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 3n0f_1_B DATA FIRST_RESID 57 DATA SEQUENCE SADYEPNSWD YDFLLSXXXX XSIEVYKDKA KKLEAEVRRE INNEKAEFLT DATA SEQUENCE LLELIDNVQR LGLGYRFESD IRRALDRFVS SGGFDGVTKT SLHATALSFR DATA SEQUENCE LLRQHGFEVS QEAFSGFKDQ NGNFLENLKE DTKAILSLYE ASFLALEGEN DATA SEQUENCE ILDEARVFAI SHLKELSEEK IGKELAEQVN HALELPLHRR TQRLEAVWSI DATA SEQUENCE EAYRKKEDAN QVLLELAILD YNMIQSVYQR DLRETSRWWR RVGLATKLHF DATA SEQUENCE ARDRLIESFY WAVGVAFEPQ YSDCRNSVAK MFSFVTIIDD IYDVYGTLDE DATA SEQUENCE LELFTDAVER WDVNAINDLP DYMKLCFLAL YNTINEIAYD NLKDKGENIL DATA SEQUENCE PYLTKAWADL CNAFLQEAKW LYNKSTPTFD DYFGNAWKSS SGPLQLIFAY DATA SEQUENCE FAVVQNIKKE EIENLQKYHD IISRPSHIFR LCNDLASASA EIARGETANS DATA SEQUENCE VSCYMRTKGI SEELATESVM NLIDETWKKM NKEKLGGSLF AKPFVETAIN DATA SEQUENCE LARQSHCTYH NGXXXTSPDE LTRKRVLSVI TEPILPFER 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 57 S HA 0.000 nan 4.470 nan 0.000 0.327 57 S C 0.000 174.545 174.600 -0.091 0.000 1.055 57 S CA 0.000 58.175 58.200 -0.041 0.000 1.107 57 S CB 0.000 63.179 63.200 -0.034 0.000 0.593 58 A N 2.693 125.431 122.820 -0.138 0.000 2.340 58 A HA 0.619 4.940 4.320 0.002 0.000 0.268 58 A C -0.296 177.034 177.584 -0.422 0.000 1.100 58 A CA -0.244 51.589 52.037 -0.340 0.000 0.803 58 A CB 0.520 19.203 19.000 -0.528 0.000 1.043 58 A HN 0.733 nan 8.150 nan 0.000 0.488 59 D N 1.070 121.195 120.400 -0.458 0.000 2.485 59 D HA 0.358 4.999 4.640 0.002 0.000 0.229 59 D C -0.681 175.406 176.300 -0.356 0.000 1.101 59 D CA -0.086 53.727 54.000 -0.312 0.000 0.906 59 D CB -0.054 40.639 40.800 -0.179 0.000 1.019 59 D HN 0.394 nan 8.370 nan 0.000 0.516 60 Y N 0.970 121.244 120.300 -0.043 0.000 2.461 60 Y HA 0.240 4.792 4.550 0.002 0.000 0.277 60 Y C 0.541 176.398 175.900 -0.071 0.000 1.182 60 Y CA -0.310 57.761 58.100 -0.049 0.000 1.276 60 Y CB 0.089 38.528 38.460 -0.036 0.000 1.087 60 Y HN 0.246 nan 8.280 nan 0.000 0.519 61 E N 2.618 122.819 120.200 0.002 0.000 2.259 61 E HA 0.160 4.511 4.350 0.002 0.000 0.281 61 E C -2.211 174.314 176.600 -0.124 0.000 1.037 61 E CA -2.407 53.960 56.400 -0.056 0.000 0.854 61 E CB 0.339 29.992 29.700 -0.078 0.000 1.051 61 E HN 0.055 nan 8.360 nan 0.000 0.409 62 P HA 0.100 nan 4.420 nan 0.000 0.272 62 P C -0.867 176.218 177.300 -0.359 0.000 1.230 62 P CA -0.346 62.614 63.100 -0.232 0.000 0.788 62 P CB 0.773 32.359 31.700 -0.190 0.000 0.949 63 N N -0.590 117.778 118.700 -0.552 0.000 2.466 63 N HA 0.165 4.906 4.740 0.002 0.000 0.294 63 N C 1.239 176.324 175.510 -0.708 0.000 1.129 63 N CA -0.556 52.010 53.050 -0.808 0.000 0.931 63 N CB 0.601 38.105 38.487 -1.638 0.000 1.193 63 N HN 0.306 nan 8.380 nan 0.000 0.500 64 S N -0.143 115.208 115.700 -0.582 0.000 2.469 64 S HA -0.104 4.367 4.470 0.002 0.000 0.238 64 S C 0.735 175.334 174.600 -0.001 0.000 0.998 64 S CA 0.522 58.530 58.200 -0.319 0.000 0.957 64 S CB -0.373 62.718 63.200 -0.180 0.000 0.764 64 S HN 0.828 nan 8.310 nan 0.000 0.514 65 W N 1.008 122.308 121.300 -0.000 0.000 3.220 65 W HA 0.423 5.085 4.660 0.002 0.000 0.328 65 W C -1.220 175.231 176.519 -0.112 0.000 1.205 65 W CA -1.069 56.274 57.345 -0.003 0.000 1.773 65 W CB -0.665 28.810 29.460 0.025 0.000 1.086 65 W HN 0.020 nan 8.180 nan 0.000 0.622 66 D N 1.595 121.879 120.400 -0.194 0.000 2.472 66 D HA -0.110 4.531 4.640 0.002 0.000 0.237 66 D C 0.808 177.106 176.300 -0.003 0.000 1.141 66 D CA 0.460 54.360 54.000 -0.167 0.000 0.875 66 D CB 0.797 41.483 40.800 -0.191 0.000 1.192 66 D HN -0.061 nan 8.370 nan 0.000 0.450 67 Y N 0.799 121.172 120.300 0.122 0.000 2.333 67 Y HA -0.156 4.395 4.550 0.002 0.000 0.290 67 Y C 1.965 177.911 175.900 0.077 0.000 1.144 67 Y CA 0.811 58.971 58.100 0.099 0.000 1.228 67 Y CB -0.135 38.379 38.460 0.091 0.000 0.985 67 Y HN 0.367 nan 8.280 nan 0.000 0.542 68 D N -0.925 119.603 120.400 0.213 0.000 2.144 68 D HA -0.188 4.453 4.640 0.002 0.000 0.199 68 D C 1.966 178.367 176.300 0.168 0.000 0.984 68 D CA 1.175 55.269 54.000 0.156 0.000 0.834 68 D CB -0.415 40.453 40.800 0.114 0.000 0.955 68 D HN 0.331 nan 8.370 nan 0.000 0.465 69 F N 0.785 120.746 119.950 0.018 0.000 2.188 69 F HA 0.092 4.620 4.527 0.002 0.000 0.289 69 F C 2.121 177.939 175.800 0.030 0.000 1.082 69 F CA 0.600 58.600 58.000 0.001 0.000 1.282 69 F CB -0.520 38.451 39.000 -0.049 0.000 1.060 69 F HN -0.183 nan 8.300 nan 0.000 0.493 70 L N 0.079 121.227 121.223 -0.125 0.000 2.012 70 L HA -0.163 4.178 4.340 0.002 0.000 0.210 70 L C 0.628 177.427 176.870 -0.119 0.000 1.073 70 L CA 0.777 55.494 54.840 -0.204 0.000 0.748 70 L CB -0.649 41.433 42.059 0.038 0.000 0.891 70 L HN 0.072 nan 8.230 nan 0.000 0.431 71 L N 0.027 121.270 121.223 0.033 0.000 2.466 71 L HA 0.240 4.581 4.340 0.002 0.000 0.248 71 L C 0.087 176.966 176.870 0.016 0.000 1.240 71 L CA 0.620 55.484 54.840 0.041 0.000 1.180 71 L CB 0.033 42.163 42.059 0.118 0.000 1.413 71 L HN -0.002 nan 8.230 nan 0.000 0.406 79 I N 1.589 122.235 120.570 0.126 0.000 3.493 79 I HA 0.329 4.500 4.170 0.002 0.000 0.311 79 I C 1.375 177.594 176.117 0.170 0.000 1.210 79 I CA 1.250 62.684 61.300 0.222 0.000 1.210 79 I CB -0.375 37.708 38.000 0.139 0.000 0.993 79 I HN 0.503 nan 8.210 nan 0.000 0.539 80 E N 1.506 121.763 120.200 0.096 0.000 2.216 80 E HA -0.093 4.258 4.350 0.002 0.000 0.192 80 E C 2.160 178.786 176.600 0.044 0.000 0.973 80 E CA 1.017 57.456 56.400 0.065 0.000 0.851 80 E CB 0.259 29.982 29.700 0.039 0.000 0.804 80 E HN 0.575 nan 8.360 nan 0.000 0.477 81 V N -0.581 119.332 119.914 -0.001 0.000 2.626 81 V HA -0.189 3.932 4.120 0.002 0.000 0.252 81 V C 1.920 177.966 176.094 -0.079 0.000 1.067 81 V CA 1.216 63.475 62.300 -0.068 0.000 1.081 81 V CB -1.089 30.646 31.823 -0.147 0.000 0.686 81 V HN 0.194 nan 8.190 nan 0.000 0.468 82 Y N 1.451 121.739 120.300 -0.021 0.000 2.163 82 Y HA -0.084 4.467 4.550 0.002 0.000 0.288 82 Y C 2.757 178.606 175.900 -0.085 0.000 1.136 82 Y CA 2.074 60.147 58.100 -0.045 0.000 1.147 82 Y CB -0.452 37.988 38.460 -0.032 0.000 0.987 82 Y HN 0.209 nan 8.280 nan 0.000 0.509 83 K N 0.248 120.722 120.400 0.123 0.000 2.113 83 K HA -0.219 4.102 4.320 0.002 0.000 0.208 83 K C 1.319 177.929 176.600 0.017 0.000 1.047 83 K CA 2.072 58.393 56.287 0.056 0.000 0.928 83 K CB -0.184 32.368 32.500 0.088 0.000 0.716 83 K HN 0.317 nan 8.250 nan 0.000 0.446 84 D N 0.245 120.655 120.400 0.017 0.000 2.137 84 D HA -0.116 4.525 4.640 0.002 0.000 0.202 84 D C 1.852 178.144 176.300 -0.013 0.000 0.970 84 D CA 0.894 54.900 54.000 0.009 0.000 0.837 84 D CB 0.048 40.852 40.800 0.006 0.000 0.981 84 D HN 0.094 nan 8.370 nan 0.000 0.475 85 K N 1.639 122.021 120.400 -0.030 0.000 2.097 85 K HA -0.001 4.320 4.320 0.002 0.000 0.205 85 K C 1.811 178.368 176.600 -0.071 0.000 1.050 85 K CA 1.126 57.392 56.287 -0.035 0.000 0.938 85 K CB -0.427 32.053 32.500 -0.033 0.000 0.718 85 K HN -0.007 nan 8.250 nan 0.000 0.442 86 A N 0.834 123.557 122.820 -0.161 0.000 1.877 86 A HA -0.166 4.155 4.320 0.002 0.000 0.216 86 A C 1.974 179.413 177.584 -0.241 0.000 1.186 86 A CA 1.870 53.660 52.037 -0.413 0.000 0.620 86 A CB -0.450 17.946 19.000 -1.007 0.000 0.822 86 A HN 0.350 nan 8.150 nan 0.000 0.443 87 K N -0.324 120.031 120.400 -0.075 0.000 2.097 87 K HA -0.135 4.187 4.320 0.002 0.000 0.206 87 K C 2.219 178.881 176.600 0.103 0.000 1.049 87 K CA 1.540 57.901 