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 3a7b_1_A DATA FIRST_RESID 26 DATA SEQUENCE ESLScDASGV cDGRSRSFTS IPSGLTAAMK SLDLSFNKIT YIGHGDLRAC DATA SEQUENCE ANLQVLILKS SRINTIEGDA FYSLGSLEHL DLSDNHLSSL SSSWFGPLSS DATA SEQUENCE LKYLNLMGNP YQTLGVTSLF PNLTNLQTLR IGNVETFSEI RRIDFAGLTS DATA SEQUENCE LNELEIKALS LRNYQSQSLK SIRDIHHLTL HLSESAFLLE IFADILSSVR DATA SEQUENCE YLELRDTNLA RFQFSPLPVD EVSSPMKKLA FRGSVLTDES FNELLKLLRY DATA SEQUENCE ILELSEVEFD DCTLNGLGDF NPSESDVVSE LGKVETVTIR RLHIPQFYLF DATA SEQUENCE YDLSTVYSLL EKVKRITVEN SKVFLVPcSF SQHLKSLEFL DLSENLMVEE DATA SEQUENCE YLKNSAcKGA WPSLQTLVLS QNHLRSMQKT GEILLTLKNL TSLDISRNTF DATA SEQUENCE HPMPDScQWP EKMRFLNLSS TGIRVVKTcI PQTLEVLDVS NNNLDSFSLF DATA SEQUENCE LPRLQELYIS RNKLKTLPDA SLFPVLLVMK IASNQLKSVP DGIFDRLTSL DATA SEQUENCE QKIWLHTNPW DcScPRIDYL SRWLNKNSQK EQGSAKcSGS GKPVRSIIcP 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 26 E HA 0.000 nan 4.350 nan 0.000 0.291 26 E C 0.000 176.664 176.600 0.106 0.000 1.382 26 E CA 0.000 56.365 56.400 -0.058 0.000 0.976 26 E CB 0.000 29.694 29.700 -0.009 0.000 0.812 27 S N -0.469 115.305 115.700 0.123 0.000 2.607 27 S HA 0.636 5.108 4.470 0.004 0.000 0.273 27 S C -1.765 172.989 174.600 0.255 0.000 1.148 27 S CA -0.694 57.654 58.200 0.247 0.000 0.833 27 S CB 0.835 64.114 63.200 0.132 0.000 1.130 27 S HN 0.137 nan 8.310 nan 0.000 0.470 28 L N 2.757 124.118 121.223 0.229 0.000 2.367 28 L HA 0.500 4.842 4.340 0.004 0.000 0.275 28 L C 0.236 177.162 176.870 0.093 0.000 1.129 28 L CA 0.553 55.490 54.840 0.162 0.000 0.839 28 L CB 1.373 43.486 42.059 0.090 0.000 1.133 28 L HN 0.630 nan 8.230 nan 0.000 0.453 29 S N 4.528 120.275 115.700 0.079 0.000 2.488 29 S HA 0.356 4.828 4.470 0.004 0.000 0.310 29 S C -0.683 173.939 174.600 0.037 0.000 1.093 29 S CA -0.570 57.659 58.200 0.049 0.000 1.129 29 S CB 0.019 63.245 63.200 0.042 0.000 0.989 29 S HN 0.716 nan 8.310 nan 0.000 0.479 30 c N 5.575 124.192 118.600 0.028 0.000 2.351 30 c HA 0.674 5.246 4.570 0.004 0.000 0.326 30 c C 0.158 174.255 174.090 0.012 0.000 1.272 30 c CA -0.671 55.669 56.329 0.018 0.000 1.650 30 c CB 0.284 42.803 42.510 0.016 0.000 2.257 30 c HN 1.012 nan 8.230 nan 0.000 0.505 31 D N 3.295 123.699 120.400 0.007 0.000 2.478 31 D HA 0.359 5.002 4.640 0.004 0.000 0.274 31 D C 0.675 176.976 176.300 0.001 0.000 1.234 31 D CA -0.268 53.733 54.000 0.003 0.000 1.069 31 D CB 0.756 41.556 40.800 -0.000 0.000 1.113 31 D HN 0.496 nan 8.370 nan 0.000 0.571 32 A N -0.856 121.963 122.820 -0.001 0.000 2.251 32 A HA 0.127 4.449 4.320 0.004 0.000 0.209 32 A C 1.553 179.134 177.584 -0.005 0.000 1.187 32 A CA 0.133 52.168 52.037 -0.002 0.000 0.823 32 A CB -0.508 18.491 19.000 -0.003 0.000 0.846 32 A HN 0.381 nan 8.150 nan 0.000 0.486 33 S N -1.515 114.181 115.700 -0.006 0.000 2.517 33 S HA 0.363 4.836 4.470 0.004 0.000 0.214 33 S C 1.435 176.030 174.600 -0.009 0.000 0.991 33 S CA 0.642 58.836 58.200 -0.009 0.000 0.906 33 S CB 0.339 63.531 63.200 -0.013 0.000 0.789 33 S HN 1.507 nan 8.310 nan 0.000 0.513 34 G N 1.206 110.002 108.800 -0.006 0.000 2.157 34 G HA2 -0.225 3.738 3.960 0.004 0.000 0.239 34 G HA3 -0.225 3.738 3.960 0.004 0.000 0.239 34 G C 0.035 174.931 174.900 -0.007 0.000 0.982 34 G CA -0.111 44.986 45.100 -0.006 0.000 0.650 34 G HN 0.387 nan 8.290 nan 0.000 0.527 35 V N 1.447 121.356 119.914 -0.008 0.000 2.372 35 V HA 0.385 4.507 4.120 0.004 0.000 0.261 35 V C 0.878 176.972 176.094 0.000 0.000 1.055 35 V CA -0.326 61.968 62.300 -0.010 0.000 0.930 35 V CB 0.730 32.544 31.823 -0.015 0.000 1.031 35 V HN 0.440 nan 8.190 nan 0.000 0.479 36 c N 4.317 122.920 118.600 0.005 0.000 2.341 36 c HA 0.557 5.130 4.570 0.004 0.000 0.338 36 c C 0.150 174.258 174.090 0.030 0.000 1.257 36 c CA -0.661 55.679 56.329 0.018 0.000 1.883 36 c CB 0.997 43.517 42.510 0.017 0.000 2.334 36 c HN 0.897 nan 8.230 nan 0.000 0.524 37 D N 0.750 121.178 120.400 0.046 0.000 2.425 37 D HA 0.528 5.171 4.640 0.004 0.000 0.240 37 D C 0.419 176.781 176.300 0.103 0.000 1.080 37 D CA -0.209 53.829 54.000 0.063 0.000 0.836 37 D CB 1.048 41.878 40.800 0.049 0.000 1.125 37 D HN 0.744 nan 8.370 nan 0.000 0.525 38 G N 3.310 112.195 108.800 0.141 0.000 3.969 38 G HA2 0.094 4.056 3.960 0.004 0.000 0.291 38 G HA3 0.094 4.056 3.960 0.004 0.000 0.291 38 G C 0.408 175.432 174.900 0.207 0.000 1.016 38 G CA -0.477 44.772 45.100 0.248 0.000 0.819 38 G HN 0.343 nan 8.290 nan 0.000 0.493 39 R N 0.458 121.047 120.500 0.149 0.000 2.861 39 R HA 0.199 4.541 4.340 0.004 0.000 0.268 39 R C 0.980 177.346 176.300 0.109 0.000 1.027 39 R CA 0.434 56.641 56.100 0.179 0.000 1.163 39 R CB 0.160 30.596 30.300 0.226 0.000 1.060 39 R HN 0.118 nan 8.270 nan 0.000 0.483 40 S N 0.133 115.930 115.700 0.161 0.000 3.238 40 S HA -0.221 4.252 4.470 0.004 0.000 0.366 40 S C 0.475 175.029 174.600 -0.078 0.000 1.130 40 S CA 1.244 59.478 58.200 0.056 0.000 1.022 40 S CB -0.884 62.320 63.200 0.006 0.000 0.913 40 S HN 0.461 nan 8.310 nan 0.000 0.545 41 R N 0.789 121.164 120.500 -0.209 0.000 2.743 41 R HA 0.492 4.834 4.340 0.004 0.000 0.167 41 R C 1.126 177.200 176.300 -0.376 0.000 0.873 41 R CA 0.059 55.894 56.100 -0.442 0.000 1.366 41 R CB 0.046 29.703 30.300 -1.072 0.000 0.940 41 R HN 0.075 nan 8.270 nan 0.000 0.545 42 S N -0.373 115.032 115.700 -0.492 0.000 2.740 42 S HA 0.367 4.840 4.470 0.004 0.000 0.244 42 S C -0.976 173.576 174.600 -0.079 0.000 1.101 42 S CA -0.483 57.595 58.200 -0.202 0.000 1.123 42 S CB -0.114 63.020 63.200 -0.111 0.000 1.012 42 S HN 0.267 nan 8.310 nan 0.000 0.491 43 F N 2.188 122.151 119.950 0.023 0.000 2.578 43 F HA 0.051 4.580 4.527 0.004 0.000 0.376 43 F C 1.999 177.808 175.800 0.016 0.000 1.085 43 F CA -0.021 57.989 58.000 0.017 0.000 1.260 43 F CB 0.679 39.686 39.000 0.013 0.000 1.095 43 F HN 0.215 nan 8.300 nan 0.000 0.573 44 T N -2.026 112.666 114.554 0.230 0.000 3.069 44 T HA 0.208 4.560 4.350 0.004 0.000 0.252 44 T C 0.135 174.898 174.700 0.104 0.000 1.053 44 T CA 0.213 62.392 62.100 0.132 0.000 0.964 44 T CB -0.071 68.858 68.868 0.102 0.000 1.005 44 T HN 0.564 nan 8.240 nan 0.000 0.532 45 S N 0.529 116.283 115.700 0.090 0.000 2.578 45 S HA 0.539 5.012 4.470 0.004 0.000 0.272 45 S C -1.016 173.535 174.600 -0.082 0.000 1.145 45 S CA -1.263 56.949 58.200 0.020 0.000 0.835 45 S CB 0.732 63.951 63.200 0.032 0.000 1.104 45 S HN 0.163 nan 8.310 nan 0.000 0.458 46 I N 2.968 123.470 120.570 -0.114 0.000 2.741 46 I HA 0.166 4.338 4.170 0.004 0.000 0.288 46 I C -1.471 174.493 176.117 -0.254 0.000 1.192 46 I CA -0.913 60.275 61.300 -0.185 0.000 1.426 46 I CB -0.751 37.167 38.000 -0.137 0.000 1.367 46 I HN 0.605 nan 8.210 nan 0.000 0.563 47 P HA 0.054 nan 4.420 nan 0.000 0.271 47 P C -0.101 177.069 177.300 -0.217 0.000 1.233 47 P CA -0.249 62.593 63.100 -0.430 0.000 0.789 47 P CB 0.998 32.278 31.700 -0.699 0.000 0.951 48 S N -1.094 114.518 115.700 -0.146 0.000 2.719 48 S HA 0.561 5.033 4.470 0.004 0.000 0.285 48 S C 1.046 175.607 174.600 -0.065 0.000 1.137 48 S CA 0.360 58.510 58.200 -0.083 0.000 1.012 48 S CB -0.261 62.908 63.200 -0.051 0.000 1.134 48 S HN 0.883 nan 8.310 nan 0.000 0.544 49 G N 0.144 108.920 108.800 -0.039 0.000 2.143 49 G HA2 -0.183 3.780 3.960 0.004 0.000 0.248 49 G HA3 -0.183 3.780 3.960 0.004 0.000 0.248 49 G C -0.015 174.870 174.900 -0.025 0.000 0.991 49 G CA 0.349 45.434 45.100 -0.026 0.000 0.689 49 G HN 0.655 nan 8.290 nan 0.000 0.522 50 L N 1.430 122.634 121.223 -0.031 0.000 2.456 50 L HA 0.463 4.806 4.340 0.004 0.000 0.272 50 L C 1.399 178.262 176.870 -0.011 0.000 1.189 50 L CA 0.662 55.487 54.840 -0.024 0.000 0.846 50 L CB 0.488 42.531 42.059 -0.027 0.000 1.111 50 L HN 0.462 nan 8.230 nan 0.000 0.475 51 T N -1.128 113.422 114.554 -0.006 0.000 2.905 51 T HA 0.576 4.928 4.350 0.004 0.000 0.283 51 T C 0.594 175.295 174.700 0.002 0.000 1.031 51 T CA -0.230 61.869 62.100 -0.001 0.000 1.002 51 T CB 1.811 70.678 68.868 -0.001 0.000 1.200 51 T HN 0.533 nan 8.240 nan 0.000 0.560 52 A N -0.600 122.222 122.820 0.003 0.000 2.251 52 A HA 0.619 4.942 4.320 0.004 0.000 0.209 52 A C 1.987 179.572 177.584 0.003 0.000 1.187 52 A CA 0.528 52.568 52.037 0.005 0.000 0.823 52 A CB -0.950 18.054 19.000 0.006 0.000 0.846 52 A HN 1.121 nan 8.150 nan 0.000 0.486 53 A N -0.770 122.051 122.820 0.001 0.000 2.303 53 A HA 0.470 4.792 4.320 0.004 0.000 0.217 53 A C 0.840 178.424 177.584 -0.001 0.000 1.205 53 A CA -0.206 51.831 52.037 -0.000 0.000 0.875 53 A CB -0.279 18.721 19.000 -0.000 0.000 0.910 53 A HN 0.470 nan 8.150 nan 0.000 0.501 54 M N 0.471 120.070 119.600 -0.001 0.000 2.200 54 M HA 0.211 4.694 4.480 0.004 0.000 0.355 54 M C 0.820 177.118 176.300 -0.004 0.000 1.283 54 M CA -0.118 55.180 55.300 -0.002 0.000 1.124 54 M CB 0.998 33.596 32.600 -0.003 0.000 1.625 54 M HN -0.017 nan 8.290 nan 0.000 0.463 55 K N 0.782 121.178 120.400 -0.007 0.000 2.262 55 K HA 0.183 4.506 4.320 0.004 0.000 0.200 55 K C 0.387 176.978 176.600 -0.015 0.000 1.058 55 K CA 0.490 56.771 56.287 -0.011 0.000 0.974 55 K CB 0.671 33.162 32.500 -0.014 0.000 0.910 55 K HN 0.628 nan 8.250 nan 0.000 0.484 56 S N 0.894 116.583 115.700 -0.018 0.000 2.557 56 S HA 0.538 5.011 4.470 0.004 0.000 0.291 56 S C -1.698 172.894 174.600 -0.013 0.000 1.116 56 S CA -0.768 57.417 58.200 -0.025 0.000 0.992 56 S CB 0.781 63.955 63.200 -0.044 0.000 1.028 56 S HN 0.064 nan 8.310 nan 0.000 0.484 57 L N 4.369 125.587 121.223 -0.008 0.000 2.376 57 L HA 0.702 5.044 4.340 0.004 0.000 0.275 57 L C -1.455 175.418 176.870 0.006 0.000 0.987 57 L CA -0.179 54.662 54.840 0.002 0.000 0.828 57 L CB 1.833 43.891 42.059 -0.002 0.000 1.249 57 L HN 0.714 nan 8.230 nan 0.000 0.409 58 D N 5.217 125.629 120.400 0.020 0.000 2.461 58 D HA 0.288 4.931 4.640 0.004 0.000 0.240 58 D C -0.413 175.919 176.300 0.054 0.000 1.094 58 D CA -0.077 53.937 54.000 0.025 0.000 0.868 58 D CB 0.842 41.659 40.800 0.029 0.000 1.062 58 D HN 0.655 nan 8.370 nan 0.000 0.530 59 L N 2.411 123.656 121.223 0.036 0.000 3.034 59 L HA 0.241 4.584 4.340 0.004 0.000 0.245 59 L C 0.669 177.555 176.870 0.027 0.000 1.295 59 L CA -0.271 54.617 54.840 0.079 0.000 1.068 59 L CB 0.212 42.305 42.059 0.056 0.000 1.426 59 L HN 0.129 nan 8.230 nan 0.000 0.531 60 S N -0.328 115.346 115.700 -0.042 0.000 2.600 60 S HA 0.292 4.765 4.470 0.004 0.000 0.265 60 S C 0.460 174.986 174.600 -0.123 0.000 1.325 60 S CA -0.362 57.665 58.200 -0.290 0.000 1.002 60 S CB 0.172 62.992 63.200 -0.633 0.000 0.921 60 S HN 0.386 nan 8.310 nan 0.000 0.554 61 F N -0.307 119.653 119.950 0.016 0.000 3.067 61 F HA -0.267 4.263 4.527 0.004 0.000 0.279 61 F C 0.412 176.212 175.800 0.000 0.000 0.945 61 F CA 0.083 58.084 58.000 0.003 0.000 0.948 61 F CB -2.287 36.712 39.000 -0.001 0.000 0.898 61 F HN 0.455 nan 8.300 nan 0.000 0.746 62 N N 0.130 118.885 118.700 0.091 0.000 3.040 62 N HA 0.526 5.268 4.740 0.004 0.000 0.339 62 N C 0.471 176.015 175.510 0.057 0.000 1.387 62 N CA -0.925 52.177 53.050 0.088 0.000 0.745 62 N CB 0.540 39.117 38.487 0.149 0.000 1.237 62 N HN 0.012 nan 8.380 nan 0.000 0.565 63 K N 0.793 121.236 120.400 0.072 0.000 2.860 63 K HA 0.349 4.671 4.320 0.004 0.000 0.204 63 K C -0.917 175.718 176.600 0.058 0.000 1.127 63 K CA -0.056 56.261 56.287 0.050 0.000 1.050 63 K CB 0.216 32.751 32.500 0.058 0.000 0.745 63 K HN 0.456 nan 8.250 nan 0.000 0.459 64 I N 1.709 122.308 120.570 0.050 0.000 2.357 64 I HA -0.049 4.123 4.170 0.004 0.000 0.300 64 I C 1.695 177.825 176.117 0.021 0.000 1.159 64 I CA 0.204 61.527 61.300 0.040 0.000 1.339 64 I CB 0.501 38.508 38.000 0.012 0.000 1.458 64 I HN 0.027 nan 8.210 nan 0.000 0.577 65 T N 5.344 119.934 114.554 0.060 0.000 2.951 65 T HA -0.126 4.227 4.350 0.004 0.000 0.268 65 T C -0.021 174.760 174.700 0.134 0.000 1.073 65 T CA 1.216 63.365 62.100 0.083 0.000 1.134 65 T CB 0.016 68.944 68.868 0.099 0.000 0.884 65 T HN 0.489 nan 8.240 nan 0.000 0.479 66 Y N 0.087 120.369 120.300 -0.029 0.000 2.504 66 Y HA 0.578 5.131 4.550 0.005 0.000 0.344 66 Y C -1.676 174.172 175.900 -0.087 0.000 1.023 66 Y CA -1.835 56.233 58.100 -0.053 0.000 1.020 66 Y CB 1.308 39.741 38.460 -0.044 0.000 1.282 66 Y HN -0.053 nan 8.280 nan 0.000 0.454 67 I N 6.072 126.112 120.570 -0.883 0.000 2.411 67 I HA 0.487 4.660 4.170 0.004 0.000 0.284 67 I C 0.483 175.876 176.117 -1.206 0.000 1.012 67 I CA -0.627 60.202 61.300 -0.786 0.000 1.119 67 I CB 1.386 39.078 38.000 -0.512 0.000 1.261 67 I HN 0.881 nan 8.210 nan 0.000 0.448 68 G N 2.900 111.106 108.800 -0.990 0.000 2.543 68 G HA2 0.193 4.155 3.960 0.004 0.000 0.290 68 G HA3 0.193 4.155 3.960 0.004 0.000 0.290 68 G C 0.487 175.132 174.900 -0.426 0.000 1.310 68 G CA -0.159 44.530 45.100 -0.685 0.000 1.025 68 G HN 0.728 nan 8.290 nan 0.000 0.502 69 H N -0.939 118.071 119.070 -0.099 0.000 2.421 69 H HA -0.022 4.536 4.556 0.004 0.000 0.298 69 H C 2.458 177.738 175.328 -0.080 0.000 1.087 69 H CA 1.581 57.574 56.048 -0.092 0.000 1.330 69 H CB 0.323 30.055 29.762 -0.049 0.000 1.388 69 H HN 0.504 nan 8.280 nan 0.000 0.526 70 G N -0.580 108.249 108.800 0.047 0.000 2.850 70 G HA2 -0.087 3.875 3.960 0.004 0.000 0.211 70 G HA3 -0.087 3.875 3.960 0.004 0.000 0.211 70 G C 0.762 175.653 174.900 -0.015 0.000 1.124 70 G CA 0.226 45.339 45.100 0.022 0.000 0.769 70 G HN 0.211 nan 8.290 nan 0.000 0.535 71 D N 1.587 121.953 120.400 -0.057 0.000 2.192 71 D HA -0.180 4.462 4.640 0.004 0.000 0.189 71 D C 1.783 178.055 176.300 -0.046 0.000 1.007 71 D CA 1.093 55.050 54.000 -0.070 0.000 0.859 71 D CB -0.281 40.443 40.800 -0.128 0.000 0.936 71 D HN 0.339 nan 8.370 nan 0.000 0.447 72 L N 0.287 121.490 121.223 -0.032 0.000 2.848 72 L HA 0.241 4.583 4.340 0.004 0.000 0.240 72 L C 1.600 178.493 176.870 0.037 0.000 1.232 72 L CA -0.293 54.554 54.840 0.013 0.000 1.031 72 L CB 0.297 42.394 42.059 0.063 0.000 1.338 72 L HN -0.183 nan 8.230 nan 0.000 0.509 73 R N 0.619 121.136 120.500 0.029 0.000 2.153 73 R HA 0.101 4.443 4.340 0.004 0.000 0.218 73 R C 2.141 178.465 176.300 0.040 0.000 1.072 73 R CA 1.067 57.196 56.100 0.049 0.000 0.990 73 R CB -0.411 29.916 30.300 0.046 0.000 0.889 73 R HN 0.371 nan 8.270 nan 0.000 0.452 74 A N 0.946 123.779 122.820 0.023 0.000 1.929 74 A HA -0.096 4.226 4.320 0.004 0.000 0.216 74 A C 1.471 179.065 177.584 0.017 0.000 1.176 74 A CA 1.003 53.050 52.037 0.017 0.000 0.628 74 A CB -0.407 18.596 19.000 0.006 0.000 0.816 74 A HN 0.476 nan 8.150 nan 0.000 0.444 75 C N -0.853 118.457 119.300 0.018 0.000 3.057 75 C HA 0.706 5.169 4.460 0.004 0.000 0.563 75 C C 1.618 176.622 174.990 0.023 0.000 1.129 75 C CA -0.861 58.166 59.018 0.016 0.000 1.284 75 C CB -1.705 26.042 27.740 0.011 0.000 1.532 75 C HN 0.566 nan 8.230 nan 0.000 0.631 76 A N 1.483 124.317 122.820 0.023 0.000 2.216 76 A HA -0.047 4.276 4.320 0.004 0.000 0.214 76 A C 1.834 179.426 177.584 0.014 0.000 1.160 76 A CA 1.091 53.142 52.037 0.023 0.000 0.725 76 A CB -0.341 18.672 19.000 0.022 0.000 0.784 76 A HN 0.811 nan 8.150 nan 0.000 0.472 77 N N -0.578 118.129 118.700 0.010 0.000 2.205 77 N HA 0.105 4.848 4.740 0.004 0.000 0.201 77 N C -0.168 175.345 175.510 0.004 0.000 1.128 77 N CA -0.248 52.806 53.050 0.006 0.000 0.867 77 N CB 0.305 38.794 38.487 0.003 0.000 0.996 77 N HN 0.374 nan 8.380 nan 0.000 0.503 78 L N 1.954 123.181 121.223 0.007 0.000 2.540 78 L HA -0.067 4.276 4.340 0.004 0.000 0.276 78 L C 1.203 178.075 176.870 0.003 0.000 1.212 78 L CA 1.043 55.886 54.840 0.004 0.000 0.893 78 L CB 0.567 42.631 42.059 0.008 0.000 1.138 78 L HN 0.107 nan 8.230 nan 0.000 0.491 79 Q N 3.002 122.802 119.800 -0.000 0.000 2.391 79 Q HA 0.284 4.627 4.340 0.004 0.000 0.243 79 Q C -0.732 175.278 176.000 0.017 0.000 0.874 79 Q CA 0.033 55.839 55.803 0.005 0.000 0.950 79 Q CB 1.051 29.787 28.738 -0.003 0.000 1.103 79 Q HN 0.488 nan 8.270 nan 0.000 0.544 80 V N 1.786 121.702 119.914 0.004 0.000 2.638 80 V HA 0.387 4.509 4.120 0.004 0.000 0.306 80 V C -1.461 174.642 176.094 0.015 0.000 1.052 80 V CA -0.810 61.500 62.300 0.017 0.000 0.885 80 V CB 2.210 33.989 31.823 -0.072 0.000 0.999 80 V HN 0.082 nan 8.190 nan 0.000 0.424 81 L N 6.820 128.068 121.223 0.041 0.000 2.457 81 L HA 0.658 5.001 4.340 0.004 0.000 0.266 81 L C -0.959 175.929 176.870 0.030 0.000 0.979 81 L CA 0.122 54.964 54.840 0.003 0.000 0.857 81 L CB 1.224 43.247 42.059 -0.059 0.000 1.213 81 L HN 0.574 nan 8.230 nan 0.000 0.418 82 I N 6.217 126.801 120.570 0.023 0.000 2.339 82 I HA 0.329 4.502 4.170 0.004 0.000 0.290 82 I C -0.058 176.035 176.117 -0.039 0.000 0.994 82 I CA -0.262 61.048 61.300 0.017 0.000 1.191 82 I CB 1.471 39.478 38.000 0.011 0.000 1.343 82 I HN 0.568 nan 8.210 nan 0.000 0.458 83 L N 6.758 127.940 121.223 -0.070 0.000 3.313 83 L HA 0.285 4.628 4.340 0.004 0.000 0.320 83 L C 0.308 177.078 176.870 -0.166 0.000 1.304 83 L CA -0.181 54.597 54.840 -0.103 0.000 0.920 83 L CB 0.270 42.286 42.059 -0.072 0.000 1.357 83 L HN 0.512 nan 8.230 nan 0.000 0.602 84 K N 0.158 120.406 120.400 -0.254 0.000 2.295 84 K HA 0.123 4.445 4.320 0.004 0.000 0.270 84 K C 0.929 177.243 176.600 -0.478 0.000 1.011 84 K CA 0.206 56.300 56.287 -0.322 0.000 0.953 84 K CB 0.940 33.240 32.500 -0.333 0.000 0.956 84 K HN 0.029 nan 8.250 nan 0.000 0.477 85 S N 1.322 116.850 115.700 -0.286 0.000 3.486 85 S HA -0.156 4.316 4.470 0.004 0.000 0.371 85 S C -0.088 174.418 174.600 -0.156 0.000 1.001 85 S CA 0.670 58.758 58.200 -0.187 0.000 1.164 85 S CB -0.820 62.340 63.200 -0.066 0.000 0.911 85 S HN 0.726 nan 8.310 nan 0.000 0.472 86 S N 0.199 115.798 115.700 -0.167 0.000 2.301 86 S HA 0.531 5.004 4.470 0.004 0.000 0.245 86 S C 0.940 175.440 174.600 -0.166 0.000 1.191 86 S CA -0.608 57.528 58.200 -0.108 0.000 1.032 86 S CB 0.323 63.471 63.200 -0.086 0.000 1.104 86 S HN 0.549 nan 8.310 nan 0.000 0.453 87 R N 0.327 120.722 120.500 -0.174 0.000 2.635 87 R HA 0.369 4.712 4.340 0.004 0.000 0.393 87 R C -1.119 175.040 176.300 -0.235 0.000 1.070 87 R CA -0.044 55.831 56.100 -0.374 0.000 1.118 87 R CB -0.003 30.142 30.300 -0.257 0.000 1.341 87 R HN 0.418 nan 8.270 nan 0.000 0.628 88 I N 2.354 122.835 120.570 -0.149 0.000 2.668 88 I HA -0.098 4.075 4.170 0.004 0.000 0.285 88 I C 1.258 177.392 176.117 0.029 0.000 1.168 88 I CA 0.443 61.709 61.300 -0.057 0.000 1.424 88 I CB 0.328 38.277 38.000 -0.084 0.000 1.377 88 I HN 0.404 nan 8.210 nan 0.000 0.560 89 N N 4.085 122.844 118.700 0.098 0.000 2.210 89 N HA 0.011 4.753 4.740 0.004 0.000 0.203 89 N C 0.186 175.794 175.510 0.162 0.000 1.175 89 N CA 0.090 53.244 53.050 0.174 0.000 0.894 89 N CB 1.181 39.793 38.487 0.208 0.000 1.041 89 N HN 0.681 nan 8.380 nan 0.000 0.506 90 T N -0.256 114.378 114.554 0.134 0.000 3.041 90 T HA 0.609 4.961 4.350 0.004 0.000 0.321 90 T C -1.712 173.002 174.700 0.023 0.000 1.184 90 T CA -0.739 61.456 62.100 0.157 0.000 1.050 90 T CB 1.152 70.146 68.868 0.211 0.000 1.159 90 T HN 0.077 nan 8.240 nan 0.000 0.469 91 I N 3.185 123.766 120.570 0.019 0.000 2.499 91 I HA 0.387 4.560 4.170 0.004 0.000 0.288 91 I C 0.030 176.141 176.117 -0.011 0.000 1.048 91 I CA -1.084 60.076 61.300 -0.233 0.000 1.062 91 I CB 2.159 39.792 38.000 -0.612 0.000 1.238 91 I HN 0.594 nan 8.210 nan 0.000 0.426 92 E N 3.917 123.971 120.200 -0.243 0.000 2.413 92 E HA 0.037 4.389 4.350 0.004 0.000 0.263 92 E C 1.173 177.804 176.600 0.052 0.000 1.015 92 E CA 0.194 56.519 56.400 -0.125 0.000 0.916 92 E CB 1.109 30.531 29.700 -0.463 0.000 0.947 92 