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 1q3g_1_D DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.325 176.300 0.042 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 D N 3.767 124.192 120.400 0.043 0.000 2.443 2 D HA 0.364 5.005 4.640 0.002 0.000 0.234 2 D C -0.337 175.972 176.300 0.014 0.000 1.172 2 D CA 0.906 54.928 54.000 0.037 0.000 0.878 2 D CB 0.713 41.531 40.800 0.029 0.000 1.204 2 D HN 0.531 nan 8.370 nan 0.000 0.453 3 K N 0.494 120.919 120.400 0.043 0.000 2.495 3 K HA 0.476 4.797 4.320 0.002 0.000 0.268 3 K C -0.915 175.818 176.600 0.222 0.000 1.008 3 K CA -0.776 55.538 56.287 0.045 0.000 0.882 3 K CB 1.955 34.493 32.500 0.064 0.000 1.443 3 K HN 0.293 nan 8.250 nan 0.000 0.447 4 F N 1.389 121.341 119.950 0.003 0.000 2.467 4 F HA 0.393 4.921 4.527 0.002 0.000 0.336 4 F C 0.211 176.008 175.800 -0.005 0.000 1.123 4 F CA -1.036 56.962 58.000 -0.003 0.000 0.964 4 F CB 1.912 40.902 39.000 -0.016 0.000 1.136 4 F HN 0.252 nan 8.300 nan 0.000 0.447 5 R N 4.140 124.726 120.500 0.144 0.000 2.255 5 R HA 0.614 4.955 4.340 0.002 0.000 0.326 5 R C -1.883 174.419 176.300 0.004 0.000 0.986 5 R CA -0.324 55.813 56.100 0.060 0.000 0.847 5 R CB 1.319 31.640 30.300 0.035 0.000 1.111 5 R HN 0.483 nan 8.270 nan 0.000 0.452 6 V N 4.527 124.447 119.914 0.010 0.000 2.540 6 V HA 0.317 4.438 4.120 0.002 0.000 0.302 6 V C -0.606 175.480 176.094 -0.013 0.000 1.035 6 V CA -0.793 61.495 62.300 -0.020 0.000 0.873 6 V CB 1.699 33.517 31.823 -0.009 0.000 0.992 6 V HN 0.771 nan 8.190 nan 0.000 0.428 7 Q N 2.028 121.814 119.800 -0.023 0.000 2.331 7 Q HA 0.731 5.072 4.340 0.002 0.000 0.267 7 Q C -0.287 175.703 176.000 -0.017 0.000 1.006 7 Q CA -0.336 55.457 55.803 -0.016 0.000 0.818 7 Q CB 2.101 30.829 28.738 -0.016 0.000 1.276 7 Q HN 0.984 nan 8.270 nan 0.000 0.450 8 G N 2.874 111.667 108.800 -0.013 0.000 2.949 8 G HA2 0.668 4.630 3.960 0.002 0.000 0.285 8 G HA3 0.668 4.630 3.960 0.002 0.000 0.285 8 G C -2.916 171.979 174.900 -0.009 0.000 1.395 8 G CA -1.223 43.870 45.100 -0.012 0.000 0.901 8 G HN 0.545 nan 8.290 nan 0.000 0.519 9 P HA 0.361 nan 4.420 nan 0.000 0.281 9 P C -0.736 176.558 177.300 -0.009 0.000 1.249 9 P CA -0.062 63.033 63.100 -0.009 0.000 0.810 9 P CB 1.599 33.295 31.700 -0.007 0.000 1.008 10 T N -0.841 113.707 114.554 -0.010 0.000 2.991 10 T HA 0.390 4.741 4.350 0.002 0.000 0.303 10 T C -0.343 174.353 174.700 -0.007 0.000 1.015 10 T CA -1.027 61.067 62.100 -0.009 0.000 1.007 10 T CB 1.191 70.052 68.868 -0.012 0.000 1.034 10 T HN 0.377 nan 8.240 nan 0.000 0.446 11 R N 3.556 124.053 120.500 -0.005 0.000 2.343 11 R HA 0.401 4.742 4.340 0.002 0.000 0.326 11 R C -0.324 175.976 176.300 -0.000 0.000 1.055 11 R CA -0.528 55.570 56.100 -0.003 0.000 0.961 11 R CB -0.096 30.203 30.300 -0.002 0.000 0.978 11 R HN 0.699 nan 8.270 nan 0.000 0.443 12 L N 6.465 127.692 121.223 0.005 0.000 2.369 12 L HA 0.192 4.533 4.340 0.002 0.000 0.279 12 L C 0.111 176.990 176.870 0.015 0.000 1.108 12 L CA 0.144 54.994 54.840 0.017 0.000 0.852 12 L CB 0.570 42.651 42.059 0.038 0.000 1.169 12 L HN 0.753 nan 8.230 nan 0.000 0.452 13 Q N 3.063 122.867 119.800 0.006 0.000 2.472 13 Q HA 0.800 5.142 4.340 0.002 0.000 0.281 13 Q C -0.419 175.572 176.000 -0.015 0.000 0.997 13 Q CA -0.406 55.395 55.803 -0.004 0.000 0.828 13 Q CB 2.801 31.533 28.738 -0.010 0.000 1.443 13 Q HN 0.647 nan 8.270 nan 0.000 0.390 14 G N 1.098 109.883 108.800 -0.024 0.000 2.204 14 G HA2 0.014 3.975 3.960 0.002 0.000 0.153 14 G HA3 0.014 3.975 3.960 0.002 0.000 0.153 14 G C -1.474 173.395 174.900 -0.052 0.000 1.295 14 G CA -0.329 44.747 45.100 -0.039 0.000 1.257 14 G HN 0.685 nan 8.290 nan 0.000 0.495 15 E N -1.455 118.702 120.200 -0.072 0.000 2.369 15 E HA 0.651 5.002 4.350 0.002 0.000 0.270 15 E C -1.519 174.994 176.600 -0.145 0.000 0.909 15 E CA -0.752 55.594 56.400 -0.090 0.000 0.775 15 E CB 3.215 32.867 29.700 -0.080 0.000 1.270 15 E HN 0.932 nan 8.360 nan 0.000 0.445 16 V N 0.916 120.724 119.914 -0.177 0.000 3.048 16 V HA 0.442 4.564 4.120 0.002 0.000 0.303 16 V C -1.514 174.472 176.094 -0.179 0.000 1.214 16 V CA -0.260 61.868 62.300 -0.286 0.000 0.984 16 V CB 2.492 33.922 31.823 -0.655 0.000 1.054 16 V HN 0.709 nan 8.190 nan 0.000 0.430 17 T N 7.413 121.880 114.554 -0.145 0.000 2.758 17 T HA 0.535 4.886 4.350 0.002 0.000 0.285 17 T C -0.181 174.495 174.700 -0.039 0.000 0.981 17 T CA -0.270 61.792 62.100 -0.063 0.000 0.965 17 T CB 0.656 69.501 68.868 -0.038 0.000 0.927 17 T HN 0.485 nan 8.240 nan 0.000 0.448 18 I N 3.135 123.708 120.570 0.005 0.000 2.588 18 I HA 0.148 4.319 4.170 0.002 0.000 0.283 18 I C 1.171 177.312 176.117 0.039 0.000 1.119 18 I CA 0.124 61.455 61.300 0.051 0.000 1.419 18 I CB 0.395 38.438 38.000 0.072 0.000 1.394 18 I HN 0.563 nan 8.210 nan 0.000 0.562 19 S N 3.883 119.616 115.700 0.054 0.000 2.681 19 S HA 0.514 4.985 4.470 0.002 0.000 0.270 19 S C 0.624 175.230 174.600 0.009 0.000 1.209 19 S CA -0.571 57.647 58.200 0.030 0.000 0.988 19 S CB 1.225 64.450 63.200 0.042 0.000 1.006 19 S HN 0.850 nan 8.310 nan 0.000 0.558 20 G N 0.173 108.968 108.800 -0.009 0.000 2.554 20 G HA2 0.439 4.401 3.960 0.002 0.000 0.238 20 G HA3 0.439 4.401 3.960 0.002 0.000 0.238 20 G C -0.067 174.819 174.900 -0.023 0.000 1.259 20 G CA -0.335 44.751 45.100 -0.023 0.000 0.843 20 G HN 0.888 nan 8.290 nan 0.000 0.582 21 A N 1.421 124.225 122.820 -0.025 0.000 2.491 21 A HA 0.261 4.582 4.320 0.002 0.000 0.261 21 A C 1.635 179.203 177.584 -0.027 0.000 1.101 21 A CA 0.303 52.322 52.037 -0.029 0.000 0.772 21 A CB 0.297 19.281 19.000 -0.026 0.000 1.043 21 A HN 0.923 nan 8.150 nan 0.000 0.501 22 K N 2.489 122.869 120.400 -0.035 0.000 2.032 22 K HA -0.170 4.151 4.320 0.002 0.000 0.209 22 K C 0.479 177.098 176.600 0.032 0.000 1.048 22 K CA 1.928 58.207 56.287 -0.013 0.000 0.927 22 K CB -0.123 32.352 32.500 -0.041 0.000 0.712 22 K HN 0.713 nan 8.250 nan 0.000 0.441 23 N N 0.101 118.822 118.700 0.035 0.000 2.434 23 N HA 0.020 4.761 4.740 0.002 0.000 0.196 23 N C 0.513 176.051 175.510 0.047 0.000 1.183 23 N CA 0.716 53.822 53.050 0.093 0.000 0.849 23 N CB 0.879 39.425 38.487 0.098 0.000 0.992 23 N HN 0.372 nan 8.380 nan 0.000 0.460 24 A N -0.178 122.640 122.820 -0.004 0.000 1.997 24 A HA 0.458 4.779 4.320 0.002 0.000 0.198 24 A C 2.094 179.626 177.584 -0.087 0.000 1.449 24 A CA 0.643 52.650 52.037 -0.051 0.000 0.908 24 A CB -0.335 18.647 19.000 -0.030 0.000 0.984 24 A HN 0.177 nan 8.150 nan 0.000 0.487 25 A N 0.406 123.191 122.820 -0.058 0.000 1.902 25 A HA -0.007 4.314 4.320 0.002 0.000 0.217 25 A C 2.108 179.652 177.584 -0.065 0.000 1.181 25 A CA 1.497 53.481 52.037 -0.087 0.000 0.623 25 A CB -0.681 18.283 19.000 -0.059 0.000 0.818 25 A HN 0.436 nan 8.150 nan 0.000 0.443 26 L N -0.030 121.221 121.223 0.046 0.000 1.976 26 L HA -0.117 4.224 4.340 0.002 0.000 0.209 26 L C -0.177 176.805 176.870 0.187 0.000 1.071 26 L CA 1.861 56.829 54.840 0.213 0.000 0.746 26 L CB -1.432 40.888 42.059 0.436 0.000 0.890 26 L HN 0.305 nan 8.230 nan 0.000 0.432 27 P HA -0.170 nan 4.420 nan 0.000 0.220 27 P C 1.791 178.919 177.300 -0.287 0.000 1.148 27 P CA 1.618 64.341 63.100 -0.629 0.000 0.803 27 P CB 0.050 31.126 31.700 -1.040 0.000 0.782 28 I N -0.752 119.652 120.570 -0.276 0.000 2.353 28 I HA -0.167 4.004 4.170 0.002 0.000 0.248 28 I C 2.625 178.516 176.117 -0.376 0.000 1.119 28 I CA 0.929 61.964 61.300 -0.441 0.000 1.417 28 I CB -0.486 37.099 38.000 -0.693 0.000 1.078 28 I HN -0.145 nan 8.210 nan 0.000 0.421 29 L N -0.374 120.700 121.223 -0.248 0.000 2.083 29 L HA -0.209 4.132 4.340 0.002 0.000 0.209 29 L C 2.406 179.177 176.870 -0.164 0.000 1.083 29 L CA 1.572 56.275 54.840 -0.227 0.000 0.752 29 L CB -0.478 41.424 42.059 -0.263 0.000 0.899 29 L HN 0.145 nan 8.230 nan 0.000 0.433 30 F N -0.438 119.507 119.950 -0.009 0.000 2.259 30 F HA -0.106 4.422 4.527 0.002 0.000 0.298 30 F C 2.542 178.384 175.800 0.070 0.000 1.088 30 F CA 0.884 58.924 58.000 0.066 0.000 1.358 30 F CB -0.428 38.650 39.000 0.129 0.000 1.040 30 F HN -0.003 nan 8.300 nan 0.000 0.505 31 A N 0.042 122.983 122.820 0.201 0.000 2.019 31 A HA -0.057 4.265 4.320 0.002 0.000 0.219 31 A C 2.334 180.089 177.584 0.285 0.000 1.164 31 A CA 1.375 53.542 52.037 0.217 0.000 0.644 31 A CB -1.098 18.052 19.000 0.251 0.000 0.805 31 A HN 0.288 nan 8.150 nan 0.000 0.449 32 A N -0.256 122.736 122.820 0.287 0.000 2.070 32 A HA -0.010 4.311 4.320 0.002 0.000 0.220 32 A C 1.945 179.641 177.584 0.187 0.000 1.159 32 A CA 1.188 53.390 52.037 0.276 0.000 0.656 32 A CB -0.576 18.533 19.000 0.181 0.000 0.800 32 A HN 0.495 nan 8.150 nan 0.000 0.453 33 L N -0.782 120.555 121.223 0.191 0.000 2.353 33 L HA -0.146 4.196 4.340 0.002 0.000 0.220 33 L C 2.024 179.032 176.870 0.229 0.000 1.133 33 L CA 0.641 55.617 54.840 0.227 0.000 0.798 33 L CB -0.310 41.915 42.059 0.277 0.000 0.922 33 L HN 0.430 nan 8.230 nan 0.000 0.445 34 L N -0.698 120.616 121.223 0.153 0.000 2.341 34 L HA 0.114 4.456 4.340 0.002 0.000 0.214 34 L C 1.379 178.265 176.870 0.027 0.000 1.115 34 L CA -0.341 54.540 54.840 0.068 0.000 0.820 34 L CB -0.329 41.745 42.059 0.025 0.000 0.944 34 L HN 0.106 nan 8.230 nan 0.000 0.452 35 A N 0.476 123.329 122.820 0.054 0.000 2.454 35 A HA 0.099 4.421 4.320 0.002 0.000 0.260 35 A C 0.991 178.605 177.584 0.051 0.000 1.106 35 A CA -0.154 51.900 52.037 0.028 0.000 0.780 35 A CB 0.209 19.239 19.000 0.051 0.000 1.044 35 A HN 0.314 nan 8.150 nan 0.000 0.498 36 E N 1.528 121.741 120.200 0.021 0.000 2.340 36 E HA -0.009 4.342 4.350 0.002 0.000 0.194 36 E C -0.001 176.625 176.600 0.044 0.000 0.996 36 E CA 0.496 56.916 56.400 0.034 0.000 0.869 36 E CB 0.355 30.058 29.700 0.005 0.000 0.835 36 E HN 0.853 nan 8.360 nan 0.000 0.493 37 E N 1.034 121.256 120.200 0.036 0.000 2.232 37 E HA 0.285 4.636 4.350 0.002 0.000 0.264 37 E C -2.596 174.044 176.600 0.067 0.000 0.973 37 E CA -2.417 54.010 56.400 0.044 0.000 0.849 37 E CB 1.050 30.768 29.700 0.030 0.000 1.198 37 E HN -0.162 nan 8.360 nan 0.000 0.407 38 P HA -0.030 nan 4.420 nan 0.000 0.265 38 P C -1.128 176.247 177.300 0.126 0.000 1.187 38 P CA 0.257 63.423 63.100 0.111 0.000 0.766 38 P CB 0.481 32.249 31.700 0.114 0.000 0.820 39 V N 2.376 122.382 119.914 0.153 0.000 2.789 39 V HA 0.422 4.543 4.120 0.002 0.000 0.311 39 V C -0.189 175.974 176.094 0.114 0.000 1.073 39 V CA -0.530 61.863 62.300 0.155 0.000 0.921 39 V CB 2.161 34.100 31.823 0.194 0.000 1.009 39 V HN 0.482 nan 8.190 nan 0.000 0.426 40 E N 3.538 123.766 120.200 0.046 0.000 2.216 40 E HA 0.538 4.889 4.350 0.002 0.000 0.260 40 E C -1.608 174.881 176.600 -0.186 0.000 0.880 40 E CA -0.544 55.726 56.400 -0.216 0.000 0.765 40 E CB 1.578 31.146 29.700 -0.220 0.000 1.174 40 E HN 0.663 nan 8.360 nan 0.000 0.417 41 I N 4.540 124.938 120.570 -0.288 0.000 2.312 41 I HA 0.180 4.351 4.170 0.002 0.000 0.290 41 I C 0.281 176.225 176.117 -0.287 0.000 1.008 41 I CA -0.501 60.670 61.300 -0.215 0.000 1.226 41 I CB 1.364 39.218 38.000 -0.245 0.000 1.371 41 I HN 0.378 nan 8.210 nan 0.000 0.468 42 Q N 4.021 123.693 119.800 -0.212 0.000 2.212 42 Q HA 0.277 4.618 4.340 0.002 0.000 0.238 42 Q C 0.380 176.289 176.000 -0.153 0.000 0.955 42 Q CA -0.707 54.970 55.803 -0.210 0.000 0.906 42 Q CB 0.702 29.340 28.738 -0.167 0.000 1.215 42 Q HN 0.584 nan 8.270 nan 0.000 0.478 43 N N -0.659 117.964 118.700 -0.128 0.000 2.735 43 N HA -0.167 4.574 4.740 0.002 0.000 0.248 43 N C -1.635 173.828 175.510 -0.079 0.000 1.083 43 N CA 0.260 53.258 53.050 -0.087 0.000 0.703 43 N CB -0.923 37.516 38.487 -0.079 0.000 1.005 43 N HN 0.332 nan 8.380 nan 0.000 0.550 44 V N 1.726 121.582 119.914 -0.097 0.000 2.432 44 V HA 0.360 4.481 4.120 0.002 0.000 0.271 44 V C -1.377 174.690 176.094 -0.046 0.000 1.046 44 V CA -1.048 61.203 62.300 -0.082 0.000 0.945 44 V CB 1.076 32.834 31.823 -0.109 0.000 0.992 44 V HN 0.210 nan 8.190 nan 0.000 0.471 45 P HA 0.149 nan 4.420 nan 0.000 0.272 45 P C -0.761 176.541 177.300 0.004 0.000 1.223 45 P CA -0.441 62.656 63.100 -0.005 0.000 0.784 45 P CB 0.868 32.566 31.700 -0.003 0.000 0.923 46 K N 2.643 123.057 120.400 0.022 0.000 2.206 46 K HA 0.386 4.707 4.320 0.002 0.000 0.268 46 K C -0.168 176.457 176.600 0.041 0.000 1.111 46 K CA -0.197 56.108 56.287 0.030 0.000 0.955 46 K CB -0.097 32.427 32.500 0.039 0.000 1.406 46 K HN 0.422 nan 8.250 nan 0.000 0.427 47 L N 1.104 122.347 121.223 0.033 0.000 2.333 47 L HA 0.363 4.704 4.340 0.002 0.000 0.263 47 L C 1.401 178.294 176.870 0.039 0.000 1.014 47 L CA -1.084 53.781 54.840 0.042 0.000 0.820 47 L CB 1.268 43.346 42.059 0.032 0.000 1.352 47 L HN 0.279 nan 8.230 nan 0.000 0.421 48 K N 0.698 121.126 120.400 0.046 0.000 2.063 48 K HA -0.167 4.154 4.320 0.002 0.000 0.208 48 K C 1.072 177.693 176.600 0.035 0.000 1.048 48 K CA 1.723 58.032 56.287 0.038 0.000 0.928 48 K CB 0.078 32.605 32.500 0.045 0.000 0.713 48 K HN 0.618 nan 8.250 nan 0.000 0.442 49 D N 0.604 121.030 120.400 0.044 0.000 2.178 49 D HA -0.124 4.518 4.640 0.002 0.000 0.202 49 D C 1.841 178.171 176.300 0.051 0.000 0.974 49 D CA 0.552 54.586 54.000 0.056 0.000 0.841 49 D CB 0.044 40.887 40.800 0.072 0.000 0.953 49 D HN 0.161 nan 8.370 nan 0.000 0.478 50 I N 1.349 121.938 120.570 0.031 0.000 2.353 50 I HA -0.165 4.006 4.170 0.002 0.000 0.248 50 I C 1.662 177.777 176.117 -0.004 0.000 1.119 50 I CA 1.033 62.337 61.300 0.007 0.000 1.417 50 I CB -0.734 37.264 38.000 -0.003 0.000 1.078 50 I HN -0.054 nan 8.210 nan 0.000 0.421 51 D N 0.662 121.066 120.400 0.008 0.000 2.097 51 D HA -0.127 4.514 4.640 0.002 0.000 0.197 51 D C 2.137 178.438 176.300 0.001 0.000 0.984 51 D CA 1.584 55.586 54.000 0.004 0.000 0.826 51 D CB -0.290 40.516 40.800 0.010 0.000 0.973 51 D HN 0.238 nan 8.370 nan 0.000 0.460 52 T N 0.510 115.071 114.554 0.012 0.000 2.788 52 T HA -0.111 4.240 4.350 0.002 0.000 0.268 52 T C 2.020 176.732 174.700 0.021 0.000 1.044 52 T CA 1.612 63.724 62.100 0.019 0.000 1.139 52 T CB -0.435 68.453 68.868 0.033 0.000 0.867 52 T HN 0.148 nan 8.240 nan 0.000 0.454 53 T N 2.096 116.654 114.554 0.006 0.000 2.708 53 T HA 0.007 4.358 4.350 0.002 0.000 0.266 53 T C 2.059 176.673 174.700 -0.143 0.000 1.037 53 T CA 1.111 63.157 62.100 -0.092 0.000 1.146 53 T CB -0.342 68.423 68.868 -0.172 0.000 0.865 53 T HN 0.317 nan 8.240 nan 0.000 0.435 54 M N 0.615 120.160 119.600 -0.091 0.000 2.117 54 M HA -0.096 4.385 4.480 0.002 0.000 0.262 54 M C 2.425 178.699 176.300 -0.043 0.000 1.065 54 M CA 1.512 56.770 55.300 -0.069 0.000 1.114 54 M CB -0.304 32.276 32.600 -0.034 0.000 1.361 54 M HN 0.119 nan 8.290 nan 0.000 0.408 55 K N 0.932 121.318 120.400 -0.025 0.000 2.009 55 K HA -0.187 4.134 4.320 0.002 0.000 0.210 