56.287 0.124 0.000 0.933 87 K CB -0.122 32.458 32.500 0.132 0.000 0.717 87 K HN 0.460 nan 8.250 nan 0.000 0.442 88 K N 1.195 121.625 120.400 0.050 0.000 2.026 88 K HA -0.114 4.207 4.320 0.002 0.000 0.208 88 K C 2.061 178.695 176.600 0.057 0.000 1.048 88 K CA 1.147 57.463 56.287 0.048 0.000 0.929 88 K CB -0.059 32.456 32.500 0.025 0.000 0.713 88 K HN 0.065 nan 8.250 nan 0.000 0.439 89 L N 0.729 121.976 121.223 0.040 0.000 2.046 89 L HA -0.186 4.155 4.340 0.002 0.000 0.208 89 L C 2.642 179.585 176.870 0.121 0.000 1.077 89 L CA 1.454 56.321 54.840 0.045 0.000 0.747 89 L CB -0.469 41.593 42.059 0.005 0.000 0.896 89 L HN 0.380 nan 8.230 nan 0.000 0.432 90 E N 0.320 120.641 120.200 0.201 0.000 2.077 90 E HA -0.252 4.099 4.350 0.002 0.000 0.193 90 E C 2.221 179.017 176.600 0.327 0.000 0.989 90 E CA 1.217 57.839 56.400 0.369 0.000 0.800 90 E CB 0.022 29.972 29.700 0.416 0.000 0.746 90 E HN 0.469 nan 8.360 nan 0.000 0.452 91 A N 1.060 124.005 122.820 0.208 0.000 1.902 91 A HA -0.243 4.078 4.320 0.002 0.000 0.217 91 A C 2.024 179.673 177.584 0.108 0.000 1.181 91 A CA 1.728 53.861 52.037 0.159 0.000 0.623 91 A CB -0.582 18.486 19.000 0.113 0.000 0.818 91 A HN 0.398 nan 8.150 nan 0.000 0.443 92 E N -0.367 119.878 120.200 0.076 0.000 2.110 92 E HA -0.133 4.218 4.350 0.002 0.000 0.193 92 E C 1.766 178.358 176.600 -0.014 0.000 0.988 92 E CA 1.374 57.791 56.400 0.029 0.000 0.804 92 E CB -0.085 29.626 29.700 0.019 0.000 0.745 92 E HN 0.347 nan 8.360 nan 0.000 0.458 93 V N 0.988 120.883 119.914 -0.031 0.000 2.548 93 V HA -0.166 3.955 4.120 0.002 0.000 0.249 93 V C 2.492 178.412 176.094 -0.289 0.000 1.055 93 V CA 1.543 63.714 62.300 -0.215 0.000 1.065 93 V CB -0.528 31.067 31.823 -0.380 0.000 0.681 93 V HN 0.261 nan 8.190 nan 0.000 0.462 94 R N 0.529 120.988 120.500 -0.069 0.000 2.066 94 R HA -0.163 4.178 4.340 0.002 0.000 0.232 94 R C 2.513 178.808 176.300 -0.008 0.000 1.131 94 R CA 1.829 57.948 56.100 0.031 0.000 0.955 94 R CB -0.302 30.130 30.300 0.221 0.000 0.851 94 R HN 0.429 nan 8.270 nan 0.000 0.432 95 R N 0.396 120.899 120.500 0.005 0.000 2.091 95 R HA -0.129 4.212 4.340 0.002 0.000 0.238 95 R C 1.657 177.938 176.300 -0.031 0.000 1.136 95 R CA 1.670 57.770 56.100 -0.001 0.000 0.959 95 R CB -0.020 30.285 30.300 0.007 0.000 0.856 95 R HN 0.191 nan 8.270 nan 0.000 0.437 96 E N 0.395 120.557 120.200 -0.063 0.000 2.208 96 E HA -0.118 4.233 4.350 0.002 0.000 0.193 96 E C 1.972 178.519 176.600 -0.089 0.000 0.988 96 E CA 0.850 57.205 56.400 -0.075 0.000 0.828 96 E CB -0.009 29.639 29.700 -0.087 0.000 0.763 96 E HN 0.502 nan 8.360 nan 0.000 0.478 97 I N 1.243 121.742 120.570 -0.119 0.000 2.617 97 I HA -0.139 4.032 4.170 0.002 0.000 0.256 97 I C 1.715 177.801 176.117 -0.051 0.000 1.167 97 I CA 0.516 61.750 61.300 -0.110 0.000 1.469 97 I CB -0.055 37.845 38.000 -0.167 0.000 1.098 97 I HN 0.001 nan 8.210 nan 0.000 0.436 98 N N 0.837 119.519 118.700 -0.030 0.000 2.424 98 N HA -0.060 4.682 4.740 0.002 0.000 0.178 98 N C 0.584 176.090 175.510 -0.006 0.000 1.060 98 N CA 0.072 53.121 53.050 -0.001 0.000 0.901 98 N CB -0.183 38.314 38.487 0.016 0.000 0.979 98 N HN 0.396 nan 8.380 nan 0.000 0.451 99 N N 1.994 120.679 118.700 -0.024 0.000 2.347 99 N HA -0.101 4.640 4.740 0.002 0.000 0.278 99 N C 0.327 175.812 175.510 -0.043 0.000 1.367 99 N CA -0.093 52.937 53.050 -0.032 0.000 0.898 99 N CB 0.562 39.023 38.487 -0.044 0.000 1.203 99 N HN 0.064 nan 8.380 nan 0.000 0.491 100 E N 2.956 123.137 120.200 -0.032 0.000 2.047 100 E HA -0.201 4.150 4.350 0.002 0.000 0.191 100 E C 0.370 176.906 176.600 -0.106 0.000 0.987 100 E CA 1.332 57.706 56.400 -0.042 0.000 0.799 100 E CB 0.087 29.781 29.700 -0.011 0.000 0.752 100 E HN 0.682 nan 8.360 nan 0.000 0.449 101 K N 0.861 121.209 120.400 -0.087 0.000 3.233 101 K HA 0.439 4.760 4.320 0.002 0.000 0.283 101 K C -0.486 176.036 176.600 -0.130 0.000 1.209 101 K CA -0.005 56.218 56.287 -0.107 0.000 1.197 101 K CB 0.175 32.637 32.500 -0.064 0.000 1.431 101 K HN -0.026 nan 8.250 nan 0.000 0.326 102 A N 1.443 124.147 122.820 -0.193 0.000 2.371 102 A HA 0.277 4.598 4.320 0.002 0.000 0.311 102 A C -0.533 176.891 177.584 -0.267 0.000 1.068 102 A CA -0.939 50.993 52.037 -0.175 0.000 0.744 102 A CB 0.776 19.702 19.000 -0.122 0.000 1.239 102 A HN 0.329 nan 8.150 nan 0.000 0.435 103 E N 2.325 122.427 120.200 -0.164 0.000 2.585 103 E HA -0.016 4.335 4.350 0.002 0.000 0.252 103 E C 0.103 176.659 176.600 -0.074 0.000 0.981 103 E CA 0.282 56.608 56.400 -0.123 0.000 0.943 103 E CB -0.046 29.640 29.700 -0.024 0.000 0.923 103 E HN 0.573 nan 8.360 nan 0.000 0.486 104 F N 1.732 121.707 119.950 0.042 0.000 2.091 104 F HA -0.261 4.266 4.527 0.002 0.000 0.299 104 F C 2.161 177.898 175.800 -0.105 0.000 1.103 104 F CA 1.131 59.129 58.000 -0.005 0.000 1.228 104 F CB -0.734 38.386 39.000 0.200 0.000 0.984 104 F HN 0.427 nan 8.300 nan 0.000 0.477 105 L N -0.048 121.276 121.223 0.168 0.000 2.012 105 L HA -0.211 4.130 4.340 0.002 0.000 0.210 105 L C 2.286 179.173 176.870 0.028 0.000 1.073 105 L CA 2.358 57.235 54.840 0.061 0.000 0.748 105 L CB -1.406 40.712 42.059 0.099 0.000 0.891 105 L HN 0.168 nan 8.230 nan 0.000 0.431 106 T N 0.054 114.632 114.554 0.040 0.000 2.759 106 T HA -0.257 4.094 4.350 0.002 0.000 0.269 106 T C 1.919 176.615 174.700 -0.006 0.000 1.042 106 T CA 1.980 64.093 62.100 0.021 0.000 1.140 106 T CB -0.513 68.360 68.868 0.008 0.000 0.864 106 T HN 0.429 nan 8.240 nan 0.000 0.455 107 L N 0.255 121.466 121.223 -0.020 0.000 2.109 107 L HA 0.067 4.408 4.340 0.002 0.000 0.207 107 L C 2.201 179.027 176.870 -0.075 0.000 1.086 107 L CA 1.120 55.934 54.840 -0.043 0.000 0.760 107 L CB -0.242 41.804 42.059 -0.022 0.000 0.910 107 L HN 0.243 nan 8.230 nan 0.000 0.437 108 L N -0.519 120.638 121.223 -0.110 0.000 2.141 108 L HA -0.190 4.151 4.340 0.002 0.000 0.209 108 L C 2.408 179.231 176.870 -0.079 0.000 1.094 108 L CA 1.246 55.992 54.840 -0.157 0.000 0.763 108 L CB -0.508 41.404 42.059 -0.246 0.000 0.908 108 L HN 0.321 nan 8.230 nan 0.000 0.437 109 E N -0.053 120.127 120.200 -0.034 0.000 2.152 109 E HA -0.213 4.138 4.350 0.002 0.000 0.192 109 E C 2.055 178.654 176.600 -0.002 0.000 0.983 109 E CA 0.757 57.167 56.400 0.017 0.000 0.818 109 E CB -0.048 29.695 29.700 0.071 0.000 0.758 109 E HN 0.259 nan 8.360 nan 0.000 0.467 110 L N 1.339 122.547 121.223 -0.026 0.000 1.994 110 L HA -0.163 4.178 4.340 0.002 0.000 0.208 110 L C 2.044 178.867 176.870 -0.078 0.000 1.071 110 L CA 1.616 56.424 54.840 -0.052 0.000 0.745 110 L CB -0.412 41.607 42.059 -0.067 0.000 0.892 110 L HN 0.079 nan 8.230 nan 0.000 0.431 111 I N -0.031 120.492 120.570 -0.079 0.000 2.151 111 I HA -0.341 3.830 4.170 0.002 0.000 0.243 111 I C 2.325 178.423 176.117 -0.032 0.000 1.080 111 I CA 1.819 63.076 61.300 -0.071 0.000 1.339 111 I CB -0.667 37.290 38.000 -0.073 0.000 1.039 111 I HN 0.415 nan 8.210 nan 0.000 0.409 112 D N 1.221 121.610 120.400 -0.018 0.000 2.116 112 D HA -0.230 4.411 4.640 0.002 0.000 0.193 112 D C 1.915 178.209 176.300 -0.010 0.000 0.998 112 D CA 1.694 55.701 54.000 0.011 0.000 0.836 112 D CB -0.159 40.659 40.800 0.030 0.000 0.951 112 D HN 0.202 nan 8.370 nan 0.000 0.449 113 N N -0.295 118.373 118.700 -0.053 0.000 2.120 113 N HA -0.117 4.624 4.740 0.002 0.000 0.188 113 N C 2.061 177.481 