238 367 A C 1.439 178.921 177.584 -0.170 0.000 1.074 367 A CA 0.672 52.595 52.037 -0.190 0.000 0.774 367 A CB 0.320 19.240 19.000 -0.134 0.000 1.015 367 A HN 2.230 nan 8.150 nan 0.000 0.498 368 S N -0.749 114.839 115.700 -0.187 0.000 3.011 368 S HA -0.245 4.224 4.470 -0.001 0.000 0.278 368 S C 1.044 175.568 174.600 -0.127 0.000 1.300 368 S CA 1.719 59.838 58.200 -0.135 0.000 1.248 368 S CB -2.128 61.018 63.200 -0.090 0.000 1.517 368 S HN 1.995 nan 8.310 nan 0.000 0.685 369 S N 0.442 116.047 115.700 -0.158 0.000 2.524 369 S HA 0.298 4.768 4.470 -0.001 0.000 0.215 369 S C 0.556 175.069 174.600 -0.146 0.000 0.986 369 S CA 0.543 58.658 58.200 -0.142 0.000 0.911 369 S CB 0.000 63.106 63.200 -0.157 0.000 0.805 369 S HN 0.760 nan 8.310 nan 0.000 0.501 370 T N 2.804 117.253 114.554 -0.176 0.000 2.884 370 T HA 0.376 4.725 4.350 -0.001 0.000 0.298 370 T C -0.669 173.991 174.700 -0.067 0.000 0.998 370 T CA -0.060 61.951 62.100 -0.148 0.000 1.124 370 T CB 1.096 69.825 68.868 -0.231 0.000 0.931 370 T HN 0.219 nan 8.240 nan 0.000 0.531 371 L N 5.130 126.341 121.223 -0.020 0.000 2.318 371 L HA 0.560 4.900 4.340 -0.001 0.000 0.277 371 L C -1.134 175.782 176.870 0.076 0.000 1.008 371 L CA -0.625 54.230 54.840 0.025 0.000 0.846 371 L CB 0.359 42.428 42.059 0.017 0.000 1.220 371 L HN 0.452 nan 8.230 nan 0.000 0.423 372 I N 5.756 126.384 120.570 0.097 0.000 2.395 372 I HA 0.401 4.571 4.170 -0.001 0.000 0.289 372 I C 0.170 176.371 176.117 0.140 0.000 1.023 372 I CA 0.204 61.573 61.300 0.114 0.000 1.350 372 I CB 0.603 38.665 38.000 0.104 0.000 1.409 372 I HN 0.583 nan 8.210 nan 0.000 0.507 373 H N 3.277 122.364 119.070 0.027 0.000 2.977 373 H HA 0.297 4.853 4.556 -0.001 0.000 0.350 373 H C 0.500 175.835 175.328 0.011 0.000 1.238 373 H CA 0.006 56.067 56.048 0.022 0.000 1.124 373 H CB 2.207 31.983 29.762 0.024 0.000 1.866 373 H HN 0.587 nan 8.280 nan 0.000 0.550 374 S N 0.580 116.160 115.700 -0.200 0.000 2.395 374 S HA -0.061 4.409 4.470 -0.001 0.000 0.225 374 S C 0.439 175.134 174.600 0.159 0.000 1.027 374 S CA 1.119 59.304 58.200 -0.024 0.000 0.965 374 S CB 0.246 63.370 63.200 -0.126 0.000 0.812 374 S HN 0.543 nan 8.310 nan 0.000 0.482 375 D N 0.304 120.960 120.400 0.428 0.000 2.586 375 D HA 0.366 5.006 4.640 -0.001 0.000 0.254 375 D C -1.037 175.336 176.300 0.122 0.000 1.248 375 D CA -0.268 53.865 54.000 0.221 0.000 0.843 375 D CB 0.020 40.913 40.800 0.156 0.000 1.332 375 D HN 0.289 nan 8.370 nan 0.000 0.523 376 L N 1.013 122.269 121.223 0.056 0.000 2.357 376 L HA 0.536 4.876 4.340 -0.001 0.000 0.273 376 L C 1.519 178.388 176.870 -0.002 0.000 1.080 376 L CA -0.236 54.573 54.840 -0.052 0.000 0.803 376 L CB 1.850 43.873 42.059 -0.060 0.000 1.174 376 L HN 0.387 nan 8.230 nan 0.000 0.443 377 T N -3.653 110.902 114.554 0.003 0.000 3.073 377 T HA 0.127 4.476 4.350 -0.001 0.000 0.264 377 T C 0.288 175.014 174.700 0.044 0.000 0.893 377 T CA -0.124 61.993 62.100 0.028 0.000 0.863 377 T CB 0.543 69.444 68.868 0.054 0.000 1.247 377 T HN 0.423 nan 8.240 nan 0.000 0.546 378 S N -0.307 115.415 115.700 0.037 0.000 2.579 378 S HA 0.790 5.260 4.470 -0.001 0.000 0.272 378 S C -1.995 172.631 174.600 0.043 0.000 1.141 378 S CA -0.352 57.876 58.200 0.047 0.000 0.843 378 S CB 2.078 65.316 63.200 0.062 0.000 1.122 378 S HN 0.764 nan 8.310 nan 0.000 0.468 379 V N 3.699 123.643 119.914 0.050 0.000 3.077 379 V HA 0.775 4.895 4.120 -0.001 0.000 0.299 379 V C -2.360 173.818 176.094 0.141 0.000 1.276 379 V CA -0.431 61.907 62.300 0.063 0.000 0.993 379 V CB 2.157 33.953 31.823 -0.045 0.000 1.076 379 V HN 1.018 nan 8.190 nan 0.000 0.434 380 Y N 4.003 124.340 120.300 0.061 0.000 2.401 380 Y HA 0.786 5.336 4.550 -0.001 0.000 0.330 380 Y C -0.216 175.767 175.900 0.139 0.000 1.071 380 Y CA 0.159 58.312 58.100 0.089 0.000 1.049 380 Y CB 2.117 40.653 38.460 0.126 0.000 1.239 380 Y HN 0.931 nan 8.280 nan 0.000 0.437 381 G N 2.956 111.354 108.800 -0.669 0.000 2.542 381 G HA2 0.663 4.622 3.960 -0.001 0.000 0.311 381 G HA3 0.663 4.622 3.960 -0.001 0.000 0.311 381 G C -1.280 173.238 174.900 -0.638 0.000 1.298 381 G CA -0.546 44.242 45.100 -0.521 0.000 0.973 381 G HN 0.773 nan 8.290 nan 0.000 0.487 382 T N -2.384 111.970 114.554 -0.332 0.000 2.731 382 T HA 0.672 5.021 4.350 -0.001 0.000 0.300 382 T C -1.233 173.422 174.700 -0.075 0.000 1.283 382 T CA -0.729 61.274 62.100 -0.163 0.000 1.005 382 T CB 1.713 70.584 68.868 0.005 0.000 1.420 382 T HN 0.601 nan 8.240 nan 0.000 0.503 383 V N 1.633 121.529 119.914 -0.030 0.000 2.448 383 V HA 0.434 4.553 4.120 -0.001 0.000 0.295 383 V C 0.680 176.767 176.094 -0.013 0.000 1.025 383 V CA -0.524 61.758 62.300 -0.029 0.000 0.859 383 V CB 1.295 33.105 31.823 -0.022 0.000 0.988 383 V HN 0.912 nan 8.190 nan 0.000 0.431 384 V N 4.403 124.289 119.914 -0.045 0.000 2.465 384 V HA 0.007 4.127 4.120 -0.001 0.000 0.230 384 V C 1.767 177.835 176.094 -0.043 0.000 1.084 384 V CA 0.853 63.107 62.300 -0.077 0.000 1.092 384 V CB -0.206 31.468 31.823 -0.248 0.000 0.730 384 V HN 0.723 nan 8.190 nan 0.000 0.491 385 M N -0.272 119.304 119.600 -0.040 0.000 2.257 385 M HA 0.134 4.614 4.480 -0.001 0.000 0.260 385 M C 1.331 177.627 176.300 -0.006 0.000 1.102 385 M CA 1.708 57.008 55.300 -0.001 0.000 1.169 385 M CB -0.729 31.880 32.600 0.015 0.000 1.323 385 M HN 0.489 nan 8.290 nan 0.000 0.447 386 N N -1.176 117.513 118.700 -0.018 0.000 1.856 386 N HA 0.059 4.798 4.740 -0.001 0.000 0.223 386 N C -0.867 174.626 175.510 -0.028 0.000 1.438 386 N CA 0.014 53.054 53.050 -0.017 0.000 0.693 386 N CB 1.069 39.550 38.487 -0.011 0.000 1.051 386 N HN -0.044 nan 8.380 nan 0.000 0.563 387 R N 0.307 120.784 120.500 -0.039 0.000 2.486 387 R HA 0.495 4.835 4.340 -0.001 0.000 0.286 387 R C -0.418 175.845 176.300 -0.062 0.000 0.999 387 R CA -0.315 55.756 56.100 -0.049 0.000 0.993 387 R CB 0.307 30.577 30.300 -0.050 0.000 1.084 387 R HN -0.030 nan 8.270 nan 0.000 0.487 388 T N 1.687 116.198 114.554 -0.072 0.000 2.749 388 T HA 0.269 4.618 4.350 -0.001 0.000 0.295 388 T C 0.136 174.765 174.700 -0.119 0.000 0.936 388 T CA -0.377 61.667 62.100 -0.092 0.000 1.060 388 T CB 0.822 69.633 68.868 -0.096 0.000 0.904 388 T HN 0.142 nan 8.240 nan 0.000 0.500 389 V N 5.779 125.609 119.914 -0.141 0.000 2.417 389 V HA 0.466 4.586 4.120 -0.001 0.000 0.291 389 V C -0.210 175.694 176.094 -0.317 0.000 1.024 389 V CA -0.791 61.375 62.300 -0.224 0.000 0.861 389 V CB 1.249 32.967 31.823 -0.175 0.000 0.985 389 V HN 0.724 nan 8.190 nan 0.000 0.436 390 L N 5.343 126.347 121.223 -0.367 0.000 2.349 390 L HA 0.602 4.942 4.340 -0.001 0.000 0.278 390 L C -1.052 175.615 176.870 -0.340 0.000 0.996 390 L CA -0.261 54.409 54.840 -0.283 0.000 0.825 390 L CB 1.659 43.614 42.059 -0.173 0.000 1.243 390 L HN 0.440 nan 8.230 nan 0.000 0.412 391 F N 4.018 124.002 119.950 0.056 0.000 2.415 391 F HA 0.509 5.036 4.527 -0.001 0.000 0.348 391 F C -0.177 175.655 175.800 0.054 0.000 1.119 391 F CA -0.608 57.444 58.000 0.087 0.000 1.069 391 F CB 1.325 40.421 39.000 0.159 0.000 1.124 391 F HN 0.110 nan 8.300 nan 0.000 0.472 392 L N 2.555 123.887 121.223 0.181 0.000 2.346 392 L HA 0.686 5.026 4.340 -0.001 0.000 0.274 392 L C 0.291 177.209 176.870 0.080 0.000 1.007 392 L CA -0.689 54.200 54.840 0.082 0.000 0.818 392 L CB 1.400 43.449 42.059 -0.016 0.000 1.284 392 L HN 0.675 nan 8.230 nan 0.000 0.424 393 G N 0.440 109.273 108.800 0.054 0.000 2.417 393 G HA2 0.715 4.674 3.960 -0.001 0.000 0.334 393 G HA3 0.715 4.674 3.960 -0.001 0.000 0.334 393 G C -0.414 174.492 174.900 0.010 0.000 1.150 393 G CA -0.176 44.961 45.100 0.062 0.000 0.923 393 G HN 0.657 nan 8.290 nan 0.000 0.485 394 T N -2.302 112.268 114.554 0.027 0.000 2.907 394 T HA 0.570 4.919 4.350 -0.001 0.000 0.290 394 T C 1.308 176.045 174.700 0.062 0.000 1.066 394 T CA 0.125 62.232 62.100 0.012 0.000 1.012 394 T CB 1.683 70.550 68.868 -0.001 0.000 1.184 394 T HN 0.757 nan 8.240 nan 0.000 0.522 395 G N -0.082 108.760 108.800 0.071 0.000 2.598 395 G HA2 0.043 4.003 3.960 -0.001 0.000 0.215 395 G HA3 0.043 4.003 3.960 -0.001 0.000 0.215 395 G C 0.403 175.351 174.900 0.079 0.000 1.131 395 G CA 0.597 45.744 45.100 0.078 0.000 0.785 395 G HN 0.902 nan 8.290 nan 0.000 0.539 396 D N -1.708 118.739 120.400 0.080 0.000 2.463 396 D HA 0.344 4.984 4.640 -0.001 0.000 0.224 396 D C 1.408 177.748 176.300 0.068 0.000 1.174 396 D CA -0.059 53.983 54.000 0.070 0.000 0.829 396 D CB -0.105 40.735 40.800 0.067 0.000 0.993 396 D HN 0.188 nan 8.370 nan 0.000 0.497 397 G N 0.283 109.133 108.800 0.083 0.000 2.147 397 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.244 397 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.244 397 G C -0.126 174.833 174.900 0.098 0.000 1.005 397 G CA -0.280 44.878 45.100 0.096 0.000 0.713 397 G HN 0.419 nan 8.290 nan 0.000 0.515 398 Q N -0.991 118.862 119.800 0.088 0.000 2.230 398 Q HA 0.652 4.992 4.340 -0.001 0.000 0.253 398 Q C -0.501 175.571 176.000 0.121 0.000 0.919 398 Q CA -0.899 54.959 55.803 0.091 0.000 0.908 398 Q CB 2.050 30.831 28.738 0.072 0.000 1.245 398 Q HN 0.297 nan 8.270 nan 0.000 0.437 399 L N 4.269 125.591 121.223 0.166 0.000 2.301 399 L HA 0.395 4.735 4.340 -0.001 0.000 0.278 399 L C -1.394 175.583 176.870 0.179 0.000 1.022 399 L CA -0.042 54.910 54.840 0.186 0.000 0.854 399 L CB 0.508 42.703 42.059 0.227 0.000 1.226 399 L HN 0.529 nan 8.230 nan 0.000 0.429 400 L N 3.900 125.206 121.223 0.138 0.000 2.416 400 L HA 0.583 4.922 4.340 -0.001 0.000 0.262 400 L C -0.016 176.927 176.870 0.122 0.000 1.093 400 L CA -0.712 54.191 54.840 0.106 0.000 0.801 400 L CB 1.007 43.088 42.059 0.037 0.000 1.191 400 L HN 0.543 nan 8.230 nan 0.000 0.459 401 K N 0.731 121.164 120.400 0.055 0.000 2.535 401 K HA 0.603 4.922 4.320 -0.001 0.000 0.250 401 K C -1.956 174.596 176.600 -0.080 0.000 0.948 401 K CA -0.497 55.756 56.287 -0.057 0.000 0.796 401 K CB 2.226 34.717 32.500 -0.016 0.000 1.216 401 K HN 0.341 nan 8.250 nan 0.000 0.432 402 V N 5.923 125.748 119.914 -0.148 0.000 2.487 402 V HA 0.477 4.597 4.120 -0.001 0.000 0.298 402 V C -0.440 175.576 176.094 -0.132 0.000 1.028 402 V CA -0.766 61.472 62.300 -0.104 0.000 0.860 402 V CB 1.626 33.398 31.823 -0.084 0.000 0.991 402 V HN 0.678 nan 8.190 nan 0.000 0.427 403 I N 5.732 126.250 120.570 -0.086 0.000 2.339 403 I HA 0.405 4.575 4.170 -0.001 0.000 0.290 403 I C -0.270 175.806 176.117 -0.068 0.000 0.994 403 I CA -0.384 60.867 61.300 -0.082 0.000 1.191 403 I CB 1.440 39.410 38.000 -0.050 0.000 1.343 403 I HN 0.359 nan 8.210 nan 0.000 0.458 404 L N 5.562 126.738 121.223 -0.077 0.000 2.371 404 L HA 0.430 4.769 4.340 -0.001 0.000 0.272 404 L C 1.179 178.015 176.870 -0.056 0.000 1.124 404 L CA -0.080 54.719 54.840 -0.068 0.000 0.816 404 L CB 0.798 42.810 42.059 -0.078 0.000 1.129 404 L HN 0.745 nan 8.230 nan 0.000 0.448 405 G N 1.546 110.316 108.800 -0.050 0.000 3.372 405 G HA2 0.075 4.035 3.960 -0.001 0.000 0.178 405 G HA3 0.075 4.035 3.960 -0.001 0.000 0.178 405 G C 0.823 175.698 174.900 -0.041 0.000 1.817 405 G CA 0.334 45.408 45.100 -0.042 0.000 0.996 405 G HN 0.783 nan 8.290 nan 0.000 0.559 406 E N 0.548 120.726 120.200 -0.037 0.000 1.992 406 E HA -0.132 4.218 4.350 -0.001 0.000 0.202 406 E C 0.842 177.420 176.600 -0.037 0.000 1.007 406 E CA 1.295 57.675 56.400 -0.034 0.000 0.857 406 E CB -0.349 29.332 29.700 -0.031 0.000 0.796 406 E HN 0.264 nan 8.360 nan 0.000 0.486 407 N N 0.535 119.211 118.700 -0.040 0.000 2.597 407 N HA 0.234 4.974 4.740 -0.001 0.000 0.269 407 N C -0.773 174.704 175.510 -0.055 0.000 1.204 407 N CA 0.036 53.060 53.050 -0.044 0.000 0.947 407 N CB 0.144 38.605 38.487 -0.043 0.000 1.258 407 N HN 0.284 nan 8.380 nan 0.000 0.508 408 L N -1.418 119.772 121.223 -0.056 0.000 4.040 408 L HA -0.257 4.083 4.340 -0.001 0.000 0.410 408 L C 0.264 177.089 176.870 -0.074 0.000 1.187 408 L CA 0.369 55.167 54.840 -0.069 0.000 0.956 408 L CB -2.349 39.664 42.059 -0.077 0.000 2.022 408 L HN 0.308 nan 8.230 nan 0.000 0.897 409 T N 0.059 114.575 114.554 -0.063 0.000 2.884 409 T HA 0.396 4.745 4.350 -0.001 0.000 0.298 409 T C 0.768 175.433 174.700 -0.059 0.000 0.998 409 T CA 0.374 62.437 62.100 -0.062 0.000 1.124 409 T CB 0.868 69.706 68.868 -0.050 0.000 0.931 409 T HN 0.417 nan 8.240 nan 0.000 0.531 410 S N 5.435 121.099 115.700 -0.059 0.000 2.562 410 S HA 0.422 4.892 4.470 -0.001 0.000 0.275 410 S C 0.217 174.797 174.600 -0.034 0.000 1.281 410 S CA -1.027 57.142 58.200 -0.051 0.000 1.045 410 S CB 0.646 63.814 63.200 -0.052 0.000 0.962 410 S HN 0.900 nan 8.310 nan 0.000 0.503 411 N N 0.936 119.619 118.700 -0.030 0.000 2.671 411 N HA 0.297 5.037 4.740 -0.001 0.000 0.303 411 N C -0.808 174.699 175.510 -0.004 0.000 1.277 411 N CA -0.833 52.207 53.050 -0.016 0.000 0.933 411 N CB 0.210 38.687 38.487 -0.017 0.000 1.190 411 N HN 0.599 nan 8.380 nan 0.000 0.600 412 C N 1.951 121.255 119.300 0.006 0.000 2.576 412 C HA 0.323 4.782 4.460 -0.001 0.000 0.401 412 C C -1.682 173.323 174.990 0.024 0.000 1.314 412 C CA -0.679 58.351 59.018 0.020 0.000 1.855 412 C CB -0.227 27.527 27.740 0.022 0.000 2.537 412 C HN 0.575 nan 8.230 nan 0.000 0.578 413 P HA 0.076 nan 4.420 nan 0.000 0.268 413 P C -0.653 176.677 177.300 0.049 0.000 1.205 413 P CA 0.354 63.476 63.100 0.037 0.000 0.771 413 P CB 0.718 32.450 31.700 0.052 0.000 0.858 414 E N 1.841 122.072 120.200 0.051 0.000 2.166 414 E HA 0.282 4.632 4.350 -0.001 0.000 0.275 414 E C -0.838 175.810 176.600 0.080 0.000 0.941 414 E CA -0.970 55.469 56.400 0.065 0.000 0.784 414 E CB 1.400 31.145 29.700 0.074 0.000 1.115 414 E HN 0.148 nan 8.360 nan 0.000 0.399 415 V N 6.590 126.550 119.914 0.077 0.000 2.405 415 V HA 0.025 4.144 4.120 -0.001 0.000 0.264 415 V C 0.972 177.128 176.094 0.103 0.000 1.048 415 V CA 0.032 62.384 62.300 0.086 0.000 0.966 415 V CB 0.452 32.312 31.823 0.062 0.000 1.015 415 V HN 0.753 nan 8.190 nan 0.000 0.477 416 I N 4.583 125.243 120.570 0.150 0.000 2.703 416 I HA 0.164 4.334 4.170 -0.001 0.000 0.259 416 I C 0.240 176.505 176.117 0.246 0.000 1.151 416 I CA 0.876 62.287 61.300 0.185 0.000 1.470 416 I CB -0.100 38.036 38.000 0.226 0.000 1.112 416 I HN 0.658 nan 8.210 nan 0.000 0.437 417 Y N -0.313 120.032 120.300 0.076 0.000 2.592 417 Y HA 0.520 5.070 4.550 -0.001 0.000 0.334 417 Y C -1.166 174.770 175.900 0.061 0.000 1.136 417 Y CA -1.202 56.936 58.100 0.063 0.000 1.042 417 Y CB 1.343 39.841 38.460 0.064 0.000 1.325 417 Y HN -0.027 nan 8.280 nan 0.000 0.457 418 E N 4.842 124.621 120.200 -0.701 0.000 2.272 418 E HA 0.497 4.846 4.350 -0.001 0.000 0.269 418 E C -1.353 174.896 176.600 -0.585 0.000 0.877 418 E CA -0.878 55.273 56.400 -0.416 0.000 0.755 418 E CB 2.579 32.135 29.700 -0.241 0.000 1.192 418 E HN 0.522 nan 8.360 nan 0.000 0.422 419 I N 3.111 123.587 120.570 -0.158 0.000 2.342 419 I HA 0.082 4.252 4.170 -0.001 0.000 0.291 419 I C 1.663 177.758 176.117 -0.036 0.000 1.010 419 I CA -0.103 61.187 61.300 -0.016 0.000 1.308 419 I CB 1.028 39.096 38.000 0.113 0.000 1.400 419 I HN 0.577 nan 8.210 nan 0.000 0.488 420 K N 4.354 124.740 120.400 -0.024 0.000 2.020 420 K HA -0.219 4.101 4.320 -0.001 0.000 0.212 420 K C 1.245 177.849 176.600 0.007 0.000 1.050 420 K CA 1.994 58.273 56.287 -0.014 