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 2deb_1_B DATA FIRST_RESID 32 DATA SEQUENCE DDYLQHSIVP TXHYQDSLPR LPIPKLEDTX KRYLNAQKPL LDDSQFRRTE DATA SEQUENCE ALCKNFETGV GKELHAHLLA QDKQNKHTSY ISGPWFDXYL TARDSIVLNF DATA SEQUENCE NPFXAFNPDP KSEYNDQLTR ATNLTVSAVR FLKTLQAGLL EPEVFHLNPS DATA SEQUENCE KSDTDAFKRL IRFVPPSLSW YGAYLVNAYP LDXSQYFRLF NSTRIPRPNR DATA SEQUENCE DELFTDTKAR HLLVLRKGHF YVFDVLDQDG NIVNPLEIQA HLKYILSDSS DATA SEQUENCE PVPEFPVAYL TSENRDVWAE LRQKLIFDGN EETLKKVDSA VFCLCLDDFP DATA SEQUENCE XKDLIHLSHT XLHGDGTNRW FDKSFNLIVA EDGTAAVHFE HSWGDGVAVL DATA SEQUENCE RFFNEVFRDS TQTPAITPQS QPAATNSSAS VETLSFNLSG ALKAGITAAK DATA SEQUENCE EKFDTTVKTL SIDSIQFQRG GKEFLKKKQL SPDAVAQLAF QXAFLRQYGQ DATA SEQUENCE TVATYESCST AAFKHGRTET IRPASIFTKR CSEAFVRDPS KHSVGELQHX DATA SEQUENCE XAECSKYHGQ LTKEAAXGQG FDRHLYALRY LATARGLNLP ELYLDPAYQQ DATA SEQUENCE XNHNILSTST LNSPAVSLGG FAPVVPDGFG IAYAVHDDWI GCNVSSYSGR DATA SEQUENCE NAREFLHCVQ KCLEDIFDAL EGKAIK 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 32 D HA 0.000 nan 4.640 nan 0.000 0.175 32 D C 0.000 176.308 176.300 0.013 0.000 2.045 32 D CA 0.000 54.048 54.000 0.080 0.000 0.868 32 D CB 0.000 40.851 40.800 0.085 0.000 0.688 33 D N 0.325 120.628 120.400 -0.161 0.000 2.427 33 D HA 0.066 4.706 4.640 -0.000 0.000 0.224 33 D C -0.121 175.875 176.300 -0.506 0.000 1.157 33 D CA 0.167 53.974 54.000 -0.322 0.000 0.828 33 D CB 0.439 41.016 40.800 -0.370 0.000 0.974 33 D HN 0.324 nan 8.370 nan 0.000 0.498 34 Y N 0.278 120.588 120.300 0.017 0.000 2.429 34 Y HA 0.202 4.752 4.550 -0.001 0.000 0.342 34 Y C 1.048 176.854 175.900 -0.157 0.000 1.004 34 Y CA -1.171 56.860 58.100 -0.114 0.000 1.075 34 Y CB 1.359 39.673 38.460 -0.243 0.000 1.214 34 Y HN -0.261 nan 8.280 nan 0.000 0.455 35 L N -0.909 120.312 121.223 -0.003 0.000 2.607 35 L HA 0.445 4.784 4.340 -0.000 0.000 0.228 35 L C -0.005 176.834 176.870 -0.052 0.000 1.123 35 L CA 0.056 54.897 54.840 0.001 0.000 0.890 35 L CB -0.498 41.592 42.059 0.053 0.000 1.103 35 L HN 0.645 nan 8.230 nan 0.000 0.468 36 Q N -0.894 118.766 119.800 -0.234 0.000 2.522 36 Q HA 0.437 4.777 4.340 -0.000 0.000 0.285 36 Q C -1.402 174.278 176.000 -0.534 0.000 0.982 36 Q CA -0.561 55.114 55.803 -0.213 0.000 0.805 36 Q CB 1.530 30.216 28.738 -0.086 0.000 1.457 36 Q HN 0.402 nan 8.270 nan 0.000 0.394 37 H N -0.108 118.963 119.070 0.001 0.000 2.616 37 H HA 0.298 4.854 4.556 -0.000 0.000 0.229 37 H C -0.913 174.387 175.328 -0.047 0.000 1.418 37 H CA -0.277 55.750 56.048 -0.035 0.000 1.248 37 H CB 1.360 31.114 29.762 -0.013 0.000 1.822 37 H HN 0.346 nan 8.280 nan 0.000 0.522 38 S N 1.370 117.063 115.700 -0.011 0.000 2.537 38 S HA 0.023 4.492 4.470 -0.000 0.000 0.286 38 S C 1.750 176.321 174.600 -0.049 0.000 1.299 38 S CA -0.424 57.766 58.200 -0.017 0.000 1.067 38 S CB 0.186 63.367 63.200 -0.032 0.000 0.864 38 S HN 0.675 nan 8.310 nan 0.000 0.494 39 I N 3.549 124.090 120.570 -0.049 0.000 3.059 39 I HA 0.208 4.378 4.170 -0.000 0.000 0.270 39 I C -0.009 176.000 176.117 -0.180 0.000 1.238 39 I CA 0.174 61.414 61.300 -0.101 0.000 1.478 39 I CB -0.036 37.917 38.000 -0.078 0.000 1.097 39 I HN 0.252 nan 8.210 nan 0.000 0.455 40 V N 3.969 123.785 119.914 -0.165 0.000 2.406 40 V HA 0.336 4.456 4.120 -0.000 0.000 0.272 40 V C -2.164 173.802 176.094 -0.213 0.000 1.043 40 V CA -1.483 60.652 62.300 -0.274 0.000 0.915 40 V CB 0.420 32.129 31.823 -0.190 0.000 0.988 40 V HN 0.094 nan 8.190 nan 0.000 0.466 41 P HA 0.100 nan 4.420 nan 0.000 0.266 41 P C 0.541 177.803 177.300 -0.063 0.000 1.195 41 P CA 0.198 63.215 63.100 -0.138 0.000 0.768 41 P CB 0.264 31.897 31.700 -0.112 0.000 0.838 45 Y N 1.365 121.695 120.300 0.050 0.000 2.482 45 Y HA 0.165 4.715 4.550 -0.000 0.000 0.270 45 Y C 2.063 177.980 175.900 0.029 0.000 1.152 45 Y CA 0.468 58.590 58.100 0.036 0.000 1.292 45 Y CB 0.402 38.940 38.460 0.131 0.000 1.070 45 Y HN 0.178 nan 8.280 nan 0.000 0.528 46 Q N 0.375 120.255 119.800 0.133 0.000 2.124 46 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 46 Q C 1.124 177.151 176.000 0.045 0.000 0.977 46 Q CA 1.395 57.255 55.803 0.096 0.000 0.850 46 Q CB -0.269 28.521 28.738 0.087 0.000 0.901 46 Q HN 0.494 nan 8.270 nan 0.000 0.429 47 D N 0.181 120.595 120.400 0.023 0.000 2.219 47 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 47 D C 1.390 177.689 176.300 -0.001 0.000 0.970 47 D CA 1.256 55.259 54.000 0.006 0.000 0.851 47 D CB 0.053 40.852 40.800 -0.000 0.000 0.943 47 D HN 0.278 nan 8.370 nan 0.000 0.488 48 S N -0.800 114.909 115.700 0.015 0.000 2.578 48 S HA 0.205 4.674 4.470 -0.000 0.000 0.231 48 S C 0.768 175.229 174.600 -0.233 0.000 0.994 48 S CA -0.499 57.694 58.200 -0.011 0.000 0.956 48 S CB -0.017 63.260 63.200 0.128 0.000 0.870 48 S HN 0.029 nan 8.310 nan 0.000 0.494 49 L N 3.326 124.409 121.223 -0.233 0.000 2.514 49 L HA 0.243 4.583 4.340 -0.000 0.000 0.280 49 L C -1.923 174.571 176.870 -0.626 0.000 1.223 49 L CA -1.488 53.048 54.840 -0.506 0.000 0.864 49 L CB 0.006 41.938 42.059 -0.212 0.000 1.118 49 L HN 0.125 nan 8.230 nan 0.000 0.494 50 P HA 0.128 nan 4.420 nan 0.000 0.272 50 P C -0.907 176.322 177.300 -0.118 0.000 1.223 50 P CA -0.354 62.401 63.100 -0.576 0.000 0.784 50 P CB 0.610 31.910 31.700 -0.666 0.000 0.923 51 R N 0.942 121.391 120.500 -0.085 0.000 2.539 51 R HA 0.286 4.625 4.340 -0.000 0.000 0.275 51 R C 0.158 176.406 176.300 -0.086 0.000 1.077 51 R CA -0.897 55.168 56.100 -0.058 0.000 1.097 51 R CB -0.034 30.208 30.300 -0.096 0.000 1.018 51 R HN 0.400 nan 8.270 nan 0.000 0.483 52 L N 4.789 125.920 121.223 -0.152 0.000 2.477 52 L HA 0.179 4.518 4.340 -0.000 0.000 0.272 52 L C -2.190 174.446 176.870 -0.389 0.000 1.157 52 L CA -1.364 53.203 54.840 -0.455 0.000 0.889 52 L CB 0.248 42.185 42.059 -0.203 0.000 1.158 52 L HN 0.454 nan 8.230 nan 0.000 0.473 53 P HA 0.203 nan 4.420 nan 0.000 0.269 53 P C -0.882 176.243 177.300 -0.293 0.000 1.209 53 P CA 0.172 63.054 63.100 -0.363 0.000 0.776 53 P CB 0.487 31.966 31.700 -0.368 0.000 0.876 54 I N 4.005 124.363 120.570 -0.354 0.000 2.354 54 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 54 I C -2.016 173.878 176.117 -0.371 0.000 0.989 54 I CA -2.558 58.408 61.300 -0.557 0.000 1.188 54 I CB 1.429 38.972 38.000 -0.761 0.000 1.342 54 I HN 0.190 nan 8.210 nan 0.000 0.457 55 P HA 0.128 nan 4.420 nan 0.000 0.270 55 P C -0.871 176.402 177.300 -0.044 0.000 1.223 55 P CA -0.510 62.504 63.100 -0.143 0.000 0.785 55 P CB 0.427 32.124 31.700 -0.005 0.000 0.923 56 K N 1.033 121.438 120.400 0.009 0.000 2.448 56 K HA 0.001 4.321 4.320 -0.000 0.000 0.278 56 K C 1.117 177.717 176.600 0.000 0.000 1.009 56 K CA -0.393 55.889 56.287 -0.008 0.000 0.995 56 K CB 0.090 32.586 32.500 -0.007 0.000 0.917 56 K HN 0.298 nan 8.250 nan 0.000 0.481 57 L N 3.448 124.547 121.223 -0.208 0.000 2.083 57 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 57 L C 2.227 179.074 176.870 -0.038 0.000 1.083 57 L CA 1.823 56.575 54.840 -0.146 0.000 0.752 57 L CB -0.475 41.365 42.059 -0.364 0.000 0.899 57 L HN 0.799 nan 8.230 nan 0.000 0.433 58 E N -0.820 119.354 120.200 -0.044 0.000 2.085 58 E HA -0.269 4.080 4.350 -0.000 0.000 0.194 58 E C 1.543 178.164 176.600 0.034 0.000 0.994 58 E CA 1.677 58.075 56.400 -0.003 0.000 0.801 58 E CB -0.013 29.683 29.700 -0.007 0.000 0.743 58 E HN 0.556 nan 8.360 nan 0.000 0.453 59 D N 0.272 120.702 120.400 0.050 0.000 2.103 59 D HA -0.057 4.583 4.640 -0.000 0.000 0.199 59 D C 0.863 177.236 176.300 0.122 0.000 0.978 59 D CA 0.818 54.866 54.000 0.080 0.000 0.829 59 D CB -0.649 40.197 40.800 0.077 0.000 0.981 59 D HN 0.106 nan 8.370 nan 0.000 0.464 63 R N -0.384 120.153 120.500 0.063 0.000 2.092 63 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 63 R C 1.873 178.009 176.300 -0.273 0.000 1.119 63 R CA 1.718 57.856 56.100 0.062 0.000 0.970 63 R CB -0.456 29.995 30.300 0.251 0.000 0.864 63 R HN 0.201 nan 8.270 nan 0.000 0.440 64 Y N 1.619 121.509 120.300 -0.685 0.000 2.128 64 Y HA -0.193 4.356 4.550 -0.001 0.000 0.284 64 Y C 1.829 177.429 175.900 -0.501 0.000 1.154 64 Y CA 1.450 58.880 58.100 -1.117 0.000 1.149 64 Y CB -0.357 37.721 38.460 -0.637 0.000 0.976 64 Y HN -0.058 nan 8.280 nan 0.000 0.505 65 L N 0.057 121.098 121.223 -0.304 0.000 2.083 65 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 65 L C 2.169 179.035 176.870 -0.007 0.000 1.083 65 L CA 1.294 56.013 54.840 -0.202 0.000 0.752 65 L CB -0.663 41.345 42.059 -0.084 0.000 0.899 65 L HN 0.243 nan 8.230 nan 0.000 0.433 66 N N 0.433 119.122 118.700 -0.019 0.000 2.104 66 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 66 N C 1.838 177.359 175.510 0.018 0.000 1.024 66 N CA 1.639 54.709 53.050 0.033 0.000 0.853 66 N CB -0.308 38.252 38.487 0.121 0.000 1.008 66 N HN 0.324 nan 8.380 nan 0.000 0.424 67 A N 0.735 123.539 122.820 -0.028 0.000 2.014 67 A HA -0.069 4.250 4.320 -0.000 0.000 0.218 67 A C 2.061 179.626 177.584 -0.032 0.000 1.163 67 A CA 0.896 52.953 52.037 0.034 0.000 0.652 67 A CB -0.174 18.916 19.000 0.151 0.000 0.808 67 A HN 0.159 nan 8.150 nan 0.000 0.449 68 Q N -0.328 119.388 119.800 -0.140 0.000 2.230 68 Q HA -0.126 4.213 4.340 -0.000 0.000 0.202 68 Q C 1.925 177.951 176.000 0.044 0.000 0.963 68 Q CA 1.458 57.210 55.803 -0.085 0.000 0.866 68 Q CB -0.243 28.363 28.738 -0.220 0.000 0.931 68 Q HN 0.636 nan 8.270 nan 0.000 0.452 69 K N 1.217 121.628 120.400 0.018 0.000 2.059 69 K HA -0.146 4.173 4.320 -0.000 0.000 0.212 69 K C -0.835 175.650 176.600 -0.192 0.000 1.050 69 K CA 1.587 57.731 56.287 -0.239 0.000 0.927 69 K CB -0.997 31.298 32.500 -0.341 0.000 0.714 69 K HN 0.168 nan 8.250 nan 0.000 0.447 70 P HA -0.073 nan 4.420 nan 0.000 0.233 70 P C 0.841 178.120 177.300 -0.034 0.000 1.167 70 P CA 1.090 64.141 63.100 -0.082 0.000 0.770 70 P CB 0.138 31.808 31.700 -0.049 0.000 0.837 71 L N -1.803 119.410 121.223 -0.015 0.000 2.408 71 L HA 0.177 4.516 4.340 -0.000 0.000 0.215 71 L C 1.311 178.190 176.870 0.016 0.000 1.081 71 L CA 0.267 55.113 54.840 0.009 0.000 0.840 71 L CB -0.155 41.913 42.059 0.015 0.000 1.002 71 L HN -0.104 nan 8.230 nan 0.000 0.468 72 L N 0.417 121.655 121.223 0.024 0.000 2.334 72 L HA 0.268 4.608 4.340 -0.000 0.000 0.275 72 L C -0.409 176.478 176.870 0.029 0.000 1.036 72 L CA -1.015 53.855 54.840 0.051 0.000 0.807 72 L CB 1.449 43.586 42.059 0.130 0.000 1.231 72 L HN 0.072 nan 8.230 nan 0.000 0.438 73 D N -0.473 119.948 120.400 0.035 0.000 2.371 73 D HA -0.009 4.631 4.640 -0.000 0.000 0.242 73 D C 0.378 176.707 176.300 0.048 0.000 1.218 73 D CA -0.351 53.662 54.000 0.022 0.000 0.945 73 D CB 0.727 41.539 40.800 0.020 0.000 1.137 73 D HN 0.381 nan 8.370 nan 0.000 0.464 74 D N -0.567 119.848 120.400 0.025 0.000 2.123 74 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 74 D C 1.822 178.179 176.300 0.095 0.000 0.992 74 D CA 1.524 55.552 54.000 0.048 0.000 0.833 74 D CB -0.447 40.360 40.800 0.013 0.000 0.954 74 D HN 0.399 nan 8.370 nan 0.000 0.455 75 S N -0.155 115.581 115.700 0.060 0.000 2.368 75 S HA -0.169 4.300 4.470 -0.000 0.000 0.224 75 S C 1.856 176.487 174.600 0.051 0.000 1.029 75 S CA 1.137 59.367 58.200 0.048 0.000 0.988 75 S CB -0.051 63.166 63.200 0.029 0.000 0.838 75 S HN 0.222 nan 8.310 nan 0.000 0.462 76 Q N -0.661 119.174 119.800 0.058 0.000 2.084 76 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 76 Q C 1.886 177.919 176.000 0.056 0.000 0.978 76 Q CA 1.794 57.626 55.803 0.048 0.000 0.844 76 Q CB -0.344 28.424 28.738 0.049 0.000 0.898 76 Q HN 0.681 nan 8.270 nan 0.000 0.426 77 F N 1.371 121.294 119.950 -0.046 0.000 2.134 77 F HA -0.161 4.366 4.527 0.000 0.000 0.299 77 F C 2.145 177.915 175.800 -0.050 0.000 1.097 77 F CA 1.394 59.356 58.000 -0.063 0.000 1.264 77 F CB 0.099 39.058 39.000 -0.070 0.000 1.001 77 F HN -0.124 nan 8.300 nan 0.000 0.479 78 R N -0.339 120.207 120.500 0.077 0.000 2.096 78 R HA -0.182 4.158 4.340 -0.000 0.000 0.235 78 R C 2.302 178.551 176.300 -0.084 0.000 1.127 78 R CA 1.429 57.523 56.100 -0.011 0.000 0.968 78 R CB -0.424 29.905 30.300 0.048 0.000 0.861 78 R HN 0.182 nan 8.270 nan 0.000 0.440 79 R N 0.719 121.183 120.500 -0.060 0.000 2.073 79 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 79 R C 1.924 178.160 176.300 -0.107 0.000 1.134 79 R CA 2.276 58.339 56.100 -0.062 0.000 0.952 79 R CB -0.812 29.469 30.300 -0.031 0.000 0.850 79 R HN 0.040 nan 8.270 nan 0.000 0.433 80 T N 0.752 115.208 114.554 -0.163 0.000 2.746 80 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 80 T C 1.461 176.006 174.700 -0.260 0.000 1.039 80 T CA 1.594 63.574 62.100 -0.200 0.000 1.142 80 T CB -0.210 68.504 68.868 -0.256 0.000 0.866 80 T HN 0.413 nan 8.240 nan 0.000 0.444 81 E N 0.873 120.835 120.200 -0.397 0.000 2.085 81 E HA -0.136 4.213 4.350 -0.000 0.000 0.194 81 E C 2.556 179.062 176.600 -0.157 0.000 0.994 81 E CA 1.109 57.309 56.400 -0.332 0.000 0.801 81 E CB -0.209 29.284 29.700 -0.344 0.000 0.743 81 E HN 0.496 nan 8.360 nan 0.000 0.453 82 A N 0.987 123.736 122.820 -0.118 0.000 1.898 82 A HA -0.142 4.177 4.320 -0.000 0.000 0.216 82 A C 2.176 179.730 177.584 -0.049 0.000 1.181 82 A CA 0.949 52.947 52.037 -0.065 0.000 0.620 82 A CB -0.553 18.418 19.000 -0.049 0.000 0.819 82 A HN 0.132 nan 8.150 nan 0.000 0.442 83 L N -0.882 120.304 121.223 -0.062 0.000 2.046 83 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 83 L C 2.717 179.568 176.870 -0.032 0.000 1.077 83 L CA 1.205 56.015 54.840 -0.050 0.000 0.747 83 L CB -0.712 41.300 42.059 -0.077 0.000 0.896 83 L HN 0.483 nan 8.230 nan 0.000 0.432 84 C N -0.223 119.048 119.300 -0.049 0.000 2.429 84 C HA -0.191 4.269 4.460 -0.000 0.000 0.277 84 C C 2.907 177.922 174.990 0.041 0.000 1.262 84 C CA 0.959 59.972 59.018 -0.009 0.000 1.733 84 C CB -0.646 27.082 27.740 -0.020 0.000 2.010 84 C HN 0.462 nan 8.230 nan 0.000 0.483 85 K N 1.202 121.603 120.400 0.002 0.000 2.032 85 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 85 K C 1.795 178.405 176.600 0.016 0.000 1.048 85 K CA 2.209 58.498 56.287 0.004 0.000 0.927 85 K CB -0.369 32.122 32.500 -0.014 0.000 0.712 85 K HN 0.499 nan 8.250 nan 0.000 0.441 86 N N -0.446 118.267 118.700 0.022 0.000 2.120 86 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 86 N C 1.635 177.173 175.510 0.046 0.000 1.024 86 N CA 1.298 54.362 53.050 0.024 0.000 0.852 86 N CB -0.223 38.276 38.487 0.020 0.000 1.003 86 N HN 0.236 nan 8.380 nan 0.000 0.424 87 F N 1.450 121.348 119.950 -0.088 0.000 2.102 87 F HA -0.048 4.478 4.527 -0.002 0.000 0.298 87 F C 2.352 178.101 175.800 -0.084 0.000 1.105 87 F CA 1.537 59.474 58.000 -0.103 0.000 1.239 87 F CB -0.387 38.513 39.000 -0.166 0.000 0.991 87 F HN 0.164 nan 8.300 nan 0.000 0.474 88 E N -0.761 119.454 120.200 0.024 0.000 2.204 88 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 88 E C 1.811 178.345 176.600 -0.109 0.000 0.989 88 E CA 1.567 57.928 56.400 -0.064 0.000 0.824 88 E CB -0.117 29.586 29.700 0.006 0.000 0.756 88 E HN 0.534 nan 8.360 nan 0.000 0.477 89 T N -3.574 110.933 114.554 -0.079 0.000 3.065 89 T HA 0.269 4.618 4.350 -0.000 0.000 0.252 89 T C 0.977 175.625 174.700 -0.086 0.000 1.099 89 T CA 0.238 62.297 62.100 -0.069 0.000 1.063 89 T CB 0.976 69.821 68.868 -0.039 0.000 0.948 89 T HN 0.143 nan 8.240 nan 0.000 0.506 90 G N 0.629 109.354 108.800 -0.125 0.000 3.054 90 G HA2 0.367 4.327 3.960 -0.000 0.000 0.201 90 G HA3 0.367 4.327 3.960 -0.000 0.000 0.201 90 G C 0.899 175.684 174.900 -0.191 0.000 1.694 90 G CA 0.294 45.322 45.100 -0.120 0.000 0.742 90 G HN 0.089 nan 8.290 nan 0.000 0.790 91 V N 1.592 121.384 119.914 -0.205 0.000 2.407 91 V HA 0.028 4.148 4.120 -0.000 0.000 0.248 91 V C 2.719 178.551 176.094 -0.437 0.000 1.055 91 V CA 3.091 65.260 62.300 -0.218 0.000 1.049 91 V CB -0.672 31.092 31.823 -0.099 0.000 0.662 91 V HN 0.600 nan 8.190 nan 0.000 0.455 92 G N -0.864 107.344 108.800 -0.986 0.000 2.402 92 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 92 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 92 G C 1.627 176.171 174.900 -0.594 0.000 1.162 92 G CA 0.974 45.133 45.100 -1.568 0.000 0.777 92 G HN 0.532 nan 8.290 nan 0.000 0.539 93 K N 0.158 120.320 120.400 -0.397 0.000 2.063 93 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 93 K C 2.360 178.925 176.600 -0.058 0.000 1.048 93 K CA 1.477 57.666 56.287 -0.164 0.000 0.928 93 K CB -0.033 32.390 32.500 -0.129 0.000 0.713 93 K HN 0.160 nan 8.250 nan 0.000 0.442 94 E N 0.764 120.908 120.200 -0.094 0.000 2.072 94 E HA -0.129 4.220 4.350 -0.000 0.000 0.190 94 E C 2.167 178.770 176.600 0.005 0.000 0.982 94 E CA 0.741 57.122 56.400 -0.033 0.000 0.803 94 E CB -0.183 29.486 29.700 -0.051 0.000 0.755 94 E HN 0.349 nan 8.360 nan 0.000 0.453 95 L N 0.271 121.473 121.223 -0.034 0.000 2.042 95 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 95 L C 2.637 179.566 176.870 0.098 0.000 1.076 95 L CA 1.533 56.392 54.840 0.031 0.000 0.749 95 L CB -0.532 41.543 42.059 0.027 0.000 0.893 95 L HN 0.205 nan 8.230 nan 0.000 0.432 96 H N -0.166 118.902 119.070 -0.003 0.000 2.321 96 H HA -0.150 4.405 4.556 -0.001 0.000 0.300 96 H C 2.160 177.507 175.328 0.031 0.000 1.087 96 H CA 1.649 57.726 56.048 0.048 0.000 1.319 96 H CB 0.027 29.813 29.762 0.040 0.000 1.379 96 H HN 0.285 nan 8.280 nan 0.000 0.501 97 A N -0.357 122.501 122.820 0.063 0.000 1.892 97 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 97 A C 2.254 179.822 177.584 -0.027 0.000 1.188 97 A CA 2.173 54.213 52.037 0.004 0.000 0.631 97 A CB -1.147 17.881 19.000 0.048 0.000 0.822 97 A HN 0.731 nan 8.150 nan 0.000 0.447 98 H N -1.213 117.824 119.070 -0.055 0.000 2.389 98 H HA -0.023 4.533 4.556 0.000 0.000 0.299 98 H C 1.798 177.091 175.328 -0.059 0.000 1.081 98 H CA 1.548 57.571 56.048 -0.043 0.000 1.345 98 H CB -0.139 29.612 29.762 -0.019 0.000 1.393 98 H HN 0.335 nan 8.280 nan 0.000 0.520 99 L N -0.130 121.099 121.223 0.011 0.000 2.042 99 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 99 L C 1.858 178.619 176.870 -0.181 0.000 1.076 99 L CA 1.376 56.181 54.840 -0.059 0.000 0.749 99 L CB -0.504 41.518 42.059 -0.061 0.000 0.893 99 L HN 0.336 nan 8.230 nan 0.000 0.432 100 L N -0.861 120.198 121.223 -0.274 0.000 2.072 100 L HA -0.097 4.242 4.340 -0.000 0.000 0.205 100 L C 2.682 179.440 176.870 -0.187 0.000 1.079 100 L CA 1.701 56.379 54.840 -0.270 0.000 0.752 100 L CB -1.709 40.164 42.059 -0.310 0.000 0.906 100 L HN 0.414 nan 8.230 nan 0.000 0.436 101 A N -0.585 122.120 122.820 -0.191 0.000 1.902 101 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 101 A C 2.267 179.742 177.584 -0.181 0.000 1.181 101 A CA 1.811 53.738 52.037 -0.184 0.000 0.623 101 A CB -0.548 18.316 19.000 -0.228 0.000 0.818 101 A HN 0.504 nan 8.150 nan 0.000 0.443 102 Q N -0.533 119.137 119.800 -0.218 0.000 2.084 102 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 102 Q C 1.768 177.727 176.000 -0.069 0.000 0.978 102 Q CA 2.021 57.745 55.803 -0.132 0.000 0.844 102 Q CB -0.245 28.441 28.738 -0.087 0.000 0.898 102 Q HN 0.681 nan 8.270 nan 0.000 0.426 103 D N -0.063 120.288 120.400 -0.081 0.000 2.117 103 D HA -0.162 4.477 4.640 -0.000 0.000 0.197 103 D C 1.477 177.737 176.300 -0.067 0.000 0.987 103 D CA 1.376 55.336 54.000 -0.066 0.000 0.829 103 D CB 0.136 40.877 40.800 -0.099 0.000 0.961 103 D HN 0.176 nan 8.370 nan 0.000 0.460 104 K N -0.505 119.849 120.400 -0.077 0.000 2.283 104 K HA -0.055 4.265 4.320 -0.000 0.000 0.202 104 K C 2.002 178.583 176.600 -0.031 0.000 1.048 104 K CA 0.697 56.949 56.287 -0.058 0.000 0.948 104 K CB 0.038 32.500 32.500 -0.065 0.000 0.742 104 K HN 0.347 nan 8.250 nan 0.000 0.458 105 Q N 0.048 119.831 119.800 -0.027 0.000 2.425 105 Q HA 0.062 4.401 4.340 -0.000 0.000 0.204 105 Q C 0.056 176.091 176.000 0.058 0.000 0.933 105 Q CA 0.370 56.177 55.803 0.006 0.000 0.939 105 Q CB 0.456 29.191 28.738 -0.006 0.000 1.044 105 Q HN 0.219 nan 8.270 nan 0.000 0.513 106 N N 0.358 119.081 118.700 0.038 0.000 2.642 106 N HA 0.118 4.857 4.740 -0.000 0.000 0.308 106 N C -0.259 175.189 175.510 -0.104 0.000 1.914 106 N CA 0.015 53.094 53.050 0.049 0.000 0.893 106 N CB 0.800 39.285 38.487 -0.003 0.000 1.322 106 N HN 0.077 nan 8.380 nan 0.000 0.490 107 K N 0.158 120.563 120.400 0.009 0.000 2.504 107 K HA -0.075 4.245 4.320 -0.000 0.000 0.195 107 K C 1.569 178.124 176.600 -0.075 0.000 1.036 107 K CA 0.658 56.918 56.287 -0.044 0.000 0.984 107 K CB 0.007 32.502 32.500 -0.009 0.000 0.788 107 K HN 0.473 nan 8.250 nan 0.000 0.488 108 H N -0.988 118.044 119.070 -0.062 0.000 2.547 108 H HA 0.062 4.618 4.556 -0.001 0.000 0.272 108 H C 0.779 175.971 175.328 -0.227 0.000 0.989 108 H CA 0.643 56.628 56.048 -0.106 0.000 1.214 108 H CB 0.144 29.877 29.762 -0.047 0.000 1.389 108 H HN -0.097 nan 8.280 nan 0.000 0.577 109 T N 0.244 114.413 114.554 -0.641 0.000 2.645 109 T HA 0.459 4.808 4.350 -0.000 0.000 0.273 109 T C -0.720 173.855 174.700 -0.208 0.000 0.960 109 T CA -0.081 61.761 62.100 -0.429 0.000 1.051 109 T CB 1.533 70.265 68.868 -0.227 0.000 1.366 109 T HN 0.464 nan 8.240 nan 0.000 0.536 110 S N -0.078 115.600 115.700 -0.036 0.000 2.664 110 S HA 0.403 4.872 4.470 -0.000 0.000 0.304 110 S C 0.812 175.398 174.600 -0.023 0.000 1.099 110 