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 2jg1_1_B DATA FIRST_RESID -7 DATA SEQUENCE GLVPRGSHXI LTLTLNPSVD ISYPLTALKL DDVNRVQEVS KTAGGKGLNV DATA SEQUENCE TRVLAQVGEP VLASGFIGGE LGQFIAKKLD HADIKHAFYN IKGETRNCIA DATA SEQUENCE ILHEGQQTEI LEQGPEIDNQ EAAGFIKHFE QXXEKVEAVA ISGSLPKGLN DATA SEQUENCE QDYYAQIIER CQNKGVPVIL DCSGATLQTV LENPYKPTVI KPNISELYQL DATA SEQUENCE LNQPLDESLE SLKQAVSQPL FEGIEWIIVS LGAQGAFAKH NHTFYRVNIP DATA SEQUENCE TISVLNPVGS GDSTVAGITS AILNHENDHD LLKKANTLGX LNAQEAQTGY DATA SEQUENCE VNLNNYDDLF NQIEVLEV 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 -7 G HA2 0.000 nan 3.960 nan 0.000 0.244 -7 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 -7 G C 0.000 174.891 174.900 -0.015 0.000 0.946 -7 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 -6 L N 0.359 121.573 121.223 -0.015 0.000 2.379 -6 L HA 0.539 4.879 4.340 0.000 0.000 0.269 -6 L C 0.249 177.111 176.870 -0.014 0.000 1.084 -6 L CA -1.031 53.800 54.840 -0.014 0.000 0.802 -6 L CB 1.703 43.753 42.059 -0.015 0.000 1.175 -6 L HN 0.260 nan 8.230 nan 0.000 0.448 -5 V N 2.517 122.423 119.914 -0.014 0.000 2.432 -5 V HA 0.179 4.299 4.120 0.000 0.000 0.271 -5 V C -1.767 174.319 176.094 -0.012 0.000 1.046 -5 V CA -1.412 60.880 62.300 -0.014 0.000 0.945 -5 V CB 0.403 32.216 31.823 -0.016 0.000 0.992 -5 V HN 0.667 nan 8.190 nan 0.000 0.471 -4 P HA 0.262 nan 4.420 nan 0.000 0.268 -4 P C 0.349 177.644 177.300 -0.009 0.000 1.208 -4 P CA -0.174 62.923 63.100 -0.005 0.000 0.777 -4 P CB 0.561 32.267 31.700 0.009 0.000 0.875 -3 R N 0.562 121.056 120.500 -0.010 0.000 2.549 -3 R HA 0.241 4.581 4.340 0.000 0.000 0.344 -3 R C 0.967 177.258 176.300 -0.014 0.000 0.979 -3 R CA -0.046 56.045 56.100 -0.015 0.000 1.140 -3 R CB 0.928 31.218 30.300 -0.016 0.000 1.377 -3 R HN 0.637 nan 8.270 nan 0.000 0.541 -2 G N 0.000 108.797 108.800 -0.005 0.000 2.882 -2 G HA2 0.007 3.967 3.960 0.000 0.000 0.164 -2 G HA3 0.007 3.967 3.960 0.000 0.000 0.164 -2 G C 0.558 175.457 174.900 -0.002 0.000 1.429 -2 G CA 0.032 45.131 45.100 -0.001 0.000 1.059 -2 G HN 0.148 nan 8.290 nan 0.000 0.581 -1 S N -1.507 114.203 115.700 0.016 0.000 2.578 -1 S HA 0.236 4.706 4.470 0.000 0.000 0.231 -1 S C 0.471 175.085 174.600 0.024 0.000 0.994 -1 S CA -0.264 57.935 58.200 -0.001 0.000 0.956 -1 S CB -0.244 62.948 63.200 -0.012 0.000 0.870 -1 S HN 0.589 nan 8.310 nan 0.000 0.494 3 L N 6.210 127.383 121.223 -0.084 0.000 2.296 3 L HA 0.729 5.069 4.340 0.000 0.000 0.286 3 L C 0.109 176.975 176.870 -0.006 0.000 1.023 3 L CA 0.280 55.085 54.840 -0.058 0.000 0.812 3 L CB 1.532 43.541 42.059 -0.083 0.000 1.223 3 L HN 0.701 nan 8.230 nan 0.000 0.421 4 T N 2.851 117.404 114.554 -0.001 0.000 2.867 4 T HA 0.686 5.036 4.350 0.000 0.000 0.282 4 T C -0.530 174.204 174.700 0.056 0.000 1.000 4 T CA -0.768 61.348 62.100 0.026 0.000 1.042 4 T CB 1.345 70.227 68.868 0.023 0.000 0.973 4 T HN 0.352 nan 8.240 nan 0.000 0.465 5 L N 2.759 124.034 121.223 0.086 0.000 2.313 5 L HA 0.547 4.887 4.340 0.000 0.000 0.283 5 L C 0.165 177.107 176.870 0.121 0.000 1.013 5 L CA -0.230 54.680 54.840 0.116 0.000 0.816 5 L CB 1.847 43.995 42.059 0.149 0.000 1.236 5 L HN 0.952 nan 8.230 nan 0.000 0.419 6 T N 5.013 119.661 114.554 0.158 0.000 3.064 6 T HA 0.339 4.689 4.350 0.000 0.000 0.367 6 T C 1.398 176.224 174.700 0.210 0.000 1.202 6 T CA -0.353 61.868 62.100 0.203 0.000 1.133 6 T CB 0.432 69.458 68.868 0.262 0.000 1.074 6 T HN 0.372 nan 8.240 nan 0.000 0.519 7 L N 1.291 122.614 121.223 0.167 0.000 2.313 7 L HA 0.180 4.520 4.340 0.000 0.000 0.214 7 L C 1.102 178.117 176.870 0.241 0.000 1.119 7 L CA 0.705 55.654 54.840 0.180 0.000 0.809 7 L CB 0.028 42.184 42.059 0.162 0.000 0.933 7 L HN 0.399 nan 8.230 nan 0.000 0.449 8 N N 0.237 119.033 118.700 0.161 0.000 2.791 8 N HA 0.223 4.963 4.740 0.000 0.000 0.265 8 N C -2.497 173.065 175.510 0.087 0.000 1.580 8 N CA -1.662 51.451 53.050 0.105 0.000 0.809 8 N CB 0.929 39.452 38.487 0.060 0.000 1.178 8 N HN -0.069 nan 8.380 nan 0.000 0.499 9 P HA 0.265 nan 4.420 nan 0.000 0.274 9 P C -0.717 176.594 177.300 0.019 0.000 1.256 9 P CA -0.185 62.947 63.100 0.053 0.000 0.795 9 P CB 0.973 32.676 31.700 0.006 0.000 1.038 10 S N -1.367 114.342 115.700 0.014 0.000 2.564 10 S HA 0.415 4.885 4.470 0.000 0.000 0.274 10 S C -0.668 173.932 174.600 -0.000 0.000 1.124 10 S CA -0.851 57.347 58.200 -0.003 0.000 0.869 10 S CB 0.976 64.174 63.200 -0.004 0.000 1.105 10 S HN 0.147 nan 8.310 nan 0.000 0.472 11 V N 2.624 122.516 119.914 -0.037 0.000 2.372 11 V HA 0.284 4.404 4.120 0.000 0.000 0.261 11 V C -0.662 175.369 176.094 -0.105 0.000 1.055 11 V CA -0.354 61.900 62.300 -0.076 0.000 0.930 11 V CB 0.120 31.803 31.823 -0.233 0.000 1.031 11 V HN 0.813 nan 8.190 nan 0.000 0.479 12 D N 5.294 125.659 120.400 -0.058 0.000 2.295 12 D HA 0.424 5.064 4.640 0.000 0.000 0.248 12 D C -0.057 176.159 176.300 -0.140 0.000 1.154 12 D CA 0.126 54.080 54.000 -0.077 0.000 0.857 12 D CB 1.476 42.258 40.800 -0.031 0.000 1.117 12 D HN 0.367 nan 8.370 nan 0.000 0.468 13 I N 1.276 121.718 120.570 -0.213 0.000 2.339 13 I HA 0.168 4.339 4.170 0.000 0.000 0.290 13 I C 0.358 176.225 176.117 -0.417 0.000 0.994 13 I CA -0.588 60.493 61.300 -0.365 0.000 1.191 13 I CB 1.572 39.272 38.000 -0.499 0.000 1.343 13 I HN 0.109 nan 8.210 nan 0.000 0.458 14 S N 6.355 121.835 115.700 -0.367 0.000 2.456 14 S HA 0.507 4.977 4.470 0.000 0.000 0.316 14 S C -1.054 173.405 174.600 -0.235 0.000 1.089 14 S CA -0.348 57.709 58.200 -0.238 0.000 1.101 14 S CB 0.355 63.496 63.200 -0.098 0.000 0.995 14 S HN 0.416 nan 8.310 nan 0.000 0.468 15 Y N 5.609 125.913 120.300 0.007 0.000 2.587 15 Y HA 0.353 4.903 4.550 0.000 0.000 0.328 15 Y C -2.139 173.774 175.900 0.021 0.000 0.980 15 Y CA -2.439 55.664 58.100 0.005 0.000 1.272 15 Y CB 1.483 39.940 38.460 -0.005 0.000 1.094 15 Y HN 0.535 nan 8.280 nan 0.000 0.503 16 P HA 0.210 nan 4.420 nan 0.000 0.287 16 P C -0.768 176.592 177.300 0.100 0.000 1.307 16 P CA 0.101 63.268 63.100 0.112 0.000 0.777 16 P CB 1.156 32.899 31.700 0.072 0.000 0.883 17 L N 2.485 123.768 121.223 0.100 0.000 2.342 17 L HA 0.377 4.717 4.340 0.000 0.000 0.271 17 L C 1.682 178.594 176.870 0.070 0.000 1.008 17 L CA -0.537 54.344 54.840 0.068 0.000 0.818 17 L CB 1.653 43.740 42.059 0.048 0.000 1.296 17 L HN 0.201 nan 8.230 nan 0.000 0.427 18 T N 1.049 115.630 114.554 0.044 0.000 2.674 18 T HA 0.007 4.358 4.350 0.000 0.000 0.265 18 T C 0.425 175.157 174.700 0.054 0.000 1.039 18 T CA 1.495 63.619 62.100 0.041 0.000 1.150 18 T CB 0.062 68.945 68.868 0.024 0.000 0.864 18 T HN 0.668 nan 8.240 nan 0.000 0.427 19 A N 0.143 122.991 122.820 0.046 0.000 2.539 19 A HA 0.702 5.022 4.320 0.000 0.000 0.296 19 A C -1.638 175.958 177.584 0.020 0.000 1.073 19 A CA -0.795 51.278 52.037 0.059 0.000 0.700 19 A CB 1.221 20.244 19.000 0.038 0.000 1.296 19 A HN 0.247 nan 8.150 nan 0.000 0.405 20 L N 1.509 122.731 121.223 -0.001 0.000 2.268 20 L HA 0.413 4.753 4.340 0.000 0.000 0.289 20 L C -0.201 176.618 176.870 -0.085 0.000 1.064 20 L CA 0.069 54.830 54.840 -0.133 0.000 0.824 20 L CB 0.246 42.039 42.059 -0.443 0.000 1.202 20 L HN 0.556 nan 8.230 nan 0.000 0.433 21 K N 6.883 127.239 120.400 -0.073 0.000 2.284 21 K HA 0.352 4.672 4.320 0.000 0.000 0.287 21 K C -0.762 175.800 176.600 -0.063 0.000 1.081 21 K CA -0.401 55.855 56.287 -0.053 0.000 0.910 21 K CB 0.659 33.133 32.500 -0.043 0.000 1.088 21 K HN 0.588 nan 8.250 nan 0.000 0.478 22 L N 2.406 123.597 121.223 -0.052 0.000 2.397 22 L HA 0.041 4.381 4.340 0.000 0.000 0.271 22 L C 0.650 177.497 176.870 -0.039 0.000 1.148 22 L CA 0.008 54.818 54.840 -0.050 0.000 0.825 22 L CB 0.130 42.167 42.059 -0.037 0.000 1.117 22 L HN 0.757 nan 8.230 nan 0.000 0.456 23 D N 0.378 120.754 120.400 -0.040 0.000 2.945 23 D HA -0.199 4.441 4.640 0.000 0.000 0.225 23 D C -0.534 175.745 176.300 -0.035 0.000 1.158 23 D CA 1.111 55.092 54.000 -0.033 0.000 0.805 23 D CB -0.384 40.401 40.800 -0.025 0.000 1.098 23 D HN 0.714 nan 8.370 nan 0.000 0.426 24 D N -2.014 118.360 120.400 -0.044 0.000 2.626 24 D HA 0.434 5.074 4.640 0.000 0.000 0.278 24 D C -0.776 175.490 176.300 -0.056 0.000 1.211 24 D CA -0.503 53.471 54.000 -0.044 0.000 0.903 24 D CB 1.751 42.528 40.800 -0.039 0.000 1.408 24 D HN -0.121 nan 8.370 nan 0.000 0.454 25 V N 2.150 122.032 119.914 -0.055 0.000 2.583 25 V HA 0.338 4.458 4.120 0.000 0.000 0.287 25 V C 0.012 176.061 176.094 -0.075 0.000 1.051 25 V CA -0.237 62.023 62.300 -0.066 0.000 1.010 25 V CB 0.897 32.688 31.823 -0.054 0.000 0.988 25 V HN 0.367 nan 8.190 nan 0.000 0.478 26 N N 5.146 123.786 118.700 -0.101 0.000 2.442 26 N HA 0.386 5.126 4.740 0.000 0.000 0.274 26 N C -0.793 174.645 175.510 -0.121 0.000 1.002 26 N CA -0.651 52.335 53.050 -0.107 0.000 0.910 26 N CB 1.990 40.397 38.487 -0.133 0.000 1.244 26 N HN 0.518 nan 8.380 nan 0.000 0.492 27 R N 1.536 121.987 120.500 -0.083 0.000 2.196 27 R HA 0.281 4.621 4.340 0.000 0.000 0.340 27 R C 0.093 176.358 176.300 -0.058 0.000 1.043 27 R CA -0.550 55.507 56.100 -0.072 0.000 0.883 27 R CB 0.931 31.204 30.300 -0.045 0.000 1.078 27 R HN 0.292 nan 8.270 nan 0.000 0.462 28 V N 1.357 121.230 119.914 -0.069 0.000 2.607 28 V HA 0.117 4.237 4.120 0.000 0.000 0.289 28 V C 1.017 177.122 176.094 0.017 0.000 1.053 28 V CA -0.567 61.726 62.300 -0.011 0.000 0.996 28 V CB 1.574 33.422 31.823 0.041 0.000 0.995 28 V HN 0.742 nan 8.190 nan 0.000 0.476 29 Q N 1.467 121.285 119.800 0.030 0.000 2.287 29 Q HA 0.149 4.489 4.340 0.000 0.000 0.201 29 Q C 0.626 176.650 176.000 0.039 0.000 0.946 29 Q CA 0.572 56.392 55.803 0.028 0.000 0.868 29 Q CB 0.683 29.433 28.738 0.019 0.000 0.967 29 Q HN 0.897 nan 8.270 nan 0.000 0.516 30 E N 1.634 121.863 120.200 0.050 0.000 2.969 30 E HA 0.215 4.566 4.350 0.000 0.000 0.213 30 E C -1.281 175.355 176.600 0.060 0.000 1.107 30 E CA -0.275 56.151 56.400 0.044 0.000 1.007 30 E CB 1.228 30.947 29.700 0.030 0.000 1.326 30 E HN -0.090 nan 8.360 nan 0.000 0.432 31 V N 2.172 122.133 119.914 0.078 0.000 2.843 31 V HA 0.208 4.328 4.120 0.000 0.000 0.305 31 V C -0.367 175.724 176.094 -0.006 0.000 1.065 31 V CA 0.412 62.749 62.300 0.062 0.000 1.116 31 V CB 1.625 33.513 31.823 0.108 0.000 0.968 31 V HN 0.461 nan 8.190 nan 0.000 0.487 32 S N 6.102 121.766 115.700 -0.059 0.000 2.561 32 S HA 0.615 5.085 4.470 0.000 0.000 0.303 32 S C -0.908 173.645 174.600 -0.078 0.000 1.110 32 S CA -0.839 57.332 58.200 -0.047 0.000 1.034 32 S CB 0.874 64.053 63.200 -0.036 0.000 1.010 32 S HN 0.821 nan 8.310 nan 0.000 0.482 33 K N 3.036 123.426 120.400 -0.015 0.000 2.413 33 K HA 0.554 4.874 4.320 0.000 0.000 0.257 33 K C -0.775 175.939 176.600 0.190 0.000 0.946 33 K CA -0.725 55.560 56.287 -0.003 0.000 0.823 33 K CB 1.961 34.397 32.500 -0.107 0.000 1.109 33 K HN 0.747 nan 8.250 nan 0.000 0.427 34 