E HN 0.883 nan 8.360 nan 0.000 0.440 93 G N 3.137 112.013 108.800 0.126 0.000 2.503 93 G HA2 -0.300 3.663 3.960 0.004 0.000 0.221 93 G HA3 -0.300 3.663 3.960 0.004 0.000 0.221 93 G C 0.724 175.705 174.900 0.136 0.000 1.131 93 G CA 1.279 46.449 45.100 0.115 0.000 0.756 93 G HN 0.560 nan 8.290 nan 0.000 0.572 94 D N 0.174 120.627 120.400 0.088 0.000 2.427 94 D HA 0.466 5.109 4.640 0.004 0.000 0.224 94 D C 1.868 178.173 176.300 0.009 0.000 1.157 94 D CA 0.437 54.495 54.000 0.098 0.000 0.828 94 D CB -0.107 40.693 40.800 0.001 0.000 0.974 94 D HN 0.229 nan 8.370 nan 0.000 0.498 95 A N 0.090 122.762 122.820 -0.246 0.000 2.024 95 A HA -0.092 4.231 4.320 0.004 0.000 0.220 95 A C 0.981 178.310 177.584 -0.424 0.000 1.164 95 A CA 0.794 52.520 52.037 -0.518 0.000 0.643 95 A CB -0.715 17.683 19.000 -1.004 0.000 0.806 95 A HN 0.273 nan 8.150 nan 0.000 0.451 96 F N -3.054 116.912 119.950 0.027 0.000 2.647 96 F HA 0.279 4.809 4.527 0.004 0.000 0.300 96 F C 1.148 176.994 175.800 0.077 0.000 1.106 96 F CA -1.390 56.622 58.000 0.020 0.000 1.313 96 F CB -0.872 38.114 39.000 -0.023 0.000 1.007 96 F HN 0.272 nan 8.300 nan 0.000 0.536 97 Y N 1.480 121.849 120.300 0.115 0.000 2.298 97 Y HA -0.277 4.276 4.550 0.005 0.000 0.287 97 Y C 2.350 178.299 175.900 0.081 0.000 1.164 97 Y CA 1.796 59.950 58.100 0.089 0.000 1.229 97 Y CB -0.060 38.429 38.460 0.048 0.000 0.977 97 Y HN 0.154 nan 8.280 nan 0.000 0.538 98 S N -1.710 114.071 115.700 0.135 0.000 2.539 98 S HA 0.183 4.655 4.470 0.004 0.000 0.221 98 S C 0.570 175.192 174.600 0.036 0.000 0.987 98 S CA -0.321 57.915 58.200 0.061 0.000 0.929 98 S CB -0.590 62.670 63.200 0.101 0.000 0.832 98 S HN 0.278 nan 8.310 nan 0.000 0.492 99 L N 2.344 123.603 121.223 0.059 0.000 2.873 99 L HA 0.369 4.711 4.340 0.004 0.000 0.236 99 L C 1.748 178.626 176.870 0.012 0.000 1.375 99 L CA -0.239 54.628 54.840 0.045 0.000 1.239 99 L CB -0.766 41.333 42.059 0.067 0.000 1.603 99 L HN 0.464 nan 8.230 nan 0.000 0.430 100 G N -0.676 108.117 108.800 -0.012 0.000 2.625 100 G HA2 -0.134 3.829 3.960 0.004 0.000 0.214 100 G HA3 -0.134 3.829 3.960 0.004 0.000 0.214 100 G C 1.229 176.126 174.900 -0.006 0.000 1.132 100 G CA 0.341 45.427 45.100 -0.022 0.000 0.782 100 G HN 0.458 nan 8.290 nan 0.000 0.538 101 S N -0.774 114.926 115.700 0.001 0.000 2.603 101 S HA 0.253 4.725 4.470 0.004 0.000 0.232 101 S C 0.288 174.893 174.600 0.009 0.000 1.016 101 S CA -0.668 57.535 58.200 0.005 0.000 0.976 101 S CB 0.446 63.648 63.200 0.003 0.000 0.921 101 S HN 0.222 nan 8.310 nan 0.000 0.516 102 L N 2.847 124.074 121.223 0.007 0.000 2.499 102 L HA 0.128 4.471 4.340 0.004 0.000 0.273 102 L C 0.868 177.752 176.870 0.023 0.000 1.195 102 L CA 1.162 56.006 54.840 0.006 0.000 0.882 102 L CB 0.405 42.450 42.059 -0.024 0.000 1.133 102 L HN 0.129 nan 8.230 nan 0.000 0.483 103 E N 1.895 122.122 120.200 0.045 0.000 2.453 103 E HA 0.080 4.432 4.350 0.004 0.000 0.211 103 E C -0.591 176.083 176.600 0.124 0.000 0.897 103 E CA -0.022 56.419 56.400 0.068 0.000 1.063 103 E CB 0.616 30.352 29.700 0.060 0.000 1.080 103 E HN 0.659 nan 8.360 nan 0.000 0.512 104 H N 0.324 119.399 119.070 0.010 0.000 2.689 104 H HA 0.463 5.022 4.556 0.004 0.000 0.346 104 H C -1.831 173.515 175.328 0.029 0.000 1.037 104 H CA -0.896 55.173 56.048 0.036 0.000 1.234 104 H CB 1.229 30.940 29.762 -0.085 0.000 1.572 104 H HN -0.061 nan 8.280 nan 0.000 0.524 105 L N 5.001 126.174 121.223 -0.083 0.000 2.446 105 L HA 0.366 4.709 4.340 0.004 0.000 0.268 105 L C -1.687 175.162 176.870 -0.035 0.000 0.975 105 L CA -0.486 54.309 54.840 -0.075 0.000 0.848 105 L CB 1.630 43.603 42.059 -0.143 0.000 1.225 105 L HN 0.696 nan 8.230 nan 0.000 0.410 106 D N 5.107 125.514 120.400 0.011 0.000 2.460 106 D HA 0.322 4.965 4.640 0.004 0.000 0.232 106 D C -0.123 176.176 176.300 -0.003 0.000 1.079 106 D CA -0.024 54.014 54.000 0.064 0.000 0.864 106 D CB 0.984 41.867 40.800 0.138 0.000 1.048 106 D HN 0.687 nan 8.370 nan 0.000 0.523 107 L N 2.693 123.915 121.223 -0.002 0.000 3.017 107 L HA 0.148 4.490 4.340 0.004 0.000 0.255 107 L C 0.830 177.705 176.870 0.008 0.000 1.247 107 L CA -0.340 54.492 54.840 -0.014 0.000 1.038 107 L CB 0.102 42.160 42.059 -0.002 0.000 1.380 107 L HN 0.268 nan 8.230 nan 0.000 0.548 108 S N -1.656 114.045 115.700 0.003 0.000 2.584 108 S HA 0.070 4.543 4.470 0.004 0.000 0.270 108 S C 0.346 174.936 174.600 -0.017 0.000 1.346 108 S CA -0.548 57.655 58.200 0.005 0.000 1.018 108 S CB 0.681 63.886 63.200 0.008 0.000 0.899 108 S HN 0.371 nan 8.310 nan 0.000 0.542 109 D N 0.787 121.185 120.400 -0.003 0.000 2.697 109 D HA -0.150 4.493 4.640 0.004 0.000 0.238 109 D C -0.334 175.958 176.300 -0.013 0.000 1.152 109 D CA 1.096 55.097 54.000 0.003 0.000 0.666 109 D CB -1.829 38.975 40.800 0.007 0.000 1.037 109 D HN 0.700 nan 8.370 nan 0.000 0.423 110 N N -1.090 117.615 118.700 0.007 0.000 3.184 110 N HA 0.397 5.140 4.740 0.004 0.000 0.353 110 N C 0.229 175.809 175.510 0.117 0.000 1.441 110 N CA -0.654 52.368 53.050 -0.047 0.000 0.723 110 N CB 0.797 39.255 38.487 -0.048 0.000 1.547 110 N HN 0.148 nan 8.380 nan 0.000 0.624 111 H N -0.157 118.944 119.070 0.051 0.000 2.507 111 H HA 0.296 4.854 4.556 0.004 0.000 0.281 111 H C -0.703 174.689 175.328 0.107 0.000 1.160 111 H CA -0.544 55.544 56.048 0.067 0.000 0.981 111 H CB 0.226 30.023 29.762 0.059 0.000 1.665 111 H HN -0.021 nan 8.280 nan 0.000 0.554 112 L N 1.126 122.502 121.223 0.255 0.000 2.325 112 L HA 0.061 4.404 4.340 0.004 0.000 0.284 112 L C 1.241 178.303 176.870 0.319 0.000 1.089 112 L CA 0.486 55.504 54.840 0.297 0.000 0.836 112 L CB 1.265 43.541 42.059 0.361 0.000 1.184 112 L HN 0.242 nan 8.230 nan 0.000 0.444 113 S N 0.554 116.407 115.700 0.255 0.000 2.478 113 S HA 0.154 4.627 4.470 0.004 0.000 0.222 113 S C 0.446 175.187 174.600 0.234 0.000 1.008 113 S CA 0.177 58.510 58.200 0.222 0.000 0.928 113 S CB 0.295 63.581 63.200 0.143 0.000 0.781 113 S HN 0.676 nan 8.310 nan 0.000 0.518 114 S N 1.034 116.857 115.700 0.206 0.000 2.571 114 S HA 0.576 5.049 4.470 0.004 0.000 0.284 114 S C -0.821 173.798 174.600 0.031 0.000 1.128 114 S CA -0.759 57.497 58.200 0.093 0.000 0.970 114 S CB 1.725 64.944 63.200 0.032 0.000 1.039 114 S HN 0.174 nan 8.310 nan 0.000 0.485 115 L N 1.869 123.000 121.223 -0.154 0.000 2.375 115 L HA 0.780 5.122 4.340 0.004 0.000 0.268 115 L C 0.325 176.739 176.870 -0.760 0.000 1.058 115 L CA -0.589 54.026 54.840 -0.375 0.000 0.803 115 L CB 1.539 43.444 42.059 -0.257 0.000 1.212 115 L HN 0.649 nan 8.230 nan 0.000 0.451 116 S N -0.880 113.918 115.700 -1.503 0.000 2.594 116 S HA 0.246 4.719 4.470 0.004 0.000 0.296 116 S C 0.702 174.793 174.600 -0.848 0.000 1.124 116 S CA -0.410 57.071 58.200 -1.199 0.000 1.011 116 S CB 1.615 63.924 63.200 -1.485 0.000 1.016 116 S HN 0.688 nan 8.310 nan 0.000 0.485 117 S N 3.798 119.247 115.700 -0.419 0.000 2.442 117 S HA -0.096 4.376 4.470 0.004 0.000 0.236 117 S C 1.773 176.294 174.600 -0.132 0.000 1.007 117 S CA 1.372 59.473 58.200 -0.166 0.000 0.965 117 S CB -0.562 62.560 63.200 -0.129 0.000 0.773 117 S HN 0.640 nan 8.310 nan 0.000 0.504 118 S N 0.927 116.476 115.700 -0.251 0.000 2.383 118 S HA -0.069 4.404 4.470 0.004 0.000 0.229 118 S C 1.423 176.025 174.600 0.004 0.000 1.030 118 S CA 1.128 59.265 58.200 -0.105 0.000 1.002 118 S CB -0.517 62.614 63.200 -0.115 0.000 0.829 118 S HN 0.695 nan 8.310 nan 0.000 0.467 119 W N 1.210 122.352 121.300 -0.264 0.000 2.321 119 W HA -0.059 4.603 4.660 0.004 0.000 0.306 119 W C 1.661 178.018 176.519 -0.269 0.000 1.217 119 W CA 0.476 57.613 57.345 -0.347 0.000 1.257 119 W CB -1.481 27.521 29.460 -0.763 0.000 1.145 119 W HN 0.336 nan 8.180 nan 0.000 0.509 120 F N -0.121 120.046 119.950 0.362 0.000 2.743 120 F HA 0.218 4.748 4.527 0.006 0.000 0.297 120 F C 2.456 178.343 175.800 0.144 0.000 1.131 120 F CA 0.457 58.592 58.000 0.225 0.000 1.426 120 F CB -1.483 37.625 39.000 0.181 0.000 1.116 120 F HN -0.139 nan 8.300 nan 0.000 0.583 121 G N 1.955 110.897 108.800 0.237 0.000 2.513 121 G HA2 -0.256 3.707 3.960 0.004 0.000 0.219 121 G HA3 -0.256 3.707 3.960 0.004 0.000 0.219 121 G C -0.376 174.585 174.900 0.101 0.000 1.160 121 G CA 1.051 46.245 45.100 0.155 0.000 0.767 121 G HN 0.296 nan 8.290 nan 0.000 0.571 122 P HA 0.171 nan 4.420 nan 0.000 0.252 122 P C 0.923 178.234 177.300 0.019 0.000 1.218 122 P CA 0.060 63.135 63.100 -0.040 0.000 0.807 122 P CB 0.090 31.659 31.700 -0.219 0.000 1.072 123 L N 1.436 122.723 121.223 0.106 0.000 2.650 123 L HA 0.089 4.431 4.340 0.004 0.000 0.239 123 L C 1.778 178.697 176.870 0.081 0.000 1.412 123 L CA 0.003 54.903 54.840 0.101 0.000 1.219 123 L CB -0.996 41.164 42.059 0.167 0.000 1.534 123 L HN 0.006 nan 8.230 nan 0.000 0.430 124 S N -2.475 113.253 115.700 0.046 0.000 2.469 124 S HA -0.121 4.352 4.470 0.004 0.000 0.238 124 S C 1.650 176.268 174.600 0.028 0.000 0.998 124 S CA 0.968 59.189 58.200 0.036 0.000 0.957 124 S CB -0.014 63.197 63.200 0.018 0.000 0.764 124 S HN 0.501 nan 8.310 nan 0.000 0.514 125 S N 0.763 116.478 115.700 0.026 0.000 2.556 125 S HA 0.357 4.829 4.470 0.004 0.000 0.216 125 S C 0.211 174.828 174.600 0.028 0.000 0.970 125 S CA -0.517 57.696 58.200 0.022 0.000 0.912 125 S CB -0.282 62.928 63.200 0.017 0.000 0.790 125 S HN 0.434 nan 8.310 nan 0.000 0.504 126 L N 2.782 124.025 121.223 0.033 0.000 2.584 126 L HA 0.068 4.411 4.340 0.004 0.000 0.272 126 L C 0.884 177.766 176.870 0.019 0.000 1.195 126 L CA 0.981 55.839 54.840 0.031 0.000 0.920 126 L CB 0.366 42.446 42.059 0.035 0.000 1.173 126 L HN -0.009 nan 8.230 nan 0.000 0.489 127 K N 3.938 124.363 120.400 0.041 0.000 2.387 127 K HA 0.096 4.419 4.320 0.004 0.000 0.197 127 K C -0.698 175.940 176.600 0.064 0.000 1.127 127 K CA 0.076 56.391 56.287 0.047 0.000 0.950 127 K CB 0.569 33.114 32.500 0.075 0.000 1.017 127 K HN 0.521 nan 8.250 nan 0.000 0.519 128 Y N 1.006 121.248 120.300 -0.098 0.000 2.391 128 Y HA 0.497 5.049 4.550 0.004 0.000 0.341 128 Y C -1.760 173.982 175.900 -0.263 0.000 0.965 128 Y CA -1.478 56.508 58.100 -0.190 0.000 1.067 128 Y CB 1.464 39.780 38.460 -0.239 0.000 1.199 128 Y HN -0.165 nan 8.280 nan 0.000 0.450 129 L N 6.750 127.630 121.223 -0.572 0.000 2.470 129 L HA 0.531 4.874 4.340 0.004 0.000 0.268 129 L C -2.140 174.371 176.870 -0.598 0.000 0.964 129 L CA -0.409 54.181 54.840 -0.418 0.000 0.839 129 L CB 1.819 43.699 42.059 -0.298 0.000 1.276 129 L HN 0.763 nan 8.230 nan 0.000 0.403 130 N N 5.026 123.492 118.700 -0.389 0.000 2.491 130 N HA 0.437 5.179 4.740 0.004 0.000 0.274 130 N C -0.680 174.798 175.510 -0.052 0.000 1.023 130 N CA -0.320 52.565 53.050 -0.276 0.000 0.902 130 N CB 1.209 39.583 38.487 -0.188 0.000 1.267 130 N HN 0.775 nan 8.380 nan 0.000 0.503 131 L N 2.219 123.448 121.223 0.010 0.000 2.959 131 L HA 0.397 4.739 4.340 0.004 0.000 0.259 131 L C 1.002 177.970 176.870 0.164 0.000 1.185 131 L CA -0.155 54.784 54.840 0.165 0.000 0.998 131 L CB 0.098 42.320 42.059 0.272 0.000 1.337 131 L HN 0.419 nan 8.230 nan 0.000 0.555 132 M N 0.120 119.735 119.600 0.024 0.000 2.248 132 M HA 0.274 4.757 4.480 0.004 0.000 0.337 132 M C 1.244 177.505 176.300 -0.065 0.000 1.121 132 M CA 1.414 56.682 55.300 -0.054 0.000 1.155 132 M CB 0.599 33.147 32.600 -0.087 0.000 1.514 132 M HN 0.233 nan 8.290 nan 0.000 0.452 133 G N 2.241 110.958 108.800 -0.138 0.000 2.136 133 G HA2 -0.267 3.696 3.960 0.004 0.000 0.242 133 G HA3 -0.267 3.696 3.960 0.004 0.000 0.242 133 G C -0.675 174.176 174.900 -0.082 0.000 0.989 133 G CA 0.177 45.218 45.100 -0.098 0.000 0.682 133 G HN 0.753 nan 8.290 nan 0.000 0.522 134 N N 0.487 119.085 118.700 -0.170 0.000 2.361 134 N HA 0.570 5.313 4.740 0.004 0.000 0.302 134 N C -1.689 173.664 175.510 -0.263 0.000 1.074 134 N CA -1.699 51.300 53.050 -0.085 0.000 0.850 134 N CB 2.164 40.739 38.487 0.147 0.000 1.228 134 N HN -0.039 nan 8.380 nan 0.000 0.491 135 P HA -0.048 nan 4.420 nan 0.000 0.269 135 P C -0.931 176.383 177.300 0.024 0.000 1.461 135 P CA 0.116 63.184 63.100 -0.054 0.000 0.809 135 P CB -0.637 31.067 31.700 0.007 0.000 1.503 136 Y N -1.898 118.480 120.300 0.129 0.000 2.457 136 Y HA 0.214 4.766 4.550 0.004 0.000 0.341 136 Y C 1.766 177.799 175.900 0.222 0.000 1.240 136 Y CA -0.498 57.696 58.100 0.156 0.000 1.437 136 Y CB -0.170 38.387 38.460 0.161 0.000 1.328 136 Y HN -0.168 nan 8.280 nan 0.000 0.588 137 Q N 0.444 120.477 119.800 0.389 0.000 2.339 137 Q HA 0.125 4.467 4.340 0.004 0.000 0.205 137 Q C -0.135 176.021 176.000 0.260 0.000 0.925 137 Q CA 1.034 56.991 55.803 0.256 0.000 0.898 137 Q CB 0.490 29.299 28.738 0.118 0.000 1.013 137 Q HN 1.003 nan 8.270 nan 0.000 0.504 138 T N -5.150 109.620 114.554 0.360 0.000 2.739 138 T HA 0.294 4.647 4.350 0.004 0.000 0.303 138 T C 0.231 175.082 174.700 0.252 0.000 1.389 138 T CA -0.790 61.464 62.100 0.257 0.000 1.001 138 T CB 0.108 68.986 68.868 0.018 0.000 1.436 138 T HN 0.035 nan 8.240 nan 0.000 0.500 139 L N 1.096 122.402 121.223 0.138 0.000 2.599 139 L HA 0.440 4.782 4.340 0.004 0.000 0.230 139 L C 1.487 178.248 176.870 -0.181 0.000 1.141 139 L CA 0.740 55.518 54.840 -0.103 0.000 0.877 139 L CB -1.154 40.828 42.059 -0.128 0.000 1.009 139 L HN 1.262 nan 8.230 nan 0.000 0.447 140 G N -0.173 108.556 108.800 -0.118 0.000 2.663 140 G HA2 -0.202 3.761 3.960 0.004 0.000 0.686 140 G HA3 -0.202 3.761 3.960 0.004 0.000 0.686 140 G C 0.001 174.816 174.900 -0.142 0.000 1.288 140 G CA -0.442 44.575 45.100 -0.137 0.000 0.836 140 G HN 0.029 nan 8.290 nan 0.000 0.584 141 V N -2.324 117.514 119.914 -0.126 0.000 3.544 141 V HA 0.552 4.674 4.120 0.004 0.000 0.304 141 V C 0.703 176.720 176.094 -0.128 0.000 1.256 141 V CA 1.082 63.311 62.300 -0.117 0.000 1.232 141 V CB -0.722 31.046 31.823 -0.093 0.000 1.065 141 V HN 1.152 nan 8.190 nan 0.000 0.423 142 T N 0.060 114.519 114.554 -0.159 0.000 2.991 142 T HA 0.344 4.696 4.350 0.004 0.000 0.303 142 T C -0.013 174.565 174.700 -0.203 0.000 1.015 142 T CA -0.290 61.715 62.100 -0.158 0.000 1.007 142 T CB 1.604 70.381 68.868 -0.152 0.000 1.034 142 T HN 0.290 nan 8.240 nan 0.000 0.446 143 S N 3.048 118.641 115.700 -0.178 0.000 2.629 143 S HA 0.032 4.504 4.470 0.004 0.000 0.302 143 S C 1.604 176.032 174.600 -0.288 0.000 1.244 143 S CA -0.287 57.783 58.200 -0.217 0.000 1.098 143 S CB -0.084 63.045 63.200 -0.118 0.000 0.858 143 S HN 0.519 nan 8.310 nan 0.000 0.502 144 L N 2.073 122.953 121.223 -0.571 0.000 2.240 144 L HA 0.049 4.392 4.340 0.004 0.000 0.211 144 L C 0.903 177.446 176.870 -0.545 0.000 1.106 144 L CA 1.034 55.477 54.840 -0.662 0.000 0.793 144 L CB -0.303 41.036 42.059 -1.200 0.000 0.927 144 L HN 0.617 nan 8.230 nan 0.000 0.446 145 F N -1.180 118.731 119.950 -0.065 0.000 2.664 145 F HA 0.217 4.746 4.527 0.003 0.000 0.303 145 F C -0.807 174.978 175.800 -0.026 0.000 1.092 145 F CA -1.478 56.468 58.000 -0.090 0.000 1.305 145 F CB -1.483 37.448 39.000 -0.115 0.000 1.054 145 F HN -0.019 nan 8.300 nan 0.000 0.565 146 P HA -0.189 nan 4.420 nan 0.000 0.217 146 P C 0.657 178.005 177.300 0.080 0.000 1.148 146 P CA 1.532 64.683 63.100 0.086 0.000 0.828 146 P CB 0.110 31.837 31.700 0.044 0.000 0.783 147 N N -0.591 118.165 118.700 0.095 0.000 2.463 147 N HA -0.006 4.737 4.740 0.004 0.000 0.181 147 N C 0.600 176.160 175.510 0.084 0.000 1.078 147 N CA 0.268 53.369 53.050 0.086 0.000 0.902 147 N CB -0.109 38.438 38.487 0.100 0.000 0.970 147 N HN 0.131 nan 8.380 nan 0.000 0.451 148 L N 2.401 123.681 121.223 0.095 0.000 2.803 148 L HA 0.036 4.378 4.340 0.004 0.000 0.241 148 L C 1.774 178.661 176.870 0.029 0.000 1.404 148 L CA 0.502 55.379 54.840 0.061 0.000 1.211 148 L CB -1.594 40.489 42.059 0.040 0.000 1.585 148 L HN 0.145 nan 8.230 nan 0.000 0.430 149 T N -4.480 110.093 114.554 0.031 0.000 2.996 149 T HA -0.142 4.211 4.350 0.004 0.000 0.271 149 T C 1.311 176.015 174.700 0.007 0.000 1.126 149 T CA 1.103 63.214 62.100 0.018 0.000 1.103 149 T CB -0.151 68.729 68.868 0.020 0.000 0.870 149 T HN 0.380 nan 8.240 nan 0.000 0.528 150 N N 0.297 119.001 118.700 0.006 0.000 2.187 150 N HA 0.235 4.978 4.740 0.004 0.000 0.212 150 N C -0.109 175.396 175.510 -0.008 0.000 1.152 150 N CA -0.283 52.769 53.050 0.003 0.000 0.872 150 N CB 0.343 38.837 38.487 0.011 0.000 1.025 150 N HN 0.329 nan 8.380 nan 0.000 0.514 151 L N 1.589 122.795 121.223 -0.029 0.000 2.490 151 L HA -0.050 4.293 4.340 0.004 0.000 0.274 151 L C 1.234 178.064 176.870 -0.067 0.000 1.201 151 L CA 1.032 55.833 54.840 -0.065 0.000 0.869 151 L CB 0.679 42.664 42.059 -0.123 0.000 1.123 151 L HN 0.080 nan 8.230 nan 0.000 0.484 152 Q N 1.260 121.024 119.800 -0.060 0.000 2.534 152 Q HA 0.230 4.572 4.340 0.004 0.000 0.252 152 Q C -0.381 175.573 176.000 -0.076 0.000 0.850 152 Q CA 0.238 56.018 55.803 -0.038 0.000 0.974 152 Q CB 0.818 29.567 28.738 0.019 0.000 1.205 152 Q HN 0.701 nan 8.270 nan 0.000 0.593 153 T N 1.367 115.859 114.554 -0.104 0.000 2.812 153 T HA 0.569 4.921 4.350 0.004 0.000 0.282 153 T C -1.561 172.920 174.700 -0.366 0.000 0.990 153 T CA -0.392 61.596 62.100 -0.186 0.000 0.960 153 T CB 1.532 70.359 68.868 -0.068 0.000 0.948 153 T HN -0.038 nan 8.240 nan 0.000 0.438 154 L N 4.203 125.197 121.223 -0.383 0.000 2.439 154 L HA 0.614 4.956 4.340 0.004 0.000 0.270 154 L C -1.069 175.579 176.870 -0.370 0.000 0.972 154 L CA -0.461 54.109 54.840 -0.451 0.000 0.836 154 L CB 1.286 43.032 42.059 -0.521 0.000 1.255 154 L HN 0.554 nan 8.230 nan 0.000 0.404 155 R N 6.538 126.827 120.500 -0.351 0.000 2.534 155 R HA 0.841 5.184 4.340 0.004 0.000 0.301 155 R C -0.907 175.301 176.300 -0.152 0.000 0.961 155 R CA -0.745 55.217 56.100 -0.230 0.000 0.871 155 R CB 2.026 32.198 30.300 -0.213 0.000 1.170 155 R HN 0.790 nan 8.270 nan 0.000 0.446 156 I N -2.070 118.439 120.570 -0.102 0.000 3.264 156 I HA 0.905 5.077 4.170 0.004 0.000 0.315 156 I C 0.110 176.104 176.117 -0.205 0.000 1.154 156 I CA -0.839 60.426 61.300 -0.059 0.000 0.962 156 I CB 2.474 40.468 38.000 -0.009 0.000 1.265 156 I HN 0.724 nan 8.210 nan 0.000 0.463 157 G N 2.250 110.804 108.800 -0.410 0.000 2.549 157 G HA2 0.171 4.134 3.960 0.004 0.000 0.404 157 G HA3 0.171 4.134 3.960 0.004 0.000 0.404 157 G C -1.344 173.301 174.900 -0.426 0.000 1.292 157 G CA -0.163 44.548 45.100 -0.649 0.000 0.935 157 G HN 1.855 nan 8.290 nan 0.000 0.512 158 N N -3.805 114.755 118.700 -0.234 0.000 3.373 158 N HA 0.539 5.281 4.740 0.004 0.000 0.275 158 N C 0.374 175.848 175.510 -0.061 0.000 1.489 158 N CA 0.138 53.084 53.050 -0.173 0.000 0.872 158 N CB 0.808 39.169 38.487 -0.211 0.000 1.555 158 N HN 0.961 nan 8.380 nan 0.000 0.500 159 V N -0.187 119.696 119.914 -0.051 0.000 2.426 159 V HA 0.067 4.190 4.120 0.004 0.000 0.242 159 V C 1.303 177.414 176.094 0.029 0.000 1.036 159 V CA 1.668 63.963 62.300 -0.008 0.000 1.044 159 V CB -0.662 31.155 31.823 -0.011 0.000 0.688 159 V HN 0.731 nan 8.190 nan 0.000 0.462 160 E N -0.212 120.000 120.200 0.020 0.000 2.473 160 E HA 0.021 4.373 4.350 0.004 0.000 0.204 160 E C 1.788 178.414 176.600 0.044 0.000 0.994 160 E CA 1.020 57.439 56.400 0.033 0.000 0.945 160 E CB 0.429 30.141 29.700 0.020 0.000 0.990 160 E HN 0.747 nan 8.360 nan 0.000 0.493 161 T N -1.953 112.635 114.554 0.056 0.000 2.980 161 T HA 0.087 4.440 4.350 0.004 0.000 0.252 161 T C 0.369 175.148 174.700 0.131 0.000 0.962 161 T CA -0.533 61.611 62.100 0.073 0.000 0.932 161 T CB -0.365 68.536 68.868 0.055 0.000 1.188 161 T HN -0.001 nan 