0.000 0.929 420 K CB 0.194 32.697 32.500 0.005 0.000 0.714 420 K HN 0.574 nan 8.250 nan 0.000 0.443 421 E N 0.669 120.885 120.200 0.027 0.000 2.482 421 E HA -0.044 4.305 4.350 -0.001 0.000 0.196 421 E C -0.449 176.172 176.600 0.036 0.000 1.047 421 E CA 0.480 56.899 56.400 0.031 0.000 0.869 421 E CB 0.146 29.869 29.700 0.039 0.000 0.836 421 E HN 0.300 nan 8.360 nan 0.000 0.520 422 E N -0.077 120.145 120.200 0.038 0.000 2.513 422 E HA -0.158 4.192 4.350 -0.001 0.000 0.257 422 E C -0.815 175.822 176.600 0.062 0.000 1.098 422 E CA 0.554 56.981 56.400 0.045 0.000 0.752 422 E CB -2.160 27.561 29.700 0.036 0.000 1.324 422 E HN 0.184 nan 8.360 nan 0.000 0.403 423 T N 2.416 117.014 114.554 0.074 0.000 2.834 423 T HA 0.218 4.567 4.350 -0.001 0.000 0.298 423 T C -1.802 172.961 174.700 0.104 0.000 0.966 423 T CA -0.921 61.231 62.100 0.087 0.000 1.141 423 T CB 0.734 69.659 68.868 0.094 0.000 0.905 423 T HN 0.045 nan 8.240 nan 0.000 0.535 424 P HA 0.076 nan 4.420 nan 0.000 0.265 424 P C -0.271 177.119 177.300 0.151 0.000 1.193 424 P CA -0.277 62.892 63.100 0.116 0.000 0.765 424 P CB 0.384 32.148 31.700 0.107 0.000 0.823 425 V N 4.901 124.905 119.914 0.149 0.000 2.572 425 V HA 0.004 4.124 4.120 -0.001 0.000 0.291 425 V C 0.946 177.184 176.094 0.240 0.000 1.039 425 V CA -0.189 62.221 62.300 0.184 0.000 1.055 425 V CB -0.655 31.256 31.823 0.148 0.000 0.969 425 V HN 0.416 nan 8.190 nan 0.000 0.482 426 F N 5.726 125.741 119.950 0.108 0.000 2.602 426 F HA 0.093 4.620 4.527 -0.001 0.000 0.367 426 F C 1.261 177.131 175.800 0.117 0.000 1.126 426 F CA -0.788 57.292 58.000 0.133 0.000 1.321 426 F CB 0.278 39.324 39.000 0.077 0.000 1.094 426 F HN 0.657 nan 8.300 nan 0.000 0.594 427 Y N 1.810 121.803 120.300 -0.513 0.000 2.716 427 Y HA 0.123 4.673 4.550 -0.001 0.000 0.302 427 Y C 0.095 175.838 175.900 -0.263 0.000 1.160 427 Y CA 0.226 58.116 58.100 -0.349 0.000 1.362 427 Y CB -0.477 37.779 38.460 -0.340 0.000 0.988 427 Y HN 0.320 nan 8.280 nan 0.000 0.546 428 K N 1.908 121.816 120.400 -0.819 0.000 2.425 428 K HA 0.442 4.762 4.320 -0.001 0.000 0.259 428 K C -1.469 175.105 176.600 -0.043 0.000 0.978 428 K CA -0.545 55.487 56.287 -0.424 0.000 0.883 428 K CB 1.472 33.694 32.500 -0.465 0.000 1.110 428 K HN 0.185 nan 8.250 nan 0.000 0.436 429 L N 4.131 125.340 121.223 -0.023 0.000 2.265 429 L HA 0.367 4.707 4.340 -0.001 0.000 0.289 429 L C -0.553 176.228 176.870 -0.148 0.000 1.033 429 L CA -1.003 53.824 54.840 -0.023 0.000 0.814 429 L CB 1.451 43.531 42.059 0.035 0.000 1.203 429 L HN 0.236 nan 8.230 nan 0.000 0.423 430 V N 5.742 125.582 119.914 -0.122 0.000 2.370 430 V HA 0.389 4.508 4.120 -0.001 0.000 0.283 430 V C -1.888 174.082 176.094 -0.207 0.000 1.023 430 V CA -1.577 60.633 62.300 -0.150 0.000 0.857 430 V CB 1.492 33.322 31.823 0.012 0.000 0.985 430 V HN 0.578 nan 8.190 nan 0.000 0.443 431 P HA 0.150 nan 4.420 nan 0.000 0.276 431 P C -0.851 176.401 177.300 -0.080 0.000 1.252 431 P CA -0.394 62.493 63.100 -0.356 0.000 0.802 431 P CB 1.018 32.459 31.700 -0.431 0.000 1.035 432 D N 1.814 122.137 120.400 -0.128 0.000 2.317 432 D HA 0.084 4.723 4.640 -0.001 0.000 0.252 432 D C -1.216 175.085 176.300 0.002 0.000 1.174 432 D CA -1.997 51.994 54.000 -0.015 0.000 0.866 432 D CB 0.891 41.606 40.800 -0.142 0.000 1.127 432 D HN 0.191 nan 8.370 nan 0.000 0.467 433 P HA -0.081 nan 4.420 nan 0.000 0.222 433 P C 1.382 178.642 177.300 -0.066 0.000 1.153 433 P CA 0.302 63.412 63.100 0.016 0.000 0.798 433 P CB 0.696 32.441 31.700 0.076 0.000 0.796 434 V N -0.160 119.645 119.914 -0.181 0.000 2.283 434 V HA -0.015 4.105 4.120 -0.001 0.000 0.239 434 V C 0.887 176.896 176.094 -0.141 0.000 1.035 434 V CA 1.521 63.683 62.300 -0.230 0.000 1.018 434 V CB -0.865 30.680 31.823 -0.464 0.000 0.658 434 V HN 0.026 nan 8.190 nan 0.000 0.459 435 K N 1.724 122.053 120.400 -0.118 0.000 2.234 435 K HA 0.283 4.603 4.320 -0.001 0.000 0.277 435 K C 0.852 177.398 176.600 -0.091 0.000 1.038 435 K CA -0.128 56.118 56.287 -0.068 0.000 0.888 435 K CB 0.461 33.006 32.500 0.074 0.000 1.091 435 K HN 0.023 nan 8.250 nan 0.000 0.467 436 N N 3.126 121.752 118.700 -0.125 0.000 2.396 436 N HA -0.098 4.642 4.740 -0.001 0.000 0.180 436 N C 0.963 176.338 175.510 -0.225 0.000 1.028 436 N CA 0.823 53.806 53.050 -0.111 0.000 0.893 436 N CB 0.239 38.686 38.487 -0.067 0.000 0.967 436 N HN 0.735 nan 8.380 nan 0.000 0.440 437 I N -2.790 117.519 120.570 -0.434 0.000 3.564 437 I HA 0.112 4.281 4.170 -0.001 0.000 0.294 437 I C -0.404 175.266 176.117 -0.744 0.000 1.289 437 I CA -0.028 60.784 61.300 -0.813 0.000 1.325 437 I CB -0.314 36.916 38.000 -1.283 0.000 1.039 437 I HN -0.203 nan 8.210 nan 0.000 0.474 438 Y N 1.267 121.343 120.300 -0.374 0.000 2.509 438 Y HA 0.722 5.272 4.550 -0.001 0.000 0.341 438 Y C -0.342 175.258 175.900 -0.500 0.000 1.038 438 Y CA -1.357 56.494 58.100 -0.415 0.000 1.089 438 Y CB 2.128 40.328 38.460 -0.433 0.000 1.241 438 Y HN -0.064 nan 8.280 nan 0.000 0.468 439 I N 1.600 121.954 120.570 -0.360 0.000 2.656 439 I HA 0.380 4.549 4.170 -0.001 0.000 