T N -1.834 112.814 114.554 0.156 0.000 2.906 34 T HA 0.608 4.959 4.350 0.000 0.000 0.295 34 T C -0.364 174.471 174.700 0.226 0.000 1.075 34 T CA -1.074 61.134 62.100 0.180 0.000 1.005 34 T CB 1.755 70.662 68.868 0.066 0.000 1.136 34 T HN 0.477 nan 8.240 nan 0.000 0.498 35 A N 1.056 123.971 122.820 0.159 0.000 2.438 35 A HA 0.650 4.970 4.320 0.000 0.000 0.280 35 A C 0.765 178.394 177.584 0.075 0.000 1.160 35 A CA -0.032 52.071 52.037 0.110 0.000 0.821 35 A CB -0.850 18.168 19.000 0.030 0.000 1.101 35 A HN 1.263 nan 8.150 nan 0.000 0.515 36 G N 0.585 109.423 108.800 0.064 0.000 2.537 36 G HA2 0.825 4.785 3.960 0.000 0.000 0.323 36 G HA3 0.825 4.785 3.960 0.000 0.000 0.323 36 G C 0.009 174.944 174.900 0.059 0.000 1.207 36 G CA -0.389 44.742 45.100 0.053 0.000 0.976 36 G HN 1.963 nan 8.290 nan 0.000 0.487 37 G N -0.863 107.974 108.800 0.062 0.000 2.316 37 G HA2 0.055 4.016 3.960 0.000 0.000 0.468 37 G HA3 0.055 4.016 3.960 0.000 0.000 0.468 37 G C 0.229 175.175 174.900 0.076 0.000 1.523 37 G CA -0.251 44.894 45.100 0.074 0.000 0.972 37 G HN 0.656 nan 8.290 nan 0.000 0.667 38 K N 0.260 120.704 120.400 0.074 0.000 2.097 38 K HA 0.003 4.323 4.320 0.000 0.000 0.205 38 K C 2.640 179.281 176.600 0.067 0.000 1.050 38 K CA 1.453 57.779 56.287 0.065 0.000 0.938 38 K CB -0.072 32.463 32.500 0.059 0.000 0.718 38 K HN 0.641 nan 8.250 nan 0.000 0.442 39 G N 1.175 110.025 108.800 0.083 0.000 2.443 39 G HA2 -0.191 3.769 3.960 0.000 0.000 0.219 39 G HA3 -0.191 3.769 3.960 0.000 0.000 0.219 39 G C 1.415 176.371 174.900 0.094 0.000 1.131 39 G CA 0.457 45.607 45.100 0.084 0.000 0.775 39 G HN 0.093 nan 8.290 nan 0.000 0.547 40 L N 0.291 121.581 121.223 0.111 0.000 2.179 40 L HA 0.019 4.359 4.340 0.000 0.000 0.208 40 L C 2.553 179.474 176.870 0.086 0.000 1.096 40 L CA 0.314 55.223 54.840 0.114 0.000 0.779 40 L CB -0.322 41.814 42.059 0.128 0.000 0.922 40 L HN 0.095 nan 8.230 nan 0.000 0.443 41 N N 0.128 118.872 118.700 0.074 0.000 2.084 41 N HA -0.151 4.589 4.740 0.000 0.000 0.190 41 N C 1.934 177.475 175.510 0.052 0.000 1.030 41 N CA 1.278 54.367 53.050 0.065 0.000 0.849 41 N CB -0.625 37.897 38.487 0.058 0.000 1.012 41 N HN 0.076 nan 8.380 nan 0.000 0.423 42 V N 1.396 121.336 119.914 0.043 0.000 2.282 42 V HA -0.262 3.858 4.120 0.000 0.000 0.249 42 V C 2.269 178.378 176.094 0.024 0.000 1.057 42 V CA 2.084 64.399 62.300 0.025 0.000 1.032 42 V CB -1.180 30.653 31.823 0.016 0.000 0.645 42 V HN 0.369 nan 8.190 nan 0.000 0.447 43 T N -0.518 114.061 114.554 0.041 0.000 2.684 43 T HA -0.217 4.133 4.350 0.000 0.000 0.267 43 T C 2.073 176.798 174.700 0.043 0.000 1.036 43 T CA 1.668 63.793 62.100 0.042 0.000 1.148 43 T CB -0.271 68.639 68.868 0.070 0.000 0.863 43 T HN 0.405 nan 8.240 nan 0.000 0.436 44 R N 0.260 120.795 120.500 0.058 0.000 2.073 44 R HA -0.056 4.284 4.340 0.000 0.000 0.234 44 R C 2.555 178.884 176.300 0.048 0.000 1.134 44 R CA 1.157 57.296 56.100 0.066 0.000 0.952 44 R CB -0.742 29.612 30.300 0.090 0.000 0.850 44 R HN 0.247 nan 8.270 nan 0.000 0.433 45 V N 1.555 121.489 119.914 0.034 0.000 2.343 45 V HA -0.231 3.889 4.120 0.000 0.000 0.247 45 V C 2.344 178.430 176.094 -0.014 0.000 1.051 45 V CA 1.580 63.884 62.300 0.005 0.000 1.036 45 V CB -0.441 31.384 31.823 0.003 0.000 0.654 45 V HN 0.300 nan 8.190 nan 0.000 0.451 46 L N 0.105 121.321 121.223 -0.012 0.000 2.042 46 L HA -0.204 4.136 4.340 0.000 0.000 0.210 46 L C 2.710 179.562 176.870 -0.030 0.000 1.076 46 L CA 1.698 56.520 54.840 -0.030 0.000 0.749 46 L CB -0.734 41.306 42.059 -0.031 0.000 0.893 46 L HN 0.382 nan 8.230 nan 0.000 0.432 47 A N -0.870 121.945 122.820 -0.009 0.000 1.930 47 A HA -0.219 4.101 4.320 0.000 0.000 0.217 47 A C 2.213 179.790 177.584 -0.012 0.000 1.175 47 A CA 1.306 53.340 52.037 -0.005 0.000 0.627 47 A CB -0.375 18.636 19.000 0.019 0.000 0.815 47 A HN 0.459 nan 8.150 nan 0.000 0.443 48 Q N -0.447 119.346 119.800 -0.011 0.000 2.050 48 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 48 Q C 2.129 178.089 176.000 -0.067 0.000 0.980 48 Q CA 1.700 57.486 55.803 -0.029 0.000 0.840 48 Q CB -0.361 28.352 28.738 -0.043 0.000 0.898 48 Q HN 0.488 nan 8.270 nan 0.000 0.424 49 V N -0.240 119.626 119.914 -0.080 0.000 2.568 49 V HA -0.172 3.948 4.120 0.000 0.000 0.253 49 V C 1.468 177.500 176.094 -0.104 0.000 1.072 49 V CA 1.661 63.890 62.300 -0.118 0.000 1.084 49 V CB -0.756 31.001 31.823 -0.109 0.000 0.676 49 V HN 0.733 nan 8.190 nan 0.000 0.469 50 G N -0.128 108.629 108.800 -0.071 0.000 2.130 50 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 50 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 50 G C -0.139 174.729 174.900 -0.054 0.000 0.999 50 G CA -0.048 45.017 45.100 -0.058 0.000 0.686 50 G HN 0.462 nan 8.290 nan 0.000 0.515 51 E N 1.090 121.254 120.200 -0.061 0.000 2.366 51 E HA 0.356 4.707 4.350 0.000 0.000 0.266 51 E C -2.071 174.491 176.600 -0.064 0.000 1.051 51 E CA -1.621 54.738 56.400 -0.068 0.000 0.884 51 E CB 0.877 30.523 29.700 -0.090 0.000 1.006 51 E HN 0.275 nan 8.360 nan 0.000 0.417 52 P HA 0.086 nan 4.420 nan 0.000 0.271 52 P C -0.562 176.686 177.300 -0.087 0.000 1.233 52 P CA 0.016 63.075 63.100 -0.068 0.000 0.764 52 P CB 0.776 32.437 31.700 -0.065 0.000 0.825 53 V N 5.252 125.129 119.914 -0.061 0.000 2.888 53 V HA 0.558 4.678 4.120 0.000 0.000 0.309 53 V C -1.496 174.573 176.094 -0.043 0.000 1.114 53 V CA -1.010 61.257 62.300 -0.056 0.000 0.940 53 V CB 2.470 34.269 31.823 -0.040 0.000 1.021 53 V HN 0.381 nan 8.190 nan 0.000 0.426 54 L N 5.975 127.166 121.223 -0.053 0.000 2.362 54 L HA 0.969 5.310 4.340 0.000 0.000 0.275 54 L C -0.063 176.771 176.870 -0.060 0.000 0.998 54 L CA -0.020 54.788 54.840 -0.053 0.000 0.820 54 L CB 1.657 43.668 42.059 -0.081 0.000 1.270 54 L HN 0.885 nan 8.230 nan 0.000 0.415 55 A N 3.491 126.276 122.820 -0.059 0.000 2.290 55 A HA 0.809 5.130 4.320 0.000 0.000 0.310 55 A C -0.257 177.031 177.584 -0.493 0.000 1.202 55 A CA -0.179 51.765 52.037 -0.155 0.000 0.837 55 A CB 1.024 20.020 19.000 -0.006 0.000 1.139 55 A HN 0.766 nan 8.150 nan 0.000 0.509 56 S N 0.706 116.111 115.700 -0.491 0.000 2.806 56 S HA 0.960 5.430 4.470 0.000 0.000 0.306 56 S C 0.094 174.478 174.600 -0.360 0.000 1.167 56 S CA 0.409 58.255 58.200 -0.591 0.000 0.847 56 S CB 1.588 64.787 63.200 -0.002 0.000 1.216 56 S HN 2.501 nan 8.310 nan 0.000 0.532 57 G N 0.271 109.081 108.800 0.016 0.000 2.302 57 G HA2 0.175 4.135 3.960 0.000 0.000 0.264 57 G HA3 0.175 4.135 3.960 0.000 0.000 0.264 57 G C -1.942 173.001 174.900 0.071 0.000 1.335 57 G CA -0.776 44.321 45.100 -0.005 0.000 0.982 57 G HN 0.633 nan 8.290 nan 0.000 0.473 58 F N 1.074 121.204 119.950 0.299 0.000 2.458 58 F HA 0.762 5.290 4.527 0.000 0.000 0.336 58 F C 0.830 176.713 175.800 0.139 0.000 1.114 58 F CA -0.713 57.425 58.000 0.232 0.000 0.987 58 F CB 1.905 40.939 39.000 0.056 0.000 1.130 58 F HN 0.596 nan 8.300 nan 0.000 0.458 59 I N 0.154 120.894 120.570 0.285 0.000 2.828 59 I HA 1.051 5.221 4.170 0.000 0.000 0.302 59 I C -0.596 175.566 176.117 0.076 0.000 1.101 59 I CA -0.842 60.483 61.300 0.042 0.000 1.031 59 I CB 2.388 40.266 38.000 -0.204 0.000 1.231 59 I HN 0.629 nan 8.210 nan 0.000 0.427 60 G N 1.889 110.702 108.800 0.021 0.000 2.733 60 G HA2 0.679 4.639 3.960 0.000 0.000 0.297 60 G HA3 0.679 4.639 3.960 0.000 0.000 0.297 60 G C -0.355 174.544 174.900 -0.002 0.000 1.422 60 G CA -0.328 44.783 45.100 0.019 0.000 0.942 60 G HN 1.494 nan 8.290 nan 0.000 0.510 61 G N 0.999 109.800 108.800 0.001 0.000 2.698 61 G HA2 -0.142 3.819 3.960 0.000 0.000 0.233 61 G HA3 -0.142 3.819 3.960 0.000 0.000 0.233 61 G C 0.659 175.559 174.900 0.001 0.000 1.352 61 G CA 0.619 45.717 45.100 -0.003 0.000 0.879 61 G HN 0.876 nan 8.290 nan 0.000 0.567 62 E N -0.250 119.951 120.200 0.001 0.000 2.150 62 E HA 0.064 4.414 4.350 0.000 0.000 0.193 62 E C 2.737 179.354 176.600 0.028 0.000 0.985 62 E CA 1.280 57.688 56.400 0.014 0.000 0.814 62 E CB -0.118 29.586 29.700 0.007 0.000 0.752 62 E HN 0.475 nan 8.360 nan 0.000 0.466 63 L N -0.234 120.990 121.223 0.001 0.000 2.093 63 L HA -0.059 4.281 4.340 0.000 0.000 0.208 63 L C 2.379 179.268 176.870 0.033 0.000 1.085 63 L CA 1.200 56.042 54.840 0.003 0.000 0.755 63 L CB -0.830 41.198 42.059 -0.051 0.000 0.904 63 L HN 0.282 nan 8.230 nan 0.000 0.435 64 G N -0.542 108.251 108.800 -0.012 0.000 2.440 64 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 64 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 64 G C 1.483 176.347 174.900 -0.059 0.000 1.154 64 G CA 0.396 45.457 45.100 -0.065 0.000 0.767 64 G HN 0.390 nan 8.290 nan 0.000 0.552 65 Q N -0.896 118.904 119.800 -0.001 0.000 2.135 65 Q HA -0.113 4.227 4.340 0.000 0.000 0.204 65 Q C 2.183 178.198 176.000 0.026 0.000 0.981 65 Q CA 1.315 57.126 55.803 0.013 0.000 0.856 65 Q CB -0.282 28.477 28.738 0.035 0.000 0.902 65 Q HN 0.566 nan 8.270 nan 0.000 0.425 66 F N 0.944 120.848 119.950 -0.076 0.000 2.102 66 F HA -0.189 4.338 4.527 0.000 0.000 0.298 66 F C 1.852 177.592 175.800 -0.100 0.000 1.105 66 F CA 1.189 59.145 58.000 -0.074 0.000 1.239 66 F CB -0.066 38.893 39.000 -0.069 0.000 0.991 66 F HN -0.039 nan 8.300 nan 0.000 0.474 67 I N 0.350 120.924 120.570 0.006 0.000 2.163 67 I HA -0.366 3.804 4.170 0.000 0.000 0.243 67 I C 2.715 178.658 176.117 -0.289 0.000 1.085 67 I CA 1.346 62.554 61.300 -0.154 0.000 1.347 67 I CB -0.962 36.910 38.000 -0.214 0.000 1.044 67 I HN 0.268 nan 8.210 nan 0.000 0.408 68 A N 0.663 123.297 122.820 -0.309 0.000 1.908 68 A HA -0.272 4.048 4.320 0.000 0.000 0.218 68 A C 2.428 179.895 177.584 -0.196 0.000 1.181 68 A CA 1.980 53.784 52.037 -0.389 0.000 0.627 68 A CB -0.587 18.302 19.000 -0.185 0.000 0.818 68 A HN 0.378 nan 8.150 nan 0.000 0.445 69 K N -0.540 119.756 120.400 -0.174 0.000 2.026 69 K HA -0.214 4.106 4.320 0.000 0.000 0.208 69 K C 1.806 178.296 176.600 -0.184 0.000 1.048 69 K CA 1.590 57.785 56.287 -0.154 0.000 0.929 69 K CB -0.182 32.195 32.500 -0.205 0.000 0.713 69 K HN 0.173 nan 8.250 nan 0.000 0.439 70 K N 1.156 121.351 120.400 -0.341 0.000 2.063 70 K HA -0.102 4.218 4.320 0.000 0.000 0.208 70 K C 2.243 178.805 176.600 -0.065 0.000 1.048 70 K CA 1.159 57.288 56.287 -0.264 0.000 0.928 70 K CB -0.514 31.781 32.500 -0.341 0.000 0.713 70 K HN 0.277 nan 8.250 nan 0.000 0.442 71 L N 0.886 122.079 121.223 -0.051 0.000 2.056 71 L HA -0.191 4.149 4.340 0.000 0.000 0.207 71 L C 1.897 178.843 176.870 0.126 0.000 1.078 71 L CA 1.143 56.019 54.840 0.060 0.000 0.749 71 L CB -0.550 41.559 42.059 0.084 0.000 0.901 71 L HN 0.092 nan 8.230 nan 0.000 0.433 72 D N -0.867 119.614 120.400 0.135 0.000 2.133 72 D HA -0.243 4.397 4.640 0.000 0.000 0.195 72 D C 2.085 178.438 176.300 0.088 0.000 0.997 72 D CA 1.266 55.349 54.000 0.139 0.000 0.840 72 D CB -0.285 40.595 40.800 0.133 0.000 0.947 72 