S CA -0.450 57.731 58.200 -0.031 0.000 1.003 110 S CB 0.831 64.001 63.200 -0.050 0.000 1.092 110 S HN 0.901 nan 8.310 nan 0.000 0.525 111 Y N 0.336 120.582 120.300 -0.090 0.000 2.421 111 Y HA 0.161 4.711 4.550 -0.001 0.000 0.292 111 Y C 1.535 177.405 175.900 -0.050 0.000 1.136 111 Y CA 0.782 58.838 58.100 -0.073 0.000 1.255 111 Y CB -0.240 38.165 38.460 -0.091 0.000 0.991 111 Y HN 0.535 nan 8.280 nan 0.000 0.552 112 I N -0.287 119.840 120.570 -0.738 0.000 3.462 112 I HA 0.015 4.184 4.170 -0.000 0.000 0.290 112 I C 2.428 178.401 176.117 -0.239 0.000 1.236 112 I CA 0.631 61.548 61.300 -0.639 0.000 1.418 112 I CB -0.402 37.044 38.000 -0.924 0.000 1.102 112 I HN 0.332 nan 8.210 nan 0.000 0.441 113 S N 0.170 115.779 115.700 -0.152 0.000 2.355 113 S HA -0.098 4.372 4.470 -0.000 0.000 0.222 113 S C 2.180 176.848 174.600 0.113 0.000 1.031 113 S CA 1.565 59.736 58.200 -0.048 0.000 0.993 113 S CB -0.829 62.398 63.200 0.044 0.000 0.859 113 S HN 0.564 nan 8.310 nan 0.000 0.453 114 G N 1.875 110.759 108.800 0.139 0.000 2.433 114 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.216 114 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.216 114 G C -0.720 174.217 174.900 0.062 0.000 1.186 114 G CA 0.835 46.050 45.100 0.192 0.000 0.779 114 G HN 0.471 nan 8.290 nan 0.000 0.543 115 P HA -0.145 nan 4.420 nan 0.000 0.217 115 P C 1.489 178.859 177.300 0.118 0.000 1.148 115 P CA 0.920 63.690 63.100 -0.551 0.000 0.828 115 P CB -0.098 31.118 31.700 -0.808 0.000 0.783 116 W N -1.216 120.059 121.300 -0.043 0.000 2.407 116 W HA -0.140 4.519 4.660 -0.001 0.000 0.305 116 W C 1.737 178.261 176.519 0.009 0.000 1.196 116 W CA 0.674 57.987 57.345 -0.054 0.000 1.311 116 W CB -0.638 28.713 29.460 -0.183 0.000 1.135 116 W HN -0.116 nan 8.180 nan 0.000 0.514 117 F N 1.019 121.061 119.950 0.154 0.000 2.120 117 F HA -0.206 4.320 4.527 -0.001 0.000 0.300 117 F C 1.625 177.437 175.800 0.019 0.000 1.095 117 F CA 1.646 59.690 58.000 0.073 0.000 1.249 117 F CB -1.433 37.621 39.000 0.090 0.000 0.995 117 F HN -0.251 nan 8.300 nan 0.000 0.480 121 L N -0.107 121.128 121.223 0.021 0.000 2.217 121 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 121 L C 1.721 178.601 176.870 0.016 0.000 1.107 121 L CA 1.832 56.699 54.840 0.044 0.000 0.783 121 L CB -0.353 41.760 42.059 0.090 0.000 0.919 121 L HN 0.217 nan 8.230 nan 0.000 0.442 122 T N -0.254 114.294 114.554 -0.010 0.000 3.014 122 T HA 0.136 4.486 4.350 -0.000 0.000 0.263 122 T C 1.033 175.723 174.700 -0.017 0.000 1.078 122 T CA 0.445 62.543 62.100 -0.003 0.000 1.135 122 T CB -0.100 68.774 68.868 0.009 0.000 0.895 122 T HN 0.321 nan 8.240 nan 0.000 0.480 123 A N 1.918 124.701 122.820 -0.062 0.000 2.546 123 A HA 0.169 4.489 4.320 -0.000 0.000 0.243 123 A C 1.267 178.884 177.584 0.055 0.000 1.063 123 A CA -0.015 52.011 52.037 -0.019 0.000 0.757 123 A CB 0.265 19.223 19.000 -0.071 0.000 0.991 123 A HN 0.169 nan 8.150 nan 0.000 0.503 124 R N 1.229 121.777 120.500 0.080 0.000 2.312 124 R HA 0.051 4.391 4.340 -0.000 0.000 0.205 124 R C -0.674 175.696 176.300 0.117 0.000 0.904 124 R CA 0.170 56.322 56.100 0.086 0.000 1.052 124 R CB -0.382 29.953 30.300 0.057 0.000 1.014 124 R HN 0.838 nan 8.270 nan 0.000 0.503 125 D N 0.865 121.361 120.400 0.160 0.000 2.400 125 D HA -0.043 4.597 4.640 -0.000 0.000 0.238 125 D C 0.200 176.600 176.300 0.166 0.000 1.157 125 D CA 0.203 54.283 54.000 0.134 0.000 0.889 125 D CB 0.506 41.373 40.800 0.111 0.000 1.199 125 D HN -0.194 nan 8.370 nan 0.000 0.436 126 S N 0.485 116.228 115.700 0.071 0.000 2.561 126 S HA -0.057 4.413 4.470 -0.000 0.000 0.294 126 S C 1.421 176.082 174.600 0.101 0.000 1.294 126 S CA -0.546 57.688 58.200 0.055 0.000 1.055 126 S CB 0.013 63.195 63.200 -0.030 0.000 0.819 126 S HN 0.514 nan 8.310 nan 0.000 0.503 127 I N 3.146 123.801 120.570 0.142 0.000 2.761 127 I HA 0.161 4.330 4.170 -0.000 0.000 0.261 127 I C 0.264 176.401 176.117 0.033 0.000 1.198 127 I CA 0.023 61.463 61.300 0.234 0.000 1.482 127 I CB -0.319 37.831 38.000 0.249 0.000 1.100 127 I HN 0.258 nan 8.210 nan 0.000 0.445 128 V N 3.926 123.757 119.914 -0.140 0.000 2.572 128 V HA 0.074 4.194 4.120 -0.000 0.000 0.291 128 V C 1.211 177.209 176.094 -0.160 0.000 1.039 128 V CA 0.021 62.174 62.300 -0.245 0.000 1.055 128 V CB 0.791 32.320 31.823 -0.489 0.000 0.969 128 V HN 0.626 nan 8.190 nan 0.000 0.482 129 L N 1.483 122.647 121.223 -0.097 0.000 3.159 129 L HA -0.398 3.942 4.340 -0.000 0.000 0.370 129 L C 1.871 178.625 176.870 -0.194 0.000 1.458 129 L CA 2.091 56.879 54.840 -0.087 0.000 3.093 129 L CB -1.419 40.617 42.059 -0.039 0.000 1.152 129 L HN 0.681 nan 8.230 nan 0.000 0.779 130 N N -0.648 117.850 118.700 -0.338 0.000 2.149 130 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 130 N C 1.278 176.205 175.510 -0.972 0.000 1.019 130 N CA 2.127 54.738 53.050 -0.732 0.000 0.857 130 N CB -0.078 37.772 38.487 -1.062 0.000 0.997 130 N HN 0.435 nan 8.380 nan 0.000 0.426 131 F N -1.017 118.817 119.950 -0.194 0.000 2.455 131 F HA 0.282 4.808 4.527 -0.001 0.000 0.278 131 F C 0.061 175.564 175.800 -0.495 0.000 0.887 131 F CA -0.597 57.182 58.000 -0.368 0.000 1.104 131 F CB -0.462 38.402 39.000 -0.226 0.000 0.949 131 F HN -0.273 nan 8.300 nan 0.000 0.750 132 N N 3.810 122.427 118.700 -0.139 0.000 2.452 132 N HA 0.206 4.945 4.740 -0.000 0.000 0.266 132 N C -2.523 172.727 175.510 -0.434 0.000 1.175 132 N CA -1.121 51.742 53.050 -0.313 0.000 0.945 132 N CB 0.247 38.642 38.487 -0.154 0.000 1.063 132 N HN 0.076 nan 8.380 nan 0.000 0.472 133 P HA 0.513 nan 4.420 nan 0.000 0.307 133 P C -1.123 175.963 177.300 -0.356 0.000 1.307 133 P CA -0.590 62.251 63.100 -0.433 0.000 0.814 133 P CB 1.211 32.613 31.700 -0.497 0.000 1.311 137 F N 1.698 121.900 119.950 0.420 0.000 2.459 137 F HA 0.274 4.801 4.527 -0.000 0.000 0.346 137 F C 1.272 177.145 175.800 0.122 0.000 1.128 137 F CA 0.634 58.749 58.000 0.193 0.000 1.268 137 F CB 0.745 39.768 39.000 0.039 0.000 1.161 137 F HN 0.713 nan 8.300 nan 0.000 0.583 138 N N 3.381 122.189 118.700 0.180 0.000 2.381 138 N HA 0.090 4.830 4.740 -0.000 0.000 0.241 138 N C -2.374 173.337 175.510 0.335 0.000 1.279 138 N CA -0.944 52.214 53.050 0.179 0.000 0.896 138 N CB 0.144 38.657 38.487 0.044 0.000 1.118 138 N HN 0.269 nan 8.380 nan 0.000 0.438 139 P HA -0.026 nan 4.420 nan 0.000 0.274 139 P C -0.864 176.583 177.300 0.245 0.000 1.246 139 P CA -0.132 63.102 63.100 0.224 0.000 0.795 139 P CB 0.463 32.253 31.700 0.151 0.000 1.006 140 D N 1.180 121.653 120.400 0.121 0.000 2.458 140 D HA 0.018 4.658 4.640 -0.000 0.000 0.243 140 D C -1.383 174.943 176.300 0.043 0.000 1.146 140 D CA -1.454 52.552 54.000 0.010 0.000 0.877 140 D CB 0.537 41.324 40.800 -0.022 0.000 1.176 140 D HN 0.098 nan 8.370 nan 0.000 0.461 141 P HA -0.079 nan 4.420 nan 0.000 0.222 141 P C -0.255 177.055 177.300 0.016 0.000 1.147 141 P CA 1.015 64.135 63.100 0.033 0.000 0.790 141 P CB 0.191 31.902 31.700 0.019 0.000 0.780 142 K N -0.110 120.281 120.400 -0.016 0.000 2.285 142 K HA 0.231 4.550 4.320 -0.000 0.000 0.286 142 K C 1.162 177.840 176.600 0.130 0.000 1.072 142 K CA -0.171 56.141 56.287 0.042 0.000 0.913 142 K CB 0.607 33.094 32.500 -0.021 0.000 1.067 142 K HN -0.102 nan 8.250 nan 0.000 0.479 143 S N 2.721 118.484 115.700 0.105 0.000 2.359 143 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 143 S C 1.330 175.989 174.600 0.098 0.000 1.039 143 S CA 1.443 59.696 58.200 0.089 0.000 1.042 143 S CB -0.077 63.159 63.200 0.061 0.000 0.915 143 S HN 0.627 nan 8.310 nan 0.000 0.439 144 E N -0.382 119.881 120.200 0.105 0.000 2.347 144 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 144 E C 1.075 177.659 176.600 -0.027 0.000 1.008 144 E CA 0.589 57.001 56.400 0.021 0.000 0.852 144 E CB -0.142 29.538 29.700 -0.034 0.000 0.783 144 E HN 0.603 nan 8.360 nan 0.000 0.505 145 Y N 0.768 121.057 120.300 -0.018 0.000 2.578 145 Y HA 0.007 4.557 4.550 -0.001 0.000 0.297 145 Y C 1.513 177.397 175.900 -0.027 0.000 1.176 145 Y CA 0.419 58.501 58.100 -0.030 0.000 1.315 145 Y CB 0.090 38.521 38.460 -0.048 0.000 1.031 145 Y HN 0.046 nan 8.280 nan 0.000 0.524 146 N N 0.423 119.184 118.700 0.102 0.000 2.336 146 N HA -0.054 4.685 4.740 -0.000 0.000 0.189 146 N C -0.151 175.375 175.510 0.027 0.000 1.113 146 N CA 0.208 53.295 53.050 0.062 0.000 0.858 146 N CB -0.130 38.398 38.487 0.070 0.000 0.970 146 N HN 0.393 nan 8.380 nan 0.000 0.471 147 D N 1.259 121.658 120.400 -0.002 0.000 2.525 147 D HA -0.116 4.524 4.640 -0.000 0.000 0.235 147 D C 1.363 177.655 176.300 -0.013 0.000 1.137 147 D CA 0.316 54.304 54.000 -0.020 0.000 0.868 147 D CB 0.984 41.751 40.800 -0.056 0.000 1.180 147 D HN 0.074 nan 8.370 nan 0.000 0.465 148 Q N 2.560 122.353 119.800 -0.011 0.000 2.050 148 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 148 Q C 1.815 177.812 176.000 -0.005 0.000 0.980 148 Q CA 1.111 56.910 55.803 -0.007 0.000 0.840 148 Q CB -0.128 28.601 28.738 -0.016 0.000 0.898 148 Q HN 0.702 nan 8.270 nan 0.000 0.424 149 L N 0.497 121.710 121.223 -0.016 0.000 2.017 149 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 149 L C 2.123 178.985 176.870 -0.013 0.000 1.073 149 L CA 2.331 57.163 54.840 -0.014 0.000 0.745 149 L CB -0.968 41.075 42.059 -0.027 0.000 0.894 149 L HN 0.201 nan 8.230 nan 0.000 0.432 150 T N -0.417 114.116 114.554 -0.035 0.000 2.652 150 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 150 T C 2.064 176.762 174.700 -0.003 0.000 1.039 150 T CA 1.896 63.969 62.100 -0.047 0.000 1.153 150 T CB -0.298 68.499 68.868 -0.118 0.000 0.863 150 T HN 0.325 nan 8.240 nan 0.000 0.428 151 R N 0.542 121.046 120.500 0.005 0.000 2.090 151 R HA 0.075 4.415 4.340 -0.000 0.000 0.228 151 R C 2.690 179.002 176.300 0.021 0.000 1.110 151 R CA 1.058 57.166 56.100 0.014 0.000 0.973 151 R CB -0.385 29.922 30.300 0.010 0.000 0.869 151 R HN 0.382 nan 8.270 nan 0.000 0.440 152 A N -0.054 122.790 122.820 0.039 0.000 1.902 152 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 152 A C 2.092 179.738 177.584 0.103 0.000 1.181 152 A CA 2.052 54.136 52.037 0.079 0.000 0.623 152 A CB -0.810 18.238 19.000 0.080 0.000 0.818 152 A HN 0.388 nan 8.150 nan 0.000 0.443 153 T N 0.707 115.306 114.554 0.076 0.000 2.708 153 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 153 T C 1.856 176.605 174.700 0.081 0.000 1.037 153 T CA 1.499 63.651 62.100 0.085 0.000 1.146 153 T CB -0.401 68.494 68.868 0.044 0.000 0.865 153 T HN 0.491 nan 8.240 nan 0.000 0.435 154 N N 1.177 119.907 118.700 0.049 0.000 2.142 154 N HA 0.060 4.799 4.740 -0.000 0.000 0.186 154 N C 1.922 177.437 175.510 0.007 0.000 1.023 154 N CA 0.775 53.842 53.050 0.029 0.000 0.852 154 N CB -0.502 38.000 38.487 0.025 0.000 0.998 154 N HN 0.329 nan 8.380 nan 0.000 0.424 155 L N 0.544 121.763 121.223 -0.006 0.000 2.046 155 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 155 L C 2.218 179.160 176.870 0.121 0.000 1.077 155 L CA 1.076 55.899 54.840 -0.028 0.000 0.747 155 L CB -0.759 41.260 42.059 -0.067 0.000 0.896 155 L HN 0.132 nan 8.230 nan 0.000 0.432 156 T N -0.621 114.066 114.554 0.222 0.000 2.708 156 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 156 T C 1.989 176.870 174.700 0.301 0.000 1.037 156 T CA 1.451 63.779 62.100 0.380 0.000 1.146 156 T CB -0.220 68.846 68.868 0.331 0.000 0.865 156 T HN 0.052 nan 8.240 nan 0.000 0.435 157 V N 1.388 121.412 119.914 0.183 0.000 2.343 157 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 157 V C 2.706 178.872 176.094 0.120 0.000 1.051 157 V CA 1.753 64.134 62.300 0.134 0.000 1.036 157 V CB -0.752 31.121 31.823 0.083 0.000 0.654 157 V HN 0.430 nan 8.190 nan 0.000 0.451 158 S N 0.124 115.875 115.700 0.086 0.000 2.368 158 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 158 S C 2.232 176.914 174.600 0.137 0.000 1.030 158 S CA 1.375 59.610 58.200 0.059 0.000 0.999 158 S CB -0.467 62.709 63.200 -0.040 0.000 0.844 158 S HN 0.655 nan 8.310 nan 0.000 0.459 159 A N 1.048 123.985 122.820 0.196 0.000 1.902 159 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 159 A C 2.312 180.169 177.584 0.454 0.000 1.181 159 A CA 1.600 53.891 52.037 0.423 0.000 0.623 159 A CB -0.832 18.434 19.000 0.443 0.000 0.818 159 A HN 0.362 nan 8.150 nan 0.000 0.443 160 V N -0.213 119.895 119.914 0.324 0.000 2.453 160 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 160 V C 2.566 178.714 176.094 0.089 0.000 1.048 160 V CA 2.055 64.454 62.300 0.164 0.000 1.049 160 V CB -0.845 31.064 31.823 0.143 0.000 0.672 160 V HN 0.520 nan 8.190 nan 0.000 0.457 161 R N -0.650 119.915 120.500 0.109 0.000 2.091 161 R HA -0.200 4.139 4.340 -0.000 0.000 0.238 161 R C 2.214 178.598 176.300 0.140 0.000 1.136 161 R CA 2.136 58.276 56.100 0.067 0.000 0.959 161 R CB -0.592 29.738 30.300 0.050 0.000 0.856 161 R HN 0.522 nan 8.270 nan 0.000 0.437 162 F N 1.409 121.427 119.950 0.113 0.000 2.069 162 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 162 F C 2.162 178.070 175.800 0.180 0.000 1.113 162 F CA 1.512 59.638 58.000 0.210 0.000 1.214 162 F CB -0.302 38.923 39.000 0.376 0.000 0.978 162 F HN -0.024 nan 8.300 nan 0.000 0.474 163 L N 0.599 121.938 121.223 0.195 0.000 1.997 163 L HA -0.328 4.012 4.340 -0.000 0.000 0.216 163 L C 2.363 179.212 176.870 -0.034 0.000 1.074 163 L CA 2.061 56.746 54.840 -0.259 0.000 0.763 163 L CB -0.540 41.013 42.059 -0.843 0.000 0.890 163 L HN 0.147 nan 8.230 nan 0.000 0.434 164 K N -1.049 119.356 120.400 0.008 0.000 2.057 164 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 164 K C 1.907 178.644 176.600 0.229 0.000 1.049 164 K CA 1.908 58.263 56.287 0.114 0.000 0.931 164 K CB -0.249 32.279 32.500 0.046 0.000 0.714 164 K HN 0.431 nan 8.250 nan 0.000 0.440 165 T N 1.957 116.612 114.554 0.168 0.000 2.746 165 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 165 T C 1.717 176.360 174.700 -0.095 0.000 1.039 165 T CA 0.972 63.108 62.100 0.059 0.000 1.142 165 T CB -0.209 68.623 68.868 -0.060 0.000 0.866 165 T HN 0.082 nan 8.240 nan 0.000 0.444 166 L N 1.361 122.504 121.223 -0.133 0.000 1.989 166 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 166 L C 2.431 179.323 176.870 0.038 0.000 1.071 166 L CA 1.837 56.651 54.840 -0.042 0.000 0.749 166 L CB -0.819 41.311 42.059 0.118 0.000 0.890 166 L HN 0.247 nan 8.230 nan 0.000 0.431 167 Q N -0.737 119.105 119.800 0.071 0.000 2.124 167 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 167 Q C 2.108 178.120 176.000 0.019 0.000 0.977 167 Q CA 1.469 57.313 55.803 0.069 0.000 0.850 167 Q CB -0.370 28.417 28.738 0.082 0.000 0.901 167 Q HN 0.700 nan 8.270 nan 0.000 0.429 168 A N 0.147 122.956 122.820 -0.019 0.000 2.168 168 A HA 0.150 4.470 4.320 -0.000 0.000 0.215 168 A C 1.620 179.122 177.584 -0.137 0.000 1.152 168 A CA 0.910 52.876 52.037 -0.119 0.000 0.716 168 A CB -0.553 18.243 19.000 -0.340 0.000 0.794 168 A HN 0.490 nan 8.150 nan 0.000 0.465 169 G N -1.380 107.363 108.800 -0.096 0.000 2.153 169 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.252 169 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.252 169 G C 0.584 175.407 174.900 -0.129 0.000 0.994 169 G CA 0.577 45.622 45.100 -0.092 0.000 0.698 169 G HN 0.518 nan 8.290 nan 0.000 0.521 170 L N -0.920 120.195 121.223 -0.180 0.000 2.585 170 L HA 0.399 4.739 4.340 -0.000 0.000 0.226 170 L C 1.323 178.100 176.870 -0.154 0.000 1.113 170 L CA -0.385 54.334 54.840 -0.203 0.000 0.876 170 L CB 0.183 42.030 42.059 -0.354 0.000 1.072 170 L HN 0.290 nan 8.230 nan 0.000 0.468 171 L N 1.130 122.272 121.223 -0.135 0.000 2.367 171 L HA 0.118 4.458 4.340 -0.000 0.000 0.275 171 L C 0.573 177.427 176.870 -0.028 0.000 1.129 171 L CA 0.175 54.952 54.840 -0.105 0.000 0.839 171 L CB 0.377 42.344 42.059 -0.154 0.000 1.133 171 L HN 0.044 nan 8.230 nan 0.000 0.453 172 E N 6.244 126.456 120.200 0.020 0.000 2.414 172 E HA 0.063 4.413 4.350 -0.000 0.000 0.263 172 E C -2.108 174.553 176.600 0.101 0.000 1.000 172 E CA -1.464 54.978 56.400 0.070 0.000 0.914 172 E CB 0.076 29.838 29.700 0.103 0.000 0.948 172 E HN 0.494 nan 8.360 nan 0.000 0.444 173 P HA -0.090 nan 4.420 nan 0.000 0.265 173 P C -0.509 176.895 177.300 0.173 0.000 1.187 173 P CA 0.337 63.546 63.100 0.181 0.000 0.766 173 P CB 0.442 32.360 31.700 0.365 0.000 0.820 174 E N 2.145 122.419 120.200 0.124 0.000 2.299 174 E HA 0.277 4.627 4.350 -0.000 0.000 0.272 174 E C -1.035 175.624 176.600 0.099 0.000 1.043 174 E CA 0.218 56.699 56.400 0.134 0.000 0.895 174 E CB 0.007 29.784 29.700 0.128 0.000 1.011 174 E HN 0.062 nan 8.360 nan 0.000 0.432 175 V N 5.505 125.465 119.914 0.078 0.000 2.733 175 V HA 0.296 4.416 4.120 -0.000 0.000 0.306 175 V C -1.064 174.976 176.094 -0.089 0.000 1.084 175 V CA -0.951 61.293 62.300 -0.092 0.000 0.905 175 V CB 1.456 33.109 31.823 -0.284 0.000 1.010 175 V HN 0.619 nan 8.190 nan 0.000 0.424 176 F N 4.356 124.189 119.950 -0.195 0.000 2.391 176 F HA 0.650 5.177 4.527 -0.000 0.000 0.359 176 F C 0.054 175.744 175.800 -0.182 0.000 1.122 176 F CA -0.056 57.888 58.000 -0.094 0.000 1.120 176 F CB 0.547 39.541 39.000 -0.011 0.000 1.142 176 F HN 0.599 nan 8.300 nan 0.000 0.483 177 H N 6.486 125.159 119.070 -0.662 0.000 2.488 177 H HA 0.318 4.874 4.556 -0.000 0.000 0.322 177 H C 0.839 175.741 175.328 -0.710 0.000 1.078 177 H CA -0.558 55.170 56.048 -0.534 0.000 1.260 177 H CB 1.652 31.203 29.762 -0.352 0.000 1.425 177 H HN 0.700 nan 8.280 nan 0.000 0.471 178 L N 1.870 122.909 121.223 -0.306 0.000 2.109 178 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 178 L C 0.359 177.143 176.870 -0.142 0.000 1.086 178 L CA 0.966 55.693 54.840 -0.187 0.000 0.760 178 L CB -0.044 42.020 42.059 0.008 0.000 0.910 178 L HN 0.720 nan 8.230 nan 0.000 0.437 179 N N -1.273 117.350 118.700 -0.129 0.000 2.716 179 N HA 0.196 4.936 4.740 -0.000 0.000 0.253 179 N C -2.524 172.900 175.510 -0.144 0.000 1.170 179 N CA -1.357 51.621 53.050 -0.119 0.000 0.807 179 N CB 1.427 39.852 38.487 -0.102 0.000 1.183 179 N HN -0.168 nan 8.380 nan 0.000 0.524 180 P HA -0.169 nan 4.420 nan 0.000 0.217 180 P C 1.636 178.788 177.300 -0.247 0.000 1.148 180 P CA 1.162 64.077 63.100 -0.308 0.000 0.828 180 P CB 0.334 31.876 31.700 -0.264 0.000 0.783 181 S N -1.423 114.184 115.700 -0.155 0.000 2.442 181 S HA -0.149 4.320 4.470 -0.000 0.000 0.236 181 S C 1.850 176.387 174.600 -0.104 0.000 1.007 181 S CA 1.212 59.345 58.200 -0.112 0.000 0.965 181 S CB -0.490 62.663 63.200 -0.078 0.000 0.773 181 S HN 0.091 nan 8.310 nan 0.000 0.504 182 K N -0.083 120.242 120.400 -0.125 0.000 2.214 182 K HA 0.078 4.398 4.320 -0.000 0.000 0.201 182 K C 1.941 178.447 176.600 -0.157 0.000 1.049 182 K CA 1.160 57.377 56.287 -0.116 0.000 0.978 182 K CB -0.026 32.402 32.500 -0.119 0.000 0.842 182 K HN 0.470 nan 8.250 nan 0.000 0.474 183 S N -0.639 114.922 115.700 -0.232 0.000 2.514 183 S HA 0.018 4.488 4.470 -0.000 0.000 0.223 183 S C 0.626 175.063 174.600 -0.272 0.000 1.046 183 S CA -0.084 57.890 58.200 -0.377 0.000 0.914 183 S CB 0.216 63.203 63.200 -0.354 0.000 0.807 183 S HN 0.144 nan 8.310 nan 0.000 0.497 184 D N 3.312 123.490 120.400 -0.371 0.000 2.896 184 D HA 0.286 4.926 4.640 -0.000 0.000 0.240 184 D C -0.226 175.996 176.300 -0.130 0.000 1.193 184 D CA 0.077 53.851 54.000 -0.376 0.000 0.983 184 D CB -0.140 40.200 40.800 -0.766 0.000 1.074 184 D HN 0.519 nan 8.370 nan 0.000 0.496 185 T N -2.536 112.021 114.554 0.004 0.000 2.906 185 T HA 0.289 4.638 4.350 -0.000 0.000 0.295 185 T C 0.894 175.660 174.700 0.110 0.000 1.061 185 T CA -0.858 61.269 62.100 0.044 0.000 1.000 185 T CB 1.800 70.695 68.868 0.045 0.000 1.103 185 T HN -0.217 nan 8.240 nan 0.000 0.486 186 D N 1.205 121.648 120.400 0.072 0.000 2.149 186 D HA -0.080 4.559 4.640 -0.000 0.000 0.198 186 D C 2.299 178.647 176.300 0.080 0.000 0.990 186 D CA 1.628 55.669 54.000 0.070 0.000 0.839 186 D CB -0.478 40.347 40.800 0.042 0.000 0.948 186 D HN 0.772 nan 8.370 nan 0.000 0.460 187 A N 0.589 123.459 122.820 0.084 0.000 1.908 187 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 187 A C 2.092 179.744 177.584 0.114 0.000 1.181 187 A CA 1.073 53.158 52.037 0.080 0.000 0.627 187 A CB -0.953 18.090 19.000 0.071 0.000 0.818 187 A HN 0.255 nan 8.150 nan 0.000 0.445 188 F N 0.646 120.612 119.950 0.026 0.000 2.146 188 F HA -0.087 4.440 4.527 -0.001 0.000 0.298 188 F C 2.109 177.949 175.800 0.067 0.000 1.096 188 F CA 2.021 60.047 58.000 0.043 0.000 1.275 188 F CB -0.183 38.841 39.000 0.040 0.000 1.008 188 F HN 0.119 nan 8.300 nan 0.000 0.480 189 K N -0.008 120.454 120.400 0.104 0.000 2.097 189 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 189 K C 2.152 178.708 176.600 -0.073 0.000 1.049 189 K CA 1.545 57.836 56.287 0.006 0.000 0.933 189 K CB -0.234 32.320 32.500 0.091 0.000 0.717 189 K HN 0.243 nan 8.250 nan 0.000 0.442 190 R N 0.543 121.036 120.500 -0.012 0.000 2.152 190 R HA -0.063 4.276 4.340 -0.000 0.000 0.232 190 R C 2.150 178.511 176.300 0.103 0.000 1.117 190 R CA 0.990 57.117 56.100 0.046 0.000 0.981 190 R CB -0.187 30.147 30.300 0.055 0.000 0.870 190 R HN 0.192 nan 8.270 nan 0.000 0.451 191 L N -0.593 120.611 121.223 -0.031 0.000 2.130 191 L HA -0.047 4.293 4.340 -0.000 0.000 0.200 191 