0.292 439 I C -1.875 173.961 176.117 -0.469 0.000 1.144 439 I CA -0.858 60.151 61.300 -0.485 0.000 1.038 439 I CB 1.367 39.001 38.000 -0.610 0.000 1.244 439 I HN 0.469 nan 8.210 nan 0.000 0.420 440 Y N 7.034 127.223 120.300 -0.185 0.000 2.365 440 Y HA 0.403 4.952 4.550 -0.001 0.000 0.340 440 Y C -0.232 175.600 175.900 -0.112 0.000 1.016 440 Y CA -0.302 57.715 58.100 -0.138 0.000 1.196 440 Y CB 1.173 39.561 38.460 -0.121 0.000 1.167 440 Y HN 0.383 nan 8.280 nan 0.000 0.509 441 L N 4.280 125.535 121.223 0.052 0.000 2.272 441 L HA 0.559 4.898 4.340 -0.001 0.000 0.289 441 L C -0.304 176.620 176.870 0.092 0.000 1.032 441 L CA 0.070 54.941 54.840 0.051 0.000 0.810 441 L CB 0.986 43.048 42.059 0.006 0.000 1.205 441 L HN 0.550 nan 8.230 nan 0.000 0.422 442 T N 4.414 119.041 114.554 0.122 0.000 2.855 442 T HA 0.901 5.250 4.350 -0.001 0.000 0.281 442 T C -0.838 173.959 174.700 0.161 0.000 1.007 442 T CA -0.376 61.787 62.100 0.104 0.000 1.009 442 T CB 1.566 70.456 68.868 0.036 0.000 0.983 442 T HN 0.833 nan 8.240 nan 0.000 0.455 443 A N 1.607 124.498 122.820 0.120 0.000 2.500 443 A HA 0.746 5.066 4.320 -0.001 0.000 0.291 443 A C 0.611 178.259 177.584 0.106 0.000 1.048 443 A CA 0.003 52.130 52.037 0.150 0.000 0.791 443 A CB 0.639 19.730 19.000 0.151 0.000 1.309 443 A HN 1.446 nan 8.150 nan 0.000 0.397 444 G N 2.535 111.405 108.800 0.117 0.000 2.620 444 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.315 444 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.315 444 G C 0.721 175.653 174.900 0.054 0.000 1.179 444 G CA 1.088 46.241 45.100 0.089 0.000 0.971 444 G HN 1.130 nan 8.290 nan 0.000 0.544 445 K N 1.545 121.971 120.400 0.043 0.000 2.387 445 K HA 0.314 4.634 4.320 -0.001 0.000 0.203 445 K C 0.150 176.764 176.600 0.023 0.000 1.030 445 K CA 0.146 56.448 56.287 0.024 0.000 1.099 445 K CB 0.948 33.445 32.500 -0.005 0.000 0.863 445 K HN 0.576 nan 8.250 nan 0.000 0.529 446 E N 1.045 121.275 120.200 0.049 0.000 2.212 446 E HA 0.366 4.716 4.350 -0.001 0.000 0.268 446 E C -1.142 175.523 176.600 0.108 0.000 0.902 446 E CA -0.857 55.589 56.400 0.075 0.000 0.779 446 E CB 2.774 32.510 29.700 0.059 0.000 1.172 446 E HN -0.199 nan 8.360 nan 0.000 0.409 447 V N 2.921 122.930 119.914 0.159 0.000 2.487 447 V HA 0.474 4.594 4.120 -0.001 0.000 0.298 447 V C -0.299 175.867 176.094 0.121 0.000 1.028 447 V CA -0.782 61.591 62.300 0.122 0.000 0.860 447 V CB 1.466 33.339 31.823 0.083 0.000 0.991 447 V HN 0.589 nan 8.190 nan 0.000 0.427 448 R N 2.800 123.352 120.500 0.088 0.000 2.803 448 R HA 0.636 4.976 4.340 -0.001 0.000 0.276 448 R C -0.529 175.787 176.300 0.027 0.000 0.978 448 R CA -0.979 55.138 56.100 0.028 0.000 0.939 448 R CB 2.593 32.846 30.300 -0.079 0.000 1.179 448 R HN 0.571 nan 8.270 nan 0.000 0.472 449 R N 2.570 123.039 120.500 -0.052 0.000 2.233 449 R HA 0.285 4.625 4.340 -0.001 0.000 0.334 449 R C -0.999 175.195 176.300 -0.177 0.000 1.037 449 R CA -0.483 55.492 56.100 -0.208 0.000 0.920 449 R CB 0.271 30.386 30.300 -0.310 0.000 1.137 449 R HN 0.378 nan 8.270 nan 0.000 0.492 450 I N 3.304 123.770 120.570 -0.173 0.000 2.437 450 I HA 0.347 4.517 4.170 -0.001 0.000 0.298 450 I C 0.537 176.666 176.117 0.021 0.000 0.984 450 I CA -0.602 60.624 61.300 -0.123 0.000 1.214 450 I CB 1.579 39.425 38.000 -0.258 0.000 1.365 450 I HN 0.366 nan 8.210 nan 0.000 0.469 451 R N 3.303 123.817 120.500 0.023 0.000 2.389 451 R HA 0.180 4.519 4.340 -0.001 0.000 0.295 451 R C 1.307 177.576 176.300 -0.052 0.000 1.075 451 R CA -0.259 55.772 56.100 -0.114 0.000 1.005 451 R CB 0.915 31.205 30.300 -0.017 0.000 0.987 451 R HN 0.677 nan 8.270 nan 0.000 0.452 452 V N 0.149 119.968 119.914 -0.158 0.000 2.867 452 V HA 0.036 4.155 4.120 -0.001 0.000 0.260 452 V C 0.589 176.773 176.094 0.151 0.000 1.099 452 V CA 1.509 63.763 62.300 -0.077 0.000 1.122 452 V CB -0.760 30.849 31.823 -0.356 0.000 0.708 452 V HN 0.723 nan 8.190 nan 0.000 0.490 453 A N -0.128 122.835 122.820 0.239 0.000 2.604 453 A HA 0.720 5.040 4.320 -0.001 0.000 0.295 453 A C -1.166 176.484 177.584 0.111 0.000 1.067 453 A CA -0.740 51.436 52.037 0.232 0.000 0.683 453 A CB 0.829 20.019 19.000 0.317 0.000 1.281 453 A HN 0.319 nan 8.150 nan 0.000 0.407 454 N N 0.893 119.628 118.700 0.058 0.000 2.699 454 N HA 0.373 5.113 4.740 -0.001 0.000 0.232 454 N C 0.384 175.866 175.510 -0.047 0.000 1.027 454 N CA -0.392 52.645 53.050 -0.021 0.000 0.920 454 N CB 0.834 39.323 38.487 0.003 0.000 1.148 454 N HN 0.575 nan 8.380 nan 0.000 0.509 455 c N 0.551 119.050 118.600 -0.167 0.000 2.505 455 c HA 0.033 4.602 4.570 -0.001 0.000 0.279 455 c C 2.391 176.483 174.090 0.004 0.000 1.316 455 c CA 0.191 56.480 56.329 -0.067 0.000 1.720 455 c CB -0.879 41.467 42.510 -0.274 0.000 2.050 455 c HN 0.757 nan 8.230 nan 0.000 0.493 456 N N 1.657 120.307 118.700 -0.083 0.000 2.443 456 N HA -0.133 4.606 4.740 -0.001 0.000 0.184 456 N C 1.746 177.244 175.510 -0.020 0.000 1.037 456 N CA 0.996 54.020 53.050 -0.044 0.000 0.896 456 N CB -0.259 38.188 38.487 -0.066 0.000 0.959 456 N HN 0.673 nan 8.380 nan 