55 K C 1.939 178.534 176.600 -0.009 0.000 1.049 55 K CA 1.363 57.643 56.287 -0.011 0.000 0.929 55 K CB -0.269 32.229 32.500 -0.002 0.000 0.714 55 K HN 0.299 nan 8.250 nan 0.000 0.440 56 L N 1.209 122.433 121.223 0.002 0.000 2.012 56 L HA -0.218 4.123 4.340 0.002 0.000 0.210 56 L C 2.254 179.126 176.870 0.003 0.000 1.073 56 L CA 1.267 56.126 54.840 0.030 0.000 0.748 56 L CB -0.241 41.879 42.059 0.101 0.000 0.891 56 L HN 0.297 nan 8.230 nan 0.000 0.431 57 L N -0.762 120.431 121.223 -0.049 0.000 2.012 57 L HA -0.265 4.076 4.340 0.002 0.000 0.210 57 L C 2.523 179.372 176.870 -0.036 0.000 1.073 57 L CA 2.017 56.824 54.840 -0.054 0.000 0.748 57 L CB -0.996 41.002 42.059 -0.103 0.000 0.891 57 L HN 0.306 nan 8.230 nan 0.000 0.431 58 T N -1.250 113.284 114.554 -0.032 0.000 2.759 58 T HA -0.251 4.100 4.350 0.002 0.000 0.269 58 T C 1.862 176.540 174.700 -0.038 0.000 1.042 58 T CA 1.154 63.238 62.100 -0.027 0.000 1.140 58 T CB -0.187 68.670 68.868 -0.018 0.000 0.864 58 T HN 0.303 nan 8.240 nan 0.000 0.455 59 Q N 0.465 120.245 119.800 -0.033 0.000 2.437 59 Q HA 0.045 4.386 4.340 0.002 0.000 0.210 59 Q C 1.700 177.656 176.000 -0.073 0.000 0.972 59 Q CA 0.787 56.566 55.803 -0.039 0.000 0.903 59 Q CB -0.179 28.551 28.738 -0.014 0.000 0.967 59 Q HN 0.517 nan 8.270 nan 0.000 0.486 60 L N -1.349 119.824 121.223 -0.084 0.000 2.607 60 L HA 0.221 4.562 4.340 0.002 0.000 0.228 60 L C 1.026 177.772 176.870 -0.205 0.000 1.123 60 L CA 0.543 55.288 54.840 -0.158 0.000 0.890 60 L CB 0.379 42.375 42.059 -0.104 0.000 1.103 60 L HN 0.335 nan 8.230 nan 0.000 0.468 61 G N 0.341 109.064 108.800 -0.129 0.000 2.131 61 G HA2 -0.203 3.758 3.960 0.002 0.000 0.201 61 G HA3 -0.203 3.758 3.960 0.002 0.000 0.201 61 G C 0.119 174.983 174.900 -0.060 0.000 1.000 61 G CA -0.055 44.979 45.100 -0.111 0.000 0.680 61 G HN 0.203 nan 8.290 nan 0.000 0.514 62 T N 0.603 115.134 114.554 -0.038 0.000 2.928 62 T HA 0.554 4.905 4.350 0.002 0.000 0.284 62 T C 0.281 174.984 174.700 0.005 0.000 1.008 62 T CA -0.229 61.870 62.100 -0.002 0.000 1.057 62 T CB 1.540 70.411 68.868 0.004 0.000 1.018 62 T HN 0.270 nan 8.240 nan 0.000 0.493 63 K N 2.098 122.513 120.400 0.026 0.000 2.281 63 K HA 0.598 4.919 4.320 0.002 0.000 0.272 63 K C -1.069 175.561 176.600 0.050 0.000 1.048 63 K CA -0.516 55.789 56.287 0.030 0.000 0.898 63 K CB 1.053 33.574 32.500 0.035 0.000 1.128 63 K HN 0.258 nan 8.250 nan 0.000 0.460 64 V N 2.821 122.761 119.914 0.043 0.000 2.876 64 V HA 0.471 4.592 4.120 0.002 0.000 0.312 64 V C -0.668 175.473 176.094 0.078 0.000 1.085 64 V CA -0.887 61.450 62.300 0.063 0.000 0.945 64 V CB 1.927 33.765 31.823 0.025 0.000 1.017 64 V HN 0.912 nan 8.190 nan 0.000 0.428 65 E N 3.288 123.570 120.200 0.137 0.000 2.396 65 E HA 0.764 5.115 4.350 0.002 0.000 0.280 65 E C -1.214 175.553 176.600 0.278 0.000 1.065 65 E CA -1.330 55.160 56.400 0.151 0.000 0.831 65 E CB 2.481 32.241 29.700 0.100 0.000 1.272 65 E HN 0.756 nan 8.360 nan 0.000 0.443 66 R N -0.033 120.614 120.500 0.246 0.000 2.870 66 R HA 0.460 4.801 4.340 0.002 0.000 0.262 66 R C -0.700 175.775 176.300 0.291 0.000 1.112 66 R CA -0.442 55.840 56.100 0.304 0.000 0.976 66 R CB 0.383 30.756 30.300 0.121 0.000 1.261 66 R HN 0.555 nan 8.270 nan 0.000 0.453 67 D N 0.098 120.661 120.400 0.270 0.000 2.256 67 D HA 0.083 4.725 4.640 0.002 0.000 0.279 67 D C 1.409 177.774 176.300 0.108 0.000 1.209 67 D CA 0.871 54.992 54.000 0.203 0.000 0.946 67 D CB -1.016 39.914 40.800 0.217 0.000 0.914 67 D HN 0.612 nan 8.370 nan 0.000 0.278 68 G N -1.095 107.745 108.800 0.067 0.000 2.744 68 G HA2 0.184 4.145 3.960 0.002 0.000 0.211 68 G HA3 0.184 4.145 3.960 0.002 0.000 0.211 68 G C 0.449 175.278 174.900 -0.118 0.000 1.146 68 G CA 0.186 45.278 45.100 -0.014 0.000 0.787 68 G HN 0.355 nan 8.290 nan 0.000 0.534 69 S N -1.184 114.365 115.700 -0.251 0.000 2.704 69 S HA 0.664 5.136 4.470 0.002 0.000 0.305 69 S C -0.873 173.386 174.600 -0.567 0.000 1.107 69 S CA -0.492 57.364 58.200 -0.573 0.000 0.993 69 S CB 2.452 64.999 63.200 -1.088 0.000 1.110 69 S HN -0.056 nan 8.310 nan 0.000 0.534 70 V N 1.875 121.458 119.914 -0.551 0.000 2.407 70 V HA 0.356 4.478 4.120 0.002 0.000 0.291 70 V C -1.056 174.854 176.094 -0.308 0.000 1.018 70 V CA -0.615 61.533 62.300 -0.253 0.000 0.842 70 V CB 1.121 32.855 31.823 -0.148 0.000 0.996 70 V HN 0.779 nan 8.190 nan 0.000 0.426 71 W N 5.488 126.788 121.300 0.001 0.000 2.361 71 W HA 0.576 5.237 4.660 0.002 0.000 0.309 71 W C -0.724 175.801 176.519 0.011 0.000 1.122 71 W CA -0.573 56.780 57.345 0.013 0.000 1.208 71 W CB 1.636 31.104 29.460 0.014 0.000 1.246 71 W HN 0.299 nan 8.180 nan 0.000 0.490 72 I N 3.108 123.789 120.570 0.186 0.000 2.509 72 I HA 0.162 4.333 4.170 0.002 0.000 0.293 72 I C -0.551 175.646 176.117 0.133 0.000 1.020 72 I CA -0.594 60.781 61.300 0.126 0.000 1.088 72 I CB 1.912 39.958 38.000 0.076 0.000 1.267 72 I HN 0.284 nan 8.210 nan 0.000 0.430 73 D N 4.962 125.425 120.400 0.106 0.000 2.358 73 D HA 0.510 5.151 4.640 0.002 0.000 0.253 73 D C -0.074 176.277 176.300 0.085 0.000 1.288 73 D CA -0.270 53.787 54.000 0.095 0.000 0.950 73 D CB 1.492 42.342 40.800 0.082 0.000 1.197 73 D HN 0.595 nan 8.370 nan 0.000 0.550 74 A N 2.502 125.383 122.820 0.102 0.000 2.577 74 A HA 0.189 4.510 4.320 0.002 0.000 0.280 74 A C 1.776 179.451 177.584 0.151 0.000 1.331 74 A CA 0.364 52.474 52.037 0.122 0.000 0.935 74 A CB -0.279 18.811 19.000 0.151 0.000 1.082 74 A HN 0.458 nan 8.150 nan 0.000 0.525 75 S N 0.060 115.829 115.700 0.115 0.000 2.383 75 S HA -0.172 4.299 4.470 0.002 0.000 0.229 75 S C 0.889 175.574 174.600 0.142 0.000 1.030 75 S CA 1.518 59.787 58.200 0.114 0.000 1.002 75 S CB -0.442 62.805 63.200 0.079 0.000 0.829 75 S HN 0.673 nan 8.310 nan 0.000 0.467 76 N N 0.771 119.540 118.700 0.114 0.000 2.818 76 N HA 0.319 5.060 4.740 0.002 0.000 0.301 76 N C -1.243 174.296 175.510 0.049 0.000 1.821 76 N CA -0.341 52.771 53.050 0.103 0.000 0.930 76 N CB 0.909 39.432 38.487 0.060 0.000 1.263 76 N HN 0.084 nan 8.380 nan 0.000 0.487 77 V N 2.815 122.771 119.914 0.069 0.000 2.529 77 V HA 0.001 4.122 4.120 0.002 0.000 0.292 77 V C 0.990 176.884 176.094 -0.333 0.000 1.028 77 V CA 0.431 62.631 62.300 -0.167 0.000 1.074 77 V CB 0.570 32.225 31.823 -0.281 0.000 0.958 77 V HN 0.709 nan 8.190 nan 0.000 0.481 78 N N 2.731 121.178 118.700 -0.421 0.000 2.241 78 N HA 0.206 4.947 4.740 0.002 0.000 0.238 78 N C -0.135 174.935 175.510 -0.735 0.000 1.244 78 N CA -0.517 52.265 53.050 -0.447 0.000 0.880 78 N CB 0.487 38.860 38.487 -0.190 0.000 1.179 78 N HN 0.595 nan 8.380 nan 0.000 0.513 79 N N 0.040 118.053 118.700 -1.145 0.000 2.396 79 N HA 0.351 5.092 4.740 0.002 0.000 0.275 79 N C -1.818 172.914 175.510 -1.298 0.000 1.218 79 N CA -0.699 51.759 53.050 -0.987 0.000 0.812 79 N CB 1.225 39.453 38.487 -0.432 0.000 1.592 79 N HN 0.083 nan 8.380 nan 0.000 0.480 80 F N -0.225 119.666 119.950 -0.099 0.000 2.777 80 F HA 0.426 4.954 4.527 0.002 0.000 0.361 80 F C 0.409 176.204 175.800 -0.007 0.000 1.254 80 F CA -0.518 57.441 58.000 -0.069 0.000 1.181 80 F CB 0.525 39.484 39.000 -0.069 0.000 1.082 80 F HN 0.281 nan 8.300 nan 0.000 0.510 81 S N 1.192 116.927 115.700 0.059 0.000 2.500 81 S HA 0.854 5.325 4.470 0.002 0.000 0.301 81 S C -0.538 174.121 174.600 0.100 0.000 1.092 81 S CA -0.383 57.862 58.200 0.076 0.000 1.030 81 S CB 1.352 64.550 63.200 -0.003 0.000 1.031 81 S HN 0.215 nan 8.310 nan 0.000 0.483 82 A N 6.134 129.057 122.820 0.172 0.000 2.508 82 A HA 0.610 4.932 4.320 0.002 0.000 0.336 82 A C -2.582 175.158 177.584 0.260 0.000 1.360 82 A CA -1.751 50.394 52.037 0.180 0.000 0.841 82 A CB 0.194 19.297 19.000 0.171 0.000 1.136 82 A HN 0.660 nan 8.150 nan 0.000 0.489 83 P HA -0.157 nan 4.420 nan 0.000 0.265 83 P C 0.371 177.829 177.300 0.263 0.000 1.187 83 P CA 0.353 63.639 63.100 0.309 0.000 0.766 83 P CB 0.578 32.382 31.700 0.172 0.000 0.820 84 Y N 4.111 124.519 120.300 0.180 0.000 2.081 84 Y HA -0.295 4.256 4.550 0.001 0.000 0.280 84 Y C 1.987 177.890 175.900 0.005 0.000 1.163 84 Y CA 2.678 60.773 58.100 -0.008 0.000 1.135 84 Y CB -0.850 37.588 38.460 -0.038 0.000 0.970 84 Y HN 0.386 nan 8.280 nan 0.000 0.498 85 D N -0.178 120.239 120.400 0.029 0.000 2.354 85 D HA -0.219 4.422 4.640 0.002 0.000 0.216 85 D C 2.034 178.260 176.300 -0.122 0.000 0.970 85 D CA 1.206 55.150 54.000 -0.093 0.000 0.905 85 D CB -0.465 40.362 40.800 0.046 0.000 0.903 85 D HN 0.507 nan 8.370 nan 0.000 0.508 86 L N 0.487 121.663 121.223 -0.078 0.000 2.349 86 L HA -0.025 4.316 4.340 0.002 0.000 0.200 86 L C 2.438 179.260 176.870 -0.080 0.000 1.064 86 L CA 0.270 55.081 54.840 -0.048 0.000 0.821 86 L CB 0.156 42.226 42.059 0.020 0.000 1.027 86 L HN -0.034 nan 8.230 nan 0.000 0.476 87 V N -0.646 119.210 119.914 -0.097 0.000 2.809 87 V HA -0.199 3.922 4.120 0.002 0.000 0.256 87 V C 2.217 178.193 176.094 -0.196 0.000 1.080 87 V CA 1.731 63.965 62.300 -0.111 0.000 1.102 87 V CB -0.857 30.912 31.823 -0.089 0.000 0.705 87 V HN 0.614 nan 8.190 nan 0.000 0.475 88 K N 1.660 121.855 120.400 -0.342 0.000 2.442 88 K HA -0.088 4.233 4.320 0.002 0.000 0.198 88 K C 1.711 178.180 176.600 -0.217 0.000 1.042 88 K CA 1.669 57.726 56.287 -0.383 0.000 0.958 88 K CB -0.646 31.440 32.500 -0.690 0.000 0.766 88 K HN 0.663 nan 8.250 nan 0.000 0.474 89 T N -2.276 112.181 114.554 -0.162 0.000 3.022 89 T HA 0.207 4.558 4.350 0.002 0.000 0.250 89 T C 0.545 175.209 174.700 -0.060 0.000 1.060 89 T CA -0.439 61.601 62.100 -0.100 0.000 1.013 89 T CB 0.068 68.884 68.868 -0.087 0.000 0.982 89 T HN 0.257 nan 8.240 nan 0.000 0.508 90 M N 2.157 121.717 119.600 -0.066 0.000 2.380 90 M HA 0.331 4.812 4.480 0.002 0.000 0.202 90 M C 0.436 176.686 176.300 -0.083 0.000 0.975 90 M CA -0.599 54.676 55.300 -0.042 0.000 0.971 90 M CB 1.262 33.873 32.600 0.019 0.000 2.685 90 M HN 0.161 nan 8.290 nan 0.000 0.431 91 R N 1.903 122.326 120.500 -0.129 0.000 2.241 91 R HA 0.053 4.394 4.340 0.002 0.000 0.224 91 R C 1.132 177.250 176.300 -0.305 0.000 1.101 91 R CA 1.527 57.510 56.100 -0.195 0.000 0.995 91 R CB -0.422 29.762 30.300 -0.192 0.000 0.870 91 R HN 0.621 nan 8.270 nan 0.000 0.463 92 A N 1.608 124.254 122.820 -0.290 0.000 2.172 92 A HA -0.086 4.235 4.320 0.002 0.000 0.216 92 A C 2.041 179.339 177.584 -0.477 0.000 1.154 92 A CA 1.129 52.877 52.037 -0.482 0.000 0.701 92 A CB -0.431 18.451 19.000 -0.196 0.000 0.789 92 A HN 0.565 nan 8.150 nan 0.000 0.465 93 S N -0.265 115.286 115.700 -0.248 0.000 2.547 93 S HA -0.093 4.378 4.470 0.002 0.000 0.235 93 S C 1.515 175.906 174.600 -0.349 0.000 0.980 93 S CA 0.894 58.966 58.200 -0.213 0.000 0.941 93 S CB -0.546 62.709 63.200 0.090 0.000 0.763 93 S HN 0.465 nan 8.310 nan 0.000 0.532 94 I N 0.955 121.285 120.570 -0.400 0.000 2.567 94 I HA -0.007 4.164 4.170 0.002 0.000 0.257 94 I C 1.417 177.388 176.117 -0.244 0.000 1.184 94 I CA 0.615 61.716 61.300 -0.332 0.000 1.451 94 I CB -0.578 37.127 38.000 -0.490 0.000 1.089 94 I HN 0.340 nan 8.210 nan 0.000 0.441 95 W N 0.567 121.555 121.300 -0.519 0.000 2.848 95 W HA 0.094 4.756 4.660 0.003 0.000 0.241 95 W C 2.259 178.587 176.519 -0.318 0.000 1.289 95 W CA 0.701 57.778 57.345 -0.447 0.000 1.396 95 W CB -1.113 27.991 29.460 -0.594 0.000 1.138 95 W HN 0.317 nan 8.180 nan 0.000 0.677 96 A N -0.473 122.305 122.820 -0.069 0.000 1.975 96 A HA -0.048 4.273 4.320 0.002 0.000 0.215 96 A C 1.939 179.655 177.584 0.218 0.000 1.170 96 A CA 0.633 52.824 52.037 0.256 0.000 0.656 96 A CB -0.590 18.624 19.000 0.356 0.000 0.821 96 A HN 0.116 nan 8.150 nan 0.000 0.449 97 L N 0.447 121.760 121.223 0.150 0.000 1.990 97 L HA -0.122 4.219 4.340 0.002 0.000 0.213 97 L C 2.428 179.395 176.870 0.162 0.000 1.072 97 L CA 2.444 57.373 54.840 0.148 0.000 0.755 97 L CB -1.074 41.051 42.059 0.110 0.000 0.889 97 L HN 0.327 nan 8.230 nan 0.000 0.432 98 G N -0.810 108.094 108.800 0.172 0.000 2.514 98 G HA2 -0.239 3.722 3.960 0.002 0.000 0.217 98 G HA3 -0.239 3.722 3.960 0.002 0.000 0.217 98 G C -0.612 174.376 174.900 0.147 0.000 1.198 98 G CA 1.035 46.226 45.100 0.152 0.000 0.780 98 G HN 0.385 nan 8.290 nan 0.000 0.565 99 P HA -0.038 nan 4.420 nan 0.000 0.215 99 P C 2.144 179.589 177.300 0.240 0.000 1.153 99 P CA 0.716 63.928 63.100 0.187 0.000 0.853 99 P CB -0.126 31.712 31.700 0.230 0.000 0.788 100 L N -1.136 120.266 121.223 0.298 0.000 2.012 100 L HA -0.161 4.180 4.340 0.002 0.000 0.210 100 L C 2.470 179.509 176.870 0.282 0.000 1.073 100 L CA 1.442 56.518 54.840 0.394 0.000 0.748 100 L CB -1.194 41.066 42.059 0.334 0.000 0.891 100 L HN -0.094 nan 8.230 nan 0.000 0.431 101 V N -0.239 119.773 119.914 0.164 0.000 2.427 101 V HA -0.206 3.915 4.120 0.002 0.000 0.248 101 V C 2.569 178.693 176.094 0.050 0.000 1.051 101 V CA 1.706 64.057 62.300 0.085 0.000 1.048 101 V CB 0.026 31.889 31.823 0.068 0.000 0.666 101 V HN 0.446 nan 8.190 nan 0.000 0.456 102 A N -0.339 122.513 122.820 0.055 0.000 1.929 102 A HA -0.169 4.152 4.320 0.002 0.000 0.216 102 A C 2.391 179.944 177.584 -0.052 0.000 1.176 102 A CA 1.843 53.883 52.037 0.005 0.000 0.628 102 A CB -0.428 18.581 19.000 0.014 0.000 0.816 102 A HN 0.548 nan 8.150 nan 0.000 0.444 103 R N -2.270 118.184 120.500 -0.076 0.000 2.146 103 R HA 0.156 4.497 4.340 0.002 0.000 0.206 103 R C 0.570 176.554 176.300 -0.527 0.000 1.049 103 R CA 0.733 56.635 56.100 -0.329 0.000 1.029 103 R CB 0.022 30.040 30.300 -0.470 0.000 0.949 103 R HN 0.444 nan 8.270 nan 0.000 0.471 104 F N -0.419 119.502 119.950 -0.050 0.000 2.653 104 F HA 0.400 4.928 4.527 0.002 0.000 0.304 104 F C 1.308 176.964 175.800 -0.241 0.000 1.092 104 F CA 0.343 58.241 58.000 -0.169 0.000 1.279 104 F CB 1.326 40.135 39.000 -0.317 0.000 1.044 104 F HN 0.269 nan 8.300 nan 0.000 0.564 105 G N 1.041 109.824 108.800 -0.028 0.000 2.189 105 G HA2 -0.287 3.674 3.960 0.002 0.000 0.267 105 G HA3 -0.287 3.674 3.960 0.002 0.000 0.267 105 G C 0.124 174.983 174.900 -0.068 0.000 0.975 105 G CA 0.705 45.774 45.100 -0.051 0.000 0.644 105 G HN 0.534 nan 8.290 nan 0.000 0.537 106 Q N -1.879 117.860 119.800 -0.101 0.000 2.575 106 Q HA 0.668 5.009 4.340 0.002 0.000 0.290 106 Q C -0.462 175.518 176.000 -0.034 0.000 0.963 106 Q CA -0.542 55.201 55.803 -0.100 0.000 0.783 106 Q CB 1.745 30.370 28.738 -0.188 0.000 1.467 106 Q HN 1.685 nan 8.270 nan 0.000 0.402 107 G N 1.420 110.250 108.800 0.049 0.000 2.443 107 G HA2 0.412 4.374 3.960 0.002 0.000 0.303 107 G HA3 0.412 4.374 3.960 0.002 0.000 0.303 107 G C -2.197 172.782 174.900 0.132 0.000 1.613 107 G CA -0.638 44.547 45.100 0.142 0.000 0.879 107 G HN 0.672 nan 8.290 nan 0.000 0.632 108 Q N 0.756 120.651 119.800 0.159 0.000 2.269 108 Q HA 0.618 4.959 4.340 0.002 