L C 2.206 179.048 176.870 -0.047 0.000 1.075 191 L CA 0.339 55.161 54.840 -0.030 0.000 0.768 191 L CB -0.283 41.704 42.059 -0.120 0.000 0.933 191 L HN 0.067 nan 8.230 nan 0.000 0.451 192 I N 0.918 121.294 120.570 -0.323 0.000 2.454 192 I HA -0.259 3.911 4.170 -0.000 0.000 0.254 192 I C 2.733 178.788 176.117 -0.103 0.000 1.156 192 I CA 1.281 62.419 61.300 -0.271 0.000 1.433 192 I CB -0.325 37.370 38.000 -0.508 0.000 1.082 192 I HN 0.223 nan 8.210 nan 0.000 0.432 193 R N -0.750 119.618 120.500 -0.219 0.000 2.237 193 R HA -0.127 4.213 4.340 -0.000 0.000 0.219 193 R C 1.523 177.586 176.300 -0.394 0.000 1.080 193 R CA 1.500 57.316 56.100 -0.474 0.000 0.995 193 R CB -0.899 29.105 30.300 -0.494 0.000 0.875 193 R HN 0.294 nan 8.270 nan 0.000 0.462 194 F N 0.949 120.843 119.950 -0.094 0.000 2.776 194 F HA 0.210 4.737 4.527 -0.000 0.000 0.300 194 F C 0.502 176.317 175.800 0.024 0.000 1.116 194 F CA -0.335 57.645 58.000 -0.033 0.000 1.375 194 F CB 0.669 39.642 39.000 -0.045 0.000 1.109 194 F HN -0.230 nan 8.300 nan 0.000 0.585 195 V N 3.817 123.857 119.914 0.211 0.000 2.488 195 V HA 0.154 4.274 4.120 -0.000 0.000 0.277 195 V C -1.828 174.355 176.094 0.149 0.000 1.046 195 V CA -1.922 60.478 62.300 0.168 0.000 0.986 195 V CB 0.464 32.376 31.823 0.147 0.000 0.989 195 V HN -0.123 nan 8.190 nan 0.000 0.475 196 P HA 0.177 nan 4.420 nan 0.000 0.272 196 P C -2.320 174.927 177.300 -0.089 0.000 1.223 196 P CA -1.646 61.473 63.100 0.033 0.000 0.784 196 P CB 0.314 32.038 31.700 0.040 0.000 0.923 197 P HA -0.197 nan 4.420 nan 0.000 0.217 197 P C 1.697 178.954 177.300 -0.070 0.000 1.148 197 P CA 1.888 64.828 63.100 -0.266 0.000 0.828 197 P CB -0.420 31.180 31.700 -0.167 0.000 0.783 198 S N -1.542 114.159 115.700 0.001 0.000 2.442 198 S HA -0.082 4.388 4.470 -0.000 0.000 0.236 198 S C 1.540 176.245 174.600 0.174 0.000 1.007 198 S CA 1.091 59.333 58.200 0.070 0.000 0.965 198 S CB -1.105 62.130 63.200 0.057 0.000 0.773 198 S HN 0.157 nan 8.310 nan 0.000 0.504 199 L N 1.111 122.441 121.223 0.179 0.000 2.920 199 L HA 0.237 4.577 4.340 -0.000 0.000 0.257 199 L C 2.306 179.401 176.870 0.375 0.000 1.150 199 L CA 0.520 55.563 54.840 0.339 0.000 0.959 199 L CB 0.037 42.212 42.059 0.193 0.000 1.321 199 L HN 0.384 nan 8.230 nan 0.000 0.555 200 S N -0.191 115.623 115.700 0.190 0.000 2.382 200 S HA -0.252 4.218 4.470 -0.000 0.000 0.228 200 S C 1.635 176.494 174.600 0.430 0.000 1.027 200 S CA 0.860 59.179 58.200 0.198 0.000 0.991 200 S CB -0.730 62.339 63.200 -0.220 0.000 0.823 200 S HN 0.611 nan 8.310 nan 0.000 0.469 201 W N 1.953 123.375 121.300 0.204 0.000 2.321 201 W HA -0.192 4.468 4.660 -0.000 0.000 0.306 201 W C 1.701 178.184 176.519 -0.061 0.000 1.217 201 W CA 1.558 58.905 57.345 0.004 0.000 1.257 201 W CB -0.559 28.748 29.460 -0.255 0.000 1.145 201 W HN 0.333 nan 8.180 nan 0.000 0.509 202 Y N 0.038 120.471 120.300 0.222 0.000 2.224 202 Y HA -0.074 4.476 4.550 -0.000 0.000 0.289 202 Y C 2.723 178.608 175.900 -0.026 0.000 1.146 202 Y CA 1.599 59.728 58.100 0.049 0.000 1.182 202 Y CB -1.346 37.240 38.460 0.210 0.000 0.983 202 Y HN 0.036 nan 8.280 nan 0.000 0.524 203 G N -0.167 108.762 108.800 0.215 0.000 2.421 203 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.216 203 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.216 203 G C 1.940 176.969 174.900 0.215 0.000 1.171 203 G CA 1.105 46.337 45.100 0.221 0.000 0.775 203 G HN 0.477 nan 8.290 nan 0.000 0.543 204 A N 0.087 122.972 122.820 0.110 0.000 1.877 204 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 204 A C 2.236 179.488 177.584 -0.555 0.000 1.186 204 A CA 1.802 53.711 52.037 -0.212 0.000 0.620 204 A CB -0.840 17.858 19.000 -0.502 0.000 0.822 204 A HN 0.482 nan 8.150 nan 0.000 0.443 205 Y N 0.666 120.402 120.300 -0.940 0.000 2.193 205 Y HA -0.182 4.367 4.550 -0.000 0.000 0.285 205 Y C 1.812 177.399 175.900 -0.521 0.000 1.166 205 Y CA 1.876 59.377 58.100 -0.998 0.000 1.181 205 Y CB -0.323 37.359 38.460 -1.296 0.000 0.976 205 Y HN 0.223 nan 8.280 nan 0.000 0.520 206 L N -0.017 121.017 121.223 -0.315 0.000 2.465 206 L HA -0.066 4.274 4.340 -0.000 0.000 0.224 206 L C 1.488 178.207 176.870 -0.253 0.000 1.145 206 L CA 0.817 55.516 54.840 -0.235 0.000 0.834 206 L CB -0.352 41.690 42.059 -0.027 0.000 0.944 206 L HN 0.309 nan 8.230 nan 0.000 0.451 207 V N -4.147 115.572 119.914 -0.326 0.000 3.121 207 V HA 0.305 4.425 4.120 -0.000 0.000 0.344 207 V C 0.253 176.101 176.094 -0.409 0.000 1.390 207 V CA -0.416 61.683 62.300 -0.336 0.000 1.177 207 V CB -0.818 30.768 31.823 -0.395 0.000 1.163 207 V HN 0.565 nan 8.190 nan 0.000 0.484 208 N N 0.277 118.670 118.700 -0.512 0.000 2.754 208 N HA -0.135 4.605 4.740 -0.000 0.000 0.248 208 N C 0.087 175.256 175.510 -0.569 0.000 1.093 208 N CA 0.724 53.478 53.050 -0.492 0.000 0.699 208 N CB -1.173 37.178 38.487 -0.227 0.000 1.016 208 N HN 1.052 nan 8.380 nan 0.000 0.552 209 A N 0.174 122.497 122.820 -0.828 0.000 2.355 209 A HA 0.754 5.074 4.320 -0.000 0.000 0.324 209 A C -1.106 175.870 177.584 -1.013 0.000 1.117 209 A CA -0.428 51.144 52.037 -0.774 0.000 0.785 209 A CB 0.958 19.545 19.000 -0.689 0.000 1.254 209 A HN 0.273 nan 8.150 nan 0.000 0.453 210 Y N 1.649 121.768 120.300 -0.301 0.000 2.646 210 Y HA 0.361 4.911 4.550 -0.000 0.000 0.334 210 Y C -2.518 173.290 175.900 -0.153 0.000 1.004 210 Y CA -2.293 55.727 58.100 -0.134 0.000 1.301 210 Y CB 1.228 39.722 38.460 0.057 0.000 1.093 210 Y HN 0.463 nan 8.280 nan 0.000 0.530 211 P HA 0.065 nan 4.420 nan 0.000 0.267 211 P C -0.461 176.866 177.300 0.045 0.000 1.200 211 P CA 0.255 63.260 63.100 -0.159 0.000 0.772 211 P CB 0.886 32.344 31.700 -0.404 0.000 0.855 212 L N 1.451 122.705 121.223 0.053 0.000 2.334 212 L HA 0.429 4.768 4.340 -0.000 0.000 0.272 212 L C 0.900 177.815 176.870 0.076 0.000 1.020 212 L CA -0.904 53.974 54.840 0.062 0.000 0.812 212 L CB 1.191 43.298 42.059 0.079 0.000 1.264 212 L HN 0.337 nan 8.230 nan 0.000 0.439 216 Q N -0.057 120.032 119.800 0.482 0.000 2.398 216 Q HA 0.260 4.600 4.340 -0.000 0.000 0.204 216 Q C 0.772 177.036 176.000 0.440 0.000 0.932 216 Q CA 0.727 56.794 55.803 0.441 0.000 0.916 216 Q CB -0.217 28.728 28.738 0.346 0.000 1.024 216 Q HN 0.638 nan 8.270 nan 0.000 0.504 217 Y N 0.012 120.494 120.300 0.303 0.000 2.293 217 Y HA -0.219 4.330 4.550 -0.001 0.000 0.291 217 Y C 1.924 177.948 175.900 0.208 0.000 1.137 217 Y CA 0.796 59.065 58.100 0.282 0.000 1.202 217 Y CB -0.635 38.017 38.460 0.320 0.000 0.990 217 Y HN 0.273 nan 8.280 nan 0.000 0.537 218 F N -0.032 120.101 119.950 0.305 0.000 2.269 218 F HA -0.100 4.427 4.527 -0.001 0.000 0.301 218 F C 1.884 177.709 175.800 0.042 0.000 1.082 218 F CA 1.099 59.221 58.000 0.203 0.000 1.360 218 F CB -0.739 38.352 39.000 0.153 0.000 1.041 218 F HN -0.237 nan 8.300 nan 0.000 0.512 219 R N 0.902 120.809 120.500 -0.988 0.000 2.323 219 R HA 0.091 4.431 4.340 -0.000 0.000 0.198 219 R C 1.943 177.479 176.300 -1.273 0.000 0.988 219 R CA 0.355 55.794 56.100 -1.102 0.000 1.041 219 R CB -0.404 29.263 30.300 -1.054 0.000 0.926 219 R HN 0.456 nan 8.270 nan 0.000 0.476 220 L N -0.165 120.463 121.223 -0.991 0.000 2.079 220 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 220 L C 0.202 176.520 176.870 -0.920 0.000 1.081 220 L CA 1.307 55.504 54.840 -1.071 0.000 0.752 220 L CB -0.080 41.254 42.059 -1.209 0.000 0.896 220 L HN -0.004 nan 8.230 nan 0.000 0.433 221 F N -1.237 118.626 119.950 -0.145 0.000 2.561 221 F HA 0.361 4.888 4.527 -0.000 0.000 0.321 221 F C 0.843 176.602 175.800 -0.069 0.000 1.065 221 F CA -1.504 56.480 58.000 -0.028 0.000 0.934 221 F CB 0.773 39.837 39.000 0.108 0.000 1.215 221 F HN -0.063 nan 8.300 nan 0.000 0.471 222 N N 0.526 119.313 118.700 0.144 0.000 2.725 222 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 222 N C -0.907 174.614 175.510 0.019 0.000 1.103 222 N CA 0.884 53.963 53.050 0.048 0.000 0.707 222 N CB -0.983 37.537 38.487 0.055 0.000 1.043 222 N HN 0.438 nan 8.380 nan 0.000 0.553 223 S N -0.943 114.741 115.700 -0.028 0.000 2.570 223 S HA 0.752 5.222 4.470 -0.000 0.000 0.286 223 S C -0.015 174.602 174.600 0.029 0.000 1.099 223 S CA -0.484 57.686 58.200 -0.049 0.000 0.913 223 S CB 3.531 66.557 63.200 -0.291 0.000 1.085 223 S HN 0.245 nan 8.310 nan 0.000 0.480 224 T N 0.727 115.374 114.554 0.156 0.000 2.769 224 T HA 0.490 4.840 4.350 -0.000 0.000 0.306 224 T C -1.840 173.004 174.700 0.240 0.000 1.400 224 T CA -0.704 61.534 62.100 0.230 0.000 1.007 224 T CB 1.390 70.455 68.868 0.328 0.000 1.392 224 T HN 0.595 nan 8.240 nan 0.000 0.500 225 R N 2.587 123.241 120.500 0.256 0.000 2.294 225 R HA 0.608 4.948 4.340 -0.000 0.000 0.319 225 R C -0.750 175.663 176.300 0.189 0.000 0.984 225 R CA -0.647 55.584 56.100 0.219 0.000 0.861 225 R CB 0.403 30.842 30.300 0.232 0.000 1.104 225 R HN 0.455 nan 8.270 nan 0.000 0.451 226 I N 7.037 127.675 120.570 0.112 0.000 2.336 226 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 226 I C -2.084 173.990 176.117 -0.072 0.000 0.991 226 I CA -2.966 58.334 61.300 0.001 0.000 1.227 226 I CB 1.455 39.433 38.000 -0.036 0.000 1.366 226 I HN 0.526 nan 8.210 nan 0.000 0.466 227 P HA 0.258 nan 4.420 nan 0.000 0.276 227 P C -0.554 176.617 177.300 -0.215 0.000 1.243 227 P CA -0.294 62.661 63.100 -0.242 0.000 0.768 227 P CB 1.075 32.446 31.700 -0.548 0.000 0.856 228 R N 3.105 123.542 120.500 -0.105 0.000 2.808 228 R HA 0.541 4.881 4.340 -0.000 0.000 0.272 228 R C -2.690 173.586 176.300 -0.041 0.000 0.995 228 R CA -2.460 53.593 56.100 -0.079 0.000 0.917 228 R CB 0.748 31.022 30.300 -0.044 0.000 1.217 228 R HN 0.257 nan 8.270 nan 0.000 0.471 229 P HA 0.118 nan 4.420 nan 0.000 0.267 229 P C -0.029 177.272 177.300 0.002 0.000 1.200 229 P CA 0.209 63.304 63.100 -0.009 0.000 0.772 229 P CB 0.480 32.178 31.700 -0.004 0.000 0.855 230 N N -0.462 118.243 118.700 0.009 0.000 1.771 230 N HA -0.240 4.500 4.740 -0.000 0.000 0.215 230 N C 0.277 175.798 175.510 0.018 0.000 0.901 230 N CA 1.766 54.824 53.050 0.013 0.000 4.070 230 N CB -0.868 37.627 38.487 0.013 0.000 0.698 230 N HN 0.605 nan 8.380 nan 0.000 0.274 231 R N 1.219 121.731 120.500 0.020 0.000 2.522 231 R HA 0.256 4.595 4.340 -0.000 0.000 0.273 231 R C -1.857 174.459 176.300 0.026 0.000 1.133 231 R CA -0.474 55.643 56.100 0.030 0.000 0.969 231 R CB 1.149 31.474 30.300 0.042 0.000 1.235 231 R HN -0.065 nan 8.270 nan 0.000 0.433 232 D N 1.936 122.355 120.400 0.032 0.000 2.361 232 D HA 0.026 4.666 4.640 -0.000 0.000 0.239 232 D C -0.302 176.026 176.300 0.046 0.000 1.200 232 D CA 0.267 54.286 54.000 0.033 0.000 0.915 232 D CB 0.912 41.743 40.800 0.052 0.000 1.170 232 D HN 0.463 nan 8.370 nan 0.000 0.444 233 E N 0.674 120.904 120.200 0.050 0.000 2.179 233 E HA 0.348 4.698 4.350 -0.000 0.000 0.275 233 E C -0.990 175.674 176.600 0.106 0.000 0.945 233 E CA -0.660 55.782 56.400 0.070 0.000 0.792 233 E CB 0.792 30.537 29.700 0.074 0.000 1.125 233 E HN 0.298 nan 8.360 nan 0.000 0.397 234 L N 5.266 126.544 121.223 0.092 0.000 2.265 234 L HA 0.391 4.730 4.340 -0.000 0.000 0.288 234 L C -0.481 176.484 176.870 0.158 0.000 1.058 234 L CA -0.703 54.203 54.840 0.110 0.000 0.809 234 L CB 0.462 42.540 42.059 0.033 0.000 1.179 234 L HN 0.549 nan 8.230 nan 0.000 0.429 235 F N 2.839 122.809 119.950 0.032 0.000 2.469 235 F HA 0.604 5.131 4.527 -0.001 0.000 0.332 235 F C -0.274 175.549 175.800 0.038 0.000 1.103 235 F CA -0.124 57.902 58.000 0.043 0.000 0.979 235 F CB 1.823 40.854 39.000 0.051 0.000 1.137 235 F HN 0.285 nan 8.300 nan 0.000 0.463 236 T N 4.521 118.663 114.554 -0.687 0.000 2.916 236 T HA 0.247 4.597 4.350 -0.000 0.000 0.298 236 T C -1.887 172.362 174.700 -0.752 0.000 1.031 236 T CA -0.586 61.224 62.100 -0.482 0.000 0.993 236 T CB 1.417 70.254 68.868 -0.053 0.000 1.045 236 T HN 0.508 nan 8.240 nan 0.000 0.454 237 D N 1.801 121.945 120.400 -0.428 0.000 2.420 237 D HA 0.245 4.884 4.640 -0.000 0.000 0.255 237 D C 1.445 177.717 176.300 -0.047 0.000 1.185 237 D CA -0.514 53.359 54.000 -0.212 0.000 0.904 237 D CB 1.032 41.821 40.800 -0.019 0.000 1.102 237 D HN 0.547 nan 8.370 nan 0.000 0.534 238 T N 0.555 115.092 114.554 -0.028 0.000 3.007 238 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 238 T C 1.361 176.077 174.700 0.025 0.000 1.107 238 T CA 0.800 62.914 62.100 0.023 0.000 1.118 238 T CB -0.003 68.880 68.868 0.025 0.000 0.889 238 T HN 0.281 nan 8.240 nan 0.000 0.506 239 K N 1.335 121.749 120.400 0.022 0.000 2.296 239 K HA 0.371 4.691 4.320 -0.000 0.000 0.200 239 K C 1.221 177.850 176.600 0.050 0.000 1.048 239 K CA 0.346 56.654 56.287 0.035 0.000 0.966 239 K CB -0.064 32.459 32.500 0.038 0.000 0.754 239 K HN 0.476 nan 8.250 nan 0.000 0.466 240 A N 1.623 124.475 122.820 0.054 0.000 2.425 240 A HA 0.140 4.460 4.320 -0.000 0.000 0.249 240 A C 0.468 178.061 177.584 0.015 0.000 1.084 240 A CA -0.071 52.009 52.037 0.072 0.000 0.781 240 A CB 0.311 19.332 19.000 0.036 0.000 1.019 240 A HN 0.267 nan 8.150 nan 0.000 0.490 241 R N 0.227 120.768 120.500 0.069 0.000 2.509 241 R HA 0.107 4.446 4.340 -0.000 0.000 0.297 241 R C -0.160 176.145 176.300 0.010 0.000 0.951 241 R CA -0.134 55.985 56.100 0.031 0.000 1.103 241 R CB 0.273 30.611 30.300 0.065 0.000 1.283 241 R HN 0.953 nan 8.270 nan 0.000 0.534 242 H N -0.445 118.582 119.070 -0.073 0.000 2.533 242 H HA 0.307 4.863 4.556 -0.001 0.000 0.343 242 H C -0.888 174.284 175.328 -0.260 0.000 1.160 242 H CA -0.972 54.986 56.048 -0.150 0.000 1.218 242 H CB 1.560 31.253 29.762 -0.116 0.000 1.566 242 H HN -0.143 nan 8.280 nan 0.000 0.522 243 L N 2.291 123.268 121.223 -0.410 0.000 2.357 243 L HA 0.286 4.625 4.340 -0.000 0.000 0.273 243 L C -0.835 175.799 176.870 -0.394 0.000 1.080 243 L CA -0.790 53.693 54.840 -0.596 0.000 0.803 243 L CB 1.018 42.569 42.059 -0.847 0.000 1.174 243 L HN 0.617 nan 8.230 nan 0.000 0.443 244 L N 5.331 126.355 121.223 -0.332 0.000 2.295 244 L HA 0.679 5.019 4.340 -0.000 0.000 0.285 244 L C -1.130 175.647 176.870 -0.155 0.000 1.035 244 L CA -0.134 54.614 54.840 -0.154 0.000 0.806 244 L CB 1.604 43.593 42.059 -0.115 0.000 1.214 244 L HN 0.397 nan 8.230 nan 0.000 0.426 245 V N 6.259 126.161 119.914 -0.019 0.000 2.487 245 V HA 0.446 4.566 4.120 -0.000 0.000 0.298 245 V C -0.201 175.938 176.094 0.076 0.000 1.028 245 V CA -0.637 61.687 62.300 0.039 0.000 0.860 245 V CB 1.673 33.572 31.823 0.128 0.000 0.991 245 V HN 0.608 nan 8.190 nan 0.000 0.427 246 L N 4.997 126.199 121.223 -0.035 0.000 2.282 246 L HA 0.748 5.088 4.340 -0.000 0.000 0.288 246 L C -0.150 176.726 176.870 0.009 0.000 1.033 246 L CA -0.501 54.275 54.840 -0.108 0.000 0.807 246 L CB 1.544 43.435 42.059 -0.280 0.000 1.209 246 L HN 0.613 nan 8.230 nan 0.000 0.423 247 R N 3.393 123.966 120.500 0.122 0.000 2.515 247 R HA 0.282 4.621 4.340 -0.000 0.000 0.291 247 R C -0.534 175.871 176.300 0.175 0.000 1.046 247 R CA -0.769 55.407 56.100 0.126 0.000 0.914 247 R CB 0.862 31.235 30.300 0.122 0.000 1.191 247 R HN 0.480 nan 8.270 nan 0.000 0.435 248 K N 3.331 123.782 120.400 0.085 0.000 2.975 248 K HA -0.254 4.066 4.320 -0.000 0.000 0.257 248 K C 0.544 177.098 176.600 -0.078 0.000 1.005 248 K CA 1.127 57.451 56.287 0.061 0.000 0.738 248 K CB -1.464 31.129 32.500 0.156 0.000 1.236 248 K HN 1.174 nan 8.250 nan 0.000 0.483 249 G N -0.321 108.407 108.800 -0.121 0.000 2.184 249 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.264 249 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.264 249 G C -0.010 174.792 174.900 -0.163 0.000 0.975 249 G CA 0.622 45.602 45.100 -0.200 0.000 0.642 249 G HN 0.564 nan 8.290 nan 0.000 0.536 250 H N -0.808 118.304 119.070 0.071 0.000 2.482 250 H HA 0.581 5.137 4.556 -0.000 0.000 0.344 250 H C -0.259 175.068 175.328 -0.002 0.000 1.151 250 H CA -0.232 55.873 56.048 0.096 0.000 1.300 250 H CB 0.785 30.534 29.762 -0.022 0.000 1.494 250 H HN 0.142 nan 8.280 nan 0.000 0.542 251 F N 1.749 121.634 119.950 -0.107 0.000 2.444 251 F HA 0.293 4.820 4.527 -0.001 0.000 0.342 251 F C -0.509 175.109 175.800 -0.304 0.000 1.121 251 F CA -0.721 57.224 58.000 -0.091 0.000 0.997 251 F CB 0.996 39.983 39.000 -0.022 0.000 1.130 251 F HN 0.370 nan 8.300 nan 0.000 0.454 252 Y N 1.970 122.376 120.300 0.177 0.000 2.462 252 Y HA 0.650 5.200 4.550 -0.000 0.000 0.346 252 Y C -0.441 175.520 175.900 0.102 0.000 0.976 252 Y CA -1.407 56.785 58.100 0.154 0.000 1.044 252 Y CB 2.145 40.718 38.460 0.189 0.000 1.230 252 Y HN 0.364 nan 8.280 nan 0.000 0.455 253 V N 1.068 121.120 119.914 0.229 0.000 2.735 253 V HA 0.892 5.011 4.120 -0.000 0.000 0.310 253 V C -1.159 175.038 176.094 0.171 0.000 1.061 253 V CA -1.162 61.199 62.300 0.103 0.000 0.913 253 V CB 1.692 33.509 31.823 -0.011 0.000 1.005 253 V HN 0.707 nan 8.190 nan 0.000 0.428 254 F N 0.250 120.232 119.950 0.053 0.000 2.654 254 F HA 0.767 5.294 4.527 -0.000 0.000 0.308 254 F C -0.958 174.880 175.800 0.064 0.000 1.108 254 F CA -1.044 56.953 58.000 -0.004 0.000 0.957 254 F CB 1.083 40.017 39.000 -0.110 0.000 1.309 254 F HN 0.453 nan 8.300 nan 0.000 0.446 255 D N 1.852 122.423 120.400 0.285 0.000 2.390 255 D HA 0.322 4.961 4.640 -0.000 0.000 0.249 255 D C 1.114 177.566 176.300 0.253 0.000 1.144 255 D CA 0.102 54.218 54.000 0.194 0.000 0.880 255 D CB 2.004 42.898 40.800 0.157 0.000 1.182 255 D HN 0.632 nan 8.370 nan 0.000 0.451 256 V N 0.121 120.094 119.914 0.098 0.000 3.661 256 V HA 0.305 4.425 4.120 -0.000 0.000 0.271 256 V C 0.485 176.627 176.094 0.079 0.000 1.315 256 V CA 0.044 62.414 62.300 0.116 0.000 1.072 256 V CB -0.291 31.555 31.823 0.037 0.000 0.830 256 V HN 0.252 nan 8.190 nan 0.000 0.443 257 L N 2.465 123.721 121.223 0.056 0.000 2.365 257 L HA 0.617 4.957 4.340 -0.000 0.000 0.273 257 L C -0.291 176.611 176.870 0.053 0.000 1.000 257 L CA -0.759 54.106 54.840 0.041 0.000 0.819 257 L CB 1.934 44.005 42.059 0.021 0.000 1.284 257 L HN 0.289 nan 8.230 nan 0.000 0.418 258 D N 0.687 121.114 120.400 0.045 0.000 2.447 258 D HA 0.036 4.675 4.640 -0.000 0.000 0.265 258 D C 0.588 176.910 176.300 0.037 0.000 1.250 258 D CA -0.304 53.723 54.000 0.045 0.000 1.046 258 D CB 0.575 41.398 40.800 0.037 0.000 1.095 258 D HN 0.474 nan 8.370 nan 0.000 0.555 259 Q N -1.163 118.657 119.800 0.033 0.000 2.364 259 Q HA -0.089 4.251 4.340 -0.000 0.000 0.209 259 Q C 0.431 176.446 176.000 0.025 0.000 0.977 259 Q CA 1.061 56.881 55.803 0.028 0.000 0.885 259 Q CB 0.070 28.823 28.738 0.024 0.000 0.941 259 Q HN 0.473 nan 8.270 nan 0.000 0.464 260 D N -1.431 118.983 120.400 0.024 0.000 2.350 260 D HA 0.063 4.703 4.640 -0.000 0.000 0.213 260 D C 1.023 177.338 176.300 0.025 0.000 1.031 260 D CA 0.884 54.898 54.000 0.023 0.000 0.861 260 D CB 0.840 41.653 40.800 0.020 0.000 0.926 260 D HN 0.363 nan 8.370 nan 0.000 0.520 261 G N 1.198 110.013 108.800 0.024 0.000 2.141 261 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.231 261 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.231 261 G C 0.027 174.934 174.900 0.012 0.000 0.984 261 G CA -0.313 44.801 45.100 0.023 0.000 0.660 261 G HN 0.324 nan 8.290 nan 0.000 0.525 262 N N -0.289 118.415 118.700 0.007 0.000 2.508 262 N HA 0.606 5.345 4.740 -0.000 0.000 0.285 262 N C 0.699 176.204 175.510 -0.009 0.000 1.144 262 N CA -0.730 52.312 53.050 -0.014 0.000 0.978 262 N CB 1.028 39.508 38.487 -0.010 0.000 1.180 262 N HN 0.244 nan 8.380 nan 0.000 0.484 263 I N 1.437 121.990 120.570 -0.028 0.000 2.648 263 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 263 I C 0.209 176.337 176.117 0.019 0.000 1.153 263 I CA -0.349 60.949 61.300 -0.002 0.000 1.426 263 I CB 0.310 38.301 38.000 -0.016 0.000 1.381 263 I HN 0.169 nan 8.210 nan 0.000 0.571 264 V N 6.166 126.111 119.914 0.051 0.000 2.763 264 V HA -0.103 4.017 4.120 -0.000 0.000 0.306 264 V C 0.907 177.023 176.094 0.037 0.000 1.059 264 V CA -0.159 62.177 62.300 0.061 0.000 1.138 264 V CB 0.574 32.468 31.823 0.119 0.000 0.940 264 V HN 0.777 nan 8.190 nan 0.000 0.489 265 N N 6.578 125.285 118.700 0.012 0.000 2.142 265 N HA -0.061 4.679 4.740 -0.000 0.000 0.282 265 N C -1.577 173.922 175.510 -0.017 0.000 1.342 265 N CA -0.866 52.178 53.050 -0.011 0.000 0.831 265 N CB 0.995 39.464 38.487 -0.029 0.000 1.083 265 N HN 0.328 nan 8.380 nan 0.000 0.492 266 P HA -0.133 nan 4.420 nan 0.000 0.218 266 P C 1.310 178.587 177.300 -0.038 0.000 1.146 266 P CA 1.104 64.203 63.100 -0.002 0.000 0.813 266 P CB 0.213 31.918 31.700 0.007 0.000 0.778 267 L N -0.972 120.216 121.223 -0.057 0.000 2.291 267 L HA -0.108 4.232 4.340 -0.000 0.000 0.214 267 L C 2.242 179.017 176.870 -0.158 0.000 1.120 267 L CA 1.250 56.037 54.840 -0.088 0.000 0.799 267 L CB -0.728 41.289 42.059 -0.070 0.000 0.925 267 L HN 0.053 nan 8.230 nan 0.000 0.446 268 E N 0.469 120.554 120.200 -0.192 0.000 2.076 268 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 268 E C 2.323 178.571 176.600 -0.586 0.000 0.979 268 E CA 0.850 57.017 56.400 -0.388 0.000 0.807 268 E CB 0.018 29.550 29.700 -0.279 0.000 0.761 268 E HN 0.436 nan 8.360 nan 0.000 0.454 269 I N 1.472 121.889 120.570 -0.256 0.000 2.208 269 I HA -0.345 3.824 4.170 -0.000 0.000 0.245 269 I C 2.830 178.853 176.117 -0.157 0.000 1.097 269 I CA 1.316 62.547 61.300 -0.114 0.000 1.363 269 I CB -0.290 37.789 38.000 0.131 0.000 1.051 269 I HN 0.175 nan 8.210 nan 0.000 0.413 270 Q N 1.042 120.767 119.800 -0.125 0.000 2.096 270 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 270 Q C 2.351 178.269 176.000 -0.137 0.000 0.982 270 Q CA 2.067 57.815 55.803 -0.093 0.000 0.850 270 Q CB -0.118 28.574 28.738 -0.077 0.000 0.901 270 Q HN 0.563 nan 8.270 nan 0.000 0.422 271 A N 0.227 122.910 122.820 -0.229 0.000 1.908 271 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 271 A C 1.608 179.106 177.584 -0.144 0.000 1.181 271 A CA 1.843 53.756 52.037 -0.207 0.000 0.627 271 A CB -1.014 17.818 19.000 -0.279 0.000 0.818 271 A HN 0.639 nan 8.150 nan 0.000 0.445 272 H N -0.589 118.309 119.070 -0.287 0.000 2.357 272 H HA 0.024 4.579 4.556 -0.000 0.000 0.301 272 H C 1.960 177.146 175.328 -0.237 0.000 1.082 272 H CA 1.135 56.925 56.048 -0.430 0.000 1.342 272 H CB -0.133 28.934 29.762 -1.158 0.000 1.389 272 H HN 0.355 nan 8.280 nan 0.000 0.511 273 L N 0.756 121.941 121.223 -0.063 0.000 2.141 273 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 273 L C 2.549 179.408 176.870 -0.018 0.000 1.094 273 L CA 1.130 55.980 54.840 0.018 0.000 0.763 273 L CB -0.268 41.832 42.059 0.069 0.000 0.908 273 L HN 0.240 nan 8.230 nan 0.000 0.437 274 K N -0.148 120.242 120.400 -0.016 0.000 2.057 274 K HA -0.256 4.064 4.320 -0.000 0.000 0.206 274 K C 2.333 178.931 176.600 -0.003 0.000 1.050 274 K CA 1.526 57.803 56.287 -0.016 0.000 0.935 274 K CB -0.266 32.224 32.500 -0.017 0.000 0.715 274 K HN 0.159 nan 8.250 nan 0.000 0.439 275 Y N 1.535 121.778 120.300 -0.095 0.000 2.097 275 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 275 Y C 1.738 177.548 175.900 -0.150 0.000 1.152 275 Y CA 1.868 59.910 58.100 -0.098 0.000 1.136 275 Y CB -0.320 38.089 38.460 -0.084 0.000 0.975 275 Y HN 0.023 nan 8.280 nan 0.000 0.498 276 I N -0.139 120.191 120.570 -0.400 0.000 2.179 276 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 276 I C 2.409 178.292 176.117 -0.391 0.000 1.088 276 I CA 1.399 62.302 61.300 -0.661 0.000 1.357 276 I CB -0.445 37.202 38.000 -0.587 0.000 1.051 276 I HN 0.268 nan 8.210 nan 0.000 0.409 277 L N -0.213 120.884 121.223 -0.210 0.000 2.131 277 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 277 L C 2.365 179.169 176.870 -0.111 0.000 1.092 277 L CA 1.152 55.918 54.840 -0.124 0.000 0.759 277 L CB -0.376 41.641 42.059 -0.071 0.000 0.903 277 L HN 0.173 nan 8.230 nan 0.000 0.435 278 S N -1.760 113.862 115.700 -0.129 0.000 2.528 278 S HA -0.050 4.420 4.470 -0.000 0.000 0.219 278 S C 0.459 174.991 174.600 -0.114 0.000 0.985 278 S CA -0.263 57.882 58.200 -0.091 0.000 0.914 278 S CB -0.332 62.833 63.200 -0.058 0.000 0.776 278 S HN 0.398 nan 8.310 nan 0.000 0.526 279 D N 1.918 122.193 120.400 -0.208 0.000 2.533 279 D HA 0.016 4.656 4.640 -0.000 0.000 0.236 279 D C 1.047 177.297 176.300 -0.083 0.000 1.137 279 D CA 0.340 54.220 54.000 -0.200 0.000 0.867 279 D CB 0.692 41.315 40.800 -0.296 0.000 1.170 279 D HN 0.179 nan 8.370 nan 0.000 0.474 280 S N 1.309 116.978 115.700 -0.052 0.000 2.593 280 S HA 0.066 4.535 4.470 -0.000 0.000 0.217 280 S C 0.438 175.041 174.600 0.004 0.000 0.966 280 S CA -0.647 57.544 58.200 -0.013 0.000 0.914 280 S CB 0.081 63.278 63.200 -0.005 0.000 0.776 280 S HN 0.275 nan 8.310 nan 0.000 0.523 281 S N 4.809 120.501 115.700 -0.013 0.000 2.549 281 S HA 0.294 4.764 4.470 -0.000 0.000 0.286 281 S C -1.870 172.799 174.600 0.116 0.000 1.314 281 S CA -0.713 57.490 58.200 0.004 0.000 1.062 281 S CB 0.278 63.373 63.200 -0.176 0.000 0.865 281 S HN 0.495 nan 8.310 nan 0.000 0.498 282 P HA 0.190 nan 4.420 nan 0.000 0.274 282 P C -0.144 177.308 177.300 0.253 0.000 1.256 282 P CA -0.653 62.538 63.100 0.151 0.000 0.795 282 P CB 0.242 31.997 31.700 0.092 0.000 1.038 283 V N -2.130 117.857 119.914 0.123 0.000 2.814 283 V HA 0.129 4.249 4.120 -0.000 0.000 0.307 283 V C -2.068 174.007 176.094 -0.031 0.000 1.089 283 V CA -1.204 61.096 62.300 -0.001 0.000 1.212 283 V CB -1.340 30.470 31.823 -0.021 0.000 0.912 283 V HN 0.494 nan 8.190 nan 0.000 0.497 284 P HA 0.151 nan 4.420 nan 0.000 0.272 284 P C 0.612 177.871 177.300 -0.068 0.000 1.223 284 P CA -0.136 62.931 63.100 -0.056 0.000 0.784 284 P CB 0.788 32.441 31.700 -0.080 0.000 0.923 285 E N 0.658 120.807 120.200 -0.086 0.000 2.153 285 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 285 E C -0.346 175.868 176.600 -0.642 0.000 0.988 285 E CA 1.022 57.211 56.400 -0.353 0.000 0.811 285 E CB -0.079 29.403 29.700 -0.363 0.000 0.746 285 E HN 0.410 nan 8.360 nan 0.000 0.466 286 F N 0.482 120.458 119.950 0.043 0.000 2.686 286 F HA 0.337 4.863 4.527 -0.001 0.000 0.365 286 F C -2.431 173.404 175.800 0.058 0.000 1.196 286 F CA -2.562 55.468 58.000 0.050 0.000 1.198 286 F CB 1.493 40.508 39.000 0.025 0.000 1.454 286 F HN -0.178 nan 8.300 nan 0.000 0.539 287 P HA 0.058 nan 4.420 nan 0.000 0.265 287 P C 1.010 178.399 177.300 0.147 0.000 1.222 287 P CA 0.214 63.386 63.100 0.120 0.000 0.767 287 P CB 1.081 32.772 31.700 -0.016 0.000 0.801 288 V N 3.644 123.614 119.914 0.094 0.000 2.626 288 V HA -0.245 3.875 4.120 -0.000 0.000 0.252 288 V C 2.323 178.466 176.094 0.080 0.000 1.067 288 V CA 2.288 64.562 62.300 -0.044 0.000 1.081 288 V CB -1.360 30.133 31.823 -0.551 0.000 0.686 288 V HN 0.589 nan 8.190 nan 0.000 0.468 289 A N -0.840 122.115 122.820 0.226 0.000 2.024 289 A HA -0.253 4.066 4.320 -0.000 0.000 0.220 289 A C 2.007 179.460 177.584 -0.217 0.000 1.164 289 A CA 1.696 53.778 52.037 0.075 0.000 0.643 289 A CB -0.769 18.193 19.000 -0.062 0.000 0.806 289 A HN 0.552 nan 8.150 nan 0.000 0.451 290 Y N 0.154 120.344 120.300 -0.184 0.000 2.241 290 Y HA -0.222 4.327 4.550 -0.000 0.000 0.286 290 Y C 2.122 177.828 175.900 -0.323 0.000 1.166 290 Y CA 1.490 59.448 58.100 -0.237 0.000 1.203 290 Y CB -0.559 37.795 38.460 -0.176 0.000 0.977 290 Y HN 0.253 nan 8.280 nan 0.000 0.529 291 L N -0.680 120.344 121.223 -0.332 0.000 2.127 291 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 291 L C 2.349 178.480 176.870 -1.233 0.000 1.089 291 L CA 1.870 56.263 54.840 -0.744 0.000 0.757 291 L CB -1.073 40.370 42.059 -1.026 0.000 0.899 291 L HN 0.341 nan 8.230 nan 0.000 0.434 292 T N -4.200 109.698 114.554 -1.093 0.000 3.113 292 T HA -0.068 4.282 4.350 -0.000 0.000 0.263 292 T C 1.717 176.244 174.700 -0.287 0.000 1.143 292 T CA 0.830 62.406 62.100 -0.874 0.000 1.090 292 T CB -0.243 68.140 68.868 -0.808 0.000 0.922 292 T HN 0.414 nan 8.240 nan 0.000 0.521 293 S N -0.517 115.079 115.700 -0.174 0.000 2.575 293 S HA 0.192 4.661 4.470 -0.000 0.000 0.215 293 S C 0.623 175.199 174.600 -0.040 0.000 0.966 293 S CA -0.545 57.608 58.200 -0.077 0.000 0.911 293 S CB -0.068 63.199 63.200 0.112 0.000 0.780 293 S HN 0.385 nan 8.310 nan 0.000 0.514 294 E N 2.947 123.097 120.200 -0.082 0.000 2.369 294 E HA 0.117 4.467 4.350 -0.000 0.000 0.255 294 E C 0.153 176.799 176.600 0.077 0.000 1.172 294 E CA -0.321 56.084 56.400 0.008 0.000 0.932 294 E CB 0.337 30.051 29.700 0.023 0.000 1.040 294 E HN 0.435 nan 8.360 nan 0.000 0.454 295 N N 1.515 120.261 118.700 0.077 0.000 2.294 295 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 295 N C 0.684 176.287 175.510 0.155 0.000 1.242 295 N CA 0.148 53.255 53.050 0.094 0.000 0.848 295 N CB 0.560 39.086 38.487 0.064 0.000 1.084 295 N HN 0.229 nan 8.380 nan 0.000 0.457 296 R N 2.513 123.103 120.500 0.150 0.000 2.115 296 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 296 R C 0.998 177.366 176.300 0.113 0.000 1.111 296 R CA 0.905 57.105 56.100 0.167 0.000 0.976 296 R CB -0.528 29.848 30.300 0.127 0.000 0.870 296 R HN 0.662 nan 8.270 nan 0.000 0.445 297 D N 0.344 120.794 120.400 0.085 0.000 2.117 297 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 297 D C 2.011 178.356 176.300 0.075 0.000 0.982 297 D CA 0.823 54.858 54.000 0.057 0.000 0.828 297 D CB 0.016 40.842 40.800 0.044 0.000 0.967 297 D HN -0.057 nan 8.370 nan 0.000 0.464 298 V N 0.729 120.706 119.914 0.106 0.000 2.295 298 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 298 V C 2.186 178.404 176.094 0.207 0.000 1.049 298 V CA 1.511 63.885 62.300 0.123 0.000 1.024 298 V CB -0.581 31.307 31.823 0.108 0.000 0.648 298 V HN 0.419 nan 8.190 nan 0.000 0.447 299 W N 0.556 121.856 121.300 0.001 0.000 2.402 299 W HA -0.136 4.523 4.660 -0.001 0.000 0.286 299 W C 2.368 178.882 176.519 -0.008 0.000 1.221 299 W CA 0.844 58.186 57.345 -0.006 0.000 1.257 299 W CB 0.011 29.466 29.460 -0.007 0.000 1.120 299 W HN 0.294 nan 8.180 nan 0.000 0.551 300 A N 0.813 123.593 122.820 -0.068 0.000 1.883 300 A HA -0.319 4.000 4.320 -0.000 0.000 0.217 300 A C 1.873 179.357 177.584 -0.167 0.000 1.186 300 A CA 2.136 54.041 52.037 -0.220 0.000 0.624 300 A CB -1.144 17.788 19.000 -0.114 0.000 0.822 300 A HN 0.534 nan 8.150 nan 0.000 0.444 301 E N -0.353 119.820 120.200 -0.046 0.000 2.072 301 E HA -0.118 4.231 4.350 -0.000 0.000 0.191 301 E C 1.952 178.538 176.600 -0.024 0.000 0.985 301 E CA 0.941 57.325 56.400 -0.027 0.000 0.801 301 E CB -0.183 29.533 29.700 0.027 0.000 0.750 301 E HN 0.623 nan 8.360 nan 0.000 0.452 302 L N 0.416 121.680 121.223 0.069 0.000 2.093 302 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 302 L C 2.878 179.794 176.870 0.077 0.000 1.085 302 L CA 1.000 55.918 54.840 0.131 0.000 0.755 302 L CB -0.362 41.863 42.059 0.277 0.000 0.904 302 L HN 0.124 nan 8.230 nan 0.000 0.435 303 R N -0.055 120.386 120.500 -0.099 0.000 2.081 303 R HA -0.225 4.114 4.340 -0.000 0.000 0.235 303 R C 2.351 178.484 176.300 -0.277 0.000 1.131 303 R CA 1.500 57.419 56.100 -0.301 0.000 0.960 303 R CB -0.045 29.755 30.300 -0.834 0.000 0.856 303 R HN 0.195 nan 8.270 nan 0.000 0.436 304 Q N 0.934 120.526 119.800 -0.347 0.000 2.124 304 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 304 Q C 1.592 177.094 176.000 -0.831 0.000 0.977 304 Q CA 1.829 57.282 55.803 -0.584 0.000 0.850 304 Q CB 0.100 28.516 28.738 -0.535 0.000 0.901 304 Q HN 0.272 nan 8.270 nan 0.000 0.429 305 K N -0.371 119.789 120.400 -0.399 0.000 2.057 305 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 305 K C 2.078 178.638 176.600 -0.068 0.000 1.049 305 K CA 1.280 57.483 56.287 -0.141 0.000 0.931 305 K CB -0.225 32.295 32.500 0.033 0.000 0.714 305 K HN 0.226 nan 8.250 nan 0.000 0.440 306 L N 0.835 122.027 121.223 -0.051 0.000 2.079 306 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 306 L C 2.313 179.180 176.870 -0.005 0.000 1.081 306 L CA 1.210 56.068 54.840 0.030 0.000 0.752 306 L CB -0.334 41.791 42.059 0.109 0.000 0.896 306 L HN 0.199 nan 8.230 nan 0.000 0.433 307 I N -1.385 119.108 120.570 -0.128 0.000 2.286 307 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 307 I C 2.259 178.387 176.117 0.020 0.000 1.104 307 I CA 0.976 62.212 61.300 -0.108 0.000 1.397 307 I CB -0.237 37.639 38.000 -0.208 0.000 1.072 307 I HN 0.093 nan 8.210 nan 0.000 0.417 308 F N 0.981 120.935 119.950 0.007 0.000 2.202 308 F HA -0.220 4.306 4.527 -0.001 0.000 0.301 308 F C 1.820 177.624 175.800 0.007 0.000 1.082 308 F CA 1.018 59.021 58.000 0.005 0.000 1.313 308 F CB -0.957 38.046 39.000 0.004 0.000 1.024 308 F HN 0.137 nan 8.300 nan 0.000 0.495 309 D N -0.725 119.784 120.400 0.183 0.000 2.336 309 D HA 0.227 4.866 4.640 -0.000 0.000 0.228 309 D C 1.895 178.238 176.300 0.071 0.000 1.120 309 D CA 0.841 54.908 54.000 0.110 0.000 0.839 309 D CB -0.133 40.722 40.800 0.092 0.000 0.932 309 D HN 0.350 nan 8.370 nan 0.000 0.509 310 G N 1.373 110.213 108.800 0.066 0.000 2.131 310 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.223 310 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.223 310 G C 0.770 175.670 174.900 0.001 0.000 0.990 310 G CA -0.321 44.798 45.100 0.031 0.000 0.671 310 G HN 0.287 nan 8.290 nan 0.000 0.521 311 N N 0.135 118.842 118.700 0.011 0.000 2.322 311 N HA 0.075 4.814 4.740 -0.000 0.000 0.194 311 N C 1.558 177.043 175.510 -0.042 0.000 1.126 311 N CA 0.627 53.668 53.050 -0.015 0.000 0.845 311 N CB 0.276 38.818 38.487 0.092 0.000 0.976 311 N HN 0.736 nan 8.380 nan 0.000 0.475 312 E N 1.730 121.908 120.200 -0.037 0.000 2.085 312 E HA -0.227 4.122 4.350 -0.000 0.000 0.194 312 E C 1.700 178.257 176.600 -0.073 0.000 0.994 312 E CA 1.154 57.524 56.400 -0.050 0.000 0.801 312 E CB 0.166 29.844 29.700 -0.037 0.000 0.743 312 E HN 0.370 nan 8.360 nan 0.000 0.453 313 E N -0.711 119.441 120.200 -0.081 0.000 2.077 313 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 313 E C 1.851 178.363 176.600 -0.146 0.000 0.989 313 E CA 1.711 58.053 56.400 -0.096 0.000 0.800 313 E CB 0.031 29.677 29.700 -0.089 0.000 0.746 313 E HN 0.184 nan 8.360 nan 0.000 0.452 314 T N 1.265 115.692 114.554 -0.212 0.000 2.708 314 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 314 T C 1.862 176.398 174.700 -0.274 0.000 1.037 314 T CA 1.199 63.089 62.100 -0.351 0.000 1.146 314 T CB -0.207 68.287 68.868 -0.623 0.000 0.865 314 T HN 0.146 nan 8.240 nan 0.000 0.435 315 L N 0.564 121.701 121.223 -0.143 0.000 2.046 315 L HA -0.117 4.222 4.340 -0.000 0.000 0.208 315 L C 2.737 179.552 176.870 -0.092 0.000 1.077 315 L CA 1.082 55.898 54.840 -0.039 0.000 0.747 315 L CB -0.429 41.651 42.059 0.035 0.000 0.896 315 L HN 0.098 nan 8.230 nan 0.000 0.432 316 K N 0.545 120.881 120.400 -0.106 0.000 2.103 316 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 316 K C 2.017 178.616 176.600 -0.003 0.000 1.048 316 K CA 1.358 57.594 56.287 -0.085 0.000 0.930 316 K CB -0.261 32.212 32.500 -0.045 0.000 0.716 316 K HN 0.369 nan 8.250 nan 0.000 0.444 317 K N 0.547 120.920 120.400 -0.045 0.000 2.097 317 K HA -0.080 4.239 4.320 -0.000 0.000 0.206 317 K C 2.186 178.855 176.600 0.114 0.000 1.049 317 K CA 1.019 57.302 56.287 -0.007 0.000 0.933 317 K CB -0.148 32.237 32.500 -0.193 0.000 0.717 317 K HN -0.117 nan 8.250 nan 0.000 0.442 318 V N 2.074 121.957 119.914 -0.053 0.000 2.270 318 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 318 V C 1.616 177.661 176.094 -0.081 0.000 1.043 318 V CA 1.936 64.144 62.300 -0.154 0.000 1.014 318 V CB -0.409 31.162 31.823 -0.419 0.000 0.645 318 V HN 0.283 nan 8.190 nan 0.000 0.447 319 D N 0.662 121.050 120.400 -0.021 0.000 2.117 319 D HA -0.121 4.518 4.640 -0.000 0.000 0.197 319 D C 2.283 178.714 176.300 0.219 0.000 0.987 319 D CA 1.905 55.947 54.000 0.069 0.000 0.829 319 D CB -0.264 40.415 40.800 -0.202 0.000 0.961 319 D HN 0.616 nan 8.370 nan 0.000 0.460 320 S N -0.423 115.416 115.700 0.232 0.000 2.575 320 S HA 0.371 4.841 4.470 -0.000 0.000 0.215 320 S C 0.976 175.541 174.600 -0.059 0.000 0.966 320 S CA -0.178 58.170 58.200 0.246 0.000 0.911 320 S CB 0.115 63.506 63.200 0.319 0.000 0.780 320 S HN 0.227 nan 8.310 nan 0.000 0.514 321 A N 2.015 124.724 122.820 -0.185 0.000 2.466 321 A HA 0.473 4.792 4.320 -0.000 0.000 0.238 321 A C 1.721 179.117 177.584 -0.313 0.000 1.074 321 A CA 0.020 51.734 52.037 -0.538 0.000 0.774 321 A CB 0.049 18.844 19.000 -0.341 0.000 1.015 321 A HN 0.944 nan 8.150 nan 0.000 0.498 322 V N -0.197 119.508 119.914 -0.348 0.000 2.324 322 V HA 0.041 4.161 4.120 -0.000 0.000 0.250 322 V C 0.742 176.914 176.094 0.130 0.000 1.060 322 V CA 2.016 64.282 62.300 -0.056 0.000 1.042 322 V CB -1.871 29.934 31.823 -0.031 0.000 0.650 322 V HN 1.351 nan 8.190 nan 0.000 0.450 323 F N -3.043 116.798 119.950 -0.183 0.000 3.122 323 F HA 0.700 5.227 4.527 -0.001 0.000 0.325 323 F C -0.850 174.785 175.800 -0.275 0.000 1.162 323 F CA -1.269 56.475 58.000 -0.427 0.000 0.876 323 F CB 0.980 39.415 39.000 -0.942 0.000 1.429 323 F HN -0.049 nan 8.300 nan 0.000 0.484 324 C N 2.495 121.752 119.300 -0.073 0.000 2.298 324 C HA 0.813 5.272 4.460 -0.000 0.000 0.323 324 C C -0.716 174.356 174.990 0.136 0.000 1.284 324 C CA -0.668 58.324 59.018 -0.044 0.000 1.577 324 C CB 0.025 27.779 27.740 0.023 0.000 2.249 324 C HN 0.818 nan 8.230 nan 0.000 0.497 325 L N 7.394 128.645 121.223 0.047 0.000 2.264 325 L HA 0.619 4.959 4.340 -0.000 0.000 0.289 325 L C -0.517 176.402 176.870 0.082 0.000 1.044 325 L CA 0.242 55.186 54.840 0.172 0.000 0.807 325 L CB 0.574 42.722 42.059 0.149 0.000 1.192 325 L HN 0.806 nan 8.230 nan 0.000 0.425 326 C N 6.199 125.554 119.300 0.091 0.000 2.281 326 C HA 0.499 4.959 4.460 -0.000 0.000 0.323 326 C C 0.061 175.054 174.990 0.005 0.000 1.270 326 C CA -1.008 58.016 59.018 0.011 0.000 1.559 326 C CB 0.091 27.814 27.740 -0.027 0.000 2.239 326 C HN 0.667 nan 8.230 nan 0.000 0.488 327 L N 4.056 125.268 121.223 -0.018 0.000 2.283 327 L HA 0.337 4.677 4.340 -0.000 0.000 0.281 327 L C -0.378 176.437 176.870 -0.091 0.000 1.033 327 L CA 0.012 54.829 54.840 -0.038 0.000 0.848 327 L CB 0.355 42.402 42.059 -0.019 0.000 1.226 327 L HN 0.620 nan 8.230 nan 0.000 0.429 328 D N 1.934 122.224 120.400 -0.183 0.000 2.313 328 D HA 0.111 4.751 4.640 -0.000 0.000 0.247 328 D C 0.270 176.377 176.300 -0.321 0.000 1.094 328 D CA -0.138 53.657 54.000 -0.342 0.000 0.925 328 D CB 1.508 41.873 40.800 -0.725 0.000 1.188 328 D HN 0.472 nan 8.370 nan 0.000 0.430 329 D N 0.683 120.956 120.400 -0.211 0.000 2.895 329 D HA 0.161 4.800 4.640 -0.000 0.000 0.258 329 D C -0.409 175.984 176.300 0.155 0.000 1.311 329 D CA -0.533 53.466 54.000 -0.001 0.000 0.843 329 D CB -0.823 40.035 40.800 0.097 0.000 1.055 329 D HN 0.270 nan 8.370 nan 0.000 0.486 330 F N -2.871 117.110 119.950 0.051 0.000 2.703 330 F HA 0.678 5.205 4.527 -0.001 0.000 0.308 330 F C -3.150 172.700 175.800 0.084 0.000 1.126 330 F CA -2.164 55.880 58.000 0.074 0.000 0.959 330 F CB 0.740 39.805 39.000 0.108 0.000 1.297 330 F HN -0.338 nan 8.300 nan 0.000 0.441 334 D N -1.208 119.312 120.400 0.200 0.000 2.792 334 D HA 0.128 4.767 4.640 -0.000 0.000 0.335 334 D C 0.156 176.548 176.300 0.153 0.000 1.353 334 D CA -0.804 53.281 54.000 0.142 0.000 0.839 334 D CB 0.243 41.108 40.800 0.108 0.000 1.396 334 D HN -0.169 nan 8.370 nan 0.000 0.479 335 L N 0.095 121.389 121.223 0.119 0.000 2.141 335 L HA 0.189 4.529 4.340 -0.000 0.000 0.209 335 L C 2.026 178.969 176.870 0.121 0.000 1.094 335 L CA 1.261 56.170 54.840 0.115 0.000 0.763 335 L CB -0.805 41.315 42.059 0.102 0.000 0.908 335 L HN 0.564 nan 8.230 nan 0.000 0.437 336 I N -1.628 119.026 120.570 0.139 0.000 2.142 336 I HA -0.348 3.821 4.170 -0.000 0.000 0.240 336 I C 2.560 178.836 176.117 0.265 0.000 1.078 336 I CA 1.329 62.732 61.300 0.171 0.000 1.343 336 I CB -0.449 37.663 38.000 0.186 0.000 1.046 336 I HN 0.313 nan 8.210 nan 0.000 0.405 337 H N 1.315 120.475 119.070 0.150 0.000 2.352 337 H HA -0.208 4.348 4.556 -0.001 0.000 0.299 337 H C 2.052 177.449 175.328 0.114 0.000 1.097 337 H CA 1.870 58.004 56.048 0.144 0.000 1.311 337 H CB -0.360 29.465 29.762 0.104 0.000 1.377 337 H HN 0.280 nan 8.280 nan 0.000 0.504 338 L N -0.597 120.623 121.223 -0.006 0.000 1.989 338 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 338 L C 2.366 179.113 176.870 -0.205 0.000 1.071 338 L CA 1.897 56.668 54.840 -0.114 0.000 0.749 338 L CB -0.505 41.557 42.059 0.005 0.000 0.890 338 L HN 0.250 nan 8.230 nan 0.000 0.431 339 S N -0.972 114.670 115.700 -0.098 0.000 2.359 339 S HA -0.222 4.248 4.470 -0.000 0.000 0.224 339 S C 1.831 176.237 174.600 -0.323 0.000 1.035 339 S CA 1.234 59.338 58.200 -0.160 0.000 1.018 339 S CB -0.633 62.583 63.200 0.027 0.000 0.876 339 S HN 0.567 nan 8.310 nan 0.000 0.448 340 H N 1.155 120.125 119.070 -0.166 0.000 2.353 340 H HA 0.021 4.576 4.556 -0.001 0.000 0.300 340 H C 1.218 176.193 175.328 -0.588 0.000 1.090 340 H CA 1.207 57.042 56.048 -0.355 0.000 1.327 340 H CB -0.729 28.991 29.762 -0.071 0.000 1.383 340 H HN 0.322 nan 8.280 nan 0.000 0.508 344 H N -2.569 116.686 119.070 0.308 0.000 3.429 344 H HA 0.699 5.255 4.556 -0.000 0.000 0.230 344 H C 1.059 176.691 175.328 0.507 0.000 0.948 344 H CA 0.451 56.764 56.048 0.442 0.000 1.035 344 H CB -0.113 29.817 29.762 0.279 0.000 1.350 344 H HN 0.407 nan 8.280 nan 0.000 0.600 345 G N 1.521 110.448 108.800 0.212 0.000 2.601 345 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.261 345 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.261 345 G C 0.519 175.756 174.900 0.562 0.000 1.289 345 G CA 0.603 45.886 45.100 0.304 0.000 0.920 345 G HN 0.793 nan 8.290 nan 0.000 0.571 346 D N 0.377 120.970 120.400 0.322 0.000 2.339 346 D HA 0.375 5.015 4.640 -0.000 0.000 0.217 346 D C 1.763 178.028 176.300 -0.059 0.000 1.050 346 D CA 1.225 55.394 54.000 0.282 0.000 0.856 346 D CB -0.244 40.643 40.800 0.145 0.000 0.922 346 D HN 2.232 nan 8.370 nan 0.000 0.518 347 G N 0.105 108.688 108.800 -0.363 0.000 2.217 347 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.246 347 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.246 347 G C 1.173 175.429 174.900 -1.075 0.000 0.990 347 G CA 0.869 45.307 45.100 -1.103 0.000 0.627 347 G HN 0.615 nan 8.290 nan 0.000 0.522 348 T N -3.192 110.897 114.554 -0.776 0.000 3.037 348 T HA 0.270 4.620 4.350 -0.000 0.000 0.252 348 T C 1.137 175.593 174.700 -0.408 0.000 1.073 348 T CA 1.247 62.946 62.100 -0.668 0.000 1.091 348 T CB 0.134 68.751 68.868 -0.419 0.000 0.935 348 T HN 0.326 nan 8.240 nan 0.000 0.488 349 N N 0.903 119.395 118.700 -0.346 0.000 2.433 349 N HA 0.164 4.904 4.740 -0.000 0.000 0.270 349 