8.240 nan 0.000 0.500 162 F N 4.593 124.533 119.950 -0.017 0.000 2.546 162 F HA 0.387 4.916 4.527 0.003 0.000 0.388 162 F C 1.202 177.038 175.800 0.059 0.000 1.051 162 F CA -0.480 57.544 58.000 0.041 0.000 1.130 162 F CB 0.580 39.596 39.000 0.026 0.000 1.044 162 F HN 0.315 nan 8.300 nan 0.000 0.553 163 S N 2.499 118.031 115.700 -0.280 0.000 2.632 163 S HA 0.335 4.807 4.470 0.004 0.000 0.237 163 S C -0.097 174.293 174.600 -0.351 0.000 1.037 163 S CA -0.469 57.596 58.200 -0.224 0.000 1.009 163 S CB 0.058 63.211 63.200 -0.079 0.000 0.974 163 S HN 0.621 nan 8.310 nan 0.000 0.544 164 E N 0.610 120.465 120.200 -0.576 0.000 2.340 164 E HA 0.595 4.947 4.350 0.004 0.000 0.273 164 E C -1.619 174.669 176.600 -0.521 0.000 0.891 164 E CA -0.662 55.471 56.400 -0.444 0.000 0.757 164 E CB 2.389 31.921 29.700 -0.280 0.000 1.231 164 E HN 0.215 nan 8.360 nan 0.000 0.439 165 I N 2.300 122.687 120.570 -0.305 0.000 2.439 165 I HA 0.391 4.564 4.170 0.004 0.000 0.285 165 I C -0.326 175.642 176.117 -0.247 0.000 1.021 165 I CA -0.475 60.742 61.300 -0.138 0.000 1.091 165 I CB 1.533 39.627 38.000 0.157 0.000 1.242 165 I HN 0.242 nan 8.210 nan 0.000 0.439 166 R N 3.989 124.347 120.500 -0.236 0.000 2.828 166 R HA 0.508 4.850 4.340 0.004 0.000 0.264 166 R C 0.922 177.082 176.300 -0.233 0.000 1.022 166 R CA -0.777 55.174 56.100 -0.249 0.000 1.021 166 R CB 1.300 31.479 30.300 -0.202 0.000 1.163 166 R HN 0.473 nan 8.270 nan 0.000 0.494 167 R N 1.353 121.737 120.500 -0.194 0.000 2.237 167 R HA -0.067 4.275 4.340 0.004 0.000 0.219 167 R C 1.565 177.799 176.300 -0.109 0.000 1.080 167 R CA 1.284 57.305 56.100 -0.132 0.000 0.995 167 R CB -0.507 29.729 30.300 -0.107 0.000 0.875 167 R HN 0.621 nan 8.270 nan 0.000 0.462 168 I N -1.528 118.957 120.570 -0.143 0.000 3.030 168 I HA 0.036 4.208 4.170 0.004 0.000 0.270 168 I C 0.758 176.760 176.117 -0.191 0.000 1.211 168 I CA 0.615 61.835 61.300 -0.132 0.000 1.479 168 I CB -0.197 37.724 38.000 -0.131 0.000 1.105 168 I HN -0.243 nan 8.210 nan 0.000 0.447 169 D N 2.436 122.640 120.400 -0.326 0.000 2.170 169 D HA -0.212 4.431 4.640 0.004 0.000 0.193 169 D C 1.340 177.292 176.300 -0.581 0.000 1.004 169 D CA 1.941 55.592 54.000 -0.582 0.000 0.860 169 D CB -0.325 39.908 40.800 -0.946 0.000 0.931 169 D HN 0.531 nan 8.370 nan 0.000 0.448 170 F N -0.062 119.957 119.950 0.115 0.000 2.668 170 F HA 0.465 4.994 4.527 0.003 0.000 0.301 170 F C 0.843 176.695 175.800 0.088 0.000 1.106 170 F CA -0.912 57.172 58.000 0.140 0.000 1.289 170 F CB -0.480 38.566 39.000 0.075 0.000 1.006 170 F HN -0.202 nan 8.300 nan 0.000 0.535 171 A N 0.321 123.225 122.820 0.140 0.000 2.561 171 A HA 0.406 4.728 4.320 0.004 0.000 0.234 171 A C 1.619 179.267 177.584 0.107 0.000 1.055 171 A CA 1.120 53.211 52.037 0.091 0.000 0.756 171 A CB -0.564 18.451 19.000 0.026 0.000 0.986 171 A HN 1.036 nan 8.150 nan 0.000 0.505 172 G N 0.643 109.490 108.800 0.079 0.000 2.358 172 G HA2 -0.203 3.760 3.960 0.004 0.000 0.224 172 G HA3 -0.203 3.760 3.960 0.004 0.000 0.224 172 G C 0.204 175.144 174.900 0.067 0.000 1.073 172 G CA 0.167 45.310 45.100 0.072 0.000 0.635 172 G HN 0.924 nan 8.290 nan 0.000 0.509 173 L N 2.168 123.443 121.223 0.087 0.000 2.331 173 L HA 0.492 4.834 4.340 0.004 0.000 0.278 173 L C 1.951 178.825 176.870 0.007 0.000 1.106 173 L CA 0.296 55.158 54.840 0.037 0.000 0.824 173 L CB 1.415 43.490 42.059 0.026 0.000 1.142 173 L HN 0.479 nan 8.230 nan 0.000 0.443 174 T N -2.424 112.119 114.554 -0.018 0.000 3.044 174 T HA 0.125 4.477 4.350 0.004 0.000 0.237 174 T C 0.650 175.311 174.700 -0.065 0.000 1.001 174 T CA 0.337 62.419 62.100 -0.030 0.000 1.160 174 T CB 0.333 69.189 68.868 -0.020 0.000 0.889 174 T HN 0.583 nan 8.240 nan 0.000 0.442 175 S N 0.195 115.849 115.700 -0.077 0.000 2.569 175 S HA 0.797 5.269 4.470 0.004 0.000 0.280 175 S C -1.401 173.123 174.600 -0.127 0.000 1.111 175 S CA -1.013 57.114 58.200 -0.121 0.000 0.887 175 S CB 1.984 65.117 63.200 -0.111 0.000 1.095 175 S HN 0.384 nan 8.310 nan 0.000 0.476 176 L N 1.526 122.646 121.223 -0.171 0.000 2.472 176 L HA 0.494 4.836 4.340 0.004 0.000 0.260 176 L C 0.652 177.464 176.870 -0.097 0.000 0.963 176 L CA -0.770 53.986 54.840 -0.140 0.000 0.829 176 L CB 2.202 44.145 42.059 -0.193 0.000 1.348 176 L HN 0.831 nan 8.230 nan 0.000 0.408 177 N N 0.123 118.831 118.700 0.013 0.000 2.148 177 N HA -0.020 4.723 4.740 0.004 0.000 0.186 177 N C -0.206 175.344 175.510 0.067 0.000 1.031 177 N CA 0.754 53.896 53.050 0.153 0.000 0.848 177 N CB 0.422 38.990 38.487 0.134 0.000 1.005 177 N HN 0.498 nan 8.380 nan 0.000 0.427 178 E N 0.302 120.479 120.200 -0.039 0.000 2.234 178 E HA 0.386 4.739 4.350 0.004 0.000 0.266 178 E C -1.863 174.605 176.600 -0.221 0.000 0.877 178 E CA -0.591 55.729 56.400 -0.134 0.000 0.758 178 E CB 2.090 31.708 29.700 -0.137 0.000 1.170 178 E HN -0.084 nan 8.360 nan 0.000 0.415 179 L N 3.573 124.634 121.223 -0.271 0.000 2.457 179 L HA 0.377 4.719 4.340 0.004 0.000 0.266 179 L C -1.278 175.428 176.870 -0.274 0.000 0.979 179 L CA -0.209 54.454 54.840 -0.294 0.000 0.857 179 L CB 1.619 43.479 42.059 -0.331 0.000 1.213 179 L HN 0.534 nan 8.230 nan 0.000 0.418 180 E N 5.267 125.329 120.200 -0.230 0.000 2.133 180 E HA 0.522 4.874 4.350 0.004 0.000 0.274 180 E C -1.294 175.271 176.600 -0.058 0.000 0.930 180 E CA -0.528 55.784 56.400 -0.147 0.000 0.770 180 E CB 1.183 30.812 29.700 -0.118 0.000 1.104 180 E HN 0.684 nan 8.360 nan 0.000 0.403 181 I N 4.898 125.487 120.570 0.033 0.000 2.420 181 I HA 0.205 4.378 4.170 0.004 0.000 0.282 181 I C -0.417 175.835 176.117 0.224 0.000 1.019 181 I CA -0.734 60.635 61.300 0.114 0.000 1.130 181 I CB 1.426 39.531 38.000 0.174 0.000 1.262 181 I HN 0.322 nan 8.210 nan 0.000 0.454 182 K N 6.060 126.508 120.400 0.080 0.000 2.250 182 K HA 0.584 4.907 4.320 0.004 0.000 0.280 182 K C -0.075 176.602 176.600 0.129 0.000 1.098 182 K CA -0.108 56.137 56.287 -0.071 0.000 0.916 182 K CB 0.686 32.934 32.500 -0.421 0.000 1.209 182 K HN 0.701 nan 8.250 nan 0.000 0.461 183 A N 5.856 128.825 122.820 0.250 0.000 3.253 183 A HA 0.264 4.586 4.320 0.004 0.000 0.290 183 A C 0.310 178.020 177.584 0.210 0.000 0.950 183 A CA -0.532 51.692 52.037 0.312 0.000 0.986 183 A CB -0.165 19.050 19.000 0.358 0.000 1.104 183 A HN 0.857 nan 8.150 nan 0.000 0.481 184 L N -0.426 120.895 121.223 0.164 0.000 2.633 184 L HA -0.028 4.315 4.340 0.004 0.000 0.235 184 L C 1.555 178.498 176.870 0.121 0.000 1.163 184 L CA 1.033 55.955 54.840 0.137 0.000 0.859 184 L CB 0.127 42.248 42.059 0.103 0.000 0.973 184 L HN 0.473 nan 8.230 nan 0.000 0.451 185 S N -0.783 114.992 115.700 0.125 0.000 2.701 185 S HA 0.202 4.675 4.470 0.004 0.000 0.242 185 S C 0.298 174.958 174.600 0.100 0.000 1.025 185 S CA -0.562 57.699 58.200 0.102 0.000 1.016 185 S CB 0.269 63.519 63.200 0.083 0.000 0.977 185 S HN 0.095 nan 8.310 nan 0.000 0.546 186 L N 3.091 124.385 121.223 0.118 0.000 2.653 186 L HA -0.005 4.337 4.340 0.004 0.000 0.288 186 L C 0.922 177.898 176.870 0.177 0.000 1.243 186 L CA 1.268 56.161 54.840 0.088 0.000 0.906 186 L CB 0.240 42.386 42.059 0.145 0.000 1.154 186 L HN 0.137 nan 8.230 nan 0.000 0.498 187 R N 1.956 122.511 120.500 0.092 0.000 2.517 187 R HA 0.262 4.605 4.340 0.004 0.000 0.265 187 R C -0.420 175.968 176.300 0.147 0.000 0.921 187 R CA -0.165 56.053 56.100 0.196 0.000 1.054 187 R CB 0.405 30.762 30.300 0.095 0.000 1.340 187 R HN 0.688 nan 8.270 nan 0.000 0.551 188 N N 0.259 118.824 118.700 -0.225 0.000 2.616 188 N HA 0.031 4.773 4.740 0.004 0.000 0.281 188 N C -2.182 172.957 175.510 -0.619 0.000 1.145 188 N CA -0.553 52.239 53.050 -0.431 0.000 0.919 188 N CB 0.903 39.285 38.487 -0.175 0.000 1.509 188 N HN -0.022 nan 8.380 nan 0.000 0.537 189 Y N 2.640 122.273 120.300 -1.111 0.000 2.334 189 Y HA 0.433 4.984 4.550 0.002 0.000 0.336 189 Y C -0.462 175.261 175.900 -0.296 0.000 0.960 189 Y CA -0.478 57.238 58.100 -0.639 0.000 1.164 189 Y CB 1.029 39.094 38.460 -0.659 0.000 1.155 189 Y HN 0.402 nan 8.280 nan 0.000 0.478 190 Q N 4.211 123.483 119.800 -0.879 0.000 2.294 190 Q HA 0.192 4.534 4.340 0.004 0.000 0.257 190 Q C 0.021 175.587 176.000 -0.722 0.000 0.955 190 Q CA -0.470 54.987 55.803 -0.576 0.000 0.936 190 Q CB 1.286 29.794 28.738 -0.383 0.000 1.188 190 Q HN 0.763 nan 8.270 nan 0.000 0.420 191 S N 3.206 118.743 115.700 -0.272 0.000 2.546 191 S HA -0.087 4.386 4.470 0.004 0.000 0.290 191 S C 0.429 174.996 174.600 -0.056 0.000 1.290 191 S CA 0.501 58.679 58.200 -0.037 0.000 1.069 191 S CB 0.265 63.507 63.200 0.069 0.000 0.846 191 S HN 0.764 nan 8.310 nan 0.000 0.495 192 Q N 1.684 121.514 119.800 0.051 0.000 2.406 192 Q HA -0.142 4.200 4.340 0.004 0.000 0.164 192 Q C 1.399 177.432 176.000 0.054 0.000 0.570 192 Q CA 1.285 57.117 55.803 0.048 0.000 1.324 192 Q CB -2.544 26.198 28.738 0.007 0.000 1.119 192 Q HN 0.721 nan 8.270 nan 0.000 1.026 193 S N 0.758 116.460 115.700 0.002 0.000 2.351 193 S HA -0.077 4.396 4.470 0.004 0.000 0.220 193 S C 1.656 176.447 174.600 0.317 0.000 1.035 193 S CA 1.377 59.627 58.200 0.083 0.000 1.031 193 S CB -0.044 63.121 63.200 -0.059 0.000 0.928 193 S HN 0.261 nan 8.310 nan 0.000 0.433 194 L N 1.642 123.088 121.223 0.371 0.000 2.478 194 L HA 0.149 4.492 4.340 0.004 0.000 0.223 194 L C 2.095 179.021 176.870 0.094 0.000 1.140 194 L CA 1.199 56.165 54.840 0.209 0.000 0.842 194 L CB -1.086 41.040 42.059 0.113 0.000 0.953 194 L HN 0.310 nan 8.230 nan 0.000 0.452 195 K N 0.118 120.583 120.400 0.108 0.000 2.280 195 K HA -0.143 4.180 4.320 0.004 0.000 0.202 195 K C 2.054 178.674 176.600 0.033 0.000 1.047 195 K CA 1.381 57.697 56.287 0.048 0.000 0.942 195 K CB 0.286 32.815 32.500 0.049 0.000 0.739 195 K HN 0.392 nan 8.250 nan 0.000 0.457 196 S N 0.317 116.053 115.700 0.060 0.000 2.453 196 S HA -0.013 4.460 4.470 0.004 0.000 0.231 196 S C 0.893 175.508 174.600 0.024 0.000 1.005 196 S CA 0.154 58.382 58.200 0.047 0.000 0.949 196 S CB -0.456 62.788 63.200 0.073 0.000 0.774 196 S HN 0.182 nan 8.310 nan 0.000 0.510 197 I N 2.055 122.627 120.570 0.004 0.000 2.471 197 I HA 0.264 4.437 4.170 0.004 0.000 0.286 197 I C 1.699 177.778 176.117 -0.063 0.000 1.079 197 I CA -0.430 60.842 61.300 -0.046 0.000 1.398 197 I CB 0.703 38.634 38.000 -0.114 0.000 1.403 197 I HN 0.052 nan 8.210 nan 0.000 0.530 198 R N 3.288 123.751 120.500 -0.062 0.000 2.075 198 R HA 0.026 4.368 4.340 0.004 0.000 0.226 198 R C -0.295 175.947 176.300 -0.096 0.000 1.114 198 R CA 1.042 57.103 56.100 -0.064 0.000 0.972 198 R CB 0.290 30.562 30.300 -0.047 0.000 0.869 198 R HN 0.686 nan 8.270 nan 0.000 0.437 199 D N -0.255 120.062 120.400 -0.138 0.000 2.855 199 D HA 0.290 4.933 4.640 0.004 0.000 0.241 199 D C -0.950 175.171 176.300 -0.299 0.000 1.277 199 D CA -0.299 53.570 54.000 -0.218 0.000 0.918 199 D CB 2.312 42.964 40.800 -0.247 0.000 1.462 199 D HN 0.040 nan 8.370 nan 0.000 0.559 200 I N 1.607 121.994 120.570 -0.304 0.000 2.468 200 I HA 0.168 4.340 4.170 0.004 0.000 0.284 200 I C 0.816 176.790 176.117 -0.238 0.000 1.038 200 I CA -0.534 60.600 61.300 -0.275 0.000 1.083 200 I CB 1.676 39.552 38.000 -0.207 0.000 1.223 200 I HN 0.383 nan 8.210 nan 0.000 0.443 201 H N 2.991 122.054 119.070 -0.011 0.000 2.363 201 H HA 0.010 4.569 4.556 0.004 0.000 0.301 201 H C 0.422 175.812 175.328 0.103 0.000 1.074 201 H CA 1.221 57.294 56.048 0.042 0.000 1.354 201 H CB 0.272 30.065 29.762 0.051 0.000 1.397 201 H HN 0.512 nan 8.280 nan 0.000 0.516 202 H N -0.173 118.910 119.070 0.022 0.000 2.906 202 H HA 0.300 4.858 4.556 0.003 0.000 0.324 202 H C -1.592 173.592 175.328 -0.240 0.000 0.973 202 H CA -1.139 54.815 56.048 -0.156 0.000 1.321 202 H CB 0.935 30.627 29.762 -0.116 0.000 1.535 202 H HN 0.050 nan 8.280 nan 0.000 0.518 203 L N 5.526 126.688 121.223 -0.101 0.000 2.294 203 L HA 0.372 4.715 4.340 0.004 0.000 0.283 203 L C -0.852 175.874 176.870 -0.240 0.000 1.015 203 L CA -0.067 54.650 54.840 -0.204 0.000 0.831 203 L CB 1.493 43.449 42.059 -0.173 0.000 1.217 203 L HN 0.543 nan 8.230 nan 0.000 0.420 204 T N 6.627 120.996 114.554 -0.310 0.000 2.749 204 T HA 0.567 4.920 4.350 0.004 0.000 0.287 204 T C -0.283 174.299 174.700 -0.196 0.000 0.970 204 T CA -0.237 61.689 62.100 -0.291 0.000 0.980 204 T CB 0.649 69.313 68.868 -0.340 0.000 0.924 204 T HN 0.437 nan 8.240 nan 0.000 0.456 205 L N 3.992 125.090 121.223 -0.209 0.000 2.341 205 L HA 0.463 4.805 4.340 0.004 0.000 0.278 205 L C -0.065 176.720 176.870 -0.141 0.000 1.005 205 L CA -0.925 53.859 54.840 -0.092 0.000 0.818 205 L CB 1.521 43.538 42.059 -0.069 0.000 1.259 205 L HN 0.624 nan 8.230 nan 0.000 0.418 206 H N 5.529 124.607 119.070 0.012 0.000 2.638 206 H HA 0.481 5.039 4.556 0.004 0.000 0.303 206 H C -0.885 174.483 175.328 0.067 0.000 1.034 206 H CA -0.467 55.602 56.048 0.034 0.000 1.225 206 H CB 1.706 31.492 29.762 0.039 0.000 1.394 206 H HN 0.328 nan 8.280 nan 0.000 0.477 207 L N 1.946 123.259 121.223 0.150 0.000 2.410 207 L HA 0.146 4.488 4.340 0.004 0.000 0.270 207 L C 1.153 178.099 176.870 0.127 0.000 0.983 207 L CA -0.503 54.423 54.840 0.143 0.000 0.822 207 L CB 2.284 44.414 42.059 0.119 0.000 1.285 207 L HN 0.545 nan 8.230 nan 0.000 0.409 208 S N -0.040 115.737 115.700 0.129 0.000 2.486 208 S HA 0.175 4.647 4.470 0.004 0.000 0.220 208 S C 0.441 175.099 174.600 0.096 0.000 1.011 208 S CA -0.041 58.223 58.200 0.107 0.000 0.921 208 S CB 0.347 63.606 63.200 0.098 0.000 0.785 208 S HN 0.619 nan 8.310 nan 0.000 0.517 209 E N 0.769 121.031 120.200 0.104 0.000 2.410 209 E HA 0.548 4.900 4.350 0.004 0.000 0.269 209 E C 0.230 176.889 176.600 0.098 0.000 0.937 209 E CA -0.173 56.279 56.400 0.087 0.000 0.793 209 E CB 1.912 31.648 29.700 0.061 0.000 1.314 209 E HN 0.128 nan 8.360 nan 0.000 0.447 210 S N 0.018 115.780 115.700 0.104 0.000 2.593 210 S HA 0.115 4.588 4.470 0.004 0.000 0.217 210 S C 1.751 176.410 174.600 0.099 0.000 0.966 210 S CA 0.343 58.644 58.200 0.169 0.000 0.914 210 S CB -0.062 63.331 63.200 0.322 0.000 0.776 210 S HN 0.538 nan 8.310 nan 0.000 0.523 211 A N 2.227 125.019 122.820 -0.047 0.000 1.893 211 A HA -0.180 4.142 4.320 0.004 0.000 0.222 211 A C 1.424 178.719 177.584 -0.482 0.000 1.309 211 A CA 2.035 53.863 52.037 -0.348 0.000 0.681 211 A CB -1.148 17.527 19.000 -0.543 0.000 0.842 211 A HN 0.675 nan 8.150 nan 0.000 0.468 212 F N -1.745 118.261 119.950 0.093 0.000 2.654 212 F HA 0.299 4.828 4.527 0.004 0.000 0.303 212 F C 1.353 177.175 175.800 0.037 0.000 1.099 212 F CA -0.245 57.800 58.000 0.076 0.000 1.270 212 F CB 0.187 39.236 39.000 0.081 0.000 1.024 212 F HN 0.178 nan 8.300 nan 0.000 0.548 213 L N 0.607 121.953 121.223 0.205 0.000 2.013 213 L HA -0.219 4.124 4.340 0.004 0.000 0.212 213 L C 2.119 179.123 176.870 0.225 0.000 1.073 213 L CA 1.932 56.880 54.840 0.180 0.000 0.753 213 L CB -0.682 41.483 42.059 0.176 0.000 0.890 213 L HN 0.254 nan 8.230 nan 0.000 0.432 214 L N -0.896 120.493 121.223 0.276 0.000 2.013 214 L HA -0.288 4.054 4.340 0.004 0.000 0.212 214 L C 2.498 179.493 176.870 0.210 0.000 1.073 214 L CA 1.882 56.872 54.840 0.249 0.000 0.753 214 L CB -0.379 41.768 42.059 0.147 0.000 0.890 214 L HN 0.366 nan 8.230 nan 0.000 0.432 215 E N -0.276 120.034 120.200 0.183 0.000 2.112 215 E HA -0.139 4.213 4.350 0.004 0.000 0.190 215 E C 2.155 178.808 176.600 0.088 0.000 0.979 215 E CA 0.865 57.374 56.400 0.183 0.000 0.814 215 E CB -0.023 29.862 29.700 0.309 0.000 0.762 215 E HN 0.421 nan 8.360 nan 0.000 0.460 216 I N 0.388 120.893 120.570 -0.108 0.000 2.179 216 I HA -0.252 3.920 4.170 0.004 0.000 0.242 216 I C 2.091 178.195 176.117 -0.022 0.000 1.088 216 I CA 0.913 62.038 61.300 -0.291 0.000 1.357 216 I CB -0.196 37.576 38.000 -0.381 0.000 1.051 216 I HN 0.079 nan 8.210 nan 0.000 0.409 217 F N 1.767 121.674 119.950 -0.072 0.000 2.091 217 F HA -0.311 4.222 4.527 0.010 0.000 0.299 217 F C 2.505 178.276 175.800 -0.049 0.000 1.103 217 F CA 1.550 59.524 58.000 -0.042 0.000 1.228 217 F CB -0.480 38.528 39.000 0.013 0.000 0.984 217 F HN 0.033 nan 8.300 nan 0.000 0.477 218 A N -0.288 122.571 122.820 0.065 0.000 1.940 218 A HA -0.230 4.093 4.320 0.004 0.000 0.219 218 A C 1.791 179.323 177.584 -0.087 0.000 1.176 218 A CA 2.089 54.091 52.037 -0.058 0.000 0.631 218 A CB -0.952 18.055 19.000 0.011 0.000 0.814 218 A HN 0.446 nan 8.150 nan 0.000 0.446 219 D N -0.513 119.872 120.400 -0.024 0.000 2.363 219 D HA -0.003 4.639 4.640 0.004 0.000 0.220 219 D C 1.419 177.682 176.300 -0.063 0.000 0.994 219 D CA 1.076 55.079 54.000 0.004 0.000 0.890 219 D CB -0.103 40.774 40.800 0.129 0.000 0.906 219 D HN 0.788 nan 8.370 nan 0.000 0.530 220 I N -3.337 117.140 120.570 -0.155 0.000 4.081 220 I HA 0.180 4.352 4.170 0.004 0.000 0.333 220 I C 1.326 177.306 176.117 -0.228 0.000 1.413 220 I CA -0.178 61.014 61.300 -0.180 0.000 1.110 220 I CB 0.020 37.906 38.000 -0.191 0.000 1.082 220 I HN -0.212 nan 8.210 nan 0.000 0.402 221 L N 0.848 121.910 121.223 -0.268 0.000 2.189 221 L HA -0.125 4.218 4.340 0.004 0.000 0.214 221 L C 2.104 178.896 176.870 -0.129 0.000 1.097 221 L CA 1.386 56.078 54.840 -0.247 0.000 0.764 221 L CB -0.371 41.557 42.059 -0.219 0.000 0.900 221 L HN 0.350 nan 8.230 nan 0.000 0.436 222 S N -1.675 113.966 115.700 -0.098 0.000 2.511 222 S HA 0.006 4.479 4.470 0.004 0.000 0.214 222 S C 1.846 176.406 174.600 -0.067 0.000 0.997 222 S CA 0.630 58.793 58.200 -0.062 0.000 0.908 222 S CB 0.436 63.610 63.200 -0.043 0.000 0.803 222 S HN 0.564 nan 8.310 nan 0.000 0.504 223 S N 0.041 115.687 115.700 -0.091 0.000 2.599 223 S HA 0.227 4.700 4.470 0.004 0.000 0.236 223 S C 0.458 174.991 174.600 -0.110 0.000 1.077 223 S CA -0.235 57.904 58.200 -0.102 0.000 0.906 223 S CB -0.177 62.955 63.200 -0.113 0.000 0.804 223 S HN 0.106 nan 8.310 nan 0.000 0.497 224 V N 4.464 124.314 119.914 -0.108 0.000 2.427 224 V HA 0.327 4.449 4.120 0.004 0.000 0.268 224 V C 1.162 177.244 176.094 -0.020 0.000 1.046 224 V CA -0.490 61.762 62.300 -0.080 0.000 0.970 224 V CB 0.872 32.635 31.823 -0.101 0.000 1.001 224 V HN 0.417 nan 8.190 nan 0.000 0.476 225 R N 3.658 124.183 120.500 0.042 0.000 2.210 225 R HA 0.090 4.433 4.340 0.004 0.000 0.203 225 R C 0.179 176.567 176.300 0.148 0.000 1.010 225 R CA 0.621 56.778 56.100 0.095 0.000 1.008 225 R CB 0.327 30.727 30.300 0.166 0.000 0.923 225 R HN 0.758 nan 8.270 nan 0.000 0.469 226 Y N 0.815 121.102 120.300 -0.022 0.000 2.301 226 Y HA 0.329 4.881 4.550 0.002 0.000 0.325 226 Y C -1.672 174.202 175.900 -0.044 0.000 1.103 226 Y CA -1.442 56.619 58.100 -0.066 0.000 1.182 226 Y CB 1.256 39.635 38.460 -0.135 0.000 1.139 226 Y HN -0.128 nan 8.280 nan 0.000 0.443 227 L N 6.393 127.679 121.223 0.105 0.000 2.307 227 L HA 0.531 4.873 4.340 0.004 0.000 0.284 227 L C -1.072 175.689 176.870 -0.182 0.000 1.023 227 L CA -0.140 54.644 54.840 -0.094 0.000 0.810 227 L CB 1.689 43.719 42.059 -0.048 0.000 1.231 227 L HN 0.760 nan 8.230 nan 0.000 0.423 228 E N 4.940 124.970 120.200 -0.284 0.000 2.218 228 E HA 0.413 4.765 4.350 0.004 0.000 0.263 228 E C -1.868 174.557 176.600 -0.293 0.000 0.879 228 E CA -0.766 55.468 56.400 -0.277 0.000 0.762 228 E CB 1.225 30.771 29.700 -0.256 0.000 1.166 228 E HN 0.532 nan 8.360 nan 0.000 0.415 229 L N 4.484 125.491 121.223 -0.360 0.000 2.296 229 L HA 0.510 4.853 4.340 0.004 0.000 0.286 229 L C 0.014 176.776 176.870 -0.179 0.000 1.023 229 L CA -0.339 54.330 54.840 -0.284 0.000 0.812 229 L CB 1.224 43.076 