0.000 0.442 457 K N -1.247 119.109 120.400 -0.074 0.000 2.209 457 K HA -0.120 4.199 4.320 -0.001 0.000 0.204 457 K C -0.029 176.487 176.600 -0.139 0.000 1.048 457 K CA 0.859 57.064 56.287 -0.136 0.000 0.940 457 K CB -0.335 32.027 32.500 -0.229 0.000 0.729 457 K HN 0.299 nan 8.250 nan 0.000 0.451 458 H N 1.245 120.352 119.070 0.061 0.000 2.580 458 H HA 0.173 4.728 4.556 -0.001 0.000 0.322 458 H C -0.180 175.256 175.328 0.180 0.000 1.082 458 H CA -0.095 56.016 56.048 0.105 0.000 1.383 458 H CB 1.785 31.621 29.762 0.124 0.000 1.450 458 H HN 0.015 nan 8.280 nan 0.000 0.505 459 K N 0.771 121.345 120.400 0.290 0.000 2.478 459 K HA 0.123 4.443 4.320 -0.001 0.000 0.205 459 K C -0.185 176.607 176.600 0.321 0.000 1.033 459 K CA -0.203 56.268 56.287 0.307 0.000 1.091 459 K CB 0.837 33.437 32.500 0.166 0.000 0.844 459 K HN 0.439 nan 8.250 nan 0.000 0.507 460 S N -1.689 114.111 115.700 0.167 0.000 2.546 460 S HA 0.186 4.656 4.470 -0.001 0.000 0.274 460 S C 0.859 174.982 174.600 -0.795 0.000 1.121 460 S CA -0.855 57.149 58.200 -0.326 0.000 0.887 460 S CB 1.030 64.125 63.200 -0.176 0.000 1.094 460 S HN 0.208 nan 8.310 nan 0.000 0.474 461 c N 3.215 120.909 118.600 -1.510 0.000 2.436 461 c HA -0.004 4.566 4.570 -0.001 0.000 0.277 461 c C 3.115 176.882 174.090 -0.538 0.000 1.241 461 c CA 2.147 57.668 56.329 -1.347 0.000 1.721 461 c CB -1.806 39.860 42.510 -1.407 0.000 2.043 461 c HN 1.068 nan 8.230 nan 0.000 0.472 462 S N 0.077 115.529 115.700 -0.413 0.000 2.368 462 S HA -0.219 4.250 4.470 -0.001 0.000 0.225 462 S C 1.969 176.453 174.600 -0.193 0.000 1.030 462 S CA 1.765 59.818 58.200 -0.246 0.000 0.999 462 S CB -0.869 62.217 63.200 -0.190 0.000 0.844 462 S HN 0.799 nan 8.310 nan 0.000 0.459 463 E N 0.225 120.317 120.200 -0.179 0.000 2.204 463 E HA -0.155 4.195 4.350 -0.001 0.000 0.195 463 E C 2.028 178.527 176.600 -0.168 0.000 0.990 463 E CA 1.091 57.433 56.400 -0.097 0.000 0.821 463 E CB -0.266 29.425 29.700 -0.015 0.000 0.750 463 E HN 0.668 nan 8.360 nan 0.000 0.477 464 c N -0.215 118.247 118.600 -0.230 0.000 2.518 464 c HA 0.180 4.750 4.570 -0.001 0.000 0.283 464 c C 2.458 176.356 174.090 -0.320 0.000 1.351 464 c CA -0.172 55.905 56.329 -0.421 0.000 1.745 464 c CB -0.780 41.694 42.510 -0.059 0.000 2.107 464 c HN 0.388 nan 8.230 nan 0.000 0.502 465 L N 1.298 122.401 121.223 -0.199 0.000 2.478 465 L HA 0.014 4.354 4.340 -0.001 0.000 0.223 465 L C 2.446 179.232 176.870 -0.140 0.000 1.140 465 L CA 1.653 56.397 54.840 -0.159 0.000 0.842 465 L CB -1.004 40.968 42.059 -0.146 0.000 0.953 465 L HN 0.552 nan 8.230 nan 0.000 0.452 466 T N -3.102 111.365 114.554 -0.145 0.000 3.067 466 T HA 0.075 4.425 4.350 -0.001 0.000 0.261 466 T C 1.895 176.544 174.700 -0.085 0.000 1.110 466 T CA 0.654 62.693 62.100 -0.101 0.000 1.113 466 T CB 0.054 68.872 68.868 -0.084 0.000 0.917 466 T HN 0.267 nan 8.240 nan 0.000 0.499 467 A N 2.278 125.023 122.820 -0.125 0.000 2.119 467 A HA 0.198 4.518 4.320 -0.001 0.000 0.217 467 A C 1.679 179.242 177.584 -0.035 0.000 1.153 467 A CA 1.278 53.272 52.037 -0.073 0.000 0.692 467 A CB -1.405 17.508 19.000 -0.144 0.000 0.799 467 A HN 1.185 nan 8.150 nan 0.000 0.458 468 T N -1.235 113.285 114.554 -0.056 0.000 3.626 468 T HA -0.194 4.156 4.350 -0.001 0.000 0.393 468 T C -0.489 174.209 174.700 -0.003 0.000 0.765 468 T CA 0.853 62.932 62.100 -0.036 0.000 2.006 468 T CB -2.069 66.779 68.868 -0.034 0.000 1.739 468 T HN 0.591 nan 8.240 nan 0.000 0.720 469 D N 1.984 122.398 120.400 0.022 0.000 2.453 469 D HA 0.314 4.953 4.640 -0.001 0.000 0.238 469 D C -0.857 175.507 176.300 0.107 0.000 1.088 469 D CA -2.319 51.733 54.000 0.087 0.000 0.854 469 D CB 2.053 42.946 40.800 0.154 0.000 1.076 469 D HN 0.174 nan 8.370 nan 0.000 0.533 470 P HA -0.178 nan 4.420 nan 0.000 0.222 470 P C 0.962 178.340 177.300 0.130 0.000 1.142 470 P CA 0.988 64.108 63.100 0.033 0.000 0.788 470 P CB 0.311 31.966 31.700 -0.075 0.000 0.767 471 H N -1.290 117.961 119.070 0.303 0.000 2.482 471 H HA 0.075 4.630 4.556 -0.001 0.000 0.286 471 H C 0.762 176.458 175.328 0.614 0.000 1.017 471 H CA 0.361 56.678 56.048 0.448 0.000 1.322 471 H CB -0.126 29.930 29.762 0.490 0.000 1.426 471 H HN 0.206 nan 8.280 nan 0.000 0.546 472 c N 0.990 119.908 118.600 0.530 0.000 2.366 472 c HA 0.737 5.307 4.570 -0.001 0.000 0.345 472 c C 1.107 175.372 174.090 0.292 0.000 1.209 472 c CA -0.516 56.063 56.329 0.417 0.000 2.050 472 c CB 1.203 43.838 42.510 0.208 0.000 2.359 472 c HN 0.538 nan 8.230 nan 0.000 0.527 473 G N 0.863 109.832 108.800 0.283 0.000 2.720 473 G HA2 0.486 4.445 3.960 -0.001 0.000 0.295 473 G HA3 0.486 4.445 3.960 -0.001 0.000 0.295 473 G C -1.604 173.204 174.900 -0.152 0.000 1.437 473 G CA -0.319 44.495 45.100 -0.477 0.000 0.886 473 G HN 0.838 nan 8.290 nan 0.000 0.509 474 W N 2.366 123.448 121.300 -0.363 0.000 2.388 474 W HA 0.413 5.073 4.660 -0.001 0.000 0.308 474 W C -0.416 176.087 176.519 -0.026 0.000 1.263 474 W CA -0.859 56.413 57.345 -0.122 0.000 1.286 474 W CB 1.246 30.643 29.460 -0.105 0.000 1.294 474 W HN 0.465 nan 8.180 