N C -0.969 174.345 175.510 -0.327 0.000 1.354 349 N CA -0.315 52.570 53.050 -0.275 0.000 0.889 349 N CB 0.398 38.796 38.487 -0.149 0.000 1.285 349 N HN 0.157 nan 8.380 nan 0.000 0.503 350 R N 0.684 120.877 120.500 -0.512 0.000 2.574 350 R HA 0.166 4.505 4.340 -0.000 0.000 0.288 350 R C -1.223 174.695 176.300 -0.637 0.000 1.004 350 R CA -0.506 55.191 56.100 -0.673 0.000 0.895 350 R CB 1.391 30.950 30.300 -1.235 0.000 1.191 350 R HN 0.237 nan 8.270 nan 0.000 0.444 351 W N 5.583 126.603 121.300 -0.466 0.000 2.292 351 W HA 0.159 4.819 4.660 -0.000 0.000 0.352 351 W C -0.544 175.921 176.519 -0.089 0.000 0.962 351 W CA -0.620 56.595 57.345 -0.217 0.000 1.496 351 W CB 0.197 29.630 29.460 -0.045 0.000 1.381 351 W HN 0.601 nan 8.180 nan 0.000 0.363 352 F N 1.855 121.656 119.950 -0.249 0.000 2.333 352 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 352 F C 1.976 177.813 175.800 0.062 0.000 1.083 352 F CA 1.289 59.264 58.000 -0.042 0.000 1.395 352 F CB -0.352 38.625 39.000 -0.040 0.000 1.056 352 F HN 0.154 nan 8.300 nan 0.000 0.529 353 D N 0.030 120.469 120.400 0.065 0.000 2.269 353 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 353 D C 1.127 177.629 176.300 0.337 0.000 0.963 353 D CA 0.678 54.805 54.000 0.213 0.000 0.864 353 D CB -0.182 40.739 40.800 0.203 0.000 0.936 353 D HN 0.084 nan 8.370 nan 0.000 0.505 354 K N 0.633 121.275 120.400 0.402 0.000 2.380 354 K HA -0.004 4.315 4.320 -0.000 0.000 0.267 354 K C 1.459 178.222 176.600 0.272 0.000 0.990 354 K CA 0.134 56.633 56.287 0.352 0.000 0.946 354 K CB 0.792 33.486 32.500 0.324 0.000 0.937 354 K HN -0.104 nan 8.250 nan 0.000 0.491 355 S N 2.995 118.747 115.700 0.087 0.000 2.372 355 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 355 S C 0.541 175.425 174.600 0.475 0.000 1.044 355 S CA 1.406 59.607 58.200 0.000 0.000 1.050 355 S CB -0.893 61.968 63.200 -0.566 0.000 0.901 355 S HN 0.586 nan 8.310 nan 0.000 0.447 356 F N -1.065 119.001 119.950 0.195 0.000 2.668 356 F HA 0.684 5.211 4.527 -0.001 0.000 0.309 356 F C -1.296 174.686 175.800 0.302 0.000 1.117 356 F CA -1.473 56.708 58.000 0.301 0.000 0.951 356 F CB 1.043 40.150 39.000 0.178 0.000 1.323 356 F HN -0.179 nan 8.300 nan 0.000 0.451 357 N N 2.124 121.131 118.700 0.512 0.000 2.392 357 N HA 0.455 5.195 4.740 -0.000 0.000 0.283 357 N C -1.915 173.920 175.510 0.542 0.000 1.003 357 N CA -0.536 52.737 53.050 0.371 0.000 0.892 357 N CB 2.609 41.230 38.487 0.223 0.000 1.193 357 N HN 0.696 nan 8.380 nan 0.000 0.487 358 L N 4.495 126.038 121.223 0.534 0.000 2.262 358 L HA 0.541 4.881 4.340 -0.000 0.000 0.288 358 L C -0.905 176.184 176.870 0.364 0.000 1.035 358 L CA -0.287 54.877 54.840 0.540 0.000 0.820 358 L CB 0.358 42.779 42.059 0.604 0.000 1.204 358 L HN 0.409 nan 8.230 nan 0.000 0.424 359 I N 5.596 126.349 120.570 0.306 0.000 2.377 359 I HA 0.494 4.664 4.170 -0.000 0.000 0.293 359 I C -0.775 175.434 176.117 0.154 0.000 0.987 359 I CA -0.754 60.650 61.300 0.173 0.000 1.185 359 I CB 1.836 39.904 38.000 0.112 0.000 1.341 359 I HN 0.246 nan 8.210 nan 0.000 0.455 360 V N 5.567 125.528 119.914 0.078 0.000 2.482 360 V HA 0.633 4.753 4.120 -0.000 0.000 0.295 360 V C 0.300 176.367 176.094 -0.045 0.000 1.026 360 V CA -0.577 61.751 62.300 0.047 0.000 0.856 360 V CB 1.385 33.245 31.823 0.063 0.000 1.001 360 V HN 0.872 nan 8.190 nan 0.000 0.424 361 A N 2.888 125.662 122.820 -0.075 0.000 2.240 361 A HA 0.547 4.867 4.320 -0.000 0.000 0.292 361 A C 1.091 178.609 177.584 -0.110 0.000 1.121 361 A CA -0.163 51.767 52.037 -0.180 0.000 0.851 361 A CB 0.422 19.304 19.000 -0.198 0.000 1.167 361 A HN 0.901 nan 8.150 nan 0.000 0.503 362 E N -0.690 119.435 120.200 -0.126 0.000 2.204 362 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 362 E C 0.292 176.887 176.600 -0.008 0.000 0.989 362 E CA 1.431 57.802 56.400 -0.049 0.000 0.824 362 E CB 0.010 29.698 29.700 -0.019 0.000 0.756 362 E HN 0.741 nan 8.360 nan 0.000 0.477 363 D N -1.790 118.614 120.400 0.007 0.000 2.325 363 D HA 0.097 4.736 4.640 -0.000 0.000 0.225 363 D C 1.105 177.425 176.300 0.034 0.000 1.096 363 D CA 0.580 54.597 54.000 0.030 0.000 0.844 363 D CB 0.330 41.161 40.800 0.052 0.000 0.925 363 D HN 0.208 nan 8.370 nan 0.000 0.513 364 G N -0.204 108.609 108.800 0.021 0.000 2.179 364 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 364 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 364 G C 0.471 175.408 174.900 0.060 0.000 0.977 364 G CA 0.334 45.455 45.100 0.035 0.000 0.641 364 G HN 0.445 nan 8.290 nan 0.000 0.533 365 T N 1.478 116.069 114.554 0.063 0.000 2.902 365 T HA 0.524 4.874 4.350 -0.000 0.000 0.301 365 T C 0.519 175.293 174.700 0.123 0.000 1.012 365 T CA 0.970 63.130 62.100 0.100 0.000 1.151 365 T CB 1.441 70.355 68.868 0.077 0.000 0.946 365 T HN 1.514 nan 8.240 nan 0.000 0.542 366 A N 2.114 125.070 122.820 0.226 0.000 2.454 366 A HA 0.964 5.284 4.320 -0.000 0.000 0.302 366 A C -0.551 177.333 177.584 0.500 0.000 1.079 366 A CA -0.690 51.542 52.037 0.325 0.000 0.731 366 A CB 1.725 20.897 19.000 0.287 0.000 1.299 366 A HN 1.169 nan 8.150 nan 0.000 0.413 367 A N -0.024 123.082 122.820 0.477 0.000 2.610 367 A HA 0.694 5.014 4.320 -0.000 0.000 0.291 367 A C -1.601 176.257 177.584 0.457 0.000 1.086 367 A CA -0.408 51.884 52.037 0.425 0.000 0.677 367 A CB 1.053 20.244 19.000 0.319 0.000 1.278 367 A HN 1.430 nan 8.150 nan 0.000 0.414 368 V N 2.741 122.913 119.914 0.429 0.000 2.357 368 V HA 0.367 4.486 4.120 -0.000 0.000 0.284 368 V C -0.351 176.061 176.094 0.530 0.000 1.018 368 V CA -0.452 62.134 62.300 0.477 0.000 0.841 368 V CB 1.155 33.205 31.823 0.379 0.000 0.991 368 V HN 0.891 nan 8.190 nan 0.000 0.437 369 H N 6.359 125.701 119.070 0.453 0.000 2.488 369 H HA 0.565 5.121 4.556 -0.001 0.000 0.322 369 H C -1.231 174.400 175.328 0.505 0.000 1.078 369 H CA -0.557 55.738 56.048 0.412 0.000 1.260 369 H CB 1.458 31.411 29.762 0.318 0.000 1.425 369 H HN 0.578 nan 8.280 nan 0.000 0.471 370 F N 2.326 122.346 119.950 0.118 0.000 2.588 370 F HA 0.412 4.939 4.527 -0.000 0.000 0.314 370 F C -0.500 175.429 175.800 0.215 0.000 1.069 370 F CA -1.221 56.947 58.000 0.280 0.000 0.931 370 F CB 1.233 40.378 39.000 0.242 0.000 1.260 370 F HN 0.291 nan 8.300 nan 0.000 0.465 371 E N 2.055 122.579 120.200 0.540 0.000 2.289 371 E HA 0.052 4.402 4.350 -0.000 0.000 0.278 371 E C 0.005 176.772 176.600 0.278 0.000 1.032 371 E CA 0.072 56.713 56.400 0.402 0.000 0.854 371 E CB 0.517 30.522 29.700 0.508 0.000 1.046 371 E HN 0.959 nan 8.360 nan 0.000 0.409 372 H N 2.642 121.676 119.070 -0.059 0.000 2.470 372 H HA -0.073 4.483 4.556 -0.001 0.000 0.289 372 H C 1.864 177.013 175.328 -0.298 0.000 1.033 372 H CA 1.411 57.310 56.048 -0.248 0.000 1.331 372 H CB 0.676 30.236 29.762 -0.337 0.000 1.414 372 H HN 0.527 nan 8.280 nan 0.000 0.545 373 S N 1.122 116.784 115.700 -0.063 0.000 2.423 373 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 373 S C 2.014 176.716 174.600 0.171 0.000 1.014 373 S CA 0.842 59.040 58.200 -0.004 0.000 0.965 373 S CB -0.844 62.424 63.200 0.114 0.000 0.785 373 S HN 0.698 nan 8.310 nan 0.000 0.495 374 W N 1.738 123.114 121.300 0.126 0.000 2.905 374 W HA 0.516 5.176 4.660 -0.001 0.000 0.251 374 W C 0.521 177.170 176.519 0.218 0.000 1.305 374 W CA 0.084 57.545 57.345 0.195 0.000 1.465 374 W CB -0.856 28.634 29.460 0.050 0.000 1.122 374 W HN 0.478 nan 8.180 nan 0.000 0.659 375 G N 0.445 109.007 108.800 -0.397 0.000 2.428 375 G HA2 0.037 3.996 3.960 -0.000 0.000 0.304 375 G HA3 0.037 3.996 3.960 -0.000 0.000 0.304 375 G C -0.792 173.731 174.900 -0.629 0.000 1.303 375 G CA -0.310 44.517 45.100 -0.456 0.000 0.825 375 G HN -0.104 nan 8.290 nan 0.000 0.484 376 D N -0.160 119.946 120.400 -0.491 0.000 2.340 376 D HA 0.277 4.917 4.640 -0.000 0.000 0.217 376 D C 1.794 177.836 176.300 -0.430 0.000 1.081 376 D CA 1.202 54.953 54.000 -0.417 0.000 0.842 376 D CB 0.735 41.374 40.800 -0.270 0.000 0.934 376 D HN 1.412 nan 8.370 nan 0.000 0.511 377 G N 0.776 109.218 108.800 -0.597 0.000 2.176 377 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.253 377 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.253 377 G C 1.361 175.959 174.900 -0.503 0.000 0.979 377 G CA 0.470 45.187 45.100 -0.639 0.000 0.641 377 G HN 0.314 nan 8.290 nan 0.000 0.530 378 V N 0.830 120.527 119.914 -0.363 0.000 2.427 378 V HA 0.027 4.147 4.120 -0.000 0.000 0.248 378 V C 3.210 179.107 176.094 -0.329 0.000 1.051 378 V CA 2.890 65.053 62.300 -0.227 0.000 1.048 378 V CB -1.040 30.749 31.823 -0.057 0.000 0.666 378 V HN 0.938 nan 8.190 nan 0.000 0.456 379 A N 0.031 122.474 122.820 -0.629 0.000 1.902 379 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 379 A C 2.394 179.684 177.584 -0.491 0.000 1.181 379 A CA 2.024 53.474 52.037 -0.978 0.000 0.623 379 A CB -0.653 17.724 19.000 -1.039 0.000 0.818 379 A HN 0.344 nan 8.150 nan 0.000 0.443 380 V N -0.325 119.271 119.914 -0.530 0.000 2.343 380 V HA -0.219 3.900 4.120 -0.000 0.000 0.247 380 V C 2.472 178.375 176.094 -0.319 0.000 1.051 380 V CA 1.885 63.858 62.300 -0.545 0.000 1.036 380 V CB -0.791 30.401 31.823 -1.053 0.000 0.654 380 V HN 0.575 nan 8.190 nan 0.000 0.451 381 L N 0.412 121.446 121.223 -0.316 0.000 2.046 381 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 381 L C 2.520 179.397 176.870 0.012 0.000 1.077 381 L CA 2.036 56.774 54.840 -0.170 0.000 0.747 381 L CB -0.760 41.190 42.059 -0.182 0.000 0.896 381 L HN 0.237 nan 8.230 nan 0.000 0.432 382 R N -0.796 119.727 120.500 0.038 0.000 2.073 382 R HA -0.232 4.108 4.340 -0.000 0.000 0.234 382 R C 2.238 178.640 176.300 0.169 0.000 1.134 382 R CA 2.061 58.283 56.100 0.204 0.000 0.952 382 R CB -1.240 29.294 30.300 0.390 0.000 0.850 382 R HN 0.426 nan 8.270 nan 0.000 0.433 383 F N 0.121 119.902 119.950 -0.281 0.000 2.065 383 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 383 F C 1.902 177.541 175.800 -0.269 0.000 1.112 383 F CA 2.039 59.556 58.000 -0.805 0.000 1.212 383 F CB -0.814 37.616 39.000 -0.950 0.000 0.975 383 F HN 0.133 nan 8.300 nan 0.000 0.476 384 F N 1.431 121.226 119.950 -0.259 0.000 2.095 384 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 384 F C 2.282 178.086 175.800 0.007 0.000 1.104 384 F CA 2.160 60.055 58.000 -0.174 0.000 1.232 384 F CB -0.671 38.201 39.000 -0.214 0.000 0.987 384 F HN -0.032 nan 8.300 nan 0.000 0.475 385 N N 0.468 119.319 118.700 0.252 0.000 2.120 385 N HA -0.157 4.582 4.740 -0.000 0.000 0.188 385 N C 1.756 177.375 175.510 0.182 0.000 1.024 385 N CA 1.504 54.698 53.050 0.239 0.000 0.852 385 N CB -0.522 38.096 38.487 0.218 0.000 1.003 385 N HN 0.377 nan 8.380 nan 0.000 0.424 386 E N 0.570 120.858 120.200 0.147 0.000 2.106 386 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 386 E C 2.147 178.774 176.600 0.045 0.000 0.984 386 E CA 0.423 56.925 56.400 0.171 0.000 0.806 386 E CB -0.334 29.604 29.700 0.397 0.000 0.750 386 E HN 0.118 nan 8.360 nan 0.000 0.458 387 V N 1.210 121.035 119.914 -0.149 0.000 2.358 387 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 387 V C 2.127 178.095 176.094 -0.209 0.000 1.047 387 V CA 1.535 63.670 62.300 -0.276 0.000 1.035 387 V CB -0.565 30.866 31.823 -0.654 0.000 0.658 387 V HN 0.135 nan 8.190 nan 0.000 0.452 388 F N 1.254 121.051 119.950 -0.256 0.000 2.102 388 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 388 F C 2.632 178.352 175.800 -0.133 0.000 1.105 388 F CA 2.280 60.137 58.000 -0.238 0.000 1.239 388 F CB -0.327 38.630 39.000 -0.072 0.000 0.991 388 F HN -0.057 nan 8.300 nan 0.000 0.474 389 R N 0.183 120.676 120.500 -0.012 0.000 2.070 389 R HA -0.221 4.119 4.340 -0.000 0.000 0.233 389 R C 2.071 178.278 176.300 -0.155 0.000 1.137 389 R CA 2.294 58.348 56.100 -0.076 0.000 0.945 389 R CB -0.880 29.461 30.300 0.067 0.000 0.845 389 R HN 0.391 nan 8.270 nan 0.000 0.430 390 D N -0.317 120.025 120.400 -0.098 0.000 2.117 390 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 390 D C 1.936 178.151 176.300 -0.141 0.000 0.987 390 D CA 1.906 55.858 54.000 -0.081 0.000 0.829 390 D CB 0.019 40.805 40.800 -0.023 0.000 0.961 390 D HN 0.345 nan 8.370 nan 0.000 0.460 391 S N -1.411 114.163 115.700 -0.209 0.000 2.428 391 S HA -0.136 4.333 4.470 -0.000 0.000 0.230 391 S C 2.035 176.467 174.600 -0.280 0.000 1.014 391 S CA 1.562 59.630 58.200 -0.219 0.000 0.957 391 S CB -0.770 62.275 63.200 -0.258 0.000 0.784 391 S HN 0.431 nan 8.310 nan 0.000 0.499 392 T N -0.999 113.306 114.554 -0.414 0.000 3.031 392 T HA 0.171 4.521 4.350 -0.000 0.000 0.254 392 T C 1.862 176.355 174.700 -0.345 0.000 1.060 392 T CA 0.281 62.108 62.100 -0.456 0.000 1.135 392 T CB -0.332 68.115 68.868 -0.701 0.000 0.896 392 T HN 0.446 nan 8.240 nan 0.000 0.472 393 Q N 0.853 120.496 119.800 -0.260 0.000 2.297 393 Q HA 0.137 4.477 4.340 -0.000 0.000 0.203 393 Q C 0.330 176.252 176.000 -0.131 0.000 0.931 393 Q CA 0.847 56.546 55.803 -0.173 0.000 0.885 393 Q CB 0.561 29.230 28.738 -0.115 0.000 0.991 393 Q HN 0.444 nan 8.270 nan 0.000 0.498 394 T N 2.118 116.604 114.554 -0.113 0.000 3.732 394 T HA 0.226 4.576 4.350 -0.000 0.000 0.234 394 T C -2.674 171.994 174.700 -0.053 0.000 1.146 394 T CA -0.997 61.064 62.100 -0.064 0.000 1.454 394 T CB 0.862 69.714 68.868 -0.026 0.000 0.910 394 T HN 0.048 nan 8.240 nan 0.000 0.640 395 P HA 0.214 nan 4.420 nan 0.000 0.266 395 P C 0.922 178.242 177.300 0.034 0.000 1.195 395 P CA -0.050 63.047 63.100 -0.006 0.000 0.768 395 P CB 0.940 32.676 31.700 0.060 0.000 0.838 396 A N 4.559 127.399 122.820 0.033 0.000 1.898 396 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 396 A C 1.357 178.962 177.584 0.036 0.000 1.181 396 A CA 1.458 53.513 52.037 0.030 0.000 0.620 396 A CB -0.856 18.161 19.000 0.028 0.000 0.819 396 A HN 0.731 nan 8.150 nan 0.000 0.442 397 I N -4.135 116.465 120.570 0.050 0.000 3.042 397 I HA 0.688 4.857 4.170 -0.000 0.000 0.310 397 I C -0.196 175.948 176.117 0.045 0.000 1.117 397 I CA -0.471 60.845 61.300 0.028 0.000 1.003 397 I CB 2.289 40.283 38.000 -0.009 0.000 1.228 397 I HN 0.098 nan 8.210 nan 0.000 0.443 398 T N -0.823 113.708 114.554 -0.038 0.000 2.948 398 T HA 0.589 4.939 4.350 -0.000 0.000 0.285 398 T C -2.212 172.302 174.700 -0.310 0.000 1.019 398 T CA -1.994 59.983 62.100 -0.204 0.000 1.013 398 T CB 1.564 70.375 68.868 -0.095 0.000 1.117 398 T HN 0.512 nan 8.240 nan 0.000 0.533 399 P HA 0.028 nan 4.420 nan 0.000 0.228 399 P C 0.739 177.932 177.300 -0.178 0.000 1.151 399 P CA 0.804 63.713 63.100 -0.319 0.000 0.770 399 P CB 0.011 31.496 31.700 -0.358 0.000 0.786 400 Q N -1.654 118.057 119.800 -0.148 0.000 2.282 400 Q HA 0.169 4.509 4.340 -0.000 0.000 0.206 400 Q C 0.472 176.430 176.000 -0.070 0.000 0.878 400 Q CA 0.078 55.828 55.803 -0.089 0.000 0.944 400 Q CB -0.153 28.545 28.738 -0.066 0.000 1.100 400 Q HN 0.031 nan 8.270 nan 0.000 0.509 401 S N 1.882 117.536 115.700 -0.077 0.000 2.558 401 S HA 0.060 4.530 4.470 -0.000 0.000 0.288 401 S C -0.020 174.547 174.600 -0.055 0.000 1.318 401 S CA -0.058 58.108 58.200 -0.058 0.000 1.056 401 S CB 0.369 63.536 63.200 -0.055 0.000 0.853 401 S HN 0.147 nan 8.310 nan 0.000 0.505 402 Q N 2.608 122.380 119.800 -0.047 0.000 2.314 402 Q HA 0.346 4.685 4.340 -0.000 0.000 0.259 402 Q C -2.447 173.520 176.000 -0.055 0.000 0.951 402 Q CA -2.427 53.348 55.803 -0.047 0.000 0.909 402 Q CB 0.725 29.440 28.738 -0.039 0.000 1.236 402 Q HN 0.356 nan 8.270 nan 0.000 0.444 403 P HA -0.016 nan 4.420 nan 0.000 0.265 403 P C -0.596 176.654 177.300 -0.083 0.000 1.187 403 P CA 0.164 63.215 63.100 -0.083 0.000 0.766 403 P CB 0.514 32.164 31.700 -0.084 0.000 0.820 404 A N 3.079 125.836 122.820 -0.105 0.000 2.406 404 A HA 0.456 4.776 4.320 -0.000 0.000 0.243 404 A C 0.503 178.031 177.584 -0.093 0.000 1.082 404 A CA 0.009 51.990 52.037 -0.094 0.000 0.786 404 A CB -0.323 18.613 19.000 -0.107 0.000 1.029 404 A HN 0.609 nan 8.150 nan 0.000 0.495 405 A N 1.473 124.253 122.820 -0.068 0.000 2.492 405 A HA 0.533 4.853 4.320 -0.000 0.000 0.254 405 A C 0.761 178.308 177.584 -0.062 0.000 1.091 405 A CA 0.727 52.730 52.037 -0.057 0.000 0.768 405 A CB -0.652 18.323 19.000 -0.041 0.000 1.028 405 A HN 1.845 nan 8.150 nan 0.000 0.498 406 T N -0.051 114.467 114.554 -0.060 0.000 2.841 406 T HA 0.501 4.850 4.350 -0.000 0.000 0.296 406 T C -0.814 173.859 174.700 -0.045 0.000 1.166 406 T CA -0.989 61.086 62.100 -0.041 0.000 1.007 406 T CB 1.574 70.425 68.868 -0.028 0.000 1.253 406 T HN 0.511 nan 8.240 nan 0.000 0.511 407 N N 0.775 119.449 118.700 -0.043 0.000 2.518 407 N HA 0.241 4.981 4.740 -0.000 0.000 0.254 407 N C 1.297 176.716 175.510 -0.151 0.000 0.979 407 N CA -0.147 52.853 53.050 -0.083 0.000 0.930 407 N CB 1.916 40.366 38.487 -0.062 0.000 1.152 407 N HN 0.770 nan 8.380 nan 0.000 0.505 408 S N 1.466 117.004 115.700 -0.270 0.000 2.383 408 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 408 S C 1.998 176.370 174.600 -0.380 0.000 1.030 408 S CA 1.641 59.519 58.200 -0.536 0.000 1.002 408 S CB -0.322 62.191 63.200 -1.146 0.000 0.829 408 S HN 0.611 nan 8.310 nan 0.000 0.467 409 S N 2.475 118.039 115.700 -0.225 0.000 2.402 409 S HA 0.190 4.660 4.470 -0.000 0.000 0.229 409 S C 1.972 176.511 174.600 -0.101 0.000 1.021 409 S CA 0.641 58.767 58.200 -0.124 0.000 0.974 409 S CB -0.739 62.418 63.200 -0.072 0.000 0.800 409 S HN 0.782 nan 8.310 nan 0.000 0.484 410 A N 0.724 123.481 122.820 -0.105 0.000 2.072 410 A HA 0.329 4.649 4.320 -0.000 0.000 0.216 410 A C 2.158 179.688 177.584 -0.091 0.000 1.156 410 A CA 1.039 53.031 52.037 -0.076 0.000 0.701 410 A CB -0.287 18.680 19.000 -0.055 0.000 0.816 410 A HN 0.531 nan 8.150 nan 0.000 0.458 411 S N -1.604 114.000 115.700 -0.160 0.000 2.613 411 S HA 0.256 4.726 4.470 -0.000 0.000 0.235 411 S C 0.142 174.583 174.600 -0.266 0.000 1.073 411 S CA 0.091 58.157 58.200 -0.223 0.000 0.899 411 S CB 0.707 63.712 63.200 -0.325 0.000 0.818 411 S HN 0.140 nan 8.310 nan 0.000 0.484 412 V N 2.681 122.443 119.914 -0.254 0.000 2.444 412 V HA 0.424 4.544 4.120 -0.000 0.000 0.294 412 V C -0.429 175.705 176.094 0.067 0.000 1.022 412 V CA -0.828 61.443 62.300 -0.048 0.000 0.850 412 V CB 1.691 33.508 31.823 -0.010 0.000 0.992 412 V HN 0.264 nan 8.190 nan 0.000 0.426 413 E N 2.762 123.020 120.200 0.097 0.000 2.174 413 E HA 0.377 4.726 4.350 -0.000 0.000 0.282 413 E C -0.652 176.003 176.600 0.091 0.000 0.992 413 E CA -0.493 55.940 56.400 0.055 0.000 0.803 413 E CB 1.217 30.901 29.700 -0.027 0.000 1.090 413 E HN 0.688 nan 8.360 nan 0.000 0.396 414 T N 5.506 120.085 114.554 0.042 0.000 2.729 414 T HA 0.231 4.581 4.350 -0.000 0.000 0.296 414 T C 0.369 174.992 174.700 -0.128 0.000 0.928 414 T CA -0.426 61.600 62.100 -0.124 0.000 1.045 414 T CB 0.092 68.873 68.868 -0.146 0.000 0.902 414 T HN 0.387 nan 8.240 nan 0.000 0.500 415 L N 3.457 124.591 121.223 -0.149 0.000 2.439 415 L HA 0.361 4.700 4.340 -0.000 0.000 0.269 415 L C 0.831 177.560 176.870 -0.235 0.000 1.179 415 L CA -0.333 54.367 54.840 -0.234 0.000 0.828 415 L CB 0.486 42.359 42.059 -0.311 0.000 1.106 415 L HN 0.691 nan 8.230 nan 0.000 0.467 416 S N 1.597 117.104 115.700 -0.322 0.000 2.532 416 S HA 0.667 5.137 4.470 -0.000 0.000 0.299 416 S C -0.911 173.482 174.600 -0.346 0.000 1.105 416 S CA -0.785 57.295 58.200 -0.200 0.000 1.018 416 S CB 1.214 64.354 63.200 -0.100 0.000 1.021 416 S HN 0.286 nan 8.310 nan 0.000 0.483 417 F N 2.131 122.018 119.950 -0.105 0.000 2.443 417 F HA 0.479 5.006 4.527 -0.000 0.000 0.335 417 F C 0.623 176.397 175.800 -0.043 0.000 1.104 417 F CA -0.758 57.187 58.000 -0.092 0.000 1.013 417 F CB 1.490 40.421 39.000 -0.115 0.000 1.136 417 F HN 0.639 nan 8.300 nan 0.000 0.470 418 N N 3.993 122.772 118.700 0.132 0.000 2.437 418 N HA 0.330 5.070 4.740 -0.000 0.000 0.243 418 N C -1.487 174.077 175.510 0.090 0.000 1.041 418 N CA -0.103 52.996 53.050 0.083 0.000 0.940 418 N CB 0.291 38.805 38.487 0.045 0.000 1.133 418 N HN 0.532 nan 8.380 nan 0.000 0.506 419 L N 2.636 123.894 121.223 0.059 0.000 2.280 419 L HA 0.394 4.734 4.340 -0.000 0.000 0.287 419 L C 0.776 177.628 176.870 -0.030 0.000 1.023 419 L CA -0.835 54.009 54.840 0.007 0.000 0.819 419 L CB 1.204 43.241 42.059 -0.037 0.000 1.212 419 L HN 0.562 nan 8.230 nan 0.000 0.420 420 S N 1.651 117.338 115.700 -0.022 0.000 2.617 420 S HA 0.186 4.656 4.470 -0.000 0.000 0.259 420 S C 1.372 175.921 174.600 -0.085 0.000 1.301 420 S CA -0.055 58.126 58.200 -0.031 0.000 0.984 420 S CB 1.238 64.439 63.200 0.001 0.000 0.954 420 S HN 0.728 nan 8.310 nan 0.000 0.572 421 G N 0.218 108.976 108.800 -0.071 0.000 2.422 421 G HA2 0.015 3.975 3.960 -0.000 0.000 0.218 421 G HA3 0.015 3.975 3.960 -0.000 0.000 0.218 421 G C 1.546 176.390 174.900 -0.094 0.000 1.146 421 G CA 0.743 45.784 45.100 -0.097 0.000 0.769 421 G HN 1.083 nan 8.290 nan 0.000 0.547 422 A N 0.520 123.311 122.820 -0.049 0.000 1.902 422 A HA 0.085 4.404 4.320 -0.000 0.000 0.217 422 A C 2.340 179.896 177.584 -0.046 0.000 1.181 422 A CA 1.155 53.175 52.037 -0.029 0.000 0.623 422 A CB -0.363 18.642 19.000 0.007 0.000 0.818 422 A HN 0.304 nan 8.150 nan 0.000 0.443 423 L N -0.325 120.863 121.223 -0.057 0.000 2.093 423 L HA -0.117 4.222 4.340 -0.000 0.000 0.208 423 L C 2.309 179.091 176.870 -0.148 0.000 1.085 423 L CA 1.925 56.727 54.840 -0.063 0.000 0.755 423 L CB -1.020 41.015 42.059 -0.040 0.000 0.904 423 L HN 0.469 nan 8.230 nan 0.000 0.435 424 K N -0.389 119.835 120.400 -0.294 0.000 2.057 424 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 424 K C 2.107 178.528 176.600 -0.299 0.000 1.049 424 K CA 1.381 57.305 56.287 -0.605 0.000 0.931 424 K CB -0.129 31.736 32.500 -1.058 0.000 0.714 424 K HN 0.265 nan 8.250 nan 0.000 0.440 425 A N 1.305 124.026 122.820 -0.166 0.000 1.933 425 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 425 A C 2.428 179.993 177.584 -0.032 0.000 1.175 425 A CA 1.881 53.883 52.037 -0.059 0.000 0.628 425 A CB -1.169 17.807 19.000 -0.040 0.000 0.814 425 A HN 0.427 nan 8.150 nan 0.000 0.444 426 G N 0.081 108.860 108.800 -0.035 0.000 2.418 426 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 426 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 426 G C 1.525 176.413 174.900 -0.020 0.000 1.158 426 G CA 1.141 46.234 45.100 -0.011 0.000 0.771 426 G HN 0.480 nan 8.290 nan 0.000 0.545 427 I N 0.752 121.313 120.570 -0.016 0.000 2.179 427 I HA -0.171 3.999 4.170 -0.000 0.000 0.242 427 I C 2.993 179.086 176.117 -0.040 0.000 1.088 427 I CA 1.491 62.800 61.300 0.014 0.000 1.357 427 I CB -0.484 37.590 38.000 0.123 0.000 1.051 427 I HN 0.094 nan 8.210 nan 0.000 0.409 428 T N 0.696 115.269 114.554 0.032 0.000 2.746 428 T HA -0.160 4.189 4.350 -0.000 0.000 0.267 428 T C 2.023 176.676 174.700 -0.079 0.000 1.039 428 T CA 1.481 63.578 62.100 -0.004 0.000 1.142 428 T CB -0.287 68.636 68.868 0.091 0.000 0.866 428 T HN 0.484 nan 8.240 nan 0.000 0.444 429 A N 1.307 124.096 122.820 -0.050 0.000 1.898 429 A HA 0.225 4.544 4.320 -0.000 0.000 0.216 429 A C 2.633 180.177 177.584 -0.067 0.000 1.181 429 A CA 1.702 53.711 52.037 -0.047 0.000 0.620 429 A CB -1.035 17.953 19.000 -0.021 0.000 0.819 429 A HN 0.496 nan 8.150 nan 0.000 0.442 430 A N 0.002 122.771 122.820 -0.085 0.000 1.902 430 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 430 A C 2.126 179.624 177.584 -0.144 0.000 1.181 430 A CA 2.021 54.012 52.037 -0.075 0.000 0.623 430 A CB -0.474 18.490 19.000 -0.060 0.000 0.818 430 A HN 0.574 nan 8.150 nan 0.000 0.443 431 K N -0.295 119.835 120.400 -0.450 0.000 2.032 431 K HA -0.253 4.066 4.320 -0.000 0.000 0.209 431 K C 2.030 178.513 176.600 -0.195 0.000 1.048 431 K CA 1.916 57.775 56.287 -0.713 0.000 0.927 431 K CB -0.160 31.713 32.500 -1.046 0.000 0.712 431 K HN 0.377 nan 8.250 nan 0.000 0.441 432 E N 1.352 121.470 120.200 -0.136 0.000 2.051 432 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 432 E C 1.871 178.461 176.600 -0.017 0.000 0.991 432 E CA 1.758 58.124 56.400 -0.056 0.000 0.799 432 E CB -0.098 29.571 29.700 -0.051 0.000 0.748 432 E HN 0.327 nan 8.360 nan 0.000 0.449 433 K N -0.942 119.452 120.400 -0.010 0.000 2.026 433 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 433 K C 2.211 178.826 176.600 0.025 0.000 1.048 433 K CA 1.447 57.733 56.287 -0.001 0.000 0.929 433 K CB -0.495 32.005 32.500 0.001 0.000 0.713 433 K HN 0.230 nan 8.250 nan 0.000 0.439 434 F N 2.314 122.229 119.950 -0.057 0.000 2.069 434 F HA -0.260 4.267 4.527 -0.001 0.000 0.298 434 F C 1.775 177.557 175.800 -0.031 0.000 1.113 434 F CA 2.043 60.030 58.000 -0.021 0.000 1.214 434 F CB -0.225 38.832 39.000 0.096 0.000 0.978 434 F HN 0.147 nan 8.300 nan 0.000 0.474 435 D N -0.502 120.020 120.400 0.202 0.000 2.117 435 D HA -0.146 4.493 4.640 -0.000 0.000 0.197 435 D C 2.320 178.587 176.300 -0.054 0.000 0.987 435 D CA 1.941 55.997 54.000 0.093 0.000 0.829 435 D CB -0.742 40.126 40.800 0.114 0.000 0.961 435 D HN 0.290 nan 8.370 nan 0.000 0.460 436 T N 0.058 114.580 114.554 -0.053 0.000 2.777 436 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 436 T C 1.983 176.613 174.700 -0.115 0.000 1.040 436 T CA 1.561 63.618 62.100 -0.072 0.000 1.141 436 T CB -0.344 68.488 68.868 -0.059 0.000 0.868 436 T HN 0.151 nan 8.240 nan 0.000 0.444 437 T N 1.712 116.166 114.554 -0.166 0.000 2.737 437 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 437 T C 2.171 176.737 174.700 -0.224 0.000 1.038 437 T CA 0.817 62.795 62.100 -0.203 0.000 1.144 437 T CB -0.547 68.173 68.868 -0.246 0.000 0.866 437 T HN 0.116 nan 8.240 nan 0.000 0.434 438 V N 1.779 121.457 119.914 -0.393 0.000 2.469 438 V HA -0.189 3.930 4.120 -0.000 0.000 0.251 438 V C 2.482 178.450 176.094 -0.210 0.000 1.064 438 V CA 1.617 63.641 62.300 -0.459 0.000 1.066 438 V CB -0.552 30.824 31.823 -0.745 0.000 0.667 438 V HN 0.463 nan 8.190 nan 0.000 0.461 439 K N 0.397 120.710 120.400 -0.145 0.000 2.211 439 K HA -0.211 4.109 4.320 -0.000 0.000 0.204 439 K C 1.989 178.573 176.600 -0.028 0.000 1.047 439 K CA 1.891 58.133 56.287 -0.075 0.000 0.935 439 K CB -0.188 32.276 32.500 -0.059 0.000 0.728 439 K HN 0.704 nan 8.250 nan 0.000 0.452 440 T N -1.292 113.259 114.554 -0.005 0.000 3.100 440 T HA 0.049 4.398 4.350 -0.000 0.000 0.253 440 T C 0.495 175.288 174.700 0.155 0.000 1.118 440 T CA -0.327 61.814 62.100 0.067 0.000 1.058 440 T CB 0.073 68.975 68.868 0.057 0.000 0.953 440 T HN 0.050 nan 8.240 nan 0.000 0.515 441 L N 2.273 123.566 121.223 0.115 0.000 2.292 441 L HA 0.608 4.947 4.340 -0.000 0.000 0.284 441 L C -0.626 176.328 176.870 0.140 0.000 1.065 441 L CA -0.100 54.779 54.840 0.065 0.000 0.806 441 L CB 1.462 43.546 42.059 0.041 0.000 1.175 441 L HN 0.059 nan 8.230 nan 0.000 0.431 442 S N 5.480 121.219 115.700 0.065 0.000 2.532 442 S HA 0.783 5.253 4.470 -0.000 0.000 0.301 442 S C -0.712 173.901 174.600 0.022 0.000 1.083 442 S CA -0.493 57.780 58.200 0.122 0.000 1.025 442 S CB 1.437 64.690 63.200 0.089 0.000 1.056 442 S HN 0.506 nan 8.310 nan 0.000 0.494 443 I N 1.792 122.381 120.570 0.031 0.000 2.656 443 I HA 0.557 4.726 4.170 -0.000 0.000 0.292 443 I C -1.127 174.987 176.117 -0.004 0.000 1.144 443 I CA -0.527 60.724 61.300 -0.082 0.000 1.038 443 I CB 2.359 40.201 38.000 -0.262 0.000 1.244 443 I HN 0.458 nan 8.210 nan 0.000 0.420 444 D N 2.467 122.859 120.400 -0.014 0.000 2.665 444 D HA 0.670 5.309 4.640 -0.000 0.000 0.287 444 D C -1.416 174.883 176.300 -0.003 0.000 1.266 444 D CA -0.069 53.935 54.000 0.007 0.000 0.830 444 D CB 2.553 43.358 40.800 0.007 0.000 1.356 444 D HN 0.600 nan 8.370 nan 0.000 0.437 445 S N -0.456 115.251 115.700 0.012 0.000 2.618 445 S HA 0.874 5.343 4.470 -0.000 0.000 0.277 445 S C -0.602 174.016 174.600 0.031 0.000 1.138 445 S CA -0.817 57.403 58.200 0.033 0.000 0.844 445 S CB 1.328 64.571 63.200 0.072 0.000 1.127 445 S HN 0.542 nan 8.310 nan 0.000 0.474 446 I N -1.712 118.898 120.570 0.066 0.000 2.828 446 I HA 0.644 4.814 4.170 -0.000 0.000 0.302 446 I C -1.282 174.940 176.117 0.175 0.000 1.101 446 I CA -1.059 60.292 61.300 0.084 0.000 1.031 446 I CB 2.232 40.266 38.000 0.057 0.000 1.231 446 I HN 0.644 nan 8.210 nan 0.000 0.427 447 Q N 3.548 123.448 119.800 0.166 0.000 2.394 447 Q HA 0.375 4.714 4.340 -0.000 0.000 0.261 447 Q C -1.597 174.540 176.000 0.228 0.000 1.023 447 Q CA -0.542 55.409 55.803 0.247 0.000 0.720 447 Q CB 2.443 31.199 28.738 0.029 0.000 1.241 447 Q HN 0.643 nan 8.270 nan 0.000 0.483 448 F N 2.263 122.311 119.950 0.163 0.000 2.445 448 F HA 0.130 4.657 4.527 -0.000 0.000 0.359 448 F C 0.733 176.573 175.800 0.068 0.000 1.101 448 F CA 0.415 58.441 58.000 0.044 0.000 1.177 448 F CB 0.868 39.858 39.000 -0.017 0.000 1.110 448 F HN 0.512 nan 8.300 nan 0.000 0.522 449 Q N 3.915 123.381 119.800 -0.557 0.000 2.247 449 Q HA 0.188 4.527 4.340 -0.000 0.000 0.211 449 Q C 1.831 177.512 176.000 -0.532 0.000 0.861 449 Q CA 0.030 55.612 55.803 -0.368 0.000 0.949 449 Q CB 0.375 28.956 28.738 -0.262 0.000 1.115 449 Q HN 0.718 nan 8.270 nan 0.000 0.507 450 R N -0.231 119.622 120.500 -1.078 0.000 2.115 450 R HA 0.019 4.358 4.340 -0.000 0.000 0.230 450 R C 0.645 176.653 176.300 -0.487 0.000 1.111 450 R CA 1.109 56.737 56.100 -0.787 0.000 0.976 450 R CB 0.246 29.990 30.300 -0.926 0.000 0.870 450 R HN 0.170 nan 8.270 nan 0.000 0.445 451 G N -2.438 106.112 108.800 -0.416 0.000 2.349 451 G HA2 0.434 4.394 3.960 -0.000 0.000 0.294 451 G HA3 0.434 4.394 3.960 -0.000 0.000 0.294 451 G C -1.021 174.065 174.900 0.311 0.000 1.380 451 G CA -0.419 44.727 45.100 0.076 0.000 0.811 451 G HN 0.247 nan 8.290 nan 0.000 0.519 452 G N -1.181 107.887 108.800 0.447 0.000 3.008 452 G HA2 0.446 4.406 3.960 -0.000 0.000 0.148 452 G HA3 0.446 4.406 3.960 -0.000 0.000 0.148 452 G C 0.633 175.726 174.900 0.321 0.000 1.184 452 G CA 0.368 45.692 45.100 0.372 0.000 1.087 452 G HN 0.646 nan 8.290 nan 0.000 0.602 453 K N 0.160 120.665 120.400 0.174 0.000 2.063 453 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 453 K C 2.204 178.876 176.600 0.120 0.000 1.048 453 K CA 1.746 58.100 56.287 0.112 0.000 0.928 453 K CB -0.080 32.452 32.500 0.053 0.000 0.713 453 K HN 0.548 nan 8.250 nan 0.000 0.442 454 E N 0.327 120.620 120.200 0.156 0.000 2.038 454 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 454 E C 1.912 178.607 176.600 0.159 0.000 1.000 454 E CA 1.206 57.690 56.400 0.140 0.000 0.803 454 E CB -0.145 29.649 29.700 0.157 0.000 0.750 454 E HN 0.238 nan 8.360 nan 0.000 0.448 455 F N 1.156 121.167 119.950 0.102 0.000 2.102 455 F HA -0.140 4.387 4.527 -0.001 0.000 0.298 455 F C 1.920 177.717 175.800 -0.004 0.000 1.105 455 F CA 1.396 59.445 58.000 0.081 0.000 1.239 455 F CB -0.220 38.893 39.000 0.189 0.000 0.991 455 F HN 0.010 nan 8.300 nan 0.000 0.474 456 L N 0.060 121.271 121.223 -0.020 0.000 2.093 456 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 456 L C 2.421 179.169 176.870 -0.204 0.000 1.085 456 L CA 1.429 56.144 54.840 -0.210 0.000 0.755 456 L CB -0.681 41.343 42.059 -0.057 0.000 0.904 456 L HN 0.076 nan 8.230 nan 0.000 0.435 457 K N 0.269 120.607 120.400 -0.102 0.000 2.097 457 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 457 K C 2.119 178.647 176.600 -0.121 0.000 1.049 457 K CA 1.252 57.489 56.287 -0.084 0.000 0.933 457 K CB -0.038 32.444 32.500 -0.030 0.000 0.717 457 K HN 0.216 nan 8.250 nan 0.000 0.442 458 K N 0.643 120.951 120.400 -0.153 0.000 2.147 458 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 458 K C 1.428 177.891 176.600 -0.228 0.000 1.049 458 K CA 0.957 57.145 56.287 -0.164 0.000 0.936 458 K CB 0.161 32.575 32.500 -0.143 0.000 0.722 458 K HN -0.062 nan 8.250 nan 0.000 0.446 459 K N 0.818 121.004 120.400 -0.357 0.000 2.505 459 K HA 0.014 4.334 4.320 -0.000 0.000 0.192 459 K C -0.149 176.329 176.600 -0.205 0.000 1.025 459 K CA 0.370 56.461 56.287 -0.327 0.000 1.086 459 K CB 0.323 32.524 32.500 -0.498 0.000 0.840 459 K HN 0.223 nan 8.250 nan 0.000 0.514 460 Q N 0.004 119.708 119.800 -0.161 0.000 2.502 460 Q HA -0.179 4.161 4.340 -0.000 0.000 0.273 460 Q C -0.713 175.221 176.000 -0.109 0.000 1.127 460 Q CA 0.444 56.181 55.803 -0.109 0.000 0.952 460 Q CB -1.891 26.796 28.738 -0.085 0.000 1.333 460 Q HN 0.264 nan 8.270 nan 0.000 0.494 461 L N -0.303 120.842 121.223 -0.130 0.000 2.330 461 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 461 L C 0.557 177.375 176.870 -0.086 0.000 1.013 461 L CA -0.807 53.963 54.840 -0.118 0.000 0.816 461 L CB 1.829 43.796 42.059 -0.153 0.000 1.287 461 L HN 0.040 nan 8.230 nan 0.000 0.435 462 S N 1.641 117.302 115.700 -0.066 0.000 2.455 462 S HA 0.232 4.702 4.470 -0.000 0.000 0.278 462 S C -1.728 172.842 174.600 -0.050 0.000 1.216 462 S CA -1.204 56.976 58.200 -0.034 0.000 1.055 462 S CB 0.909 64.114 63.200 0.008 0.000 0.939 462 S HN 0.348 nan 8.310 nan 0.000 0.494 463 P HA -0.096 nan 4.420 nan 0.000 0.216 463 P C 0.919 178.200 177.300 -0.031 0.000 1.150 463 P CA 1.011 64.099 63.100 -0.020 0.000 0.837 463 P CB 0.098 31.806 31.700 0.013 0.000 0.786 464 D N -0.697 119.708 120.400 0.008 0.000 2.117 464 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 464 D C 1.938 178.126 176.300 -0.186 0.000 0.987 464 D CA 1.427 55.453 54.000 0.044 0.000 0.829 464 D CB -0.608 40.286 40.800 0.157 0.000 0.961 464 D HN -0.026 nan 8.370 nan 0.000 0.460 465 A N -0.276 122.394 122.820 -0.251 0.000 1.933 465 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 465 A C 2.461 179.796 177.584 -0.414 0.000 1.175 465 A CA 1.472 53.188 52.037 -0.535 0.000 0.628 465 A CB -0.728 18.131 19.000 -0.236 0.000 0.814 465 A HN 0.214 nan 8.150 nan 0.000 0.444 466 V N -0.174 119.568 119.914 -0.286 0.000 2.358 466 V HA -0.223 3.896 4.120 -0.000 0.000 0.246 466 V C 3.050 178.898 176.094 -0.409 0.000 1.047 466 V CA 1.800 63.929 62.300 -0.285 0.000 1.035 466 V CB -1.251 30.459 31.823 -0.189 0.000 0.658 466 V HN 0.614 nan 8.190 nan 0.000 0.452 467 A N -0.646 121.902 122.820 -0.454 0.000 1.883 467 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 467 A C 2.201 178.994 177.584 -1.318 0.000 1.186 467 A CA 1.791 53.339 52.037 -0.815 0.000 0.624 467 A CB -0.503 18.102 19.000 -0.658 0.000 0.822 467 A HN 0.531 nan 8.150 nan 0.000 0.444 468 Q N -0.965 118.325 119.800 -0.850 0.000 2.084 468 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 468 Q C 2.144 177.876 176.000 -0.447 0.000 0.978 468 Q CA 1.498 56.950 55.803 -0.585 0.000 0.844 468 Q CB -0.657 27.846 28.738 -0.392 0.000 0.898 468 Q HN 0.621 nan 8.270 nan 0.000 0.426 469 L N 0.839 121.809 121.223 -0.422 0.000 2.042 469 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 469 L C 2.165 178.840 176.870 -0.324 0.000 1.076 469 L CA 2.208 56.871 54.840 -0.295 0.000 0.749 469 L CB -0.843 41.050 42.059 -0.276 0.000 0.893 469 L HN 0.126 nan 8.230 nan 0.000 0.432 470 A N -0.740 121.786 122.820 -0.490 0.000 1.940 470 A HA -0.194 4.125 4.320 -0.000 0.000 0.219 470 A C 2.015 179.441 177.584 -0.263 0.000 1.176 470 A CA 1.972 53.744 52.037 -0.442 0.000 0.631 470 A CB -1.027 17.643 19.000 -0.549 0.000 0.814 470 A HN 0.503 nan 8.150 nan 0.000 0.446 471 F N 0.373 120.249 119.950 -0.124 0.000 2.186 471 F HA -0.043 4.483 4.527 -0.001 0.000 0.299 471 F C 1.803 177.702 175.800 0.165 0.000 1.090 471 F CA 0.039 58.064 58.000 0.042 0.000 1.307 471 F CB -1.132 37.922 39.000 0.090 0.000 1.019 471 F HN 0.153 nan 8.300 nan 0.000 0.489 475 F N 0.879 121.055 119.950 0.376 0.000 2.171 475 F HA -0.029 4.498 4.527 -0.001 0.000 0.300 475 F C 1.832 177.822 175.800 0.317 0.000 1.090 475 F CA 2.129 60.423 58.000 0.491 0.000 1.293 475 F CB 0.029 39.306 39.000 0.461 0.000 1.013 475 F HN 0.266 nan 8.300 nan 0.000 0.486 476 L N 0.634 122.077 121.223 0.368 0.000 2.046 476 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 476 L C 2.601 179.537 176.870 0.110 0.000 1.077 476 L CA 1.867 56.843 54.840 0.227 0.000 0.747 476 L CB -0.755 41.413 42.059 0.181 0.000 0.896 476 L HN 0.111 nan 8.230 nan 0.000 0.432 477 R N -1.051 119.493 120.500 0.074 0.000 2.081 477 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 477 R C 2.383 178.650 176.300 -0.054 0.000 1.131 477 R CA 2.048 58.157 56.100 0.014 0.000 0.960 477 R CB -0.309 29.991 30.300 -0.000 0.000 0.856 477 R HN 0.603 nan 8.270 nan 0.000 0.436 478 Q N -1.218 118.512 119.800 -0.117 0.000 2.062 478 Q HA -0.131 4.209 4.340 -0.000 0.000 0.196 478 Q C 0.743 176.453 176.000 -0.482 0.000 0.967 478 Q CA 1.301 56.898 55.803 -0.344 0.000 0.832 478 Q CB 0.188 28.655 28.738 -0.453 0.000 0.899 478 Q HN 0.459 nan 8.270 nan 0.000 0.442 479 Y N -1.509 118.661 120.300 -0.216 0.000 2.445 479 Y HA 0.346 4.896 4.550 0.000 0.000 0.247 479 Y C 1.089 176.955 175.900 -0.056 0.000 1.129 479 Y CA 0.265 58.236 58.100 -0.216 0.000 1.251 479 Y CB 1.271 39.410 38.460 -0.535 0.000 1.176 479 Y HN 0.294 nan 8.280 nan 0.000 0.522 480 G N 1.030 109.901 108.800 0.118 0.000 2.198 480 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 480 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 480 G C -0.049 174.958 174.900 0.179 0.000 1.025 480 G CA 0.326 45.504 45.100 0.130 0.000 0.769 480 G HN 0.407 nan 8.290 nan 0.000 0.507 481 Q N -0.969 119.002 119.800 0.284 0.000 2.484 481 Q HA 0.672 5.012 4.340 -0.000 0.000 0.285 481 Q C -0.765 175.454 176.000 0.364 0.000 1.097 481 Q CA -0.703 55.285 55.803 0.310 0.000 0.802 481 Q CB 1.991 30.946 28.738 0.361 0.000 1.444 481 Q HN 0.170 nan 8.270 nan 0.000 0.429 482 T N 1.246 115.928 114.554 0.213 0.000 2.770 482 T HA 0.555 4.905 4.350 -0.000 0.000 0.283 482 T C -0.475 174.258 174.700 0.055 0.000 0.988 482 T CA -0.600 61.581 62.100 0.135 0.000 0.957 482 T CB 0.836 69.755 68.868 0.084 0.000 0.930 482 T HN 0.439 nan 8.240 nan 0.000 0.443 483 V N 0.148 120.027 119.914 -0.057 0.000 3.126 483 V HA 0.991 5.111 4.120 -0.000 0.000 0.314 483 V C 0.087 176.128 176.094 -0.088 0.000 1.138 483 V CA -1.809 60.420 62.300 -0.118 0.000 1.034 483 V CB 1.297 32.928 31.823 -0.320 0.000 1.075 483 V HN 0.984 nan 8.190 nan 0.000 0.442 484 A N 1.314 124.111 122.820 -0.039 0.000 2.546 484 A HA 0.576 4.896 4.320 -0.000 0.000 0.243 484 A C 0.438 178.028 177.584 0.010 0.000 1.063 484 A CA 0.527 52.576 52.037 0.020 0.000 0.757 484 A CB -0.654 18.381 19.000 0.059 0.000 0.991 484 A HN 1.128 nan 8.150 nan 0.000 0.503 485 T N 1.968 116.561 114.554 0.066 0.000 2.886 485 T HA 0.510 4.860 4.350 -0.000 0.000 0.292 485 T C -1.327 173.470 174.700 0.162 0.000 1.012 485 T CA -0.095 62.063 62.100 0.096 0.000 0.982 485 T CB 1.057 69.978 68.868 0.088 0.000 1.018 485 T HN 0.523 nan 8.240 nan 0.000 0.451 486 Y N 1.814 122.147 120.300 0.054 0.000 2.361 486 Y HA 0.592 5.141 4.550 -0.001 0.000 0.337 486 Y C -0.371 175.573 175.900 0.073 0.000 0.965 486 Y CA -0.631 57.498 58.100 0.048 0.000 1.091 486 Y CB 1.266 39.744 38.460 0.029 0.000 1.182 486 Y HN 0.678 nan 8.280 nan 0.000 0.450 487 E N 3.777 123.906 120.200 -0.120 0.000 2.292 487 E HA 0.454 4.804 4.350 -0.000 0.000 0.272 487 E C -1.373 175.070 176.600 -0.260 0.000 0.881 487 E CA -0.692 55.708 56.400 -0.000 0.000 0.754 487 E CB 1.664 31.429 29.700 0.108 0.000 1.201 487 E HN 0.656 nan 8.360 nan 0.000 0.425 488 S N 1.893 117.550 115.700 -0.071 0.000 2.610 488 S HA 0.390 4.860 4.470 -0.000 0.000 0.273 488 S C -0.834 173.686 174.600 -0.134 0.000 1.274 488 S CA -0.601 57.535 58.200 -0.107 0.000 1.023 488 S CB 1.239 64.460 63.200 0.035 0.000 0.962 488 S HN 0.566 nan 8.310 nan 0.000 0.523 489 C N 2.340 121.535 119.300 -0.176 0.000 2.609 489 C HA 0.668 5.128 4.460 -0.000 0.000 0.313 489 C C 0.352 175.237 174.990 -0.176 0.000 1.175 489 C CA -0.654 58.260 59.018 -0.174 0.000 1.434 489 C CB 1.073 28.697 27.740 -0.194 0.000 2.005 489 C HN 0.854 nan 8.230 nan 0.000 0.471 490 S N 2.264 117.865 115.700 -0.166 0.000 2.531 490 S HA 0.326 4.796 4.470 -0.000 0.000 0.279 490 S C 1.061 175.583 174.600 -0.131 0.000 1.305 490 S CA 0.391 58.500 58.200 -0.152 0.000 1.058 490 S CB 0.528 63.645 63.200 -0.139 0.000 0.899 490 S HN 0.995 nan 8.310 nan 0.000 0.493 491 T N 2.276 116.771 114.554 -0.098 0.000 3.243 491 T HA 0.413 4.762 4.350 -0.000 0.000 0.264 491 T C 1.099 175.843 174.700 0.074 0.000 1.000 491 T CA 0.031 62.145 62.100 0.024 0.000 0.901 491 T CB 0.173 69.044 68.868 0.004 0.000 1.083 491 T HN 0.599 nan 8.240 nan 0.000 0.559 492 A N 0.797 123.606 122.820 -0.018 0.000 2.239 492 A HA 0.557 4.876 4.320 -0.000 0.000 0.209 492 A C 2.409 179.968 177.584 -0.042 0.000 1.171 492 A CA 0.695 52.733 52.037 0.002 0.000 0.768 492 A CB -0.829 18.179 19.000 0.013 0.000 0.790 492 A HN 0.747 nan 8.150 nan 0.000 0.478 493 A N -0.959 121.760 122.820 -0.168 0.000 2.178 493 A HA 0.279 4.598 4.320 -0.000 0.000 0.218 493 A C 0.423 177.650 177.584 -0.596 0.000 1.157 493 A CA 0.502 52.319 52.037 -0.368 0.000 0.689 493 A CB -0.415 18.253 19.000 -0.554 0.000 0.787 493 A HN 0.387 nan 8.150 nan 0.000 0.465 494 F N -1.428 118.487 119.950 -0.058 0.000 2.523 494 F HA 0.532 5.059 4.527 -0.000 0.000 0.329 494 F C 0.356 176.108 175.800 -0.081 0.000 1.061 494 F CA -1.522 56.410 58.000 -0.114 0.000 0.967 494 F CB 1.031 39.962 39.000 -0.115 0.000 1.218 494 F HN -0.192 nan 8.300 nan 0.000 0.480 495 K N 1.091 121.535 120.400 0.072 0.000 2.453 495 K HA 0.028 4.347 4.320 -0.000 0.000 0.280 495 K C -0.209 176.449 176.600 0.097 0.000 1.045 495 K CA 0.518 56.812 56.287 0.013 0.000 1.059 495 K CB -0.505 31.926 32.500 -0.116 0.000 0.901 495 K HN 0.572 nan 8.250 nan 0.000 0.475 496 H N 0.377 119.474 119.070 0.045 0.000 2.776 496 H HA -0.167 4.388 4.556 -0.001 0.000 0.300 496 H C 0.491 175.815 175.328 -0.007 0.000 1.161 496 H CA 0.990 57.064 56.048 0.044 0.000 1.147 496 H CB -1.962 27.824 29.762 0.039 0.000 1.366 496 H HN 0.750 nan 8.280 nan 0.000 0.397 497 G N -0.188 108.686 108.800 0.125 0.000 2.544 497 G HA2 0.350 4.310 3.960 -0.000 0.000 0.242 497 G HA3 0.350 4.310 3.960 -0.000 0.000 0.242 497 G C 0.840 175.706 174.900 -0.057 0.000 1.247 497 G CA -0.408 44.718 45.100 0.043 0.000 0.840 497 G HN 0.161 nan 8.290 nan 0.000 0.578 498 R N -0.393 120.005 120.500 -0.169 0.000 2.520 498 R HA 0.501 4.841 4.340 -0.000 0.000 0.108 498 R C 0.585 176.716 176.300 -0.282 0.000 1.329 498 R CA 0.320 56.257 56.100 -0.272 0.000 1.130 498 R CB -0.523 29.513 30.300 -0.441 0.000 0.965 498 R HN 0.702 nan 8.270 nan 0.000 0.405 499 T N -0.922 113.377 114.554 -0.425 0.000 2.901 499 T HA 0.657 5.006 4.350 -0.000 0.000 0.293 499 T C -0.884 173.559 174.700 -0.429 0.000 1.084 499 T CA -0.709 61.179 62.100 -0.353 