175.510 -0.150 0.000 1.024 113 N CA 0.872 53.834 53.050 -0.145 0.000 0.852 113 N CB -0.395 37.944 38.487 -0.245 0.000 1.003 113 N HN 0.164 nan 8.380 nan 0.000 0.424 114 V N 1.980 121.827 119.914 -0.110 0.000 2.287 114 V HA -0.258 3.863 4.120 0.002 0.000 0.248 114 V C 2.395 178.492 176.094 0.005 0.000 1.053 114 V CA 1.655 63.913 62.300 -0.070 0.000 1.027 114 V CB -0.538 31.230 31.823 -0.092 0.000 0.646 114 V HN 0.363 nan 8.190 nan 0.000 0.447 115 Q N -0.576 119.239 119.800 0.025 0.000 2.016 115 Q HA -0.152 4.189 4.340 0.002 0.000 0.200 115 Q C 2.549 178.572 176.000 0.039 0.000 0.978 115 Q CA 1.285 57.126 55.803 0.063 0.000 0.833 115 Q CB -0.259 28.532 28.738 0.089 0.000 0.895 115 Q HN 0.553 nan 8.270 nan 0.000 0.427 116 R N 0.598 121.110 120.500 0.020 0.000 2.096 116 R HA -0.091 4.250 4.340 0.002 0.000 0.235 116 R C 2.195 178.509 176.300 0.023 0.000 1.127 116 R CA 0.928 57.046 56.100 0.030 0.000 0.968 116 R CB -0.426 29.902 30.300 0.047 0.000 0.861 116 R HN 0.300 nan 8.270 nan 0.000 0.440 117 L N -0.069 121.143 121.223 -0.019 0.000 2.549 117 L HA 0.000 4.341 4.340 0.002 0.000 0.229 117 L C 1.189 178.096 176.870 0.062 0.000 1.158 117 L CA 0.822 55.652 54.840 -0.017 0.000 0.842 117 L CB -0.273 41.731 42.059 -0.092 0.000 0.952 117 L HN 0.475 nan 8.230 nan 0.000 0.452 118 G N -0.205 108.636 108.800 0.069 0.000 2.132 118 G HA2 -0.270 3.691 3.960 0.002 0.000 0.234 118 G HA3 -0.270 3.691 3.960 0.002 0.000 0.234 118 G C 0.510 175.541 174.900 0.219 0.000 0.989 118 G CA 0.071 45.234 45.100 0.104 0.000 0.676 118 G HN 0.325 nan 8.290 nan 0.000 0.522 119 L N 0.367 121.690 121.223 0.166 0.000 2.640 119 L HA 0.308 4.649 4.340 0.002 0.000 0.230 119 L C 2.677 179.564 176.870 0.029 0.000 1.123 119 L CA 0.645 55.550 54.840 0.109 0.000 0.900 119 L CB 0.004 42.178 42.059 0.191 0.000 1.146 119 L HN 0.275 nan 8.230 nan 0.000 0.484 120 G N 1.073 109.953 108.800 0.133 0.000 2.513 120 G HA2 -0.381 3.580 3.960 0.002 0.000 0.219 120 G HA3 -0.381 3.580 3.960 0.002 0.000 0.219 120 G C 1.392 176.308 174.900 0.027 0.000 1.160 120 G CA 1.457 46.638 45.100 0.136 0.000 0.767 120 G HN 0.609 nan 8.290 nan 0.000 0.571 121 Y N 0.344 120.632 120.300 -0.020 0.000 2.384 121 Y HA 0.006 4.557 4.550 0.002 0.000 0.289 121 Y C 2.466 178.000 175.900 -0.610 0.000 1.152 121 Y CA 1.327 59.301 58.100 -0.211 0.000 1.258 121 Y CB -0.315 38.024 38.460 -0.201 0.000 0.979 121 Y HN 0.195 nan 8.280 nan 0.000 0.549 122 R N -0.588 119.024 120.500 -1.479 0.000 2.210 122 R HA 0.116 4.457 4.340 0.002 0.000 0.203 122 R C -0.084 175.556 176.300 -1.100 0.000 1.010 122 R CA 0.529 55.599 56.100 -1.716 0.000 1.008 122 R CB -0.036 29.218 30.300 -1.744 0.000 0.923 122 R HN 0.386 nan 8.270 nan 0.000 0.469 123 F N 0.416 120.175 119.950 -0.318 0.000 2.850 123 F HA 0.312 4.840 4.527 0.002 0.000 0.329 123 F C 1.308 177.061 175.800 -0.078 0.000 1.182 123 F CA -0.644 57.280 58.000 -0.128 0.000 1.270 123 F CB 0.595 39.533 39.000 -0.102 0.000 0.979 123 F HN -0.063 nan 8.300 nan 0.000 0.506 124 E N 0.920 121.140 120.200 0.033 0.000 2.048 124 E HA -0.237 4.114 4.350 0.002 0.000 0.202 124 E C 2.327 178.965 176.600 0.064 0.000 1.021 124 E CA 2.269 58.710 56.400 0.069 0.000 0.825 124 E CB -0.091 29.656 29.700 0.078 0.000 0.756 124 E HN 0.429 nan 8.360 nan 0.000 0.454 125 S N 0.795 116.545 115.700 0.083 0.000 2.382 125 S HA -0.160 4.311 4.470 0.002 0.000 0.228 125 S C 1.606 176.245 174.600 0.066 0.000 1.027 125 S CA 1.396 59.639 58.200 0.072 0.000 0.991 125 S CB -0.272 62.973 63.200 0.075 0.000 0.823 125 S HN 0.175 nan 8.310 nan 0.000 0.469 126 D N 1.800 122.256 120.400 0.093 0.000 2.097 126 D HA -0.023 4.618 4.640 0.002 0.000 0.195 126 D C 2.037 178.351 176.300 0.023 0.000 0.989 126 D CA 1.423 55.472 54.000 0.081 0.000 0.827 126 D CB -0.276 40.609 40.800 0.141 0.000 0.966 126 D HN 0.452 nan 8.370 nan 0.000 0.456 127 I N 1.165 121.727 120.570 -0.013 0.000 2.179 127 I HA -0.263 3.908 4.170 0.002 0.000 0.242 127 I C 2.646 178.686 176.117 -0.128 0.000 1.088 127 I CA 1.078 62.308 61.300 -0.118 0.000 1.357 127 I CB -0.206 37.656 38.000 -0.231 0.000 1.051 127 I HN -0.076 nan 8.210 nan 0.000 0.409 128 R N 0.281 120.732 120.500 -0.081 0.000 2.091 128 R HA -0.211 4.130 4.340 0.002 0.000 0.238 128 R C 2.441 178.841 176.300 0.166 0.000 1.136 128 R CA 1.447 57.612 56.100 0.108 0.000 0.959 128 R CB -0.521 29.850 30.300 0.118 0.000 0.856 128 R HN 0.350 nan 8.270 nan 0.000 0.437 129 R N 0.671 121.227 120.500 0.092 0.000 2.080 129 R HA -0.179 4.162 4.340 0.002 0.000 0.236 129 R C 2.323 178.665 176.300 0.071 0.000 1.137 129 R CA 1.801 57.954 56.100 0.088 0.000 0.943 129 R CB -0.350 29.988 30.300 0.063 0.000 0.846 129 R HN 0.264 nan 8.270 nan 0.000 0.431 130 A N 0.934 123.775 122.820 0.035 0.000 1.865 130 A HA -0.172 4.149 4.320 0.002 0.000 0.217 130 A C 2.230 179.823 177.584 0.015 0.000 1.191 130 A CA 1.452 53.511 52.037 0.037 0.000 0.623 130 A CB -0.716 18.282 19.000 -0.004 0.000 0.826 130 A HN 0.372 nan 8.150 nan 0.000 0.444 131 L N -0.627 120.541 121.223 -0.092 0.000 2.191 131 L HA -0.187 4.154 4.340 0.002 0.000 0.212 131 L C 2.355 178.997 176.870 -0.380 0.000 1.103 131 L CA 1.471 56.145 54.840 -0.278 0.000 0.769 131 L CB -0.484 41.304 42.059 -0.452 0.000 0.908 131 L HN 0.491 nan 8.230 nan 0.000 0.438 132 D N 0.769 121.093 120.400 -0.127 0.000 2.103 132 D HA -0.174 4.467 4.640 0.002 0.000 0.199 132 D C 2.152 178.463 176.300 0.018 0.000 0.978 132 D CA 1.126 55.141 54.000 0.025 0.000 0.829 132 D CB 0.221 41.165 40.800 0.241 0.000 0.981 132 D HN 0.398 nan 8.370 nan 0.000 0.464 133 R N -0.442 120.100 120.500 0.069 0.000 2.307 133 R HA -0.022 4.319 4.340 0.002 0.000 0.199 133 R C 2.120 178.481 176.300 0.102 0.000 1.000 133 R CA 0.429 56.589 56.100 0.100 0.000 1.023 133 R CB -0.828 29.561 30.300 0.148 0.000 0.908 133 R HN 0.169 nan 8.270 nan 0.000 0.473 134 F N 0.456 120.317 119.950 -0.148 0.000 2.512 134 F HA 0.066 4.594 4.527 0.002 0.000 0.296 134 F C 1.427 177.012 175.800 -0.358 0.000 1.110 134 F CA 0.478 58.235 58.000 -0.406 0.000 1.446 134 F CB 0.473 39.225 39.000 -0.413 0.000 1.092 134 F HN -0.155 nan 8.300 nan 0.000 0.554 135 V N -0.169 119.570 119.914 -0.292 0.000 2.500 135 V HA -0.170 3.951 4.120 0.002 0.000 0.243 135 V C 2.473 178.450 176.094 -0.196 0.000 1.039 135 V CA 1.556 63.674 62.300 -0.303 0.000 1.053 135 V CB -0.374 31.321 31.823 -0.214 0.000 0.695 135 V HN 0.490 nan 8.190 nan 0.000 0.463 136 S N 1.128 116.763 115.700 -0.108 0.000 2.447 136 S HA -0.139 4.332 4.470 0.002 0.000 0.233 136 S C 1.865 176.426 174.600 -0.066 0.000 1.006 136 S CA 1.331 59.499 58.200 -0.053 0.000 0.957 136 S CB -0.480 62.720 63.200 0.001 0.000 0.773 136 S HN 0.687 nan 8.310 nan 0.000 0.507 137 S N 0.140 115.773 115.700 -0.111 0.000 2.575 137 S HA 0.450 4.921 4.470 0.002 0.000 0.215 137 S C 1.598 176.097 174.600 -0.167 0.000 0.966 137 S CA 0.345 58.497 58.200 -0.080 0.000 0.911 137 S CB -0.617 62.596 63.200 0.022 0.000 0.780 137 S HN 1.366 nan 8.310 nan 0.000 0.514 138 G N 0.801 109.453 108.800 -0.246 0.000 2.166 138 G HA2 -0.268 3.693 3.960 0.002 0.000 0.260 138 G HA3 -0.268 3.693 3.960 0.002 0.000 0.260 138 G C 0.947 175.625 174.900 -0.369 0.000 0.986 138 G CA 0.270 45.221 45.100 -0.249 0.000 0.683 138 G HN 0.980 nan 8.290 nan 0.000 0.527 139 G N -0.231 108.190 108.800 -0.632 0.000 2.470 139 G HA2 0.042 4.003 3.960 0.002 0.000 0.220 139 G HA3 0.042 4.003 3.960 0.002 0.000 0.220 139 G C 1.363 175.799 174.900 -0.774 0.000 1.121 139 G CA 1.481 46.141 45.100 -0.734 0.000 0.766 139 G HN 0.740 nan 8.290 nan 0.000 0.553 140 F N 1.554 120.792 119.950 -1.187 0.000 2.187 140 F HA 0.062 4.591 4.527 0.002 0.000 0.295 140 F C 2.003 177.644 175.800 -0.266 0.000 1.091 140 F CA 1.315 58.934 58.000 -0.636 0.000 1.308 140 F CB -0.275 38.403 39.000 -0.536 0.000 1.030 140 F HN 0.221 nan 8.300 nan 0.000 0.487 141 D N -0.353 119.797 120.400 -0.417 0.000 2.144 141 D HA -0.097 4.544 4.640 0.002 0.000 0.199 141 D C 2.441 178.553 176.300 -0.313 0.000 0.984 141 D CA 1.566 55.330 54.000 -0.394 0.000 0.834 141 D CB -0.604 40.069 40.800 -0.213 0.000 0.955 141 D HN 0.360 nan 8.370 nan 0.000 0.465 142 G N -0.396 108.263 108.800 -0.234 0.000 2.421 142 G HA2 -0.147 3.814 3.960 0.002 0.000 0.217 142 G HA3 -0.147 3.814 3.960 0.002 0.000 0.217 142 G C 1.762 176.598 174.900 -0.107 0.000 1.143 142 G CA 0.594 45.608 45.100 -0.143 0.000 0.784 142 G HN 0.272 nan 8.290 nan 0.000 0.541 143 V N 1.883 121.731 119.914 -0.111 0.000 2.407 143 V HA -0.160 3.961 4.120 0.002 0.000 0.248 143 V C 3.142 179.225 176.094 -0.019 0.000 1.055 143 V CA 2.208 64.505 62.300 -0.004 0.000 1.049 143 V CB -0.781 31.113 31.823 0.118 0.000 0.662 143 V HN 0.633 nan 8.190 nan 0.000 0.455 144 T N -2.424 112.015 114.554 -0.193 0.000 3.228 144 T HA -0.082 4.269 4.350 0.002 0.000 0.261 144 T C 0.992 175.611 174.700 -0.134 0.000 1.171 144 T CA 0.901 62.920 62.100 -0.135 0.000 1.056 144 T CB -0.344 68.294 68.868 -0.383 0.000 0.938 144 T HN 0.556 nan 8.240 nan 0.000 0.539 145 K N 0.132 120.474 120.400 -0.097 0.000 2.564 145 K HA 0.187 4.508 4.320 0.002 0.000 0.201 145 K C 1.019 177.600 176.600 -0.033 0.000 1.086 145 K CA 0.389 56.589 56.287 -0.145 0.000 1.062 145 K CB 1.177 33.591 32.500 -0.144 0.000 0.849 145 K HN 0.489 nan 8.250 nan 0.000 0.529 146 T N -4.055 110.550 114.554 0.084 0.000 3.123 146 T HA 0.097 4.448 4.350 0.002 0.000 0.266 146 T C 0.181 174.997 174.700 0.194 0.000 0.873 146 T CA -0.332 61.838 62.100 0.116 0.000 0.854 146 T CB 0.760 69.675 68.868 0.079 0.000 1.254 146 T HN -0.059 nan 8.240 nan 0.000 0.570 147 S N 0.634 116.493 115.700 0.265 0.000 2.689 147 S HA 0.505 4.976 4.470 0.002 0.000 0.274 147 S C 0.361 175.072 174.600 0.186 0.000 1.176 147 S CA -0.837 57.500 58.200 0.229 0.000 1.014 147 S CB 1.354 64.659 63.200 0.174 0.000 1.071 147 S HN 0.331 nan 8.310 nan 0.000 0.478 148 L N 4.012 125.233 121.223 -0.004 0.000 2.046 148 L HA -0.047 4.294 4.340 0.002 0.000 0.208 148 L C 2.246 179.080 176.870 -0.061 0.000 1.077 148 L CA 2.325 56.913 54.840 -0.421 0.000 0.747 148 L CB -0.573 41.197 42.059 -0.483 0.000 0.896 148 L HN 1.053 nan 8.230 nan 0.000 0.432 149 H N 0.187 119.234 119.070 -0.038 0.000 2.290 149 H HA -0.170 4.387 4.556 0.002 0.000 0.298 149 H C 2.033 177.409 175.328 0.080 0.000 1.087 149 H CA 2.137 58.199 56.048 0.024 0.000 1.291 149 H CB -0.197 29.586 29.762 0.035 0.000 1.369 149 H HN 0.394 nan 8.280 nan 0.000 0.492 150 A N -0.693 122.090 122.820 -0.062 0.000 1.933 150 A HA -0.157 4.164 4.320 0.002 0.000 0.218 150 A C 2.557 180.185 177.584 0.074 0.000 1.175 150 A CA 2.056 54.045 52.037 -0.080 0.000 0.628 150 A CB -1.035 18.002 19.000 0.061 0.000 0.814 150 A HN 0.586 nan 8.150 nan 0.000 0.444 151 T N 0.172 114.803 114.554 0.129 0.000 2.708 151 T HA -0.001 4.350 4.350 0.002 0.000 0.266 151 T C 2.224 177.101 174.700 0.294 0.000 1.037 151 T CA 1.609 63.819 62.100 0.183 0.000 1.146 151 T CB -0.392 68.551 68.868 0.124 0.000 0.865 151 T HN 0.584 nan 8.240 nan 0.000 0.435 152 A N 1.096 124.101 122.820 0.308 0.000 1.897 152 A HA 0.067 4.388 4.320 0.002 0.000 0.215 152 A C 2.229 179.991 177.584 0.297 0.000 1.181 152 A CA 1.106 53.388 52.037 0.409 0.000 0.620 152 A CB -0.723 18.413 19.000 0.226 0.000 0.821 152 A HN 0.402 nan 8.150 nan 0.000 0.443 153 L N 0.898 122.199 121.223 0.129 0.000 2.017 153 L HA -0.134 4.207 4.340 0.002 0.000 0.208 153 L C 2.726 179.646 176.870 0.084 0.000 1.073 153 L CA 2.971 57.845 54.840 0.057 0.000 0.745 153 L CB -0.802 41.175 42.059 -0.138 0.000 0.894 153 L HN 0.479 nan 8.230 nan 0.000 0.432 154 S N -1.076 114.680 115.700 0.094 0.000 2.368 154 S HA -0.266 4.205 4.470 0.002 0.000 0.225 154 S C 2.128 176.777 174.600 0.082 0.000 1.030 154 S CA 1.258 59.494 58.200 0.060 0.000 0.999 154 S CB -1.494 61.855 63.200 0.249 0.000 0.844 154 S HN 0.504 nan 8.310 nan 0.000 0.459 155 F N 3.025 123.050 119.950 0.124 0.000 2.065 155 F HA -0.122 4.406 4.527 0.002 0.000 0.298 155 F C 2.814 178.649 175.800 0.058 0.000 1.112 155 F CA 2.057 60.117 58.000 0.100 0.000 1.212 155 F CB -0.332 38.831 39.000 0.272 0.000 0.975 155 F HN 0.149 nan 8.300 nan 0.000 0.476 156 R N 0.517 121.275 120.500 0.431 0.000 2.081 156 R HA -0.158 4.183 4.340 0.002 0.000 0.235 156 R C 2.254 178.605 176.300 0.084 0.000 1.131 156 R CA 1.940 58.191 56.100 0.253 0.000 0.960 156 R CB -0.538 29.888 30.300 0.209 0.000 0.856 156 R HN 0.451 nan 8.270 nan 0.000 0.436 157 L N 0.615 121.883 121.223 0.074 0.000 2.046 157 L HA -0.199 4.143 4.340 0.002 0.000 0.208 157 L C 2.491 179.436 176.870 0.124 0.000 1.077 157 L CA 1.184 56.085 54.840 0.102 0.000 0.747 157 L CB -0.453 41.636 42.059 0.049 0.000 0.896 157 L HN 0.273 nan 8.230 nan 0.000 0.432 158 L N -0.538 120.658 121.223 -0.044 0.000 1.994 158 L HA -0.227 4.114 4.340 0.002 0.000 0.208 158 L C 2.849 179.765 176.870 0.075 0.000 1.071 158 L CA 1.365 56.181 54.840 -0.040 0.000 0.745 158 L CB -0.530 41.314 42.059 -0.359 0.000 0.892 158 L HN 0.215 nan 8.230 nan 0.000 0.431 159 R N 0.232 120.649 120.500 -0.139 0.000 2.091 159 R HA -0.260 4.081 4.340 0.002 0.000 0.238 159 R C 2.395 178.665 176.300 -0.050 0.000 1.136 159 R CA 1.953 57.975 56.100 -0.130 0.000 0.959 159 R CB -0.290 29.871 30.300 -0.231 0.000 0.856 159 R HN 0.433 nan 8.270 nan 0.000 0.437 160 Q N -0.520 119.242 119.800 -0.063 0.000 2.135 160 Q HA -0.205 4.136 4.340 0.002 0.000 0.204 160 Q C 0.555 176.396 176.000 -0.265 0.000 0.981 160 Q CA 1.550 57.265 55.803 -0.147 0.000 0.856 160 Q CB -0.037 28.584 28.738 -0.195 0.000 0.902 160 Q HN 0.564 nan 8.270 nan 0.000 0.425 161 H N -1.246 117.889 119.070 0.110 0.000 2.568 161 H HA 0.216 4.773 4.556 0.002 0.000 0.302 161 H C 0.933 176.238 175.328 -0.038 0.000 1.065 161 H CA 0.610 56.725 56.048 0.110 0.000 1.140 161 H CB 0.693 30.605 29.762 0.251 0.000 1.474 161 H HN 0.597 nan 8.280 nan 0.000 0.545 162 G N 0.737 109.527 108.800 -0.016 0.000 2.205 162 G HA2 -0.300 3.661 3.960 0.002 0.000 0.261 162 G HA3 -0.300 3.661 3.960 0.002 0.000 0.261 162 G C 0.196 174.972 174.900 -0.206 0.000 0.980 162 G CA -0.038 44.983 45.100 -0.132 0.000 0.632 162 G HN 0.268 nan 8.290 nan 0.000 0.533 163 F N 1.203 121.123 119.950 -0.051 0.000 2.490 163 F HA 0.446 4.975 4.527 0.002 0.000 0.336 163 F C 1.117 176.835 175.800 -0.136 0.000 1.178 163 F CA 0.361 58.304 58.000 -0.094 0.000 1.301 163 F CB 0.587 39.509 39.000 -0.130 0.000 1.175 163 F HN 0.112 nan 8.300 nan 0.000 0.593 164 E N 2.153 122.390 120.200 0.061 0.000 2.081 164 E HA 0.492 4.843 4.350 0.002 0.000 0.281 164 E C -1.481 175.082 176.600 -0.062 0.000 0.986 164 E CA -0.585 55.804 56.400 -0.017 