nan 0.000 0.493 475 c N 7.714 126.077 118.600 -0.396 0.000 2.322 475 c HA 0.065 4.634 4.570 -0.001 0.000 0.343 475 c C 1.951 175.848 174.090 -0.322 0.000 1.190 475 c CA -0.302 55.933 56.329 -0.157 0.000 1.704 475 c CB -0.831 41.612 42.510 -0.111 0.000 2.293 475 c HN 0.833 nan 8.230 nan 0.000 0.523 476 H N 3.166 122.192 119.070 -0.073 0.000 2.352 476 H HA -0.119 4.437 4.556 -0.001 0.000 0.299 476 H C 2.052 177.382 175.328 0.003 0.000 1.097 476 H CA 2.471 58.557 56.048 0.063 0.000 1.311 476 H CB 0.248 30.091 29.762 0.135 0.000 1.377 476 H HN 0.807 nan 8.280 nan 0.000 0.504 477 S N 0.210 115.896 115.700 -0.024 0.000 2.423 477 S HA -0.062 4.408 4.470 -0.001 0.000 0.231 477 S C 2.025 176.548 174.600 -0.129 0.000 1.014 477 S CA 1.056 59.214 58.200 -0.071 0.000 0.965 477 S CB -0.335 62.861 63.200 -0.008 0.000 0.785 477 S HN 0.441 nan 8.310 nan 0.000 0.495 478 L N -0.300 120.817 121.223 -0.177 0.000 2.766 478 L HA 0.317 4.656 4.340 -0.001 0.000 0.242 478 L C 0.278 177.000 176.870 -0.247 0.000 1.136 478 L CA -0.253 54.477 54.840 -0.184 0.000 0.933 478 L CB -0.240 41.715 42.059 -0.174 0.000 1.241 478 L HN 0.081 nan 8.230 nan 0.000 0.522 479 Q N 1.361 120.960 119.800 -0.336 0.000 2.453 479 Q HA -0.172 4.167 4.340 -0.001 0.000 0.294 479 Q C -0.367 175.218 176.000 -0.690 0.000 1.295 479 Q CA 1.066 56.685 55.803 -0.307 0.000 0.853 479 Q CB -1.182 27.567 28.738 0.018 0.000 1.193 479 Q HN 0.568 nan 8.270 nan 0.000 0.461 480 R N -1.135 118.689 120.500 -1.126 0.000 2.740 480 R HA 0.520 4.859 4.340 -0.001 0.000 0.273 480 R C -0.776 174.963 176.300 -0.934 0.000 0.998 480 R CA -0.683 54.883 56.100 -0.890 0.000 0.900 480 R CB 1.836 31.914 30.300 -0.369 0.000 1.223 480 R HN 0.221 nan 8.270 nan 0.000 0.466 481 c N 2.321 120.680 118.600 -0.401 0.000 2.325 481 c HA 0.601 5.170 4.570 -0.001 0.000 0.347 481 c C 0.558 174.626 174.090 -0.036 0.000 1.263 481 c CA 0.257 56.558 56.329 -0.047 0.000 1.806 481 c CB -0.359 42.306 42.510 0.258 0.000 2.405 481 c HN 0.829 nan 8.230 nan 0.000 0.537 482 T N 2.541 117.136 114.554 0.068 0.000 2.696 482 T HA 0.648 4.997 4.350 -0.001 0.000 0.291 482 T C -0.492 174.328 174.700 0.200 0.000 1.095 482 T CA -0.569 61.537 62.100 0.010 0.000 1.026 482 T CB 0.627 69.489 68.868 -0.010 0.000 1.390 482 T HN 0.257 nan 8.240 nan 0.000 0.513 483 F N 1.156 121.169 119.950 0.105 0.000 2.403 483 F HA 0.421 4.948 4.527 -0.001 0.000 0.320 483 F C 2.310 177.860 175.800 -0.418 0.000 1.176 483 F CA -0.935 57.068 58.000 0.004 0.000 1.206 483 F CB 0.743 39.701 39.000 -0.070 0.000 1.235 483 F HN 0.865 nan 8.300 nan 0.000 0.565 484 Q N 1.036 120.459 119.800 -0.627 0.000 2.135 484 Q HA -0.115 4.225 4.340 -0.001 0.000 0.204 484 Q C 1.980 177.690 176.000 -0.484 0.000 0.981 484 Q CA 1.876 56.915 55.803 -1.272 0.000 0.856 484 Q CB -0.411 27.698 28.738 -1.048 0.000 0.902 484 Q HN 0.980 nan 8.270 nan 0.000 0.425 485 G N -0.041 108.617 108.800 -0.237 0.000 2.484 485 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.218 485 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.218 485 G C 0.831 175.681 174.900 -0.083 0.000 1.130 485 G CA 0.704 45.732 45.100 -0.120 0.000 0.784 485 G HN 0.357 nan 8.290 nan 0.000 0.543 486 D N -0.705 119.655 120.400 -0.067 0.000 2.323 486 D HA 0.034 4.674 4.640 -0.001 0.000 0.209 486 D C 0.785 177.025 176.300 -0.100 0.000 0.973 486 D CA 0.157 54.130 54.000 -0.045 0.000 0.874 486 D CB 0.220 41.022 40.800 0.002 0.000 0.930 486 D HN 0.187 nan 8.370 nan 0.000 0.521 487 c N 1.357 119.844 118.600 -0.190 0.000 2.341 487 c HA 0.402 4.971 4.570 -0.001 0.000 0.338 487 c C 0.344 174.245 174.090 -0.314 0.000 1.257 487 c CA -0.699 55.495 56.329 -0.226 0.000 1.883 487 c CB 0.455 42.834 42.510 -0.218 0.000 2.334 487 c HN -0.104 nan 8.230 nan 0.000 0.524 488 V N 7.403 127.184 119.914 -0.221 0.000 2.572 488 V HA 0.239 4.358 4.120 -0.001 0.000 0.291 488 V C 0.402 176.340 176.094 -0.260 0.000 1.039 488 V CA 0.214 62.414 62.300 -0.167 0.000 1.055 488 V CB 0.233 32.013 31.823 -0.072 0.000 0.969 488 V HN 0.789 nan 8.190 nan 0.000 0.482 489 H N 2.702 121.778 119.070 0.010 0.000 2.499 489 H HA 0.681 5.236 4.556 -0.001 0.000 0.340 489 H C -0.098 175.247 175.328 0.030 0.000 1.148 489 H CA -0.317 55.750 56.048 0.031 0.000 1.215 489 H CB 2.157 31.928 29.762 0.015 0.000 1.529 489 H HN 0.763 nan 8.280 nan 0.000 0.510 490 S N 1.171 116.977 115.700 0.176 0.000 2.536 490 S HA 0.183 4.652 4.470 -0.001 0.000 0.271 490 S C 0.342 175.002 174.600 0.100 0.000 1.134 490 S CA -0.914 57.349 58.200 0.106 0.000 0.897 490 S CB 2.435 65.679 63.200 0.073 0.000 1.094 490 S HN 0.436 nan 8.310 nan 0.000 0.473 491 E N 1.582 121.823 120.200 0.068 0.000 2.274 491 E HA -0.046 4.304 4.350 -0.001 0.000 0.194 491 E C 1.706 178.334 176.600 0.047 0.000 0.996 491 E CA 1.225 57.658 56.400 0.054 0.000 0.840 491 E CB -0.099 29.622 29.700 0.036 0.000 0.772 491 E HN 0.744 nan 8.360 nan 0.000 0.491 492 N N -0.110 118.617 118.700 0.046 0.000 2.424 492 N HA -0.032 4.707 4.740 -0.001 0.000 0.178 492 N C 0.325 175.858 175.510 0.039 0.000 