D HN 0.336 nan 8.370 nan 0.000 0.452 73 H N -0.056 119.007 119.070 -0.011 0.000 2.524 73 H HA 0.168 4.724 4.556 0.000 0.000 0.282 73 H C 1.130 176.453 175.328 -0.008 0.000 1.016 73 H CA 1.172 57.207 56.048 -0.021 0.000 1.270 73 H CB 0.358 30.087 29.762 -0.054 0.000 1.394 73 H HN 0.056 nan 8.280 nan 0.000 0.568 74 A N 0.203 123.072 122.820 0.081 0.000 2.345 74 A HA 0.100 4.420 4.320 0.000 0.000 0.225 74 A C 0.171 177.767 177.584 0.020 0.000 1.243 74 A CA 0.388 52.456 52.037 0.052 0.000 0.875 74 A CB 0.013 19.063 19.000 0.083 0.000 0.929 74 A HN 0.467 nan 8.150 nan 0.000 0.502 75 D N -0.724 119.682 120.400 0.009 0.000 2.751 75 D HA -0.154 4.486 4.640 0.000 0.000 0.233 75 D C -0.380 175.941 176.300 0.036 0.000 1.149 75 D CA 0.841 54.848 54.000 0.011 0.000 0.682 75 D CB -1.223 39.566 40.800 -0.018 0.000 1.068 75 D HN 0.584 nan 8.370 nan 0.000 0.429 76 I N 0.645 121.262 120.570 0.078 0.000 2.315 76 I HA 0.144 4.314 4.170 0.000 0.000 0.291 76 I C 0.874 177.074 176.117 0.139 0.000 1.006 76 I CA -0.719 60.639 61.300 0.096 0.000 1.265 76 I CB 1.052 39.121 38.000 0.114 0.000 1.387 76 I HN -0.141 nan 8.210 nan 0.000 0.475 77 K N 5.750 126.189 120.400 0.065 0.000 2.326 77 K HA 0.299 4.619 4.320 0.000 0.000 0.275 77 K C -0.658 175.984 176.600 0.070 0.000 1.018 77 K CA -0.223 56.066 56.287 0.004 0.000 0.962 77 K CB 0.574 33.049 32.500 -0.041 0.000 0.953 77 K HN 0.635 nan 8.250 nan 0.000 0.475 78 H N -1.746 117.351 119.070 0.045 0.000 2.961 78 H HA 0.662 5.218 4.556 0.000 0.000 0.371 78 H C -1.424 173.927 175.328 0.038 0.000 1.190 78 H CA -1.276 54.789 56.048 0.029 0.000 1.138 78 H CB 1.894 31.797 29.762 0.234 0.000 1.816 78 H HN 0.505 nan 8.280 nan 0.000 0.551 79 A N 2.378 125.236 122.820 0.064 0.000 3.422 79 A HA 0.371 4.691 4.320 0.000 0.000 0.271 79 A C -1.431 176.288 177.584 0.226 0.000 1.104 79 A CA -0.573 51.561 52.037 0.162 0.000 0.899 79 A CB -0.690 18.402 19.000 0.153 0.000 1.309 79 A HN 0.446 nan 8.150 nan 0.000 0.580 80 F N -0.188 119.945 119.950 0.306 0.000 2.406 80 F HA 0.347 4.875 4.527 0.000 0.000 0.327 80 F C 0.513 176.441 175.800 0.213 0.000 1.153 80 F CA 0.334 58.498 58.000 0.274 0.000 1.218 80 F CB 0.548 39.667 39.000 0.198 0.000 1.215 80 F HN 0.499 nan 8.300 nan 0.000 0.570 81 Y N 3.095 123.606 120.300 0.350 0.000 2.327 81 Y HA 0.259 4.810 4.550 0.000 0.000 0.336 81 Y C -0.020 176.065 175.900 0.309 0.000 1.035 81 Y CA -0.942 57.307 58.100 0.248 0.000 1.165 81 Y CB 0.202 38.891 38.460 0.382 0.000 1.181 81 Y HN 0.443 nan 8.280 nan 0.000 0.494 82 N N 7.583 126.222 118.700 -0.101 0.000 2.488 82 N HA 0.241 4.981 4.740 0.000 0.000 0.274 82 N C -0.436 175.132 175.510 0.098 0.000 1.111 82 N CA 0.007 53.065 53.050 0.013 0.000 0.974 82 N CB 1.321 39.761 38.487 -0.080 0.000 1.089 82 N HN 0.733 nan 8.380 nan 0.000 0.465 83 I N -1.878 118.794 120.570 0.170 0.000 2.982 83 I HA 0.401 4.571 4.170 0.000 0.000 0.312 83 I C 0.944 177.095 176.117 0.057 0.000 1.041 83 I CA -0.955 60.433 61.300 0.147 0.000 1.053 83 I CB 1.804 39.861 38.000 0.095 0.000 1.248 83 I HN 0.170 nan 8.210 nan 0.000 0.471 84 K N 1.686 122.106 120.400 0.033 0.000 2.167 84 K HA 0.139 4.459 4.320 0.000 0.000 0.203 84 K C 1.094 177.689 176.600 -0.007 0.000 1.052 84 K CA 0.705 56.998 56.287 0.010 0.000 0.956 84 K CB -0.123 32.379 32.500 0.004 0.000 0.735 84 K HN 0.889 nan 8.250 nan 0.000 0.451 85 G N 1.210 109.996 108.800 -0.023 0.000 2.653 85 G HA2 0.032 3.992 3.960 0.000 0.000 0.265 85 G HA3 0.032 3.992 3.960 0.000 0.000 0.265 85 G C -0.655 174.231 174.900 -0.023 0.000 1.237 85 G CA -0.397 44.682 45.100 -0.035 0.000 0.946 85 G HN 0.104 nan 8.290 nan 0.000 0.522 86 E N -0.334 119.849 120.200 -0.029 0.000 2.171 86 E HA 0.267 4.617 4.350 0.000 0.000 0.271 86 E C -0.364 176.220 176.600 -0.027 0.000 0.916 86 E CA -0.426 55.960 56.400 -0.024 0.000 0.774 86 E CB 1.552 31.237 29.700 -0.026 0.000 1.128 86 E HN 0.304 nan 8.360 nan 0.000 0.403 87 T N 3.064 117.603 114.554 -0.024 0.000 2.933 87 T HA -0.024 4.326 4.350 0.000 0.000 0.306 87 T C 0.579 175.258 174.700 -0.035 0.000 1.045 87 T CA 0.277 62.361 62.100 -0.027 0.000 1.143 87 T CB 0.107 68.953 68.868 -0.036 0.000 1.003 87 T HN 0.409 nan 8.240 nan 0.000 0.540 88 R N 2.828 123.309 120.500 -0.032 0.000 2.577 88 R HA 0.358 4.698 4.340 0.000 0.000 0.269 88 R C -0.362 175.909 176.300 -0.048 0.000 1.084 88 R CA -0.679 55.399 56.100 -0.036 0.000 1.163 88 R CB 0.459 30.744 30.300 -0.026 0.000 1.100 88 R HN 0.517 nan 8.270 nan 0.000 0.547 89 N N -0.612 118.055 118.700 -0.055 0.000 2.489 89 N HA 0.363 5.103 4.740 0.000 0.000 0.284 89 N C -1.221 174.261 175.510 -0.048 0.000 1.158 89 N CA -0.448 52.560 53.050 -0.070 0.000 0.965 89 N CB 1.559 39.999 38.487 -0.079 0.000 1.195 89 N HN 0.447 nan 8.380 nan 0.000 0.506 90 C N 1.153 120.421 119.300 -0.054 0.000 2.712 90 C HA 0.580 5.040 4.460 0.000 0.000 0.308 90 C C -0.969 173.987 174.990 -0.056 0.000 1.201 90 C CA -0.775 58.221 59.018 -0.037 0.000 1.554 90 C CB 0.799 28.527 27.740 -0.021 0.000 2.117 90 C HN 0.528 nan 8.230 nan 0.000 0.480 91 I N 2.359 122.910 120.570 -0.031 0.000 2.433 91 I HA 0.621 4.791 4.170 0.000 0.000 0.292 91 I C 0.157 176.272 176.117 -0.003 0.000 1.001 91 I CA -0.403 60.877 61.300 -0.033 0.000 1.119 91 I CB 1.148 39.174 38.000 0.044 0.000 1.289 91 I HN 0.796 nan 8.210 nan 0.000 0.438 92 A N 7.705 130.512 122.820 -0.022 0.000 2.310 92 A HA 0.784 5.104 4.320 0.000 0.000 0.304 92 A C -0.585 177.048 177.584 0.081 0.000 1.231 92 A CA -0.439 51.614 52.037 0.027 0.000 0.799 92 A CB 0.575 19.577 19.000 0.004 0.000 1.162 92 A HN 0.614 nan 8.150 nan 0.000 0.486 93 I N 3.377 124.037 120.570 0.149 0.000 2.312 93 I HA 0.275 4.445 4.170 0.000 0.000 0.290 93 I C -0.612 175.666 176.117 0.269 0.000 1.008 93 I CA -0.173 61.256 61.300 0.215 0.000 1.226 93 I CB 1.268 39.360 38.000 0.154 0.000 1.371 93 I HN 0.479 nan 8.210 nan 0.000 0.468 94 L N 7.822 129.176 121.223 0.218 0.000 2.262 94 L HA 0.474 4.814 4.340 0.000 0.000 0.288 94 L C -0.689 176.301 176.870 0.201 0.000 1.035 94 L CA -0.582 54.354 54.840 0.160 0.000 0.820 94 L CB 0.193 42.304 42.059 0.086 0.000 1.204 94 L HN 0.716 nan 8.230 nan 0.000 0.424 95 H N -0.182 118.906 119.070 0.029 0.000 2.966 95 H HA 0.385 4.941 4.556 0.000 0.000 0.347 95 H C -0.644 174.694 175.328 0.016 0.000 1.048 95 H CA -1.017 55.044 56.048 0.022 0.000 1.295 95 H CB 1.146 30.919 29.762 0.019 0.000 1.744 95 H HN 0.558 nan 8.280 nan 0.000 0.513 96 E N 2.495 122.695 120.200 0.001 0.000 2.440 96 E HA -0.260 4.090 4.350 0.000 0.000 0.246 96 E C 1.202 177.744 176.600 -0.096 0.000 1.165 96 E CA 1.070 57.447 56.400 -0.039 0.000 0.726 96 E CB -1.482 28.214 29.700 -0.006 0.000 1.271 96 E HN 1.316 nan 8.360 nan 0.000 0.397 97 G N -0.636 108.112 108.800 -0.087 0.000 2.189 97 G HA2 -0.400 3.560 3.960 0.000 0.000 0.267 97 G HA3 -0.400 3.560 3.960 0.000 0.000 0.267 97 G C 0.197 175.022 174.900 -0.124 0.000 0.975 97 G CA 0.867 45.919 45.100 -0.080 0.000 0.644 97 G HN 0.396 nan 8.290 nan 0.000 0.537 98 Q N -0.683 118.966 119.800 -0.252 0.000 2.193 98 Q HA 0.633 4.973 4.340 0.000 0.000 0.246 98 Q C -0.041 175.827 176.000 -0.220 0.000 0.959 98 Q CA -0.472 55.151 55.803 -0.300 0.000 0.904 98 Q CB 1.237 29.647 28.738 -0.546 0.000 1.238 98 Q HN 0.344 nan 8.270 nan 0.000 0.469 99 Q N 0.953 120.698 119.800 -0.091 0.000 2.347 99 Q HA 0.285 4.625 4.340 0.000 0.000 0.265 99 Q C -1.555 174.488 176.000 0.072 0.000 1.024 99 Q CA -0.219 55.591 55.803 0.012 0.000 0.731 99 Q CB 1.417 30.163 28.738 0.013 0.000 1.245 99 Q HN 0.526 nan 8.270 nan 0.000 0.472 100 T N 3.692 118.347 114.554 0.169 0.000 2.743 100 T HA 0.359 4.709 4.350 0.000 0.000 0.292 100 T C -0.755 174.010 174.700 0.109 0.000 0.972 100 T CA -0.454 61.746 62.100 0.168 0.000 0.967 100 T CB 0.937 69.963 68.868 0.262 0.000 0.926 100 T HN 0.513 nan 8.240 nan 0.000 0.459 101 E N 2.524 122.767 120.200 0.072 0.000 2.207 101 E HA 0.576 4.926 4.350 0.000 0.000 0.270 101 E C -0.666 175.958 176.600 0.039 0.000 0.927 101 E CA -0.771 55.659 56.400 0.050 0.000 0.799 101 E CB 2.142 31.864 29.700 0.037 0.000 1.172 101 E HN 0.502 nan 8.360 nan 0.000 0.404 102 I N 3.491 124.080 120.570 0.032 0.000 2.439 102 I HA 0.284 4.454 4.170 0.000 0.000 0.285 102 I C -0.920 175.204 176.117 0.012 0.000 1.021 102 I CA -0.537 60.776 61.300 0.022 0.000 1.091 102 I CB 0.944 38.959 38.000 0.025 0.000 1.242 102 I HN 0.268 nan 8.210 nan 0.000 0.439 103 L N 6.358 127.587 121.223 0.009 0.000 2.325 103 L HA 0.503 4.843 4.340 0.000 0.000 0.281 103 L C -0.157 176.713 176.870 -0.000 0.000 1.004 103 L CA -0.671 54.172 54.840 0.005 0.000 0.823 103 L CB 1.576 43.641 42.059 0.010 0.000 1.236 103 L HN 0.560 nan 8.230 nan 0.000 0.415 104 E N 1.656 121.853 120.200 -0.006 0.000 2.313 104 E HA 0.067 4.417 4.350 0.000 0.000 0.272 104 E C 0.301 176.894 176.600 -0.012 0.000 1.038 104 E CA -0.328 56.066 56.400 -0.011 0.000 0.863 104 E CB 1.917 31.607 29.700 -0.018 0.000 1.060 104 E HN 0.524 nan 8.360 nan 0.000 0.402 105 Q N 2.115 121.906 119.800 -0.015 0.000 2.096 105 Q HA -0.127 4.213 4.340 0.000 0.000 0.204 105 Q C 0.620 176.605 176.000 -0.026 0.000 0.982 105 Q CA 1.531 57.322 55.803 -0.020 0.000 0.850 105 Q CB -0.019 28.704 28.738 -0.024 0.000 0.901 105 Q HN 0.796 nan 8.270 nan 0.000 0.422 106 G N 0.162 108.944 108.800 -0.030 0.000 2.660 106 G HA2 -0.181 3.779 3.960 0.000 0.000 0.247 106 G HA3 -0.181 3.779 3.960 0.000 0.000 0.247 106 G C -2.612 172.257 174.900 -0.052 0.000 1.328 106 G CA -0.399 44.679 45.100 -0.037 0.000 0.884 106 G HN 0.348 nan 8.290 nan 0.000 0.531 107 P HA 0.387 nan 4.420 nan 0.000 0.276 107 P C -0.529 176.701 177.300 -0.117 0.000 1.261 107 P CA -0.203 62.848 63.100 -0.082 0.000 0.800 107 P CB 1.101 32.752 31.700 -0.082 0.000 1.066 108 E N 0.486 120.613 120.200 -0.122 0.000 2.216 108 E HA 0.336 4.686 4.350 0.000 0.000 0.279 108 E C -0.548 175.929 176.600 -0.206 0.000 0.997 108 E CA -0.735 55.575 56.400 -0.150 0.000 0.817 108 E CB 0.607 30.242 29.700 -0.110 0.000 1.096 108 E HN 0.249 nan 8.360 nan 0.000 0.393 109 I N 4.319 124.714 120.570 -0.291 0.000 2.331 109 I HA 0.122 4.292 4.170 0.000 0.000 0.292 109 I C 0.278 176.238 176.117 -0.261 0.000 0.998 109 I CA -0.740 60.327 61.300 -0.388 0.000 1.267 109 I CB 0.607 38.178 38.000 -0.715 0.000 1.386 109 I HN 0.584 nan 8.210 nan 0.000 0.476 110 D N 5.107 125.399 120.400 -0.180 0.000 2.411 110 D HA 0.099 4.739 4.640 0.000 0.000 0.251 110 D C 0.656 176.902 176.300 -0.090 0.000 1.201 110 D CA -0.411 53.524 54.000 -0.108 0.000 0.996 110 D CB 0.585 41.351 40.800 -0.057 0.000 1.101 110 D HN 0.272 nan 8.370 nan 0.000 0.504 111 N N -0.301 118.372 118.700 -0.046 0.000 2.166 111 N HA -0.160 4.580 4.740 0.000 0.000 0.186 111 N C 1.562 177.085 175.510 0.021 0.000 1.019 111 N CA 1.031 54.072 53.050 -0.014 0.000 