42.059 -0.344 0.000 1.223 229 L HN 0.633 nan 8.230 nan 0.000 0.421 230 R N 2.852 123.250 120.500 -0.170 0.000 2.589 230 R HA 0.334 4.677 4.340 0.004 0.000 0.293 230 R C -0.513 175.797 176.300 0.018 0.000 0.963 230 R CA -0.806 55.235 56.100 -0.099 0.000 0.905 230 R CB 1.374 31.529 30.300 -0.243 0.000 1.144 230 R HN 0.579 nan 8.270 nan 0.000 0.459 231 D N 0.923 121.364 120.400 0.068 0.000 2.701 231 D HA -0.138 4.505 4.640 0.004 0.000 0.235 231 D C -0.818 175.541 176.300 0.097 0.000 1.155 231 D CA 1.365 55.421 54.000 0.094 0.000 0.649 231 D CB -0.950 39.916 40.800 0.110 0.000 1.050 231 D HN 0.511 nan 8.370 nan 0.000 0.425 232 T N 0.820 115.436 114.554 0.103 0.000 2.795 232 T HA 0.276 4.629 4.350 0.004 0.000 0.282 232 T C 0.496 175.259 174.700 0.106 0.000 0.980 232 T CA -0.704 61.459 62.100 0.104 0.000 1.012 232 T CB 1.589 70.519 68.868 0.104 0.000 0.936 232 T HN 0.173 nan 8.240 nan 0.000 0.457 233 N N 3.093 121.848 118.700 0.092 0.000 2.401 233 N HA 0.219 4.961 4.740 0.004 0.000 0.255 233 N C 0.396 175.964 175.510 0.097 0.000 1.110 233 N CA -0.332 52.768 53.050 0.082 0.000 0.949 233 N CB 0.208 38.735 38.487 0.066 0.000 1.110 233 N HN 0.544 nan 8.380 nan 0.000 0.490 234 L N 3.383 124.668 121.223 0.102 0.000 2.728 234 L HA 0.301 4.644 4.340 0.004 0.000 0.238 234 L C 1.986 178.942 176.870 0.144 0.000 1.143 234 L CA -0.140 54.773 54.840 0.121 0.000 0.937 234 L CB 0.079 42.180 42.059 0.070 0.000 1.225 234 L HN 0.644 nan 8.230 nan 0.000 0.507 235 A N 0.703 123.583 122.820 0.100 0.000 2.032 235 A HA -0.153 4.169 4.320 0.004 0.000 0.221 235 A C 2.031 179.663 177.584 0.080 0.000 1.165 235 A CA 1.443 53.526 52.037 0.077 0.000 0.645 235 A CB -0.268 18.758 19.000 0.042 0.000 0.807 235 A HN 0.434 nan 8.150 nan 0.000 0.453 236 R N -2.002 118.554 120.500 0.095 0.000 2.586 236 R HA 0.239 4.581 4.340 0.004 0.000 0.336 236 R C -0.513 175.846 176.300 0.099 0.000 1.060 236 R CA -0.508 55.631 56.100 0.065 0.000 1.079 236 R CB -0.022 30.294 30.300 0.025 0.000 1.317 236 R HN 0.459 nan 8.270 nan 0.000 0.568 237 F N 2.108 122.071 119.950 0.021 0.000 2.459 237 F HA 0.096 4.625 4.527 0.003 0.000 0.346 237 F C 0.014 175.847 175.800 0.055 0.000 1.128 237 F CA 0.534 58.554 58.000 0.034 0.000 1.268 237 F CB 0.657 39.685 39.000 0.047 0.000 1.161 237 F HN -0.063 nan 8.300 nan 0.000 0.583 238 Q N 5.099 124.319 119.800 -0.967 0.000 2.389 238 Q HA 0.346 4.689 4.340 0.004 0.000 0.277 238 Q C -1.798 173.702 176.000 -0.833 0.000 1.082 238 Q CA -0.951 54.489 55.803 -0.606 0.000 0.810 238 Q CB 2.997 31.569 28.738 -0.277 0.000 1.374 238 Q HN 0.699 nan 8.270 nan 0.000 0.422 239 F N 1.281 120.967 119.950 -0.441 0.000 2.458 239 F HA 0.709 5.238 4.527 0.002 0.000 0.330 239 F C -0.787 174.962 175.800 -0.084 0.000 1.082 239 F CA -0.265 57.603 58.000 -0.220 0.000 0.995 239 F CB 1.564 40.577 39.000 0.021 0.000 1.170 239 F HN 0.511 nan 8.300 nan 0.000 0.478 240 S N 4.170 119.240 115.700 -1.051 0.000 2.543 240 S HA 0.585 5.058 4.470 0.004 0.000 0.271 240 S C -3.204 170.770 174.600 -1.044 0.000 1.148 240 S CA -1.467 56.257 58.200 -0.792 0.000 0.914 240 S CB 1.534 64.521 63.200 -0.355 0.000 1.096 240 S HN 0.418 nan 8.310 nan 0.000 0.471 241 P HA 0.104 nan 4.420 nan 0.000 0.266 241 P C -0.875 176.351 177.300 -0.122 0.000 1.180 241 P CA 0.032 63.000 63.100 -0.219 0.000 0.765 241 P CB 0.236 31.945 31.700 0.014 0.000 0.806 242 L N 5.303 126.543 121.223 0.028 0.000 2.276 242 L HA 0.305 4.647 4.340 0.004 0.000 0.286 242 L C -1.545 175.325 176.870 -0.001 0.000 1.061 242 L CA -1.893 52.906 54.840 -0.068 0.000 0.807 242 L CB 0.763 42.657 42.059 -0.276 0.000 1.177 242 L HN 0.275 nan 8.230 nan 0.000 0.429 243 P HA 0.076 nan 4.420 nan 0.000 0.241 243 P C -0.601 176.709 177.300 0.017 0.000 1.760 243 P CA 0.123 63.233 63.100 0.018 0.000 1.081 243 P CB -0.046 31.661 31.700 0.012 0.000 1.975 244 V N -0.867 119.066 119.914 0.031 0.000 3.141 244 V HA 0.595 4.718 4.120 0.004 0.000 0.312 244 V C -0.580 175.553 176.094 0.066 0.000 1.157 244 V CA -1.236 61.080 62.300 0.027 0.000 1.041 244 V CB 2.007 33.818 31.823 -0.019 0.000 1.071 244 V HN -0.066 nan 8.190 nan 0.000 0.441 245 D N 0.643 121.076 120.400 0.055 0.000 2.264 245 D HA 0.352 4.994 4.640 0.004 0.000 0.249 245 D C -0.299 176.055 176.300 0.089 0.000 1.070 245 D CA -0.249 53.789 54.000 0.064 0.000 0.912 245 D CB 1.017 41.843 40.800 0.042 0.000 1.193 245 D HN 0.731 nan 8.370 nan 0.000 0.427 246 E N 1.109 121.364 120.200 0.091 0.000 2.059 246 E HA 0.154 4.507 4.350 0.004 0.000 0.262 246 E C -0.757 175.887 176.600 0.073 0.000 1.230 246 E CA -0.035 56.425 56.400 0.100 0.000 0.951 246 E CB 0.418 30.165 29.700 0.078 0.000 1.038 246 E HN 0.094 nan 8.360 nan 0.000 0.425 247 V N 2.163 122.124 119.914 0.079 0.000 2.815 247 V HA 0.166 4.288 4.120 0.004 0.000 0.314 247 V C 0.162 176.288 176.094 0.053 0.000 1.064 247 V CA -0.836 61.495 62.300 0.052 0.000 0.952 247 V CB 2.183 34.026 31.823 0.033 0.000 1.020 247 V HN 0.507 nan 8.190 nan 0.000 0.439 248 S N 2.516 118.238 115.700 0.036 0.000 2.455 248 S HA 0.203 4.676 4.470 0.004 0.000 0.278 248 S C 0.179 174.794 174.600 0.024 0.000 1.216 248 S CA -0.089 58.131 58.200 0.033 0.000 1.055 248 S CB 0.386 63.600 63.200 0.024 0.000 0.939 248 S HN 0.941 nan 8.310 nan 0.000 0.494 249 S N 5.650 121.368 115.700 0.030 0.000 2.537 249 S HA 0.466 4.938 4.470 0.004 0.000 0.275 249 S C -1.597 173.008 174.600 0.008 0.000 1.272 249 S CA -1.427 56.778 58.200 0.008 0.000 1.050 249 S CB 0.892 64.099 63.200 0.012 0.000 0.961 249 S HN 0.734 nan 8.310 nan 0.000 0.496 250 P HA 0.118 nan 4.420 nan 0.000 0.257 250 P C 0.220 177.531 177.300 0.017 0.000 1.281 250 P CA -0.046 63.059 63.100 0.009 0.000 0.826 250 P CB -0.063 31.642 31.700 0.007 0.000 1.237 251 M N 0.956 120.563 119.600 0.012 0.000 2.268 251 M HA 0.021 4.504 4.480 0.004 0.000 0.349 251 M C 0.947 177.268 176.300 0.034 0.000 1.485 251 M CA 0.461 55.778 55.300 0.029 0.000 1.094 251 M CB 0.658 33.276 32.600 0.030 0.000 1.843 251 M HN -0.274 nan 8.290 nan 0.000 0.460 252 K N 3.352 123.768 120.400 0.026 0.000 2.399 252 K HA 0.218 4.541 4.320 0.004 0.000 0.196 252 K C -0.084 176.497 176.600 -0.030 0.000 1.117 252 K CA 0.534 56.819 56.287 -0.004 0.000 0.965 252 K CB 0.577 33.061 32.500 -0.026 0.000 0.983 252 K HN 0.541 nan 8.250 nan 0.000 0.531 253 K N 1.056 121.438 120.400 -0.028 0.000 2.443 253 K HA 0.342 4.664 4.320 0.004 0.000 0.252 253 K C -1.732 174.905 176.600 0.063 0.000 0.933 253 K CA -0.712 55.525 56.287 -0.084 0.000 0.792 253 K CB 1.397 33.653 32.500 -0.407 0.000 1.185 253 K HN -0.119 nan 8.250 nan 0.000 0.425 254 L N 3.360 124.601 121.223 0.030 0.000 2.372 254 L HA 0.693 5.035 4.340 0.004 0.000 0.274 254 L C -1.654 175.171 176.870 -0.075 0.000 0.988 254 L CA -0.115 54.730 54.840 0.008 0.000 0.833 254 L CB 1.627 43.715 42.059 0.047 0.000 1.236 254 L HN 0.695 nan 8.230 nan 0.000 0.410 255 A N 4.583 127.321 122.820 -0.136 0.000 2.343 255 A HA 0.804 5.126 4.320 0.004 0.000 0.316 255 A C -1.526 175.846 177.584 -0.354 0.000 1.104 255 A CA -0.315 51.634 52.037 -0.146 0.000 0.768 255 A CB 0.595 19.636 19.000 0.069 0.000 1.213 255 A HN 0.527 nan 8.150 nan 0.000 0.456 256 F N 2.495 122.289 119.950 -0.260 0.000 2.426 256 F HA 0.499 5.029 4.527 0.005 0.000 0.348 256 F C 1.328 177.119 175.800 -0.014 0.000 1.124 256 F CA -0.696 57.229 58.000 -0.125 0.000 1.008 256 F CB 1.644 40.589 39.000 -0.092 0.000 1.139 256 F HN 0.609 nan 8.300 nan 0.000 0.452 257 R N 2.185 122.762 120.500 0.129 0.000 2.033 257 R HA 0.199 4.541 4.340 0.004 0.000 0.219 257 R C 1.195 177.590 176.300 0.157 0.000 1.223 257 R CA 0.816 56.990 56.100 0.123 0.000 0.971 257 R CB -0.730 29.603 30.300 0.056 0.000 0.855 257 R HN 0.708 nan 8.270 nan 0.000 0.452 258 G N 1.634 110.513 108.800 0.132 0.000 4.873 258 G HA2 0.295 4.258 3.960 0.004 0.000 0.314 258 G HA3 0.295 4.258 3.960 0.004 0.000 0.314 258 G C -0.653 174.327 174.900 0.134 0.000 1.426 258 G CA -0.266 44.910 45.100 0.126 0.000 1.136 258 G HN 0.035 nan 8.290 nan 0.000 0.589 259 S N -0.527 115.284 115.700 0.186 0.000 2.632 259 S HA 0.509 4.981 4.470 0.004 0.000 0.271 259 S C 0.044 174.721 174.600 0.129 0.000 1.260 259 S CA -0.431 57.877 58.200 0.181 0.000 1.010 259 S CB 2.271 65.632 63.200 0.269 0.000 0.965 259 S HN 0.128 nan 8.310 nan 0.000 0.534 260 V N 3.274 123.248 119.914 0.101 0.000 2.334 260 V HA 0.415 4.538 4.120 0.004 0.000 0.281 260 V C -0.308 175.825 176.094 0.065 0.000 1.016 260 V CA -0.354 61.985 62.300 0.065 0.000 0.832 260 V CB 0.439 32.290 31.823 0.047 0.000 0.999 260 V HN 0.671 nan 8.190 nan 0.000 0.439 261 L N 4.046 125.299 121.223 0.049 0.000 2.298 261 L HA 0.876 5.218 4.340 0.004 0.000 0.268 261 L C 0.356 177.238 176.870 0.019 0.000 1.010 261 L CA -0.439 54.434 54.840 0.055 0.000 0.812 261 L CB 2.647 44.753 42.059 0.078 0.000 1.331 261 L HN 0.745 nan 8.230 nan 0.000 0.450 262 T N -4.783 109.796 114.554 0.041 0.000 2.896 262 T HA 0.210 4.562 4.350 0.004 0.000 0.297 262 T C 0.154 174.878 174.700 0.040 0.000 1.108 262 T CA -0.674 61.427 62.100 0.002 0.000 1.004 262 T CB 1.807 70.673 68.868 -0.003 0.000 1.159 262 T HN 0.540 nan 8.240 nan 0.000 0.499 263 D N 0.226 120.620 120.400 -0.009 0.000 2.149 263 D HA -0.165 4.478 4.640 0.004 0.000 0.198 263 D C 1.662 178.081 176.300 0.199 0.000 0.990 263 D CA 1.717 55.747 54.000 0.051 0.000 0.839 263 D CB 0.101 40.909 40.800 0.013 0.000 0.948 263 D HN 0.826 nan 8.370 nan 0.000 0.460 264 E N -0.587 119.679 120.200 0.111 0.000 2.107 264 E HA -0.119 4.234 4.350 0.004 0.000 0.191 264 E C 1.931 178.665 176.600 0.224 0.000 0.982 264 E CA 1.327 57.769 56.400 0.071 0.000 0.809 264 E CB 0.031 29.542 29.700 -0.315 0.000 0.756 264 E HN 0.319 nan 8.360 nan 0.000 0.459 265 S N -0.135 115.670 115.700 0.174 0.000 2.414 265 S HA -0.112 4.360 4.470 0.004 0.000 0.227 265 S C 1.862 176.606 174.600 0.239 0.000 1.022 265 S CA 0.383 58.726 58.200 0.237 0.000 0.958 265 S CB -0.599 62.722 63.200 0.202 0.000 0.797 265 S HN 0.364 nan 8.310 nan 0.000 0.493 266 F N 3.628 123.619 119.950 0.068 0.000 2.120 266 F HA -0.140 4.390 4.527 0.006 0.000 0.300 266 F C 2.375 178.198 175.800 0.039 0.000 1.095 266 F CA 1.787 59.782 58.000 -0.009 0.000 1.249 266 F CB -0.520 38.434 39.000 -0.078 0.000 0.995 266 F HN 0.287 nan 8.300 nan 0.000 0.480 267 N N -0.008 118.844 118.700 0.254 0.000 2.244 267 N HA -0.179 4.563 4.740 0.004 0.000 0.183 267 N C 1.666 177.202 175.510 0.043 0.000 1.016 267 N CA 1.163 54.284 53.050 0.119 0.000 0.866 267 N CB -0.063 38.494 38.487 0.118 0.000 0.980 267 N HN 0.319 nan 8.380 nan 0.000 0.430 268 E N 1.089 121.418 120.200 0.216 0.000 2.110 268 E HA -0.109 4.243 4.350 0.004 0.000 0.193 268 E C 2.174 178.897 176.600 0.204 0.000 0.988 268 E CA 0.438 56.991 56.400 0.255 0.000 0.804 268 E CB -0.260 29.678 29.700 0.397 0.000 0.745 268 E HN 0.463 nan 8.360 nan 0.000 0.458 269 L N 0.350 121.611 121.223 0.063 0.000 2.141 269 L HA -0.115 4.228 4.340 0.004 0.000 0.209 269 L C 2.461 179.166 176.870 -0.276 0.000 1.094 269 L CA 0.547 55.274 54.840 -0.187 0.000 0.763 269 L CB -0.270 41.517 42.059 -0.454 0.000 0.908 269 L HN 0.096 nan 8.230 nan 0.000 0.437 270 L N -0.464 120.566 121.223 -0.322 0.000 2.191 270 L HA -0.206 4.136 4.340 0.004 0.000 0.212 270 L C 2.378 179.097 176.870 -0.252 0.000 1.103 270 L CA 1.108 55.787 54.840 -0.268 0.000 0.769 270 L CB -0.410 41.522 42.059 -0.212 0.000 0.908 270 L HN 0.243 nan 8.230 nan 0.000 0.438 271 K N 0.184 120.359 120.400 -0.376 0.000 2.280 271 K HA -0.108 4.214 4.320 0.004 0.000 0.202 271 K C 1.907 178.172 176.600 -0.559 0.000 1.047 271 K CA 0.874 56.789 56.287 -0.620 0.000 0.942 271 K CB -0.085 31.693 32.500 -1.203 0.000 0.739 271 K HN 0.312 nan 8.250 nan 0.000 0.457 272 L N 0.864 121.892 121.223 -0.325 0.000 2.456 272 L HA -0.119 4.224 4.340 0.004 0.000 0.224 272 L C 1.778 178.772 176.870 0.206 0.000 1.148 272 L CA 0.564 55.436 54.840 0.053 0.000 0.825 272 L CB -0.334 41.563 42.059 -0.270 0.000 0.937 272 L HN 0.204 nan 8.230 nan 0.000 0.450 273 L N 0.162 121.401 121.223 0.026 0.000 2.551 273 L HA -0.115 4.227 4.340 0.004 0.000 0.228 273 L C 2.583 179.473 176.870 0.034 0.000 1.153 273 L CA 0.557 55.439 54.840 0.070 0.000 0.851 273 L CB -0.391 41.676 42.059 0.014 0.000 0.959 273 L HN 0.401 nan 8.230 nan 0.000 0.451 274 R N -1.316 119.135 120.500 -0.081 0.000 2.307 274 R HA -0.116 4.227 4.340 0.004 0.000 0.199 274 R C 0.970 177.118 176.300 -0.254 0.000 1.000 274 R CA 1.020 56.988 56.100 -0.220 0.000 1.023 274 R CB -0.262 29.806 30.300 -0.388 0.000 0.908 274 R HN 0.338 nan 8.270 nan 0.000 0.473 275 Y N 1.043 121.442 120.300 0.165 0.000 2.430 275 Y HA 0.329 4.880 4.550 0.001 0.000 0.248 275 Y C 1.037 177.005 175.900 0.114 0.000 1.108 275 Y CA -0.787 57.413 58.100 0.167 0.000 1.264 275 Y CB 0.918 39.542 38.460 0.274 0.000 1.172 275 Y HN 0.046 nan 8.280 nan 0.000 0.520 276 I N -2.063 118.661 120.570 0.256 0.000 2.954 276 I HA 0.230 4.402 4.170 0.004 0.000 0.312 276 I C 0.194 176.374 176.117 0.105 0.000 1.391 276 I CA -0.218 61.182 61.300 0.167 0.000 0.906 276 I CB 0.007 38.130 38.000 0.206 0.000 2.079 276 I HN 0.057 nan 8.210 nan 0.000 0.618 277 L N 0.743 122.012 121.223 0.078 0.000 2.263 277 L HA -0.090 4.253 4.340 0.004 0.000 0.216 277 L C 1.700 178.595 176.870 0.042 0.000 1.111 277 L CA 1.253 56.122 54.840 0.048 0.000 0.773 277 L CB -0.346 41.734 42.059 0.035 0.000 0.906 277 L HN 0.543 nan 8.230 nan 0.000 0.439 278 E N -0.046 120.180 120.200 0.043 0.000 2.444 278 E HA 0.124 4.477 4.350 0.004 0.000 0.191 278 E C 0.553 177.172 176.600 0.032 0.000 1.041 278 E CA -0.232 56.187 56.400 0.031 0.000 0.883 278 E CB 0.236 29.951 29.700 0.024 0.000 1.024 278 E HN 0.175 nan 8.360 nan 0.000 0.470 279 L N 2.479 123.731 121.223 0.047 0.000 2.540 279 L HA -0.024 4.319 4.340 0.004 0.000 0.276 279 L C 0.932 177.822 176.870 0.034 0.000 1.212 279 L CA 1.062 55.931 54.840 0.049 0.000 0.893 279 L CB 0.523 42.630 42.059 0.079 0.000 1.138 279 L HN 0.027 nan 8.230 nan 0.000 0.491 280 S N 2.843 118.552 115.700 0.015 0.000 2.787 280 S HA 0.221 4.694 4.470 0.004 0.000 0.255 280 S C 0.140 174.741 174.600 0.001 0.000 1.051 280 S CA -0.409 57.796 58.200 0.008 0.000 1.124 280 S CB 0.490 63.685 63.200 -0.008 0.000 1.104 280 S HN 0.753 nan 8.310 nan 0.000 0.623 281 E N 0.638 120.834 120.200 -0.008 0.000 2.304 281 E HA 0.589 4.941 4.350 0.004 0.000 0.277 281 E C -1.967 174.629 176.600 -0.007 0.000 0.898 281 E CA -0.721 55.666 56.400 -0.022 0.000 0.764 281 E CB 2.333 31.982 29.700 -0.086 0.000 1.216 281 E HN 0.142 nan 8.360 nan 0.000 0.419 282 V N 3.489 123.421 119.914 0.029 0.000 2.638 282 V HA 0.447 4.569 4.120 0.004 0.000 0.306 282 V C -0.606 175.488 176.094 0.001 0.000 1.052 282 V CA -0.785 61.529 62.300 0.024 0.000 0.885 282 V CB 1.843 33.742 31.823 0.128 0.000 0.999 282 V HN 0.715 nan 8.190 nan 0.000 0.424 283 E N 3.045 123.173 120.200 -0.121 0.000 2.256 283 E HA 0.684 5.037 4.350 0.004 0.000 0.267 283 E C -1.869 174.571 176.600 -0.266 0.000 0.892 283 E CA -0.606 55.755 56.400 -0.065 0.000 0.775 283 E CB 2.791 32.485 29.700 -0.010 0.000 1.207 283 E HN 0.537 nan 8.360 nan 0.000 0.420 284 F N 1.622 121.679 119.950 0.178 0.000 2.612 284 F HA 0.234 4.764 4.527 0.005 0.000 0.332 284 F C 0.213 176.093 175.800 0.133 0.000 1.167 284 F CA -0.648 57.461 58.000 0.183 0.000 0.970 284 F CB 1.322 40.400 39.000 0.130 0.000 1.234 284 F HN 0.341 nan 8.300 nan 0.000 0.453 285 D N 1.019 121.583 120.400 0.273 0.000 2.562 285 D HA 0.050 4.692 4.640 0.004 0.000 0.271 285 D C 0.042 176.465 176.300 0.206 0.000 1.198 285 D CA 0.267 54.386 54.000 0.198 0.000 1.071 285 D CB -0.020 40.867 40.800 0.145 0.000 1.011 285 D HN 0.412 nan 8.370 nan 0.000 0.327 286 D N 0.302 120.813 120.400 0.184 0.000 2.826 286 D HA 0.095 4.737 4.640 0.004 0.000 0.229 286 D C -0.456 175.969 176.300 0.208 0.000 1.091 286 D CA 0.141 54.267 54.000 0.211 0.000 1.061 286 D CB -0.623 40.274 40.800 0.162 0.000 1.155 286 D HN 0.051 nan 8.370 nan 0.000 0.450 287 C N 0.279 119.720 119.300 0.236 0.000 2.398 287 C HA 0.550 5.013 4.460 0.004 0.000 0.364 287 C C 0.877 175.976 174.990 0.181 0.000 1.219 287 C CA -0.645 58.493 59.018 0.200 0.000 2.312 287 C CB 1.242 29.122 27.740 0.233 0.000 2.428 287 C HN 0.341 nan 8.230 nan 0.000 0.564 288 T N 2.378 116.992 114.554 0.100 0.000 2.856 288 T HA 0.616 4.969 4.350 0.004 0.000 0.283 288 T C -0.969 173.735 174.700 0.006 0.000 1.008 288 T CA -0.318 61.820 62.100 0.063 0.000 0.997 288 T CB 1.348 70.223 68.868 0.011 0.000 0.992 288 T HN 0.484 nan 8.240 nan 0.000 0.454 289 L N 3.932 125.130 121.223 -0.040 0.000 2.471 289 L HA 0.458 4.800 4.340 0.004 0.000 0.263 289 L C -0.458 176.328 176.870 -0.140 0.000 0.985 289 L CA -0.333 54.441 54.840 -0.110 0.000 0.868 289 L CB 0.674 42.612 42.059 -0.201 0.000 1.203 289 L HN 0.751 nan 8.230 nan 0.000 0.429 290 N N 2.966 121.597 118.700 -0.115 0.000 2.735 290 N HA 0.209 4.951 4.740 0.004 0.000 0.312 290 N C 0.227 175.655 175.510 -0.136 0.000 1.843 290 N CA -0.518 52.450 53.050 -0.135 0.000 0.945 290 N CB 1.092 39.525 38.487 -0.090 0.000 1.299 290 N HN 0.755 nan 8.380 nan 0.000 0.489 291 G N 1.281 109.978 108.800 -0.172 0.000 2.151 291 G HA2 0.025 3.988 3.960 0.004 0.000 0.269 291 G HA3 0.025 3.988 3.960 0.004 0.000 0.269 291 G C 0.905 175.729 174.900 -0.126 0.000 1.069 291 G CA -0.100 44.918 45.100 -0.137 0.000 1.080 291 G HN 0.400 nan 8.290 nan 0.000 0.405 292 L N 3.040 124.211 121.223 -0.087 0.000 2.056 292 L HA 0.132 4.474 4.340 0.004 0.000 0.202 292 L C 2.954 179.790 176.870 -0.056 0.000 1.086 292 L CA 1.234 56.032 54.840 -0.069 0.000 0.758 292 L CB -0.614 41.412 42.059 -0.056 0.000 0.912 292 L HN 0.540 nan 8.230 nan 0.000 0.446 293 G N -1.727 107.036 108.800 -0.063 0.000 2.464 293 G HA2 -0.079 3.884 3.960 0.004 0.000 0.217 293 G HA3 -0.079 3.884 3.960 0.004 0.000 0.217 293 G C -0.151 174.723 174.900 -0.043 0.000 1.138 293 G CA 0.135 45.199 45.100 -0.060 0.000 0.793 293 G HN 0.505 nan 8.290 nan 0.000 0.539 294 D N -0.709 119.671 120.400 -0.034 0.000 6.013 294 D HA -0.153 4.489 4.640 0.004 0.000 0.242 294 D C -0.108 176.228 176.300 0.061 0.000 1.609 294 D CA 0.319 54.341 54.000 0.036 0.000 1.473 294 D CB -0.809 40.025 40.800 0.057 0.000 0.711 294 D HN 0.055 nan 8.370 nan 0.000 0.388 295 F N 1.892 121.846 119.950 0.006 0.000 2.657 295 F HA -0.100 4.429 4.527 0.004 0.000 0.347 295 F C 1.914 177.699 175.800 -0.024 0.000 1.180 295 F CA 0.976 58.974 58.000 -0.003 0.000 1.383 295 F CB 0.351 39.355 39.000 0.005 0.000 1.077 295 F HN 0.351 nan 8.300 nan 0.000 0.622 296 N N -0.468 118.463 118.700 0.384 0.000 2.575 296 N HA 0.112 4.855 4.740 0.004 0.000 0.258 296 N C -2.455 173.120 175.510 0.108 0.000 1.019 296 N CA -0.066 53.081 53.050 0.161 0.000 0.909 296 N CB -0.814 37.735 38.487 0.103 0.000 1.728 296 N HN 0.299 nan 8.380 nan 0.000 0.604 297 P HA -0.002 nan 4.420 nan 0.000 0.252 297 P C 0.281 177.558 177.300 -0.039 0.000 1.183 297 P CA 0.534 63.669 63.100 0.059 0.000 0.973 297 P CB 1.030 32.796 31.700 0.109 0.000 0.990 298 S N 2.705 118.381 115.700 -0.040 0.000 2.462 298 S HA -0.152 4.320 4.470 0.004 0.000 0.243 298 S C 1.491 176.043 174.600 -0.079 0.000 1.003 298 S CA 1.115 59.273 58.200 -0.070 0.000 0.970 298 S CB -0.178 62.994 63.200 -0.047 0.000 0.762 298 S HN 0.363 nan 8.310 nan 0.000 0.510 299 E N 0.905 121.069 120.200 -0.060 0.000 