0.000 0.263 108 Q C -1.486 174.655 176.000 0.233 0.000 0.983 108 Q CA -0.905 55.000 55.803 0.170 0.000 0.777 108 Q CB 2.049 30.861 28.738 0.123 0.000 1.273 108 Q HN 0.579 nan 8.270 nan 0.000 0.440 109 V N 1.306 121.357 119.914 0.228 0.000 2.555 109 V HA 0.409 4.530 4.120 0.002 0.000 0.302 109 V C 0.302 176.489 176.094 0.156 0.000 1.038 109 V CA -0.781 61.639 62.300 0.200 0.000 0.887 109 V CB 1.854 33.728 31.823 0.085 0.000 0.991 109 V HN 0.883 nan 8.190 nan 0.000 0.434 110 S N 4.121 119.849 115.700 0.047 0.000 2.537 110 S HA 0.197 4.668 4.470 0.002 0.000 0.286 110 S C -0.083 174.423 174.600 -0.157 0.000 1.299 110 S CA -0.402 57.599 58.200 -0.331 0.000 1.067 110 S CB -0.031 62.987 63.200 -0.304 0.000 0.864 110 S HN 0.641 nan 8.310 nan 0.000 0.494 111 L N 8.081 129.208 121.223 -0.160 0.000 2.562 111 L HA 0.235 4.576 4.340 0.002 0.000 0.271 111 L C -1.684 175.142 176.870 -0.074 0.000 1.167 111 L CA -1.474 53.311 54.840 -0.092 0.000 0.917 111 L CB 0.493 42.510 42.059 -0.070 0.000 1.187 111 L HN 0.586 nan 8.230 nan 0.000 0.482 112 P HA 0.094 nan 4.420 nan 0.000 0.268 112 P C -0.008 177.262 177.300 -0.050 0.000 1.205 112 P CA -0.219 62.831 63.100 -0.084 0.000 0.771 112 P CB 0.991 32.613 31.700 -0.130 0.000 0.858 113 G N 1.977 110.764 108.800 -0.023 0.000 2.504 113 G HA2 0.468 4.429 3.960 0.002 0.000 0.257 113 G HA3 0.468 4.429 3.960 0.002 0.000 0.257 113 G C 0.234 175.122 174.900 -0.021 0.000 1.451 113 G CA -0.425 44.672 45.100 -0.005 0.000 1.059 113 G HN 0.618 nan 8.290 nan 0.000 0.550 114 G N -2.092 106.702 108.800 -0.010 0.000 2.569 114 G HA2 0.401 4.362 3.960 0.002 0.000 0.249 114 G HA3 0.401 4.362 3.960 0.002 0.000 0.249 114 G C -0.303 174.583 174.900 -0.022 0.000 1.216 114 G CA 0.132 45.225 45.100 -0.013 0.000 0.845 114 G HN 0.711 nan 8.290 nan 0.000 0.568 115 C N 0.350 119.633 119.300 -0.029 0.000 2.630 115 C HA 0.721 5.182 4.460 0.002 0.000 0.346 115 C C 1.980 176.944 174.990 -0.044 0.000 1.245 115 C CA 0.257 59.247 59.018 -0.047 0.000 1.804 115 C CB 1.210 28.899 27.740 -0.084 0.000 2.279 115 C HN 1.029 nan 8.230 nan 0.000 0.498 116 A N 1.581 124.369 122.820 -0.053 0.000 1.877 116 A HA -0.079 4.242 4.320 0.002 0.000 0.216 116 A C 1.725 179.267 177.584 -0.070 0.000 1.186 116 A CA 2.126 54.132 52.037 -0.051 0.000 0.620 116 A CB -0.751 18.214 19.000 -0.058 0.000 0.822 116 A HN 1.095 nan 8.150 nan 0.000 0.443 117 I N -4.061 116.430 120.570 -0.132 0.000 3.564 117 I HA 0.452 4.623 4.170 0.002 0.000 0.294 117 I C 0.732 176.817 176.117 -0.053 0.000 1.289 117 I CA 0.468 61.680 61.300 -0.147 0.000 1.325 117 I CB -0.386 37.417 38.000 -0.328 0.000 1.039 117 I HN 0.299 nan 8.210 nan 0.000 0.474 118 G N -0.118 108.672 108.800 -0.016 0.000 2.340 118 G HA2 0.417 4.378 3.960 0.002 0.000 0.298 118 G HA3 0.417 4.378 3.960 0.002 0.000 0.298 118 G C 0.022 174.953 174.900 0.052 0.000 1.498 118 G CA -0.282 44.865 45.100 0.079 0.000 0.847 118 G HN 0.035 nan 8.290 nan 0.000 0.594 119 A N 0.047 122.897 122.820 0.050 0.000 2.067 119 A HA 0.239 4.560 4.320 0.002 0.000 0.219 119 A C 1.543 179.144 177.584 0.029 0.000 1.158 119 A CA 1.546 53.598 52.037 0.025 0.000 0.661 119 A CB -0.524 18.485 19.000 0.016 0.000 0.801 119 A HN 1.331 nan 8.150 nan 0.000 0.452 120 R N -0.898 119.646 120.500 0.073 0.000 2.965 120 R HA -0.132 4.209 4.340 0.002 0.000 0.245 120 R C -2.279 174.032 176.300 0.019 0.000 0.861 120 R CA 0.422 56.571 56.100 0.081 0.000 0.614 120 R CB -1.867 28.482 30.300 0.083 0.000 1.229 120 R HN 0.537 nan 8.270 nan 0.000 0.503 121 P HA 0.015 nan 4.420 nan 0.000 0.272 121 P C 0.184 177.489 177.300 0.008 0.000 1.240 121 P CA -0.228 62.873 63.100 0.002 0.000 0.791 121 P CB 1.028 32.732 31.700 0.007 0.000 0.978 122 V N 0.876 120.788 119.914 -0.003 0.000 3.070 122 V HA -0.012 4.110 4.120 0.002 0.000 0.345 122 V C 1.656 177.827 176.094 0.128 0.000 1.403 122 V CA 0.180 62.487 62.300 0.010 0.000 1.155 122 V CB -0.589 31.109 31.823 -0.209 0.000 1.140 122 V HN 0.616 nan 8.190 nan 0.000 0.505 123 D N 0.435 120.893 120.400 0.097 0.000 2.133 123 D HA -0.278 4.363 4.640 0.002 0.000 0.195 123 D C 1.781 178.180 176.300 0.165 0.000 0.997 123 D CA 1.609 55.672 54.000 0.105 0.000 0.840 123 D CB -0.141 40.688 40.800 0.048 0.000 0.947 123 D HN 0.509 nan 8.370 nan 0.000 0.452 124 L N -0.020 121.294 121.223 0.151 0.000 2.131 124 L HA -0.131 4.210 4.340 0.002 0.000 0.210 124 L C 2.845 179.839 176.870 0.207 0.000 1.092 124 L CA 0.961 55.893 54.840 0.153 0.000 0.759 124 L CB -0.679 41.406 42.059 0.043 0.000 0.903 124 L HN 0.137 nan 8.230 nan 0.000 0.435 125 H N 0.086 119.227 119.070 0.117 0.000 2.293 125 H HA -0.136 4.422 4.556 0.002 0.000 0.300 125 H C 2.457 177.850 175.328 0.109 0.000 1.082 125 H CA 1.881 57.994 56.048 0.109 0.000 1.308 125 H CB 0.042 29.843 29.762 0.066 0.000 1.375 125 H HN 0.326 nan 8.280 nan 0.000 0.495 126 I N 0.346 121.065 120.570 0.249 0.000 2.179 126 I HA -0.284 3.887 4.170 0.002 0.000 0.242 126 I C 2.568 178.775 176.117 0.151 0.000 1.088 126 I CA 1.110 62.508 61.300 0.162 0.000 1.357 126 I CB -0.379 37.700 38.000 0.132 0.000 1.051 126 I HN 0.080 nan 8.210 nan 0.000 0.409 127 F N 1.943 121.924 119.950 0.050 0.000 2.126 127 F HA -0.182 4.346 4.527 0.002 0.000 0.299 127 F C 2.268 178.082 175.800 0.024 0.000 1.096 127 F CA 1.799 59.817 58.000 0.029 0.000 1.255 127 F CB -0.841 38.169 39.000 0.018 0.000 0.997 127 F HN -0.008 nan 8.300 nan 0.000 0.479 128 G N 0.939 109.750 108.800 0.019 0.000 2.421 128 G HA2 -0.216 3.746 3.960 0.002 0.000 0.216 128 G HA3 -0.216 3.746 3.960 0.002 0.000 0.216 128 G C 1.774 176.599 174.900 -0.125 0.000 1.171 128 G CA 1.096 46.134 45.100 -0.103 0.000 0.775 128 G HN 0.450 nan 8.290 nan 0.000 0.543 129 L N 0.080 121.285 121.223 -0.031 0.000 2.046 129 L HA -0.077 4.264 4.340 0.002 0.000 0.208 129 L C 2.891 179.723 176.870 -0.064 0.000 1.077 129 L CA 1.284 56.113 54.840 -0.018 0.000 0.747 129 L CB -0.462 41.619 42.059 0.037 0.000 0.896 129 L HN 0.310 nan 8.230 nan 0.000 0.432 130 E N -0.046 120.098 120.200 -0.093 0.000 2.110 130 E HA -0.201 4.150 4.350 0.002 0.000 0.193 130 E C 2.125 178.623 176.600 -0.170 0.000 0.988 130 E CA 0.849 57.184 56.400 -0.109 0.000 0.804 130 E CB 0.080 29.723 29.700 -0.095 0.000 0.745 130 E HN 0.304 nan 8.360 nan 0.000 0.458 131 K N 0.408 120.629 120.400 -0.300 0.000 2.283 131 K HA -0.074 4.248 4.320 0.002 0.000 0.202 131 K C 1.867 178.374 176.600 -0.154 0.000 1.048 131 K CA 0.654 56.766 56.287 -0.292 0.000 0.948 131 K CB -0.001 32.219 32.500 -0.467 0.000 0.742 131 K HN 0.241 nan 8.250 nan 0.000 0.458 132 L N -0.372 120.780 121.223 -0.118 0.000 2.591 132 L HA 0.054 4.395 4.340 0.002 0.000 0.228 132 L C 1.162 178.001 176.870 -0.051 0.000 1.133 132 L CA 0.464 55.264 54.840 -0.067 0.000 0.880 132 L CB -0.006 42.025 42.059 -0.047 0.000 1.033 132 L HN 0.380 nan 8.230 nan 0.000 0.450 133 G N -0.473 108.293 108.800 -0.058 0.000 2.201 133 G HA2 -0.214 3.747 3.960 0.002 0.000 0.212 133 G HA3 -0.214 3.747 3.960 0.002 0.000 0.212 133 G C 0.401 175.283 174.900 -0.030 0.000 0.994 133 G CA -0.141 44.934 45.100 -0.041 0.000 0.644 133 G HN 0.423 nan 8.290 nan 0.000 0.508 134 A N 0.187 122.991 122.820 -0.027 0.000 2.407 134 A HA 0.621 4.942 4.320 0.002 0.000 0.248 134 A C 0.329 177.908 177.584 -0.008 0.000 1.082 134 A CA 0.713 52.744 52.037 -0.011 0.000 0.785 134 A CB 0.501 19.502 19.000 0.002 0.000 1.020 134 A HN 0.595 nan 8.150 nan 0.000 0.489 135 E N 1.205 121.406 120.200 0.000 0.000 2.133 135 E HA 0.511 4.862 4.350 0.002 0.000 0.274 135 E C -1.472 175.139 176.600 0.018 0.000 0.930 135 E CA -0.461 55.942 56.400 0.006 0.000 0.770 135 E CB 0.604 30.306 29.700 0.004 0.000 1.104 135 E HN 0.476 nan 8.360 nan 0.000 0.403 136 I N 4.423 125.007 120.570 0.024 0.000 2.603 136 I HA 0.374 4.545 4.170 0.002 0.000 0.300 136 I C -0.559 175.580 176.117 0.037 0.000 1.017 136 I CA -0.431 60.891 61.300 0.037 0.000 1.098 136 I CB 1.793 39.821 38.000 0.046 0.000 1.279 136 I HN 0.443 nan 8.210 nan 0.000 0.437 137 K N 5.601 126.027 120.400 0.043 0.000 2.527 137 K HA 0.559 4.880 4.320 0.002 0.000 0.260 137 K C -1.935 174.696 176.600 0.052 0.000 0.937 137 K CA -0.808 55.504 56.287 0.041 0.000 0.826 137 K CB 2.365 34.886 32.500 0.035 0.000 1.359 137 K HN 0.512 nan 8.250 nan 0.000 0.434 138 L N 3.580 124.830 121.223 0.046 0.000 2.276 138 L HA 0.371 4.712 4.340 0.002 0.000 0.286 138 L C -1.014 175.887 176.870 0.053 0.000 1.024 138 L CA -0.001 54.870 54.840 0.051 0.000 0.826 138 L CB 0.822 42.901 42.059 0.032 0.000 1.211 138 L HN 0.999 nan 8.230 nan 0.000 0.422 139 E N 4.166 124.414 120.200 0.081 0.000 2.256 139 E HA 0.350 4.701 4.350 0.002 0.000 0.268 139 E C -0.682 175.992 176.600 0.123 0.000 0.877 139 E CA -0.648 55.797 56.400 0.076 0.000 0.757 139 E CB 1.448 31.184 29.700 0.060 0.000 1.183 139 E HN 0.603 nan 8.360 nan 0.000 0.418 140 E N 1.589 121.841 120.200 0.086 0.000 2.586 140 E HA -0.301 4.050 4.350 0.002 0.000 0.259 140 E C 0.647 177.305 176.600 0.098 0.000 1.107 140 E CA 0.616 57.077 56.400 0.102 0.000 0.754 140 E CB -1.742 28.047 29.700 0.148 0.000 1.335 140 E HN 1.219 nan 8.360 nan 0.000 0.411 141 G N -0.926 107.875 108.800 0.001 0.000 2.162 141 G HA2 -0.359 3.602 3.960 0.002 0.000 0.260 141 G HA3 -0.359 3.602 3.960 0.002 0.000 0.260 141 G C -0.216 174.533 174.900 -0.251 0.000 0.976 141 G CA 0.663 45.679 45.100 -0.141 0.000 0.655 141 G HN 0.328 nan 8.290 nan 0.000 0.533 142 Y N -0.841 119.467 120.300 0.014 0.000 2.352 142 Y HA 0.532 5.083 4.550 0.002 0.000 0.339 142 Y C 0.490 176.406 175.900 0.027 0.000 0.992 142 Y CA -0.697 57.421 58.100 0.030 0.000 1.100 142 Y CB 2.210 40.690 38.460 0.034 0.000 1.192 142 Y HN 0.200 nan 8.280 nan 0.000 0.458 143 V N 6.113 126.112 119.914 0.142 0.000 2.356 143 V HA 0.278 4.399 4.120 0.002 0.000 0.258 143 V C -0.640 175.529 176.094 0.126 0.000 1.065 143 V CA -0.495 61.865 62.300 0.100 0.000 0.935 143 V CB -0.373 31.483 31.823 0.055 0.000 1.061 143 V HN 0.668 nan 8.190 nan 0.000 0.484 144 K N 6.336 126.802 120.400 0.111 0.000 2.234 144 K HA 0.754 5.075 4.320 0.002 0.000 0.277 144 K C -0.254 176.386 176.600 0.066 0.000 1.038 144 K CA -0.136 56.206 56.287 0.092 0.000 0.888 144 K CB 1.842 34.388 32.500 0.077 0.000 1.091 144 K HN 0.769 nan 8.250 nan 0.000 0.467 145 A N 1.934 124.792 122.820 0.064 0.000 2.350 145 A HA 0.728 5.049 4.320 0.002 0.000 0.324 145 A C -0.630 176.972 177.584 0.030 0.000 1.118 145 A CA -0.619 51.447 52.037 0.048 0.000 0.783 145 A CB 1.265 20.300 19.000 0.058 0.000 1.236 145 A HN 0.710 nan 8.150 nan 0.000 0.457 146 S N -0.235 115.475 115.700 0.015 0.000 2.596 146 S HA 0.790 5.261 4.470 0.002 0.000 0.270 146 S C -1.362 173.235 174.600 -0.006 0.000 1.155 146 S CA -0.477 57.722 58.200 -0.002 0.000 0.827 146 S CB 1.378 64.574 63.200 -0.006 0.000 1.130 146 S HN 2.146 nan 8.310 nan 0.000 0.467 147 V N 1.196 121.101 119.914 -0.015 0.000 2.852 147 V HA 0.503 4.624 4.120 0.002 0.000 0.300 147 V C -1.483 174.597 176.094 -0.023 0.000 1.205 147 V CA -0.628 61.662 62.300 -0.017 0.000 0.940 147 V CB 1.753 33.565 31.823 -0.017 0.000 1.047 147 V HN 1.100 nan 8.190 nan 0.000 0.429 148 N N 4.555 123.243 118.700 -0.020 0.000 2.408 148 N HA 0.586 5.327 4.740 0.002 0.000 0.257 148 N C 0.321 175.817 175.510 -0.023 0.000 1.064 148 N CA 0.815 53.853 53.050 -0.021 0.000 0.952 148 N CB 1.027 39.505 38.487 -0.016 0.000 1.093 148 N HN 1.422 nan 8.380 nan 0.000 0.490 149 G N 2.341 111.125 108.800 -0.027 0.000 2.615 149 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 149 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 149 G C -0.465 174.413 174.900 -0.035 0.000 1.339 149 G CA -0.713 44.370 45.100 -0.030 0.000 0.884 149 G HN 0.584 nan 8.290 nan 0.000 0.559 150 R N -0.930 119.548 120.500 -0.037 0.000 2.652 150 R HA 0.575 4.916 4.340 0.002 0.000 0.271 150 R C 0.644 176.925 176.300 -0.032 0.000 1.129 150 R CA -0.485 55.591 56.100 -0.040 0.000 1.200 150 R CB 0.128 30.403 30.300 -0.041 0.000 1.146 150 R HN 0.453 nan 8.270 nan 0.000 0.581 151 L N 0.841 122.045 121.223 -0.032 0.000 2.421 151 L HA 0.348 4.690 4.340 0.002 0.000 0.263 151 L C 0.334 177.187 176.870 -0.029 0.000 1.122 151 L CA -0.295 54.528 54.840 -0.028 0.000 0.804 151 L CB 0.617 42.661 42.059 -0.024 0.000 1.150 151 L HN 0.364 nan 8.230 nan 0.000 0.457 152 K N 0.134 120.516 120.400 -0.029 0.000 2.221 152 K HA 0.445 4.766 4.320 0.002 0.000 0.258 152 K C -0.095 176.489 176.600 -0.027 0.000 0.944 152 K CA -0.588 55.683 56.287 -0.027 0.000 0.823 152 K CB 1.613 34.098 32.500 -0.025 0.000 1.113 152 K HN 0.707 nan 8.250 nan 0.000 0.431 153 G N 1.593 110.378 108.800 -0.024 0.000 2.484 153 G HA2 0.401 4.363 3.960 0.002 0.000 0.235 153 G HA3 0.401 4.363 3.960 0.002 0.000 0.235 153 G C -0.798 174.093 174.900 -0.014 0.000 1.282 153 G CA -0.073 45.014 45.100 -0.021 0.000 0.857 153 G HN 0.687 nan 8.290 nan 0.000 0.571 154 A N 1.202 124.020 122.820 -0.004 0.000 2.594 154 A HA 0.661 4.982 4.320 0.002 0.000 0.291 154 A C -0.948 176.685 177.584 0.080 0.000 1.105 154 A CA -0.724 51.325 52.037 0.020 0.000 0.694 154 A CB 1.093 20.085 19.000 -0.013 0.000 1.291 154 A HN 0.936 nan 8.150 nan 0.000 0.410 155 H N 0.951 120.010 119.070 -0.018 0.000 2.690 155 H HA 0.598 5.155 4.556 0.002 0.000 0.289 155 H C -1.029 174.305 175.328 0.010 0.000 1.089 155 H CA -0.446 55.601 56.048 -0.001 0.000 1.299 155 H CB 0.194 29.959 29.762 0.004 0.000 1.405 155 H HN 0.467 nan 8.280 nan 0.000 0.463 156 I N 6.288 126.952 120.570 0.157 0.000 2.362 156 I HA 0.166 4.337 4.170 0.002 0.000 0.289 156 I C -0.497 175.672 176.117 0.085 0.000 0.994 156 I CA -0.981 60.369 61.300 0.084 0.000 1.158 156 I CB 1.816 39.858 38.000 0.070 0.000 1.315 156 I HN 0.285 nan 8.210 nan 0.000 0.451 157 V N 6.699 126.654 119.914 0.069 0.000 2.350 157 V HA 0.310 4.431 4.120 0.002 0.000 0.276 157 V C 0.441 176.578 176.094 0.072 0.000 1.028 157 V CA -0.587 61.727 62.300 0.024 0.000 0.860 157 V CB 1.349 33.137 31.823 -0.059 0.000 0.990 157 V HN 0.616 nan 8.190 nan 0.000 0.453 158 M N 4.662 124.289 119.600 0.044 0.000 2.264 158 M HA 0.173 4.654 4.480 0.002 0.000 0.340 158 M C 0.425 176.683 176.300 -0.069 0.000 1.420 158 M CA -0.306 54.995 55.300 0.002 0.000 1.254 158 M CB 0.143 32.752 32.600 0.015 0.000 1.575 158 M HN 0.777 nan 8.290 nan 0.000 0.452 159 D N 2.170 122.479 120.400 -0.152 0.000 2.652 159 D HA 0.180 4.821 4.640 0.002 0.000 0.247 159 D C -0.090 176.141 176.300 -0.114 0.000 1.232 159 D CA 0.057 53.975 54.000 -0.136 0.000 0.863 159 D CB 0.028 40.723 40.800 -0.175 0.000 1.023 159 D HN 0.480 nan 8.370 nan 0.000 0.474 160 K N -0.672 119.676 120.400 -0.087 0.000 2.688 160 K HA 0.184 4.505 4.320 0.002 