0.856 111 N CB -0.142 38.345 38.487 0.000 0.000 0.993 111 N HN 0.550 nan 8.380 nan 0.000 0.426 112 Q N 0.737 120.557 119.800 0.034 0.000 2.079 112 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 112 Q C 1.663 177.729 176.000 0.109 0.000 0.974 112 Q CA 1.063 56.911 55.803 0.075 0.000 0.840 112 Q CB -0.039 28.749 28.738 0.083 0.000 0.898 112 Q HN 0.485 nan 8.270 nan 0.000 0.430 113 E N 0.561 120.814 120.200 0.088 0.000 2.072 113 E HA -0.158 4.192 4.350 0.000 0.000 0.191 113 E C 1.955 178.562 176.600 0.012 0.000 0.985 113 E CA 0.910 57.378 56.400 0.114 0.000 0.801 113 E CB -0.108 29.632 29.700 0.066 0.000 0.750 113 E HN 0.331 nan 8.360 nan 0.000 0.452 114 A N 1.392 124.212 122.820 0.000 0.000 1.908 114 A HA -0.162 4.158 4.320 0.000 0.000 0.218 114 A C 2.366 180.116 177.584 0.277 0.000 1.181 114 A CA 1.852 53.961 52.037 0.120 0.000 0.627 114 A CB -0.689 18.297 19.000 -0.024 0.000 0.818 114 A HN 0.303 nan 8.150 nan 0.000 0.445 115 A N -0.681 122.230 122.820 0.153 0.000 1.929 115 A HA 0.211 4.531 4.320 0.000 0.000 0.216 115 A C 2.403 180.048 177.584 0.102 0.000 1.176 115 A CA 1.714 53.831 52.037 0.134 0.000 0.628 115 A CB -1.314 17.746 19.000 0.100 0.000 0.816 115 A HN 0.716 nan 8.150 nan 0.000 0.444 116 G N -1.090 107.746 108.800 0.059 0.000 2.418 116 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 116 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 116 G C 1.461 176.262 174.900 -0.165 0.000 1.158 116 G CA 1.189 46.313 45.100 0.039 0.000 0.771 116 G HN 0.506 nan 8.290 nan 0.000 0.545 117 F N 1.232 120.864 119.950 -0.530 0.000 2.186 117 F HA 0.010 4.537 4.527 0.000 0.000 0.299 117 F C 2.377 178.212 175.800 0.059 0.000 1.090 117 F CA 0.769 58.601 58.000 -0.279 0.000 1.307 117 F CB 0.033 38.912 39.000 -0.202 0.000 1.019 117 F HN -0.002 nan 8.300 nan 0.000 0.489 118 I N 0.639 121.243 120.570 0.057 0.000 2.226 118 I HA -0.257 3.913 4.170 0.000 0.000 0.245 118 I C 2.238 178.331 176.117 -0.041 0.000 1.100 118 I CA 1.314 62.591 61.300 -0.038 0.000 1.374 118 I CB -1.127 36.884 38.000 0.019 0.000 1.057 118 I HN 0.168 nan 8.210 nan 0.000 0.413 119 K N -0.283 120.124 120.400 0.011 0.000 2.097 119 K HA -0.213 4.107 4.320 0.000 0.000 0.205 119 K C 2.109 178.727 176.600 0.031 0.000 1.050 119 K CA 1.215 57.523 56.287 0.034 0.000 0.938 119 K CB -0.676 31.872 32.500 0.080 0.000 0.718 119 K HN 0.368 nan 8.250 nan 0.000 0.442 120 H N 0.273 119.298 119.070 -0.075 0.000 2.321 120 H HA -0.111 4.445 4.556 0.000 0.000 0.300 120 H C 1.903 177.103 175.328 -0.213 0.000 1.087 120 H CA 1.720 57.714 56.048 -0.091 0.000 1.319 120 H CB -0.427 29.340 29.762 0.009 0.000 1.379 120 H HN 0.120 nan 8.280 nan 0.000 0.501 121 F N 1.535 121.101 119.950 -0.640 0.000 2.075 121 F HA -0.148 4.379 4.527 0.000 0.000 0.297 121 F C 2.320 177.901 175.800 -0.366 0.000 1.113 121 F CA 1.988 59.606 58.000 -0.637 0.000 1.218 121 F CB -0.303 38.266 39.000 -0.720 0.000 0.984 121 F HN 0.284 nan 8.300 nan 0.000 0.472 122 E N -0.041 120.081 120.200 -0.131 0.000 2.086 122 E HA -0.268 4.082 4.350 0.000 0.000 0.200 122 E C 1.162 177.635 176.600 -0.211 0.000 1.012 122 E CA 1.355 57.672 56.400 -0.139 0.000 0.812 122 E CB -0.371 29.298 29.700 -0.053 0.000 0.743 122 E HN 0.583 nan 8.360 nan 0.000 0.453 127 K N 1.373 121.694 120.400 -0.131 0.000 2.358 127 K HA 0.284 4.604 4.320 0.000 0.000 0.200 127 K C 0.244 176.774 176.600 -0.117 0.000 1.030 127 K CA 0.530 56.750 56.287 -0.111 0.000 1.097 127 K CB 2.041 34.468 32.500 -0.121 0.000 0.862 127 K HN 0.158 nan 8.250 nan 0.000 0.534 128 V N -2.535 117.297 119.914 -0.136 0.000 3.078 128 V HA 0.410 4.530 4.120 0.000 0.000 0.311 128 V C -0.316 175.714 176.094 -0.107 0.000 1.138 128 V CA -0.832 61.386 62.300 -0.136 0.000 1.007 128 V CB 2.243 33.960 31.823 -0.177 0.000 1.045 128 V HN 0.048 nan 8.190 nan 0.000 0.432 129 E N 1.151 121.287 120.200 -0.106 0.000 2.601 129 E HA 0.682 5.032 4.350 0.000 0.000 0.219 129 E C 0.143 176.695 176.600 -0.080 0.000 0.964 129 E CA 0.573 56.929 56.400 -0.073 0.000 1.050 129 E CB 1.541 31.209 29.700 -0.054 0.000 1.068 129 E HN 1.134 nan 8.360 nan 0.000 0.496 130 A N 0.611 123.373 122.820 -0.097 0.000 2.566 130 A HA 0.560 4.880 4.320 0.000 0.000 0.297 130 A C -1.388 176.161 177.584 -0.057 0.000 1.059 130 A CA -0.530 51.462 52.037 -0.075 0.000 0.691 130 A CB 1.576 20.514 19.000 -0.103 0.000 1.282 130 A HN -0.026 nan 8.150 nan 0.000 0.401 131 V N 1.238 121.144 119.914 -0.014 0.000 2.444 131 V HA 0.727 4.847 4.120 0.000 0.000 0.294 131 V C 0.361 176.463 176.094 0.012 0.000 1.022 131 V CA -0.163 62.154 62.300 0.030 0.000 0.850 131 V CB 1.521 33.427 31.823 0.139 0.000 0.992 131 V HN 1.509 nan 8.190 nan 0.000 0.426 132 A N 6.681 129.503 122.820 0.003 0.000 2.271 132 A HA 0.865 5.185 4.320 0.000 0.000 0.317 132 A C -0.606 176.971 177.584 -0.012 0.000 1.245 132 A CA -0.394 51.632 52.037 -0.017 0.000 0.857 132 A CB 0.335 19.320 19.000 -0.025 0.000 1.175 132 A HN 0.785 nan 8.150 nan 0.000 0.512 133 I N 2.469 123.003 120.570 -0.060 0.000 2.389 133 I HA 0.382 4.552 4.170 0.000 0.000 0.288 133 I C -0.271 175.769 176.117 -0.129 0.000 0.999 133 I CA -0.101 61.125 61.300 -0.123 0.000 1.129 133 I CB 1.952 39.771 38.000 -0.301 0.000 1.288 133 I HN 0.558 nan 8.210 nan 0.000 0.444 134 S N 3.642 119.315 115.700 -0.045 0.000 2.548 134 S HA 0.925 5.395 4.470 0.000 0.000 0.286 134 S C -0.011 174.638 174.600 0.082 0.000 1.098 134 S CA -0.569 57.633 58.200 0.003 0.000 0.930 134 S CB 2.163 65.378 63.200 0.025 0.000 1.070 134 S HN 1.149 nan 8.310 nan 0.000 0.480 135 G N 1.469 110.328 108.800 0.100 0.000 2.712 135 G HA2 -0.021 3.939 3.960 0.000 0.000 0.683 135 G HA3 -0.021 3.939 3.960 0.000 0.000 0.683 135 G C -0.478 174.563 174.900 0.235 0.000 1.320 135 G CA -0.688 44.499 45.100 0.145 0.000 0.847 135 G HN 0.822 nan 8.290 nan 0.000 0.553 136 S N -0.881 114.924 115.700 0.175 0.000 2.693 136 S HA 0.687 5.157 4.470 0.000 0.000 0.276 136 S C 0.851 175.498 174.600 0.079 0.000 1.192 136 S CA -0.627 57.665 58.200 0.154 0.000 0.994 136 S CB 0.999 64.249 63.200 0.083 0.000 1.012 136 S HN 0.649 nan 8.310 nan 0.000 0.550 137 L N 3.207 124.398 121.223 -0.053 0.000 2.426 137 L HA 0.295 4.635 4.340 0.000 0.000 0.271 137 L C -1.829 174.980 176.870 -0.102 0.000 1.169 137 L CA -1.635 53.103 54.840 -0.171 0.000 0.836 137 L CB 0.015 41.912 42.059 -0.270 0.000 1.112 137 L HN 0.403 nan 8.230 nan 0.000 0.465 138 P HA 0.026 nan 4.420 nan 0.000 0.272 138 P C -0.750 176.453 177.300 -0.161 0.000 1.230 138 P CA -0.545 62.484 63.100 -0.118 0.000 0.788 138 P CB 0.604 32.221 31.700 -0.139 0.000 0.949 139 K N 0.399 120.720 120.400 -0.132 0.000 2.527 139 K HA 0.149 4.469 4.320 0.000 0.000 0.278 139 K C 1.120 177.615 176.600 -0.175 0.000 0.981 139 K CA 1.103 57.313 56.287 -0.129 0.000 1.009 139 K CB -0.585 31.857 32.500 -0.097 0.000 0.895 139 K HN 0.798 nan 8.250 nan 0.000 0.493 140 G N 2.860 111.566 108.800 -0.157 0.000 2.279 140 G HA2 -0.232 3.728 3.960 0.000 0.000 0.223 140 G HA3 -0.232 3.728 3.960 0.000 0.000 0.223 140 G C 0.022 174.799 174.900 -0.206 0.000 1.015 140 G CA -0.042 44.955 45.100 -0.171 0.000 0.621 140 G HN 0.510 nan 8.290 nan 0.000 0.506 141 L N 1.705 122.768 121.223 -0.267 0.000 2.380 141 L HA 0.306 4.646 4.340 0.000 0.000 0.273 141 L C 0.937 177.702 176.870 -0.176 0.000 1.138 141 L CA -0.849 53.793 54.840 -0.330 0.000 0.832 141 L CB 0.757 42.508 42.059 -0.514 0.000 1.124 141 L HN 0.300 nan 8.230 nan 0.000 0.454 142 N N 2.576 121.217 118.700 -0.098 0.000 2.293 142 N HA -0.109 4.632 4.740 0.000 0.000 0.253 142 N C 0.767 176.279 175.510 0.004 0.000 1.248 142 N CA 0.560 53.604 53.050 -0.010 0.000 0.845 142 N CB 0.828 39.351 38.487 0.059 0.000 1.073 142 N HN 0.599 nan 8.380 nan 0.000 0.464 143 Q N 0.768 120.569 119.800 0.002 0.000 2.368 143 Q HA -0.173 4.168 4.340 0.000 0.000 0.210 143 Q C 0.293 176.319 176.000 0.043 0.000 0.982 143 Q CA 1.268 57.075 55.803 0.007 0.000 0.884 143 Q CB -0.009 28.734 28.738 0.010 0.000 0.933 143 Q HN 0.673 nan 8.270 nan 0.000 0.460 144 D N -1.275 119.169 120.400 0.073 0.000 2.328 144 D HA -0.121 4.519 4.640 0.000 0.000 0.221 144 D C 1.114 177.487 176.300 0.121 0.000 1.072 144 D CA -0.100 53.956 54.000 0.094 0.000 0.850 144 D CB -0.252 40.598 40.800 0.084 0.000 0.922 144 D HN 0.165 nan 8.370 nan 0.000 0.516 145 Y N 0.569 120.843 120.300 -0.043 0.000 2.181 145 Y HA -0.226 4.324 4.550 0.000 0.000 0.288 145 Y C 1.382 177.291 175.900 0.016 0.000 1.146 145 Y CA 1.531 59.599 58.100 -0.053 0.000 1.164 145 Y CB -0.272 38.105 38.460 -0.138 0.000 0.982 145 Y HN -0.089 nan 8.280 nan 0.000 0.515 146 Y N -0.821 119.522 120.300 0.072 0.000 2.242 146 Y HA -0.136 4.414 4.550 0.000 0.000 0.291 146 Y C 2.585 178.460 175.900 -0.043 0.000 1.137 146 Y CA 0.611 58.701 58.100 -0.017 0.000 1.181 146 Y CB -1.364 37.118 38.460 0.038 0.000 0.989 146 Y HN 0.177 nan 8.280 nan 0.000 0.527 147 A N -0.009 122.912 122.820 0.168 0.000 1.908 147 A HA -0.272 4.048 4.320 0.000 0.000 0.218 147 A C 2.176 179.787 177.584 0.045 0.000 1.181 147 A CA 1.918 54.033 52.037 0.131 0.000 0.627 147 A CB -0.746 18.342 19.000 0.146 0.000 0.818 147 A HN 0.541 nan 8.150 nan 0.000 0.445 148 Q N -0.653 119.122 119.800 -0.042 0.000 2.084 148 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 148 Q C 2.068 177.930 176.000 -0.230 0.000 0.978 148 Q CA 1.589 57.301 55.803 -0.152 0.000 0.844 148 Q CB -0.338 28.272 28.738 -0.212 0.000 0.898 148 Q HN 0.754 nan 8.270 nan 0.000 0.426 149 I N 0.412 120.808 120.570 -0.289 0.000 2.202 149 I HA -0.274 3.896 4.170 0.000 0.000 0.242 149 I C 2.126 178.136 176.117 -0.178 0.000 1.091 149 I CA 1.124 62.188 61.300 -0.394 0.000 1.368 149 I CB -0.183 37.526 38.000 -0.486 0.000 1.058 149 I HN 0.187 nan 8.210 nan 0.000 0.410 150 I N 0.411 120.939 120.570 -0.071 0.000 2.394 150 I HA -0.267 3.904 4.170 0.000 0.000 0.251 150 I C 2.548 178.658 176.117 -0.013 0.000 1.136 150 I CA 1.186 62.496 61.300 0.016 0.000 1.425 150 I CB -0.421 37.622 38.000 0.072 0.000 1.079 150 I HN 0.305 nan 8.210 nan 0.000 0.425 151 E N 1.238 121.340 120.200 -0.163 0.000 2.085 151 E HA -0.245 4.105 4.350 0.000 0.000 0.194 151 E C 2.309 178.743 176.600 -0.276 0.000 0.994 151 E CA 1.136 57.219 56.400 -0.527 0.000 0.801 151 E CB 0.158 29.364 29.700 -0.823 0.000 0.743 151 E HN 0.287 nan 8.360 nan 0.000 0.453 152 R N 0.265 120.693 120.500 -0.119 0.000 2.096 152 R HA -0.094 4.247 4.340 0.000 0.000 0.235 152 R C 2.454 178.789 176.300 0.059 0.000 1.127 152 R CA 1.119 57.222 56.100 0.005 0.000 0.968 152 R CB -1.387 29.001 30.300 0.148 0.000 0.861 152 R HN 0.368 nan 8.270 nan 0.000 0.440 153 C N 0.638 120.012 119.300 0.124 0.000 2.453 153 C HA -0.070 4.390 4.460 0.000 0.000 0.277 153 C C 2.747 177.764 174.990 0.044 0.000 1.262 153 C CA 0.578 59.653 59.018 0.096 0.000 1.718 153 