2.122 299 E HA 0.025 4.378 4.350 0.004 0.000 0.190 299 E C 1.903 178.456 176.600 -0.078 0.000 0.977 299 E CA 0.980 57.349 56.400 -0.052 0.000 0.820 299 E CB -0.615 29.072 29.700 -0.021 0.000 0.770 299 E HN 0.670 nan 8.360 nan 0.000 0.462 300 S N 1.064 116.699 115.700 -0.108 0.000 2.763 300 S HA 0.066 4.538 4.470 0.004 0.000 0.237 300 S C -0.029 174.365 174.600 -0.343 0.000 0.966 300 S CA -0.422 57.684 58.200 -0.156 0.000 1.017 300 S CB -0.316 62.830 63.200 -0.091 0.000 0.780 300 S HN -0.045 nan 8.310 nan 0.000 0.476 301 D N 1.445 121.674 120.400 -0.284 0.000 2.349 301 D HA 0.254 4.896 4.640 0.004 0.000 0.232 301 D C -0.555 175.624 176.300 -0.202 0.000 1.071 301 D CA -0.646 53.163 54.000 -0.318 0.000 0.832 301 D CB 1.809 42.452 40.800 -0.262 0.000 1.086 301 D HN 0.076 nan 8.370 nan 0.000 0.504 302 V N 6.160 125.957 119.914 -0.196 0.000 2.372 302 V HA 0.512 4.635 4.120 0.004 0.000 0.261 302 V C -0.254 175.787 176.094 -0.088 0.000 1.055 302 V CA -0.080 62.139 62.300 -0.134 0.000 0.930 302 V CB 0.249 31.982 31.823 -0.150 0.000 1.031 302 V HN 0.446 nan 8.190 nan 0.000 0.479 303 V N 3.238 123.111 119.914 -0.070 0.000 3.166 303 V HA 0.687 4.809 4.120 0.004 0.000 0.317 303 V C 0.904 176.986 176.094 -0.020 0.000 1.136 303 V CA -0.157 62.117 62.300 -0.043 0.000 1.035 303 V CB 1.160 32.952 31.823 -0.051 0.000 1.110 303 V HN 1.287 nan 8.190 nan 0.000 0.450 304 S N 0.332 116.034 115.700 0.003 0.000 3.368 304 S HA -0.227 4.245 4.470 0.004 0.000 0.381 304 S C 0.782 175.388 174.600 0.011 0.000 0.975 304 S CA 1.492 59.703 58.200 0.019 0.000 1.199 304 S CB -1.065 62.145 63.200 0.018 0.000 0.902 304 S HN 1.055 nan 8.310 nan 0.000 0.472 305 E N -0.047 120.157 120.200 0.008 0.000 2.651 305 E HA 0.198 4.550 4.350 0.004 0.000 0.208 305 E C 1.069 177.678 176.600 0.016 0.000 0.997 305 E CA -0.285 56.112 56.400 -0.003 0.000 1.020 305 E CB 0.020 29.698 29.700 -0.036 0.000 1.052 305 E HN 0.688 nan 8.360 nan 0.000 0.465 306 L N -0.229 121.019 121.223 0.041 0.000 2.622 306 L HA 0.027 4.370 4.340 0.004 0.000 0.233 306 L C 1.542 178.442 176.870 0.049 0.000 1.156 306 L CA 0.567 55.443 54.840 0.060 0.000 0.866 306 L CB -0.687 41.425 42.059 0.087 0.000 0.980 306 L HN 0.285 nan 8.230 nan 0.000 0.448 307 G N 1.600 110.420 108.800 0.033 0.000 2.692 307 G HA2 -0.417 3.545 3.960 0.004 0.000 0.339 307 G HA3 -0.417 3.545 3.960 0.004 0.000 0.339 307 G C 0.815 175.735 174.900 0.034 0.000 1.226 307 G CA 0.739 45.856 45.100 0.028 0.000 0.979 307 G HN 0.454 nan 8.290 nan 0.000 0.549 308 K N 0.180 120.600 120.400 0.034 0.000 2.437 308 K HA 0.449 4.771 4.320 0.004 0.000 0.205 308 K C 0.275 176.896 176.600 0.034 0.000 1.026 308 K CA -0.232 56.073 56.287 0.031 0.000 1.153 308 K CB 1.251 33.765 32.500 0.023 0.000 0.863 308 K HN 0.237 nan 8.250 nan 0.000 0.502 309 V N 2.607 122.549 119.914 0.047 0.000 2.450 309 V HA -0.047 4.076 4.120 0.004 0.000 0.281 309 V C 1.010 177.136 176.094 0.054 0.000 1.019 309 V CA 0.858 63.191 62.300 0.054 0.000 1.062 309 V CB 0.524 32.394 31.823 0.079 0.000 0.979 309 V HN 0.360 nan 8.190 nan 0.000 0.477 310 E N 2.018 122.241 120.200 0.038 0.000 2.465 310 E HA 0.116 4.468 4.350 0.004 0.000 0.209 310 E C 0.127 176.750 176.600 0.038 0.000 0.951 310 E CA 0.177 56.599 56.400 0.036 0.000 0.997 310 E CB 0.834 30.543 29.700 0.015 0.000 1.025 310 E HN 0.676 nan 8.360 nan 0.000 0.500 311 T N 1.316 115.891 114.554 0.034 0.000 2.809 311 T HA 0.393 4.745 4.350 0.004 0.000 0.284 311 T C -0.736 174.006 174.700 0.069 0.000 0.992 311 T CA -0.411 61.710 62.100 0.036 0.000 0.957 311 T CB 2.201 71.061 68.868 -0.012 0.000 0.942 311 T HN -0.230 nan 8.240 nan 0.000 0.439 312 V N 3.808 123.783 119.914 0.101 0.000 2.409 312 V HA 0.518 4.640 4.120 0.004 0.000 0.291 312 V C -0.050 176.128 176.094 0.141 0.000 1.020 312 V CA -0.619 61.771 62.300 0.150 0.000 0.848 312 V CB 1.918 33.845 31.823 0.174 0.000 0.990 312 V HN 0.968 nan 8.190 nan 0.000 0.430 313 T N 6.739 121.388 114.554 0.157 0.000 2.912 313 T HA 0.610 4.962 4.350 0.004 0.000 0.326 313 T C -0.352 174.460 174.700 0.187 0.000 1.080 313 T CA -0.062 62.118 62.100 0.135 0.000 1.000 313 T CB 0.398 69.314 68.868 0.080 0.000 1.008 313 T HN 0.363 nan 8.240 nan 0.000 0.473 314 I N 3.522 124.188 120.570 0.160 0.000 2.377 314 I HA 0.523 4.695 4.170 0.004 0.000 0.293 314 I C 0.327 176.500 176.117 0.093 0.000 0.987 314 I CA -0.765 60.633 61.300 0.163 0.000 1.185 314 I CB 1.313 39.373 38.000 0.101 0.000 1.341 314 I HN 0.260 nan 8.210 nan 0.000 0.455 315 R N 5.341 125.905 120.500 0.106 0.000 2.575 315 R HA 0.554 4.897 4.340 0.004 0.000 0.293 315 R C -0.648 175.687 176.300 0.057 0.000 0.983 315 R CA -1.114 55.025 56.100 0.065 0.000 0.887 315 R CB 1.898 32.243 30.300 0.076 0.000 1.184 315 R HN 0.523 nan 8.270 nan 0.000 0.445 316 R N 1.025 121.525 120.500 -0.002 0.000 3.188 316 R HA -0.214 4.129 4.340 0.004 0.000 0.247 316 R C -0.422 175.824 176.300 -0.090 0.000 0.918 316 R CA 0.175 56.241 56.100 -0.056 0.000 0.629 316 R CB -1.438 28.902 30.300 0.067 0.000 1.087 316 R HN 0.350 nan 8.270 nan 0.000 0.462 317 L N 1.085 122.227 121.223 -0.134 0.000 2.350 317 L HA 0.314 4.656 4.340 0.004 0.000 0.275 317 L C -0.085 176.634 176.870 -0.251 0.000 1.099 317 L CA -0.316 54.481 54.840 -0.071 0.000 0.808 317 L CB 0.810 42.830 42.059 -0.064 0.000 1.149 317 L HN 0.158 nan 8.230 nan 0.000 0.442 318 H N 4.971 124.034 119.070 -0.012 0.000 2.762 318 H HA 0.545 5.103 4.556 0.004 0.000 0.310 318 H C -0.879 174.425 175.328 -0.041 0.000 1.004 318 H CA -0.470 55.570 56.048 -0.014 0.000 1.267 318 H CB 0.851 30.611 29.762 -0.003 0.000 1.437 318 H HN 0.444 nan 8.280 nan 0.000 0.498 319 I N 4.966 125.558 120.570 0.036 0.000 2.437 319 I HA 0.187 4.360 4.170 0.004 0.000 0.298 319 I C -0.973 175.121 176.117 -0.039 0.000 0.984 319 I CA -1.899 59.380 61.300 -0.033 0.000 1.214 319 I CB 1.220 39.222 38.000 0.004 0.000 1.365 319 I HN 0.528 nan 8.210 nan 0.000 0.469 320 P HA -0.113 nan 4.420 nan 0.000 0.205 320 P C -0.502 176.712 177.300 -0.144 0.000 1.193 320 P CA 1.276 64.316 63.100 -0.101 0.000 0.929 320 P CB 0.337 31.961 31.700 -0.127 0.000 0.772 321 Q N -1.629 118.003 119.800 -0.279 0.000 2.313 321 Q HA 0.323 4.666 4.340 0.004 0.000 0.260 321 Q C -1.428 174.269 176.000 -0.506 0.000 0.972 321 Q CA -0.453 55.082 55.803 -0.447 0.000 0.886 321 Q CB 1.554 29.759 28.738 -0.888 0.000 1.373 321 Q HN 0.079 nan 8.270 nan 0.000 0.416 322 F N 2.276 121.997 119.950 -0.381 0.000 2.444 322 F HA 0.227 4.757 4.527 0.004 0.000 0.360 322 F C 0.835 176.567 175.800 -0.113 0.000 1.106 322 F CA 0.493 58.374 58.000 -0.198 0.000 1.170 322 F CB 0.403 39.353 39.000 -0.084 0.000 1.113 322 F HN 0.607 nan 8.300 nan 0.000 0.521 323 Y N 1.625 122.021 120.300 0.160 0.000 2.652 323 Y HA 0.328 4.880 4.550 0.005 0.000 0.274 323 Y C 0.406 176.392 175.900 0.143 0.000 1.148 323 Y CA -0.431 57.749 58.100 0.134 0.000 1.219 323 Y CB 0.765 39.270 38.460 0.075 0.000 1.337 323 Y HN 0.175 nan 8.280 nan 0.000 0.490 324 L N 0.300 121.702 121.223 0.298 0.000 2.334 324 L HA 0.250 4.592 4.340 0.004 0.000 0.270 324 L C -0.667 176.380 176.870 0.295 0.000 1.018 324 L CA -1.165 53.826 54.840 0.251 0.000 0.811 324 L CB 1.173 43.340 42.059 0.179 0.000 1.271 324 L HN -0.021 nan 8.230 nan 0.000 0.443 325 F N 1.245 121.291 119.950 0.161 0.000 2.590 325 F HA 0.003 4.533 4.527 0.004 0.000 0.389 325 F C 0.263 176.179 175.800 0.192 0.000 1.049 325 F CA 0.054 58.153 58.000 0.165 0.000 1.199 325 F CB 0.031 39.092 39.000 0.102 0.000 1.058 325 F HN 0.286 nan 8.300 nan 0.000 0.556 326 Y N 4.282 124.288 120.300 -0.489 0.000 2.993 326 Y HA 0.039 4.591 4.550 0.004 0.000 0.218 326 Y C 1.579 176.771 175.900 -1.179 0.000 0.928 326 Y CA 1.072 58.822 58.100 -0.584 0.000 0.974 326 Y CB 0.186 38.521 38.460 -0.209 0.000 1.080 326 Y HN 0.703 nan 8.280 nan 0.000 0.464 327 D N -2.666 117.125 120.400 -1.015 0.000 1.697 327 D HA -0.088 4.554 4.640 0.004 0.000 0.521 327 D C 0.752 176.662 176.300 -0.649 0.000 1.190 327 D CA 0.904 54.365 54.000 -0.899 0.000 1.081 327 D CB -0.280 39.994 40.800 -0.877 0.000 2.624 327 D HN 0.516 nan 8.370 nan 0.000 0.313 328 L N 0.816 121.583 121.223 -0.761 0.000 5.051 328 L HA -0.263 4.079 4.340 0.004 0.000 0.432 328 L C 1.465 177.551 176.870 -1.307 0.000 1.055 328 L CA 0.855 55.175 54.840 -0.868 0.000 1.095 328 L CB -1.967 39.560 42.059 -0.887 0.000 1.957 328 L HN 0.001 nan 8.230 nan 0.000 0.727 329 S N -0.603 114.528 115.700 -0.948 0.000 2.370 329 S HA -0.188 4.284 4.470 0.004 0.000 0.226 329 S C 1.758 176.105 174.600 -0.422 0.000 1.033 329 S CA 2.221 60.025 58.200 -0.660 0.000 1.011 329 S CB -0.175 62.832 63.200 -0.322 0.000 0.852 329 S HN 0.604 nan 8.310 nan 0.000 0.457 330 T N 1.791 116.123 114.554 -0.370 0.000 2.777 330 T HA -0.027 4.325 4.350 0.004 0.000 0.266 330 T C 1.937 176.534 174.700 -0.172 0.000 1.040 330 T CA 1.119 63.090 62.100 -0.215 0.000 1.141 330 T CB -0.354 68.404 68.868 -0.183 0.000 0.868 330 T HN 0.186 nan 8.240 nan 0.000 0.444 331 V N 0.494 120.254 119.914 -0.257 0.000 2.343 331 V HA -0.181 3.941 4.120 0.004 0.000 0.247 331 V C 2.016 178.049 176.094 -0.102 0.000 1.051 331 V CA 1.480 63.676 62.300 -0.172 0.000 1.036 331 V CB -0.854 30.820 31.823 -0.247 0.000 0.654 331 V HN 0.627 nan 8.190 nan 0.000 0.451 332 Y N 0.038 120.168 120.300 -0.284 0.000 2.053 332 Y HA -0.327 4.225 4.550 0.004 0.000 0.277 332 Y C 3.060 178.942 175.900 -0.031 0.000 1.159 332 Y CA 1.423 59.406 58.100 -0.194 0.000 1.125 332 Y CB -0.517 37.764 38.460 -0.298 0.000 0.969 332 Y HN 0.286 nan 8.280 nan 0.000 0.492 333 S N 0.288 116.065 115.700 0.128 0.000 2.353 333 S HA -0.208 4.265 4.470 0.004 0.000 0.222 333 S C 1.947 176.595 174.600 0.081 0.000 1.035 333 S CA 1.296 59.550 58.200 0.091 0.000 1.025 333 S CB -0.548 62.673 63.200 0.035 0.000 0.902 333 S HN 0.268 nan 8.310 nan 0.000 0.440 334 L N 1.177 122.436 121.223 0.059 0.000 2.079 334 L HA 0.106 4.449 4.340 0.004 0.000 0.210 334 L C 1.916 178.856 176.870 0.116 0.000 1.081 334 L CA 1.633 56.520 54.840 0.078 0.000 0.752 334 L CB -0.744 41.362 42.059 0.078 0.000 0.896 334 L HN 0.416 nan 8.230 nan 0.000 0.433 335 L N -1.505 119.806 121.223 0.147 0.000 2.607 335 L HA 0.030 4.372 4.340 0.004 0.000 0.228 335 L C 2.061 179.037 176.870 0.176 0.000 1.123 335 L CA -0.014 54.938 54.840 0.187 0.000 0.890 335 L CB -0.210 42.017 42.059 0.280 0.000 1.103 335 L HN 0.317 nan 8.230 nan 0.000 0.468 336 E N 1.689 121.981 120.200 0.153 0.000 2.114 336 E HA -0.261 4.091 4.350 0.004 0.000 0.199 336 E C 1.087 177.752 176.600 0.108 0.000 1.008 336 E CA 1.572 58.053 56.400 0.135 0.000 0.810 336 E CB 0.232 30.000 29.700 0.113 0.000 0.739 336 E HN 0.445 nan 8.360 nan 0.000 0.456 337 K N 0.298 120.754 120.400 0.094 0.000 2.414 337 K HA 0.125 4.448 4.320 0.004 0.000 0.204 337 K C -0.103 176.542 176.600 0.074 0.000 1.026 337 K CA -0.101 56.231 56.287 0.075 0.000 1.108 337 K CB 1.415 33.950 32.500 0.059 0.000 0.855 337 K HN 0.006 nan 8.250 nan 0.000 0.517 338 V N -0.774 119.195 119.914 0.091 0.000 2.686 338 V HA 0.172 4.295 4.120 0.004 0.000 0.295 338 V C 0.660 176.799 176.094 0.076 0.000 1.055 338 V CA -0.370 61.982 62.300 0.086 0.000 1.050 338 V CB 1.415 33.302 31.823 0.107 0.000 0.984 338 V HN 0.128 nan 8.190 nan 0.000 0.482 339 K N 2.356 122.792 120.400 0.061 0.000 2.335 339 K HA 0.298 4.621 4.320 0.004 0.000 0.195 339 K C 0.205 176.850 176.600 0.075 0.000 1.058 339 K CA 0.135 56.456 56.287 0.056 0.000 0.988 339 K CB 0.362 32.883 32.500 0.035 0.000 0.880 339 K HN 0.648 nan 8.250 nan 0.000 0.513 340 R N 1.209 121.758 120.500 0.081 0.000 2.480 340 R HA 0.484 4.826 4.340 0.004 0.000 0.306 340 R C -0.714 175.668 176.300 0.136 0.000 0.958 340 R CA -0.369 55.822 56.100 0.151 0.000 0.861 340 R CB 1.719 32.058 30.300 0.065 0.000 1.171 340 R HN -0.008 nan 8.270 nan 0.000 0.445 341 I N 1.350 121.999 120.570 0.131 0.000 2.582 341 I HA 0.309 4.481 4.170 0.004 0.000 0.292 341 I C -0.445 175.694 176.117 0.036 0.000 1.066 341 I CA -0.587 60.748 61.300 0.058 0.000 1.053 341 I CB 2.848 40.835 38.000 -0.021 0.000 1.241 341 I HN 0.411 nan 8.210 nan 0.000 0.421 342 T N 5.234 119.821 114.554 0.055 0.000 2.840 342 T HA 0.453 4.805 4.350 0.004 0.000 0.287 342 T C -0.630 174.069 174.700 -0.001 0.000 0.991 342 T CA -0.409 61.709 62.100 0.031 0.000 0.964 342 T CB 1.833 70.765 68.868 0.107 0.000 0.954 342 T HN 0.183 nan 8.240 nan 0.000 0.438 343 V N 3.872 123.752 119.914 -0.056 0.000 2.320 343 V HA 0.353 4.475 4.120 0.004 0.000 0.268 343 V C 0.126 176.183 176.094 -0.063 0.000 1.021 343 V CA -0.780 61.486 62.300 -0.057 0.000 0.813 343 V CB 0.973 32.736 31.823 -0.099 0.000 1.054 343 V HN 0.859 nan 8.190 nan 0.000 0.444 344 E N 4.138 124.320 120.200 -0.031 0.000 2.242 344 E HA 0.280 4.632 4.350 0.004 0.000 0.275 344 E C 0.542 177.118 176.600 -0.040 0.000 1.002 344 E CA -0.697 55.684 56.400 -0.032 0.000 0.841 344 E CB 0.773 30.471 29.700 -0.003 0.000 1.109 344 E HN 0.571 nan 8.360 nan 0.000 0.394 345 N N 2.357 121.028 118.700 -0.048 0.000 2.696 345 N HA -0.209 4.534 4.740 0.004 0.000 0.271 345 N C -1.318 174.142 175.510 -0.083 0.000 0.997 345 N CA 1.222 54.240 53.050 -0.053 0.000 0.801 345 N CB -1.062 37.409 38.487 -0.026 0.000 0.913 345 N HN 0.370 nan 8.380 nan 0.000 0.557 346 S N 0.858 116.497 115.700 -0.102 0.000 2.941 346 S HA 0.194 4.666 4.470 0.004 0.000 0.251 346 S C 0.084 174.612 174.600 -0.120 0.000 1.029 346 S CA -0.335 57.777 58.200 -0.147 0.000 1.062 346 S CB 0.421 63.539 63.200 -0.137 0.000 0.977 346 S HN 0.528 nan 8.310 nan 0.000 0.552 347 K N 0.870 121.223 120.400 -0.079 0.000 3.035 347 K HA -0.140 4.183 4.320 0.004 0.000 0.262 347 K C -0.438 176.147 176.600 -0.024 0.000 1.024 347 K CA 0.178 56.450 56.287 -0.026 0.000 0.748 347 K CB -1.977 30.521 32.500 -0.003 0.000 1.247 347 K HN 0.291 nan 8.250 nan 0.000 0.482 348 V N 1.678 121.541 119.914 -0.086 0.000 2.555 348 V HA 0.114 4.237 4.120 0.004 0.000 0.286 348 V C 0.945 176.986 176.094 -0.088 0.000 1.044 348 V CA 0.406 62.602 62.300 -0.172 0.000 1.026 348 V CB 0.222 31.933 31.823 -0.185 0.000 0.981 348 V HN 0.397 nan 8.190 nan 0.000 0.480 349 F N 4.351 124.208 119.950 -0.156 0.000 2.817 349 F HA 0.713 5.243 4.527 0.005 0.000 0.333 349 F C -0.558 175.127 175.800 -0.191 0.000 1.085 349 F CA -0.595 57.299 58.000 -0.177 0.000 1.170 349 F CB 0.341 39.181 39.000 -0.266 0.000 1.066 349 F HN 0.358 nan 8.300 nan 0.000 0.564 350 L N 0.882 121.710 121.223 -0.658 0.000 2.612 350 L HA 0.763 5.106 4.340 0.004 0.000 0.256 350 L C -1.973 174.696 176.870 -0.335 0.000 0.949 350 L CA -0.742 53.865 54.840 -0.389 0.000 0.867 350 L CB 2.435 44.232 42.059 -0.436 0.000 1.417 350 L HN -0.172 nan 8.230 nan 0.000 0.414 351 V N 4.720 124.554 119.914 -0.134 0.000 2.419 351 V HA 0.474 4.597 4.120 0.004 0.000 0.287 351 V C -2.278 173.799 176.094 -0.028 0.000 1.017 351 V CA -1.428 60.801 62.300 -0.117 0.000 0.844 351 V CB 1.601 33.411 31.823 -0.022 0.000 1.011 351 V HN 0.695 nan 8.190 nan 0.000 0.429 352 P HA 0.022 nan 4.420 nan 0.000 0.265 352 P C 1.092 178.443 177.300 0.084 0.000 1.187 352 P CA 0.103 63.263 63.100 0.100 0.000 0.766 352 P CB 0.564 32.379 31.700 0.191 0.000 0.820 353 c N 2.497 121.109 118.600 0.019 0.000 2.376 353 c HA -0.211 4.361 4.570 0.004 0.000 0.275 353 c C 2.900 176.998 174.090 0.012 0.000 1.200 353 c CA 2.279 58.578 56.329 -0.050 0.000 1.756 353 c CB -1.672 40.812 42.510 -0.044 0.000 2.050 353 c HN 0.675 nan 8.230 nan 0.000 0.460 354 S N -0.997 114.759 115.700 0.093 0.000 2.374 354 S HA -0.188 4.284 4.470 0.004 0.000 0.227 354 S C 1.656 176.317 174.600 0.102 0.000 1.037 354 S CA 1.872 60.141 58.200 0.114 0.000 1.024 354 S CB -0.678 62.633 63.200 0.184 0.000 0.861 354 S HN 0.677 nan 8.310 nan 0.000 0.456 355 F N 2.202 122.186 119.950 0.056 0.000 2.051 355 F HA -0.035 4.494 4.527 0.004 0.000 0.296 355 F C 2.698 178.538 175.800 0.067 0.000 1.122 355 F CA 1.761 59.833 58.000 0.120 0.000 1.201 355 F CB -1.278 37.860 39.000 0.231 0.000 0.978 355 F HN 0.161 nan 8.300 nan 0.000 0.472 356 S N 0.054 115.928 115.700 0.290 0.000 2.380 356 S HA -0.319 4.154 4.470 0.004 0.000 0.229 356 S C 1.843 176.456 174.600 0.022 0.000 1.043 356 S CA 1.826 60.042 58.200 0.027 0.000 1.038 356 S CB -0.565 62.239 63.200 -0.660 0.000 0.872 356 S HN 0.549 nan 8.310 nan 0.000 0.456 357 Q N -0.621 119.155 119.800 -0.040 0.000 2.291 357 Q HA -0.095 4.248 4.340 0.004 0.000 0.205 357 Q C 1.383 177.275 176.000 -0.179 0.000 0.970 357 Q CA 1.108 56.842 55.803 -0.115 0.000 0.876 357 Q CB -0.135 28.502 28.738 -0.168 0.000 0.935 357 Q HN 0.671 nan 8.270 nan 0.000 0.455 358 H N -0.627 118.364 119.070 -0.132 0.000 2.553 358 H HA 0.156 4.715 4.556 0.004 0.000 0.265 358 H C 0.075 175.440 175.328 0.061 0.000 0.964 358 H CA 0.172 56.134 56.048 -0.144 0.000 1.156 358 H CB 0.370 29.822 29.762 -0.517 0.000 1.411 358 H HN 0.035 nan 8.280 nan 0.000 0.558 359 L N 1.655 123.044 121.223 0.277 0.000 2.391 359 L HA 0.103 4.446 4.340 0.004 0.000 0.249 359 L C 0.887 177.876 176.870 0.199 0.000 1.308 359 L CA 0.066 55.083 54.840 0.294 0.000 1.209 359 L CB 0.189 42.482 42.059 0.391 0.000 1.401 359 L HN 0.220 nan 8.230 nan 0.000 0.416 360 K N -0.247 120.230 120.400 0.128 0.000 2.288 360 K HA -0.014 4.309 4.320 0.004 0.000 0.201 360 K C 1.530 178.179 176.600 0.082 0.000 1.048 360 K CA 0.678 57.016 56.287 0.083 0.000 0.956 360 K CB 0.216 32.739 32.500 0.038 0.000 0.746 360 K HN 0.361 nan 8.250 nan 0.000 0.461 361 S N 0.703 116.456 115.700 0.089 0.000 2.535 361 S HA 0.081 4.553 4.470 0.004 0.000 0.214 361 S C 0.182 174.824 174.600 0.070 0.000 0.980 361 S CA -0.438 57.805 58.200 0.071 0.000 0.907 361 S CB 0.113 63.352 63.200 0.066 0.000 0.790 361 S HN 0.110 nan 8.310 nan 0.000 0.510 362 L N 2.949 124.221 121.223 0.082 0.000 2.513 362 L HA 0.079 4.422 4.340 0.004 0.000 0.272 362 L C 0.835 177.728 176.870 0.038 0.000 1.187 362 L CA 0.997 55.867 54.840 0.051 0.000 0.895 362 L CB 0.282 42.353 42.059 0.021 0.000 1.147 362 L HN 0.110 nan 8.230 nan 0.000 0.483 363 E N 3.705 123.932 120.200 0.045 0.000 2.364 363 E HA 0.100 4.453 4.350 0.004 0.000 0.203 363 E C -0.701 175.948 176.600 0.083 0.000 0.888 363 E CA 0.042 56.475 56.400 0.056 0.000 0.989 363 E CB 0.588 30.324 29.700 0.059 0.000 0.985 363 E HN 0.460 nan 8.360 nan 0.000 0.499 364 F N 1.566 121.457 119.950 -0.099 0.000 2.507 364 F HA 0.516 5.046 4.527 0.005 0.000 0.325 364 F C -1.589 174.102 175.800 -0.182 0.000 1.116 364 F CA -1.361 56.563 58.000 -0.127 0.000 0.930 364 F CB 1.463 40.403 39.000 -0.101 0.000 1.146 364 F HN -0.204 nan 8.300 nan 0.000 0.447 365 L N 6.426 127.162 121.223 -0.811 0.000 2.441 365 L HA 0.470 4.813 4.340 0.004 0.000 0.270 365 L C -1.901 174.449 176.870 -0.867 0.000 0.973 365 L CA -0.262 54.136 54.840 -0.738 0.000 0.842 365 L CB 1.448 43.014 42.059 -0.823 0.000 1.239 365 L HN 0.621 nan 8.230 nan 0.000 0.406 366 D N 4.971 124.982 120.400 -0.648 0.000 2.440 366 D HA 0.364 5.007 4.640 0.004 0.000 0.239 366 D C -0.334 175.819 176.300 -0.246 0.000 1.084 366 D CA -0.072 53.661 54.000 -0.446 0.000 0.843 366 D CB 1.130 41.781 40.800 -0.247 0.000 1.097 366 D HN 0.657 nan 8.370 nan 0.000 0.531 367 L N 2.425 123.520 121.223 -0.214 0.000 3.062 367 L HA 0.243 4.586 4.340 0.004 0.000 0.255 367 L C 0.571 177.378 176.870 -0.106 0.000 1.274 367 L CA -0.407 54.343 54.840 -0.150 0.000 1.047 367 L CB 0.323 