0.000 0.796 164 E CB 0.873 30.573 29.700 0.000 0.000 1.085 164 E HN 0.472 nan 8.360 nan 0.000 0.398 165 V N 1.102 120.929 119.914 -0.145 0.000 2.823 165 V HA 0.662 4.783 4.120 0.002 0.000 0.312 165 V C -0.310 175.784 176.094 -0.000 0.000 1.072 165 V CA -0.972 61.230 62.300 -0.163 0.000 0.937 165 V CB 1.669 33.155 31.823 -0.562 0.000 1.013 165 V HN 0.508 nan 8.190 nan 0.000 0.430 166 S N 1.290 117.095 115.700 0.174 0.000 2.593 166 S HA 0.349 4.820 4.470 0.002 0.000 0.297 166 S C 0.847 175.702 174.600 0.424 0.000 1.112 166 S CA -0.004 58.343 58.200 0.244 0.000 1.043 166 S CB 1.973 65.266 63.200 0.154 0.000 1.054 166 S HN 1.081 nan 8.310 nan 0.000 0.516 167 Q N 1.347 121.373 119.800 0.377 0.000 2.437 167 Q HA -0.019 4.322 4.340 0.002 0.000 0.210 167 Q C 0.807 176.974 176.000 0.278 0.000 0.972 167 Q CA 1.302 57.335 55.803 0.384 0.000 0.903 167 Q CB -0.188 28.710 28.738 0.267 0.000 0.967 167 Q HN 0.637 nan 8.270 nan 0.000 0.486 168 E N 0.861 121.169 120.200 0.181 0.000 2.472 168 E HA 0.009 4.361 4.350 0.002 0.000 0.200 168 E C 1.437 178.062 176.600 0.043 0.000 1.046 168 E CA 0.820 57.278 56.400 0.097 0.000 0.871 168 E CB -0.140 29.594 29.700 0.058 0.000 0.806 168 E HN 0.550 nan 8.360 nan 0.000 0.533 169 A N -0.864 121.967 122.820 0.019 0.000 2.167 169 A HA -0.035 4.286 4.320 0.002 0.000 0.214 169 A C 1.125 178.569 177.584 -0.235 0.000 1.151 169 A CA 0.571 52.507 52.037 -0.169 0.000 0.735 169 A CB -0.273 18.647 19.000 -0.134 0.000 0.802 169 A HN 0.239 nan 8.150 nan 0.000 0.467 170 F N -0.498 119.586 119.950 0.222 0.000 2.720 170 F HA 0.054 4.582 4.527 0.002 0.000 0.301 170 F C 2.433 178.395 175.800 0.270 0.000 1.103 170 F CA 0.481 58.720 58.000 0.399 0.000 1.291 170 F CB -0.113 39.066 39.000 0.299 0.000 1.086 170 F HN 0.250 nan 8.300 nan 0.000 0.592 171 S N -0.035 115.775 115.700 0.182 0.000 2.419 171 S HA -0.146 4.325 4.470 0.002 0.000 0.235 171 S C 2.196 176.737 174.600 -0.099 0.000 1.019 171 S CA 1.314 59.514 58.200 0.001 0.000 0.982 171 S CB -1.172 62.009 63.200 -0.032 0.000 0.789 171 S HN 0.338 nan 8.310 nan 0.000 0.490 172 G N -0.546 108.127 108.800 -0.211 0.000 2.882 172 G HA2 0.232 4.193 3.960 0.002 0.000 0.206 172 G HA3 0.232 4.193 3.960 0.002 0.000 0.206 172 G C 0.191 174.710 174.900 -0.635 0.000 1.155 172 G CA -0.064 44.766 45.100 -0.451 0.000 0.800 172 G HN 0.578 nan 8.290 nan 0.000 0.524 173 F N 0.223 120.183 119.950 0.016 0.000 2.805 173 F HA 0.409 4.937 4.527 0.001 0.000 0.317 173 F C 0.739 176.507 175.800 -0.054 0.000 1.146 173 F CA -0.523 57.513 58.000 0.061 0.000 1.265 173 F CB 0.602 39.745 39.000 0.238 0.000 0.992 173 F HN -0.120 nan 8.300 nan 0.000 0.511 174 K N 0.239 120.591 120.400 -0.079 0.000 2.350 174 K HA 0.433 4.754 4.320 0.002 0.000 0.241 174 K C -0.825 175.708 176.600 -0.112 0.000 0.994 174 K CA -1.097 55.068 56.287 -0.203 0.000 0.839 174 K CB 1.697 33.979 32.500 -0.363 0.000 1.244 174 K HN -0.059 nan 8.250 nan 0.000 0.443 175 D N -0.039 120.305 120.400 -0.093 0.000 2.506 175 D HA 0.009 4.650 4.640 0.002 0.000 0.272 175 D C 0.513 176.775 176.300 -0.063 0.000 1.214 175 D CA -0.382 53.586 54.000 -0.054 0.000 1.067 175 D CB 0.361 41.148 40.800 -0.022 0.000 1.117 175 D HN 0.308 nan 8.370 nan 0.000 0.578 176 Q N -1.156 118.618 119.800 -0.044 0.000 2.439 176 Q HA 0.004 4.345 4.340 0.002 0.000 0.211 176 Q C 0.226 176.200 176.000 -0.042 0.000 0.978 176 Q CA 1.052 56.829 55.803 -0.042 0.000 0.897 176 Q CB -0.495 28.226 28.738 -0.029 0.000 0.956 176 Q HN 0.426 nan 8.270 nan 0.000 0.483 177 N N -0.518 118.157 118.700 -0.042 0.000 2.251 177 N HA 0.246 4.987 4.740 0.002 0.000 0.217 177 N C 0.059 175.534 175.510 -0.058 0.000 1.124 177 N CA 0.479 53.507 53.050 -0.037 0.000 0.843 177 N CB 0.996 39.472 38.487 -0.019 0.000 1.024 177 N HN 0.231 nan 8.380 nan 0.000 0.501 178 G N 0.488 109.235 108.800 -0.089 0.000 2.295 178 G HA2 -0.315 3.646 3.960 0.002 0.000 0.287 178 G HA3 -0.315 3.646 3.960 0.002 0.000 0.287 178 G C -0.607 174.184 174.900 -0.182 0.000 1.055 178 G CA -0.083 44.936 45.100 -0.134 0.000 0.922 178 G HN 0.497 nan 8.290 nan 0.000 0.503 179 N N -1.284 117.305 118.700 -0.184 0.000 2.225 179 N HA 0.582 5.323 4.740 0.002 0.000 0.298 179 N C -0.389 174.968 175.510 -0.255 0.000 1.076 179 N CA -1.041 51.897 53.050 -0.187 0.000 0.792 179 N CB 1.102 39.572 38.487 -0.028 0.000 1.498 179 N HN 0.010 nan 8.380 nan 0.000 0.474 180 F N 1.684 121.463 119.950 -0.284 0.000 2.607 180 F HA 0.047 4.574 4.527 0.001 0.000 0.374 180 F C 0.811 176.442 175.800 -0.281 0.000 1.104 180 F CA -0.161 57.531 58.000 -0.514 0.000 1.296 180 F CB 0.245 38.380 39.000 -1.441 0.000 1.085 180 F HN 0.151 nan 8.300 nan 0.000 0.584 181 L N 3.408 124.672 121.223 0.068 0.000 2.525 181 L HA -0.048 4.293 4.340 0.002 0.000 0.278 181 L C 1.432 178.452 176.870 0.249 0.000 1.218 181 L CA -0.042 54.879 54.840 0.134 0.000 0.878 181 L CB 0.214 42.358 42.059 0.142 0.000 1.127 181 L HN 0.601 nan 8.230 nan 0.000 0.492 182 E N 2.067 122.410 120.200 0.237 0.000 2.347 182 E HA -0.145 4.206 4.350 0.002 0.000 0.196 182 E C 1.623 178.321 176.600 0.164 0.000 1.008 182 E CA 0.821 57.372 56.400 0.251 0.000 0.852 182 E CB 0.079 29.875 29.700 0.161 0.000 0.783 182 E HN 0.681 nan 8.360 nan 0.000 0.505 183 N N 0.165 118.944 118.700 0.132 0.000 2.494 183 N HA -0.122 4.619 4.740 0.002 0.000 0.182 183 N C 1.542 177.097 175.510 0.076 0.000 1.076 183 N CA 0.452 53.554 53.050 0.087 0.000 0.908 183 N CB -0.165 38.370 38.487 0.079 0.000 0.967 183 N HN 0.267 nan 8.380 nan 0.000 0.449 184 L N 0.747 122.040 121.223 0.116 0.000 2.275 184 L HA -0.010 4.331 4.340 0.002 0.000 0.215 184 L C 2.210 179.054 176.870 -0.043 0.000 1.119 184 L CA 0.878 55.763 54.840 0.074 0.000 0.790 184 L CB -0.247 41.885 42.059 0.121 0.000 0.919 184 L HN 0.062 nan 8.230 nan 0.000 0.443 185 K N 0.273 120.609 120.400 -0.106 0.000 2.362 185 K HA -0.138 4.183 4.320 0.002 0.000 0.200 185 K C 1.531 177.989 176.600 -0.237 0.000 1.046 185 K CA 0.867 56.877 56.287 -0.463 0.000 0.952 185 K CB -0.034 32.238 32.500 -0.381 0.000 0.753 185 K HN 0.432 nan 8.250 nan 0.000 0.466 186 E N 0.798 120.959 120.200 -0.065 0.000 2.478 186 E HA -0.094 4.257 4.350 0.002 0.000 0.198 186 E C 0.186 176.785 176.600 -0.002 0.000 1.046 186 E CA 0.359 56.758 56.400 0.000 0.000 0.870 186 E CB 0.178 29.889 29.700 0.019 0.000 0.818 186 E HN 0.117 nan 8.360 nan 0.000 0.527 187 D N 0.242 120.620 120.400 -0.036 0.000 2.483 187 D HA 0.032 4.674 4.640 0.002 0.000 0.281 187 D C 0.724 177.000 176.300 -0.039 0.000 1.174 187 D CA -0.034 53.950 54.000 -0.027 0.000 0.938 187 D CB 0.629 41.419 40.800 -0.017 0.000 1.002 187 D HN -0.173 nan 8.370 nan 0.000 0.501 188 T N 1.308 115.872 114.554 0.016 0.000 2.778 188 T HA -0.216 4.135 4.350 0.002 0.000 0.269 188 T C 1.679 176.385 174.700 0.009 0.000 1.050 188 T CA 1.575 63.721 62.100 0.077 0.000 1.137 188 T CB 0.101 69.035 68.868 0.109 0.000 0.860 188 T HN 0.314 nan 8.240 nan 0.000 0.468 189 K N -0.081 120.291 120.400 -0.047 0.000 2.026 189 K HA -0.017 4.304 4.320 0.002 0.000 0.208 189 K C 2.446 178.978 176.600 -0.113 0.000 1.048 189 K CA 1.289 57.503 56.287 -0.121 0.000 0.929 189 K CB -0.403 31.949 32.500 -0.246 0.000 0.713 189 K HN 0.374 nan 8.250 nan 0.000 0.439 190 A N 1.199 123.969 122.820 -0.084 0.000 1.969 190 A HA -0.090 4.231 