0.000 1.008 499 T CB 2.802 71.506 68.868 -0.272 0.000 1.170 499 T HN 0.176 nan 8.240 nan 0.000 0.509 500 E N -0.144 119.861 120.200 -0.325 0.000 2.343 500 E HA 0.576 4.926 4.350 -0.000 0.000 0.270 500 E C -1.175 175.216 176.600 -0.348 0.000 0.895 500 E CA -0.568 55.635 56.400 -0.329 0.000 0.767 500 E CB 2.163 31.713 29.700 -0.250 0.000 1.248 500 E HN 0.731 nan 8.360 nan 0.000 0.440 501 T N 3.369 117.677 114.554 -0.411 0.000 2.771 501 T HA 0.432 4.781 4.350 -0.000 0.000 0.291 501 T C 0.217 174.656 174.700 -0.435 0.000 0.954 501 T CA -0.294 61.468 62.100 -0.563 0.000 1.045 501 T CB -0.026 68.465 68.868 -0.629 0.000 0.917 501 T HN 0.330 nan 8.240 nan 0.000 0.484 502 I N 3.813 124.153 120.570 -0.383 0.000 2.395 502 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 502 I C 0.719 176.722 176.117 -0.191 0.000 1.023 502 I CA -0.606 60.536 61.300 -0.264 0.000 1.350 502 I CB 0.633 38.490 38.000 -0.238 0.000 1.409 502 I HN 0.221 nan 8.210 nan 0.000 0.507 503 R N 7.506 127.960 120.500 -0.076 0.000 2.369 503 R HA 0.269 4.609 4.340 -0.000 0.000 0.310 503 R C -1.987 174.393 176.300 0.134 0.000 1.141 503 R CA -1.859 54.273 56.100 0.053 0.000 1.116 503 R CB 0.641 31.048 30.300 0.179 0.000 1.135 503 R HN 0.362 nan 8.270 nan 0.000 0.529 504 P HA -0.018 nan 4.420 nan 0.000 0.229 504 P C 0.063 177.490 177.300 0.212 0.000 1.160 504 P CA 0.555 63.811 63.100 0.260 0.000 0.777 504 P CB 0.413 32.256 31.700 0.238 0.000 0.814 505 A N 0.545 123.464 122.820 0.165 0.000 2.410 505 A HA 0.456 4.776 4.320 -0.000 0.000 0.292 505 A C 0.636 178.309 177.584 0.149 0.000 1.232 505 A CA 0.027 52.143 52.037 0.131 0.000 0.893 505 A CB -0.554 18.500 19.000 0.089 0.000 1.131 505 A HN 0.238 nan 8.150 nan 0.000 0.530 506 S N 1.932 117.724 115.700 0.153 0.000 2.715 506 S HA 0.605 5.075 4.470 -0.000 0.000 0.307 506 S C 0.858 175.420 174.600 -0.063 0.000 1.119 506 S CA -0.668 57.608 58.200 0.127 0.000 0.937 506 S CB 0.670 64.076 63.200 0.343 0.000 1.150 506 S HN 0.415 nan 8.310 nan 0.000 0.521 507 I N -0.037 120.356 120.570 -0.295 0.000 2.335 507 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 507 I C 1.551 177.402 176.117 -0.443 0.000 1.129 507 I CA 1.617 62.642 61.300 -0.458 0.000 1.402 507 I CB -0.451 37.111 38.000 -0.731 0.000 1.069 507 I HN 0.567 nan 8.210 nan 0.000 0.424 508 F N 0.458 120.338 119.950 -0.116 0.000 2.149 508 F HA -0.160 4.367 4.527 -0.000 0.000 0.294 508 F C 2.925 178.705 175.800 -0.033 0.000 1.095 508 F CA 1.592 59.545 58.000 -0.079 0.000 1.276 508 F CB -1.536 37.411 39.000 -0.088 0.000 1.023 508 F HN 0.105 nan 8.300 nan 0.000 0.480 509 T N -1.464 113.185 114.554 0.158 0.000 2.867 509 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 509 T C 1.945 176.675 174.700 0.050 0.000 1.057 509 T CA 1.418 63.568 62.100 0.083 0.000 1.136 509 T CB -0.432 68.480 68.868 0.073 0.000 0.874 509 T HN 0.249 nan 8.240 nan 0.000 0.466 510 K N 1.054 121.470 120.400 0.027 0.000 2.025 510 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 510 K C 2.747 179.358 176.600 0.018 0.000 1.049 510 K CA 0.917 57.215 56.287 0.018 0.000 0.933 510 K CB -0.195 32.295 32.500 -0.017 0.000 0.714 510 K HN 0.291 nan 8.250 nan 0.000 0.438 511 R N 0.178 120.675 120.500 -0.006 0.000 2.081 511 R HA -0.156 4.183 4.340 -0.000 0.000 0.235 511 R C 2.494 178.814 176.300 0.033 0.000 1.131 511 R CA 1.766 57.870 56.100 0.005 0.000 0.960 511 R CB -0.599 29.695 30.300 -0.010 0.000 0.856 511 R HN 0.419 nan 8.270 nan 0.000 0.436 512 C N 0.048 119.385 119.300 0.063 0.000 2.446 512 C HA -0.003 4.457 4.460 -0.000 0.000 0.277 512 C C 2.749 177.835 174.990 0.159 0.000 1.275 512 C CA 1.378 60.461 59.018 0.108 0.000 1.727 512 C CB -0.789 27.004 27.740 0.089 0.000 2.010 512 C HN 0.583 nan 8.230 nan 0.000 0.486 513 S N 0.445 116.195 115.700 0.083 0.000 2.368 513 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 513 S C 1.614 176.291 174.600 0.127 0.000 1.030 513 S CA 1.791 60.042 58.200 0.085 0.000 0.999 513 S CB -0.443 62.795 63.200 0.063 0.000 0.844 513 S HN 0.723 nan 8.310 nan 0.000 0.459 514 E N 1.223 121.481 120.200 0.096 0.000 2.110 514 E HA -0.119 4.230 4.350 -0.000 0.000 0.193 514 E C 2.345 179.007 176.600 0.102 0.000 0.988 514 E CA 1.016 57.471 56.400 0.092 0.000 0.804 514 E CB -0.264 29.478 29.700 0.069 0.000 0.745 514 E HN 0.518 nan 8.360 nan 0.000 0.458 515 A N 0.610 123.462 122.820 0.055 0.000 1.877 515 A HA -0.173 4.146 4.320 -0.000 0.000 0.216 515 A C 1.898 179.495 177.584 0.023 0.000 1.186 515 A CA 1.225 53.215 52.037 -0.078 0.000 0.620 515 A CB -0.719 17.981 19.000 -0.500 0.000 0.822 515 A HN 0.181 nan 8.150 nan 0.000 0.443 516 F N -0.526 119.406 119.950 -0.031 0.000 2.163 516 F HA -0.084 4.442 4.527 -0.001 0.000 0.297 516 F C 2.395 178.209 175.800 0.023 0.000 1.094 516 F CA 1.545 59.547 58.000 0.002 0.000 1.290 516 F CB -0.203 38.791 39.000 -0.010 0.000 1.017 516 F HN 0.033 nan 8.300 nan 0.000 0.483 517 V N -0.485 119.561 119.914 0.219 0.000 2.426 517 V HA -0.096 4.023 4.120 -0.000 0.000 0.242 517 V C 2.240 178.393 176.094 0.098 0.000 1.036 517 V CA 1.530 63.912 62.300 0.137 0.000 1.044 517 V CB -0.326 31.563 31.823 0.111 0.000 0.688 517 V HN 0.168 nan 8.190 nan 0.000 0.462 518 R N 0.787 121.345 120.500 0.097 0.000 2.105 518 R HA 0.063 4.402 4.340 -0.000 0.000 0.214 518 R C 0.460 176.803 176.300 0.072 0.000 1.091 518 R CA 1.238 57.383 56.100 0.075 0.000 1.007 518 R CB 0.031 30.374 30.300 0.072 0.000 0.912 518 R HN 0.636 nan 8.270 nan 0.000 0.450 519 D N 0.276 120.736 120.400 0.100 0.000 2.861 519 D HA 0.114 4.754 4.640 -0.000 0.000 0.357 519 D C -2.141 174.235 176.300 0.126 0.000 1.250 519 D CA -1.408 52.645 54.000 0.088 0.000 0.802 519 D CB 1.006 41.849 40.800 0.072 0.000 1.141 519 D HN -0.032 nan 8.370 nan 0.000 0.489 520 P HA -0.188 nan 4.420 nan 0.000 0.219 520 P C 1.597 178.911 177.300 0.022 0.000 1.146 520 P CA 1.203 64.325 63.100 0.037 0.000 0.808 520 P CB 0.071 31.759 31.700 -0.019 0.000 0.779 521 S N -0.670 115.028 115.700 -0.004 0.000 2.515 521 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 521 S C 1.676 176.225 174.600 -0.086 0.000 0.987 521 S CA 0.475 58.654 58.200 -0.035 0.000 0.936 521 S CB -0.782 62.401 63.200 -0.030 0.000 0.766 521 S HN 0.174 nan 8.310 nan 0.000 0.528 522 K N 0.532 120.833 120.400 -0.164 0.000 2.487 522 K HA 0.128 4.448 4.320 -0.000 0.000 0.192 522 K C -0.136 176.139 176.600 -0.543 0.000 1.027 522 K CA 0.353 56.420 56.287 -0.366 0.000 1.054 522 K CB 0.069 32.281 32.500 -0.480 0.000 0.824 522 K HN 0.584 nan 8.250 nan 0.000 0.510 523 H N -0.348 118.687 119.070 -0.058 0.000 2.600 523 H HA 0.126 4.682 4.556 -0.001 0.000 0.357 523 H C -0.145 175.141 175.328 -0.071 0.000 1.106 523 H CA -0.833 55.176 56.048 -0.065 0.000 1.193 523 H CB 1.883 31.590 29.762 -0.092 0.000 1.594 523 H HN 0.022 nan 8.280 nan 0.000 0.526 524 S N 0.636 116.371 115.700 0.058 0.000 2.593 524 S HA 0.061 4.531 4.470 -0.000 0.000 0.269 524 S C 1.706 176.312 174.600 0.009 0.000 1.334 524 S CA -0.157 58.055 58.200 0.019 0.000 1.015 524 S CB 0.950 64.159 63.200 0.015 0.000 0.912 524 S HN 0.501 nan 8.310 nan 0.000 0.541 525 V N 0.167 120.078 119.914 -0.004 0.000 2.392 525 V HA 0.052 4.172 4.120 -0.000 0.000 0.249 525 V C 2.322 178.424 176.094 0.013 0.000 1.059 525 V CA 1.982 64.276 62.300 -0.009 0.000 1.051 525 V CB -2.055 29.773 31.823 0.007 0.000 0.658 525 V HN 0.977 nan 8.190 nan 0.000 0.455 526 G N -0.060 108.753 108.800 0.022 0.000 2.418 526 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.217 526 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.217 526 G C 1.434 176.369 174.900 0.059 0.000 1.158 526 G CA 0.951 46.072 45.100 0.036 0.000 0.771 526 G HN 0.625 nan 8.290 nan 0.000 0.545 527 E N -0.012 120.220 120.200 0.053 0.000 2.077 527 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 527 E C 2.572 179.210 176.600 0.062 0.000 0.989 527 E CA 0.509 56.957 56.400 0.079 0.000 0.800 527 E CB -0.175 29.585 29.700 0.100 0.000 0.746 527 E HN 0.388 nan 8.360 nan 0.000 0.452 528 L N 0.733 121.953 121.223 -0.004 0.000 2.046 528 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 528 L C 2.542 179.469 176.870 0.095 0.000 1.077 528 L CA 1.262 56.081 54.840 -0.036 0.000 0.747 528 L CB -0.424 41.489 42.059 -0.245 0.000 0.896 528 L HN 0.167 nan 8.230 nan 0.000 0.432 529 Q N -1.102 118.746 119.800 0.080 0.000 2.096 529 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 529 Q C 0.985 177.020 176.000 0.058 0.000 0.982 529 Q CA 1.095 56.942 55.803 0.073 0.000 0.850 529 Q CB -0.231 28.540 28.738 0.055 0.000 0.901 529 Q HN 0.463 nan 8.270 nan 0.000 0.422 534 E N 0.214 120.166 120.200 -0.415 0.000 2.051 534 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 534 E C 1.852 178.200 176.600 -0.421 0.000 0.991 534 E CA 1.628 57.732 56.400 -0.494 0.000 0.799 534 E CB -0.307 29.103 29.700 -0.483 0.000 0.748 534 E HN 0.684 nan 8.360 nan 0.000 0.449 535 C N 0.221 119.413 119.300 -0.180 0.000 2.413 535 C HA -0.160 4.299 4.460 -0.000 0.000 0.277 535 C C 3.098 178.081 174.990 -0.012 0.000 1.228 535 C CA 1.206 60.213 59.018 -0.019 0.000 1.731 535 C CB -0.893 26.840 27.740 -0.012 0.000 2.042 535 C HN 0.472 nan 8.230 nan 0.000 0.468 536 S N 0.075 115.728 115.700 -0.077 0.000 2.368 536 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 536 S C 2.001 176.587 174.600 -0.022 0.000 1.030 536 S CA 1.996 60.166 58.200 -0.050 0.000 0.999 536 S CB -0.367 62.778 63.200 -0.091 0.000 0.844 536 S HN 0.676 nan 8.310 nan 0.000 0.459 537 K N -0.836 119.514 120.400 -0.083 0.000 2.032 537 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 537 K C 2.091 178.680 176.600 -0.019 0.000 1.048 537 K CA 1.819 58.061 56.287 -0.075 0.000 0.927 537 K CB -0.501 31.918 32.500 -0.135 0.000 0.712 537 K HN 0.509 nan 8.250 nan 0.000 0.441 538 Y N 0.728 120.926 120.300 -0.171 0.000 2.242 538 Y HA -0.235 4.315 4.550 -0.001 0.000 0.291 538 Y C 2.344 178.258 175.900 0.023 0.000 1.137 538 Y CA 1.881 59.935 58.100 -0.076 0.000 1.181 538 Y CB -0.369 38.056 38.460 -0.059 0.000 0.989 538 Y HN 0.291 nan 8.280 nan 0.000 0.527 539 H N -0.717 118.337 119.070 -0.026 0.000 2.387 539 H HA -0.120 4.436 4.556 -0.001 0.000 0.299 539 H C 2.214 177.469 175.328 -0.121 0.000 1.090 539 H CA 1.376 57.374 56.048 -0.082 0.000 1.332 539 H CB -0.391 29.355 29.762 -0.027 0.000 1.386 539 H HN 0.526 nan 8.280 nan 0.000 0.516 540 G N 0.242 109.018 108.800 -0.040 0.000 2.418 540 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 540 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 540 G C 1.658 176.468 174.900 -0.150 0.000 1.158 540 G CA 0.710 45.760 45.100 -0.084 0.000 0.771 540 G HN 0.458 nan 8.290 nan 0.000 0.545 541 Q N -0.213 119.487 119.800 -0.166 0.000 2.061 541 Q HA -0.051 4.289 4.340 -0.000 0.000 0.204 541 Q C 2.612 178.462 176.000 -0.250 0.000 0.984 541 Q CA 1.145 56.839 55.803 -0.180 0.000 0.846 541 Q CB -0.235 28.402 28.738 -0.168 0.000 0.902 541 Q HN 0.504 nan 8.270 nan 0.000 0.421 542 L N -0.026 120.964 121.223 -0.389 0.000 2.083 542 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 542 L C 2.511 179.199 176.870 -0.303 0.000 1.083 542 L CA 1.510 56.132 54.840 -0.364 0.000 0.752 542 L CB -0.653 41.143 42.059 -0.438 0.000 0.899 542 L HN 0.310 nan 8.230 nan 0.000 0.433 543 T N -0.506 113.839 114.554 -0.348 0.000 2.674 543 T HA -0.254 4.096 4.350 -0.000 0.000 0.265 543 T C 1.923 176.503 174.700 -0.200 0.000 1.039 543 T CA 1.603 63.533 62.100 -0.283 0.000 1.150 543 T CB -0.127 68.579 68.868 -0.270 0.000 0.864 543 T HN 0.256 nan 8.240 nan 0.000 0.427 544 K N 0.992 121.292 120.400 -0.166 0.000 2.057 544 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 544 K C 2.238 178.772 176.600 -0.110 0.000 1.049 544 K CA 1.466 57.676 56.287 -0.128 0.000 0.931 544 K CB -0.064 32.380 32.500 -0.094 0.000 0.714 544 K HN 0.401 nan 8.250 nan 0.000 0.440 545 E N 0.055 120.189 120.200 -0.110 0.000 2.058 545 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 545 E C 1.988 178.535 176.600 -0.089 0.000 0.997 545 E CA 1.239 57.590 56.400 -0.081 0.000 0.801 545 E CB -0.165 29.490 29.700 -0.076 0.000 0.746 545 E HN 0.454 nan 8.360 nan 0.000 0.450 546 A N 1.699 124.441 122.820 -0.130 0.000 1.902 546 A HA -0.019 4.300 4.320 -0.000 0.000 0.217 546 A C 1.604 179.116 177.584 -0.120 0.000 1.181 546 A CA 1.199 53.149 52.037 -0.146 0.000 0.623 546 A CB -0.614 18.269 19.000 -0.195 0.000 0.818 546 A HN 0.294 nan 8.150 nan 0.000 0.443 550 Q N 1.115 120.876 119.800 -0.066 0.000 2.201 550 Q HA 0.291 4.631 4.340 -0.000 0.000 0.236 550 Q C 1.166 177.170 176.000 0.007 0.000 0.857 550 Q CA 0.039 55.829 55.803 -0.022 0.000 1.025 550 Q CB 1.224 29.953 28.738 -0.015 0.000 1.124 550 Q HN 0.438 nan 8.270 nan 0.000 0.473 551 G N 0.092 108.874 108.800 -0.030 0.000 2.588 551 G HA2 0.219 4.179 3.960 -0.000 0.000 0.278 551 G HA3 0.219 4.179 3.960 -0.000 0.000 0.278 551 G C 0.316 175.272 174.900 0.094 0.000 1.307 551 G CA -0.352 44.728 45.100 -0.034 0.000 1.016 551 G HN 0.339 nan 8.290 nan 0.000 0.503 552 F N -2.761 117.247 119.950 0.098 0.000 2.694 552 F HA 0.340 4.866 4.527 -0.001 0.000 0.292 552 F C 1.531 177.439 175.800 0.180 0.000 1.121 552 F CA 0.236 58.333 58.000 0.161 0.000 1.352 552 F CB 0.175 39.282 39.000 0.178 0.000 1.107 552 F HN 0.293 nan 8.300 nan 0.000 0.597 553 D N 1.393 121.503 120.400 -0.484 0.000 2.097 553 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 553 D C 2.023 178.388 176.300 0.108 0.000 0.984 553 D CA 1.040 54.908 54.000 -0.219 0.000 0.826 553 D CB -0.025 40.548 40.800 -0.377 0.000 0.973 553 D HN 0.171 nan 8.370 nan 0.000 0.460 554 R N 0.268 120.790 120.500 0.037 0.000 2.096 554 R HA -0.091 4.248 4.340 -0.000 0.000 0.235 554 R C 2.166 178.710 176.300 0.408 0.000 1.127 554 R CA 0.770 56.948 56.100 0.131 0.000 0.968 554 R CB -1.287 28.952 30.300 -0.101 0.000 0.861 554 R HN 0.556 nan 8.270 nan 0.000 0.440 555 H N 0.488 119.733 119.070 0.290 0.000 2.293 555 H HA 0.000 4.556 4.556 0.000 0.000 0.300 555 H C 2.120 177.639 175.328 0.319 0.000 1.082 555 H CA 1.321 57.553 56.048 0.307 0.000 1.308 555 H CB 0.121 30.008 29.762 0.209 0.000 1.375 555 H HN 0.039 nan 8.280 nan 0.000 0.495 556 L N -0.010 121.412 121.223 0.333 0.000 2.079 556 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 556 L C 2.556 179.674 176.870 0.414 0.000 1.081 556 L CA 1.280 56.302 54.840 0.303 0.000 0.752 556 L CB -0.571 41.659 42.059 0.285 0.000 0.896 556 L HN 0.405 nan 8.230 nan 0.000 0.433 557 Y N 0.873 121.371 120.300 0.331 0.000 2.200 557 Y HA -0.216 4.333 4.550 -0.001 0.000 0.290 557 Y C 2.457 178.511 175.900 0.257 0.000 1.137 557 Y CA 1.067 59.339 58.100 0.286 0.000 1.163 557 Y CB -0.386 38.269 38.460 0.324 0.000 0.988 557 Y HN 0.077 nan 8.280 nan 0.000 0.518 558 A N 0.421 123.312 122.820 0.119 0.000 1.933 558 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 558 A C 2.316 179.966 177.584 0.109 0.000 1.175 558 A CA 1.741 53.816 52.037 0.064 0.000 0.628 558 A CB -1.081 18.169 19.000 0.417 0.000 0.814 558 A HN 0.556 nan 8.150 nan 0.000 0.444 559 L N -1.278 120.059 121.223 0.190 0.000 2.056 559 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 559 L C 2.782 179.705 176.870 0.088 0.000 1.078 559 L CA 1.608 56.571 54.840 0.204 0.000 0.749 559 L CB -0.496 41.769 42.059 0.343 0.000 0.901 559 L HN 0.445 nan 8.230 nan 0.000 0.433 560 R N -0.459 119.979 120.500 -0.103 0.000 2.073 560 R HA -0.251 4.088 4.340 -0.000 0.000 0.234 560 R C 2.483 178.634 176.300 -0.247 0.000 1.134 560 R CA 1.893 57.716 56.100 -0.462 0.000 0.952 560 R CB -0.481 29.292 30.300 -0.877 0.000 0.850 560 R HN 0.273 nan 8.270 nan 0.000 0.433 561 Y N 0.766 120.840 120.300 -0.377 0.000 2.181 561 Y HA -0.255 4.295 4.550 0.000 0.000 0.288 561 Y C 1.992 177.800 175.900 -0.153 0.000 1.146 561 Y CA 1.668 59.578 58.100 -0.318 0.000 1.164 561 Y CB -0.228 37.925 38.460 -0.512 0.000 0.982 561 Y HN 0.161 nan 8.280 nan 0.000 0.515 562 L N 0.613 121.886 121.223 0.085 0.000 2.046 562 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 562 L C 2.459 179.301 176.870 -0.046 0.000 1.077 562 L CA 2.091 56.972 54.840 0.068 0.000 0.747 562 L CB -1.420 40.718 42.059 0.132 0.000 0.896 562 L HN 0.270 nan 8.230 nan 0.000 0.432 563 A N -1.530 121.258 122.820 -0.053 0.000 1.883 563 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 563 A C 2.265 179.783 177.584 -0.110 0.000 1.186 563 A CA 2.462 54.459 52.037 -0.067 0.000 0.624 563 A CB -1.246 17.736 19.000 -0.029 0.000 0.822 563 A HN 0.518 nan 8.150 nan 0.000 0.444 564 T N 0.147 114.603 114.554 -0.163 0.000 2.821 564 T HA 0.057 4.407 4.350 -0.000 0.000 0.267 564 T C 2.193 176.768 174.700 -0.210 0.000 1.046 564 T CA 1.372 63.360 62.100 -0.186 0.000 1.139 564 T CB -0.405 68.329 68.868 -0.223 0.000 0.871 564 T HN 0.594 nan 8.240 nan 0.000 0.454 565 A N 1.756 124.408 122.820 -0.280 0.000 1.972 565 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 565 A C 2.203 179.715 177.584 -0.120 0.000 1.169 565 A CA 1.012 52.907 52.037 -0.237 0.000 0.635 565 A CB -0.232 18.623 19.000 -0.241 0.000 0.810 565 A HN 0.198 nan 8.150 nan 0.000 0.446 566 R N -1.084 119.352 120.500 -0.106 0.000 2.310 566 R HA 0.144 4.484 4.340 -0.000 0.000 0.202 566 R C 1.131 177.384 176.300 -0.079 0.000 0.933 566 R CA 0.664 56.710 56.100 -0.089 0.000 1.054 566 R CB -0.614 29.611 30.300 -0.125 0.000 0.985 566 R HN 0.808 nan 8.270 nan 0.000 0.489 567 G N 1.493 110.244 108.800 -0.082 0.000 2.160 567 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 567 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 567 G C 0.069 174.935 174.900 -0.056 0.000 1.022 567 G CA -0.008 45.053 45.100 -0.065 0.000 0.741 567 G HN 0.209 nan 8.290 nan 0.000 0.508 568 L N -0.287 120.900 121.223 -0.061 0.000 2.399 568 L HA 0.376 4.715 4.340 -0.000 0.000 0.266 568 L C 0.761 177.612 176.870 -0.032 0.000 1.114 568 L CA -1.193 53.621 54.840 -0.044 0.000 0.804 568 L CB 0.497 42.530 42.059 -0.044 0.000 1.146 568 L HN 0.015 nan 8.230 nan 0.000 0.451 569 N N 1.431 120.121 118.700 -0.017 0.000 2.412 569 N HA 0.053 4.793 4.740 -0.000 0.000 0.254 569 N C -0.375 175.142 175.510 0.011 0.000 1.232 569 N CA -0.256 52.792 53.050 -0.004 0.000 0.880 569 N CB 0.267 38.757 38.487 0.004 0.000 1.076 569 N HN 0.293 nan 8.380 nan 0.000 0.458 570 L N 4.621 125.851 121.223 0.012 0.000 2.584 570 L HA 0.139 4.478 4.340 -0.000 0.000 0.272 570 L C -1.940 174.994 176.870 0.107 0.000 1.195 570 L CA -0.922 53.941 54.840 0.039 0.000 0.920 570 L CB -0.218 41.856 42.059 0.024 0.000 1.173 570 L HN 0.553 nan 8.230 nan 0.000 0.489 571 P HA 0.019 nan 4.420 nan 0.000 0.267 571 P C 0.314 177.686 177.300 0.120 0.000 1.200 571 P CA -0.023 63.206 63.100 0.214 0.000 0.772 571 P CB 0.465 32.404 31.700 0.398 0.000 0.855 572 E N 1.014 121.243 120.200 0.049 0.000 2.171 572 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 572 E C 1.664 178.195 176.600 -0.114 0.000 0.997 572 E CA 0.753 57.147 56.400 -0.010 0.000 0.810 572 E CB -0.362 29.337 29.700 -0.001 0.000 0.738 572 E HN 0.321 nan 8.360 nan 0.000 0.467 573 L N 0.205 121.261 121.223 -0.277 0.000 2.051 573 L HA -0.249 4.090 4.340 -0.000 0.000 0.214 573 L C 1.740 178.231 176.870 -0.633 0.000 1.076 573 L CA 1.769 56.254 54.840 -0.592 0.000 0.758 573 L CB -0.294 41.010 42.059 -1.259 0.000 0.890 573 L HN 0.145 nan 8.230 nan 0.000 0.433 574 Y N -1.752 118.314 120.300 -0.390 0.000 2.523 574 Y HA 0.110 4.659 4.550 -0.002 0.000 0.279 574 Y C 1.940 177.757 175.900 -0.137 0.000 1.139 574 Y CA 0.230 58.028 58.100 -0.503 0.000 1.296 574 Y CB -0.208 37.953 38.460 -0.498 0.000 1.045 574 Y HN 0.112 nan 8.280 nan 0.000 0.538 575 L N -0.611 120.638 121.223 0.043 0.000 2.509 575 L HA 0.026 4.365 4.340 -0.000 0.000 0.222 575 L C 0.451 177.362 176.870 0.067 0.000 1.123 575 L CA 0.030 54.911 54.840 0.068 0.000 0.856 575 L CB -0.065 42.020 42.059 0.044 0.000 0.985 575 L HN 0.011 nan 8.230 nan 0.000 0.456 576 D N 1.134 121.565 120.400 0.053 0.000 2.487 576 D HA -0.022 4.617 4.640 -0.000 0.000 0.243 576 D C -1.534 174.836 176.300 0.117 0.000 1.154 576 D CA -1.465 52.575 54.000 0.066 0.000 0.876 576 D CB 1.438 42.273 40.800 0.058 0.000 1.161 576 D HN -0.107 nan 8.370 nan 0.000 0.478 577 P HA -0.138 nan 4.420 nan 0.000 0.217 577 P C 0.866 178.219 177.300 0.089 0.000 1.148 577 P CA 1.646 64.789 63.100 0.072 0.000 0.828 577 P CB 0.131 31.852 31.700 0.035 0.000 0.783 578 A N -1.645 121.231 122.820 0.092 0.000 1.972 578 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 578 A C 2.224 179.912 177.584 0.172 0.000 1.169 578 A CA 1.316 53.408 52.037 0.090 0.000 0.635 578 A CB -1.772 17.254 19.000 0.043 0.000 0.810 578 A HN 0.178 nan 8.150 nan 0.000 0.446 579 Y N 0.318 120.705 120.300 0.145 0.000 2.200 579 Y HA -0.197 4.353 4.550 -0.000 0.000 0.290 579 Y C 2.566 178.581 175.900 0.191 0.000 1.137 579 Y CA 2.070 60.302 58.100 0.219 0.000 1.163 579 Y CB -0.103 38.451 38.460 0.156 0.000 0.988 579 Y HN 0.297 nan 8.280 nan 0.000 0.518 580 Q N 0.742 120.673 119.800 0.218 0.000 2.084 580 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 580 Q C 1.140 177.177 176.000 0.062 0.000 0.978 580 Q CA 1.303 57.183 55.803 