0.000 0.270 160 K C -1.772 174.796 176.600 -0.052 0.000 1.013 160 K CA -0.685 55.559 56.287 -0.073 0.000 0.924 160 K CB 1.557 34.007 32.500 -0.083 0.000 1.378 160 K HN -0.104 nan 8.250 nan 0.000 0.402 161 V N 2.794 122.680 119.914 -0.046 0.000 2.427 161 V HA 0.302 4.423 4.120 0.002 0.000 0.268 161 V C -0.105 175.971 176.094 -0.030 0.000 1.046 161 V CA 0.007 62.289 62.300 -0.028 0.000 0.970 161 V CB 0.967 32.777 31.823 -0.021 0.000 1.001 161 V HN 0.625 nan 8.190 nan 0.000 0.476 162 S N 4.202 119.893 115.700 -0.014 0.000 2.647 162 S HA 0.417 4.888 4.470 0.002 0.000 0.300 162 S C 0.560 175.181 174.600 0.036 0.000 1.129 162 S CA -0.626 57.574 58.200 0.001 0.000 1.029 162 S CB 1.903 65.095 63.200 -0.012 0.000 1.007 162 S HN 0.315 nan 8.310 nan 0.000 0.484 163 V N 5.433 125.396 119.914 0.081 0.000 2.307 163 V HA -0.004 4.118 4.120 0.002 0.000 0.245 163 V C 2.674 178.906 176.094 0.230 0.000 1.045 163 V CA 2.535 64.916 62.300 0.135 0.000 1.024 163 V CB -1.269 30.654 31.823 0.168 0.000 0.651 163 V HN 0.954 nan 8.190 nan 0.000 0.449 164 G N -0.347 108.633 108.800 0.299 0.000 2.459 164 G HA2 -0.234 3.728 3.960 0.002 0.000 0.217 164 G HA3 -0.234 3.728 3.960 0.002 0.000 0.217 164 G C 1.788 176.779 174.900 0.152 0.000 1.183 164 G CA 1.137 46.541 45.100 0.507 0.000 0.776 164 G HN 0.611 nan 8.290 nan 0.000 0.552 165 A N 0.120 122.715 122.820 -0.376 0.000 1.933 165 A HA -0.029 4.292 4.320 0.002 0.000 0.218 165 A C 2.525 180.008 177.584 -0.168 0.000 1.175 165 A CA 2.500 54.160 52.037 -0.628 0.000 0.628 165 A CB -0.984 17.798 19.000 -0.364 0.000 0.814 165 A HN 0.312 nan 8.150 nan 0.000 0.444 166 T N -0.375 114.154 114.554 -0.042 0.000 2.746 166 T HA -0.121 4.230 4.350 0.002 0.000 0.267 166 T C 1.872 176.575 174.700 0.005 0.000 1.039 166 T CA 1.574 63.675 62.100 0.000 0.000 1.142 166 T CB -0.403 68.475 68.868 0.018 0.000 0.866 166 T HN 0.169 nan 8.240 nan 0.000 0.444 167 V N 1.367 121.302 119.914 0.035 0.000 2.295 167 V HA -0.192 3.929 4.120 0.002 0.000 0.246 167 V C 2.795 178.877 176.094 -0.020 0.000 1.049 167 V CA 2.017 64.285 62.300 -0.054 0.000 1.024 167 V CB -1.146 30.536 31.823 -0.236 0.000 0.648 167 V HN 0.507 nan 8.190 nan 0.000 0.447 168 T N 0.447 115.077 114.554 0.128 0.000 2.635 168 T HA -0.193 4.159 4.350 0.002 0.000 0.267 168 T C 1.794 176.542 174.700 0.079 0.000 1.040 168 T CA 2.154 64.363 62.100 0.182 0.000 1.156 168 T CB -0.322 68.725 68.868 0.298 0.000 0.863 168 T HN 0.344 nan 8.240 nan 0.000 0.430 169 I N 0.672 121.265 120.570 0.037 0.000 2.179 169 I HA -0.181 3.991 4.170 0.002 0.000 0.242 169 I C 2.614 178.737 176.117 0.010 0.000 1.088 169 I CA 1.358 62.671 61.300 0.021 0.000 1.357 169 I CB -0.412 37.597 38.000 0.015 0.000 1.051 169 I HN 0.263 nan 8.210 nan 0.000 0.409 170 M N 0.358 119.958 119.600 -0.000 0.000 2.108 170 M HA -0.220 4.261 4.480 0.002 0.000 0.261 170 M C 2.414 178.703 176.300 -0.018 0.000 1.066 170 M CA 1.884 57.176 55.300 -0.013 0.000 1.107 170 M CB -0.014 32.572 32.600 -0.023 0.000 1.356 170 M HN 0.125 nan 8.290 nan 0.000 0.406 171 S N 0.698 116.389 115.700 -0.015 0.000 2.345 171 S HA -0.053 4.418 4.470 0.002 0.000 0.220 171 S C 2.025 176.630 174.600 0.007 0.000 1.031 171 S CA 1.315 59.510 58.200 -0.007 0.000 0.996 171 S CB -0.533 62.667 63.200 0.001 0.000 0.882 171 S HN 0.695 nan 8.310 nan 0.000 0.445 172 A N 1.464 124.298 122.820 0.024 0.000 1.972 172 A HA 0.125 4.446 4.320 0.002 0.000 0.219 172 A C 2.292 179.875 177.584 -0.002 0.000 1.169 172 A CA 1.629 53.680 52.037 0.023 0.000 0.635 172 A CB -0.951 18.071 19.000 0.037 0.000 0.810 172 A HN 0.511 nan 8.150 nan 0.000 0.446 173 A N -0.080 122.736 122.820 -0.008 0.000 2.019 173 A HA -0.073 4.248 4.320 0.002 0.000 0.219 173 A C 2.346 179.913 177.584 -0.028 0.000 1.164 173 A CA 2.252 54.278 52.037 -0.018 0.000 0.644 173 A CB -1.379 17.612 19.000 -0.016 0.000 0.805 173 A HN 0.804 nan 8.150 nan 0.000 0.449 174 T N -1.843 112.691 114.554 -0.033 0.000 2.849 174 T HA -0.061 4.291 4.350 0.002 0.000 0.270 174 T C 1.307 175.977 174.700 -0.049 0.000 1.066 174 T CA 1.505 63.578 62.100 -0.046 0.000 1.130 174 T CB -0.369 68.464 68.868 -0.059 0.000 0.864 174 T HN 0.326 nan 8.240 nan 0.000 0.481 175 L N 0.567 121.763 121.223 -0.045 0.000 2.769 175 L HA 0.540 4.881 4.340 0.002 0.000 0.240 175 L C 1.290 178.132 176.870 -0.047 0.000 1.163 175 L CA -0.572 54.236 54.840 -0.054 0.000 0.962 175 L CB -0.297 41.723 42.059 -0.065 0.000 1.258 175 L HN 0.311 nan 8.230 nan 0.000 0.513 176 A N 0.260 123.057 122.820 -0.039 0.000 2.287 176 A HA 0.250 4.571 4.320 0.002 0.000 0.273 176 A C 0.083 177.646 177.584 -0.035 0.000 1.091 176 A CA -0.255 51.762 52.037 -0.034 0.000 0.817 176 A CB 0.447 19.430 19.000 -0.029 0.000 1.069 176 A HN 0.251 nan 8.150 nan 0.000 0.492 177 E N -0.045 120.136 120.200 -0.032 0.000 2.044 177 E HA 0.467 4.818 4.350 0.002 0.000 0.282 177 E C 0.465 177.049 176.600 -0.028 0.000 1.031 177 E CA 0.747 57.129 56.400 -0.030 0.000 0.824 177 E CB 0.212 29.895 29.700 -0.028 0.000 1.076 177 E HN 1.329 nan 8.360 nan 0.000 0.395 178 G N 2.669 111.452 108.800 -0.028 0.000 2.466 178 G HA2 -0.173 3.789 3.960 0.002 0.000 0.316 178 G HA3 -0.173 3.789 3.960 0.002 0.000 0.316 178 G C -0.572 174.310 174.900 -0.030 0.000 1.270 178 G CA -0.609 44.474 45.100 -0.028 0.000 0.982 178 G HN 0.457 nan 8.290 nan 0.000 0.506 179 T N 1.094 115.629 114.554 -0.032 0.000 2.824 179 T HA 0.707 5.058 4.350 0.002 0.000 0.280 179 T C -0.015 174.664 174.700 -0.034 0.000 0.995 179 T CA 0.218 62.296 62.100 -0.037 0.000 1.009 179 T CB 1.541 70.382 68.868 -0.046 0.000 0.955 179 T HN 0.737 nan 8.240 nan 0.000 0.452 180 T N 3.501 118.037 114.554 -0.029 0.000 2.856 180 T HA 0.657 5.008 4.350 0.002 0.000 0.283 180 T C -0.397 174.294 174.700 -0.014 0.000 1.008 180 T CA -0.522 61.569 62.100 -0.014 0.000 0.997 180 T CB 0.709 69.573 68.868 -0.008 0.000 0.992 180 T HN 0.410 nan 8.240 nan 0.000 0.454 181 I N 3.299 123.877 120.570 0.014 0.000 2.478 181 I HA 0.429 4.600 4.170 0.002 0.000 0.287 181 I C -0.711 175.488 176.117 0.137 0.000 1.042 181 I CA -0.746 60.572 61.300 0.029 0.000 1.067 181 I CB 1.758 39.693 38.000 -0.109 0.000 1.233 181 I HN 0.465 nan 8.210 nan 0.000 0.431 182 I N 5.933 126.558 120.570 0.091 0.000 2.307 182 I HA 0.256 4.427 4.170 0.002 0.000 0.289 182 I C 0.098 176.272 176.117 0.096 0.000 1.021 182 I CA -0.577 60.780 61.300 0.094 0.000 1.224 182 I CB 0.839 38.872 38.000 0.055 0.000 1.376 182 I HN 0.434 nan 8.210 nan 0.000 0.470 183 E N 5.014 125.280 120.200 0.109 0.000 2.266 183 E HA 0.114 4.465 4.350 0.002 0.000 0.277 183 E C 0.168 176.795 176.600 0.044 0.000 1.018 183 E CA -0.328 56.121 56.400 0.081 0.000 0.840 183 E CB 1.046 30.780 29.700 0.057 0.000 1.082 183 E HN 0.553 nan 8.360 nan 0.000 0.395 184 N N 0.613 119.333 118.700 0.032 0.000 2.758 184 N HA -0.222 4.520 4.740 0.002 0.000 0.248 184 N C -1.136 174.386 175.510 0.019 0.000 1.076 184 N CA 0.798 53.858 53.050 0.017 0.000 0.696 184 N CB -0.848 37.639 38.487 0.001 0.000 0.979 184 N HN 0.569 nan 8.380 nan 0.000 0.550 185 A N -0.081 122.756 122.820 0.027 0.000 2.366 185 A HA 0.712 5.033 4.320 0.002 0.000 0.249 185 A C 0.886 178.485 177.584 0.025 0.000 1.084 185 A CA 0.128 52.181 52.037 0.026 0.000 0.794 185 A CB 0.358 19.375 19.000 0.028 0.000 1.034 185 A HN 0.877 nan 8.150 nan 0.000 0.491 186 A N 0.645 123.481 122.820 0.027 0.000 2.440 186 A HA 0.490 4.811 4.320 0.002 0.000 0.251 186 A C 0.644 178.255 177.584 0.045 0.000 1.089 186 A CA -0.281 51.778 52.037 0.036 0.000 0.779 186 A CB 0.007 19.032 19.000 0.040 0.000 1.022 186 A HN 0.744 nan 8.150 nan 0.000 0.492 187 R N 0.786 121.328 120.500 0.070 0.000 2.427 187 R HA 0.196 4.537 4.340 0.002 0.000 0.262 187 R C -0.380 175.989 176.300 0.116 0.000 0.943 187 R CA -0.131 56.025 56.100 0.094 0.000 1.081 187 R CB 0.016 30.384 30.300 0.113 0.000 1.166 187 R HN 0.758 nan 8.270 nan 0.000 0.534 188 E N 0.911 121.136 120.200 0.042 0.000 2.459 188 E HA -0.037 4.314 4.350 0.002 0.000 0.264 188 E C -1.551 174.939 176.600 -0.183 0.000 1.055 188 E CA -1.165 55.151 56.400 -0.139 0.000 0.957 188 E CB 0.383 30.037 29.700 -0.077 0.000 0.952 188 E HN -0.077 nan 8.360 nan 0.000 0.448 189 P HA -0.131 nan 4.420 nan 0.000 0.218 189 P C 0.304 177.548 177.300 -0.094 0.000 1.149 189 P CA 1.112 64.099 63.100 -0.189 0.000 0.817 189 P CB 0.311 31.871 31.700 -0.233 0.000 0.785 190 E N -0.872 119.272 120.200 -0.093 0.000 2.150 190 E HA -0.126 4.225 4.350 0.002 0.000 0.193 190 E C 1.938 178.504 176.600 -0.056 0.000 0.985 190 E CA 0.811 57.178 56.400 -0.056 0.000 0.814 190 E CB -0.883 28.794 29.700 -0.037 0.000 0.752 190 E HN 0.184 nan 8.360 nan 0.000 0.466 191 I N 0.246 120.787 120.570 -0.048 0.000 2.179 191 I HA -0.205 3.966 4.170 0.002 0.000 0.242 191 I C 2.130 178.227 176.117 -0.034 0.000 1.088 191 I CA 0.946 62.221 61.300 -0.040 0.000 1.357 191 I CB -1.003 36.988 38.000 -0.015 0.000 1.051 191 I HN 0.020 nan 8.210 nan 0.000 0.409 192 V N 1.012 120.914 119.914 -0.020 0.000 2.287 192 V HA -0.300 3.821 4.120 0.002 0.000 0.248 192 V C 2.283 178.384 176.094 0.013 0.000 1.053 192 V CA 2.196 64.496 62.300 0.000 0.000 1.027 192 V CB -0.715 31.115 31.823 0.011 0.000 0.646 192 V HN 0.311 nan 8.190 nan 0.000 0.447 193 D N -0.265 120.147 120.400 0.020 0.000 2.117 193 D HA -0.140 4.501 4.640 0.002 0.000 0.197 193 D C 2.271 178.541 176.300 -0.051 0.000 0.987 193 D CA 1.747 55.788 54.000 0.069 0.000 0.829 193 D CB -0.128 40.723 40.800 0.085 0.000 0.961 193 D HN 0.405 nan 8.370 nan 0.000 0.460 194 T N -0.366 114.140 114.554 -0.079 0.000 2.821 194 T HA -0.085 4.266 4.350 0.002 0.000 0.267 194 T C 1.920 176.579 174.700 -0.069 0.000 1.046 194 T CA 1.278 63.317 62.100 -0.100 0.000 1.139 194 T CB -0.392 68.393 68.868 -0.139 0.000 0.871 194 T HN 0.204 nan 8.240 nan 0.000 0.454 195 A N 2.652 125.434 122.820 -0.065 0.000 1.877 195 A HA -0.165 4.156 4.320 0.002 0.000 0.216 195 A C 2.232 179.767 177.584 -0.083 0.000 1.186 195 A CA 1.549 53.550 52.037 -0.061 0.000 0.620 195 A CB -0.649 18.329 19.000 -0.036 0.000 0.822 195 A HN 0.387 nan 8.150 nan 0.000 0.443 196 N N -1.039 117.620 118.700 -0.069 0.000 2.289 196 N HA -0.118 4.623 4.740 0.002 0.000 0.184 196 N C 1.347 176.716 175.510 -0.235 0.000 1.016 196 N CA 1.365 54.384 53.050 -0.051 0.000 0.872 196 N CB -0.575 37.990 38.487 0.131 0.000 0.973 196 N HN 0.569 nan 8.380 nan 0.000 0.433 197 F N 1.752 121.286 119.950 -0.694 0.000 2.113 197 F HA 0.001 4.529 4.527 0.002 0.000 0.297 197 F C 1.987 177.574 175.800 -0.356 0.000 1.103 197 F CA 0.950 58.431 58.000 -0.865 0.000 1.248 197 F CB -0.536 37.956 39.000 -0.846 0.000 0.999 197 F HN -0.105 nan 8.300 nan 0.000 0.475 198 L N -0.363 120.610 121.223 -0.417 0.000 2.042 198 L HA -0.241 4.100 4.340 0.002 0.000 0.210 198 L C 2.419 179.101 176.870 -0.313 0.000 1.076 198 L CA 1.181 55.779 54.840 -0.404 0.000 0.749 198 L CB -0.976 40.972 42.059 -0.186 0.000 0.893 198 L HN 0.038 nan 8.230 nan 0.000 0.432 199 V N 0.059 119.846 119.914 -0.210 0.000 2.407 199 V HA -0.290 3.831 4.120 0.002 0.000 0.248 199 V C 2.708 178.719 176.094 -0.138 0.000 1.055 199 V CA 1.747 63.966 62.300 -0.135 0.000 1.049 199 V CB -0.825 30.955 31.823 -0.073 0.000 0.662 199 V HN 0.499 nan 8.190 nan 0.000 0.455 200 A N -0.482 122.234 122.820 -0.173 0.000 2.015 200 A HA -0.071 4.250 4.320 0.002 0.000 0.219 200 A C 2.062 179.539 177.584 -0.178 0.000 1.163 200 A CA 1.329 53.297 52.037 -0.115 0.000 0.646 200 A CB -0.409 18.576 19.000 -0.024 0.000 0.806 200 A HN 0.537 nan 8.150 nan 0.000 0.448 201 L N -1.668 119.365 121.223 -0.317 0.000 2.599 201 L HA 0.184 4.525 4.340 0.002 0.000 0.230 201 L C 1.669 178.437 176.870 -0.170 0.000 1.141 201 L CA 0.630 55.304 54.840 -0.276 0.000 0.877 201 L CB -0.062 41.751 42.059 -0.410 0.000 1.009 201 L HN 0.593 nan 8.230 nan 0.000 0.447 202 G N -0.646 108.067 108.800 -0.145 0.000 2.211 202 G HA2 -0.183 3.778 3.960 0.002 0.000 0.201 202 G HA3 -0.183 3.778 3.960 0.002 0.000 0.201 202 G C 0.410 175.253 174.900 -0.095 0.000 0.997 202 G CA -0.171 44.870 45.100 -0.099 0.000 0.652 202 G HN 0.409 nan 8.290 nan 0.000 0.500 203 A N 0.187 122.935 122.820 -0.120 0.000 2.406 203 A HA 0.617 4.938 4.320 0.002 0.000 0.243 203 A C 0.456 177.994 177.584 -0.077 0.000 1.082 203 A CA 0.561 52.538 52.037 -0.099 0.000 0.786 203 A CB 0.287 19.217 19.000 -0.117 0.000 1.029 203 A HN 0.379 nan 8.150 nan 0.000 0.495 204 K N 1.275 121.638 120.400 -0.061 0.000 2.464 204 K HA 0.564 4.885 4.320 0.002 0.000 0.252 204 K C -1.371 175.203 176.600 -0.043 0.000 1.000 204 K CA 0.300 56.558 56.287 -0.048 0.000 0.951 204 K CB 0.916 33.392 32.500 -0.041 0.000 1.183 204 K HN 0.588 nan 8.250 nan 0.000 0.445 205 I N 1.277 121.822 120.570 -0.041 0.000 2.730 205 I HA 0.352 4.523 4.170 0.002 0.000 0.298 205 I C -0.316 175.787 176.117 -0.025 0.000 1.089 205 I CA -0.795 60.484 61.300 -0.034 0.000 1.041 205 I CB 2.341 40.317 38.000 -0.040 0.000 1.235 205 I HN 0.534 nan 8.210 nan 0.000 0.423 206 S N 1.961 117.649 115.700 -0.019 0.000 2.556 206 S HA 0.809 5.280 4.470 0.002 0.000 0.271 206 S C 0.148 174.744 174.600 -0.008 0.000 1.135 206 S CA 0.001 58.194 58.200 -0.012 0.000 0.858 206 S CB 2.000 65.192 63.200 -0.014 0.000 1.114 206 S HN 1.383 nan 8.310 nan 0.000 0.468 207 G N 0.810 109.609 108.800 -0.002 0.000 2.195 207 G HA2 -0.244 3.717 3.960 0.002 0.000 0.246 207 G HA3 -0.244 3.717 3.960 0.002 0.000 0.246 207 G C 0.141 175.046 174.900 0.008 0.000 0.984 207 G CA 0.109 45.211 45.100 0.004 0.000 0.633 207 G HN 1.333 nan 8.290 nan 0.000 0.525 208 Q N 0.479 120.282 119.800 0.005 0.000 2.283 208 Q HA 0.367 4.708 4.340 0.002 0.000 0.301 208 Q C 1.181 177.191 176.000 0.017 0.000 1.063 208 Q CA 1.222 57.029 55.803 0.007 0.000 0.952 208 Q CB 0.801 29.539 28.738 0.000 0.000 1.166 208 Q HN 1.885 nan 8.270 nan 0.000 0.381 209 G N 2.193 111.008 108.800 0.025 0.000 2.213 209 G HA2 -0.283 3.678 3.960 0.002 0.000 0.226 209 G HA3 -0.283 3.678 3.960 0.002 0.000 0.226 209 G C 0.253 175.180 174.900 0.045 0.000 0.992 209 G CA 0.317 45.442 45.100 0.042 0.000 0.632 209 G HN 1.156 nan 8.290 nan 0.000 0.511 210 T N -1.675 112.898 114.554 0.031 0.000 2.919 210 T HA 0.569 4.920 4.350 0.002 0.000 0.282 210 T C 0.766 175.482 174.700 0.027 0.000 1.020 210 T CA 0.590 62.706 62.100 0.027 0.000 0.994 210 T CB 1.630 70.510 68.868 0.019 0.000 1.180 210 T HN 0.133 nan 8.240 nan 0.000 0.566 211 D N -1.086 119.328 120.400 0.024 0.000 2.349 211 D HA 0.104 4.745 4.640 0.002 0.000 0.224 211 D C 0.656 176.974 176.300 0.031 0.000 1.029 211 D CA -0.131 53.884 54.000 0.026 0.000 0.879 211 D CB -0.110 40.702 40.800 0.021 0.000 0.906 211 D HN 0.571 nan 