C CB -0.747 27.075 27.740 0.136 0.000 2.031 153 C HN 0.434 nan 8.230 nan 0.000 0.480 154 Q N 1.753 121.579 119.800 0.043 0.000 2.061 154 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 154 Q C 1.860 177.881 176.000 0.036 0.000 0.984 154 Q CA 1.789 57.631 55.803 0.065 0.000 0.846 154 Q CB -0.526 28.298 28.738 0.143 0.000 0.902 154 Q HN 0.593 nan 8.270 nan 0.000 0.421 155 N N -0.190 118.503 118.700 -0.012 0.000 2.258 155 N HA -0.138 4.602 4.740 0.000 0.000 0.187 155 N C 0.725 176.232 175.510 -0.006 0.000 1.012 155 N CA 1.087 54.129 53.050 -0.014 0.000 0.870 155 N CB 0.039 38.497 38.487 -0.048 0.000 0.977 155 N HN 0.171 nan 8.380 nan 0.000 0.434 156 K N -0.773 119.622 120.400 -0.008 0.000 2.374 156 K HA 0.230 4.550 4.320 0.000 0.000 0.202 156 K C 0.573 177.171 176.600 -0.003 0.000 1.040 156 K CA 0.119 56.396 56.287 -0.017 0.000 1.085 156 K CB 0.596 33.068 32.500 -0.046 0.000 0.873 156 K HN 0.172 nan 8.250 nan 0.000 0.539 157 G N 1.711 110.521 108.800 0.016 0.000 2.198 157 G HA2 -0.224 3.736 3.960 0.000 0.000 0.257 157 G HA3 -0.224 3.736 3.960 0.000 0.000 0.257 157 G C -0.045 174.873 174.900 0.031 0.000 1.042 157 G CA 0.218 45.336 45.100 0.030 0.000 0.791 157 G HN 0.096 nan 8.290 nan 0.000 0.502 158 V N 2.410 122.338 119.914 0.022 0.000 2.333 158 V HA 0.419 4.539 4.120 0.000 0.000 0.274 158 V C -1.194 174.921 176.094 0.036 0.000 1.028 158 V CA -1.614 60.694 62.300 0.014 0.000 0.851 158 V CB 1.494 33.304 31.823 -0.022 0.000 1.000 158 V HN 0.272 nan 8.190 nan 0.000 0.456 159 P HA 0.150 nan 4.420 nan 0.000 0.268 159 P C -0.681 176.641 177.300 0.036 0.000 1.205 159 P CA 0.086 63.215 63.100 0.049 0.000 0.771 159 P CB 1.211 32.941 31.700 0.050 0.000 0.858 160 V N 4.720 124.661 119.914 0.045 0.000 2.417 160 V HA 0.259 4.379 4.120 0.000 0.000 0.291 160 V C 0.401 176.501 176.094 0.010 0.000 1.024 160 V CA -0.589 61.729 62.300 0.029 0.000 0.861 160 V CB 1.347 33.191 31.823 0.036 0.000 0.985 160 V HN 0.327 nan 8.190 nan 0.000 0.436 161 I N 6.095 126.655 120.570 -0.017 0.000 2.312 161 I HA 0.415 4.585 4.170 0.000 0.000 0.290 161 I C -0.430 175.658 176.117 -0.049 0.000 1.008 161 I CA -0.076 61.203 61.300 -0.035 0.000 1.226 161 I CB 1.316 39.279 38.000 -0.062 0.000 1.371 161 I HN 0.409 nan 8.210 nan 0.000 0.468 162 L N 6.817 128.014 121.223 -0.043 0.000 2.333 162 L HA 0.596 4.937 4.340 0.000 0.000 0.280 162 L C -0.993 175.849 176.870 -0.047 0.000 1.004 162 L CA -0.002 54.793 54.840 -0.075 0.000 0.820 162 L CB 1.387 43.405 42.059 -0.068 0.000 1.247 162 L HN 0.475 nan 8.230 nan 0.000 0.416 163 D N 4.405 124.769 120.400 -0.060 0.000 2.404 163 D HA 0.426 5.066 4.640 0.000 0.000 0.267 163 D C -1.408 174.890 176.300 -0.003 0.000 1.194 163 D CA 0.013 54.002 54.000 -0.018 0.000 0.910 163 D CB 0.546 41.339 40.800 -0.012 0.000 1.090 163 D HN 0.573 nan 8.370 nan 0.000 0.511 164 C N 1.005 120.317 119.300 0.020 0.000 3.213 164 C HA 0.921 5.381 4.460 0.000 0.000 0.319 164 C C -0.156 174.881 174.990 0.078 0.000 1.386 164 C CA -0.612 58.444 59.018 0.064 0.000 1.494 164 C CB 1.474 29.269 27.740 0.092 0.000 1.905 164 C HN 0.654 nan 8.230 nan 0.000 0.456 165 S N -0.453 115.301 115.700 0.090 0.000 2.697 165 S HA 0.932 5.402 4.470 0.000 0.000 0.289 165 S C 0.021 174.671 174.600 0.084 0.000 1.149 165 S CA 0.231 58.481 58.200 0.085 0.000 0.850 165 S CB 0.991 64.235 63.200 0.074 0.000 1.151 165 S HN 2.542 nan 8.310 nan 0.000 0.491 166 G N 1.124 109.969 108.800 0.075 0.000 2.552 166 G HA2 0.029 3.989 3.960 0.000 0.000 0.265 166 G HA3 0.029 3.989 3.960 0.000 0.000 0.265 166 G C 1.028 175.964 174.900 0.059 0.000 1.234 166 G CA 0.623 45.760 45.100 0.063 0.000 0.944 166 G HN 1.897 nan 8.290 nan 0.000 0.568 167 A N -1.753 121.096 122.820 0.050 0.000 2.019 167 A HA 0.128 4.448 4.320 0.000 0.000 0.219 167 A C 2.597 180.217 177.584 0.060 0.000 1.164 167 A CA 3.070 55.134 52.037 0.044 0.000 0.644 167 A CB -1.017 18.002 19.000 0.033 0.000 0.805 167 A HN 1.409 nan 8.150 nan 0.000 0.449 168 T N 0.138 114.741 114.554 0.080 0.000 2.684 168 T HA -0.175 4.175 4.350 0.000 0.000 0.267 168 T C 1.824 176.612 174.700 0.147 0.000 1.036 168 T CA 1.674 63.849 62.100 0.126 0.000 1.148 168 T CB -0.358 68.608 68.868 0.163 0.000 0.863 168 T HN 0.338 nan 8.240 nan 0.000 0.436 169 L N 1.137 122.430 121.223 0.117 0.000 2.044 169 L HA 0.033 4.373 4.340 0.000 0.000 0.205 169 L C 2.556 179.469 176.870 0.071 0.000 1.075 169 L CA 1.789 56.691 54.840 0.103 0.000 0.747 169 L CB -1.107 41.013 42.059 0.101 0.000 0.903 169 L HN 0.120 nan 8.230 nan 0.000 0.435 170 Q N -0.665 119.164 119.800 0.047 0.000 2.096 170 Q HA -0.228 4.112 4.340 0.000 0.000 0.208 170 Q C 2.013 178.022 176.000 0.016 0.000 0.993 170 Q CA 2.951 58.760 55.803 0.009 0.000 0.862 170 Q CB -0.718 28.025 28.738 0.008 0.000 0.915 170 Q HN 0.559 nan 8.270 nan 0.000 0.416 171 T N -0.462 114.119 114.554 0.045 0.000 2.788 171 T HA -0.089 4.261 4.350 0.000 0.000 0.268 171 T C 1.764 176.503 174.700 0.065 0.000 1.044 171 T CA 1.262 63.393 62.100 0.052 0.000 1.139 171 T CB -0.290 68.617 68.868 0.065 0.000 0.867 171 T HN 0.121 nan 8.240 nan 0.000 0.454 172 V N 1.624 121.592 119.914 0.089 0.000 2.307 172 V HA -0.097 4.023 4.120 0.000 0.000 0.245 172 V C 2.449 178.576 176.094 0.055 0.000 1.045 172 V CA 1.456 63.812 62.300 0.094 0.000 1.024 172 V CB -0.661 31.228 31.823 0.110 0.000 0.651 172 V HN 0.454 nan 8.190 nan 0.000 0.449 173 L N -0.319 120.920 121.223 0.028 0.000 2.191 173 L HA -0.169 4.171 4.340 0.000 0.000 0.212 173 L C 2.396 179.244 176.870 -0.036 0.000 1.103 173 L CA 1.461 56.292 54.840 -0.015 0.000 0.769 173 L CB -0.636 41.370 42.059 -0.089 0.000 0.908 173 L HN 0.402 nan 8.230 nan 0.000 0.438 174 E N 0.224 120.408 120.200 -0.026 0.000 2.358 174 E HA -0.098 4.252 4.350 0.000 0.000 0.195 174 E C 0.641 177.229 176.600 -0.020 0.000 1.010 174 E CA 0.094 56.478 56.400 -0.028 0.000 0.856 174 E CB -0.066 29.624 29.700 -0.018 0.000 0.795 174 E HN 0.596 nan 8.360 nan 0.000 0.504 175 N N 0.620 119.319 118.700 -0.002 0.000 2.495 175 N HA 0.052 4.792 4.740 0.000 0.000 0.280 175 N C -1.749 173.717 175.510 -0.074 0.000 1.168 175 N CA -1.317 51.729 53.050 -0.008 0.000 0.978 175 N CB 1.169 39.692 38.487 0.061 0.000 1.191 175 N HN -0.332 nan 8.380 nan 0.000 0.497 176 P HA -0.067 nan 4.420 nan 0.000 0.222 176 P C -0.623 176.408 177.300 -0.448 0.000 1.153 176 P CA 0.988 63.865 63.100 -0.372 0.000 0.798 176 P CB -0.055 31.306 31.700 -0.565 0.000 0.796 177 Y N 1.458 121.772 120.300 0.024 0.000 2.504 177 Y HA 0.208 4.758 4.550 0.000 0.000 0.351 177 Y C 1.098 177.017 175.900 0.032 0.000 0.988 177 Y CA -0.612 57.504 58.100 0.027 0.000 1.239 177 Y CB 0.312 38.786 38.460 0.024 0.000 1.128 177 Y HN -0.278 nan 8.280 nan 0.000 0.525 178 K N 5.463 125.943 120.400 0.133 0.000 2.130 178 K HA 0.389 4.709 4.320 0.000 0.000 0.268 178 K C -2.590 174.071 176.600 0.102 0.000 0.983 178 K CA -2.140 54.204 56.287 0.095 0.000 0.893 178 K CB 1.032 33.571 32.500 0.066 0.000 1.066 178 K HN 0.340 nan 8.250 nan 0.000 0.450 179 P HA 0.115 nan 4.420 nan 0.000 0.274 179 P C 0.194 177.548 177.300 0.091 0.000 1.237 179 P CA -0.153 62.991 63.100 0.075 0.000 0.793 179 P CB 0.619 32.353 31.700 0.056 0.000 0.977 180 T N -0.409 114.200 114.554 0.092 0.000 2.978 180 T HA 0.083 4.433 4.350 0.000 0.000 0.262 180 T C 0.770 175.572 174.700 0.169 0.000 1.063 180 T CA 0.841 63.017 62.100 0.128 0.000 1.140 180 T CB 0.017 68.958 68.868 0.122 0.000 0.886 180 T HN 0.237 nan 8.240 nan 0.000 0.470 181 V N 2.542 122.524 119.914 0.114 0.000 2.709 181 V HA 0.577 4.697 4.120 0.000 0.000 0.308 181 V C -0.644 175.490 176.094 0.067 0.000 1.062 181 V CA -1.413 60.952 62.300 0.109 0.000 0.901 181 V CB 2.034 33.855 31.823 -0.002 0.000 1.003 181 V HN 0.384 nan 8.190 nan 0.000 0.425 182 I N 0.571 121.190 120.570 0.081 0.000 2.569 182 I HA 0.688 4.858 4.170 0.000 0.000 0.296 182 I C -0.480 175.657 176.117 0.034 0.000 1.028 182 I CA -0.606 60.729 61.300 0.058 0.000 1.082 182 I CB 2.066 40.126 38.000 0.101 0.000 1.264 182 I HN 0.584 nan 8.210 nan 0.000 0.429 183 K N 6.694 127.105 120.400 0.018 0.000 2.762 183 K HA 0.464 4.784 4.320 0.000 0.000 0.180 183 K C -2.720 173.893 176.600 0.021 0.000 1.067 183 K CA -1.595 54.696 56.287 0.006 0.000 0.973 183 K CB 1.006 33.494 32.500 -0.020 0.000 1.290 183 K HN 0.496 nan 8.250 nan 0.000 0.604 184 P HA 0.065 nan 4.420 nan 0.000 0.275 184 P C -0.758 176.563 177.300 0.034 0.000 1.228 184 P CA -0.366 62.758 63.100 0.040 0.000 0.786 184 P CB 0.637 32.363 31.700 0.044 0.000 0.927 185 N N 1.881 120.606 118.700 0.042 0.000 2.379 185 N HA 0.062 4.802 4.740 0.000 0.000 0.260 185 N C 1.150 176.694 175.510 0.056 0.000 1.254 185 N CA -0.552 52.526 53.050 0.047 0.000 0.958 185 N CB -0.030 38.485 38.487 0.046 0.000 1.208 185 N HN 0.373 nan 8.380 nan 0.000 0.532 186 I N -0.341 120.273 120.570 0.073 0.000 2.208 186 I HA -0.303 3.867 4.170 0.000 0.000 0.245 186 I C 1.493 177.704 176.117 0.157 0.000 1.097 186 I CA 1.398 62.761 61.300 0.106 0.000 1.363 186 I CB -0.185 37.896 38.000 0.135 0.000 1.051 186 I HN 0.601 nan 8.210 nan 0.000 0.413 187 S N 0.573 116.349 115.700 0.127 0.000 2.353 187 S HA -0.271 4.199 4.470 0.000 0.000 0.222 187 S C 1.764 176.438 174.600 0.125 0.000 1.035 187 S CA 1.886 60.163 58.200 0.128 0.000 1.025 187 S CB -0.507 62.744 63.200 0.086 0.000 0.902 187 S HN 0.548 nan 8.310 nan 0.000 0.440 188 E N 0.665 120.920 120.200 0.092 0.000 2.118 188 E HA -0.164 4.187 4.350 0.000 0.000 0.195 188 E C 2.111 178.764 176.600 0.088 0.000 0.992 188 E CA 1.064 57.515 56.400 0.086 0.000 0.804 188 E CB -0.292 29.451 29.700 0.073 0.000 0.741 188 E HN 0.328 nan 8.360 nan 0.000 0.458 189 L N -0.167 121.083 121.223 0.045 0.000 2.017 189 L HA -0.205 4.136 4.340 0.000 0.000 0.208 189 L C 1.938 178.782 176.870 -0.042 0.000 1.073 189 L CA 1.791 56.611 54.840 -0.034 0.000 0.745 189 L CB -0.452 41.469 42.059 -0.231 0.000 0.894 189 L HN 0.115 nan 8.230 nan 0.000 0.432 190 Y N -0.522 119.833 120.300 0.092 0.000 2.286 190 Y HA -0.135 4.415 4.550 0.000 0.000 0.293 190 Y C 2.688 178.629 175.900 0.068 0.000 1.124 190 Y CA 1.235 59.380 58.100 0.076 0.000 1.178 190 Y CB -0.257 38.229 38.460 0.043 0.000 1.010 190 Y HN 0.276 nan 8.280 nan 0.000 0.536 191 Q N -0.036 119.886 119.800 0.204 0.000 2.047 191 Q HA -0.299 4.042 4.340 0.000 0.000 0.211 191 Q C 2.238 178.303 176.000 0.108 0.000 1.005 191 Q CA 2.165 58.046 55.803 0.130 0.000 0.866 191 Q CB -0.649 28.150 28.738 0.102 0.000 0.938 191 Q HN 0.422 nan 8.270 nan 0.000 0.414 192 L N 0.211 121.497 121.223 0.105 0.000 2.129 192 L HA -0.190 4.150 4.340 0.000 0.000 0.212 192 L C 1.683 178.590 176.870 0.061 0.000 1.087 192 L CA 1.445 56.333 54.840 0.079 0.000 0.757 192 L CB -0.119 42.003 42.059 0.106 0.000 0.896 192 L HN 0.175 nan 8.230 nan 0.000 0.434 193 