42.297 42.059 -0.142 0.000 1.402 367 L HN 0.170 nan 8.230 nan 0.000 0.550 368 S N 0.966 116.612 115.700 -0.090 0.000 2.561 368 S HA -0.037 4.435 4.470 0.004 0.000 0.294 368 S C 0.707 175.269 174.600 -0.064 0.000 1.294 368 S CA 0.246 58.409 58.200 -0.062 0.000 1.055 368 S CB 0.139 63.320 63.200 -0.032 0.000 0.819 368 S HN 0.507 nan 8.310 nan 0.000 0.503 369 E N 0.431 120.588 120.200 -0.072 0.000 2.320 369 E HA -0.238 4.114 4.350 0.004 0.000 0.234 369 E C -0.352 176.189 176.600 -0.098 0.000 1.183 369 E CA 0.367 56.719 56.400 -0.080 0.000 0.713 369 E CB -1.574 28.097 29.700 -0.048 0.000 1.226 369 E HN 0.638 nan 8.360 nan 0.000 0.382 370 N N -0.658 117.964 118.700 -0.130 0.000 3.312 370 N HA 0.534 5.277 4.740 0.004 0.000 0.361 370 N C -0.547 174.848 175.510 -0.190 0.000 1.476 370 N CA -0.803 52.175 53.050 -0.121 0.000 0.669 370 N CB 0.527 38.956 38.487 -0.096 0.000 1.629 370 N HN -0.070 nan 8.380 nan 0.000 0.612 371 L N 1.219 122.389 121.223 -0.089 0.000 3.209 371 L HA 0.414 4.757 4.340 0.004 0.000 0.279 371 L C -0.938 175.982 176.870 0.085 0.000 1.301 371 L CA -0.001 54.829 54.840 -0.017 0.000 1.004 371 L CB -0.260 41.903 42.059 0.173 0.000 1.402 371 L HN 0.511 nan 8.230 nan 0.000 0.577 372 M N 1.477 121.083 119.600 0.010 0.000 2.228 372 M HA 0.400 4.883 4.480 0.004 0.000 0.351 372 M C 0.214 176.591 176.300 0.128 0.000 1.233 372 M CA -0.020 55.338 55.300 0.096 0.000 1.129 372 M CB 1.039 33.677 32.600 0.062 0.000 1.604 372 M HN 0.039 nan 8.290 nan 0.000 0.457 373 V N 0.938 120.973 119.914 0.202 0.000 3.040 373 V HA 0.501 4.624 4.120 0.004 0.000 0.312 373 V C 0.711 176.894 176.094 0.149 0.000 1.115 373 V CA -0.850 61.553 62.300 0.171 0.000 0.998 373 V CB 1.607 33.544 31.823 0.189 0.000 1.042 373 V HN 0.768 nan 8.190 nan 0.000 0.433 374 E N 0.528 120.786 120.200 0.097 0.000 2.130 374 E HA -0.208 4.144 4.350 0.004 0.000 0.196 374 E C 1.788 178.403 176.600 0.024 0.000 0.998 374 E CA 2.112 58.552 56.400 0.067 0.000 0.806 374 E CB -0.141 29.592 29.700 0.055 0.000 0.738 374 E HN 0.919 nan 8.360 nan 0.000 0.459 375 E N -0.668 119.523 120.200 -0.015 0.000 2.070 375 E HA -0.226 4.127 4.350 0.004 0.000 0.197 375 E C 1.556 178.010 176.600 -0.244 0.000 1.004 375 E CA 1.346 57.648 56.400 -0.162 0.000 0.805 375 E CB -0.091 29.468 29.700 -0.234 0.000 0.744 375 E HN 0.430 nan 8.360 nan 0.000 0.451 376 Y N -0.642 119.699 120.300 0.069 0.000 2.448 376 Y HA -0.048 4.505 4.550 0.004 0.000 0.289 376 Y C 1.951 177.885 175.900 0.057 0.000 1.114 376 Y CA 0.056 58.209 58.100 0.088 0.000 1.235 376 Y CB 0.088 38.652 38.460 0.173 0.000 1.045 376 Y HN 0.118 nan 8.280 nan 0.000 0.554 377 L N 1.229 122.553 121.223 0.168 0.000 2.079 377 L HA -0.210 4.133 4.340 0.004 0.000 0.210 377 L C 2.300 179.192 176.870 0.037 0.000 1.081 377 L CA 1.833 56.744 54.840 0.118 0.000 0.752 377 L CB -0.650 41.481 42.059 0.120 0.000 0.896 377 L HN 0.098 nan 8.230 nan 0.000 0.433 378 K N -0.649 119.757 120.400 0.010 0.000 2.113 378 K HA -0.268 4.054 4.320 0.004 0.000 0.208 378 K C 2.098 178.664 176.600 -0.057 0.000 1.047 378 K CA 1.837 58.103 56.287 -0.034 0.000 0.928 378 K CB -0.304 32.168 32.500 -0.048 0.000 0.716 378 K HN 0.588 nan 8.250 nan 0.000 0.446 379 N N -0.423 118.259 118.700 -0.030 0.000 2.290 379 N HA -0.057 4.685 4.740 0.004 0.000 0.179 379 N C 1.419 176.871 175.510 -0.098 0.000 1.016 379 N CA 0.816 53.844 53.050 -0.037 0.000 0.871 379 N CB 0.134 38.641 38.487 0.033 0.000 0.987 379 N HN 0.067 nan 8.380 nan 0.000 0.431 380 S N 0.258 115.902 115.700 -0.093 0.000 2.399 380 S HA 0.015 4.488 4.470 0.004 0.000 0.231 380 S C 1.141 175.366 174.600 -0.625 0.000 1.022 380 S CA 0.922 58.989 58.200 -0.222 0.000 0.983 380 S CB -0.042 63.145 63.200 -0.023 0.000 0.803 380 S HN 0.506 nan 8.310 nan 0.000 0.480 381 A N 1.154 123.703 122.820 -0.452 0.000 3.264 381 A HA 0.437 4.759 4.320 0.004 0.000 0.299 381 A C 0.745 178.140 177.584 -0.314 0.000 1.272 381 A CA -0.749 50.967 52.037 -0.534 0.000 1.030 381 A CB -1.043 17.826 19.000 -0.218 0.000 1.102 381 A HN 0.602 nan 8.150 nan 0.000 0.615 382 c N -1.006 117.406 118.600 -0.313 0.000 2.769 382 c HA 0.407 4.980 4.570 0.004 0.000 0.296 382 c C 1.958 175.949 174.090 -0.165 0.000 1.538 382 c CA -0.160 56.056 56.329 -0.188 0.000 2.178 382 c CB 0.072 42.491 42.510 -0.151 0.000 2.077 382 c HN 0.787 nan 8.230 nan 0.000 0.648 383 K N 0.659 120.992 120.400 -0.112 0.000 2.001 383 K HA -0.129 4.194 4.320 0.004 0.000 0.223 383 K C 1.765 178.312 176.600 -0.089 0.000 1.055 383 K CA 2.358 58.594 56.287 -0.086 0.000 0.965 383 K CB -0.990 31.471 32.500 -0.065 0.000 0.730 383 K HN 0.938 nan 8.250 nan 0.000 0.449 384 G N -0.312 108.429 108.800 -0.100 0.000 3.383 384 G HA2 0.307 4.269 3.960 0.004 0.000 0.251 384 G HA3 0.307 4.269 3.960 0.004 0.000 0.251 384 G C -0.240 174.592 174.900 -0.114 0.000 1.203 384 G CA 0.176 45.221 45.100 -0.092 0.000 0.852 384 G HN 0.467 nan 8.290 nan 0.000 0.531 385 A N 0.295 123.003 122.820 -0.187 0.000 2.520 385 A HA 0.405 4.728 4.320 0.004 0.000 0.245 385 A C 0.671 178.190 177.584 -0.108 0.000 1.072 385 A CA -0.369 51.460 52.037 -0.346 0.000 0.761 385 A CB -0.243 18.350 19.000 -0.679 0.000 1.004 385 A HN 0.632 nan 8.150 nan 0.000 0.499 386 W N 1.668 122.967 121.300 -0.001 0.000 7.168 386 W HA -0.172 4.491 4.660 0.005 0.000 0.415 386 W C -1.385 175.135 176.519 0.001 0.000 1.614 386 W CA 0.120 57.466 57.345 0.001 0.000 1.165 386 W CB -2.400 27.055 29.460 -0.009 0.000 2.824 386 W HN 0.790 nan 8.180 nan 0.000 1.619 387 P HA -0.238 nan 4.420 nan 0.000 0.218 387 P C 1.202 178.561 177.300 0.098 0.000 1.154 387 P CA 2.433 65.590 63.100 0.095 0.000 0.872 387 P CB -0.010 31.718 31.700 0.048 0.000 0.790 388 S N -0.831 114.932 115.700 0.104 0.000 2.597 388 S HA 0.143 4.616 4.470 0.004 0.000 0.224 388 S C 0.741 175.391 174.600 0.082 0.000 0.955 388 S CA -0.519 57.729 58.200 0.080 0.000 0.933 388 S CB -0.673 62.566 63.200 0.066 0.000 0.788 388 S HN 0.017 nan 8.310 nan 0.000 0.488 389 L N 2.543 123.833 121.223 0.112 0.000 2.513 389 L HA 0.092 4.435 4.340 0.004 0.000 0.272 389 L C 1.045 177.952 176.870 0.062 0.000 1.187 389 L CA 0.906 55.791 54.840 0.074 0.000 0.895 389 L CB 0.468 42.588 42.059 0.101 0.000 1.147 389 L HN 0.150 nan 8.230 nan 0.000 0.483 390 Q N 1.627 121.452 119.800 0.041 0.000 2.387 390 Q HA 0.181 4.523 4.340 0.004 0.000 0.208 390 Q C -0.229 175.793 176.000 0.037 0.000 0.935 390 Q CA 0.551 56.381 55.803 0.046 0.000 0.891 390 Q CB 0.571 29.335 28.738 0.044 0.000 1.007 390 Q HN 0.693 nan 8.270 nan 0.000 0.548 391 T N 1.351 115.917 114.554 0.020 0.000 2.807 391 T HA 0.508 4.860 4.350 0.004 0.000 0.279 391 T C -1.377 173.210 174.700 -0.187 0.000 0.993 391 T CA -0.437 61.655 62.100 -0.013 0.000 0.970 391 T CB 1.578 70.520 68.868 0.124 0.000 0.950 391 T HN -0.067 nan 8.240 nan 0.000 0.441 392 L N 4.601 125.729 121.223 -0.159 0.000 2.406 392 L HA 0.669 5.011 4.340 0.004 0.000 0.272 392 L C -1.251 175.508 176.870 -0.185 0.000 0.980 392 L CA -0.681 54.012 54.840 -0.244 0.000 0.831 392 L CB 1.595 43.586 42.059 -0.114 0.000 1.253 392 L HN 0.451 nan 8.230 nan 0.000 0.406 393 V N 7.204 126.939 119.914 -0.298 0.000 2.328 393 V HA 0.376 4.499 4.120 0.004 0.000 0.278 393 V C 0.446 176.471 176.094 -0.115 0.000 1.021 393 V CA -0.186 62.016 62.300 -0.164 0.000 0.838 393 V CB 1.297 33.010 31.823 -0.184 0.000 0.999 393 V HN 0.704 nan 8.190 nan 0.000 0.447 394 L N 3.253 124.459 121.223 -0.030 0.000 3.202 394 L HA 0.293 4.635 4.340 0.004 0.000 0.278 394 L C 1.075 177.946 176.870 0.002 0.000 1.268 394 L CA 0.183 55.017 54.840 -0.011 0.000 1.034 394 L CB 0.956 43.043 42.059 0.046 0.000 1.407 394 L HN 0.659 nan 8.230 nan 0.000 0.581 395 S N 0.731 116.431 115.700 -0.000 0.000 2.563 395 S HA -0.008 4.464 4.470 0.004 0.000 0.284 395 S C 0.641 175.219 174.600 -0.036 0.000 1.331 395 S CA 0.238 58.439 58.200 0.002 0.000 1.047 395 S CB 0.253 63.457 63.200 0.008 0.000 0.859 395 S HN 0.482 nan 8.310 nan 0.000 0.514 396 Q N 1.444 121.216 119.800 -0.047 0.000 2.448 396 Q HA -0.240 4.102 4.340 0.004 0.000 0.356 396 Q C -0.672 175.232 176.000 -0.161 0.000 1.430 396 Q CA 0.734 56.485 55.803 -0.087 0.000 1.011 396 Q CB -1.453 27.246 28.738 -0.065 0.000 1.203 396 Q HN 0.696 nan 8.270 nan 0.000 0.351 397 N N -0.813 117.768 118.700 -0.200 0.000 3.427 397 N HA 0.404 5.147 4.740 0.004 0.000 0.364 397 N C -0.311 174.952 175.510 -0.411 0.000 1.538 397 N CA -0.706 52.148 53.050 -0.327 0.000 0.662 397 N CB 0.631 39.019 38.487 -0.165 0.000 1.881 397 N HN 0.213 nan 8.380 nan 0.000 0.634 398 H N 0.173 119.205 119.070 -0.062 0.000 2.481 398 H HA 0.376 4.934 4.556 0.004 0.000 0.273 398 H C -0.642 174.606 175.328 -0.132 0.000 1.145 398 H CA -0.205 55.787 56.048 -0.093 0.000 0.964 398 H CB -0.408 29.330 29.762 -0.040 0.000 1.722 398 H HN 0.182 nan 8.280 nan 0.000 0.573 399 L N 0.419 121.566 121.223 -0.127 0.000 2.417 399 L HA 0.251 4.594 4.340 0.004 0.000 0.268 399 L C 1.265 177.853 176.870 -0.470 0.000 1.158 399 L CA 0.247 54.978 54.840 -0.182 0.000 0.819 399 L CB 1.136 43.132 42.059 -0.105 0.000 1.112 399 L HN 0.152 nan 8.230 nan 0.000 0.458 400 R N -0.006 120.330 120.500 -0.273 0.000 2.576 400 R HA 0.101 4.444 4.340 0.004 0.000 0.237 400 R C 0.006 176.331 176.300 0.042 0.000 0.917 400 R CA -0.017 55.864 56.100 -0.364 0.000 1.002 400 R CB 0.970 31.040 30.300 -0.384 0.000 1.428 400 R HN 0.567 nan 8.270 nan 0.000 0.603 401 S N 0.392 116.265 115.700 0.289 0.000 2.566 401 S HA 0.288 4.760 4.470 0.004 0.000 0.324 401 S C 0.930 175.733 174.600 0.338 0.000 1.081 401 S CA -0.564 57.855 58.200 0.364 0.000 1.105 401 S CB 0.893 64.229 63.200 0.227 0.000 0.981 401 S HN 0.123 nan 8.310 nan 0.000 0.464 402 M N 3.352 123.061 119.600 0.182 0.000 2.159 402 M HA -0.140 4.342 4.480 0.004 0.000 0.263 402 M C 2.287 178.518 176.300 -0.114 0.000 1.063 402 M CA 1.522 56.791 55.300 -0.052 0.000 1.110 402 M CB -0.356 32.165 32.600 -0.132 0.000 1.374 402 M HN 0.843 nan 8.290 nan 0.000 0.411 403 Q N 0.805 120.560 119.800 -0.075 0.000 2.084 403 Q HA -0.175 4.167 4.340 0.004 0.000 0.202 403 Q C 1.814 177.687 176.000 -0.213 0.000 0.978 403 Q CA 1.494 57.191 55.803 -0.175 0.000 0.844 403 Q CB 0.159 28.853 28.738 -0.074 0.000 0.898 403 Q HN 0.421 nan 8.270 nan 0.000 0.426 404 K N -0.648 119.697 120.400 -0.092 0.000 2.103 404 K HA -0.049 4.274 4.320 0.004 0.000 0.204 404 K C 2.173 178.715 176.600 -0.096 0.000 1.052 404 K CA 1.488 57.730 56.287 -0.076 0.000 0.945 404 K CB -0.040 32.459 32.500 -0.002 0.000 0.722 404 K HN 0.212 nan 8.250 nan 0.000 0.443 405 T N 0.669 115.190 114.554 -0.054 0.000 2.635 405 T HA -0.164 4.189 4.350 0.004 0.000 0.267 405 T C 1.954 176.554 174.700 -0.166 0.000 1.040 405 T CA 1.774 63.869 62.100 -0.009 0.000 1.156 405 T CB -0.657 68.299 68.868 0.148 0.000 0.863 405 T HN 0.484 nan 8.240 nan 0.000 0.430 406 G N 0.590 109.055 108.800 -0.560 0.000 2.440 406 G HA2 -0.248 3.714 3.960 0.004 0.000 0.218 406 G HA3 -0.248 3.714 3.960 0.004 0.000 0.218 406 G C 1.412 176.033 174.900 -0.465 0.000 1.154 406 G CA 1.098 45.639 45.100 -0.932 0.000 0.767 406 G HN 0.576 nan 8.290 nan 0.000 0.552 407 E N -0.076 119.907 120.200 -0.362 0.000 2.047 407 E HA -0.080 4.273 4.350 0.004 0.000 0.191 407 E C 2.531 179.057 176.600 -0.125 0.000 0.987 407 E CA 0.610 56.883 56.400 -0.212 0.000 0.799 407 E CB -0.172 29.428 29.700 -0.167 0.000 0.752 407 E HN 0.490 nan 8.360 nan 0.000 0.449 408 I N 1.029 121.540 120.570 -0.097 0.000 2.194 408 I HA -0.317 3.856 4.170 0.004 0.000 0.246 408 I C 2.219 178.320 176.117 -0.026 0.000 1.093 408 I CA 1.071 62.341 61.300 -0.051 0.000 1.355 408 I CB -0.130 37.857 38.000 -0.022 0.000 1.046 408 I HN 0.213 nan 8.210 nan 0.000 0.413 409 L N 0.033 121.254 121.223 -0.002 0.000 2.456 409 L HA -0.143 4.199 4.340 0.004 0.000 0.224 409 L C 2.222 179.123 176.870 0.051 0.000 1.148 409 L CA 0.458 55.335 54.840 0.060 0.000 0.825 409 L CB -0.401 41.737 42.059 0.131 0.000 0.937 409 L HN 0.316 nan 8.230 nan 0.000 0.450 410 L N -0.089 121.137 121.223 0.004 0.000 2.349 410 L HA -0.197 4.146 4.340 0.004 0.000 0.220 410 L C 2.620 179.500 176.870 0.017 0.000 1.130 410 L CA 1.608 56.455 54.840 0.011 0.000 0.791 410 L CB -0.857 41.189 42.059 -0.022 0.000 0.918 410 L HN 0.472 nan 8.230 nan 0.000 0.444 411 T N -2.713 111.844 114.554 0.004 0.000 3.035 411 T HA -0.045 4.308 4.350 0.004 0.000 0.268 411 T C 0.987 175.701 174.700 0.023 0.000 1.109 411 T CA 0.358 62.454 62.100 -0.007 0.000 1.119 411 T CB -0.328 68.513 68.868 -0.045 0.000 0.900 411 T HN 0.200 nan 8.240 nan 0.000 0.503 412 L N 1.777 123.038 121.223 0.063 0.000 2.422 412 L HA 0.323 4.665 4.340 0.004 0.000 0.256 412 L C 1.206 178.131 176.870 0.092 0.000 1.202 412 L CA -0.798 54.106 54.840 0.108 0.000 1.119 412 L CB 0.308 42.473 42.059 0.177 0.000 1.383 412 L HN -0.017 nan 8.230 nan 0.000 0.411 413 K N 0.550 120.991 120.400 0.067 0.000 2.113 413 K HA -0.151 4.171 4.320 0.004 0.000 0.208 413 K C 1.242 177.881 176.600 0.065 0.000 1.047 413 K CA 1.182 57.504 56.287 0.058 0.000 0.928 413 K CB -0.072 32.452 32.500 0.040 0.000 0.716 413 K HN 0.466 nan 8.250 nan 0.000 0.446 414 N N 0.826 119.569 118.700 0.072 0.000 2.383 414 N HA -0.025 4.718 4.740 0.004 0.000 0.192 414 N C -0.172 175.384 175.510 0.076 0.000 1.141 414 N CA -0.126 52.965 53.050 0.068 0.000 0.851 414 N CB 0.117 38.642 38.487 0.064 0.000 0.976 414 N HN 0.037 nan 8.380 nan 0.000 0.465 415 L N 1.471 122.749 121.223 0.093 0.000 2.462 415 L HA 0.037 4.379 4.340 0.004 0.000 0.272 415 L C 1.557 178.482 176.870 0.092 0.000 1.166 415 L CA 0.735 55.634 54.840 0.098 0.000 0.880 415 L CB 0.935 43.069 42.059 0.126 0.000 1.142 415 L HN 0.032 nan 8.230 nan 0.000 0.473 416 T N -1.444 113.159 114.554 0.082 0.000 2.959 416 T HA 0.268 4.620 4.350 0.004 0.000 0.254 416 T C 0.331 175.101 174.700 0.116 0.000 1.003 416 T CA 0.389 62.539 62.100 0.084 0.000 0.950 416 T CB -0.031 68.874 68.868 0.062 0.000 1.090 416 T HN 0.603 nan 8.240 nan 0.000 0.503 417 S N 0.947 116.719 115.700 0.120 0.000 2.548 417 S HA 0.771 5.244 4.470 0.004 0.000 0.276 417 S C -1.539 173.181 174.600 0.201 0.000 1.129 417 S CA -0.945 57.385 58.200 0.217 0.000 0.931 417 S CB 2.300 65.570 63.200 0.116 0.000 1.068 417 S HN 0.297 nan 8.310 nan 0.000 0.480 418 L N 2.013 123.390 121.223 0.257 0.000 2.410 418 L HA 0.752 5.094 4.340 0.004 0.000 0.270 418 L C -1.704 175.277 176.870 0.184 0.000 0.983 418 L CA -0.219 54.721 54.840 0.167 0.000 0.822 418 L CB 1.951 44.081 42.059 0.118 0.000 1.285 418 L HN 0.912 nan 8.230 nan 0.000 0.409 419 D N 5.067 125.563 120.400 0.160 0.000 2.453 419 D HA 0.368 5.010 4.640 0.004 0.000 0.238 419 D C 0.070 176.430 176.300 0.101 0.000 1.088 419 D CA -0.261 53.827 54.000 0.147 0.000 0.854 419 D CB 0.759 41.659 40.800 0.167 0.000 1.076 419 D HN 0.556 nan 8.370 nan 0.000 0.533 420 I N 1.173 121.804 120.570 0.103 0.000 3.707 420 I HA 0.255 4.427 4.170 0.004 0.000 0.330 420 I C 0.458 176.699 176.117 0.206 0.000 1.572 420 I CA -0.731 60.682 61.300 0.190 0.000 1.104 420 I CB 0.044 38.230 38.000 0.310 0.000 1.240 420 I HN 0.140 nan 8.210 nan 0.000 0.475 421 S N 1.127 116.887 115.700 0.101 0.000 2.587 421 S HA 0.298 4.771 4.470 0.004 0.000 0.260 421 S C 0.852 175.486 174.600 0.057 0.000 1.353 421 S CA -0.260 57.981 58.200 0.068 0.000 0.995 421 S CB 0.482 63.687 63.200 0.008 0.000 0.912 421 S HN 0.631 nan 8.310 nan 0.000 0.568 422 R N 0.025 120.544 120.500 0.031 0.000 3.416 422 R HA -0.188 4.155 4.340 0.004 0.000 0.263 422 R C -1.254 175.024 176.300 -0.036 0.000 1.053 422 R CA 0.810 56.909 56.100 -0.002 0.000 0.705 422 R CB -2.419 27.873 30.300 -0.013 0.000 1.124 422 R HN 0.745 nan 8.270 nan 0.000 0.444 423 N N -0.585 118.083 118.700 -0.054 0.000 2.296 423 N HA 0.169 4.911 4.740 0.004 0.000 0.294 423 N C -0.683 174.649 175.510 -0.296 0.000 1.033 423 N CA -0.579 52.318 53.050 -0.255 0.000 0.839 423 N CB 1.750 39.922 38.487 -0.525 0.000 1.395 423 N HN 0.147 nan 8.380 nan 0.000 0.479 424 T N 0.031 114.426 114.554 -0.264 0.000 2.863 424 T HA 0.381 4.733 4.350 0.004 0.000 0.299 424 T C -0.235 174.292 174.700 -0.288 0.000 0.973 424 T CA -0.386 61.612 62.100 -0.169 0.000 0.994 424 T CB -0.881 67.933 68.868 -0.089 0.000 0.961 424 T HN 0.159 nan 8.240 nan 0.000 0.552 425 F N 2.643 122.554 119.950 -0.063 0.000 2.382 425 F HA 0.327 4.856 4.527 0.004 0.000 0.331 425 F C 1.657 177.411 175.800 -0.076 0.000 1.121 425 F CA -0.765 57.176 58.000 -0.097 0.000 1.183 425 F CB 0.715 39.712 39.000 -0.004 0.000 1.207 425 F HN 0.509 nan 8.300 nan 0.000 0.555 426 H N 1.145 120.361 119.070 0.244 0.000 2.671 426 H HA 0.157 4.716 4.556 0.004 0.000 0.372 426 H C -2.050 173.362 175.328 0.141 0.000 1.227 426 H CA -1.793 54.340 56.048 0.141 0.000 1.426 426 H CB -0.101 29.725 29.762 0.106 0.000 1.480 426 H HN 0.213 nan 8.280 nan 0.000 0.611 427 P HA -0.035 nan 4.420 nan 0.000 0.265 427 P C 0.475 177.848 177.300 0.121 0.000 1.193 427 P CA 0.195 63.375 63.100 0.133 0.000 0.765 427 P CB 0.334 32.087 31.700 0.088 0.000 0.823 428 M N 4.449 124.098 119.600 0.082 0.000 2.226 428 M HA 0.466 4.949 4.480 0.004 0.000 0.324 428 M C -2.276 174.052 176.300 0.046 0.000 1.112 428 M CA -1.423 53.914 55.300 0.062 0.000 1.176 428 M CB 0.160 32.783 32.600 0.038 0.000 1.430 428 M HN 0.122 nan 8.290 nan 0.000 0.462 429 P HA 0.289 nan 4.420 nan 0.000 0.284 429 P C -0.627 176.686 177.300 0.021 0.000 1.292 429 P CA -0.239 62.876 63.100 0.024 0.000 0.800 429 P CB 0.844 32.553 31.700 0.016 0.000 1.188 430 D N -1.212 119.194 120.400 0.011 0.000 2.162 430 D HA -0.032 4.610 4.640 0.004 0.000 0.203 430 D C 0.750 177.061 176.300 0.018 0.000 0.967 430 D CA 1.431 55.436 54.000 0.009 0.000 0.840 430 D CB -0.030 40.771 40.800 0.001 0.000 0.972 430 D HN 0.244 nan 8.370 nan 0.000 0.482 431 S N -0.502 115.206 115.700 0.014 0.000 2.478 431 S HA 0.545 5.017 4.470 0.004 0.000 0.312 431 S C -0.547 174.054 174.600 0.001 0.000 1.094 431 S CA -0.682 57.527 58.200 0.014 0.000 1.081 431 S CB 0.702 63.903 63.200 0.001 0.000 1.007 431 S HN 0.125 nan 8.310 nan 0.000 0.475 432 c N 2.580 121.189 118.600 0.014 0.000 3.259 432 c HA 0.706 5.279 4.570 0.004 0.000 0.328 432 c C -1.211 172.808 174.090 -0.119 0.000 1.425 432 c CA -0.692 55.590 56.329 -0.079 0.000 1.465 432 c CB 2.014 44.525 42.510 0.001 0.000 1.890 432 c HN 0.902 nan 8.230 nan 0.000 0.450 433 Q N -0.287 119.303 119.800 -0.350 0.000 2.271 433 Q HA 0.433 4.776 4.340 0.004 0.000 0.268 433 Q C -2.006 173.712 176.000 -0.470 0.000 1.021 433 Q CA -0.144 55.517 55.803 -0.235 0.000 0.802 433 Q CB 2.078 30.715 28.738 -0.170 0.000 1.282 433 Q HN 0.684 nan 8.270 nan 0.000 0.431 434 W N 1.734 123.033 121.300 -0.002 0.000 2.902 434 W HA 0.504 5.166 4.660 0.004 0.000 0.346 434 W C -2.252 174.275 176.519 0.013 0.000 1.139 434 W CA -2.016 55.331 57.345 0.005 0.000 1.139 434 W CB 0.277 29.736 29.460 -0.001 0.000 1.439 434 W HN 0.407 nan 8.180 nan 0.000 0.558 435 P HA -0.078 nan 4.420 nan 0.000 0.262 435 P C 0.732 178.122 177.300 0.150 0.000 1.182 435 P CA 0.461 63.664 63.100 0.172 0.000 0.761 435 P CB 0.754 32.556 31.700 0.171 0.000 0.795 436 E N 3.463 123.725 120.200 0.103 0.000 2.108 436 E HA -0.277 4.075 4.350 0.004 0.000 0.203 436 E C 0.536 177.180 176.600 0.074 0.000 1.022 436 E CA 1.730 58.179 56.400 0.081 0.000 0.823 436 E CB -0.067 29.667 29.700 0.058 0.000 0.744 436 E HN 0.377 nan 8.360 