8.370 nan 0.000 0.528 212 R N 0.914 121.432 120.500 0.030 0.000 2.468 212 R HA 0.457 4.798 4.340 0.002 0.000 0.302 212 R C -1.585 174.730 176.300 0.024 0.000 1.041 212 R CA -0.513 55.609 56.100 0.036 0.000 0.899 212 R CB 0.452 30.774 30.300 0.037 0.000 1.167 212 R HN -0.006 nan 8.270 nan 0.000 0.483 213 I N 3.604 124.189 120.570 0.025 0.000 2.377 213 I HA 0.337 4.509 4.170 0.002 0.000 0.293 213 I C -0.317 175.803 176.117 0.004 0.000 0.987 213 I CA -0.805 60.502 61.300 0.011 0.000 1.185 213 I CB 2.375 40.380 38.000 0.009 0.000 1.341 213 I HN 0.607 nan 8.210 nan 0.000 0.455 214 T N 7.088 121.636 114.554 -0.009 0.000 2.786 214 T HA 0.624 4.975 4.350 0.002 0.000 0.283 214 T C -0.399 174.287 174.700 -0.024 0.000 0.992 214 T CA -0.313 61.774 62.100 -0.022 0.000 0.954 214 T CB 0.964 69.813 68.868 -0.032 0.000 0.934 214 T HN 0.168 nan 8.240 nan 0.000 0.440 215 I N 2.511 123.066 120.570 -0.026 0.000 2.436 215 I HA 0.369 4.540 4.170 0.002 0.000 0.289 215 I C 0.191 176.288 176.117 -0.033 0.000 1.010 215 I CA -0.581 60.701 61.300 -0.029 0.000 1.098 215 I CB 1.921 39.905 38.000 -0.027 0.000 1.266 215 I HN 0.538 nan 8.210 nan 0.000 0.434 216 E N 4.769 124.947 120.200 -0.035 0.000 2.102 216 E HA 0.505 4.856 4.350 0.002 0.000 0.263 216 E C 0.126 176.704 176.600 -0.038 0.000 0.894 216 E CA -0.635 55.744 56.400 -0.036 0.000 0.746 216 E CB 1.133 30.813 29.700 -0.035 0.000 1.129 216 E HN 0.849 nan 8.360 nan 0.000 0.416 217 G N 2.368 111.146 108.800 -0.037 0.000 2.562 217 G HA2 0.254 4.215 3.960 0.002 0.000 0.233 217 G HA3 0.254 4.215 3.960 0.002 0.000 0.233 217 G C 0.092 174.967 174.900 -0.042 0.000 1.266 217 G CA 0.161 45.237 45.100 -0.040 0.000 0.852 217 G HN 0.439 nan 8.290 nan 0.000 0.581 218 V N -1.175 118.711 119.914 -0.047 0.000 3.141 218 V HA 0.562 4.683 4.120 0.002 0.000 0.312 218 V C 0.835 176.898 176.094 -0.051 0.000 1.157 218 V CA -0.756 61.515 62.300 -0.047 0.000 1.041 218 V CB 1.877 33.669 31.823 -0.051 0.000 1.071 218 V HN 0.776 nan 8.190 nan 0.000 0.441 219 E N 1.014 121.185 120.200 -0.048 0.000 2.072 219 E HA -0.022 4.330 4.350 0.002 0.000 0.191 219 E C 0.421 176.983 176.600 -0.063 0.000 0.985 219 E CA 1.682 58.051 56.400 -0.051 0.000 0.801 219 E CB 0.129 29.803 29.700 -0.043 0.000 0.750 219 E HN 0.765 nan 8.360 nan 0.000 0.452 220 R N -0.770 119.693 120.500 -0.061 0.000 2.734 220 R HA 0.530 4.871 4.340 0.002 0.000 0.271 220 R C -1.375 174.883 176.300 -0.069 0.000 1.021 220 R CA -0.745 55.313 56.100 -0.069 0.000 0.893 220 R CB 0.937 31.199 30.300 -0.063 0.000 1.244 220 R HN -0.152 nan 8.270 nan 0.000 0.464 221 L N 1.138 122.316 121.223 -0.074 0.000 2.334 221 L HA 0.594 4.935 4.340 0.002 0.000 0.276 221 L C 0.673 177.503 176.870 -0.067 0.000 1.014 221 L CA -0.650 54.139 54.840 -0.085 0.000 0.815 221 L CB 2.008 44.002 42.059 -0.107 0.000 1.268 221 L HN 1.005 nan 8.230 nan 0.000 0.428 222 G N 1.248 110.006 108.800 -0.070 0.000 3.311 222 G HA2 0.603 4.564 3.960 0.002 0.000 0.169 222 G HA3 0.603 4.564 3.960 0.002 0.000 0.169 222 G C 0.051 174.929 174.900 -0.036 0.000 1.852 222 G CA 0.421 45.495 45.100 -0.043 0.000 1.010 222 G HN 0.762 nan 8.290 nan 0.000 0.530 223 G N -3.145 105.640 108.800 -0.025 0.000 2.911 223 G HA2 0.709 4.671 3.960 0.002 0.000 0.299 223 G HA3 0.709 4.671 3.960 0.002 0.000 0.299 223 G C -0.376 174.527 174.900 0.005 0.000 1.283 223 G CA 0.153 45.255 45.100 0.003 0.000 0.805 223 G HN 1.836 nan 8.290 nan 0.000 0.548 224 G N -2.612 106.223 108.800 0.058 0.000 2.350 224 G HA2 0.504 4.465 3.960 0.002 0.000 0.282 224 G HA3 0.504 4.465 3.960 0.002 0.000 0.282 224 G C -2.004 172.972 174.900 0.126 0.000 1.314 224 G CA 0.173 45.318 45.100 0.075 0.000 0.915 224 G HN 1.427 nan 8.290 nan 0.000 0.499 225 V N 0.501 120.495 119.914 0.133 0.000 2.531 225 V HA 0.713 4.835 4.120 0.002 0.000 0.301 225 V C -1.260 174.953 176.094 0.199 0.000 1.034 225 V CA -0.570 61.807 62.300 0.129 0.000 0.865 225 V CB 1.499 33.363 31.823 0.068 0.000 0.995 225 V HN 0.922 nan 8.190 nan 0.000 0.424 226 Y N 4.300 124.640 120.300 0.067 0.000 2.421 226 Y HA 0.593 5.144 4.550 0.002 0.000 0.339 226 Y C -0.173 175.711 175.900 -0.026 0.000 0.996 226 Y CA -0.819 57.326 58.100 0.075 0.000 1.046 226 Y CB 1.673 40.288 38.460 0.260 0.000 1.226 226 Y HN 0.615 nan 8.280 nan 0.000 0.445 227 R N 5.402 125.573 120.500 -0.549 0.000 2.255 227 R HA 0.571 4.912 4.340 0.002 0.000 0.326 227 R C -1.357 174.738 176.300 -0.342 0.000 0.986 227 R CA -0.516 55.375 56.100 -0.349 0.000 0.847 227 R CB 0.822 30.952 30.300 -0.283 0.000 1.111 227 R HN 0.619 nan 8.270 nan 0.000 0.452 228 V N 6.397 126.244 119.914 -0.111 0.000 2.740 228 V HA 0.004 4.125 4.120 0.002 0.000 0.303 228 V C 0.998 177.063 176.094 -0.048 0.000 1.054 228 V CA -0.141 62.149 62.300 -0.017 0.000 1.106 228 V CB 0.640 32.443 31.823 -0.033 0.000 0.957 228 V HN 0.687 nan 8.190 nan 0.000 0.486 229 L N 4.648 125.867 121.223 -0.007 0.000 2.472 229 L HA 0.542 4.883 4.340 0.002 0.000 0.260 229 L C -2.395 174.463 176.870 -0.020 0.000 1.209 229 L CA -1.671 53.157 54.840 -0.021 0.000 0.817 229 L CB -0.052 42.007 42.059 -0.001 0.000 1.106 229 L HN 0.348 nan 8.230 nan 0.000 0.479 230 P HA -0.021 nan 4.420 nan 0.000 0.266 230 P C -1.114 176.183 177.300 -0.005 0.000 1.195 230 P CA 0.067 63.165 63.100 -0.004 0.000 0.768 230 P CB 0.329 32.033 31.700 0.006 0.000 0.838 231 D N 3.040 123.440 120.400 0.000 0.000 2.344 231 D HA -0.012 4.629 4.640 0.002 0.000 0.253 231 D C 1.324 177.627 176.300 0.004 0.000 1.255 231 D CA -0.062 53.931 54.000 -0.012 0.000 0.894 231 D CB 0.544 41.328 40.800 -0.027 0.000 1.067 231 D HN 0.348 nan 8.370 nan 0.000 0.492 232 R N 3.745 124.239 120.500 -0.010 0.000 2.148 232 R HA -0.107 4.234 4.340 0.002 0.000 0.227 232 R C 1.388 177.693 176.300 0.009 0.000 1.103 232 R CA 0.525 56.626 56.100 0.002 0.000 0.983 232 R CB -0.099 30.188 30.300 -0.021 0.000 0.874 232 R HN 0.342 nan 8.270 nan 0.000 0.451 233 I N 1.751 122.311 120.570 -0.017 0.000 2.353 233 I HA -0.112 4.059 4.170 0.002 0.000 0.248 233 I C 2.474 178.605 176.117 0.023 0.000 1.119 233 I CA 1.124 62.416 61.300 -0.014 0.000 1.417 233 I CB -1.127 36.840 38.000 -0.055 0.000 1.078 233 I HN 0.357 nan 8.210 nan 0.000 0.421 234 E N 0.948 121.152 120.200 0.006 0.000 2.072 234 E HA -0.183 4.168 4.350 0.002 0.000 0.191 234 E C 2.030 178.781 176.600 0.252 0.000 0.985 234 E CA 1.892 58.365 56.400 0.123 0.000 0.801 234 E CB 0.192 29.976 29.700 0.140 0.000 0.750 234 E HN 0.380 nan 8.360 nan 0.000 0.452 235 T N -0.104 114.571 114.554 0.202 0.000 2.652 235 T HA -0.159 4.192 4.350 0.002 0.000 0.267 235 T C 1.769 176.587 174.700 0.197 0.000 1.039 235 T CA 1.380 63.612 62.100 0.220 0.000 1.153 235 T CB -0.780 68.168 68.868 0.132 0.000 0.863 235 T HN 0.411 nan 8.240 nan 0.000 0.428 236 G N 0.936 109.817 108.800 0.135 0.000 2.442 236 G HA2 -0.231 3.731 3.960 0.002 0.000 0.219 236 G HA3 -0.231 3.731 3.960 0.002 0.000 0.219 236 G C 1.713 176.686 174.900 0.122 0.000 1.141 236 G CA 1.508 46.691 45.100 0.138 0.000 0.763 236 G HN 0.469 nan 8.290 nan 0.000 0.554 237 T N 0.815 115.416 114.554 0.078 0.000 2.708 237 T HA -0.074 4.278 4.350 0.002 0.000 0.266 237 T C 2.044 176.662 174.700 -0.137 0.000 1.037 237 T CA 1.072 63.146 62.100 -0.044 0.000 1.146 237 T CB -0.338 68.489 68.868 -0.068 0.000 0.865 237 T HN 0.294 nan 8.240 nan 0.000 0.435 238 F N 0.750 120.754 119.950 0.090 0.000 2.259 238 F HA 0.132 4.660 4.527 0.002 0.000 0.298 238 F C 2.088 177.909 175.800 0.035 0.000 1.088 238 F CA 0.518 58.551 58.000 0.055 0.000 1.358 238 F CB -0.399 38.641 39.000 0.065 0.000 1.040 238 F HN 0.063 nan 8.300 nan 0.000 0.505 239 L N -0.882 120.462 121.223 0.202 0.000 2.093 239 L HA -0.186 4.155 4.340 0.002 0.000 0.208 239 L C 2.293 179.194 176.870 0.051 0.000 1.085 239 L CA 0.612 55.529 54.840 0.129 0.000 0.755 239 L CB -0.656 41.482 42.059 0.132 0.000 0.904 239 L HN -0.028 nan 8.230 nan 0.000 0.435 240 V N -0.046 119.869 119.914 0.002 0.000 2.515 240 V HA -0.237 3.884 4.120 0.002 0.000 0.250 240 V C 2.725 178.773 176.094 -0.078 0.000 1.058 240 V CA 1.555 63.787 62.300 -0.113 0.000 1.064 240 V CB -0.622 31.089 31.823 -0.187 0.000 0.675 240 V HN 0.463 nan 8.190 nan 0.000 0.461 241 A N 0.089 122.891 122.820 -0.030 0.000 1.908 241 A HA -0.183 4.138 4.320 0.002 0.000 0.218 241 A C 2.400 179.991 177.584 0.011 0.000 1.181 241 A CA 2.310 54.342 52.037 -0.008 0.000 0.627 241 A CB -0.687 18.347 19.000 0.056 0.000 0.818 241 A HN 0.570 nan 8.150 nan 0.000 0.445 242 A N -0.401 122.438 122.820 0.033 0.000 1.872 242 A HA 0.280 4.601 4.320 0.002 0.000 0.214 242 A C 2.511 180.088 177.584 -0.012 0.000 1.187 242 A CA 1.775 53.822 52.037 0.017 0.000 0.614 242 A CB -1.064 17.954 19.000 0.029 0.000 0.826 242 A HN 1.099 nan 8.150 nan 0.000 0.442 243 A N 0.631 123.436 122.820 -0.025 0.000 1.978 243 A HA -0.122 4.199 4.320 0.002 0.000 0.220 243 A C 2.011 179.565 177.584 -0.050 0.000 1.170 243 A CA 1.629 53.641 52.037 -0.042 0.000 0.636 243 A CB -0.827 18.132 19.000 -0.069 0.000 0.810 243 A HN 1.021 nan 8.150 nan 0.000 0.448 244 I N -2.906 117.627 120.570 -0.060 0.000 3.728 244 I HA 0.119 4.291 4.170 0.002 0.000 0.307 244 I C 1.292 177.390 176.117 -0.031 0.000 1.276 244 I CA 1.088 62.356 61.300 -0.053 0.000 1.285 244 I CB 0.240 38.198 38.000 -0.070 0.000 1.038 244 I HN 0.231 nan 8.210 nan 0.000 0.445 245 S N -0.138 115.549 115.700 -0.022 0.000 2.663 245 S HA 0.447 4.918 4.470 0.002 0.000 0.243 245 S C 1.470 176.065 174.600 -0.008 0.000 1.009 245 S CA 0.129 58.321 58.200 -0.013 0.000 0.988 245 S CB 0.222 63.417 63.200 -0.009 0.000 0.896 245 S HN 0.708 nan 8.310 nan 0.000 0.502 246 G N 0.604 109.399 108.800 -0.009 0.000 2.180 246 G HA2 -0.190 3.771 3.960 0.002 0.000 0.263 246 G HA3 -0.190 3.771 3.960 0.002 0.000 0.263 246 G C 0.588 175.480 174.900 -0.012 0.000 0.989 246 G CA 0.195 45.292 45.100 -0.004 0.000 0.692 246 G HN 1.106 nan 8.290 nan 0.000 0.526 247 G N -0.924 107.867 108.800 -0.016 0.000 2.525 247 G HA2 0.600 4.561 3.960 0.002 0.000 0.287 247 G HA3 0.600 4.561 3.960 0.002 0.000 0.287 247 G C -0.149 174.726 174.900 -0.041 0.000 1.350 247 G CA 0.064 45.152 45.100 -0.020 0.000 1.039 247 G HN 0.632 nan 8.290 nan 0.000 0.513 248 K N -1.059 119.320 120.400 -0.035 0.000 2.427 248 K HA 0.668 4.989 4.320 0.002 0.000 0.252 248 K C -1.672 174.918 176.600 -0.016 0.000 0.931 248 K CA -0.742 55.518 56.287 -0.045 0.000 0.793 248 K CB 2.078 34.542 32.500 -0.059 0.000 1.211 248 K HN 0.435 nan 8.250 nan 0.000 0.426 249 I N 2.935 123.506 120.570 0.001 0.000 2.913 249 I HA 0.414 4.585 4.170 0.002 0.000 0.302 249 I C -1.797 174.341 176.117 0.035 0.000 1.246 249 I CA -0.980 60.328 61.300 0.014 0.000 1.010 249 I CB 2.389 40.413 38.000 0.041 0.000 1.259 249 I HN 0.409 nan 8.210 nan 0.000 0.434 250 V N 5.370 125.295 119.914 0.019 0.000 2.483 250 V HA 0.353 4.474 4.120 0.002 0.000 0.297 250 V C -0.681 175.442 176.094 0.050 0.000 1.027 250 V CA -0.571 61.760 62.300 0.052 0.000 0.855 250 V CB 1.431 33.237 31.823 -0.028 0.000 0.995 250 V HN 0.774 nan 8.190 nan 0.000 0.424 251 C N 6.231 125.602 119.300 0.118 0.000 2.285 251 C HA 0.607 5.068 4.460 0.002 0.000 0.335 251 C C 0.576 175.646 174.990 0.133 0.000 1.267 251 C CA -1.033 58.038 59.018 0.089 0.000 1.762 251 C CB -0.064 27.746 27.740 0.117 0.000 2.365 251 C HN 0.735 nan 8.230 nan 0.000 0.527 252 R N 2.441 122.984 120.500 0.072 0.000 2.573 252 R HA 0.282 4.623 4.340 0.002 0.000 0.272 252 R C 0.267 176.611 176.300 0.074 0.000 1.009 252 R CA -0.395 55.761 56.100 0.092 0.000 1.059 252 R CB 0.285 30.604 30.300 0.031 0.000 1.112 252 R HN 0.779 nan 8.270 nan 0.000 0.517 253 N N -1.258 117.491 118.700 0.083 0.000 2.754 253 N HA -0.187 4.554 4.740 0.002 0.000 0.248 253 N C -1.119 174.419 175.510 0.048 0.000 1.093 253 N CA 1.156 54.237 53.050 0.051 0.000 0.699 253 N CB -0.933 37.570 38.487 0.026 0.000 1.016 253 N HN 0.749 nan 8.380 nan 0.000 0.552 254 A N -0.196 122.663 122.820 0.065 0.000 2.269 254 A HA 0.725 5.046 4.320 0.002 0.000 0.327 254 A C 0.177 177.767 177.584 0.010 0.000 1.112 254 A CA -0.391 51.674 52.037 0.046 0.000 0.865 254 A CB 1.162 20.203 19.000 0.067 0.000 1.227 254 A HN 0.216 nan 8.150 nan 0.000 0.498 255 Q N 0.522 120.321 119.800 -0.002 0.000 2.771 255 Q HA 0.305 4.646 4.340 0.002 0.000 0.247 255 Q C -2.270 173.715 176.000 -0.025 0.000 0.986 255 Q CA -1.771 54.020 55.803 -0.021 0.000 0.713 255 Q CB 1.259 29.989 28.738 -0.014 0.000 1.241 255 Q HN 0.438 nan 8.270 nan 0.000 0.488 256 P HA -0.244 nan 4.420 nan 0.000 0.218 256 P C 0.637 177.922 177.300 -0.026 0.000 1.154 256 P CA 1.796 64.862 63.100 -0.058 0.000 0.872 256 P CB 0.182 31.806 31.700 -0.127 0.000 0.790 257 D N -1.382 119.005 120.400 -0.022 0.000 2.384 257 D HA -0.123 4.518 4.640 0.002 0.000 0.222 257 D C 1.181 177.510 176.300 0.049 0.000 0.976 257 D CA 1.535 55.538 54.000 0.005 0.000 0.915 257 D CB -1.548 39.254 40.800 0.003 0.000 0.896 257 D HN 0.256 nan 8.370 nan 0.000 0.523 258 T N -2.691 111.890 114.554 0.045 0.000 3.107 258 T HA 0.210 4.561 4.350 0.002 0.000 0.249 258 T C 1.233 175.996 174.700 0.105 0.000 1.096 258 T CA -0.258 61.891 62.100 0.081 0.000 1.012 258 T CB -0.286 68.582 68.868 0.001 0.000 0.977 258 T HN 0.202 nan 8.240 nan 0.000 0.527 259 L N 0.593 121.852 121.223 0.060 0.000 3.267 259 L HA 0.365 4.706 4.340 0.002 0.000 0.289 259 L C 0.863 177.747 176.870 0.024 0.000 1.260 259 L CA -0.319 54.544 54.840 0.038 0.000 1.034 259 L CB 0.506 42.584 42.059 0.032 0.000 1.413 259 L HN -0.011 nan 8.230 nan 0.000 0.594 260 D N 1.621 122.032 120.400 0.019 0.000 2.126 260 D HA -0.243 4.398 4.640 0.002 0.000 0.190 260 D C 2.150 178.456 176.300 0.009 0.000 1.001 260 D CA 1.848 55.850 54.000 0.004 0.000 0.841 260 D CB 0.184 40.975 40.800 -0.016 0.000 0.949 260 D HN 0.403 nan 8.370 nan 0.000 0.446 261 A N 0.750 123.564 122.820 -0.010 0.000 1.883 261 A HA -0.163 4.158 4.320 0.002 0.000 0.217 261 A C 2.638 180.251 177.584 0.047 0.000 1.186 261 A CA 1.666 53.711 52.037 0.014 0.000 0.624 261 A CB -0.881 18.116 19.000 -0.005 0.000 0.822 261 A HN 0.161 nan 8.150 nan 0.000 0.444 262 V N 0.248 120.152 119.914 -0.017 0.000 2.295 262 V HA -0.264 3.857 4.120 0.002 0.000 0.246 262 V C 2.581 178.777 176.094 0.171 0.000 1.049 262 V CA 1.999 64.319 62.300 0.033 0.000 1.024 262 V CB -0.788 31.031 31.823 -0.006 0.000 0.648 262 V HN 0.570 nan 8.190 nan 0.000 0.447 263 L N 0.015 121.306 121.223 0.114 0.000 2.083 263 L HA -0.158 4.183 4.340 0.002 0.000 0.209 263 L C 2.728 179.669 176.870 0.118 0.000 1.083 263 L CA 1.516 56.426 54.840 0.118 0.000 0.752 263 L CB -0.866 41.234 42.059 0.068 0.000 0.899 263 L HN 0.378 nan 8.230 nan 0.000 