1.060 492 N CA 0.313 53.385 53.050 0.037 0.000 0.901 492 N CB 0.504 39.009 38.487 0.031 0.000 0.979 492 N HN 0.118 nan 8.380 nan 0.000 0.451 493 L N 0.005 121.260 121.223 0.053 0.000 2.283 493 L HA 0.463 4.802 4.340 -0.001 0.000 0.259 493 L C -0.308 176.607 176.870 0.075 0.000 1.027 493 L CA -0.828 54.043 54.840 0.052 0.000 0.828 493 L CB 2.096 44.188 42.059 0.055 0.000 1.380 493 L HN -0.144 nan 8.230 nan 0.000 0.425 494 E N 0.959 121.193 120.200 0.057 0.000 2.546 494 E HA 0.119 4.468 4.350 -0.001 0.000 0.227 494 E C -0.113 176.540 176.600 0.089 0.000 1.009 494 E CA -0.121 56.329 56.400 0.084 0.000 0.813 494 E CB 0.886 30.611 29.700 0.042 0.000 1.269 494 E HN 0.453 nan 8.360 nan 0.000 0.432 495 N N 1.602 120.388 118.700 0.143 0.000 2.290 495 N HA -0.071 4.668 4.740 -0.001 0.000 0.179 495 N C -0.410 175.229 175.510 0.216 0.000 1.016 495 N CA 0.603 53.742 53.050 0.149 0.000 0.871 495 N CB 0.294 38.828 38.487 0.079 0.000 0.987 495 N HN 0.375 nan 8.380 nan 0.000 0.431 496 W N 1.426 122.757 121.300 0.051 0.000 2.283 496 W HA 0.445 5.104 4.660 -0.001 0.000 0.317 496 W C -1.322 175.284 176.519 0.145 0.000 1.042 496 W CA -0.857 56.541 57.345 0.088 0.000 1.348 496 W CB 0.208 29.752 29.460 0.141 0.000 1.216 496 W HN -0.165 nan 8.180 nan 0.000 0.404 497 L N 7.069 128.146 121.223 -0.243 0.000 2.283 497 L HA 0.165 4.505 4.340 -0.001 0.000 0.287 497 L C 0.548 177.044 176.870 -0.624 0.000 1.073 497 L CA -0.007 54.672 54.840 -0.268 0.000 0.822 497 L CB -0.140 41.872 42.059 -0.079 0.000 1.186 497 L HN 0.477 nan 8.230 nan 0.000 0.436 498 D N 2.325 122.398 120.400 -0.545 0.000 2.433 498 D HA 0.171 4.810 4.640 -0.001 0.000 0.255 498 D C 1.135 177.259 176.300 -0.293 0.000 1.226 498 D CA -0.530 53.117 54.000 -0.589 0.000 1.015 498 D CB 0.971 41.598 40.800 -0.288 0.000 1.091 498 D HN 0.179 nan 8.370 nan 0.000 0.527 499 I N 0.057 120.507 120.570 -0.200 0.000 2.353 499 I HA -0.177 3.992 4.170 -0.001 0.000 0.248 499 I C 2.316 178.381 176.117 -0.085 0.000 1.119 499 I CA 1.281 62.509 61.300 -0.120 0.000 1.417 499 I CB -1.713 36.243 38.000 -0.074 0.000 1.078 499 I HN 0.637 nan 8.210 nan 0.000 0.421 500 S N 1.153 116.814 115.700 -0.065 0.000 2.419 500 S HA -0.161 4.308 4.470 -0.001 0.000 0.233 500 S C 2.139 176.711 174.600 -0.047 0.000 1.016 500 S CA 1.447 59.621 58.200 -0.043 0.000 0.974 500 S CB -0.714 62.473 63.200 -0.022 0.000 0.786 500 S HN 0.579 nan 8.310 nan 0.000 0.492 501 S N 1.031 116.694 115.700 -0.061 0.000 2.387 501 S HA 0.439 4.909 4.470 -0.001 0.000 0.226 501 S C 1.288 175.852 174.600 -0.061 0.000 1.026 501 S CA 0.306 58.473 58.200 -0.055 0.000 0.972 501 S CB -1.175 61.988 63.200 -0.062 0.000 0.814 501 S HN 1.771 nan 8.310 nan 0.000 0.477 502 G N -0.149 108.606 108.800 -0.075 0.000 2.539 502 G HA2 0.342 4.302 3.960 -0.001 0.000 0.686 502 G HA3 0.342 4.302 3.960 -0.001 0.000 0.686 502 G C 0.308 175.154 174.900 -0.090 0.000 1.258 502 G CA -0.350 44.706 45.100 -0.074 0.000 0.846 502 G HN 0.996 nan 8.290 nan 0.000 0.647 503 A N 0.322 123.086 122.820 -0.092 0.000 2.123 503 A HA 0.199 4.519 4.320 -0.001 0.000 0.214 503 A C 2.142 179.663 177.584 -0.105 0.000 1.152 503 A CA 1.919 53.889 52.037 -0.111 0.000 0.728 503 A CB -0.332 18.602 19.000 -0.110 0.000 0.814 503 A HN 1.333 nan 8.150 nan 0.000 0.464 504 K N -0.003 120.347 120.400 -0.083 0.000 2.365 504 K HA 0.011 4.330 4.320 -0.001 0.000 0.199 504 K C 1.001 177.558 176.600 -0.071 0.000 1.045 504 K CA 1.091 57.335 56.287 -0.072 0.000 0.962 504 K CB -0.104 32.362 32.500 -0.057 0.000 0.759 504 K HN 0.240 nan 8.250 nan 0.000 0.469 505 K N 0.950 121.306 120.400 -0.074 0.000 2.476 505 K HA 0.122 4.442 4.320 -0.001 0.000 0.196 505 K C -0.321 176.235 176.600 -0.075 0.000 1.025 505 K CA -0.372 55.876 56.287 -0.066 0.000 1.138 505 K CB 0.049 32.514 32.500 -0.059 0.000 0.860 505 K HN 0.141 nan 8.250 nan 0.000 0.515 506 c N 1.482 120.022 118.600 -0.099 0.000 2.644 506 c HA 0.088 4.658 4.570 -0.001 0.000 0.417 506 c C -0.723 173.315 174.090 -0.086 0.000 1.304 506 c CA -1.433 54.821 56.329 -0.124 0.000 2.035 506 c CB 0.857 43.243 42.510 -0.207 0.000 2.673 506 c HN 0.319 nan 8.230 nan 0.000 0.602 507 P HA -0.105 nan 4.420 nan 0.000 0.217 507 P C 1.383 178.666 177.300 -0.027 0.000 1.151 507 P CA 1.859 64.951 63.100 -0.013 0.000 0.849 507 P CB 0.094 31.839 31.700 0.076 0.000 0.787 508 G N -1.141 107.624 108.800 -0.057 0.000 2.744 508 G HA2 0.192 4.151 3.960 -0.001 0.000 0.211 508 G HA3 0.192 4.151 3.960 -0.001 0.000 0.211 508 G C 0.342 175.205 174.900 -0.062 0.000 1.146 508 G CA 0.331 45.398 45.100 -0.056 0.000 0.787 508 G HN 0.447 nan 8.290 nan 0.000 0.534 509 A N 2.171 124.945 122.820 -0.077 0.000 2.422 509 A HA 0.158 4.478 4.320 -0.001 0.000 0.299 509 A C -0.342 177.210 177.584 -0.054 0.000 0.872 509 A CA -0.014 51.980 52.037 -0.072 0.000 1.207 509 A CB -0.584 18.377 19.000 -0.066 0.000 0.708 509 A HN 0.427 nan 8.150 nan 0.000 0.356 510 P HA 0.000 nan 4.420 nan 0.000 0.216 510 P CA 0.000 63.075 63.100 -0.042 0.000 0.800 510 P CB 0.000 31.675 31.700 -0.041 0.000 0.726