nan 0.000 0.456 437 K N -0.010 120.435 120.400 0.074 0.000 2.520 437 K HA 0.136 4.458 4.320 0.004 0.000 0.205 437 K C 0.060 176.702 176.600 0.070 0.000 1.035 437 K CA -0.313 56.013 56.287 0.063 0.000 1.188 437 K CB 0.034 32.568 32.500 0.057 0.000 0.894 437 K HN 0.276 nan 8.250 nan 0.000 0.497 438 M N 2.210 121.859 119.600 0.082 0.000 2.251 438 M HA 0.022 4.505 4.480 0.004 0.000 0.346 438 M C 0.824 177.148 176.300 0.041 0.000 1.499 438 M CA 0.367 55.712 55.300 0.074 0.000 1.128 438 M CB 0.309 32.959 32.600 0.082 0.000 1.809 438 M HN 0.138 nan 8.290 nan 0.000 0.464 439 R N 4.206 124.747 120.500 0.068 0.000 2.316 439 R HA 0.221 4.564 4.340 0.004 0.000 0.201 439 R C -0.325 176.031 176.300 0.095 0.000 0.888 439 R CA -0.138 56.000 56.100 0.063 0.000 1.041 439 R CB 0.351 30.696 30.300 0.075 0.000 1.115 439 R HN 0.535 nan 8.270 nan 0.000 0.559 440 F N 1.830 121.755 119.950 -0.041 0.000 2.449 440 F HA 0.541 5.071 4.527 0.005 0.000 0.342 440 F C -1.415 174.333 175.800 -0.086 0.000 1.127 440 F CA -1.590 56.382 58.000 -0.047 0.000 0.975 440 F CB 1.838 40.828 39.000 -0.018 0.000 1.146 440 F HN -0.094 nan 8.300 nan 0.000 0.444 441 L N 7.073 127.944 121.223 -0.585 0.000 2.406 441 L HA 0.483 4.826 4.340 0.004 0.000 0.272 441 L C -1.548 174.946 176.870 -0.627 0.000 0.980 441 L CA -0.380 54.159 54.840 -0.502 0.000 0.831 441 L CB 1.469 43.244 42.059 -0.473 0.000 1.253 441 L HN 0.643 nan 8.230 nan 0.000 0.406 442 N N 5.517 123.962 118.700 -0.424 0.000 2.469 442 N HA 0.378 5.120 4.740 0.004 0.000 0.253 442 N C -0.741 174.667 175.510 -0.170 0.000 0.970 442 N CA -0.202 52.663 53.050 -0.310 0.000 0.940 442 N CB 1.012 39.430 38.487 -0.115 0.000 1.128 442 N HN 0.741 nan 8.380 nan 0.000 0.503 443 L N 1.524 122.642 121.223 -0.174 0.000 3.141 443 L HA 0.244 4.586 4.340 0.004 0.000 0.267 443 L C 0.803 177.631 176.870 -0.071 0.000 1.281 443 L CA -0.260 54.522 54.840 -0.098 0.000 1.037 443 L CB 0.346 42.327 42.059 -0.130 0.000 1.407 443 L HN 0.334 nan 8.230 nan 0.000 0.566 444 S N -0.269 115.366 115.700 -0.108 0.000 2.576 444 S HA 0.147 4.619 4.470 0.004 0.000 0.276 444 S C 1.012 175.575 174.600 -0.062 0.000 1.339 444 S CA -0.054 58.063 58.200 -0.138 0.000 1.039 444 S CB 0.508 63.575 63.200 -0.223 0.000 0.902 444 S HN 0.450 nan 8.310 nan 0.000 0.516 445 S N 2.666 118.329 115.700 -0.063 0.000 3.477 445 S HA -0.142 4.331 4.470 0.004 0.000 0.371 445 S C 0.746 175.356 174.600 0.018 0.000 0.965 445 S CA 1.033 59.217 58.200 -0.025 0.000 1.239 445 S CB -1.908 61.272 63.200 -0.033 0.000 0.918 445 S HN 0.874 nan 8.310 nan 0.000 0.498 446 T N -0.803 113.781 114.554 0.050 0.000 3.023 446 T HA 0.441 4.793 4.350 0.004 0.000 0.253 446 T C 1.609 176.379 174.700 0.117 0.000 1.038 446 T CA 1.275 63.456 62.100 0.135 0.000 0.962 446 T CB -0.255 68.743 68.868 0.216 0.000 1.018 446 T HN 1.587 nan 8.240 nan 0.000 0.521 447 G N 2.062 110.901 108.800 0.066 0.000 2.179 447 G HA2 -0.236 3.727 3.960 0.004 0.000 0.260 447 G HA3 -0.236 3.727 3.960 0.004 0.000 0.260 447 G C 0.308 175.248 174.900 0.066 0.000 0.977 447 G CA 0.198 45.332 45.100 0.056 0.000 0.641 447 G HN 0.873 nan 8.290 nan 0.000 0.533 448 I N -1.818 118.799 120.570 0.078 0.000 2.872 448 I HA 0.405 4.577 4.170 0.004 0.000 0.291 448 I C 1.294 177.441 176.117 0.050 0.000 1.216 448 I CA 0.240 61.582 61.300 0.070 0.000 1.424 448 I CB 0.543 38.579 38.000 0.060 0.000 1.351 448 I HN 0.056 nan 8.210 nan 0.000 0.592 449 R N 3.392 123.920 120.500 0.046 0.000 2.206 449 R HA 0.377 4.720 4.340 0.004 0.000 0.198 449 R C -0.115 176.202 176.300 0.029 0.000 0.986 449 R CA 0.243 56.365 56.100 0.036 0.000 1.029 449 R CB 0.789 31.109 30.300 0.034 0.000 0.966 449 R HN 0.699 nan 8.270 nan 0.000 0.487 450 V N 0.221 120.149 119.914 0.023 0.000 3.120 450 V HA 0.398 4.520 4.120 0.004 0.000 0.303 450 V C -1.517 174.568 176.094 -0.015 0.000 1.238 450 V CA -0.835 61.467 62.300 0.002 0.000 1.008 450 V CB 2.524 34.342 31.823 -0.007 0.000 1.064 450 V HN -0.215 nan 8.190 nan 0.000 0.434 451 V N 5.262 125.138 119.914 -0.063 0.000 2.435 451 V HA 0.631 4.754 4.120 0.004 0.000 0.290 451 V C -0.009 176.000 176.094 -0.142 0.000 1.030 451 V CA -0.626 61.610 62.300 -0.106 0.000 0.881 451 V CB 1.491 33.202 31.823 -0.186 0.000 0.983 451 V HN 0.935 nan 8.190 nan 0.000 0.445 452 K N 1.101 121.446 120.400 -0.092 0.000 2.346 452 K HA 0.448 4.771 4.320 0.004 0.000 0.238 452 K C 0.682 177.249 176.600 -0.055 0.000 1.039 452 K CA -0.505 55.738 56.287 -0.073 0.000 0.861 452 K CB 1.652 34.134 32.500 -0.030 0.000 1.278 452 K HN 0.730 nan 8.250 nan 0.000 0.460 453 T N -2.399 112.135 114.554 -0.033 0.000 3.650 453 T HA -0.077 4.275 4.350 0.004 0.000 0.254 453 T C 1.412 176.137 174.700 0.042 0.000 1.130 453 T CA 0.126 62.222 62.100 -0.006 0.000 0.984 453 T CB -1.129 67.739 68.868 -0.001 0.000 1.039 453 T HN 0.587 nan 8.240 nan 0.000 0.586 454 c N 0.522 119.159 118.600 0.062 0.000 2.485 454 c HA 0.338 4.910 4.570 0.004 0.000 0.278 454 c C 0.947 175.183 174.090 0.244 0.000 1.356 454 c CA -0.608 55.818 56.329 0.162 0.000 1.747 454 c CB -1.122 41.478 42.510 0.152 0.000 2.001 454 c HN 0.589 nan 8.230 nan 0.000 0.501 455 I N 4.188 124.793 120.570 0.059 0.000 2.598 455 I HA 0.193 4.365 4.170 0.004 0.000 0.284 455 I C -1.542 174.542 176.117 -0.055 0.000 1.140 455 I CA -2.052 59.192 61.300 -0.093 0.000 1.420 455 I CB 0.229 38.171 38.000 -0.096 0.000 1.387 455 I HN 0.313 nan 8.210 nan 0.000 0.553 456 P HA 0.079 nan 4.420 nan 0.000 0.274 456 P C -0.247 177.025 177.300 -0.048 0.000 1.237 456 P CA -0.418 62.672 63.100 -0.017 0.000 0.793 456 P CB 0.757 32.470 31.700 0.023 0.000 0.977 457 Q N -0.228 119.555 119.800 -0.028 0.000 2.451 457 Q HA -0.029 4.314 4.340 0.004 0.000 0.206 457 Q C 1.543 177.509 176.000 -0.057 0.000 0.947 457 Q CA 0.944 56.709 55.803 -0.063 0.000 0.937 457 Q CB -0.275 28.411 28.738 -0.087 0.000 1.025 457 Q HN 0.618 nan 8.270 nan 0.000 0.511 458 T N -1.860 112.677 114.554 -0.029 0.000 3.113 458 T HA 0.007 4.360 4.350 0.004 0.000 0.263 458 T C 0.576 175.263 174.700 -0.022 0.000 1.143 458 T CA -0.119 61.972 62.100 -0.016 0.000 1.090 458 T CB 0.005 68.880 68.868 0.011 0.000 0.922 458 T HN -0.047 nan 8.240 nan 0.000 0.521 459 L N 2.139 123.335 121.223 -0.044 0.000 2.455 459 L HA 0.234 4.576 4.340 0.004 0.000 0.272 459 L C 1.190 178.049 176.870 -0.018 0.000 1.174 459 L CA 0.664 55.476 54.840 -0.047 0.000 0.869 459 L CB 0.534 42.541 42.059 -0.087 0.000 1.130 459 L HN 0.260 nan 8.230 nan 0.000 0.474 460 E N 2.029 122.230 120.200 0.002 0.000 2.434 460 E HA 0.176 4.529 4.350 0.004 0.000 0.207 460 E C -0.729 175.885 176.600 0.024 0.000 0.929 460 E CA 0.160 56.575 56.400 0.025 0.000 1.001 460 E CB 0.897 30.624 29.700 0.045 0.000 1.016 460 E HN 0.338 nan 8.360 nan 0.000 0.502 461 V N 2.203 122.116 119.914 -0.001 0.000 2.623 461 V HA 0.346 4.469 4.120 0.004 0.000 0.304 461 V C -1.274 174.684 176.094 -0.227 0.000 1.054 461 V CA -0.926 61.343 62.300 -0.051 0.000 0.882 461 V CB 2.143 34.032 31.823 0.109 0.000 1.002 461 V HN 0.035 nan 8.190 nan 0.000 0.424 462 L N 3.684 124.787 121.223 -0.201 0.000 2.406 462 L HA 0.745 5.087 4.340 0.004 0.000 0.272 462 L C -1.116 175.634 176.870 -0.200 0.000 0.980 462 L CA 0.063 54.762 54.840 -0.234 0.000 0.831 462 L CB 1.901 43.893 42.059 -0.111 0.000 1.253 462 L HN 0.686 nan 8.230 nan 0.000 0.406 463 D N 4.005 124.248 120.400 -0.261 0.000 2.414 463 D HA 0.395 5.037 4.640 0.004 0.000 0.232 463 D C -0.065 176.119 176.300 -0.194 0.000 1.070 463 D CA -0.058 53.821 54.000 -0.202 0.000 0.839 463 D CB 1.674 42.314 40.800 -0.267 0.000 1.079 463 D HN 0.430 nan 8.370 nan 0.000 0.521 464 V N 1.576 121.407 119.914 -0.139 0.000 2.909 464 V HA 0.295 4.418 4.120 0.004 0.000 0.362 464 V C 0.540 176.570 176.094 -0.107 0.000 1.356 464 V CA -0.584 61.666 62.300 -0.083 0.000 1.195 464 V CB -0.462 31.383 31.823 0.035 0.000 1.256 464 V HN 0.406 nan 8.190 nan 0.000 0.567 465 S N 0.043 115.594 115.700 -0.248 0.000 2.603 465 S HA 0.429 4.902 4.470 0.004 0.000 0.268 465 S C 0.583 175.069 174.600 -0.190 0.000 1.317 465 S CA 0.363 58.404 58.200 -0.266 0.000 1.012 465 S CB 0.616 63.425 63.200 -0.652 0.000 0.926 465 S HN 1.115 nan 8.310 nan 0.000 0.539 466 N N 0.878 119.508 118.700 -0.117 0.000 2.671 466 N HA -0.197 4.546 4.740 0.004 0.000 0.261 466 N C -0.865 174.619 175.510 -0.042 0.000 1.053 466 N CA 1.098 54.106 53.050 -0.070 0.000 0.732 466 N CB -1.851 36.586 38.487 -0.084 0.000 0.887 466 N HN 0.857 nan 8.380 nan 0.000 0.546 467 N N -0.382 118.305 118.700 -0.021 0.000 3.513 467 N HA 0.449 5.192 4.740 0.004 0.000 0.351 467 N C -0.855 174.662 175.510 0.013 0.000 1.624 467 N CA -0.826 52.225 53.050 0.002 0.000 0.712 467 N CB 0.514 39.007 38.487 0.011 0.000 2.106 467 N HN 0.256 nan 8.380 nan 0.000 0.649 468 N N 0.176 118.890 118.700 0.023 0.000 2.699 468 N HA 0.300 5.042 4.740 0.004 0.000 0.317 468 N C -1.492 174.037 175.510 0.031 0.000 1.661 468 N CA -0.187 52.877 53.050 0.024 0.000 0.979 468 N CB 0.419 38.920 38.487 0.025 0.000 1.329 468 N HN 0.146 nan 8.380 nan 0.000 0.497 469 L N 0.435 121.681 121.223 0.039 0.000 2.371 469 L HA 0.254 4.597 4.340 0.004 0.000 0.272 469 L C 1.008 177.907 176.870 0.048 0.000 1.124 469 L CA 0.435 55.308 54.840 0.054 0.000 0.816 469 L CB 1.150 43.262 42.059 0.088 0.000 1.129 469 L HN 0.191 nan 8.230 nan 0.000 0.448 470 D N -0.636 119.793 120.400 0.048 0.000 2.394 470 D HA 0.114 4.756 4.640 0.004 0.000 0.226 470 D C 0.258 176.593 176.300 0.057 0.000 0.990 470 D CA 0.725 54.749 54.000 0.039 0.000 0.902 470 D CB 0.666 41.482 40.800 0.026 0.000 1.038 470 D HN 0.611 nan 8.370 nan 0.000 0.499 471 S N -1.559 114.187 115.700 0.077 0.000 2.672 471 S HA 0.575 5.047 4.470 0.004 0.000 0.271 471 S C -1.602 173.105 174.600 0.179 0.000 1.171 471 S CA -1.018 57.250 58.200 0.114 0.000 0.817 471 S CB 1.483 64.724 63.200 0.068 0.000 1.150 471 S HN -0.017 nan 8.310 nan 0.000 0.478 472 F N 0.705 120.690 119.950 0.057 0.000 2.562 472 F HA 0.675 5.205 4.527 0.004 0.000 0.319 472 F C -0.113 175.717 175.800 0.050 0.000 1.154 472 F CA -0.249 57.796 58.000 0.074 0.000 0.931 472 F CB 2.270 41.356 39.000 0.143 0.000 1.198 472 F HN 0.625 nan 8.300 nan 0.000 0.444 473 S N 5.616 121.118 115.700 -0.330 0.000 2.941 473 S HA 0.286 4.759 4.470 0.004 0.000 0.251 473 S C -0.798 173.665 174.600 -0.228 0.000 1.029 473 S CA -0.258 57.843 58.200 -0.165 0.000 1.062 473 S CB -0.009 63.127 63.200 -0.107 0.000 0.977 473 S HN 0.405 nan 8.310 nan 0.000 0.552 474 L N 2.167 123.119 121.223 -0.451 0.000 2.276 474 L HA 0.503 4.845 4.340 0.004 0.000 0.286 474 L C -0.528 176.401 176.870 0.099 0.000 1.061 474 L CA -0.414 54.289 54.840 -0.229 0.000 0.807 474 L CB 0.433 42.232 42.059 -0.434 0.000 1.177 474 L HN 0.392 nan 8.230 nan 0.000 0.429 475 F N 6.121 126.024 119.950 -0.078 0.000 2.413 475 F HA 0.427 4.957 4.527 0.004 0.000 0.359 475 F C -0.622 175.175 175.800 -0.005 0.000 1.122 475 F CA -0.670 57.288 58.000 -0.071 0.000 1.160 475 F CB 0.316 39.272 39.000 -0.074 0.000 1.146 475 F HN 0.269 nan 8.300 nan 0.000 0.514 476 L N 9.457 130.601 121.223 -0.131 0.000 2.408 476 L HA 0.288 4.630 4.340 0.004 0.000 0.257 476 L C -1.829 174.860 176.870 -0.301 0.000 1.053 476 L CA -1.698 53.029 54.840 -0.188 0.000 0.922 476 L CB 1.054 43.157 42.059 0.073 0.000 1.261 476 L HN 0.495 nan 8.230 nan 0.000 0.458 477 P HA -0.205 nan 4.420 nan 0.000 0.218 477 P C 0.893 178.110 177.300 -0.139 0.000 1.152 477 P CA 1.572 64.390 63.100 -0.470 0.000 0.857 477 P CB 0.121 31.532 31.700 -0.483 0.000 0.787 478 R N -1.711 118.729 120.500 -0.100 0.000 2.393 478 R HA 0.200 4.542 4.340 0.004 0.000 0.244 478 R C 0.160 176.471 176.300 0.018 0.000 0.920 478 R CA -0.546 55.540 56.100 -0.022 0.000 1.076 478 R CB -0.318 29.968 30.300 -0.023 0.000 1.119 478 R HN 0.156 nan 8.270 nan 0.000 0.524 479 L N 2.312 123.563 121.223 0.047 0.000 2.597 479 L HA -0.041 4.302 4.340 0.004 0.000 0.271 479 L C 1.066 177.983 176.870 0.078 0.000 1.157 479 L CA 0.848 55.736 54.840 0.081 0.000 0.928 479 L CB 0.646 42.808 42.059 0.172 0.000 1.216 479 L HN 0.121 nan 8.230 nan 0.000 0.481 480 Q N 2.817 122.643 119.800 0.044 0.000 2.339 480 Q HA 0.125 4.467 4.340 0.004 0.000 0.205 480 Q C -0.009 175.996 176.000 0.008 0.000 0.925 480 Q CA 0.470 56.296 55.803 0.038 0.000 0.898 480 Q CB 0.677 29.440 28.738 0.042 0.000 1.013 480 Q HN 0.703 nan 8.270 nan 0.000 0.504 481 E N 0.518 120.706 120.200 -0.019 0.000 2.304 481 E HA 0.415 4.768 4.350 0.004 0.000 0.277 481 E C -2.061 174.466 176.600 -0.122 0.000 0.898 481 E CA -0.605 55.756 56.400 -0.065 0.000 0.764 481 E CB 1.744 31.428 29.700 -0.028 0.000 1.216 481 E HN -0.033 nan 8.360 nan 0.000 0.419 482 L N 4.639 125.738 121.223 -0.207 0.000 2.385 482 L HA 0.505 4.848 4.340 0.004 0.000 0.273 482 L C -2.112 174.647 176.870 -0.184 0.000 0.990 482 L CA -0.654 54.033 54.840 -0.256 0.000 0.821 482 L CB 1.571 43.335 42.059 -0.493 0.000 1.279 482 L HN 0.575 nan 8.230 nan 0.000 0.412 483 Y N 6.546 126.687 120.300 -0.265 0.000 2.388 483 Y HA 0.497 5.050 4.550 0.004 0.000 0.328 483 Y C -0.067 175.710 175.900 -0.205 0.000 0.963 483 Y CA -0.887 57.068 58.100 -0.243 0.000 1.240 483 Y CB 1.354 39.677 38.460 -0.229 0.000 1.118 483 Y HN 0.583 nan 8.280 nan 0.000 0.484 484 I N 3.026 123.645 120.570 0.082 0.000 4.102 484 I HA 0.161 4.334 4.170 0.004 0.000 0.325 484 I C 0.279 176.422 176.117 0.043 0.000 1.471 484 I CA 0.273 61.577 61.300 0.007 0.000 1.133 484 I CB -0.072 37.885 38.000 -0.072 0.000 1.184 484 I HN 0.407 nan 8.210 nan 0.000 0.451 485 S N 1.324 117.099 115.700 0.126 0.000 2.566 485 S HA 0.178 4.651 4.470 0.004 0.000 0.280 485 S C 0.531 175.148 174.600 0.029 0.000 1.343 485 S CA 0.099 58.351 58.200 0.087 0.000 1.036 485 S CB 0.319 63.627 63.200 0.179 0.000 0.866 485 S HN 0.397 nan 8.310 nan 0.000 0.526 486 R N 0.937 121.447 120.500 0.016 0.000 3.201 486 R HA -0.171 4.171 4.340 0.004 0.000 0.254 486 R C -0.890 175.407 176.300 -0.005 0.000 0.978 486 R CA 0.366 56.467 56.100 0.002 0.000 0.661 486 R CB -2.070 28.225 30.300 -0.008 0.000 1.170 486 R HN 0.681 nan 8.270 nan 0.000 0.430 487 N N -0.719 117.981 118.700 0.001 0.000 3.418 487 N HA 0.331 5.073 4.740 0.004 0.000 0.316 487 N C -0.524 174.988 175.510 0.003 0.000 1.601 487 N CA -1.069 51.985 53.050 0.007 0.000 0.805 487 N CB 0.850 39.350 38.487 0.022 0.000 1.873 487 N HN 0.065 nan 8.380 nan 0.000 0.615 488 K N 0.399 120.805 120.400 0.010 0.000 2.576 488 K HA 0.347 4.670 4.320 0.004 0.000 0.209 488 K C -0.797 175.806 176.600 0.005 0.000 1.049 488 K CA -0.217 56.071 56.287 0.002 0.000 1.140 488 K CB 0.033 32.537 32.500 0.006 0.000 0.871 488 K HN 0.139 nan 8.250 nan 0.000 0.479 489 L N 2.360 123.590 121.223 0.012 0.000 2.418 489 L HA 0.033 4.375 4.340 0.004 0.000 0.274 489 L C 1.333 178.199 176.870 -0.006 0.000 1.135 489 L CA 0.550 55.403 54.840 0.021 0.000 0.870 489 L CB 0.538 42.626 42.059 0.048 0.000 1.154 489 L HN 0.197 nan 8.230 nan 0.000 0.462 490 K N 0.167 120.565 120.400 -0.003 0.000 2.379 490 K HA 0.125 4.447 4.320 0.004 0.000 0.194 490 K C 0.505 177.101 176.600 -0.005 0.000 1.031 490 K CA 0.120 56.394 56.287 -0.022 0.000 1.037 490 K CB 0.330 32.820 32.500 -0.015 0.000 0.824 490 K HN 0.477 nan 8.250 nan 0.000 0.516 491 T N 0.979 115.545 114.554 0.021 0.000 2.921 491 T HA 0.283 4.636 4.350 0.004 0.000 0.297 491 T C -1.201 173.538 174.700 0.064 0.000 1.013 491 T CA -0.932 61.192 62.100 0.041 0.000 0.990 491 T CB 1.101 69.990 68.868 0.036 0.000 1.023 491 T HN 0.140 nan 8.240 nan 0.000 0.447 492 L N 7.876 129.145 121.223 0.078 0.000 2.615 492 L HA 0.281 4.624 4.340 0.004 0.000 0.284 492 L C -1.603 175.339 176.870 0.120 0.000 1.237 492 L CA -0.481 54.417 54.840 0.097 0.000 0.905 492 L CB 0.020 42.126 42.059 0.077 0.000 1.149 492 L HN 0.538 nan 8.230 nan 0.000 0.499 493 P HA -0.031 nan 4.420 nan 0.000 0.269 493 P C -0.781 176.654 177.300 0.225 0.000 1.217 493 P CA -0.391 62.861 63.100 0.253 0.000 0.783 493 P CB 0.383 32.345 31.700 0.436 0.000 0.898 494 D N 0.751 121.226 120.400 0.125 0.000 2.493 494 D HA 0.053 4.696 4.640 0.004 0.000 0.240 494 D C 1.297 177.626 176.300 0.048 0.000 1.142 494 D CA 0.157 54.183 54.000 0.044 0.000 0.872 494 D CB 0.855 41.638 40.800 -0.029 0.000 1.173 494 D HN 0.331 nan 8.370 nan 0.000 0.467 495 A N 2.968 125.832 122.820 0.073 0.000 2.067 495 A HA -0.133 4.190 4.320 0.004 0.000 0.219 495 A C 1.993 179.609 177.584 0.054 0.000 1.158 495 A CA 1.466 53.589 52.037 0.144 0.000 0.661 495 A CB -0.344 18.710 19.000 0.089 0.000 0.801 495 A HN 0.588 nan 8.150 nan 0.000 0.452 496 S N -0.084 115.583 115.700 -0.056 0.000 2.515 496 S HA 0.034 4.507 4.470 0.004 0.000 0.231 496 S C 1.473 175.975 174.600 -0.163 0.000 0.987 496 S CA 0.929 59.066 58.200 -0.105 0.000 0.936 496 S CB -0.493 62.608 63.200 -0.165 0.000 0.766 496 S HN 0.504 nan 8.310 nan 0.000 0.528 497 L N -0.542 120.506 121.223 -0.291 0.000 2.313 497 L HA 0.236 4.579 4.340 0.004 0.000 0.214 497 L C 0.023 176.683 176.870 -0.350 0.000 1.119 497 L CA 0.638 55.262 54.840 -0.360 0.000 0.809 497 L CB -0.274 41.297 42.059 -0.813 0.000 0.933 497 L HN 0.299 nan 8.230 nan 0.000 0.449 498 F N -0.315 119.767 119.950 0.221 0.000 2.449 498 F HA 0.314 4.844 4.527 0.004 0.000 0.329 498 F C -1.392 174.491 175.800 0.138 0.000 1.245 498 F CA -1.897 56.196 58.000 0.155 0.000 1.193 498 F CB -0.027 39.025 39.000 0.087 0.000 1.425 498 F HN -0.171 nan 8.300 nan 0.000 0.544 499 P HA -0.194 nan 4.420 nan 0.000 0.215 499 P C 1.169 178.570 177.300 0.168 0.000 1.157 499 P CA 1.667 64.889 63.100 0.203 0.000 0.868 499 P CB 0.169 31.990 31.700 0.201 0.000 0.788 500 V N -3.625 116.381 119.914 0.154 0.000 3.249 500 V HA 0.249 4.372 4.120 0.004 0.000 0.338 500 V C 0.851 177.013 176.094 0.114 0.000 1.363 500 V CA -0.568 61.801 62.300 0.116 0.000 1.205 500 V CB -0.937 30.936 31.823 0.083 0.000 1.164 500 V HN -0.069 nan 8.190 nan 0.000 0.458 501 L N 1.591 122.903 121.223 0.149 0.000 2.615 501 L HA 0.168 4.511 4.340 0.004 0.000 0.271 501 L C 1.073 177.981 176.870 0.064 0.000 1.183 501 L CA 0.531 55.428 54.840 0.095 0.000 0.933 501 L CB 1.191 43.298 42.059 0.080 0.000 1.199 501 L HN 0.452 nan 8.230 nan 0.000 0.487 502 L N 5.530 126.779 121.223 0.045 0.000 2.298 502 L HA 0.130 4.473 4.340 0.004 0.000 0.209 502 L C 0.085 176.985 176.870 0.050 0.000 1.084 502 L CA 0.305 55.175 54.840 0.050 0.000 0.816 502 L CB 0.097 42.184 42.059 0.047 0.000 0.967 502 L HN 0.355 nan 8.230 nan 0.000 0.460 503 V N 0.446 120.376 119.914 0.027 0.000 2.686 503 V HA 0.433 4.555 4.120 0.004 0.000 0.306 503 V C -0.751 175.324 176.094 -0.032 0.000 1.065 503 V CA -0.468 61.864 62.300 0.053 0.000 0.894 503 V CB 2.317 34.186 31.823 0.078 0.000 1.004 503 V HN 0.165 nan 8.190 nan 0.000 0.424 504 M N 4.705 124.319 119.600 0.023 0.000 2.327 504 M HA 0.648 5.131 4.480 0.004 0.000 0.298 504 M C -1.577 174.751 176.300 0.046 0.000 1.065 504 M CA -0.322 54.934 55.300 -0.073 0.000 0.916 504 M CB 2.018 34.549 32.600 -0.115 0.000 1.630 504 M HN 0.553 nan 8.290 nan 0.000 0.442 505 K N 5.695 126.026 120.400 -0.115 0.000 2.413 505 K HA 0.542 4.864 4.320 0.004 0.000 0.257 505 K C -0.794 175.772 176.600 -0.057 0.000 0.946 505 K CA -0.408 55.784 56.287 -0.158 0.000 0.823 505 K CB 2.185 34.239 32.500 -0.743 0.000 1.109 505 K HN 0.866 nan 8.250 nan 0.000 0.427 506 I N 1.944 122.530 120.570 0.027 0.000 3.297 506 I HA 