4.320 0.002 0.000 0.218 190 A C 1.942 179.525 177.584 -0.001 0.000 1.169 190 A CA 0.942 52.987 52.037 0.013 0.000 0.635 190 A CB -0.354 18.650 19.000 0.007 0.000 0.810 190 A HN 0.266 nan 8.150 nan 0.000 0.445 191 I N -0.267 120.287 120.570 -0.027 0.000 2.394 191 I HA -0.170 4.001 4.170 0.002 0.000 0.251 191 I C 2.350 178.490 176.117 0.037 0.000 1.136 191 I CA 0.991 62.277 61.300 -0.023 0.000 1.425 191 I CB -1.041 36.930 38.000 -0.047 0.000 1.079 191 I HN 0.320 nan 8.210 nan 0.000 0.425 192 L N 0.028 121.282 121.223 0.052 0.000 2.056 192 L HA -0.184 4.158 4.340 0.002 0.000 0.207 192 L C 2.641 179.606 176.870 0.158 0.000 1.078 192 L CA 1.084 55.981 54.840 0.094 0.000 0.749 192 L CB -0.167 41.930 42.059 0.064 0.000 0.901 192 L HN 0.182 nan 8.230 nan 0.000 0.433 193 S N -0.062 115.723 115.700 0.142 0.000 2.356 193 S HA -0.195 4.276 4.470 0.002 0.000 0.223 193 S C 1.889 176.536 174.600 0.078 0.000 1.032 193 S CA 1.004 59.302 58.200 0.163 0.000 1.005 193 S CB -0.353 63.008 63.200 0.268 0.000 0.867 193 S HN 0.325 nan 8.310 nan 0.000 0.449 194 L N 0.199 121.415 121.223 -0.010 0.000 2.013 194 L HA -0.213 4.128 4.340 0.002 0.000 0.212 194 L C 2.351 179.137 176.870 -0.140 0.000 1.073 194 L CA 2.049 56.767 54.840 -0.203 0.000 0.753 194 L CB -0.508 41.360 42.059 -0.318 0.000 0.890 194 L HN 0.392 nan 8.230 nan 0.000 0.432 195 Y N 1.093 121.327 120.300 -0.108 0.000 2.070 195 Y HA -0.309 4.242 4.550 0.002 0.000 0.280 195 Y C 2.633 178.608 175.900 0.126 0.000 1.148 195 Y CA 2.030 60.122 58.100 -0.012 0.000 1.125 195 Y CB -0.248 38.234 38.460 0.035 0.000 0.975 195 Y HN 0.214 nan 8.280 nan 0.000 0.492 196 E N 0.414 120.679 120.200 0.108 0.000 2.058 196 E HA -0.250 4.101 4.350 0.002 0.000 0.194 196 E C 2.432 179.052 176.600 0.034 0.000 0.997 196 E CA 1.304 57.726 56.400 0.037 0.000 0.801 196 E CB -0.906 28.844 29.700 0.083 0.000 0.746 196 E HN 0.593 nan 8.360 nan 0.000 0.450 197 A N 1.663 124.488 122.820 0.008 0.000 1.933 197 A HA -0.199 4.123 4.320 0.002 0.000 0.218 197 A C 2.434 179.944 177.584 -0.123 0.000 1.175 197 A CA 2.252 54.293 52.037 0.006 0.000 0.628 197 A CB -0.679 18.326 19.000 0.008 0.000 0.814 197 A HN 0.359 nan 8.150 nan 0.000 0.444 198 S N -0.727 114.805 115.700 -0.281 0.000 2.400 198 S HA -0.178 4.293 4.470 0.002 0.000 0.232 198 S C 1.583 175.923 174.600 -0.432 0.000 1.025 198 S CA 1.496 59.444 58.200 -0.421 0.000 0.993 198 S CB -0.886 61.977 63.200 -0.563 0.000 0.808 198 S HN 0.407 nan 8.310 nan 0.000 0.478 199 F N 0.907 120.676 119.950 -0.302 0.000 2.546 199 F HA 0.255 4.783 4.527 0.002 0.000 0.298 199 F C 1.362 177.012 175.800 -0.251 0.000 1.120 199 F CA 0.306 58.133 58.000 -0.289 0.000 1.456 199 F CB -0.292 38.483 39.000 -0.374 0.000 1.088 199 F HN 0.206 nan 8.300 nan 0.000 0.572 200 L N -0.281 120.865 121.223 -0.129 0.000 2.629 200 L HA 0.260 4.601 4.340 0.002 0.000 0.230 200 L C 1.166 178.055 176.870 0.031 0.000 1.151 200 L CA -0.154 54.578 54.840 -0.181 0.000 0.924 200 L CB -1.211 40.771 42.059 -0.128 0.000 1.137 200 L HN -0.044 nan 8.230 nan 0.000 0.457 201 A N 0.022 122.856 122.820 0.023 0.000 2.445 201 A HA 0.459 4.780 4.320 0.002 0.000 0.242 201 A C 0.061 177.698 177.584 0.088 0.000 1.075 201 A CA -0.059 52.016 52.037 0.063 0.000 0.777 201 A CB 0.160 19.146 19.000 -0.022 0.000 1.013 201 A HN 0.207 nan 8.150 nan 0.000 0.493 202 L N 0.833 122.116 121.223 0.101 0.000 2.358 202 L HA 0.359 4.700 4.340 0.002 0.000 0.268 202 L C 0.638 177.552 176.870 0.074 0.000 1.032 202 L CA -0.720 54.175 54.840 0.092 0.000 0.805 202 L CB 0.944 43.057 42.059 0.090 0.000 1.253 202 L HN 0.753 nan 8.230 nan 0.000 0.452 203 E N 0.469 120.709 120.200 0.067 0.000 2.452 203 E HA 0.136 4.487 4.350 0.002 0.000 0.261 203 E C 0.723 177.354 176.600 0.051 0.000 0.987 203 E CA 1.047 57.480 56.400 0.055 0.000 0.926 203 E CB 0.435 30.165 29.700 0.050 0.000 0.934 203 E HN 0.841 nan 8.360 nan 0.000 0.452 204 G N 3.303 112.129 108.800 0.043 0.000 2.217 204 G HA2 -0.310 3.651 3.960 0.002 0.000 0.246 204 G HA3 -0.310 3.651 3.960 0.002 0.000 0.246 204 G C 0.107 175.034 174.900 0.046 0.000 0.990 204 G CA -0.038 45.087 45.100 0.041 0.000 0.627 204 G HN 0.615 nan 8.290 nan 0.000 0.522 205 E N 2.096 122.329 120.200 0.054 0.000 2.148 205 E HA 0.107 4.458 4.350 0.002 0.000 0.308 205 E C 1.755 178.377 176.600 0.037 0.000 1.278 205 E CA 0.060 56.499 56.400 0.065 0.000 1.368 205 E CB -0.115 29.643 29.700 0.096 0.000 1.229 205 E HN 0.661 nan 8.360 nan 0.000 0.494 206 N N 2.038 120.756 118.700 0.030 0.000 2.184 206 N HA -0.243 4.498 4.740 0.002 0.000 0.190 206 N C 1.477 176.998 175.510 0.018 0.000 1.011 206 N CA 1.310 54.370 53.050 0.016 0.000 0.867 206 N CB -0.198 38.296 38.487 0.012 0.000 0.993 206 N HN 0.389 nan 8.380 nan 0.000 0.433 207 I N 0.906 121.497 120.570 0.034 0.000 2.208 207 I HA -0.224 3.947 4.170 0.002 0.000 0.245 207 I C 2.356 178.501 176.117 0.047 0.000 1.097 207 I CA 0.980 62.315 61.300 0.057 0.000 1.363 207 I CB -0.232 37.828 38.000 0.101 0.000 1.051 207 I HN 0.076 nan 8.210 nan 0.000 0.413 208 L N -0.056 121.146 121.223 -0.035 0.000 2.156 208 L HA -0.174 4.167 4.340 0.002 0.000 0.208 208 L C 2.006 178.777 176.870 -0.165 0.000 1.095 208 L CA 1.062 55.794 54.840 -0.179 0.000 0.770 208 L CB -0.672 41.279 42.059 -0.180 0.000 0.914 208 L HN 0.203 nan 8.230 nan 0.000 0.439 209 D N 0.512 120.859 120.400 -0.089 0.000 2.097 209 D HA -0.185 4.456 4.640 0.002 0.000 0.195 209 D C 2.122 178.395 176.300 -0.044 0.000 0.989 209 D CA 1.289 55.238 54.000 -0.085 0.000 0.827 209 D CB 0.078 40.855 40.800 -0.038 0.000 0.966 209 D HN 0.345 nan 8.370 nan 0.000 0.456 210 E N 0.148 120.364 120.200 0.028 0.000 2.152 210 E HA -0.049 4.302 4.350 0.002 0.000 0.192 210 E C 2.035 178.733 176.600 0.163 0.000 0.983 210 E CA 0.798 57.267 56.400 0.115 0.000 0.818 210 E CB -0.050 29.739 29.700 0.147 0.000 0.758 210 E HN 0.217 nan 8.360 nan 0.000 0.467 211 A N 1.834 124.697 122.820 0.071 0.000 1.902 211 A HA -0.205 4.116 4.320 0.002 0.000 0.217 211 A C 2.150 179.626 177.584 -0.180 0.000 1.181 211 A CA 1.489 53.369 52.037 -0.263 0.000 0.623 211 A CB -0.445 18.238 19.000 -0.529 0.000 0.818 211 A HN 0.087 nan 8.150 nan 0.000 0.443 212 R N -0.280 120.114 120.500 -0.176 0.000 2.081 212 R HA -0.113 4.228 4.340 0.002 0.000 0.235 212 R C 1.925 178.228 176.300 0.004 0.000 1.131 212 R CA 1.876 57.887 56.100 -0.149 0.000 0.960 212 R CB -0.397 29.695 30.300 -0.345 0.000 0.856 212 R HN 0.335 nan 8.270 nan 0.000 0.436 213 V N 0.667 120.593 119.914 0.019 0.000 2.307 213 V HA -0.233 3.888 4.120 0.002 0.000 0.245 213 V C 2.044 178.196 176.094 0.097 0.000 1.045 213 V CA 1.910 64.246 62.300 0.060 0.000 1.024 213 V CB -0.743 31.122 31.823 0.070 0.000 0.651 213 V HN 0.322 nan 8.190 nan 0.000 0.449 214 F N 1.448 121.381 119.950 -0.029 0.000 2.126 214 F HA -0.156 4.372 4.527 0.001 0.000 0.299 214 F C 2.281 178.044 175.800 -0.063 0.000 1.096 214 F CA 1.526 59.504 58.000 -0.036 0.000 1.255 214 F CB -0.442 38.519 39.000 -0.064 0.000 0.997 214 F HN 0.067 nan 8.300 nan 0.000 0.479 215 A N 0.960 123.830 122.820 0.083 0.000 1.845 215 A HA -0.152 4.169 4.320 0.002 0.000 0.215 215 A C 2.273 179.832 177.584 -0.041 0.000 1.195 215 A CA 2.006 54.056 52.037 0.020 0.000 0.616 215 A CB -1.283 17.792 19.000 0.124 0.000 0.832 215 A HN 0.472 