L N -0.536 120.749 121.223 0.102 0.000 2.592 193 L HA 0.158 4.498 4.340 0.000 0.000 0.227 193 L C 0.824 177.753 176.870 0.099 0.000 1.127 193 L CA 0.373 55.273 54.840 0.100 0.000 0.884 193 L CB -1.344 40.809 42.059 0.157 0.000 1.065 193 L HN 0.497 nan 8.230 nan 0.000 0.457 194 N N 0.974 119.732 118.700 0.098 0.000 2.696 194 N HA -0.245 4.495 4.740 0.000 0.000 0.256 194 N C -0.262 175.301 175.510 0.089 0.000 1.031 194 N CA 0.609 53.707 53.050 0.079 0.000 0.730 194 N CB -0.659 37.858 38.487 0.050 0.000 0.894 194 N HN 0.537 nan 8.380 nan 0.000 0.544 195 Q N -0.282 119.595 119.800 0.128 0.000 2.416 195 Q HA 0.583 4.923 4.340 0.000 0.000 0.281 195 Q C -2.498 173.523 176.000 0.035 0.000 1.067 195 Q CA -1.627 54.239 55.803 0.105 0.000 0.809 195 Q CB 2.083 30.936 28.738 0.193 0.000 1.418 195 Q HN 0.192 nan 8.270 nan 0.000 0.411 196 P HA 0.062 nan 4.420 nan 0.000 0.275 196 P C -0.749 176.306 177.300 -0.407 0.000 1.227 196 P CA -0.333 62.677 63.100 -0.149 0.000 0.781 196 P CB 0.638 32.265 31.700 -0.121 0.000 0.906 197 L N 2.544 123.550 121.223 -0.361 0.000 2.540 197 L HA 0.073 4.413 4.340 0.000 0.000 0.276 197 L C 0.133 176.663 176.870 -0.568 0.000 1.212 197 L CA 1.015 55.532 54.840 -0.538 0.000 0.893 197 L CB -0.059 41.910 42.059 -0.151 0.000 1.138 197 L HN 0.370 nan 8.230 nan 0.000 0.491 198 D N 3.052 122.995 120.400 -0.762 0.000 2.855 198 D HA 0.188 4.828 4.640 0.000 0.000 0.241 198 D C -0.183 176.048 176.300 -0.115 0.000 1.277 198 D CA -0.352 53.431 54.000 -0.363 0.000 0.918 198 D CB 1.484 42.073 40.800 -0.353 0.000 1.462 198 D HN 0.581 nan 8.370 nan 0.000 0.559 199 E N 0.563 120.719 120.200 -0.073 0.000 2.479 199 E HA 0.088 4.438 4.350 0.000 0.000 0.193 199 E C 0.208 176.769 176.600 -0.065 0.000 1.049 199 E CA -0.089 56.290 56.400 -0.034 0.000 0.870 199 E CB 0.371 30.056 29.700 -0.023 0.000 0.944 199 E HN 0.419 nan 8.360 nan 0.000 0.492 200 S N 0.304 115.956 115.700 -0.080 0.000 2.528 200 S HA 0.160 4.630 4.470 0.000 0.000 0.277 200 S C 0.816 175.323 174.600 -0.155 0.000 1.297 200 S CA -0.497 57.647 58.200 -0.093 0.000 1.052 200 S CB 0.865 64.018 63.200 -0.078 0.000 0.917 200 S HN 0.186 nan 8.310 nan 0.000 0.492 201 L N 1.327 122.455 121.223 -0.158 0.000 2.749 201 L HA 0.045 4.385 4.340 0.000 0.000 0.245 201 L C 1.315 178.048 176.870 -0.229 0.000 1.156 201 L CA 0.484 55.182 54.840 -0.236 0.000 0.890 201 L CB -0.827 41.177 42.059 -0.091 0.000 1.036 201 L HN 0.672 nan 8.230 nan 0.000 0.441 202 E N -1.669 118.425 120.200 -0.178 0.000 2.364 202 E HA -0.012 4.338 4.350 0.000 0.000 0.203 202 E C 2.176 178.697 176.600 -0.132 0.000 0.888 202 E CA 0.349 56.660 56.400 -0.147 0.000 0.989 202 E CB 0.206 29.851 29.700 -0.092 0.000 0.985 202 E HN 0.117 nan 8.360 nan 0.000 0.499 203 S N 0.278 115.915 115.700 -0.106 0.000 2.335 203 S HA -0.023 4.447 4.470 0.000 0.000 0.217 203 S C 1.869 176.445 174.600 -0.041 0.000 1.032 203 S CA 0.752 58.936 58.200 -0.027 0.000 0.985 203 S CB -0.307 62.904 63.200 0.018 0.000 0.896 203 S HN 0.139 nan 8.310 nan 0.000 0.445 204 L N 1.371 122.492 121.223 -0.170 0.000 2.051 204 L HA -0.210 4.130 4.340 0.000 0.000 0.214 204 L C 2.727 179.389 176.870 -0.347 0.000 1.076 204 L CA 1.624 56.226 54.840 -0.397 0.000 0.758 204 L CB -0.522 40.968 42.059 -0.948 0.000 0.890 204 L HN 0.311 nan 8.230 nan 0.000 0.433 205 K N -0.405 119.772 120.400 -0.373 0.000 2.032 205 K HA -0.225 4.095 4.320 0.000 0.000 0.209 205 K C 2.184 178.745 176.600 -0.065 0.000 1.048 205 K CA 1.632 57.762 56.287 -0.261 0.000 0.927 205 K CB -0.149 32.019 32.500 -0.552 0.000 0.712 205 K HN 0.448 nan 8.250 nan 0.000 0.441 206 Q N -0.130 119.637 119.800 -0.055 0.000 2.079 206 Q HA -0.098 4.242 4.340 0.000 0.000 0.200 206 Q C 2.164 178.215 176.000 0.086 0.000 0.974 206 Q CA 1.223 57.044 55.803 0.030 0.000 0.840 206 Q CB -0.127 28.625 28.738 0.023 0.000 0.898 206 Q HN 0.311 nan 8.270 nan 0.000 0.430 207 A N 0.929 123.786 122.820 0.062 0.000 1.865 207 A HA -0.183 4.137 4.320 0.000 0.000 0.217 207 A C 2.301 179.957 177.584 0.120 0.000 1.191 207 A CA 2.028 54.108 52.037 0.071 0.000 0.623 207 A CB -1.083 17.848 19.000 -0.116 0.000 0.826 207 A HN 0.351 nan 8.150 nan 0.000 0.444 208 V N -3.152 116.771 119.914 0.015 0.000 3.141 208 V HA -0.004 4.116 4.120 0.000 0.000 0.265 208 V C 1.677 177.851 176.094 0.132 0.000 1.126 208 V CA 2.123 64.350 62.300 -0.123 0.000 1.141 208 V CB -0.388 31.421 31.823 -0.024 0.000 0.743 208 V HN 0.316 nan 8.190 nan 0.000 0.492 209 S N -0.603 115.238 115.700 0.235 0.000 2.575 209 S HA 0.172 4.642 4.470 0.000 0.000 0.215 209 S C 0.860 175.597 174.600 0.228 0.000 0.966 209 S CA -0.086 58.262 58.200 0.246 0.000 0.911 209 S CB -0.273 63.086 63.200 0.265 0.000 0.780 209 S HN 0.736 nan 8.310 nan 0.000 0.514 210 Q N 1.936 121.904 119.800 0.280 0.000 2.386 210 Q HA 0.027 4.367 4.340 0.000 0.000 0.282 210 Q C -1.469 174.633 176.000 0.169 0.000 1.050 210 Q CA -1.179 54.752 55.803 0.215 0.000 0.918 210 Q CB 0.329 29.197 28.738 0.217 0.000 1.266 210 Q HN 0.126 nan 8.270 nan 0.000 0.423 211 P HA -0.179 nan 4.420 nan 0.000 0.222 211 P C 1.092 178.376 177.300 -0.026 0.000 1.147 211 P CA 0.834 63.956 63.100 0.036 0.000 0.790 211 P CB 0.152 31.861 31.700 0.016 0.000 0.780 212 L N -1.011 120.138 121.223 -0.124 0.000 2.187 212 L HA -0.054 4.287 4.340 0.000 0.000 0.213 212 L C 1.748 178.397 176.870 -0.368 0.000 1.100 212 L CA 1.770 56.420 54.840 -0.316 0.000 0.765 212 L CB -1.123 40.614 42.059 -0.537 0.000 0.904 212 L HN -0.181 nan 8.230 nan 0.000 0.437 213 F N -0.744 119.220 119.950 0.024 0.000 2.641 213 F HA 0.223 4.751 4.527 0.000 0.000 0.302 213 F C 1.151 176.959 175.800 0.013 0.000 1.098 213 F CA -0.495 57.520 58.000 0.025 0.000 1.318 213 F CB -0.174 38.849 39.000 0.037 0.000 1.035 213 F HN 0.051 nan 8.300 nan 0.000 0.551 214 E N 0.493 120.768 120.200 0.125 0.000 2.413 214 E HA 0.253 4.603 4.350 0.000 0.000 0.263 214 E C 1.278 177.907 176.600 0.047 0.000 1.015 214 E CA 0.864 57.306 56.400 0.069 0.000 0.916 214 E CB 0.564 30.285 29.700 0.034 0.000 0.947 214 E HN 0.469 nan 8.360 nan 0.000 0.440 215 G N 3.803 112.616 108.800 0.021 0.000 2.179 215 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 215 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 215 G C 0.168 175.088 174.900 0.032 0.000 0.977 215 G CA 0.259 45.366 45.100 0.012 0.000 0.641 215 G HN 0.528 nan 8.290 nan 0.000 0.533 216 I N 1.062 121.664 120.570 0.054 0.000 2.312 216 I HA 0.273 4.443 4.170 0.000 0.000 0.290 216 I C 1.435 177.578 176.117 0.044 0.000 1.008 216 I CA -0.427 60.919 61.300 0.078 0.000 1.226 216 I CB 1.479 39.557 38.000 0.131 0.000 1.371 216 I HN 0.256 nan 8.210 nan 0.000 0.468 217 E N 5.413 125.650 120.200 0.062 0.000 2.038 217 E HA -0.150 4.200 4.350 0.000 0.000 0.195 217 E C -0.327 176.287 176.600 0.024 0.000 1.000 217 E CA 1.514 57.935 56.400 0.035 0.000 0.803 217 E CB 0.298 30.073 29.700 0.124 0.000 0.750 217 E HN 0.562 nan 8.360 nan 0.000 0.448 218 W N 0.056 121.387 121.300 0.052 0.000 2.532 218 W HA 0.476 5.136 4.660 0.000 0.000 0.321 218 W C -0.992 175.507 176.519 -0.033 0.000 1.037 218 W CA -0.614 56.730 57.345 -0.003 0.000 1.220 218 W CB 1.211 30.621 29.460 -0.084 0.000 1.361 218 W HN -0.067 nan 8.180 nan 0.000 0.468 219 I N 5.890 126.585 120.570 0.209 0.000 2.390 219 I HA 0.336 4.506 4.170 0.000 0.000 0.283 219 I C -0.475 175.706 176.117 0.107 0.000 1.016 219 I CA -0.633 60.717 61.300 0.083 0.000 1.151 219 I CB 0.764 38.716 38.000 -0.080 0.000 1.293 219 I HN 0.204 nan 8.210 nan 0.000 0.458 220 I N 7.137 127.758 120.570 0.085 0.000 2.371 220 I HA 0.272 4.442 4.170 0.000 0.000 0.282 220 I C -0.395 175.746 176.117 0.039 0.000 1.031 220 I CA -0.763 60.570 61.300 0.055 0.000 1.180 220 I CB 1.442 39.428 38.000 -0.022 0.000 1.336 220 I HN 0.197 nan 8.210 nan 0.000 0.467 221 V N 5.486 125.450 119.914 0.084 0.000 2.334 221 V HA 0.171 4.292 4.120 0.000 0.000 0.267 221 V C 0.682 176.834 176.094 0.096 0.000 1.040 221 V CA -0.455 61.905 62.300 0.099 0.000 0.866 221 V CB 0.870 32.798 31.823 0.176 0.000 1.019 221 V HN 0.848 nan 8.190 nan 0.000 0.468 222 S N 5.704 121.437 115.700 0.055 0.000 2.584 222 S HA 0.634 5.104 4.470 0.000 0.000 0.273 222 S C -0.032 174.600 174.600 0.053 0.000 1.311 222 S CA -0.639 57.586 58.200 0.042 0.000 1.034 222 S CB 1.071 64.281 63.200 0.017 0.000 0.939 222 S HN 0.545 nan 8.310 nan 0.000 0.513 223 L N 2.241 123.492 121.223 0.048 0.000 3.289 223 L HA 0.420 4.760 4.340 0.000 0.000 0.291 223 L C 1.446 178.337 176.870 0.034 0.000 1.279 223 L CA -0.202 54.669 54.840 0.051 0.000 1.025 223 L CB -0.664 41.433 42.059 0.063 0.000 1.413 223 L HN 1.151 nan 8.230 nan 0.000 0.593 224 G N 1.657 110.473 108.800 0.026 0.000 2.629 224 G HA2 -0.466 3.494 3.960 0.000 0.000 0.313 224 G HA3 -0.466 3.494 3.960 0.000 0.000 0.313 224 G C 1.086 175.993 174.900 0.011 0.000 1.217 224 G CA 0.890 46.001 45.100 0.018 0.000 0.994 224 G HN 0.381 nan 8.290 nan 0.000 0.549 225 A N -0.865 121.962 122.820 0.011 0.000 1.978 225 A HA -0.021 4.300 4.320 0.000 0.000 0.220 225 A C 2.330 179.918 177.584 0.006 0.000 1.170 225 A CA 2.432 54.472 52.037 0.006 0.000 0.636 225 A CB -0.470 18.534 19.000 0.006 0.000 0.810 225 A HN 0.755 nan 8.150 nan 0.000 0.448 226 Q N -1.344 118.464 119.800 0.014 0.000 2.436 226 Q HA 0.261 4.601 4.340 0.000 0.000 0.209 226 Q C 1.327 177.339 176.000 0.021 0.000 0.965 226 Q CA 0.381 56.196 55.803 0.019 0.000 0.910 226 Q CB -0.094 28.661 28.738 0.028 0.000 0.980 226 Q HN 0.834 nan 8.270 nan 0.000 0.491 227 G N 0.680 109.488 108.800 0.014 0.000 2.936 227 G HA2 -0.093 3.867 3.960 0.000 0.000 0.237 227 G HA3 -0.093 3.867 3.960 0.000 0.000 0.237 227 G C -0.861 174.052 174.900 0.022 0.000 1.403 227 G CA -0.422 44.681 45.100 0.004 0.000 1.011 227 G HN 0.640 nan 8.290 nan 0.000 0.568 228 A N -1.066 121.780 122.820 0.044 0.000 2.604 228 A HA 0.791 5.111 4.320 0.000 0.000 0.295 228 A C -1.401 176.281 177.584 0.164 0.000 1.067 228 A CA 0.356 52.439 52.037 0.077 0.000 0.683 228 A CB 1.560 20.569 19.000 0.014 0.000 1.281 228 A HN 2.130 nan 8.150 nan 0.000 0.407 229 F N 1.536 121.516 119.950 0.049 0.000 2.482 229 F HA 0.787 5.314 4.527 0.000 0.000 0.331 229 F C -0.025 175.850 175.800 0.125 0.000 1.115 229 F CA -0.093 57.961 58.000 0.089 0.000 0.955 229 F CB 1.663 40.704 39.000 0.067 0.000 1.136 229 F HN 0.991 nan 8.300 nan 0.000 0.452 230 A N 6.086 128.575 122.820 -0.552 0.000 2.435 230 A HA 0.637 4.958 4.320 0.000 0.000 0.304 230 A C -1.605 175.749 177.584 -0.383 0.000 1.064 230 A CA -0.928 50.960 52.037 -0.249 0.000 0.727 230 A CB 1.688 20.782 19.000 0.157 0.000 1.284 230 A HN 0.758 nan 8.150 nan 0.000 0.415 231 K N 1.541 121.835 120.400 -0.177 0.000 2.358 231 K HA 0.393 4.713 4.320 0.000 0.000 0.260 231 K C -1.431 175.014 176.600 -0.258 0.000 0.956 231 K CA -0.352 55.769 56.287 -0.275 0.000 0.834 231 K CB 0.897 33.262 32.500 -0.225 0.000 1.102 231 K HN 0.971 nan 8.250 nan 0.000 0.431 232 H N 5.363 124.068 119.070 -0.609 0.000 2.587 232 H HA 0.158 4.715 4.556 0.000 0.000 0.325 232 H C -0.004 174.924 175.328 -0.667 0.000 1.012 232 H CA -0.465 55.024 56.048 -0.932 0.000 1.213 232 H CB 0.701 29.567 29.762 -1.494 0.000 1.431 232 H HN 0.864 nan 8.280 nan 0.000 0.492 233 N N 2.216 120.521 118.700 -0.658 0.000 1.414 233 N HA -0.329 4.411 4.740 0.000 0.000 0.142 233 N C 0.764 175.851 175.510 -0.706 0.000 0.587 233 N CA 2.065 54.713 53.050 -0.670 0.000 1.068 233 N CB -0.950 37.118 38.487 -0.699 0.000 1.317 233 N HN 0.775 nan 8.380 nan 0.000 0.463 234 H N 0.139 118.944 119.070 -0.442 0.000 2.575 234 H HA 0.162 4.719 4.556 0.000 0.000 0.267 234 H C 0.506 175.468 175.328 -0.610 0.000 0.966 234 H CA 0.992 56.784 56.048 -0.428 0.000 1.165 234 H CB 0.267 29.875 29.762 -0.255 0.000 1.433 234 H HN 0.499 nan 8.280 nan 0.000 0.544 235 T N 0.097 114.319 114.554 -0.554 0.000 2.875 235 T HA 0.415 4.765 4.350 0.000 0.000 0.284 235 T C -0.458 173.740 174.700 -0.837 0.000 0.995 235 T CA -0.535 61.205 62.100 -0.601 0.000 1.060 235 T CB 0.563 69.140 68.868 -0.484 0.000 0.967 235 T HN -0.114 nan 8.240 nan 0.000 0.476 236 F N 2.997 122.714 119.950 -0.390 0.000 2.458 236 F HA 0.641 5.168 4.527 0.000 0.000 0.330 236 F C -0.473 175.021 175.800 -0.510 0.000 1.082 236 F CA -0.855 56.912 58.000 -0.388 0.000 0.995 236 F CB 1.305 40.223 39.000 -0.136 0.000 1.170 236 F HN 0.517 nan 8.300 nan 0.000 0.478 237 Y N 0.514 120.749 120.300 -0.108 0.000 2.512 237 Y HA 0.638 5.188 4.550 0.000 0.000 0.348 237 Y C -0.441 175.417 175.900 -0.071 0.000 0.990 237 Y CA -1.180 56.877 58.100 -0.071 0.000 1.033 237 Y CB 1.981 40.392 38.460 -0.081 0.000 1.259 237 Y HN 0.372 nan 8.280 nan 0.000 0.461 238 R N 1.196 121.818 120.500 0.203 0.000 2.445 238 R HA 0.743 5.083 4.340 0.000 0.000 0.308 238 R C -2.065 174.287 176.300 0.086 0.000 0.961 238 R CA -0.840 55.365 56.100 0.175 0.000 0.862 238 R CB 1.188 31.598 30.300 0.184 0.000 1.144 238 R HN 0.501 nan 8.270 nan 0.000 0.447 239 V N 5.798 125.742 119.914 0.050 0.000 2.313 239 V HA 0.419 4.539 4.120 0.000 0.000 0.278 239 V C -0.452 175.635 176.094 -0.011 0.000 1.017 239 V CA -0.941 61.344 62.300 -0.026 0.000 0.823 239 V CB 1.198 32.975 31.823 -0.076 0.000 1.010 239 V HN 0.696 nan 8.190 nan 0.000 0.443 240 N N 5.605 124.293 118.700 -0.020 0.000 2.438 240 N HA 0.645 5.386 4.740 0.000 0.000 0.282 240 N C -0.493 174.992 175.510 -0.042 0.000 1.037 240 N CA -0.252 52.789 53.050 -0.015 0.000 0.942 240 N CB 2.585 41.072 38.487 0.000 0.000 1.136 240 N HN 0.777 nan 8.380 nan 0.000 0.481 241 I N -1.161 119.387 120.570 -0.036 0.000 2.785 241 I HA 0.676 4.846 4.170 0.000 0.000 0.302 241 I C -2.387 173.710 176.117 -0.034 0.000 1.069 241 I CA -2.101 59.169 61.300 -0.050 0.000 1.045 241 I CB 1.993 39.959 38.000 -0.058 0.000 1.236 241 I HN 0.233 nan 8.210 nan 0.000 0.429 242 P HA 0.250 nan 4.420 nan 0.000 0.276 242 P C -0.533 176.756 177.300 -0.018 0.000 1.244 242 P CA -0.144 62.942 63.100 -0.023 0.000 0.801 242 P CB 0.782 32.468 31.700 -0.024 0.000 1.006 243 T N 1.746 116.294 114.554 -0.011 0.000 2.884 243 T HA 0.494 4.844 4.350 0.000 0.000 0.298 243 T C 0.625 175.322 174.700 -0.006 0.000 0.998 243 T CA -0.071 62.025 62.100 -0.007 0.000 1.124 243 T CB -0.107 68.760 68.868 -0.003 0.000 0.931 243 T HN 0.411 nan 8.240 nan 0.000 0.531 244 I N -1.626 118.942 120.570 -0.004 0.000 3.174 244 I HA 0.640 4.810 4.170 0.000 0.000 0.313 244 I C -0.400 175.719 176.117 0.003 0.000 1.155 244 I CA -1.276 60.023 61.300 -0.002 0.000 0.977 244 I CB 2.018 40.015 38.000 -0.005 0.000 1.248 244 I HN 0.303 nan 8.210 nan 0.000 0.453 245 S N 2.055 117.759 115.700 0.006 0.000 2.443 245 S HA 0.348 4.818 4.470 0.000 0.000 0.284 245 S C -0.166 174.442 174.600 0.013 0.000 1.206 245 S CA -0.477 57.729 58.200 0.010 0.000 1.074 245 S CB 0.329 63.537 63.200 0.013 0.000 0.963 245 S HN 0.364 nan 8.310 nan 0.000 0.501 246 V N 6.084 126.005 119.914 0.012 0.000 2.384 246 V HA 0.435 4.555 4.120 0.000 0.000 0.287 246 V C -0.255 175.849 176.094 0.017 0.000 1.020 246 V CA -0.742 61.567 62.300 0.014 0.000 0.850 246 V CB 0.764 32.593 31.823 0.011 0.000 0.987 246 V HN 0.749 nan 8.190 nan 0.000 0.436 247 L N 2.699 123.936 121.223 0.022 0.000 2.427 247 L HA 0.719 5.059 4.340 0.000 0.000 0.264 247 L C -0.165 176.722 176.870 0.028 0.000 0.989 247 L CA -0.702 54.152 54.840 0.024 0.000 0.865 247 L CB 1.181 43.256 42.059 0.026 0.000 1.209 247 L HN 0.497 nan 8.230 nan 0.000 0.430 248 N N 2.934 121.648 118.700 0.024 0.000 2.385 248 N HA -0.099 4.641 4.740 0.000 0.000 0.290 248 N C -2.192 173.335 175.510 0.029 0.000 1.440 248 N CA 0.278 53.343 53.050 0.026 0.000 0.633 248 N CB 0.277 38.781 38.487 0.030 0.000 0.927 248 N HN 0.531 nan 8.380 nan 0.000 0.496 249 P HA 0.086 nan 4.420 nan 0.000 0.257 249 P C 0.116 177.432 177.300 0.026 0.000 1.281 249 P CA 0.048 63.162 63.100 0.024 0.000 0.826 249 P CB 0.374 32.085 31.700 0.019 0.000 1.237 250 V N 1.095 121.027 119.914 0.029 0.000 2.529 250 V HA 0.301 4.421 4.120 0.000 0.000 0.292 250 V C 1.731 177.847 176.094 0.037 0.000 1.028 250 V CA 1.719 64.038 62.300 0.032 0.000 1.074 250 V CB -0.458 31.384 31.823 0.031 0.000 0.958 250 V HN 0.537 nan 8.190 nan 0.000 0.481 251 G N 4.089 112.910 108.800 0.035 0.000 2.175 251 G HA2 -0.272 3.688 3.960 0.000 0.000 0.244 251 G HA3 -0.272 3.688 3.960 0.000 0.000 0.244 251 G C 0.996 175.914 174.900 0.030 0.000 0.982 251 G CA 0.443 45.565 45.100 0.037 0.000 0.641 251 G HN 0.679 nan 8.290 nan 0.000 0.527 252 S N -0.015 115.699 115.700 0.024 0.000 2.406 252 S HA 0.117 4.587 4.470 0.000 0.000 0.228 252 S C 2.525 177.130 174.600 0.008 0.000 1.020 252 S CA 1.735 59.944 58.200 0.015 0.000 0.965 252 S CB -0.318 62.889 63.200 0.012 0.000 0.798 252 S HN 1.139 nan 8.310 nan 0.000 0.488 253 G N 2.047 110.854 108.800 0.011 0.000 2.418 253 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 253 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 253 G C 1.005 175.907 174.900 0.002 0.000 1.158 253 G CA 0.953 46.057 45.100 0.006 0.000 0.771 253 G HN 0.390 nan 8.290 nan 0.000 0.545 254 D N 0.816 121.224 120.400 0.012 0.000 2.144 254 D HA -0.063 4.577 4.640 0.000 0.000 0.199 254 D C 2.834 179.137 176.300 0.006 0.000 0.984 254 D CA 1.224 55.232 54.000 0.013 0.000 0.834 254 D CB -0.304 40.512 40.800 0.028 0.000 0.955 254 D HN 0.268 nan 8.370 nan 0.000 0.465 255 S N -0.028 115.677 115.700 0.008 0.000 2.383 255 S HA -0.096 4.375 4.470 0.000 0.000 0.227 255 S C 2.106 176.700 174.600 -0.009 0.000 1.026 255 S CA 1.117 59.319 58.200 0.003 0.000 0.981 255 S CB -0.311 62.894 63.200 0.008 0.000 0.818 255 S HN 0.283 nan 8.310 nan 0.000 0.472 256 T N 2.217 116.760 114.554 -0.019 0.000 2.746 256 T HA -0.053 4.297 4.350 0.000 0.000 0.267 256 T C 1.949 176.613 174.700 -0.060 0.000 1.039 256 T CA 1.144 63.219 62.100 -0.041 0.000 1.142 256 T CB -0.411 68.430 68.868 -0.044 0.000 0.866 256 T HN 0.173 nan 8.240 nan 0.000 0.444 257 V N 1.714 121.599 119.914 -0.048 0.000 2.343 257 V HA -0.196 3.924 4.120 0.000 0.000 0.247 257 V C 2.868 178.925 176.094 -0.061 0.000 1.051 257 V CA 1.713 63.978 62.300 -0.059 0.000 1.036 257 V CB -1.223 30.577 31.823 -0.038 0.000 0.654 257 V HN 0.532 nan 8.190 nan 0.000 0.451 258 A N 0.511 123.307 122.820 -0.040 0.000 1.883 258 A HA -0.161 4.159 4.320 0.000 0.000 0.217 258 A C 2.445 179.998 177.584 -0.052 0.000 1.186 258 A CA 2.189 54.202 52.037 -0.039 0.000 0.624 258 A CB -1.360 17.627 19.000 -0.021 0.000 0.822 258 A HN 0.536 nan 8.150 nan 0.000 0.444 259 G N -0.026 108.748 108.800 -0.042 0.000 2.446 259 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 259 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 259 G C 1.543 176.386 174.900 -0.095 0.000 1.168 259 G CA 1.201 46.277 45.100 -0.039 0.000 0.771 259 G HN 0.489 nan 8.290 nan 0.000 0.551 260 I N 0.870 121.355 120.570 -0.142 0.000 2.163 260 I HA -0.192 3.978 4.170 0.000 0.000 0.243 260 I C 3.019 179.020 176.117 -0.193 0.000 1.085 260 I CA 1.658 62.823 61.300 -0.225 0.000 1.347 260 I CB -0.523 37.322 38.000 -0.257 0.000 1.044 260 I HN 0.121 nan 8.210 nan 0.000 0.408 261 T N -0.538 113.931 114.554 -0.141 0.000 2.746 261 T HA -0.198 4.152 4.350 0.000 0.000 0.267 261 T C 2.084 176.706 174.700 -0.130 0.000 1.039 261 T CA 1.675 63.700 62.100 -0.125 0.000 1.142 261 T CB -0.319 68.492 68.868 -0.095 0.000 0.866 261 T HN 0.363 nan 8.240 nan 0.000 0.444 262 S N 1.317 116.950 115.700 -0.112 0.000 2.359 262 S HA -0.140 4.330 4.470 0.000 0.000 0.224 262 S C 2.386 176.921 174.600 -0.108 0.000 1.035 262 S CA 1.491 59.628 58.200 -0.105 0.000 1.018 262 S CB -0.586 62.567 63.200 -0.079 0.000 0.876 262 S HN 0.530 nan 8.310 nan 0.000 0.448 263 A N 1.568 124.322 122.820 -0.111 0.000 1.930 263 A HA 0.066 4.386 4.320 0.000 0.000 0.217 263 A C 2.154 179.662 177.584 -0.126 0.000 1.175 263 A CA 1.345 53.319 52.037 -0.105 0.000 0.627 263 A CB -0.606 18.318 19.000 -0.127 0.000 0.815 263 A HN 0.582 nan 8.150 nan 0.000 0.443 264 I N -0.548 119.926 120.570 -0.160 0.000 2.252 264 I HA -0.190 3.981 4.170 0.000 0.000 0.245 264 I C 2.443 178.410 176.117 -0.251 0.000 1.102 264 I CA 1.175 62.383 61.300 -0.153 0.000 1.385 264 I CB -1.242 36.683 38.000 -0.125 0.000 1.064 264 I HN 0.370 nan 8.210 nan 0.000 0.414 265 L N 1.451 122.534 121.223 -0.233 0.000 2.043 265 L HA -0.196 4.144 4.340 0.000 0.000 0.212 265 L C 1.898 178.583 176.870 -0.308 0.000 1.075 265 L CA 1.972 56.641 54.840 -0.285 0.000 0.752 265 L CB -0.715 41.182 42.059 -0.270 0.000 0.891 265 L HN 0.260 nan 8.230 nan 0.000 0.432 266 N N -1.129 117.456 118.700 -0.191 0.000 2.398 266 N HA -0.039 4.701 4.740 0.000 0.000 0.188 266 N C -0.366 175.136 175.510 -0.013 0.000 1.122 266 N CA 0.563 53.577 53.050 -0.060 0.000 0.866 266 N CB -0.148 38.338 38.487 -0.003 0.000 0.970 266 N HN 0.557 nan 8.380 nan 0.000 0.462 267 H N 0.209 119.308 119.070 0.048 0.000 2.770 267 H HA -0.136 4.420 4.556 0.000 0.000 0.309 267 H C -0.400 174.961 175.328 0.054 0.000 1.206 267 H CA 0.474 56.555 56.048 0.055 0.000 1.147 267 H CB -1.898 27.899 29.762 0.059 0.000 1.422 267 H HN 0.341 nan 8.280 nan 0.000 0.420 268 E N 1.339 121.599 120.200 0.100 0.000 2.404 268 E HA 0.073 4.423 4.350 0.000 0.000 0.261 268 E C 0.835 177.505 176.600 0.115 0.000 1.074 268 E CA -0.257 56.196 56.400 0.088 0.000 0.917 268 E CB 0.517 30.245 29.700 0.047 0.000 0.965 268 E HN 0.528 nan 8.360 nan 0.000 0.433 269 N N 1.299 120.073 118.700 0.123 0.000 2.354 269 N HA -0.063 4.677 4.740 0.000 0.000 0.246 269 N C -0.039 175.569 175.510 0.164 0.000 1.285 269 N CA -0.156 52.987 53.050 0.156 0.000 0.925 269 N CB 0.461 39.030 38.487 0.136 0.000 1.174 269 N