0.433 264 A N -0.048 122.829 122.820 0.095 0.000 1.902 264 A HA -0.219 4.102 4.320 0.002 0.000 0.217 264 A C 2.297 179.949 177.584 0.113 0.000 1.181 264 A CA 1.689 53.775 52.037 0.083 0.000 0.623 264 A CB -0.311 18.722 19.000 0.056 0.000 0.818 264 A HN 0.154 nan 8.150 nan 0.000 0.443 265 K N -0.218 120.274 120.400 0.153 0.000 2.103 265 K HA 0.126 4.447 4.320 0.002 0.000 0.204 265 K C 1.737 178.521 176.600 0.308 0.000 1.052 265 K CA 0.861 57.267 56.287 0.200 0.000 0.945 265 K CB -0.452 32.138 32.500 0.149 0.000 0.722 265 K HN 0.505 nan 8.250 nan 0.000 0.443 266 L N -0.002 121.423 121.223 0.336 0.000 2.093 266 L HA -0.140 4.202 4.340 0.002 0.000 0.208 266 L C 2.297 179.261 176.870 0.157 0.000 1.085 266 L CA 1.163 56.161 54.840 0.263 0.000 0.755 266 L CB -0.241 41.954 42.059 0.226 0.000 0.904 266 L HN 0.144 nan 8.230 nan 0.000 0.435 267 R N -0.009 120.571 120.500 0.134 0.000 2.075 267 R HA -0.161 4.180 4.340 0.002 0.000 0.232 267 R C 2.076 178.431 176.300 0.091 0.000 1.126 267 R CA 1.203 57.362 56.100 0.098 0.000 0.963 267 R CB -0.237 30.112 30.300 0.082 0.000 0.858 267 R HN 0.428 nan 8.270 nan 0.000 0.435 268 E N 0.304 120.564 120.200 0.099 0.000 2.204 268 E HA -0.140 4.212 4.350 0.002 0.000 0.195 268 E C 1.618 178.268 176.600 0.084 0.000 0.990 268 E CA 1.006 57.456 56.400 0.082 0.000 0.821 268 E CB 0.046 29.794 29.700 0.080 0.000 0.750 268 E HN 0.335 nan 8.360 nan 0.000 0.477 269 A N -0.324 122.558 122.820 0.104 0.000 2.208 269 A HA 0.223 4.545 4.320 0.002 0.000 0.209 269 A C 1.646 179.268 177.584 0.063 0.000 1.161 269 A CA 0.926 53.013 52.037 0.083 0.000 0.782 269 A CB 0.052 19.105 19.000 0.089 0.000 0.816 269 A HN 0.340 nan 8.150 nan 0.000 0.477 270 G N -2.396 106.446 108.800 0.070 0.000 2.168 270 G HA2 0.182 4.143 3.960 0.002 0.000 0.197 270 G HA3 0.182 4.143 3.960 0.002 0.000 0.197 270 G C 0.341 175.287 174.900 0.076 0.000 0.997 270 G CA 0.069 45.210 45.100 0.068 0.000 0.658 270 G HN 1.435 nan 8.290 nan 0.000 0.513 271 A N 0.129 122.992 122.820 0.071 0.000 2.371 271 A HA 0.572 4.893 4.320 0.002 0.000 0.257 271 A C 0.101 177.732 177.584 0.079 0.000 1.089 271 A CA 0.578 52.652 52.037 0.061 0.000 0.794 271 A CB 0.590 19.623 19.000 0.054 0.000 1.029 271 A HN 0.534 nan 8.150 nan 0.000 0.488 272 D N 1.798 122.239 120.400 0.069 0.000 2.396 272 D HA 0.464 5.105 4.640 0.002 0.000 0.225 272 D C -0.644 175.702 176.300 0.078 0.000 1.121 272 D CA 0.057 54.121 54.000 0.107 0.000 0.853 272 D CB 0.006 40.927 40.800 0.202 0.000 1.043 272 D HN 0.346 nan 8.370 nan 0.000 0.500 273 I N 3.113 123.735 120.570 0.087 0.000 2.404 273 I HA 0.340 4.511 4.170 0.002 0.000 0.293 273 I C 0.199 176.371 176.117 0.091 0.000 0.992 273 I CA -0.822 60.531 61.300 0.087 0.000 1.149 273 I CB 1.690 39.735 38.000 0.076 0.000 1.315 273 I HN 0.192 nan 8.210 nan 0.000 0.446 274 E N 4.085 124.359 120.200 0.124 0.000 2.266 274 E HA 0.544 4.895 4.350 0.002 0.000 0.268 274 E C -0.881 175.709 176.600 -0.017 0.000 0.879 274 E CA -0.503 55.975 56.400 0.130 0.000 0.762 274 E CB 2.777 32.661 29.700 0.308 0.000 1.199 274 E HN 0.693 nan 8.360 nan 0.000 0.422 275 T N -1.375 113.001 114.554 -0.296 0.000 2.906 275 T HA 0.822 5.173 4.350 0.002 0.000 0.295 275 T C 0.187 174.171 174.700 -1.193 0.000 1.061 275 T CA -0.760 60.908 62.100 -0.720 0.000 1.000 275 T CB 2.124 70.766 68.868 -0.377 0.000 1.103 275 T HN 0.427 nan 8.240 nan 0.000 0.486 276 G N 0.138 107.853 108.800 -1.809 0.000 3.251 276 G HA2 0.499 4.461 3.960 0.002 0.000 0.248 276 G HA3 0.499 4.461 3.960 0.002 0.000 0.248 276 G C 0.277 174.761 174.900 -0.693 0.000 1.320 276 G CA -0.486 43.787 45.100 -1.379 0.000 0.982 276 G HN 0.712 nan 8.290 nan 0.000 0.575 277 E N -0.335 119.670 120.200 -0.325 0.000 2.077 277 E HA -0.088 4.263 4.350 0.002 0.000 0.193 277 E C 0.934 177.457 176.600 -0.128 0.000 0.989 277 E CA 2.049 58.364 56.400 -0.143 0.000 0.800 277 E CB 0.150 29.841 29.700 -0.015 0.000 0.746 277 E HN 0.470 nan 8.360 nan 0.000 0.452 278 D N -1.167 119.184 120.400 -0.081 0.000 2.760 278 D HA 0.072 4.713 4.640 0.002 0.000 0.314 278 D C -0.502 175.870 176.300 0.120 0.000 1.464 278 D CA -0.571 53.437 54.000 0.014 0.000 0.797 278 D CB -0.859 39.988 40.800 0.079 0.000 1.149 278 D HN 0.307 nan 8.370 nan 0.000 0.455 279 W N -0.115 121.189 121.300 0.007 0.000 3.137 279 W HA 0.672 5.333 4.660 0.002 0.000 0.324 279 W C -2.103 174.426 176.519 0.015 0.000 1.253 279 W CA -1.290 56.059 57.345 0.008 0.000 1.183 279 W CB 0.468 29.928 29.460 0.001 0.000 1.424 279 W HN -0.291 nan 8.180 nan 0.000 0.566 280 I N 2.967 123.737 120.570 0.334 0.000 2.619 280 I HA 0.347 4.518 4.170 0.002 0.000 0.292 280 I C -0.212 176.133 176.117 0.380 0.000 1.100 280 I CA -0.740 60.687 61.300 0.211 0.000 1.043 280 I CB 2.593 40.647 38.000 0.089 0.000 1.239 280 I HN 0.456 nan 8.210 nan 0.000 0.420 281 S N 6.842 122.774 115.700 0.386 0.000 2.513 281 S HA 0.833 5.304 4.470 0.002 0.000 0.299 281 S C -1.053 173.644 174.600 0.161 0.000 1.087 281 S CA -0.738 57.627 58.200 0.274 0.000 1.012 281 S CB 2.262 65.644 63.200 0.303 0.000 1.044 281 S HN 0.642 nan 8.310 nan 0.000 0.485 282 L N 2.239 123.518 121.223 0.092 0.000 2.410 282 L HA 0.676 5.018 4.340 0.002 0.000 0.270 282 L C -1.914 174.941 176.870 -0.025 0.000 0.983 282 L CA -0.302 54.565 54.840 0.045 0.000 0.822 282 L CB 1.884 43.977 42.059 0.056 0.000 1.285 282 L HN 0.837 nan 8.230 nan 0.000 0.409 283 D N 4.902 125.239 120.400 -0.104 0.000 2.696 283 D HA 0.279 4.920 4.640 0.002 0.000 0.251 283 D C 0.228 176.313 176.300 -0.358 0.000 1.188 283 D CA -0.423 53.404 54.000 -0.288 0.000 0.876 283 D CB 1.919 42.427 40.800 -0.487 0.000 1.334 283 D HN 0.490 nan 8.370 nan 0.000 0.540 284 M N 1.613 121.073 119.600 -0.233 0.000 2.509 284 M HA 0.023 4.504 4.480 0.002 0.000 0.250 284 M C 0.133 176.415 176.300 -0.030 0.000 1.132 284 M CA 0.290 55.530 55.300 -0.100 0.000 1.080 284 M CB -0.656 31.924 32.600 -0.034 0.000 1.408 284 M HN 0.490 nan 8.290 nan 0.000 0.484 285 H N 0.047 119.130 119.070 0.022 0.000 2.770 285 H HA -0.157 4.401 4.556 0.002 0.000 0.309 285 H C 1.333 176.669 175.328 0.014 0.000 1.206 285 H CA 0.919 56.977 56.048 0.018 0.000 1.147 285 H CB -2.232 27.542 29.762 0.020 0.000 1.422 285 H HN 0.635 nan 8.280 nan 0.000 0.420 286 G N -0.389 108.454 108.800 0.071 0.000 2.196 286 G HA2 -0.374 3.587 3.960 0.002 0.000 0.268 286 G HA3 -0.374 3.587 3.960 0.002 0.000 0.268 286 G C 0.519 175.447 174.900 0.047 0.000 0.975 286 G CA 0.993 46.123 45.100 0.049 0.000 0.648 286 G HN 0.554 nan 8.290 nan 0.000 0.538 287 K N 0.045 120.481 120.400 0.061 0.000 2.202 287 K HA 0.386 4.707 4.320 0.002 0.000 0.264 287 K C 0.804 177.422 176.600 0.030 0.000 1.010 287 K CA -0.615 55.702 56.287 0.050 0.000 0.940 287 K CB 0.896 33.436 32.500 0.067 0.000 0.983 287 K HN 0.317 nan 8.250 nan 0.000 0.475 288 R N 2.878 123.394 120.500 0.025 0.000 2.410 288 R HA 0.194 4.536 4.340 0.002 0.000 0.288 288 R C -2.206 174.104 176.300 0.017 0.000 1.051 288 R CA -1.457 54.653 56.100 0.016 0.000 1.021 288 R CB 0.583 30.893 30.300 0.017 0.000 1.032 288 R HN 0.381 nan 8.270 nan 0.000 0.481 289 P HA 0.084 nan 4.420 nan 0.000 0.272 289 P C -1.271 176.041 177.300 0.019 0.000 1.223 289 P CA -0.162 62.944 63.100 0.010 0.000 0.784 289 P CB 0.775 32.467 31.700 -0.014 0.000 0.923 290 K N 1.107 121.524 120.400 0.029 0.000 2.172 290 K HA 0.475 4.796 4.320 0.002 0.000 0.276 290 K C 0.273 176.894 176.600 0.036 0.000 1.013 290 K CA -0.614 55.693 56.287 0.033 0.000 0.913 290 K CB 1.311 33.834 32.500 0.038 0.000 1.055 290 K HN 0.554 nan 8.250 nan 0.000 0.461 291 A N 2.274 125.112 122.820 0.030 0.000 2.531 291 A HA 0.268 4.589 4.320 0.002 0.000 0.236 291 A C 0.353 177.959 177.584 0.036 0.000 1.062 291 A CA -0.237 51.816 52.037 0.028 0.000 0.760 291 A CB -0.057 18.953 19.000 0.017 0.000 0.995 291 A HN 0.548 nan 8.150 nan 0.000 0.501 292 V N -0.356 119.585 119.914 0.045 0.000 3.102 292 V HA 0.868 4.989 4.120 0.002 0.000 0.312 292 V C -0.117 175.977 176.094 -0.001 0.000 1.135 292 V CA -0.604 61.722 62.300 0.042 0.000 1.022 292 V CB 1.766 33.648 31.823 0.099 0.000 1.056 292 V HN 0.776 nan 8.190 nan 0.000 0.436 293 T N 2.046 116.581 114.554 -0.031 0.000 2.771 293 T HA 0.735 5.086 4.350 0.002 0.000 0.281 293 T C -0.539 174.076 174.700 -0.143 0.000 0.982 293 T CA -0.271 61.787 62.100 -0.069 0.000 0.978 293 T CB 1.308 70.148 68.868 -0.048 0.000 0.930 293 T HN 0.752 nan 8.240 nan 0.000 0.447 294 V N 3.566 123.354 119.914 -0.210 0.000 2.823 294 V HA 0.662 4.783 4.120 0.002 0.000 0.312 294 V C -0.229 175.711 176.094 -0.256 0.000 1.072 294 V CA -1.042 61.023 62.300 -0.391 0.000 0.937 294 V CB 2.303 33.647 31.823 -0.799 0.000 1.013 294 V HN 0.741 nan 8.190 nan 0.000 0.430 295 R N 2.021 122.385 120.500 -0.226 0.000 2.507 295 R HA 0.462 4.804 4.340 0.002 0.000 0.298 295 R C -0.218 176.080 176.300 -0.004 0.000 1.087 295 R CA -0.296 55.756 56.100 -0.080 0.000 0.917 295 R CB 1.563 31.838 30.300 -0.042 0.000 1.173 295 R HN 0.961 nan 8.270 nan 0.000 0.472 296 T N 0.984 115.575 114.554 0.062 0.000 2.926 296 T HA 0.681 5.032 4.350 0.002 0.000 0.307 296 T C 0.184 174.937 174.700 0.089 0.000 1.059 296 T CA -0.120 62.087 62.100 0.179 0.000 1.122 296 T CB 1.605 70.590 68.868 0.194 0.000 0.972 296 T HN 0.674 nan 8.240 nan 0.000 0.545 297 A N 2.774 125.646 122.820 0.086 0.000 2.544 297 A HA 0.718 5.039 4.320 0.002 0.000 0.291 297 A C -3.157 174.445 177.584 0.030 0.000 1.055 297 A CA -1.674 50.381 52.037 0.030 0.000 0.651 297 A CB 0.146 19.157 19.000 0.019 0.000 1.296 297 A HN 0.653 nan 8.150 nan 0.000 0.431 298 P HA 0.248 nan 4.420 nan 0.000 0.268 298 P C -0.315 177.019 177.300 0.058 0.000 1.208 298 P CA 0.370 63.490 63.100 0.034 0.000 0.777 298 P CB 0.152 31.862 31.700 0.016 0.000 0.875 299 H N 4.004 123.069 119.070 -0.008 0.000 3.016 299 H HA 0.004 4.561 4.556 0.002 0.000 0.345 299 H C -1.198 174.126 175.328 -0.007 0.000 1.066 299 H CA -0.611 55.430 56.048 -0.012 0.000 1.390 299 H CB 0.209 29.965 29.762 -0.010 0.000 1.344 299 H HN 0.324 nan 8.280 nan 0.000 0.605 300 P HA 0.122 nan 4.420 nan 0.000 0.255 300 P C -0.397 176.681 177.300 -0.371 0.000 1.357 300 P CA 0.204 62.716 63.100 -0.979 0.000 0.839 300 P CB -0.109 31.174 31.700 -0.696 0.000 1.356 301 A N 0.464 123.187 122.820 -0.162 0.000 2.262 301 A HA 0.252 4.573 4.320 0.002 0.000 0.273 301 A C -0.208 177.384 177.584 0.013 0.000 1.202 301 A CA -0.552 51.461 52.037 -0.039 0.000 0.811 301 A CB -0.543 18.461 19.000 0.005 0.000 1.159 301 A HN 0.177 nan 8.150 nan 0.000 0.505 302 F N 1.754 121.659 119.950 -0.074 0.000 2.571 302 F HA 0.283 4.811 4.527 0.002 0.000 0.384 302 F C -1.666 174.111 175.800 -0.039 0.000 1.058 302 F CA -1.504 56.441 58.000 -0.090 0.000 1.200 302 F CB 0.601 39.511 39.000 -0.150 0.000 1.077 302 F HN 0.253 nan 8.300 nan 0.000 0.558 303 P HA -0.011 nan 4.420 nan 0.000 0.276 303 P C 0.284 177.552 177.300 -0.054 0.000 1.235 303 P CA -0.090 62.900 63.100 -0.183 0.000 0.772 303 P CB 1.559 33.133 31.700 -0.210 0.000 0.871 304 T N 2.178 116.802 114.554 0.117 0.000 2.881 304 T HA -0.141 4.210 4.350 0.002 0.000 0.270 304 T C 1.709 176.513 174.700 0.173 0.000 1.068 304 T CA 1.635 63.863 62.100 0.213 0.000 1.131 304 T CB -0.582 68.439 68.868 0.255 0.000 0.871 304 T HN 0.441 nan 8.240 nan 0.000 0.479 305 A N 0.530 123.407 122.820 0.095 0.000 2.216 305 A HA 0.166 4.487 4.320 0.002 0.000 0.214 305 A C 2.036 179.651 177.584 0.052 0.000 1.160 305 A CA 0.886 52.958 52.037 0.057 0.000 0.725 305 A CB -0.335 18.680 19.000 0.025 0.000 0.784 305 A HN 0.504 nan 8.150 nan 0.000 0.472 306 M N -1.230 118.395 119.600 0.043 0.000 2.308 306 M HA 0.085 4.566 4.480 0.002 0.000 0.269 306 M C 1.827 178.375 176.300 0.413 0.000 1.040 306 M CA 0.341 55.717 55.300 0.127 0.000 1.024 306 M CB -0.162 32.351 32.600 -0.145 0.000 1.465 306 M HN 0.602 nan 8.290 nan 0.000 0.517 307 Q N 1.090 121.145 119.800 0.425 0.000 2.061 307 Q HA -0.152 4.189 4.340 0.002 0.000 0.204 307 Q C 1.751 177.930 176.000 0.300 0.000 0.984 307 Q CA 2.299 58.378 55.803 0.459 0.000 0.846 307 Q CB 0.014 28.980 28.738 0.380 0.000 0.902 307 Q HN 0.455 nan 8.270 nan 0.000 0.421 308 A N 0.603 123.460 122.820 0.061 0.000 1.883 308 A HA -0.264 4.057 4.320 0.002 0.000 0.217 308 A C 2.015 179.547 177.584 -0.087 0.000 1.186 308 A CA 1.913 53.732 52.037 -0.363 0.000 0.624 308 A CB -0.611 17.997 19.000 -0.653 0.000 0.822 308 A HN 0.506 nan 8.150 nan 0.000 0.444 309 Q N -1.258 118.570 119.800 0.048 0.000 2.084 309 Q HA -0.095 4.246 4.340 0.002 0.000 0.202 309 Q C 1.634 177.684 176.000 0.085 0.000 0.978 309 Q CA 1.696 57.534 55.803 0.057 0.000 0.844 309 Q CB -0.453 28.339 28.738 0.090 0.000 0.898 309 Q HN 0.694 nan 8.270 nan 0.000 0.426 310 F N -0.102 119.926 119.950 0.130 0.000 2.456 310 F HA -0.071 4.457 4.527 0.002 0.000 0.298 310 F C 2.075 177.915 175.800 0.066 0.000 1.104 310 F CA 1.005 59.078 58.000 0.121 0.000 1.435 310 F CB -0.181 38.925 39.000 0.176 0.000 1.078 310 F HN 0.015 nan 8.300 nan 0.000 0.546 311 T N 0.460 115.158 114.554 0.238 0.000 2.777 311 T HA -0.182 4.169 4.350 0.002 0.000 0.266 311 T C 2.030 176.786 174.700 0.094 0.000 1.040 311 T CA 1.266 63.472 62.100 0.177 0.000 1.141 311 T CB -0.489 68.584 68.868 0.342 0.000 0.868 311 T HN 0.151 nan 8.240 nan 0.000 0.444 312 L N 1.379 122.647 121.223 0.076 0.000 1.994 312 L HA 0.048 4.389 4.340 0.002 0.000 0.208 312 L C 2.234 179.089 176.870 -0.025 0.000 1.071 312 L CA 1.547 56.397 54.840 0.018 0.000 0.745 312 L CB -0.946 41.107 42.059 -0.011 0.000 0.892 312 L HN 0.258 nan 8.230 nan 0.000 0.431 313 L N -0.328 120.851 121.223 -0.073 0.000 2.013 313 L HA -0.295 4.046 4.340 0.002 0.000 0.212 313 L C 2.260 179.102 176.870 -0.047 0.000 1.073 313 L CA 1.951 56.722 54.840 -0.114 0.000 0.753 313 L CB -0.557 41.334 42.059 -0.281 0.000 0.890 313 L HN 0.417 nan 8.230 nan 0.000 0.432 314 N N -0.093 118.602 118.700 -0.009 0.000 2.188 314 N HA -0.143 4.598 4.740 0.002 0.000 0.184 314 N C 1.806 177.310 175.510 -0.009 0.000 1.018 314 N CA 1.340 54.391 53.050 0.001 0.000 0.858 314 N CB -0.355 38.135 38.487 0.005 0.000 0.989 314 N HN 0.374 nan 8.380 nan 0.000 0.426 315 L N 0.414 121.630 121.223 -0.011 0.000 2.456 315 L HA -0.043 4.298 4.340 0.002 0.000 0.224 315 L C 1.299 178.169 176.870 -0.001 0.000 1.148 315 L CA 0.573 55.407 54.840 -0.010 0.000 0.825 315 L CB -0.051 41.997 42.059 -0.019 0.000 0.937 315 L HN 0.087 nan 8.230 nan 0.000 0.450 316 V N -4.869 115.041 119.914 -0.006 0.000 3.159 316 V HA 0.553 4.674 4.120 0.002 0.000 0.333 316 V C 0.591 176.686 176.094 0.003 0.000 1.424 316 V CA -0.277 62.022 62.300 -0.002 0.000 1.125 316 V CB -0.159 31.655 31.823 -0.015 