0.128 0.000 0.844 580 Q CB -0.609 28.207 28.738 0.129 0.000 0.898 580 Q HN 0.621 nan 8.270 nan 0.000 0.426 584 H N 1.388 120.447 119.070 -0.017 0.000 2.643 584 H HA 0.321 4.877 4.556 -0.000 0.000 0.259 584 H C -0.902 174.407 175.328 -0.032 0.000 1.298 584 H CA -0.276 55.756 56.048 -0.027 0.000 1.301 584 H CB 0.042 29.787 29.762 -0.029 0.000 1.422 584 H HN 0.104 nan 8.280 nan 0.000 0.521 585 N N 6.441 125.064 118.700 -0.128 0.000 2.555 585 N HA 0.042 4.781 4.740 -0.000 0.000 0.244 585 N C 1.556 176.991 175.510 -0.125 0.000 1.114 585 N CA -0.076 52.939 53.050 -0.058 0.000 0.963 585 N CB 0.909 39.395 38.487 -0.002 0.000 1.276 585 N HN 0.649 nan 8.380 nan 0.000 0.510 586 I N 0.726 121.228 120.570 -0.115 0.000 2.286 586 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 586 I C 0.677 176.689 176.117 -0.174 0.000 1.115 586 I CA 1.097 62.291 61.300 -0.176 0.000 1.392 586 I CB 0.184 38.057 38.000 -0.211 0.000 1.065 586 I HN 0.266 nan 8.210 nan 0.000 0.418 587 L N 0.871 122.010 121.223 -0.140 0.000 2.297 587 L HA 0.266 4.606 4.340 -0.000 0.000 0.277 587 L C -0.013 176.884 176.870 0.046 0.000 1.040 587 L CA -0.132 54.675 54.840 -0.055 0.000 0.867 587 L CB 1.043 43.065 42.059 -0.062 0.000 1.244 587 L HN -0.027 nan 8.230 nan 0.000 0.433 588 S N 2.134 117.880 115.700 0.076 0.000 2.437 588 S HA 0.688 5.158 4.470 -0.000 0.000 0.305 588 S C -0.141 174.648 174.600 0.316 0.000 1.109 588 S CA -0.450 57.859 58.200 0.181 0.000 1.099 588 S CB 1.046 64.328 63.200 0.137 0.000 1.004 588 S HN 0.641 nan 8.310 nan 0.000 0.475 589 T N 1.198 115.956 114.554 0.339 0.000 2.907 589 T HA 0.808 5.157 4.350 -0.000 0.000 0.292 589 T C -0.563 174.344 174.700 0.344 0.000 1.043 589 T CA -0.736 61.607 62.100 0.405 0.000 1.003 589 T CB 1.734 70.814 68.868 0.353 0.000 1.084 589 T HN 0.519 nan 8.240 nan 0.000 0.483 590 S N 0.216 116.131 115.700 0.359 0.000 2.537 590 S HA 0.703 5.173 4.470 -0.000 0.000 0.271 590 S C -1.202 173.280 174.600 -0.197 0.000 1.148 590 S CA -0.502 57.714 58.200 0.027 0.000 0.868 590 S CB 1.958 64.997 63.200 -0.270 0.000 1.115 590 S HN 1.182 nan 8.310 nan 0.000 0.461 591 T N 3.030 117.354 114.554 -0.384 0.000 2.883 591 T HA 0.796 5.146 4.350 -0.000 0.000 0.296 591 T C -1.865 172.620 174.700 -0.358 0.000 1.117 591 T CA -0.485 61.251 62.100 -0.606 0.000 1.006 591 T CB 0.959 69.195 68.868 -1.053 0.000 1.191 591 T HN 0.572 nan 8.240 nan 0.000 0.508 592 L N 3.049 124.070 121.223 -0.338 0.000 2.455 592 L HA 0.571 4.911 4.340 -0.000 0.000 0.264 592 L C -0.983 175.745 176.870 -0.236 0.000 0.968 592 L CA -1.103 53.584 54.840 -0.255 0.000 0.827 592 L CB 2.329 44.233 42.059 -0.259 0.000 1.317 592 L HN 0.562 nan 8.230 nan 0.000 0.407 593 N N 1.695 120.293 118.700 -0.170 0.000 2.564 593 N HA 0.524 5.264 4.740 -0.000 0.000 0.248 593 N C -1.525 173.946 175.510 -0.066 0.000 0.986 593 N CA -0.009 52.962 53.050 -0.132 0.000 0.921 593 N CB 1.546 39.973 38.487 -0.100 0.000 1.136 593 N HN 0.561 nan 8.380 nan 0.000 0.509 594 S N 3.377 119.050 115.700 -0.044 0.000 2.543 594 S HA 0.452 4.922 4.470 -0.000 0.000 0.273 594 S C -2.265 172.355 174.600 0.034 0.000 1.152 594 S CA -0.958 57.247 58.200 0.008 0.000 0.910 594 S CB 1.254 64.456 63.200 0.004 0.000 1.105 594 S HN 0.401 nan 8.310 nan 0.000 0.465 595 P HA 0.128 nan 4.420 nan 0.000 0.230 595 P C 0.990 178.227 177.300 -0.105 0.000 1.158 595 P CA 0.703 63.831 63.100 0.045 0.000 0.769 595 P CB -0.005 31.754 31.700 0.099 0.000 0.807 596 A N -0.223 122.496 122.820 -0.168 0.000 2.072 596 A HA 0.121 4.441 4.320 -0.000 0.000 0.216 596 A C 1.143 178.628 177.584 -0.166 0.000 1.156 596 A CA 0.417 52.103 52.037 -0.585 0.000 0.701 596 A CB -0.426 18.441 19.000 -0.221 0.000 0.816 596 A HN 0.085 nan 8.150 nan 0.000 0.458 597 V N 0.498 120.445 119.914 0.056 0.000 2.383 597 V HA 0.238 4.358 4.120 -0.000 0.000 0.275 597 V C 1.424 177.571 176.094 0.087 0.000 1.036 597 V CA 0.408 62.763 62.300 0.091 0.000 0.889 597 V CB 1.202 32.968 31.823 -0.095 0.000 0.985 597 V HN 0.458 nan 8.190 nan 0.000 0.459 598 S N 5.073 120.853 115.700 0.133 0.000 2.348 598 S HA 0.222 4.692 4.470 -0.000 0.000 0.219 598 S C 0.413 175.117 174.600 0.173 0.000 1.033 598 S CA 1.187 59.485 58.200 0.162 0.000 0.974 598 S CB -0.033 63.276 63.200 0.182 0.000 0.868 598 S HN 0.667 nan 8.310 nan 0.000 0.459 599 L N -3.324 117.981 121.223 0.138 0.000 2.838 599 L HA 0.878 5.218 4.340 -0.000 0.000 0.266 599 L C -0.450 176.390 176.870 -0.050 0.000 1.040 599 L CA -1.028 53.862 54.840 0.084 0.000 0.906 599 L CB 1.224 43.374 42.059 0.151 0.000 1.501 599 L HN 0.111 nan 8.230 nan 0.000 0.407 600 G N -1.446 107.209 108.800 -0.242 0.000 2.818 600 G HA2 0.883 4.842 3.960 -0.000 0.000 0.286 600 G HA3 0.883 4.842 3.960 -0.000 0.000 0.286 600 G C -1.042 173.367 174.900 -0.818 0.000 1.364 600 G CA -0.634 44.060 45.100 -0.677 0.000 0.938 600 G HN 1.189 nan 8.290 nan 0.000 0.490 601 G N -1.598 106.507 108.800 -1.159 0.000 2.579 601 G HA2 0.745 4.705 3.960 -0.000 0.000 0.292 601 G HA3 0.745 4.705 3.960 -0.000 0.000 0.292 601 G C -1.388 173.411 174.900 -0.169 0.000 1.484 601 G CA -0.377 44.393 45.100 -0.550 0.000 0.813 601 G HN 1.508 nan 8.290 nan 0.000 0.515 602 F N -0.960 118.857 119.950 -0.223 0.000 2.678 602 F HA 0.857 5.384 4.527 -0.001 0.000 0.308 602 F C 0.013 175.711 175.800 -0.170 0.000 1.118 602 F CA -1.281 56.604 58.000 -0.192 0.000 0.959 602 F CB 0.992 39.836 39.000 -0.261 0.000 1.305 602 F HN 0.926 nan 8.300 nan 0.000 0.443 603 A N 1.513 124.276 122.820 -0.095 0.000 2.287 603 A HA 0.801 5.121 4.320 -0.000 0.000 0.273 603 A C -2.676 174.778 177.584 -0.217 0.000 1.091 603 A CA -1.792 50.096 52.037 -0.248 0.000 0.817 603 A CB -0.318 18.564 19.000 -0.197 0.000 1.069 603 A HN 0.585 nan 8.150 nan 0.000 0.492 604 P HA 0.106 nan 4.420 nan 0.000 0.268 604 P C 0.886 178.142 177.300 -0.073 0.000 1.208 604 P CA 0.146 63.138 63.100 -0.181 0.000 0.777 604 P CB 0.403 31.974 31.700 -0.215 0.000 0.875 605 V N 0.221 120.076 119.914 -0.097 0.000 3.608 605 V HA 0.125 4.244 4.120 -0.000 0.000 0.269 605 V C 0.565 176.539 176.094 -0.200 0.000 1.245 605 V CA 0.577 62.778 62.300 -0.166 0.000 1.138 605 V CB -0.617 31.092 31.823 -0.190 0.000 0.841 605 V HN 0.353 nan 8.190 nan 0.000 0.451 606 V N -5.646 114.153 119.914 -0.191 0.000 3.078 606 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 606 V C -2.187 173.847 176.094 -0.098 0.000 1.138 606 V CA -1.823 60.324 62.300 -0.254 0.000 1.007 606 V CB 1.248 32.685 31.823 -0.643 0.000 1.045 606 V HN -0.015 nan 8.190 nan 0.000 0.432 607 P HA -0.061 nan 4.420 nan 0.000 0.218 607 P C 0.420 177.715 177.300 -0.009 0.000 1.149 607 P CA 1.687 64.724 63.100 -0.104 0.000 0.817 607 P CB -0.004 31.607 31.700 -0.149 0.000 0.785 608 D N -1.172 119.202 120.400 -0.044 0.000 2.587 608 D HA 0.181 4.821 4.640 -0.000 0.000 0.233 608 D C 0.669 176.832 176.300 -0.227 0.000 1.213 608 D CA -0.359 53.575 54.000 -0.110 0.000 0.827 608 D CB -0.374 40.386 40.800 -0.066 0.000 1.006 608 D HN -0.017 nan 8.370 nan 0.000 0.490 609 G N -0.491 108.169 108.800 -0.233 0.000 2.597 609 G HA2 0.551 4.510 3.960 -0.000 0.000 0.317 609 G HA3 0.551 4.510 3.960 -0.000 0.000 0.317 609 G C -1.227 173.391 174.900 -0.471 0.000 1.230 609 G CA -0.726 44.180 45.100 -0.323 0.000 0.996 609 G HN 0.034 nan 8.290 nan 0.000 0.490 610 F N -0.589 119.231 119.950 -0.217 0.000 2.480 610 F HA 0.615 5.142 4.527 0.000 0.000 0.329 610 F C 0.772 176.382 175.800 -0.317 0.000 1.091 610 F CA -1.037 56.776 58.000 -0.311 0.000 0.972 610 F CB 2.463 41.190 39.000 -0.455 0.000 1.150 610 F HN 0.530 nan 8.300 nan 0.000 0.467 611 G N 3.674 112.334 108.800 -0.232 0.000 2.468 611 G HA2 0.590 4.550 3.960 -0.000 0.000 0.320 611 G HA3 0.590 4.550 3.960 -0.000 0.000 0.320 611 G C -0.869 173.565 174.900 -0.778 0.000 1.137 611 G CA -0.381 44.334 45.100 -0.642 0.000 0.984 611 G HN 0.565 nan 8.290 nan 0.000 0.462 612 I N 2.754 123.047 120.570 -0.462 0.000 2.337 612 I HA 0.376 4.546 4.170 -0.000 0.000 0.285 612 I C 0.621 176.742 176.117 0.006 0.000 1.041 612 I CA -0.530 60.591 61.300 -0.298 0.000 1.199 612 I CB 1.615 39.347 38.000 -0.446 0.000 1.370 612 I HN 0.469 nan 8.210 nan 0.000 0.470 613 A N 7.585 130.366 122.820 -0.065 0.000 2.260 613 A HA 0.688 5.007 4.320 -0.000 0.000 0.308 613 A C -0.851 176.824 177.584 0.151 0.000 1.254 613 A CA -0.223 51.893 52.037 0.132 0.000 0.874 613 A CB 0.209 19.205 19.000 -0.006 0.000 1.153 613 A HN 0.711 nan 8.150 nan 0.000 0.527 614 Y N -0.512 119.813 120.300 0.042 0.000 2.609 614 Y HA 0.837 5.387 4.550 -0.001 0.000 0.342 614 Y C -0.434 175.458 175.900 -0.013 0.000 1.058 614 Y CA -1.089 57.052 58.100 0.068 0.000 1.055 614 Y CB 1.490 40.096 38.460 0.243 0.000 1.292 614 Y HN 0.987 nan 8.280 nan 0.000 0.476 615 A N 1.401 124.201 122.820 -0.035 0.000 2.488 615 A HA 0.630 4.950 4.320 -0.000 0.000 0.295 615 A C -2.068 175.306 177.584 -0.350 0.000 1.045 615 A CA -0.760 51.075 52.037 -0.336 0.000 0.703 615 A CB 1.275 19.966 19.000 -0.514 0.000 1.271 615 A HN 0.773 nan 8.150 nan 0.000 0.400 616 V N 4.041 123.775 119.914 -0.301 0.000 2.334 616 V HA 0.308 4.428 4.120 -0.000 0.000 0.267 616 V C 0.174 176.010 176.094 -0.430 0.000 1.040 616 V CA -0.138 62.021 62.300 -0.234 0.000 0.866 616 V CB -0.097 31.708 31.823 -0.030 0.000 1.019 616 V HN 0.961 nan 8.190 nan 0.000 0.468 617 H N 1.933 120.759 119.070 -0.406 0.000 2.490 617 H HA 0.278 4.834 4.556 -0.000 0.000 0.354 617 H C 0.773 175.999 175.328 -0.170 0.000 1.365 617 H CA -0.528 55.269 56.048 -0.418 0.000 1.413 617 H CB 0.738 29.929 29.762 -0.952 0.000 1.631 617 H HN 0.476 nan 8.280 nan 0.000 0.607 618 D N -0.155 120.295 120.400 0.083 0.000 2.149 618 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 618 D C 0.452 176.856 176.300 0.173 0.000 0.990 618 D CA 1.539 55.611 54.000 0.120 0.000 0.839 618 D CB 0.024 40.901 40.800 0.129 0.000 0.948 618 D HN 0.484 nan 8.370 nan 0.000 0.460 619 D N -1.758 118.780 120.400 0.231 0.000 2.500 619 D HA 0.104 4.744 4.640 -0.000 0.000 0.217 619 D C -0.080 176.439 176.300 0.365 0.000 1.159 619 D CA -0.210 53.958 54.000 0.279 0.000 0.828 619 D CB 0.898 41.860 40.800 0.270 0.000 1.039 619 D HN 0.303 nan 8.370 nan 0.000 0.512 620 W N 0.039 121.425 121.300 0.143 0.000 2.989 620 W HA 0.506 5.166 4.660 -0.000 0.000 0.344 620 W C -2.139 174.544 176.519 0.274 0.000 1.233 620 W CA -0.921 56.501 57.345 0.130 0.000 1.187 620 W CB 0.103 29.587 29.460 0.040 0.000 1.443 620 W HN -0.397 nan 8.180 nan 0.000 0.573 621 I N 1.776 122.609 120.570 0.437 0.000 2.499 621 I HA 0.606 4.775 4.170 -0.000 0.000 0.288 621 I C 0.355 176.714 176.117 0.404 0.000 1.048 621 I CA -0.702 60.745 61.300 0.245 0.000 1.062 621 I CB 2.162 40.310 38.000 0.248 0.000 1.238 621 I HN 0.593 nan 8.210 nan 0.000 0.426 622 G N 3.872 112.824 108.800 0.254 0.000 2.416 622 G HA2 0.590 4.550 3.960 -0.000 0.000 0.329 622 G HA3 0.590 4.550 3.960 -0.000 0.000 0.329 622 G C -1.632 173.435 174.900 0.279 0.000 1.173 622 G CA -0.405 44.937 45.100 0.403 0.000 0.929 622 G HN 0.649 nan 8.290 nan 0.000 0.475 623 C N 1.936 121.380 119.300 0.241 0.000 2.551 623 C HA 0.686 5.145 4.460 -0.000 0.000 0.332 623 C C -0.748 174.298 174.990 0.094 0.000 1.139 623 C CA -1.038 58.086 59.018 0.176 0.000 1.328 623 C CB 0.981 28.819 27.740 0.165 0.000 1.903 623 C HN 0.726 nan 8.230 nan 0.000 0.459 624 N N 3.708 122.429 118.700 0.035 0.000 2.524 624 N HA 0.631 5.371 4.740 -0.000 0.000 0.261 624 N C -1.232 174.204 175.510 -0.123 0.000 0.998 624 N CA -0.138 52.899 53.050 -0.021 0.000 0.915 624 N CB 1.515 39.996 38.487 -0.010 0.000 1.187 624 N HN 0.463 nan 8.380 nan 0.000 0.507 625 V N 2.378 122.220 119.914 -0.119 0.000 2.417 625 V HA 0.546 4.666 4.120 -0.000 0.000 0.291 625 V C 0.117 176.116 176.094 -0.157 0.000 1.024 625 V CA -0.791 61.404 62.300 -0.175 0.000 0.861 625 V CB 1.314 33.063 31.823 -0.124 0.000 0.985 625 V HN 0.767 nan 8.190 nan 0.000 0.436 626 S N 3.452 119.011 115.700 -0.234 0.000 2.651 626 S HA 0.937 5.406 4.470 -0.000 0.000 0.291 626 S C -0.230 174.291 174.600 -0.132 0.000 1.141 626 S CA -0.343 57.724 58.200 -0.222 0.000 1.027 626 S CB 1.917 64.904 63.200 -0.354 0.000 1.043 626 S HN 1.195 nan 8.310 nan 0.000 0.530 627 S N 0.473 116.067 115.700 -0.177 0.000 2.588 627 S HA 0.683 5.153 4.470 -0.000 0.000 0.269 627 S C -1.658 172.763 174.600 -0.298 0.000 1.157 627 S CA -0.832 57.262 58.200 -0.176 0.000 0.824 627 S CB 0.252 63.508 63.200 0.093 0.000 1.126 627 S HN 0.696 nan 8.310 nan 0.000 0.464 628 Y N 0.943 121.191 120.300 -0.087 0.000 2.612 628 Y HA 0.533 5.083 4.550 -0.000 0.000 0.334 628 Y C 2.373 178.238 175.900 -0.057 0.000 1.227 628 Y CA -0.234 57.821 58.100 -0.077 0.000 1.356 628 Y CB 0.574 38.968 38.460 -0.109 0.000 1.534 628 Y HN 0.901 nan 8.280 nan 0.000 0.576 629 S N -1.103 114.685 115.700 0.147 0.000 2.419 629 S HA -0.143 4.327 4.470 -0.000 0.000 0.235 629 S C 1.850 176.474 174.600 0.039 0.000 1.019 629 S CA 1.214 59.454 58.200 0.067 0.000 0.982 629 S CB -1.117 62.104 63.200 0.035 0.000 0.789 629 S HN 0.878 nan 8.310 nan 0.000 0.490 630 G N 1.216 110.027 108.800 0.018 0.000 2.650 630 G HA2 0.152 4.112 3.960 -0.000 0.000 0.214 630 G HA3 0.152 4.112 3.960 -0.000 0.000 0.214 630 G C 0.613 175.480 174.900 -0.053 0.000 1.136 630 G CA -0.192 44.894 45.100 -0.023 0.000 0.789 630 G HN 0.296 nan 8.290 nan 0.000 0.536 631 R N -0.591 119.871 120.500 -0.064 0.000 2.854 631 R HA 0.311 4.651 4.340 -0.000 0.000 0.271 631 R C -1.546 174.847 176.300 0.155 0.000 0.994 631 R CA -0.938 55.123 56.100 -0.064 0.000 0.945 631 R CB 1.155 31.090 30.300 -0.609 0.000 1.194 631 R HN 0.033 nan 8.270 nan 0.000 0.476 632 N N 0.933 119.849 118.700 0.361 0.000 2.609 632 N HA 0.203 4.942 4.740 -0.000 0.000 0.234 632 N C 0.169 175.931 175.510 0.420 0.000 1.001 632 N CA -0.107 53.130 53.050 0.311 0.000 0.926 632 N CB 1.435 40.048 38.487 0.211 0.000 1.130 632 N HN 0.649 nan 8.380 nan 0.000 0.510 633 A N 3.927 126.968 122.820 0.368 0.000 2.014 633 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 633 A C 2.154 179.806 177.584 0.113 0.000 1.163 633 A CA 0.786 52.979 52.037 0.259 0.000 0.652 633 A CB -0.237 18.874 19.000 0.185 0.000 0.808 633 A HN 0.712 nan 8.150 nan 0.000 0.449 634 R N -0.204 120.352 120.500 0.093 0.000 2.080 634 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 634 R C 2.155 178.466 176.300 0.019 0.000 1.137 634 R CA 2.018 58.124 56.100 0.010 0.000 0.943 634 R CB -0.242 30.098 30.300 0.067 0.000 0.846 634 R HN 0.485 nan 8.270 nan 0.000 0.431 635 E N -0.061 120.218 120.200 0.132 0.000 2.072 635 E HA -0.190 4.159 4.350 -0.000 0.000 0.191 635 E C 1.654 178.304 176.600 0.084 0.000 0.985 635 E CA 1.289 57.776 56.400 0.145 0.000 0.801 635 E CB -0.454 29.289 29.700 0.072 0.000 0.750 635 E HN 0.363 nan 8.360 nan 0.000 0.452 636 F N 0.627 120.532 119.950 -0.075 0.000 2.095 636 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 636 F C 1.817 177.513 175.800 -0.173 0.000 1.104 636 F CA 1.558 59.449 58.000 -0.182 0.000 1.232 636 F CB -0.302 38.394 39.000 -0.508 0.000 0.987 636 F HN 0.063 nan 8.300 nan 0.000 0.475 637 L N -0.819 120.289 121.223 -0.190 0.000 2.083 637 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 637 L C 2.671 179.398 176.870 -0.240 0.000 1.083 637 L CA 1.130 55.812 54.840 -0.263 0.000 0.752 637 L CB -1.002 40.938 42.059 -0.199 0.000 0.899 637 L HN 0.188 nan 8.230 nan 0.000 0.433 638 H N -0.952 118.054 119.070 -0.107 0.000 2.352 638 H HA -0.160 4.395 4.556 -0.001 0.000 0.299 638 H C 2.463 177.711 175.328 -0.133 0.000 1.097 638 H CA 1.780 57.776 56.048 -0.086 0.000 1.311 638 H CB -0.470 29.260 29.762 -0.054 0.000 1.377 638 H HN 0.420 nan 8.280 nan 0.000 0.504 639 C N 0.160 119.416 119.300 -0.073 0.000 2.425 639 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 639 C C 3.044 177.888 174.990 -0.243 0.000 1.280 639 C CA 0.556 59.480 59.018 -0.156 0.000 1.744 639 C CB -0.854 26.774 27.740 -0.188 0.000 1.989 639 C HN 0.286 nan 8.230 nan 0.000 0.491 640 V N 0.694 120.372 119.914 -0.393 0.000 2.343 640 V HA -0.245 3.874 4.120 -0.000 0.000 0.247 640 V C 2.542 178.497 176.094 -0.232 0.000 1.051 640 V CA 2.284 64.374 62.300 -0.351 0.000 1.036 640 V CB -0.824 30.777 31.823 -0.371 0.000 0.654 640 V HN 0.533 nan 8.190 nan 0.000 0.451 641 Q N 0.957 120.672 119.800 -0.141 0.000 2.061 641 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 641 Q C 2.127 178.105 176.000 -0.036 0.000 0.984 641 Q CA 2.337 58.116 55.803 -0.041 0.000 0.846 641 Q CB -0.397 28.379 28.738 0.062 0.000 0.902 641 Q HN 0.503 nan 8.270 nan 0.000 0.421 642 K N -0.404 119.979 120.400 -0.029 0.000 2.057 642 K HA -0.070 4.249 4.320 -0.000 0.000 0.207 642 K C 2.008 178.586 176.600 -0.037 0.000 1.049 642 K CA 1.818 58.102 56.287 -0.006 0.000 0.931 642 K CB -0.948 31.549 32.500 -0.004 0.000 0.714 642 K HN 0.403 nan 8.250 nan 0.000 0.440 643 C N 0.406 119.642 119.300 -0.107 0.000 2.429 643 C HA -0.015 4.445 4.460 -0.000 0.000 0.277 643 C C 2.560 177.433 174.990 -0.196 0.000 1.262 643 C CA 0.638 59.565 59.018 -0.152 0.000 1.733 643 C CB -1.001 26.618 27.740 -0.202 0.000 2.010 643 C HN 0.473 nan 8.230 nan 0.000 0.483 644 L N 0.511 121.552 121.223 -0.304 0.000 2.046 644 L HA -0.173 4.166 4.340 -0.000 0.000 0.208 644 L C 2.633 179.403 176.870 -0.167 0.000 1.077 644 L CA 1.576 56.129 54.840 -0.478 0.000 0.747 644 L CB -0.724 40.571 42.059 -1.274 0.000 0.896 644 L HN 0.444 nan 8.230 nan 0.000 0.432 645 E N 0.019 120.217 120.200 -0.003 0.000 2.058 645 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 645 E C 1.761 178.488 176.600 0.211 0.000 0.997 645 E CA 1.503 58.030 56.400 0.213 0.000 0.801 645 E CB -0.067 29.737 29.700 0.174 0.000 0.746 645 E HN 0.461 nan 8.360 nan 0.000 0.450 646 D N 0.499 120.992 120.400 0.155 0.000 2.117 646 D HA -0.108 4.531 4.640 -0.000 0.000 0.198 646 D C 1.991 178.479 176.300 0.313 0.000 0.982 646 D CA 0.748 54.892 54.000 0.240 0.000 0.828 646 D CB -0.186 40.778 40.800 0.274 0.000 0.967 646 D HN 0.157 nan 8.370 nan 0.000 0.464 647 I N 0.056 120.706 120.570 0.133 0.000 2.163 647 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 647 I C 2.075 178.323 176.117 0.218 0.000 1.085 647 I CA 0.950 62.295 61.300 0.075 0.000 1.347 647 I CB -0.178 37.765 38.000 -0.095 0.000 1.044 647 I HN -0.096 nan 8.210 nan 0.000 0.408 648 F N 0.941 120.968 119.950 0.127 0.000 2.186 648 F HA -0.206 4.320 4.527 -0.001 0.000 0.299 648 F C 2.241 178.139 175.800 0.163 0.000 1.090 648 F CA 1.360 59.470 58.000 0.184 0.000 1.307 648 F CB -0.643 38.449 39.000 0.154 0.000 1.019 648 F HN 0.088 nan 8.300 nan 0.000 0.489 649 D N 0.026 120.617 120.400 0.317 0.000 2.104 649 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 649 D C 2.363 178.779 176.300 0.193 0.000 0.994 649 D CA 1.528 55.657 54.000 0.214 0.000 0.830 649 D CB -0.615 40.292 40.800 0.178 0.000 0.959 649 D HN 0.215 nan 8.370 nan 0.000 0.452 650 A N 0.408 123.365 122.820 0.227 0.000 1.902 650 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 650 A C 2.368 180.044 177.584 0.153 0.000 1.181 650 A CA 0.870 53.017 52.037 0.184 0.000 0.623 650 A CB -0.749 18.421 19.000 0.282 0.000 0.818 650 A HN 0.231 nan 8.150 nan 0.000 0.443 651 L N -0.798 120.526 121.223 0.169 0.000 2.201 651 L HA -0.144 4.195 4.340 -0.000 0.000 0.212 651 L C 2.172 179.167 176.870 0.208 0.000 1.105 651 L CA 1.204 56.127 54.840 0.139 0.000 0.775 651 L CB -0.392 41.733 42.059 0.110 0.000 0.913 651 L HN 0.453 nan 8.230 nan 0.000 0.440 652 E N -0.311 120.039 120.200 0.250 0.000 2.502 652 E HA 0.017 4.367 4.350 -0.000 0.000 0.194 652 E C 1.328 178.008 176.600 0.133 0.000 1.062 652 E CA 0.460 56.991 56.400 0.218 0.000 0.867 652 E CB 0.200 30.009 29.700 0.183 0.000 0.888 652 E HN 0.523 nan 8.360 nan 0.000 0.510 653 G N 1.943 110.809 108.800 0.109 0.000 2.141 653 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.242 653 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.242 653 G C 0.017 174.954 174.900 0.062 0.000 0.982 653 G CA 0.056 45.199 45.100 0.073 0.000 0.662 653 G HN 0.149 nan 8.290 nan 0.000 0.527 654 K N 0.514 120.959 120.400 0.075 0.000 2.185 654 K HA 0.673 4.993 4.320 -0.000 0.000 0.271 654 K C 0.857 177.485 176.600 0.047 0.000 1.013 654 K CA -0.008 56.316 56.287 0.060 0.000 0.943 654 K CB 1.242 33.785 32.500 0.072 0.000 0.998 654 K HN 0.516 nan 8.250 nan 0.000 0.468 655 A N 2.757 125.595 122.820 0.031 0.000 2.462 655 A HA 0.089 4.408 4.320 -0.000 0.000 0.243 655 A C 0.142 177.741 177.584 0.025 0.000 1.076 655 A CA -0.338 51.709 52.037 0.015 0.000 0.773 655 A CB -0.072 18.934 19.000 0.010 0.000 1.010 655 A HN 0.862 nan 8.150 nan 0.000 0.493 656 I N 1.913 122.487 120.570 0.007 0.000 2.618 656 I HA 0.084 4.254 4.170 -0.000 0.000 0.284 656 I C 0.590 176.728 176.117 0.035 0.000 1.146 656 I CA 0.027 61.345 61.300 0.030 0.000 1.425 656 I CB 0.372 38.366 38.000 -0.010 0.000 1.383 656 I HN 0.711 nan 8.210 nan 0.000 0.562 657 K N 0.000 120.432 120.400 0.054 0.000 2.780 657 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 657 K CA 0.000 56.312 56.287 0.042 0.000 0.838 657 K CB 0.000 32.527 32.500 0.045 0.000 1.064 657 K HN 0.000 nan 8.250 nan 0.000 0.543