0.174 4.347 4.170 0.004 0.000 0.321 506 I C -0.328 175.802 176.117 0.021 0.000 1.503 506 I CA -0.108 61.210 61.300 0.030 0.000 0.929 506 I CB 0.448 38.477 38.000 0.049 0.000 1.531 506 I HN 0.715 nan 8.210 nan 0.000 0.599 507 A N 0.149 122.951 122.820 -0.031 0.000 2.366 507 A HA 0.394 4.717 4.320 0.004 0.000 0.250 507 A C 1.080 178.629 177.584 -0.058 0.000 1.099 507 A CA 0.757 52.714 52.037 -0.133 0.000 0.794 507 A CB 0.020 18.743 19.000 -0.462 0.000 1.056 507 A HN 0.669 nan 8.150 nan 0.000 0.499 508 S N 0.623 116.299 115.700 -0.039 0.000 3.405 508 S HA -0.130 4.342 4.470 0.004 0.000 0.373 508 S C 0.568 175.148 174.600 -0.033 0.000 0.939 508 S CA 0.995 59.188 58.200 -0.012 0.000 1.295 508 S CB -1.205 62.011 63.200 0.028 0.000 0.919 508 S HN 0.765 nan 8.310 nan 0.000 0.535 509 N N 0.256 118.912 118.700 -0.072 0.000 2.118 509 N HA 0.053 4.796 4.740 0.004 0.000 0.226 509 N C -0.173 175.276 175.510 -0.102 0.000 1.305 509 N CA 0.115 53.125 53.050 -0.068 0.000 0.890 509 N CB 0.455 38.915 38.487 -0.045 0.000 1.118 509 N HN 0.631 nan 8.380 nan 0.000 0.511 510 Q N 0.622 120.324 119.800 -0.163 0.000 2.479 510 Q HA -0.125 4.217 4.340 0.004 0.000 0.282 510 Q C -0.895 174.976 176.000 -0.216 0.000 1.279 510 Q CA 0.508 56.208 55.803 -0.173 0.000 0.815 510 Q CB -1.840 26.842 28.738 -0.094 0.000 1.204 510 Q HN 0.343 nan 8.270 nan 0.000 0.444 511 L N 0.028 121.024 121.223 -0.378 0.000 2.334 511 L HA 0.269 4.611 4.340 0.004 0.000 0.277 511 L C 1.325 177.887 176.870 -0.513 0.000 1.075 511 L CA -0.240 54.365 54.840 -0.390 0.000 0.804 511 L CB 0.866 42.650 42.059 -0.459 0.000 1.174 511 L HN 0.088 nan 8.230 nan 0.000 0.438 512 K N 0.688 120.993 120.400 -0.158 0.000 2.335 512 K HA 0.166 4.489 4.320 0.004 0.000 0.195 512 K C 0.115 176.928 176.600 0.355 0.000 1.058 512 K CA 0.286 56.583 56.287 0.017 0.000 0.988 512 K CB 0.694 33.217 32.500 0.038 0.000 0.880 512 K HN 0.747 nan 8.250 nan 0.000 0.513 513 S N -0.508 115.429 115.700 0.396 0.000 2.615 513 S HA 0.458 4.931 4.470 0.004 0.000 0.268 513 S C -0.923 173.884 174.600 0.344 0.000 1.146 513 S CA -1.118 57.358 58.200 0.460 0.000 0.818 513 S CB 1.318 64.658 63.200 0.233 0.000 1.111 513 S HN -0.042 nan 8.310 nan 0.000 0.465 514 V N -1.995 118.040 119.914 0.201 0.000 2.815 514 V HA 0.857 4.980 4.120 0.004 0.000 0.314 514 V C -3.086 172.993 176.094 -0.025 0.000 1.064 514 V CA -2.524 59.807 62.300 0.053 0.000 0.952 514 V CB 0.525 32.299 31.823 -0.081 0.000 1.020 514 V HN 0.799 nan 8.190 nan 0.000 0.439 515 P HA 0.259 nan 4.420 nan 0.000 0.268 515 P C -0.895 176.256 177.300 -0.249 0.000 1.204 515 P CA 0.109 63.127 63.100 -0.137 0.000 0.768 515 P CB 0.103 31.718 31.700 -0.143 0.000 0.842 516 D N 1.523 121.763 120.400 -0.267 0.000 2.488 516 D HA 0.291 4.934 4.640 0.004 0.000 0.238 516 D C 1.584 177.383 176.300 -0.835 0.000 1.138 516 D CA 1.441 55.117 54.000 -0.540 0.000 0.873 516 D CB -0.170 40.441 40.800 -0.315 0.000 1.183 516 D HN 0.647 nan 8.370 nan 0.000 0.458 517 G N 1.607 109.318 108.800 -1.815 0.000 2.175 517 G HA2 -0.390 3.573 3.960 0.004 0.000 0.265 517 G HA3 -0.390 3.573 3.960 0.004 0.000 0.265 517 G C 1.148 175.753 174.900 -0.492 0.000 0.979 517 G CA 0.499 44.963 45.100 -1.060 0.000 0.663 517 G HN 0.554 nan 8.290 nan 0.000 0.533 518 I N -0.025 120.229 120.570 -0.528 0.000 2.185 518 I HA -0.120 4.052 4.170 0.004 0.000 0.246 518 I C 2.363 178.288 176.117 -0.320 0.000 1.088 518 I CA 2.061 63.112 61.300 -0.414 0.000 1.347 518 I CB -0.312 37.345 38.000 -0.571 0.000 1.041 518 I HN 0.221 nan 8.210 nan 0.000 0.415 519 F N 0.450 120.317 119.950 -0.138 0.000 2.451 519 F HA -0.139 4.391 4.527 0.004 0.000 0.299 519 F C 2.237 178.031 175.800 -0.010 0.000 1.101 519 F CA 0.905 58.777 58.000 -0.213 0.000 1.436 519 F CB -0.994 37.543 39.000 -0.773 0.000 1.074 519 F HN 0.149 nan 8.300 nan 0.000 0.553 520 D N 0.062 120.561 120.400 0.166 0.000 2.178 520 D HA -0.097 4.545 4.640 0.004 0.000 0.202 520 D C 2.198 178.559 176.300 0.102 0.000 0.974 520 D CA 0.817 54.907 54.000 0.151 0.000 0.841 520 D CB -0.186 40.671 40.800 0.095 0.000 0.953 520 D HN 0.297 nan 8.370 nan 0.000 0.478 521 R N -0.117 120.416 120.500 0.056 0.000 2.235 521 R HA 0.090 4.433 4.340 0.004 0.000 0.213 521 R C 0.728 177.086 176.300 0.096 0.000 1.059 521 R CA 0.278 56.408 56.100 0.049 0.000 0.997 521 R CB 0.148 30.449 30.300 0.001 0.000 0.884 521 R HN 0.124 nan 8.270 nan 0.000 0.462 522 L N 2.042 123.347 121.223 0.136 0.000 2.657 522 L HA 0.127 4.469 4.340 0.004 0.000 0.239 522 L C 1.192 178.159 176.870 0.162 0.000 1.215 522 L CA -0.324 54.617 54.840 0.168 0.000 1.161 522 L CB 0.833 43.015 42.059 0.206 0.000 1.436 522 L HN 0.133 nan 8.230 nan 0.000 0.414 523 T N -4.695 109.940 114.554 0.135 0.000 3.118 523 T HA -0.099 4.254 4.350 0.004 0.000 0.269 523 T C 1.286 176.051 174.700 0.109 0.000 1.166 523 T CA 1.156 63.327 62.100 0.119 0.000 1.073 523 T CB 0.001 68.926 68.868 0.095 0.000 0.884 523 T HN 0.387 nan 8.240 nan 0.000 0.550 524 S N -0.411 115.358 115.700 0.113 0.000 2.632 524 S HA 0.363 4.836 4.470 0.004 0.000 0.237 524 S C 0.158 174.812 174.600 0.091 0.000 1.037 524 S CA -0.681 57.575 58.200 0.093 0.000 1.009 524 S CB 0.112 63.364 63.200 0.087 0.000 0.974 524 S HN 0.410 nan 8.310 nan 0.000 0.544 525 L N 3.879 125.170 121.223 0.113 0.000 2.601 525 L HA -0.000 4.342 4.340 0.004 0.000 0.277 525 L C 1.219 178.140 176.870 0.084 0.000 1.219 525 L CA 1.075 55.979 54.840 0.107 0.000 0.915 525 L CB 0.411 42.558 42.059 0.146 0.000 1.160 525 L HN 0.316 nan 8.230 nan 0.000 0.494 526 Q N 2.792 122.624 119.800 0.055 0.000 2.342 526 Q HA 0.273 4.615 4.340 0.004 0.000 0.261 526 Q C -0.205 175.785 176.000 -0.017 0.000 0.841 526 Q CA -0.073 55.740 55.803 0.017 0.000 0.969 526 Q CB 0.737 29.482 28.738 0.013 0.000 1.136 526 Q HN 0.545 nan 8.270 nan 0.000 0.528 527 K N 0.801 121.207 120.400 0.011 0.000 2.464 527 K HA 0.666 4.988 4.320 0.004 0.000 0.253 527 K C -1.796 174.826 176.600 0.037 0.000 0.933 527 K CA -0.514 55.742 56.287 -0.051 0.000 0.801 527 K CB 3.178 35.658 32.500 -0.034 0.000 1.271 527 K HN 0.103 nan 8.250 nan 0.000 0.430 528 I N 0.946 121.474 120.570 -0.071 0.000 2.752 528 I HA 0.422 4.594 4.170 0.004 0.000 0.295 528 I C -1.553 174.583 176.117 0.031 0.000 1.219 528 I CA -0.609 60.756 61.300 0.108 0.000 1.030 528 I CB 1.554 39.601 38.000 0.078 0.000 1.259 528 I HN 0.677 nan 8.210 nan 0.000 0.423 529 W N 8.143 129.423 121.300 -0.032 0.000 2.361 529 W HA 0.415 5.077 4.660 0.004 0.000 0.314 529 W C -0.258 176.256 176.519 -0.009 0.000 1.041 529 W CA -0.465 56.855 57.345 -0.041 0.000 1.241 529 W CB 1.825 31.200 29.460 -0.142 0.000 1.279 529 W HN 0.490 nan 8.180 nan 0.000 0.436 530 L N 2.563 123.923 121.223 0.229 0.000 2.920 530 L HA 0.011 4.353 4.340 0.004 0.000 0.257 530 L C 0.910 178.021 176.870 0.402 0.000 1.150 530 L CA -0.287 54.769 54.840 0.359 0.000 0.959 530 L CB -0.157 42.153 42.059 0.418 0.000 1.321 530 L HN 0.417 nan 8.230 nan 0.000 0.555 531 H N -1.248 118.015 119.070 0.322 0.000 2.913 531 H HA 0.062 4.620 4.556 0.004 0.000 0.365 531 H C 0.355 175.800 175.328 0.194 0.000 1.155 531 H CA 0.344 56.553 56.048 0.269 0.000 1.417 531 H CB -0.060 29.815 29.762 0.189 0.000 1.386 531 H HN 0.054 nan 8.280 nan 0.000 0.614 532 T N 1.214 115.984 114.554 0.360 0.000 4.056 532 T HA -0.207 4.146 4.350 0.004 0.000 0.356 532 T C -0.574 174.129 174.700 0.004 0.000 0.757 532 T CA 0.862 63.079 62.100 0.195 0.000 1.949 532 T CB -2.058 66.968 68.868 0.263 0.000 1.834 532 T HN 0.904 nan 8.240 nan 0.000 0.846 533 N N 1.017 119.639 118.700 -0.131 0.000 2.262 533 N HA 0.374 5.117 4.740 0.004 0.000 0.295 533 N C -2.732 172.491 175.510 -0.479 0.000 1.161 533 N CA -1.584 51.192 53.050 -0.455 0.000 0.767 533 N CB 2.680 40.586 38.487 -0.969 0.000 1.499 533 N HN -0.014 nan 8.380 nan 0.000 0.476 534 P HA 0.121 nan 4.420 nan 0.000 0.218 534 P C -0.571 176.643 177.300 -0.144 0.000 1.793 534 P CA -0.248 62.737 63.100 -0.191 0.000 0.941 534 P CB -0.797 30.828 31.700 -0.124 0.000 1.919 535 W N 1.177 122.507 121.300 0.050 0.000 2.293 535 W HA -0.000 4.662 4.660 0.004 0.000 0.342 535 W C 0.939 177.484 176.519 0.043 0.000 1.274 535 W CA -0.249 57.126 57.345 0.050 0.000 1.290 535 W CB 0.212 29.707 29.460 0.059 0.000 1.176 535 W HN 0.230 nan 8.180 nan 0.000 0.570 536 D N 3.541 124.135 120.400 0.323 0.000 2.412 536 D HA 0.268 4.911 4.640 0.004 0.000 0.224 536 D C -1.066 175.336 176.300 0.169 0.000 1.093 536 D CA -0.395 53.718 54.000 0.189 0.000 0.850 536 D CB 0.234 41.117 40.800 0.138 0.000 1.046 536 D HN 0.196 nan 8.370 nan 0.000 0.507 537 c N 3.481 122.162 118.600 0.136 0.000 2.401 537 c HA 0.872 5.444 4.570 0.004 0.000 0.365 537 c C 0.588 174.720 174.090 0.070 0.000 1.250 537 c CA -0.251 56.135 56.329 0.095 0.000 2.131 537 c CB -0.235 42.325 42.510 0.082 0.000 2.445 537 c HN 0.852 nan 8.230 nan 0.000 0.550 538 S N 1.172 116.906 115.700 0.058 0.000 2.979 538 S HA 0.320 4.792 4.470 0.004 0.000 0.302 538 S C -0.010 174.614 174.600 0.040 0.000 1.250 538 S CA -0.173 58.055 58.200 0.047 0.000 1.148 538 S CB 0.254 63.483 63.200 0.048 0.000 1.409 538 S HN 0.566 nan 8.310 nan 0.000 0.517 539 c N 1.799 120.421 118.600 0.036 0.000 2.480 539 c HA 0.445 5.018 4.570 0.004 0.000 0.304 539 c C -0.649 173.462 174.090 0.036 0.000 1.399 539 c CA 0.788 57.137 56.329 0.033 0.000 1.900 539 c CB -0.823 41.703 42.510 0.026 0.000 2.194 539 c HN 0.860 nan 8.230 nan 0.000 0.550 540 P HA 0.006 nan 4.420 nan 0.000 0.242 540 P C 0.199 177.524 177.300 0.041 0.000 1.197 540 P CA 1.121 64.241 63.100 0.034 0.000 0.765 540 P CB 0.242 31.959 31.700 0.028 0.000 0.936 541 R N -0.663 119.868 120.500 0.051 0.000 2.922 541 R HA 0.436 4.778 4.340 0.004 0.000 0.256 541 R C 0.679 177.022 176.300 0.071 0.000 1.138 541 R CA -1.014 55.125 56.100 0.064 0.000 0.995 541 R CB 0.442 30.785 30.300 0.071 0.000 1.226 541 R HN -0.180 nan 8.270 nan 0.000 0.481 542 I N -2.034 118.585 120.570 0.082 0.000 4.613 542 I HA -0.357 3.815 4.170 0.004 0.000 0.257 542 I C 0.384 176.534 176.117 0.055 0.000 1.288 542 I CA 1.700 63.039 61.300 0.066 0.000 2.128 542 I CB -1.440 36.593 38.000 0.053 0.000 2.143 542 I HN 0.742 nan 8.210 nan 0.000 0.442 543 D N 0.079 120.529 120.400 0.082 0.000 2.194 543 D HA -0.180 4.463 4.640 0.004 0.000 0.204 543 D C 1.660 178.028 176.300 0.112 0.000 0.964 543 D CA 1.604 55.651 54.000 0.078 0.000 0.846 543 D CB -0.081 40.767 40.800 0.079 0.000 0.962 543 D HN 0.658 nan 8.370 nan 0.000 0.490 544 Y N 0.541 120.861 120.300 0.033 0.000 2.130 544 Y HA -0.062 4.491 4.550 0.004 0.000 0.287 544 Y C 2.012 177.979 175.900 0.112 0.000 1.124 544 Y CA 1.306 59.444 58.100 0.063 0.000 1.118 544 Y CB -0.961 37.512 38.460 0.022 0.000 0.994 544 Y HN 0.053 nan 8.280 nan 0.000 0.497 545 L N -0.016 121.188 121.223 -0.031 0.000 1.997 545 L HA -0.254 4.089 4.340 0.004 0.000 0.216 545 L C 2.678 179.488 176.870 -0.100 0.000 1.074 545 L CA 2.435 57.210 54.840 -0.108 0.000 0.763 545 L CB -1.687 40.276 42.059 -0.160 0.000 0.890 545 L HN 0.432 nan 8.230 nan 0.000 0.434 546 S N -0.690 114.958 115.700 -0.086 0.000 2.377 546 S HA -0.296 4.177 4.470 0.004 0.000 0.224 546 S C 2.145 176.703 174.600 -0.071 0.000 1.042 546 S CA 2.008 60.163 58.200 -0.075 0.000 1.086 546 S CB -0.288 62.888 63.200 -0.040 0.000 0.995 546 S HN 0.580 nan 8.310 nan 0.000 0.428 547 R N -1.177 119.290 120.500 -0.055 0.000 2.091 547 R HA -0.134 4.208 4.340 0.004 0.000 0.238 547 R C 2.167 178.409 176.300 -0.097 0.000 1.136 547 R CA 1.760 57.824 56.100 -0.060 0.000 0.959 547 R CB -0.532 29.760 30.300 -0.014 0.000 0.856 547 R HN 0.630 nan 8.270 nan 0.000 0.437 548 W N 1.385 122.488 121.300 -0.329 0.000 2.355 548 W HA -0.124 4.538 4.660 0.004 0.000 0.309 548 W C 1.688 178.029 176.519 -0.296 0.000 1.206 548 W CA 1.308 58.438 57.345 -0.359 0.000 1.284 548 W CB -0.291 28.842 29.460 -0.546 0.000 1.145 548 W HN -0.047 nan 8.180 nan 0.000 0.502 549 L N 0.580 121.781 121.223 -0.037 0.000 2.083 549 L HA -0.279 4.064 4.340 0.004 0.000 0.209 549 L C 2.599 179.309 176.870 -0.268 0.000 1.083 549 L CA 1.585 56.328 54.840 -0.162 0.000 0.752 549 L CB -1.084 40.925 42.059 -0.084 0.000 0.899 549 L HN 0.179 nan 8.230 nan 0.000 0.433 550 N N 1.458 120.034 118.700 -0.207 0.000 2.084 550 N HA -0.196 4.547 4.740 0.004 0.000 0.190 550 N C 1.355 176.723 175.510 -0.238 0.000 1.030 550 N CA 1.485 54.424 53.050 -0.186 0.000 0.849 550 N CB 0.132 38.542 38.487 -0.128 0.000 1.012 550 N HN 0.474 nan 8.380 nan 0.000 0.423 551 K N -0.906 119.312 120.400 -0.304 0.000 2.446 551 K HA 0.204 4.526 4.320 0.004 0.000 0.203 551 K C -0.000 176.319 176.600 -0.469 0.000 1.027 551 K CA -0.016 56.080 56.287 -0.319 0.000 1.166 551 K CB 0.374 32.727 32.500 -0.246 0.000 0.869 551 K HN -0.039 nan 8.250 nan 0.000 0.504 552 N N 1.465 119.792 118.700 -0.622 0.000 2.588 552 N HA -0.004 4.739 4.740 0.004 0.000 0.298 552 N C 0.356 175.537 175.510 -0.549 0.000 1.718 552 N CA 0.118 52.706 53.050 -0.771 0.000 0.888 552 N CB 1.444 38.966 38.487 -1.609 0.000 1.389 552 N HN 0.295 nan 8.380 nan 0.000 0.491 553 S N 0.284 115.762 115.700 -0.369 0.000 2.400 553 S HA -0.271 4.202 4.470 0.004 0.000 0.232 553 S C 1.804 176.253 174.600 -0.252 0.000 1.025 553 S CA 1.072 59.109 58.200 -0.271 0.000 0.993 553 S CB -0.219 62.859 63.200 -0.203 0.000 0.808 553 S HN 0.520 nan 8.310 nan 0.000 0.478 554 Q N 1.247 120.896 119.800 -0.251 0.000 2.291 554 Q HA 0.015 4.358 4.340 0.004 0.000 0.206 554 Q C 1.902 177.764 176.000 -0.229 0.000 0.976 554 Q CA 1.212 56.889 55.803 -0.210 0.000 0.875 554 Q CB -0.379 28.249 28.738 -0.183 0.000 0.927 554 Q HN 0.542 nan 8.270 nan 0.000 0.450 555 K N 0.919 121.147 120.400 -0.286 0.000 2.168 555 K HA 0.015 4.338 4.320 0.004 0.000 0.201 555 K C 0.424 176.858 176.600 -0.278 0.000 1.049 555 K CA 0.337 56.469 56.287 -0.259 0.000 0.974 555 K CB 0.291 32.630 32.500 -0.268 0.000 0.792 555 K HN 0.242 nan 8.250 nan 0.000 0.463 556 E N 1.958 121.987 120.200 -0.284 0.000 2.351 556 E HA -0.060 4.292 4.350 0.004 0.000 0.266 556 E C -0.833 175.549 176.600 -0.364 0.000 1.031 556 E CA -0.145 56.096 56.400 -0.264 0.000 0.911 556 E CB 0.572 30.162 29.700 -0.183 0.000 0.986 556 E HN -0.105 nan 8.360 nan 0.000 0.446 557 Q N 2.980 122.423 119.800 -0.594 0.000 2.303 557 Q HA 0.469 4.812 4.340 0.004 0.000 0.257 557 Q C 0.113 175.853 176.000 -0.434 0.000 0.941 557 Q CA 0.897 56.211 55.803 -0.816 0.000 0.931 557 Q CB 1.559 29.052 28.738 -2.075 0.000 1.215 557 Q HN 0.858 nan 8.270 nan 0.000 0.437 558 G N 2.018 110.703 108.800 -0.192 0.000 2.512 558 G HA2 -0.100 3.862 3.960 0.004 0.000 0.240 558 G HA3 -0.100 3.862 3.960 0.004 0.000 0.240 558 G C -0.943 173.947 174.900 -0.017 0.000 1.246 558 G CA -0.315 44.767 45.100 -0.030 0.000 0.919 558 G HN 1.482 nan 8.290 nan 0.000 0.577 559 S N -1.406 114.333 115.700 0.064 0.000 2.584 559 S HA 0.803 5.275 4.470 0.004 0.000 0.280 559 S C -0.383 174.319 174.600 0.170 0.000 1.162 559 S CA 0.723 58.963 58.200 0.066 0.000 0.951 559 S CB 1.340 64.544 63.200 0.006 0.000 1.108 559 S HN 2.463 nan 8.310 nan 0.000 0.464 560 A N 3.258 126.184 122.820 0.177 0.000 2.354 560 A HA 0.659 4.982 4.320 0.004 0.000 0.281 560 A C 0.008 177.724 177.584 0.219 0.000 1.174 560 A CA -0.382 51.836 52.037 0.301 0.000 0.828 560 A CB 0.043 19.174 19.000 0.218 0.000 1.099 560 A HN 0.766 nan 8.150 nan 0.000 0.516 561 K N 1.510 122.082 120.400 0.286 0.000 2.118 561 K HA 0.493 4.815 4.320 0.004 0.000 0.254 561 K C -0.331 176.429 176.600 0.266 0.000 0.961 561 K CA -0.435 55.971 56.287 0.197 0.000 0.876 561 K CB 1.404 33.987 32.500 0.138 0.000 1.077 561 K HN 0.716 nan 8.250 nan 0.000 0.440 562 c N 0.462 119.171 118.600 0.181 0.000 2.633 562 c HA 0.283 4.855 4.570 0.004 0.000 0.345 562 c C 1.020 175.205 174.090 0.160 0.000 1.384 562 c CA -0.401 56.044 56.329 0.193 0.000 2.418 562 c CB 0.838 43.421 42.510 0.121 0.000 2.425 562 c HN 0.771 nan 8.230 nan 0.000 0.705 563 S N -0.637 115.149 115.700 0.143 0.000 2.651 563 S HA 0.540 5.012 4.470 0.004 0.000 0.291 563 S C 0.934 175.577 174.600 0.072 0.000 1.141 563 S CA 0.574 58.830 58.200 0.093 0.000 1.027 563 S CB 0.870 64.116 63.200 0.077 0.000 1.043 563 S HN 1.805 nan 8.310 nan 0.000 0.530 564 G N 1.092 109.923 108.800 0.053 0.000 2.189 564 G HA2 -0.227 3.735 3.960 0.004 0.000 0.267 564 G HA3 -0.227 3.735 3.960 0.004 0.000 0.267 564 G C 0.046 174.971 174.900 0.042 0.000 0.975 564 G CA 0.734 45.860 45.100 0.043 0.000 0.644 564 G HN 1.972 nan 8.290 nan 0.000 0.537 565 S N -2.279 113.450 115.700 0.049 0.000 2.584 565 S HA 0.552 5.024 4.470 0.004 0.000 0.282 565 S C 0.812 175.442 174.600 0.050 0.000 1.138 565 S CA 0.400 58.626 58.200 0.043 0.000 0.987 565 S CB 1.160 64.385 63.200 0.040 0.000 1.137 565 S HN 1.629 nan 8.310 nan 0.000 0.457 566 G N 1.766 110.591 108.800 0.043 0.000 2.615 566 G HA2 -0.088 3.875 3.960 0.004 0.000 0.213 566 G HA3 -0.088 3.875 3.960 0.004 0.000 0.213 566 G C 0.453 175.381 174.900 0.046 0.000 1.135 566 G CA 0.282 45.409 45.100 0.046 0.000 0.772 566 G HN 0.829 nan 8.290 nan 0.000 0.542 567 K N 1.325 121.750 120.400 0.042 0.000 2.447 567 K HA 0.145 4.468 4.320 0.004 0.000 0.281 567 K C -2.249 174.377 176.600 0.044 0.000 1.031 567 K CA -1.419 54.889 56.287 0.034 0.000 1.019 567 K CB 0.610 33.126 32.500 0.027 0.000 0.918 567 K HN -0.017 nan 8.250 nan 0.000 0.476 568 P HA -0.085 nan 4.420 nan 0.000 0.269 568 P C -0.748 176.560 177.300 0.015 0.000 1.217 568 P CA -0.281 62.837 63.100 0.031 0.000 0.783 568 P CB 0.508 32.212 31.700 0.007 0.000 0.898 569 V N 3.601 123.514 119.914 -0.002 0.000 1.956 569 V HA 0.100 4.222 4.120 0.004 0.000 0.248 569 V C 0.896 176.950 176.094 -0.067 0.000 1.615 569 V CA 0.926 63.196 62.300 -0.049 0.000 1.558 569 V CB -1.715 30.013 31.823 -0.159 0.000 1.529 569 V HN 0.483 nan 8.190 nan 0.000 0.505 570 R N 1.753 122.227 120.500 -0.043 0.000 2.734 570 R HA 0.260 4.603 4.340 0.004 0.000 0.242 570 R C -0.443 175.837 176.300 -0.033 0.000 1.617 570 R CA -0.040 56.029 56.100 -0.051 0.000 1.572 570 R CB 1.374 31.637 30.300 -0.060 0.000 1.477 570 R HN 0.578 nan 8.270 nan 0.000 0.707 571 S N 0.801 116.487 115.700 -0.024 0.000 2.774 571 S HA 0.405 4.878 4.470 0.004 0.000 0.297 571 S C 0.293 174.888 174.600 -0.009 0.000 1.143 571 S CA -0.951 57.241 58.200 -0.012 0.000 1.090 571 S CB 1.023 64.223 63.200 -0.000 0.000 1.019 571 S HN 0.128 nan 8.310 nan 0.000 0.482 572 I N 3.007 123.570 120.570 -0.011 0.000 2.932 572 I HA 0.157 4.330 4.170 0.004 0.000 0.295 572 I C 0.189 176.308 176.117 0.003 0.000 1.227 572 I CA 0.195 61.491 61.300 -0.006 0.000 1.429 572 I CB 0.071 38.066 38.000 -0.007 0.000 1.339 572 I HN 0.730 nan 8.210 nan 0.000 0.589 573 I N 4.593 125.169 120.570 0.009 0.000 2.752 573 I HA 0.313 4.485 4.170 0.004 0.000 0.295 573 I C -0.762 175.365 176.117 0.017 0.000 1.219 573 I CA -0.285 61.023 61.300 0.014 0.000 1.030 573 I CB 1.567 39.579 38.000 0.019 0.000 1.259 573 I HN 0.718 nan 8.210 nan 0.000 0.423 574 c N 5.881 124.491 118.600 0.016 0.000 1.678 574 c HA -0.120 4.452 4.570 0.004 0.000 0.199 574 c C -1.741 172.358 174.090 0.015 0.000 0.913 574 c CA -0.741 55.597 56.329 0.016 0.000 3.269 574 c CB -2.245 40.277 42.510 0.019 0.000 1.861 574 c HN 0.652 nan 8.230 nan 0.000 0.218 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.107 63.100 0.011 0.000 0.800 575 P CB 0.000 31.705 31.700 0.008 0.000 0.726