0.000 1.075 316 V HN 0.089 nan 8.190 nan 0.000 0.482 317 A N 0.594 123.418 122.820 0.007 0.000 2.256 317 A HA 0.793 5.114 4.320 0.002 0.000 0.318 317 A C -0.114 177.484 177.584 0.024 0.000 1.103 317 A CA -0.546 51.498 52.037 0.011 0.000 0.860 317 A CB 1.158 20.164 19.000 0.009 0.000 1.182 317 A HN 0.460 nan 8.150 nan 0.000 0.501 318 E N -0.123 120.092 120.200 0.025 0.000 2.105 318 E HA 0.485 4.836 4.350 0.002 0.000 0.285 318 E C 0.400 177.019 176.600 0.032 0.000 1.055 318 E CA 1.272 57.690 56.400 0.030 0.000 0.843 318 E CB -0.111 29.604 29.700 0.026 0.000 1.067 318 E HN 1.599 nan 8.360 nan 0.000 0.398 319 G N 2.699 111.524 108.800 0.041 0.000 2.373 319 G HA2 -0.107 3.854 3.960 0.002 0.000 0.634 319 G HA3 -0.107 3.854 3.960 0.002 0.000 0.634 319 G C -0.743 174.188 174.900 0.052 0.000 1.267 319 G CA -0.500 44.626 45.100 0.044 0.000 1.008 319 G HN 0.468 nan 8.290 nan 0.000 0.497 320 T N 1.215 115.796 114.554 0.046 0.000 2.770 320 T HA 0.631 4.982 4.350 0.002 0.000 0.297 320 T C 0.666 175.349 174.700 -0.028 0.000 0.997 320 T CA 0.533 62.646 62.100 0.021 0.000 0.949 320 T CB 1.071 69.982 68.868 0.071 0.000 0.941 320 T HN 1.378 nan 8.240 nan 0.000 0.457 321 G N 1.849 110.610 108.800 -0.065 0.000 2.371 321 G HA2 0.597 4.558 3.960 0.002 0.000 0.326 321 G HA3 0.597 4.558 3.960 0.002 0.000 0.326 321 G C -0.930 173.914 174.900 -0.094 0.000 1.127 321 G CA -0.464 44.602 45.100 -0.056 0.000 0.885 321 G HN 0.622 nan 8.290 nan 0.000 0.477 322 V N 2.968 122.838 119.914 -0.073 0.000 2.444 322 V HA 0.442 4.563 4.120 0.002 0.000 0.294 322 V C -0.256 175.795 176.094 -0.072 0.000 1.022 322 V CA -0.544 61.707 62.300 -0.081 0.000 0.850 322 V CB 1.454 33.241 31.823 -0.059 0.000 0.992 322 V HN 0.624 nan 8.190 nan 0.000 0.426 323 I N 3.468 123.998 120.570 -0.067 0.000 2.406 323 I HA 0.466 4.638 4.170 0.002 0.000 0.290 323 I C -0.113 176.048 176.117 0.074 0.000 0.999 323 I CA -0.188 61.095 61.300 -0.027 0.000 1.124 323 I CB 2.215 40.219 38.000 0.006 0.000 1.289 323 I HN 0.492 nan 8.210 nan 0.000 0.441 324 T N 4.434 119.027 114.554 0.065 0.000 2.791 324 T HA 0.239 4.590 4.350 0.002 0.000 0.288 324 T C -0.415 174.355 174.700 0.116 0.000 0.999 324 T CA -0.424 61.748 62.100 0.120 0.000 0.952 324 T CB 1.126 70.023 68.868 0.048 0.000 0.938 324 T HN 0.437 nan 8.240 nan 0.000 0.444 325 E N 2.221 122.511 120.200 0.150 0.000 2.115 325 E HA 0.350 4.701 4.350 0.002 0.000 0.282 325 E C 0.931 177.519 176.600 -0.021 0.000 0.987 325 E CA -0.484 55.940 56.400 0.040 0.000 0.797 325 E CB 0.711 30.335 29.700 -0.127 0.000 1.086 325 E HN 0.632 nan 8.360 nan 0.000 0.397 326 T N 2.094 116.637 114.554 -0.017 0.000 3.044 326 T HA 0.193 4.544 4.350 0.002 0.000 0.260 326 T C 1.101 175.734 174.700 -0.112 0.000 1.019 326 T CA -0.174 61.895 62.100 -0.052 0.000 0.921 326 T CB -0.004 68.844 68.868 -0.035 0.000 1.053 326 T HN 0.392 nan 8.240 nan 0.000 0.533 327 I N -0.107 120.373 120.570 -0.150 0.000 2.729 327 I HA 0.396 4.567 4.170 0.002 0.000 0.256 327 I C 0.089 175.848 176.117 -0.597 0.000 1.115 327 I CA 0.025 61.099 61.300 -0.378 0.000 1.446 327 I CB -0.611 37.139 38.000 -0.417 0.000 1.176 327 I HN 0.202 nan 8.210 nan 0.000 0.446 328 F N 2.488 122.397 119.950 -0.067 0.000 2.467 328 F HA 0.238 4.766 4.527 0.002 0.000 0.336 328 F C 1.605 177.323 175.800 -0.136 0.000 1.123 328 F CA -0.792 57.157 58.000 -0.085 0.000 0.964 328 F CB 1.196 40.151 39.000 -0.075 0.000 1.136 328 F HN 0.014 nan 8.300 nan 0.000 0.447 329 E N 0.963 121.196 120.200 0.055 0.000 2.265 329 E HA -0.232 4.119 4.350 0.002 0.000 0.196 329 E C 0.025 176.583 176.600 -0.070 0.000 0.996 329 E CA 1.240 57.624 56.400 -0.028 0.000 0.832 329 E CB -0.184 29.511 29.700 -0.008 0.000 0.756 329 E HN 0.565 nan 8.360 nan 0.000 0.491 330 N N 0.091 118.766 118.700 -0.042 0.000 2.679 330 N HA 0.136 4.877 4.740 0.002 0.000 0.302 330 N C -0.799 174.664 175.510 -0.079 0.000 1.941 330 N CA -0.274 52.734 53.050 -0.070 0.000 0.875 330 N CB 0.446 38.920 38.487 -0.021 0.000 1.278 330 N HN -0.034 nan 8.380 nan 0.000 0.490 331 R N 0.779 121.171 120.500 -0.180 0.000 3.130 331 R HA 0.326 4.667 4.340 0.002 0.000 0.348 331 R C -0.549 175.829 176.300 0.130 0.000 1.241 331 R CA -0.014 56.052 56.100 -0.056 0.000 1.141 331 R CB -0.209 30.081 30.300 -0.017 0.000 1.453 331 R HN 0.329 nan 8.270 nan 0.000 0.590 332 F N -0.301 119.699 119.950 0.083 0.000 2.775 332 F HA 0.158 4.686 4.527 0.001 0.000 0.313 332 F C 1.310 176.990 175.800 -0.199 0.000 1.121 332 F CA -0.488 57.458 58.000 -0.090 0.000 1.206 332 F CB 0.697 39.642 39.000 -0.091 0.000 1.052 332 F HN 0.094 nan 8.300 nan 0.000 0.524 333 M N 0.231 119.923 119.600 0.153 0.000 2.358 333 M HA -0.191 4.290 4.480 0.002 0.000 0.264 333 M C 2.368 178.694 176.300 0.043 0.000 1.064 333 M CA 1.344 56.687 55.300 0.070 0.000 1.093 333 M CB -0.562 32.071 32.600 0.055 0.000 1.401 333 M HN 0.315 nan 8.290 nan 0.000 0.440 334 H N -1.197 117.897 119.070 0.041 0.000 2.470 334 H HA 0.056 4.613 4.556 0.002 0.000 0.289 334 H C 2.066 177.396 175.328 0.003 0.000 1.033 334 H CA 0.972 57.025 56.048 0.009 0.000 1.331 334 H CB -1.229 28.541 29.762 0.014 0.000 1.414 334 H HN 0.213 nan 8.280 nan 0.000 0.545 335 V N 2.539 122.166 119.914 -0.478 0.000 2.252 335 V HA -0.200 3.922 4.120 0.002 0.000 0.249 335 V C -0.252 175.758 176.094 -0.139 0.000 1.056 335 V CA 2.477 64.588 62.300 -0.315 0.000 1.022 335 V CB -1.424 30.173 31.823 -0.377 0.000 0.641 335 V HN 0.408 nan 8.190 nan 0.000 0.445 336 P HA -0.112 nan 4.420 nan 0.000 0.218 336 P C 1.551 178.829 177.300 -0.037 0.000 1.148 336 P CA 1.132 64.201 63.100 -0.052 0.000 0.822 336 P CB -0.009 31.673 31.700 -0.031 0.000 0.784 337 E N -0.467 119.717 120.200 -0.027 0.000 2.072 337 E HA -0.055 4.296 4.350 0.002 0.000 0.190 337 E C 2.114 178.703 176.600 -0.018 0.000 0.982 337 E CA 0.907 57.299 56.400 -0.013 0.000 0.803 337 E CB -0.929 28.773 29.700 0.004 0.000 0.755 337 E HN 0.313 nan 8.360 nan 0.000 0.453 338 L N 0.580 121.792 121.223 -0.019 0.000 2.141 338 L HA -0.099 4.242 4.340 0.002 0.000 0.209 338 L C 2.479 179.315 176.870 -0.057 0.000 1.094 338 L CA 0.630 55.454 54.840 -0.027 0.000 0.763 338 L CB -0.333 41.719 42.059 -0.013 0.000 0.908 338 L HN 0.074 nan 8.230 nan 0.000 0.437 339 I N -0.501 120.032 120.570 -0.063 0.000 2.361 339 I HA -0.276 3.895 4.170 0.002 0.000 0.251 339 I C 2.627 178.703 176.117 -0.068 0.000 1.133 339 I CA 1.097 62.351 61.300 -0.077 0.000 1.413 339 I CB -0.239 37.729 38.000 -0.053 0.000 1.073 339 I HN 0.208 nan 8.210 nan 0.000 0.424 340 R N 0.229 120.702 120.500 -0.044 0.000 2.152 340 R HA -0.071 4.270 4.340 0.002 0.000 0.232 340 R C 1.836 178.112 176.300 -0.039 0.000 1.117 340 R CA 1.118 57.198 56.100 -0.033 0.000 0.981 340 R CB -0.127 30.161 30.300 -0.019 0.000 0.870 340 R HN 0.353 nan 8.270 nan 0.000 0.451 341 M N -0.688 118.883 119.600 -0.048 0.000 2.568 341 M HA 0.146 4.627 4.480 0.002 0.000 0.226 341 M C 0.635 176.889 176.300 -0.076 0.000 1.148 341 M CA 0.431 55.702 55.300 -0.048 0.000 1.007 341 M CB 1.192 33.770 32.600 -0.037 0.000 1.651 341 M HN 0.422 nan 8.290 nan 0.000 0.488 342 G N 0.285 109.017 108.800 -0.113 0.000 2.176 342 G HA2 -0.187 3.774 3.960 0.002 0.000 0.232 342 G HA3 -0.187 3.774 3.960 0.002 0.000 0.232 342 G C 0.228 174.908 174.900 -0.367 0.000 0.986 342 G CA -0.059 44.925 45.100 -0.193 0.000 0.643 342 G HN 0.659 nan 8.290 nan 0.000 0.522 343 A N 0.314 122.975 122.820 -0.266 0.000 2.386 343 A HA 0.620 4.941 4.320 0.002 0.000 0.246 343 A C 0.170 177.518 177.584 -0.393 0.000 1.089 343 A CA 0.153 52.031 52.037 -0.265 0.000 0.790 343 A CB 0.252 19.180 19.000 -0.120 0.000 1.042 343 A HN 0.569 nan 8.150 nan 0.000 0.497 344 H N -0.346 118.739 119.070 0.024 0.000 2.744 344 H HA 0.675 5.232 4.556 0.002 0.000 0.339 344 H C -0.276 175.093 175.328 0.068 0.000 1.004 344 H CA 0.396 56.483 56.048 0.065 0.000 1.257 344 H CB 1.427 31.255 29.762 0.109 0.000 1.552 344 H HN 0.998 nan 8.280 nan 0.000 0.522 345 A N 2.774 125.686 122.820 0.152 0.000 2.597 345 A HA 0.578 4.899 4.320 0.002 0.000 0.292 345 A C -1.328 176.259 177.584 0.006 0.000 1.057 345 A CA -0.838 51.208 52.037 0.015 0.000 0.674 345 A CB 1.786 20.721 19.000 -0.108 0.000 1.278 345 A HN 0.530 nan 8.150 nan 0.000 0.416 346 E N 0.203 120.376 120.200 -0.045 0.000 2.266 346 E HA 0.662 5.013 4.350 0.002 0.000 0.268 346 E C -1.186 175.354 176.600 -0.099 0.000 0.879 346 E CA -0.276 56.105 56.400 -0.032 0.000 0.762 346 E CB 2.200 31.917 29.700 0.028 0.000 1.199 346 E HN 0.523 nan 8.360 nan 0.000 0.422 347 I N 2.318 122.841 120.570 -0.078 0.000 2.321 347 I HA 0.269 4.441 4.170 0.002 0.000 0.291 347 I C -0.353 175.767 176.117 0.005 0.000 0.998 347 I CA -0.604 60.650 61.300 -0.077 0.000 1.227 347 I CB 1.078 39.059 38.000 -0.031 0.000 1.368 347 I HN 0.238 nan 8.210 nan 0.000 0.466 348 E N 5.335 125.550 120.200 0.024 0.000 2.207 348 E HA 0.323 4.674 4.350 0.002 0.000 0.250 348 E C 0.083 176.733 176.600 0.083 0.000 0.890 348 E CA -0.080 56.347 56.400 0.044 0.000 0.749 348 E CB 1.538 31.253 29.700 0.025 0.000 1.193 348 E HN 0.736 nan 8.360 nan 0.000 0.423 349 S N 3.801 119.554 115.700 0.088 0.000 4.114 349 S HA -0.295 4.177 4.470 0.002 0.000 0.618 349 S C 0.686 175.381 174.600 0.158 0.000 1.937 349 S CA 1.769 60.023 58.200 0.090 0.000 4.228 349 S CB -1.061 62.175 63.200 0.059 0.000 0.216 349 S HN 0.725 nan 8.310 nan 0.000 0.528 350 N N 2.231 121.013 118.700 0.137 0.000 2.327 350 N HA 0.226 4.967 4.740 0.002 0.000 0.231 350 N C -0.110 175.612 175.510 0.353 0.000 1.130 350 N CA 0.864 54.014 53.050 0.167 0.000 0.845 350 N CB 0.175 38.676 38.487 0.023 0.000 1.073 350 N HN 0.869 nan 8.380 nan 0.000 0.496 351 T N -1.913 112.864 114.554 0.371 0.000 2.933 351 T HA 0.519 4.870 4.350 0.002 0.000 0.305 351 T C -0.934 173.752 174.700 -0.025 0.000 1.092 351 T CA -0.660 61.585 62.100 0.242 0.000 1.008 351 T CB 1.709 70.635 68.868 0.096 0.000 1.102 351 T HN -0.030 nan 8.240 nan 0.000 0.469 352 V N 3.288 123.033 119.914 -0.281 0.000 2.398 352 V HA 0.589 4.710 4.120 0.002 0.000 0.286 352 V C -0.097 175.844 176.094 -0.255 0.000 1.026 352 V CA -1.148 60.894 62.300 -0.429 0.000 0.868 352 V CB 1.093 32.502 31.823 -0.690 0.000 0.982 352 V HN 0.807 nan 8.190 nan 0.000 0.443 353 I N 3.390 123.825 120.570 -0.226 0.000 2.312 353 I HA 0.337 4.508 4.170 0.002 0.000 0.291 353 I C 0.143 176.004 176.117 -0.426 0.000 1.031 353 I CA 0.001 61.146 61.300 -0.259 0.000 1.293 353 I CB 0.724 38.618 38.000 -0.177 0.000 1.403 353 I HN 0.654 nan 8.210 nan 0.000 0.484 354 C N 6.295 125.343 119.300 -0.419 0.000 2.341 354 C HA 0.440 4.901 4.460 0.002 0.000 0.338 354 C C 0.355 175.044 174.990 -0.501 0.000 1.257 354 C CA -0.554 58.235 59.018 -0.382 0.000 1.883 354 C CB 0.408 28.041 27.740 -0.178 0.000 2.334 354 C HN 0.611 nan 8.230 nan 0.000 0.524 355 H N 1.480 120.565 119.070 0.025 0.000 2.736 355 H HA 0.285 4.842 4.556 0.002 0.000 0.271 355 H C 0.622 175.991 175.328 0.069 0.000 1.184 355 H CA -0.058 56.014 56.048 0.039 0.000 1.378 355 H CB 0.783 30.567 29.762 0.036 0.000 1.428 355 H HN 0.949 nan 8.280 nan 0.000 0.500 356 G N 1.713 110.578 108.800 0.109 0.000 2.474 356 G HA2 0.253 4.214 3.960 0.002 0.000 0.233 356 G HA3 0.253 4.214 3.960 0.002 0.000 0.233 356 G C 0.448 175.414 174.900 0.111 0.000 1.278 356 G CA 0.011 45.160 45.100 0.082 0.000 0.861 356 G HN 0.433 nan 8.290 nan 0.000 0.567 357 V N -0.072 119.893 119.914 0.086 0.000 3.001 357 V HA 0.653 4.774 4.120 0.002 0.000 0.314 357 V C 1.079 177.199 176.094 0.044 0.000 1.099 357 V CA -0.481 61.872 62.300 0.088 0.000 0.989 357 V CB 1.953 33.833 31.823 0.095 0.000 1.040 357 V HN 0.719 nan 8.190 nan 0.000 0.434 358 E N 2.117 122.341 120.200 0.040 0.000 2.023 358 E HA -0.071 4.280 4.350 0.002 0.000 0.196 358 E C 0.770 177.378 176.600 0.013 0.000 1.003 358 E CA 2.161 58.575 56.400 0.024 0.000 0.809 358 E CB 0.049 29.762 29.700 0.023 0.000 0.755 358 E HN 0.803 nan 8.360 nan 0.000 0.449 359 K N -1.122 119.284 120.400 0.009 0.000 2.480 359 K HA 0.477 4.798 4.320 0.002 0.000 0.258 359 K C -1.222 175.370 176.600 -0.013 0.000 0.990 359 K CA -0.782 55.504 56.287 -0.002 0.000 0.857 359 K CB 1.036 33.536 32.500 -0.000 0.000 1.384 359 K HN 0.082 nan 8.250 nan 0.000 0.446 360 L N 0.976 122.187 121.223 -0.020 0.000 2.334 360 L HA 0.488 4.829 4.340 0.002 0.000 0.270 360 L C -0.478 176.378 176.870 -0.024 0.000 1.018 360 L CA -0.939 53.882 54.840 -0.032 0.000 0.811 360 L CB 2.144 44.183 42.059 -0.033 0.000 1.271 360 L HN 0.582 nan 8.230 nan 0.000 0.443 361 S N 0.009 115.692 115.700 -0.028 0.000 2.454 361 S HA 0.487 4.958 4.470 0.002 0.000 0.306 361 S C 0.182 174.772 174.600 -0.017 0.000 1.100 361 S CA -0.693 57.495 58.200 -0.019 0.000 1.087 361 S CB 1.661 64.850 63.200 -0.019 0.000 1.019 361 S HN 0.771 nan 8.310 nan 0.000 0.480 362 G N 1.526 110.320 108.800 -0.010 0.000 2.484 362 G HA2 0.503 4.465 3.960 0.002 0.000 0.235 362 G HA3 0.503 4.465 3.960 0.002 0.000 0.235 362 G C -0.172 174.725 174.900 -0.005 0.000 1.282 362 G CA 0.196 45.292 45.100 -0.006 0.000 0.857 362 G HN 1.034 nan 8.290 nan 0.000 0.571 363 A N 1.608 124.426 122.820 -0.002 0.000 2.511 363 A HA 0.652 4.973 4.320 0.002 0.000 0.293 363 A C -0.714 176.873 177.584 0.004 0.000 1.098 363 A CA -0.773 51.264 52.037 -0.001 0.000 0.643 363 A CB 0.744 19.740 19.000 -0.006 0.000 1.302 363 A HN 0.644 nan 8.150 nan 0.000 0.446 364 Q N 0.556 120.359 119.800 0.006 0.000 2.314 364 Q HA 0.497 4.838 4.340 0.002 0.000 0.257 364 Q C -0.167 175.837 176.000 0.006 0.000 0.975 364 Q CA -0.485 55.324 55.803 0.010 0.000 0.933 364 Q CB 1.342 30.087 28.738 0.012 0.000 1.195 364 Q HN 0.914 nan 8.270 nan 0.000 0.426 365 V N -0.102 119.817 119.914 0.007 0.000 3.046 365 V HA 0.702 4.824 4.120 0.002 0.000 0.316 365 V C -0.674 175.421 176.094 0.000 0.000 1.104 365 V CA -1.289 61.013 62.300 0.002 0.000 1.006 365 V CB 2.226 34.049 31.823 -0.000 0.000 1.058 365 V HN 0.823 nan 8.190 nan 0.000 0.440 366 M N 2.743 122.341 119.600 -0.004 0.000 2.190 366 M HA 0.792 5.273 4.480 0.002 0.000 0.312 366 M C -0.087 176.194 176.300 -0.032 0.000 0.990 366 M CA -0.619 54.675 55.300 -0.009 0.000 0.927 366 M CB 1.465 34.067 32.600 0.004 0.000 1.571 366 M HN 1.211 nan 8.290 nan 0.000 0.427 367 A N 2.893 125.679 122.820 -0.056 0.000 2.477 367 A HA 0.420 4.741 4.320 0.002 0.000 0.246 367 A C 0.843 178.315 177.584 -0.185 0.000 1.078 367 A CA 0.248 52.214 52.037 -0.118 0.000 0.770 367 A CB -0.047 18.875 19.000 -0.129 0.000 1.011 367 A HN 0.959 nan 8.150 nan 0.000 0.494 368 T N -1.553 112.816 114.554 -0.307 0.000 2.959 368 T HA 0.366 4.718 4.350 0.002 0.000 0.254 368 T C 0.004 174.275 174.700 -0.714 0.000 1.003 