HN 0.271 nan 8.380 nan 0.000 0.478 270 D N -0.733 119.811 120.400 0.240 0.000 2.133 270 D HA -0.177 4.463 4.640 0.000 0.000 0.195 270 D C 1.362 177.658 176.300 -0.007 0.000 0.997 270 D CA 1.735 55.872 54.000 0.229 0.000 0.840 270 D CB -0.380 40.580 40.800 0.268 0.000 0.947 270 D HN 0.631 nan 8.370 nan 0.000 0.452 271 H N 0.183 119.197 119.070 -0.095 0.000 2.326 271 H HA -0.035 4.522 4.556 0.000 0.000 0.301 271 H C 1.596 176.873 175.328 -0.086 0.000 1.081 271 H CA 1.346 57.319 56.048 -0.125 0.000 1.334 271 H CB -0.172 29.562 29.762 -0.047 0.000 1.385 271 H HN 0.063 nan 8.280 nan 0.000 0.504 272 D N 0.129 120.613 120.400 0.140 0.000 2.117 272 D HA -0.131 4.509 4.640 0.000 0.000 0.197 272 D C 2.353 178.703 176.300 0.083 0.000 0.987 272 D CA 0.609 54.715 54.000 0.176 0.000 0.829 272 D CB -0.431 40.482 40.800 0.187 0.000 0.961 272 D HN 0.275 nan 8.370 nan 0.000 0.460 273 L N 0.276 121.481 121.223 -0.029 0.000 1.994 273 L HA -0.153 4.187 4.340 0.000 0.000 0.208 273 L C 2.307 179.037 176.870 -0.232 0.000 1.071 273 L CA 1.111 55.855 54.840 -0.160 0.000 0.745 273 L CB -0.190 41.685 42.059 -0.307 0.000 0.892 273 L HN 0.000 nan 8.230 nan 0.000 0.431 274 L N -0.319 120.732 121.223 -0.287 0.000 2.083 274 L HA -0.225 4.115 4.340 0.000 0.000 0.209 274 L C 2.656 179.376 176.870 -0.249 0.000 1.083 274 L CA 1.442 56.100 54.840 -0.303 0.000 0.752 274 L CB -0.433 41.417 42.059 -0.348 0.000 0.899 274 L HN 0.258 nan 8.230 nan 0.000 0.433 275 K N 0.009 120.250 120.400 -0.265 0.000 2.057 275 K HA -0.199 4.121 4.320 0.000 0.000 0.206 275 K C 2.150 178.621 176.600 -0.216 0.000 1.050 275 K CA 1.154 57.186 56.287 -0.426 0.000 0.935 275 K CB -0.068 31.899 32.500 -0.887 0.000 0.715 275 K HN 0.153 nan 8.250 nan 0.000 0.439 276 K N 1.187 121.645 120.400 0.096 0.000 2.026 276 K HA -0.142 4.178 4.320 0.000 0.000 0.208 276 K C 2.178 178.824 176.600 0.077 0.000 1.048 276 K CA 1.296 57.742 56.287 0.265 0.000 0.929 276 K CB -0.169 32.495 32.500 0.273 0.000 0.713 276 K HN 0.100 nan 8.250 nan 0.000 0.439 277 A N 2.021 124.817 122.820 -0.040 0.000 1.869 277 A HA -0.261 4.059 4.320 0.000 0.000 0.218 277 A C 1.961 179.502 177.584 -0.071 0.000 1.203 277 A CA 2.115 54.102 52.037 -0.083 0.000 0.638 277 A CB -0.992 17.910 19.000 -0.164 0.000 0.831 277 A HN 0.502 nan 8.150 nan 0.000 0.450 278 N N -0.938 117.698 118.700 -0.106 0.000 2.188 278 N HA -0.110 4.630 4.740 0.000 0.000 0.184 278 N C 1.777 177.228 175.510 -0.098 0.000 1.018 278 N CA 1.821 54.808 53.050 -0.104 0.000 0.858 278 N CB -0.417 37.990 38.487 -0.132 0.000 0.989 278 N HN 0.543 nan 8.380 nan 0.000 0.426 279 T N 2.342 116.821 114.554 -0.124 0.000 2.684 279 T HA -0.072 4.278 4.350 0.000 0.000 0.267 279 T C 2.159 176.824 174.700 -0.059 0.000 1.036 279 T CA 0.809 62.816 62.100 -0.155 0.000 1.148 279 T CB -0.247 68.417 68.868 -0.341 0.000 0.863 279 T HN 0.169 nan 8.240 nan 0.000 0.436 280 L N 0.526 121.763 121.223 0.023 0.000 2.093 280 L HA 0.099 4.439 4.340 0.000 0.000 0.208 280 L C 1.991 178.865 176.870 0.008 0.000 1.085 280 L CA 0.416 55.288 54.840 0.052 0.000 0.755 280 L CB -1.195 40.909 42.059 0.075 0.000 0.904 280 L HN 0.285 nan 8.230 nan 0.000 0.435 284 N N 1.524 120.224 118.700 0.000 0.000 2.188 284 N HA -0.085 4.655 4.740 0.000 0.000 0.184 284 N C 1.628 177.161 175.510 0.038 0.000 1.018 284 N CA 1.647 54.711 53.050 0.023 0.000 0.858 284 N CB 0.134 38.637 38.487 0.026 0.000 0.989 284 N HN 0.389 nan 8.380 nan 0.000 0.426 285 A N 0.070 122.904 122.820 0.023 0.000 2.121 285 A HA -0.129 4.191 4.320 0.000 0.000 0.218 285 A C 1.682 179.283 177.584 0.028 0.000 1.154 285 A CA 1.300 53.351 52.037 0.024 0.000 0.679 285 A CB -0.478 18.530 19.000 0.013 0.000 0.795 285 A HN 0.732 nan 8.150 nan 0.000 0.458 286 Q N -1.704 118.115 119.800 0.031 0.000 2.198 286 Q HA 0.313 4.653 4.340 0.000 0.000 0.209 286 Q C 0.560 176.594 176.000 0.058 0.000 0.848 286 Q CA 0.369 56.194 55.803 0.036 0.000 0.974 286 Q CB 0.245 28.998 28.738 0.026 0.000 1.115 286 Q HN 0.361 nan 8.270 nan 0.000 0.494 287 E N -0.138 120.109 120.200 0.079 0.000 2.562 287 E HA 0.337 4.688 4.350 0.000 0.000 0.214 287 E C 0.669 177.352 176.600 0.139 0.000 0.979 287 E CA 0.604 57.087 56.400 0.139 0.000 1.002 287 E CB 0.657 30.470 29.700 0.187 0.000 1.048 287 E HN 0.418 nan 8.360 nan 0.000 0.488 288 A N -0.406 122.465 122.820 0.085 0.000 1.467 288 A HA -0.378 3.942 4.320 0.000 0.000 0.224 288 A C 0.649 178.265 177.584 0.053 0.000 0.419 288 A CA 1.828 53.899 52.037 0.057 0.000 1.100 288 A CB -1.477 17.548 19.000 0.042 0.000 1.463 288 A HN 0.374 nan 8.150 nan 0.000 0.719 289 Q N 0.737 120.576 119.800 0.064 0.000 2.394 289 Q HA 0.455 4.796 4.340 0.000 0.000 0.248 289 Q C -0.286 175.770 176.000 0.093 0.000 0.992 289 Q CA 0.540 56.374 55.803 0.052 0.000 0.888 289 Q CB 0.326 29.063 28.738 -0.002 0.000 1.257 289 Q HN 0.565 nan 8.270 nan 0.000 0.462 290 T N 1.094 115.691 114.554 0.071 0.000 2.780 290 T HA 0.378 4.728 4.350 0.000 0.000 0.294 290 T C 0.684 175.443 174.700 0.098 0.000 0.949 290 T CA 0.408 62.552 62.100 0.074 0.000 1.074 290 T CB 0.626 69.525 68.868 0.051 0.000 0.910 290 T HN 0.873 nan 8.240 nan 0.000 0.501 291 G N 2.531 111.392 108.800 0.101 0.000 2.256 291 G HA2 -0.232 3.728 3.960 0.000 0.000 0.272 291 G HA3 -0.232 3.728 3.960 0.000 0.000 0.272 291 G C -0.418 174.581 174.900 0.165 0.000 1.076 291 G CA -0.014 45.148 45.100 0.103 0.000 0.882 291 G HN 0.816 nan 8.290 nan 0.000 0.497 292 Y N -0.391 119.925 120.300 0.027 0.000 2.457 292 Y HA 0.631 5.181 4.550 0.000 0.000 0.343 292 Y C -0.159 175.761 175.900 0.032 0.000 0.994 292 Y CA -0.690 57.427 58.100 0.028 0.000 1.031 292 Y CB 2.241 40.717 38.460 0.026 0.000 1.246 292 Y HN 0.875 nan 8.280 nan 0.000 0.449 293 V N 2.711 122.159 119.914 -0.777 0.000 2.962 293 V HA 0.612 4.732 4.120 0.000 0.000 0.313 293 V C -1.311 174.369 176.094 -0.690 0.000 1.099 293 V CA -0.968 61.011 62.300 -0.536 0.000 0.971 293 V CB 2.033 33.736 31.823 -0.201 0.000 1.028 293 V HN 0.857 nan 8.190 nan 0.000 0.430 294 N N 2.639 121.146 118.700 -0.322 0.000 2.546 294 N HA 0.442 5.182 4.740 0.000 0.000 0.238 294 N C 0.458 175.939 175.510 -0.048 0.000 0.984 294 N CA -0.455 52.497 53.050 -0.163 0.000 0.935 294 N CB 1.310 39.772 38.487 -0.042 0.000 1.122 294 N HN 0.870 nan 8.380 nan 0.000 0.510 295 L N 2.593 123.787 121.223 -0.048 0.000 2.552 295 L HA 0.024 4.364 4.340 0.000 0.000 0.227 295 L C 1.492 178.386 176.870 0.040 0.000 1.146 295 L CA 0.433 55.275 54.840 0.003 0.000 0.858 295 L CB -0.176 41.831 42.059 -0.087 0.000 0.969 295 L HN 0.517 nan 8.230 nan 0.000 0.451 296 N N 0.462 119.178 118.700 0.027 0.000 2.120 296 N HA -0.143 4.597 4.740 0.000 0.000 0.188 296 N C 1.008 176.552 175.510 0.057 0.000 1.024 296 N CA 0.988 54.059 53.050 0.035 0.000 0.852 296 N CB 0.008 38.512 38.487 0.028 0.000 1.003 296 N HN 0.326 nan 8.380 nan 0.000 0.424 297 N N -0.089 118.648 118.700 0.061 0.000 2.383 297 N HA -0.051 4.690 4.740 0.000 0.000 0.192 297 N C 0.655 176.214 175.510 0.081 0.000 1.141 297 N CA 0.061 53.146 53.050 0.058 0.000 0.851 297 N CB -0.120 38.388 38.487 0.034 0.000 0.976 297 N HN 0.402 nan 8.380 nan 0.000 0.465 298 Y N 1.853 122.149 120.300 -0.006 0.000 2.133 298 Y HA -0.182 4.368 4.550 0.000 0.000 0.287 298 Y C 1.547 177.477 175.900 0.051 0.000 1.134 298 Y CA 1.676 59.781 58.100 0.010 0.000 1.133 298 Y CB 0.091 38.532 38.460 -0.033 0.000 0.987 298 Y HN -0.014 nan 8.280 nan 0.000 0.502 299 D N 0.153 120.667 120.400 0.190 0.000 2.117 299 D HA -0.179 4.461 4.640 0.000 0.000 0.197 299 D C 1.636 177.983 176.300 0.078 0.000 0.987 299 D CA 1.562 55.633 54.000 0.118 0.000 0.829 299 D CB -0.458 40.397 40.800 0.091 0.000 0.961 299 D HN 0.456 nan 8.370 nan 0.000 0.460 300 D N 0.768 121.199 120.400 0.051 0.000 2.106 300 D HA -0.142 4.498 4.640 0.000 0.000 0.191 300 D C 2.387 178.694 176.300 0.011 0.000 0.997 300 D CA 0.697 54.715 54.000 0.030 0.000 0.834 300 D CB -0.535 40.279 40.800 0.023 0.000 0.956 300 D HN 0.260 nan 8.370 nan 0.000 0.448 301 L N -0.694 120.517 121.223 -0.021 0.000 2.109 301 L HA -0.055 4.285 4.340 0.000 0.000 0.207 301 L C 2.423 179.245 176.870 -0.080 0.000 1.086 301 L CA 0.436 55.240 54.840 -0.061 0.000 0.760 301 L CB -0.415 41.590 42.059 -0.091 0.000 0.910 301 L HN -0.058 nan 8.230 nan 0.000 0.437 302 F N 1.779 121.568 119.950 -0.268 0.000 2.069 302 F HA -0.258 4.269 4.527 0.000 0.000 0.298 302 F C 2.386 178.110 175.800 -0.127 0.000 1.113 302 F CA 1.704 59.539 58.000 -0.274 0.000 1.214 302 F CB -0.195 38.587 39.000 -0.363 0.000 0.978 302 F HN 0.139 nan 8.300 nan 0.000 0.474 303 N N 0.304 119.108 118.700 0.173 0.000 2.443 303 N HA -0.155 4.585 4.740 0.000 0.000 0.184 303 N C 1.417 176.929 175.510 0.004 0.000 1.037 303 N CA 1.079 54.197 53.050 0.114 0.000 0.896 303 N CB -0.353 38.203 38.487 0.116 0.000 0.959 303 N HN 0.598 nan 8.380 nan 0.000 0.442 304 Q N -0.174 119.602 119.800 -0.040 0.000 2.408 304 Q HA 0.213 4.553 4.340 0.000 0.000 0.205 304 Q C 0.251 176.200 176.000 -0.085 0.000 0.919 304 Q CA 0.022 55.796 55.803 -0.048 0.000 0.932 304 Q CB 0.746 29.461 28.738 -0.039 0.000 1.058 304 Q HN 0.342 nan 8.270 nan 0.000 0.517 305 I N 1.848 122.322 120.570 -0.159 0.000 2.588 305 I HA -0.003 4.167 4.170 0.000 0.000 0.283 305 I C 0.306 176.334 176.117 -0.148 0.000 1.119 305 I CA 0.146 61.332 61.300 -0.190 0.000 1.419 305 I CB 0.612 38.418 38.000 -0.323 0.000 1.394 305 I HN 0.057 nan 8.210 nan 0.000 0.562 306 E N 6.266 126.403 120.200 -0.104 0.000 2.165 306 E HA 0.479 4.829 4.350 0.000 0.000 0.266 306 E C -1.706 174.851 176.600 -0.071 0.000 0.889 306 E CA -0.637 55.729 56.400 -0.057 0.000 0.756 306 E CB 1.675 31.364 29.700 -0.019 0.000 1.131 306 E HN 0.360 nan 8.360 nan 0.000 0.411 307 V N 6.425 126.292 119.914 -0.078 0.000 2.384 307 V HA 0.427 4.547 4.120 0.000 0.000 0.287 307 V C -0.313 175.785 176.094 0.007 0.000 1.020 307 V CA -0.611 61.589 62.300 -0.167 0.000 0.850 307 V CB 1.130 32.597 31.823 -0.593 0.000 0.987 307 V HN 0.642 nan 8.190 nan 0.000 0.436 308 L N 3.429 124.708 121.223 0.094 0.000 2.381 308 L HA 0.592 4.932 4.340 0.000 0.000 0.268 308 L C 0.002 177.004 176.870 0.219 0.000 0.997 308 L CA -0.578 54.365 54.840 0.171 0.000 0.818 308 L CB 2.389 44.517 42.059 0.116 0.000 1.310 308 L HN 0.545 nan 8.230 nan 0.000 0.416 309 E N 2.146 122.458 120.200 0.186 0.000 2.316 309 E HA 0.393 4.744 4.350 0.000 0.000 0.275 309 E C -0.840 175.794 176.600 0.056 0.000 1.029 309 E CA -0.338 56.084 56.400 0.036 0.000 0.871 309 E CB 1.374 31.064 29.700 -0.017 0.000 1.022 309 E HN 0.448 nan 8.360 nan 0.000 0.418 310 V N 0.000 119.952 119.914 0.064 0.000 2.409 310 V HA 0.000 4.120 4.120 0.000 0.000 0.244 310 V CA 0.000 62.360 62.300 0.100 0.000 1.235 310 V CB 0.000 31.913 31.823 0.150 0.000 1.184 310 V HN 0.000 nan 8.190 nan 0.000 0.556