368 T CA 0.640 62.525 62.100 -0.357 0.000 0.950 368 T CB -0.392 68.390 68.868 -0.144 0.000 1.090 368 T HN 0.876 nan 8.240 nan 0.000 0.503 369 D N -0.819 119.116 120.400 -0.775 0.000 2.692 369 D HA 0.379 5.020 4.640 0.002 0.000 0.290 369 D C 0.676 176.754 176.300 -0.369 0.000 1.281 369 D CA -0.931 52.694 54.000 -0.625 0.000 0.804 369 D CB 0.663 41.289 40.800 -0.290 0.000 1.331 369 D HN -0.106 nan 8.370 nan 0.000 0.432 370 L N 0.516 121.652 121.223 -0.146 0.000 1.963 370 L HA -0.112 4.229 4.340 0.002 0.000 0.220 370 L C 1.981 178.863 176.870 0.020 0.000 1.076 370 L CA 1.919 56.758 54.840 -0.003 0.000 0.772 370 L CB -0.672 41.408 42.059 0.036 0.000 0.892 370 L HN 0.489 nan 8.230 nan 0.000 0.435 371 R N -0.029 120.466 120.500 -0.007 0.000 2.148 371 R HA 0.044 4.385 4.340 0.002 0.000 0.227 371 R C 2.166 178.408 176.300 -0.096 0.000 1.103 371 R CA 1.181 57.282 56.100 0.003 0.000 0.983 371 R CB -1.475 28.819 30.300 -0.010 0.000 0.874 371 R HN 0.584 nan 8.270 nan 0.000 0.451 372 A N 1.362 124.098 122.820 -0.139 0.000 1.898 372 A HA -0.168 4.153 4.320 0.002 0.000 0.216 372 A C 2.368 179.881 177.584 -0.117 0.000 1.181 372 A CA 1.877 53.827 52.037 -0.145 0.000 0.620 372 A CB -0.581 18.371 19.000 -0.081 0.000 0.819 372 A HN 0.444 nan 8.150 nan 0.000 0.442 373 S N 0.432 116.048 115.700 -0.139 0.000 2.370 373 S HA -0.050 4.421 4.470 0.002 0.000 0.226 373 S C 2.096 176.611 174.600 -0.142 0.000 1.033 373 S CA 1.529 59.648 58.200 -0.135 0.000 1.011 373 S CB -0.745 62.371 63.200 -0.141 0.000 0.852 373 S HN 0.937 nan 8.310 nan 0.000 0.457 374 A N 1.484 124.191 122.820 -0.187 0.000 1.930 374 A HA 0.049 4.370 4.320 0.002 0.000 0.217 374 A C 2.460 179.924 177.584 -0.201 0.000 1.175 374 A CA 1.726 53.579 52.037 -0.308 0.000 0.627 374 A CB -1.138 17.551 19.000 -0.519 0.000 0.815 374 A HN 0.569 nan 8.150 nan 0.000 0.443 375 S N -0.035 115.579 115.700 -0.144 0.000 2.368 375 S HA -0.066 4.405 4.470 0.002 0.000 0.224 375 S C 1.799 176.360 174.600 -0.065 0.000 1.029 375 S CA 1.369 59.507 58.200 -0.103 0.000 0.988 375 S CB -0.423 62.712 63.200 -0.109 0.000 0.838 375 S HN 0.525 nan 8.310 nan 0.000 0.462 376 L N 1.016 122.208 121.223 -0.051 0.000 2.141 376 L HA -0.061 4.280 4.340 0.002 0.000 0.209 376 L C 2.272 179.132 176.870 -0.017 0.000 1.094 376 L CA 0.743 55.569 54.840 -0.023 0.000 0.763 376 L CB -0.628 41.419 42.059 -0.019 0.000 0.908 376 L HN 0.209 nan 8.230 nan 0.000 0.437 377 V N 0.128 120.027 119.914 -0.025 0.000 2.358 377 V HA -0.255 3.866 4.120 0.002 0.000 0.246 377 V C 2.391 178.470 176.094 -0.025 0.000 1.047 377 V CA 1.437 63.745 62.300 0.015 0.000 1.035 377 V CB -0.250 31.605 31.823 0.054 0.000 0.658 377 V HN 0.340 nan 8.190 nan 0.000 0.452 378 L N 0.038 121.221 121.223 -0.066 0.000 2.083 378 L HA -0.158 4.183 4.340 0.002 0.000 0.209 378 L C 2.747 179.592 176.870 -0.042 0.000 1.083 378 L CA 1.479 56.279 54.840 -0.066 0.000 0.752 378 L CB -0.848 41.153 42.059 -0.095 0.000 0.899 378 L HN 0.374 nan 8.230 nan 0.000 0.433 379 A N 0.562 123.361 122.820 -0.035 0.000 1.883 379 A HA -0.165 4.156 4.320 0.002 0.000 0.217 379 A C 2.418 179.991 177.584 -0.018 0.000 1.186 379 A CA 1.859 53.881 52.037 -0.025 0.000 0.624 379 A CB -1.307 17.683 19.000 -0.017 0.000 0.822 379 A HN 0.443 nan 8.150 nan 0.000 0.444 380 G N -1.082 107.712 108.800 -0.011 0.000 2.442 380 G HA2 -0.265 3.696 3.960 0.002 0.000 0.219 380 G HA3 -0.265 3.696 3.960 0.002 0.000 0.219 380 G C 1.543 176.436 174.900 -0.013 0.000 1.141 380 G CA 1.292 46.389 45.100 -0.006 0.000 0.763 380 G HN 0.533 nan 8.290 nan 0.000 0.554 381 C N 0.687 119.976 119.300 -0.018 0.000 2.425 381 C HA 0.023 4.484 4.460 0.002 0.000 0.277 381 C C 2.648 177.628 174.990 -0.017 0.000 1.280 381 C CA 0.925 59.931 59.018 -0.020 0.000 1.744 381 C CB -0.861 26.866 27.740 -0.021 0.000 1.989 381 C HN 0.663 nan 8.230 nan 0.000 0.491 382 I N -1.083 119.476 120.570 -0.018 0.000 3.968 382 I HA 0.372 4.543 4.170 0.002 0.000 0.328 382 I C 1.044 177.152 176.117 -0.014 0.000 1.290 382 I CA -0.098 61.193 61.300 -0.016 0.000 1.163 382 I CB -0.408 37.580 38.000 -0.019 0.000 1.024 382 I HN 0.072 nan 8.210 nan 0.000 0.413 383 A N 1.776 124.587 122.820 -0.015 0.000 2.346 383 A HA 0.289 4.610 4.320 0.002 0.000 0.252 383 A C -0.047 177.531 177.584 -0.011 0.000 1.089 383 A CA -0.167 51.862 52.037 -0.014 0.000 0.797 383 A CB 0.292 19.284 19.000 -0.014 0.000 1.047 383 A HN 0.419 nan 8.150 nan 0.000 0.494 384 E N 0.078 120.272 120.200 -0.010 0.000 2.105 384 E HA 0.484 4.835 4.350 0.002 0.000 0.285 384 E C 0.623 177.220 176.600 -0.006 0.000 1.055 384 E CA 1.305 57.700 56.400 -0.007 0.000 0.843 384 E CB -0.111 29.586 29.700 -0.005 0.000 1.067 384 E HN 1.554 nan 8.360 nan 0.000 0.398 385 G N 3.030 111.827 108.800 -0.006 0.000 2.416 385 G HA2 -0.151 3.811 3.960 0.002 0.000 0.203 385 G HA3 -0.151 3.811 3.960 0.002 0.000 0.203 385 G C -0.628 174.270 174.900 -0.004 0.000 1.227 385 G CA -0.399 44.698 45.100 -0.004 0.000 1.041 385 G HN 0.570 nan 8.290 nan 0.000 0.546 386 T N 1.409 115.962 114.554 -0.001 0.000 2.767 386 T HA 0.675 5.026 4.350 0.002 0.000 0.284 386 T C -0.106 174.597 174.700 0.005 0.000 0.973 386 T CA 0.302 62.403 62.100 0.001 0.000 0.996 386 T CB 1.459 70.329 68.868 0.004 0.000 0.927 386 T HN 0.722 nan 8.240 nan 0.000 0.456 387 T N 2.713 117.272 114.554 0.009 0.000 2.829 387 T HA 0.567 4.918 4.350 0.002 0.000 0.280 387 T C -0.524 174.195 174.700 0.030 0.000 0.999 387 T CA -0.540 61.569 62.100 0.015 0.000 0.983 387 T CB 1.342 70.217 68.868 0.012 0.000 0.968 387 T HN 0.317 nan 8.240 nan 0.000 0.446 388 V N 3.611 123.545 119.914 0.033 0.000 2.376 388 V HA 0.364 4.485 4.120 0.002 0.000 0.287 388 V C -0.287 175.834 176.094 0.045 0.000 1.015 388 V CA -0.791 61.538 62.300 0.048 0.000 0.834 388 V CB 1.676 33.522 31.823 0.038 0.000 1.001 388 V HN 0.727 nan 8.190 nan 0.000 0.428 389 V N 3.955 123.909 119.914 0.066 0.000 2.334 389 V HA 0.283 4.404 4.120 0.002 0.000 0.267 389 V C 0.083 176.176 176.094 -0.001 0.000 1.040 389 V CA -0.375 61.943 62.300 0.030 0.000 0.866 389 V CB 1.271 33.115 31.823 0.036 0.000 1.019 389 V HN 0.904 nan 8.190 nan 0.000 0.468 390 D N 3.870 124.267 120.400 -0.005 0.000 2.313 390 D HA 0.357 4.998 4.640 0.002 0.000 0.247 390 D C 0.752 177.028 176.300 -0.039 0.000 1.094 390 D CA -0.153 53.843 54.000 -0.006 0.000 0.925 390 D CB 0.479 41.289 40.800 0.015 0.000 1.188 390 D HN 0.493 nan 8.370 nan 0.000 0.430 391 R N 1.518 122.002 120.500 -0.026 0.000 3.423 391 R HA -0.183 4.158 4.340 0.002 0.000 0.271 391 R C 0.895 177.008 176.300 -0.312 0.000 1.093 391 R CA 0.579 56.631 56.100 -0.079 0.000 0.730 391 R CB -2.131 28.131 30.300 -0.063 0.000 1.190 391 R HN 0.488 nan 8.270 nan 0.000 0.437 392 I N -2.045 118.358 120.570 -0.278 0.000 3.241 392 I HA -0.138 4.033 4.170 0.002 0.000 0.280 392 I C 1.983 177.889 176.117 -0.351 0.000 1.320 392 I CA 0.667 61.713 61.300 -0.425 0.000 1.413 392 I CB -0.950 36.530 38.000 -0.866 0.000 1.060 392 I HN 0.343 nan 8.210 nan 0.000 0.500 393 Y N 0.026 120.202 120.300 -0.206 0.000 2.256 393 Y HA -0.240 4.311 4.550 0.002 0.000 0.288 393 Y C 2.374 178.185 175.900 -0.148 0.000 1.155 393 Y CA 1.470 59.459 58.100 -0.186 0.000 1.203 393 Y CB -1.691 36.644 38.460 -0.207 0.000 0.980 393 Y HN 0.221 nan 8.280 nan 0.000 0.530 394 H N 0.498 119.216 119.070 -0.587 0.000 2.353 394 H HA -0.183 4.374 4.556 0.002 0.000 0.298 394 H C 2.361 177.621 175.328 -0.113 0.000 1.103 394 H CA 2.019 57.864 56.048 -0.338 0.000 1.293 394 H CB -0.324 29.177 29.762 -0.434 0.000 1.372 394 H HN 0.506 nan 8.280 nan 0.000 0.501 395 I N 1.046 121.606 120.570 -0.017 0.000 2.493 395 I HA -0.199 3.972 4.170 0.002 0.000 0.254 395 I C 1.229 177.428 176.117 0.136 0.000 1.160 395 I CA 1.012 62.340 61.300 0.048 0.000 1.445 395 I CB 0.017 37.956 38.000 -0.102 0.000 1.086 395 I HN 0.077 nan 8.210 nan 0.000 0.433 396 D N 0.263 120.707 120.400 0.074 0.000 2.348 396 D HA -0.155 4.486 4.640 0.002 0.000 0.216 396 D C 2.023 178.387 176.300 0.107 0.000 0.970 396 D CA 0.551 54.613 54.000 0.103 0.000 0.889 396 D CB -0.137 40.709 40.800 0.076 0.000 0.912 396 D HN 0.357 nan 8.370 nan 0.000 0.524 397 R N -0.064 120.503 120.500 0.111 0.000 2.119 397 R HA 0.010 4.351 4.340 0.002 0.000 0.222 397 R C 1.691 178.026 176.300 0.059 0.000 1.088 397 R CA 1.109 57.262 56.100 0.088 0.000 0.984 397 R CB 0.216 30.575 30.300 0.098 0.000 0.884 397 R HN 0.142 nan 8.270 nan 0.000 0.447 398 G N -1.816 107.022 108.800 0.065 0.000 3.342 398 G HA2 0.111 4.072 3.960 0.002 0.000 0.252 398 G HA3 0.111 4.072 3.960 0.002 0.000 0.252 398 G C -0.760 173.985 174.900 -0.258 0.000 1.011 398 G CA -0.234 44.812 45.100 -0.090 0.000 0.869 398 G HN 0.073 nan 8.290 nan 0.000 0.514 399 Y N 0.690 121.018 120.300 0.047 0.000 2.338 399 Y HA 0.423 4.974 4.550 0.002 0.000 0.333 399 Y C -0.060 175.895 175.900 0.091 0.000 0.968 399 Y CA -1.279 56.863 58.100 0.071 0.000 1.123 399 Y CB 1.793 40.290 38.460 0.062 0.000 1.165 399 Y HN 0.059 nan 8.280 nan 0.000 0.452 400 E N 5.474 125.801 120.200 0.211 0.000 2.180 400 E HA 0.164 4.515 4.350 0.002 0.000 0.283 400 E C 0.003 176.719 176.600 0.194 0.000 1.061 400 E CA -0.510 55.988 56.400 0.163 0.000 0.861 400 E CB 0.365 30.130 29.700 0.108 0.000 1.056 400 E HN 0.722 nan 8.360 nan 0.000 0.407 401 R N 3.812 124.417 120.500 0.174 0.000 3.109 401 R HA -0.235 4.106 4.340 0.002 0.000 0.241 401 R C 0.273 176.692 176.300 0.197 0.000 0.882 401 R CA 0.729 56.928 56.100 0.164 0.000 0.604 401 R CB -2.366 28.001 30.300 0.112 0.000 1.040 401 R HN 0.808 nan 8.270 nan 0.000 0.480 402 I N 0.245 120.966 120.570 0.252 0.000 2.361 402 I HA -0.252 3.919 4.170 0.002 0.000 0.251 402 I C 2.492 178.714 176.117 0.174 0.000 1.133 402 I CA 1.866 63.326 61.300 0.266 0.000 1.413 402 I CB -0.046 38.054 38.000 0.166 0.000 1.073 402 I HN 0.639 nan 8.210 nan 0.000 0.424 403 E N 0.745 121.022 120.200 0.128 0.000 2.038 403 E HA -0.295 4.056 4.350 0.002 0.000 0.195 403 E C 1.641 178.226 176.600 -0.025 0.000 1.000 403 E CA 2.016 58.384 56.400 -0.054 0.000 0.803 403 E CB 0.025 29.679 29.700 -0.076 0.000 0.750 403 E HN 0.505 nan 8.360 nan 0.000 0.448 404 D N 0.242 120.658 120.400 0.027 0.000 2.097 404 D HA -0.130 4.511 4.640 0.002 0.000 0.197 404 D C 1.890 178.200 176.300 0.017 0.000 0.984 404 D CA 1.064 55.073 54.000 0.015 0.000 0.826 404 D CB -0.149 40.667 40.800 0.026 0.000 0.973 404 D HN 0.172 nan 8.370 nan 0.000 0.460 405 K N 0.277 120.709 120.400 0.053 0.000 2.057 405 K HA -0.055 4.266 4.320 0.002 0.000 0.207 405 K C 2.333 178.958 176.600 0.042 0.000 1.049 405 K CA 0.583 56.874 56.287 0.007 0.000 0.931 405 K CB -0.141 32.366 32.500 0.011 0.000 0.714 405 K HN 0.148 nan 8.250 nan 0.000 0.440 406 L N 0.466 121.773 121.223 0.140 0.000 2.056 406 L HA -0.144 4.197 4.340 0.002 0.000 0.207 406 L C 2.756 179.642 176.870 0.028 0.000 1.078 406 L CA 1.022 55.938 54.840 0.127 0.000 0.749 406 L CB -0.317 41.792 42.059 0.084 0.000 0.901 406 L HN 0.187 nan 8.230 nan 0.000 0.433 407 R N 0.473 120.967 120.500 -0.010 0.000 2.083 407 R HA -0.180 4.161 4.340 0.002 0.000 0.237 407 R C 2.174 178.460 176.300 -0.023 0.000 1.137 407 R CA 1.519 57.600 56.100 -0.031 0.000 0.951 407 R CB -0.281 29.992 30.300 -0.045 0.000 0.851 407 R HN 0.327 nan 8.270 nan 0.000 0.434 408 A N 0.327 123.132 122.820 -0.024 0.000 2.225 408 A HA -0.056 4.266 4.320 0.002 0.000 0.215 408 A C 1.708 179.272 177.584 -0.034 0.000 1.164 408 A CA 0.894 52.911 52.037 -0.033 0.000 0.710 408 A CB -0.209 18.763 19.000 -0.047 0.000 0.780 408 A HN 0.375 nan 8.150 nan 0.000 0.473 409 L N -2.088 119.124 121.223 -0.019 0.000 2.693 409 L HA 0.308 4.649 4.340 0.002 0.000 0.235 409 L C 1.478 178.346 176.870 -0.004 0.000 1.127 409 L CA 0.550 55.384 54.840 -0.009 0.000 0.914 409 L CB 0.342 42.414 42.059 0.021 0.000 1.193 409 L HN 0.510 nan 8.230 nan 0.000 0.502 410 G N -0.062 108.732 108.800 -0.011 0.000 2.184 410 G HA2 -0.191 3.770 3.960 0.002 0.000 0.206 410 G HA3 -0.191 3.770 3.960 0.002 0.000 0.206 410 G C 0.341 175.231 174.900 -0.016 0.000 0.995 410 G CA -0.150 44.943 45.100 -0.013 0.000 0.651 410 G HN 0.392 nan 8.290 nan 0.000 0.511 411 A N 0.032 122.842 122.820 -0.017 0.000 2.407 411 A HA 0.607 4.929 4.320 0.002 0.000 0.248 411 A C 0.478 178.035 177.584 -0.045 0.000 1.082 411 A CA 0.156 52.176 52.037 -0.029 0.000 0.785 411 A CB 0.422 19.403 19.000 -0.032 0.000 1.020 411 A HN 0.493 nan 8.150 nan 0.000 0.489 412 N N 1.802 120.473 118.700 -0.049 0.000 2.699 412 N HA 0.374 5.115 4.740 0.002 0.000 0.232 412 N C -1.364 174.098 175.510 -0.079 0.000 1.027 412 N CA -0.041 52.977 53.050 -0.054 0.000 0.920 412 N CB 0.325 38.790 38.487 -0.037 0.000 1.148 412 N HN 0.665 nan 8.380 nan 0.000 0.509 413 I N 0.680 121.179 120.570 -0.119 0.000 2.730 413 I HA 0.461 4.633 4.170 0.002 0.000 0.298 413 I C -1.168 174.819 176.117 -0.215 0.000 1.089 413 I CA -0.625 60.556 61.300 -0.199 0.000 1.041 413 I CB 2.253 40.068 38.000 -0.309 0.000 1.235 413 I HN 0.293 nan 8.210 nan 0.000 0.423 414 E N 5.778 125.846 120.200 -0.220 0.000 2.356 414 E HA 0.354 4.705 4.350 0.002 0.000 0.275 414 E C -1.468 175.077 176.600 -0.092 0.000 0.904 414 E CA -0.963 55.355 56.400 -0.137 0.000 0.757 414 E CB 2.243 31.912 29.700 -0.053 0.000 1.232 414 E HN 0.554 nan 8.360 nan 0.000 0.442 415 R N 3.528 124.033 120.500 0.008 0.000 2.215 415 R HA 0.333 4.674 4.340 0.002 0.000 0.336 415 R C -1.287 175.107 176.300 0.157 0.000 0.996 415 R CA -0.390 55.847 56.100 0.229 0.000 0.847 415 R CB 0.795 31.287 30.300 0.320 0.000 1.127 415 R HN 0.201 nan 8.270 nan 0.000 0.465 416 V N 6.229 126.239 119.914 0.160 0.000 2.406 416 V HA 0.166 4.287 4.120 0.002 0.000 0.272 416 V C 0.564 176.709 176.094 0.084 0.000 1.043 416 V CA -0.535 61.824 62.300 0.097 0.000 0.915 416 V CB 1.114 32.985 31.823 0.080 0.000 0.988 416 V HN 0.708 nan 8.190 nan 0.000 0.466 417 K N 2.632 123.070 120.400 0.063 0.000 2.202 417 K HA 0.222 4.544 4.320 0.002 0.000 0.238 417 K C 1.105 177.727 176.600 0.038 0.000 1.070 417 K CA 0.472 56.788 56.287 0.049 0.000 0.859 417 K CB 0.123 32.646 32.500 0.038 0.000 1.140 417 K HN 1.010 nan 8.250 nan 0.000 0.515 418 G N 2.506 111.323 108.800 0.028 0.000 2.530 418 G HA2 -0.277 3.684 3.960 0.002 0.000 0.305 418 G HA3 -0.277 3.684 3.960 0.002 0.000 0.305 418 G C -0.111 174.804 174.900 0.024 0.000 0.185 418 G CA 1.253 46.365 45.100 0.021 0.000 1.140 418 G HN 0.565 nan 8.290 nan 0.000 0.516 419 E N 0.000 120.216 120.200 0.027 0.000 2.725 419 E HA 0.000 4.351 4.350 0.002 0.000 0.291 419 E CA 0.000 56.417 56.400 0.028 0.000 0.976 419 E CB 0.000 29.713 29.700 0.022 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440