nan 8.150 nan 0.000 0.443 216 I N 0.711 121.284 120.570 0.006 0.000 2.151 216 I HA -0.304 3.867 4.170 0.002 0.000 0.243 216 I C 2.900 178.960 176.117 -0.095 0.000 1.080 216 I CA 1.738 63.000 61.300 -0.064 0.000 1.339 216 I CB -0.426 37.593 38.000 0.032 0.000 1.039 216 I HN 0.545 nan 8.210 nan 0.000 0.409 217 S N 0.021 115.668 115.700 -0.089 0.000 2.407 217 S HA -0.348 4.123 4.470 0.002 0.000 0.235 217 S C 1.988 176.508 174.600 -0.133 0.000 1.036 217 S CA 2.106 60.239 58.200 -0.111 0.000 1.013 217 S CB -0.597 62.526 63.200 -0.128 0.000 0.820 217 S HN 0.661 nan 8.310 nan 0.000 0.476 218 H N 1.001 119.908 119.070 -0.272 0.000 2.370 218 H HA 0.313 4.870 4.556 0.001 0.000 0.304 218 H C 1.915 177.133 175.328 -0.184 0.000 1.055 218 H CA 1.376 57.273 56.048 -0.252 0.000 1.373 218 H CB -0.468 29.102 29.762 -0.319 0.000 1.423 218 H HN 0.353 nan 8.280 nan 0.000 0.533 219 L N 0.423 121.508 121.223 -0.230 0.000 2.129 219 L HA -0.187 4.154 4.340 0.002 0.000 0.212 219 L C 2.222 178.931 176.870 -0.269 0.000 1.087 219 L CA 1.542 56.213 54.840 -0.282 0.000 0.757 219 L CB -0.361 41.531 42.059 -0.278 0.000 0.896 219 L HN 0.286 nan 8.230 nan 0.000 0.434 220 K N -0.106 120.163 120.400 -0.218 0.000 2.288 220 K HA -0.112 4.209 4.320 0.002 0.000 0.201 220 K C 1.893 178.393 176.600 -0.166 0.000 1.048 220 K CA 0.847 57.035 56.287 -0.164 0.000 0.956 220 K CB 0.077 32.506 32.500 -0.118 0.000 0.746 220 K HN 0.419 nan 8.250 nan 0.000 0.461 221 E N 0.440 120.506 120.200 -0.223 0.000 2.076 221 E HA -0.073 4.278 4.350 0.002 0.000 0.190 221 E C 0.086 176.563 176.600 -0.205 0.000 0.979 221 E CA 0.061 56.340 56.400 -0.200 0.000 0.807 221 E CB 0.041 29.609 29.700 -0.220 0.000 0.761 221 E HN -0.010 nan 8.360 nan 0.000 0.454 222 L N 1.107 122.154 121.223 -0.295 0.000 2.535 222 L HA -0.078 4.263 4.340 0.002 0.000 0.301 222 L C 0.357 177.150 176.870 -0.129 0.000 1.275 222 L CA 0.985 55.693 54.840 -0.221 0.000 0.843 222 L CB 0.180 42.096 42.059 -0.238 0.000 1.094 222 L HN -0.074 nan 8.230 nan 0.000 0.532 223 S N 0.016 115.662 115.700 -0.090 0.000 2.540 223 S HA 0.256 4.728 4.470 0.002 0.000 0.275 223 S C 0.662 175.237 174.600 -0.041 0.000 1.123 223 S CA -0.636 57.529 58.200 -0.059 0.000 0.907 223 S CB 1.095 64.266 63.200 -0.048 0.000 1.081 223 S HN 0.739 nan 8.310 nan 0.000 0.476 224 E N 2.112 122.294 120.200 -0.029 0.000 2.284 224 E HA -0.235 4.116 4.350 0.002 0.000 0.200 224 E C 1.318 177.908 176.600 -0.016 0.000 1.008 224 E CA 1.633 58.022 56.400 -0.018 0.000 0.829 224 E CB 0.030 29.724 29.700 -0.011 0.000 0.744 224 E HN 0.784 nan 8.360 nan 0.000 0.491 225 E N 0.015 120.204 120.200 -0.019 0.000 2.158 225 E HA -0.132 4.219 4.350 0.002 0.000 0.191 225 E C 1.632 178.223 176.600 -0.015 0.000 0.982 225 E CA 0.618 57.009 56.400 -0.015 0.000 0.823 225 E CB 0.248 29.939 29.700 -0.016 0.000 0.766 225 E HN 0.197 nan 8.360 nan 0.000 0.468 226 K N 0.670 121.058 120.400 -0.020 0.000 2.017 226 K HA -0.025 4.296 4.320 0.002 0.000 0.207 226 K C 2.452 179.046 176.600 -0.010 0.000 1.035 226 K CA 1.363 57.640 56.287 -0.016 0.000 0.947 226 K CB -0.358 32.127 32.500 -0.026 0.000 0.749 226 K HN 0.228 nan 8.250 nan 0.000 0.443 227 I N -1.320 119.241 120.570 -0.014 0.000 2.439 227 I HA 0.107 4.278 4.170 0.002 0.000 0.251 227 I C 0.764 176.880 176.117 -0.003 0.000 1.139 227 I CA 0.735 62.032 61.300 -0.005 0.000 1.438 227 I CB -0.377 37.618 38.000 -0.009 0.000 1.085 227 I HN 0.237 nan 8.210 nan 0.000 0.427 228 G N 1.476 110.272 108.800 -0.006 0.000 2.465 228 G HA2 -0.132 3.830 3.960 0.002 0.000 0.681 228 G HA3 -0.132 3.830 3.960 0.002 0.000 0.681 228 G C 0.023 174.923 174.900 -0.000 0.000 1.340 228 G CA -0.040 45.058 45.100 -0.004 0.000 0.884 228 G HN 0.251 nan 8.290 nan 0.000 0.650 229 K N -0.041 120.358 120.400 -0.002 0.000 2.113 229 K HA -0.148 4.173 4.320 0.002 0.000 0.208 229 K C 2.046 178.653 176.600 0.012 0.000 1.047 229 K CA 2.245 58.532 56.287 0.001 0.000 0.928 229 K CB -0.072 32.424 32.500 -0.006 0.000 0.716 229 K HN 0.617 nan 8.250 nan 0.000 0.446 230 E N 0.131 120.336 120.200 0.009 0.000 2.015 230 E HA -0.183 4.168 4.350 0.002 0.000 0.191 230 E C 2.003 178.634 176.600 0.052 0.000 0.991 230 E CA 0.840 57.252 56.400 0.020 0.000 0.802 230 E CB 0.018 29.723 29.700 0.008 0.000 0.759 230 E HN 0.184 nan 8.360 nan 0.000 0.447 231 L N 0.825 122.070 121.223 0.038 0.000 2.079 231 L HA -0.171 4.170 4.340 0.002 0.000 0.210 231 L C 2.521 179.416 176.870 0.043 0.000 1.081 231 L CA 1.816 56.681 54.840 0.042 0.000 0.752 231 L CB -1.484 40.585 42.059 0.018 0.000 0.896 231 L HN 0.276 nan 8.230 nan 0.000 0.433 232 A N -0.263 122.574 122.820 0.030 0.000 1.883 232 A HA -0.236 4.085 4.320 0.002 0.000 0.217 232 A C 2.142 179.763 177.584 0.063 0.000 1.186 232 A CA 1.714 53.764 52.037 0.021 0.000 0.624 232 A CB -0.487 18.518 19.000 0.009 0.000 0.822 232 A HN 0.501 nan 8.150 nan 0.000 0.444 233 E N -1.112 119.154 120.200 0.110 0.000 2.118 233 E HA -0.270 4.081 4.350 0.002 0.000 0.195 233 E C 2.257 179.037 176.600 0.299 0.000 0.992 233 E CA 1.418 57.948 56.400 0.216 0.000 0.804 233 E CB -0.128 29.702 29.700 0.217 0.000 0.741 233 E HN 0.671 nan 8.360 nan 0.000 0.458 234 Q N 0.553 120.501 119.800 0.245 0.000 2.050 234 Q HA -0.131 4.210 4.340 0.002 0.000 0.202 234 Q C 2.135 178.178 176.000 0.072 0.000 0.980 234 Q CA 1.298 57.230 55.803 0.215 0.000 0.840 234 Q CB -0.120 28.720 28.738 0.170 0.000 0.898 234 Q HN 0.114 nan 8.270 nan 0.000 0.424 235 V N 1.302 121.229 119.914 0.021 0.000 2.261 235 V HA -0.279 3.842 4.120 0.002 0.000 0.246 235 V C 1.901 177.936 176.094 -0.098 0.000 1.047 235 V CA 2.000 64.258 62.300 -0.068 0.000 1.015 235 V CB -0.821 30.950 31.823 -0.087 0.000 0.642 235 V HN 0.442 nan 8.190 nan 0.000 0.446 236 N N -0.164 118.510 118.700 -0.043 0.000 2.094 236 N HA -0.241 4.500 4.740 0.002 0.000 0.191 236 N C 1.839 177.300 175.510 -0.081 0.000 1.023 236 N CA 2.036 55.056 53.050 -0.050 0.000 0.857 236 N CB -0.603 37.889 38.487 0.009 0.000 1.013 236 N HN 0.672 nan 8.380 nan 0.000 0.426 237 H N 0.872 119.815 119.070 -0.212 0.000 2.321 237 H HA 0.055 4.612 4.556 0.002 0.000 0.300 237 H C 1.882 176.993 175.328 -0.362 0.000 1.087 237 H CA 2.052 57.831 56.048 -0.449 0.000 1.319 237 H CB -0.305 28.885 29.762 -0.953 0.000 1.379 237 H HN 0.240 nan 8.280 nan 0.000 0.501 238 A N 0.240 122.895 122.820 -0.276 0.000 1.930 238 A HA -0.054 4.267 4.320 0.002 0.000 0.217 238 A C 2.472 179.954 177.584 -0.170 0.000 1.175 238 A CA 1.376 53.291 52.037 -0.205 0.000 0.627 238 A CB -0.718 18.230 19.000 -0.087 0.000 0.815 238 A HN 0.469 nan 8.150 nan 0.000 0.443 239 L N -0.797 120.277 121.223 -0.248 0.000 2.291 239 L HA -0.110 4.231 4.340 0.002 0.000 0.214 239 L C 2.511 179.301 176.870 -0.133 0.000 1.120 239 L CA 1.331 56.051 54.840 -0.201 0.000 0.799 239 L CB -0.347 41.590 42.059 -0.205 0.000 0.925 239 L HN 0.580 nan 8.230 nan 0.000 0.446 240 E N 0.278 120.363 120.200 -0.193 0.000 2.107 240 E HA -0.066 4.285 4.350 0.002 0.000 0.191 240 E C 0.466 176.941 176.600 -0.209 0.000 0.982 240 E CA 0.689 56.981 56.400 -0.180 0.000 0.809 240 E CB 0.549 30.116 29.700 -0.222 0.000 0.756 240 E HN 0.215 nan 8.360 nan 0.000 0.459 241 L N 0.757 121.788 121.223 -0.319 0.000 2.787 241 L HA 0.260 4.601 4.340 0.002 0.000 0.260 241 L C -2.708 173.863 176.870 -0.499 0.000 0.921 241 L CA -1.684 52.924 54.840 -0.386 0.000 0.984 241 L CB 2.369 44.222 42.059 -0.343 0.000 1.519 241 L HN -0.039 nan 8.230 nan 0.000 0.452 242 P HA 0.054 nan 4.420 nan 0.000 0.272 242 P C 0.683 177.653 177.300 -0.551 0.000 1.230 242 P CA -0.500 62.149 63.100 -0.751 0.000 0.788 242 P CB 1.269 31.919 31.700 -1.749 0.000 0.949 243 L N 1.576 122.588 121.223 -0.351 0.000 2.043 243 L HA -0.210 4.131 4.340 0.002 0.000 0.212 243 L C 2.537 179.289 176.870 -0.195 0.000 1.075 243 L CA 2.129 56.843 54.840 -0.210 0.000 0.752 243 L CB -2.154 39.856 42.059 -0.082 0.000 0.891 243 L HN 0.573 nan 8.230 nan 0.000 0.432 244 H N -0.649 118.223 119.070 -0.331 0.000 2.491 244 H HA -0.023 4.534 4.556 0.002 0.000 0.290 244 H C 1.997 177.084 175.328 -0.401 0.000 1.050 244 H CA 1.479 57.353 56.048 -0.290 0.000 1.309 244 H CB 0.166 29.781 29.762 -0.246 0.000 1.392 244 H HN 0.242 nan 8.280 nan 0.000 0.554 245 R N -0.402 119.720 120.500 -0.630 0.000 2.334 245 R HA 0.170 4.511 4.340 0.002 0.000 0.212 245 R C 0.453 176.566 176.300 -0.312 0.000 0.897 245 R CA -0.214 55.493 56.100 -0.655 0.000 1.056 245 R CB 0.745 30.468 30.300 -0.962 0.000 1.046 245 R HN 0.057 nan 8.270 nan 0.000 0.513 246 R N 2.009 122.337 120.500 -0.287 0.000 2.404 246 R HA 0.101 4.442 4.340 0.002 0.000 0.291 246 R C -0.276 175.936 176.300 -0.147 0.000 1.025 246 R CA -0.193 55.791 56.100 -0.193 0.000 0.991 246 R CB 1.007 31.176 30.300 -0.219 0.000 1.053 246 R HN -0.046 nan 8.270 nan 0.000 0.479 247 T N 0.645 115.122 114.554 -0.128 0.000 2.932 247 T HA -0.065 4.286 4.350 0.002 0.000 0.312 247 T C 1.189 175.786 174.700 -0.171 0.000 1.071 247 T CA -0.329 61.678 62.100 -0.154 0.000 1.128 247 T CB 1.282 70.036 68.868 -0.190 0.000 0.984 247 T HN 0.752 nan 8.240 nan 0.000 0.549 248 Q N 1.693 121.330 119.800 -0.272 0.000 2.135 248 Q HA -0.191 4.150 4.340 0.002 0.000 0.204 248 Q C 2.201 178.029 176.000 -0.288 0.000 0.981 248 Q CA 1.457 57.022 55.803 -0.396 0.000 0.856 248 Q CB -0.226 27.969 28.738 -0.905 0.000 0.902 248 Q HN 0.627 nan 8.270 nan 0.000 0.425 249 R N 0.334 120.689 120.500 -0.241 0.000 2.070 249 R HA 0.032 4.373 4.340 0.002 0.000 0.233 249 R C 2.207 178.588 176.300 0.135 0.000 1.137 249 R CA 1.714 57.822 56.100 0.012 0.000 0.945 249 R CB -0.842 29.487 30.300 0.048 0.000 0.845 249 R HN 0.431 nan 8.270 nan 0.000 0.430 250 L N 0.415 121.680 121.223 0.070 0.000 2.191 250 L HA -0.150 4.191 4.340 0.002 0.000 0.212 250 L C 2.252 179.208 176.870 0.145 0.000 1.103 250 L CA 1.031 55.946 54.840 0.124 0.000 0.769 250 L CB -0.282 41.828 42.059 0.085 0.000 0.908 250 L HN 0.208 nan 8.230 nan 0.000 0.438 251 E N 0.040 120.291 120.200 0.085 0.000 2.072 251 E HA -0.129 4.222 4.350 0.002 0.000 0.190 251 E C 2.237 178.929 176.600 0.152 0.000 0.982 251 E CA 1.225 57.704 56.400 0.130 0.000 0.803 251 E CB -0.043 29.686 29.700 0.047 0.000 0.755 251 E HN 0.407 nan 8.360 nan 0.000 0.453 252 A N 1.062 123.942 122.820 0.100 0.000 1.865 252 A HA -0.198 4.124 4.320 0.002 0.000 0.217 252 A C 2.519 180.075 177.584 -0.047 0.000 1.191 252 A CA 2.560 54.642 52.037 0.075 0.000 0.623 252 A CB -1.117 18.004 19.000 0.201 0.000 0.826 252 A HN 0.193 nan 8.150 nan 0.000 0.444 253 V N -3.503 116.360 119.914 -0.086 0.000 2.252 253 V HA -0.309 3.812 4.120 0.002 0.000 0.249 253 V C 2.266 178.322 176.094 -0.063 0.000 1.056 253 V CA 1.986 64.159 62.300 -0.212 0.000 1.022 253 V CB -1.648 30.141 31.823 -0.058 0.000 0.641 253 V HN 0.732 nan 8.190 nan 0.000 0.445 254 W N 1.214 122.453 121.300 -0.101 0.000 2.333 254 W HA -0.173 4.487 4.660 0.001 0.000 0.316 254 W C 2.878 179.300 176.519 -0.162 0.000 1.215 254 W CA 2.646 59.907 57.345 -0.140 0.000 1.278 254 W CB -0.345 29.005 29.460 -0.184 0.000 1.154 254 W HN 0.179 nan 8.180 nan 0.000 0.486 255 S N 0.462 116.301 115.700 0.232 0.000 2.399 255 S HA -0.199 4.272 4.470 0.002 0.000 0.231 255 S C 1.743 176.311 174.600 -0.054 0.000 1.022 255 S CA 1.544 59.812 58.200 0.112 0.000 0.983 255 S CB -0.455 62.849 63.200 0.173 0.000 0.803 255 S HN 0.272 nan 8.310 nan 0.000 0.480 256 I N 0.994 121.517 120.570 -0.078 0.000 2.353 256 I HA -0.093 4.078 4.170 0.002 0.000 0.248 256 I C 2.656 178.713 176.117 -0.099 0.000 1.119 256 I CA 0.951 62.215 61.300 -0.060 0.000 1.417 256 I CB -0.222 37.712 38.000 -0.111 0.000 1.078 256 I HN 0.188 nan 8.210 nan 0.000 0.421 257 E N 1.036 121.103 120.200 -0.221 0.000 2.204 257 E HA -0.142 4.209 4.350 0.002 0.000 0.194 257 E C 2.127 178.540 176.600 -0.312 0.000 0.989 257 E CA 1.278 57.523 56.400 -0.258 0.000 0.824 257 E CB 0.128 29.634 29.700 -0.324 0.000 0.756 257 E HN 0.470 nan 8.360 nan 0.000 0.477 258 A N -0.648 121.907 122.820 -0.442 0.000 2.030 258 A HA -0.088 4.233 4.320 0.002 0.000 0.215 258 A C 1.928 179.426 177.584 -0.143 0.000 1.164 258 A CA 0.445 52.226 52.037 -0.426 0.000 0.697 258 A CB -0.421 18.104 19.000 -0.791 0.000 0.827 258 A HN 0.286 nan 8.150 nan 0.000 0.457 259 Y N 1.552 121.741 120.300 -0.186 0.000 2.337 259 Y HA -0.097 4.454 4.550 0.002 0.000 0.293 259 Y C 2.402 178.265 175.900 -0.061 0.000 1.123 259 Y CA 1.560 59.606 58.100 -0.090 0.000 1.201 259 Y CB -0.091 38.338 38.460 -0.053 0.000 1.011 259 Y HN 0.435 nan 8.280 nan 0.000 0.545 260 R N 0.008 120.493 120.500 -0.025 0.000 2.280 260 R HA -0.034 4.307 4.340 0.002 0.000 0.207 260 R C 1.390 177.629 176.300 -0.103 0.000 1.043 260 R CA 1.179 57.248 56.100 -0.052 0.000 1.006 260 R CB -0.349 29.961 30.300 0.017 0.000 0.885 260 R HN 0.235 nan 8.270 nan 0.000 0.467 261 K N 0.895 121.218 120.400 -0.128 0.000 2.356 261 K HA 0.095 4.416 4.320 0.002 0.000 0.195 261 K C 0.031 176.553 176.600 -0.130 0.000 1.037 261 K CA 0.291 56.506 56.287 -0.120 0.000 1.014 261 K CB 0.341 32.767 32.500 -0.124 0.000 0.815 261 K HN 0.129 nan 8.250 nan 0.000 0.507 262 K N 1.610 121.900 120.400 -0.184 0.000 2.322 262 K HA 0.018 4.339 4.320 0.002 0.000 0.283 262 K C 0.682 177.173 176.600 -0.183 0.000 1.042 262 K CA -0.032 56.142 56.287 -0.188 0.000 0.958 262 K CB 1.218 33.562 32.500 -0.260 0.000 0.984 262 K HN 0.071 nan 8.250 nan 0.000 0.473 263 E N 1.996 122.124 120.200 -0.119 0.000 2.107 263 E HA -0.175 4.176 4.350 0.002 0.000 0.191 263 E C 0.593 177.137 176.600 -0.095 0.000 0.982 263 E CA 1.269 57.614 56.400 -0.093 0.000 0.809 263 E CB 0.275 29.938 29.700 -0.062 0.000 0.756 263 E HN 0.626 nan 8.360 nan 0.000 0.459 264 D N 0.180 120.522 120.400 -0.096 0.000 2.323 264 D HA 0.054 4.695 4.640 0.002 0.000 0.239 264 D C -0.017 176.216 176.300 -0.112 0.000 1.129 264 D CA -0.015 53.941 54.000 -0.073 0.000 0.865 264 D CB -0.213 40.564 40.800 -0.038 0.000 0.913 264 D HN 0.091 nan 8.370 nan 0.000 0.517 265 A N 0.827 123.504 122.820 -0.237 0.000 2.462 265 A HA 0.107 4.428 4.320 0.002 0.000 0.243 265 A C 0.575 178.073 177.584 -0.144 0.000 1.076 265 A CA -0.491 51.279 52.037 -0.447 0.000 0.773 265 A CB 0.112 18.598 19.000 -0.857 0.000 1.010 265 A HN 0.239 nan 8.150 nan 0.000 0.493 266 N N 2.056 120.788 118.700 0.053 0.000 2.402 266 N HA -0.018 4.723 4.740 0.002 0.000 0.259 266 N C 0.787 176.351 175.510 0.090 0.000 1.167 266 N CA -0.154 52.960 53.050 0.106 0.000 0.949 266 N CB 0.656 39.235 38.487 0.153 0.000 1.212 266 N HN 0.583 nan 8.380 nan 0.000 0.493 267 Q N 2.616 122.445 119.800 0.048 0.000 2.152 267 Q HA -0.113 4.228 4.340 0.002 0.000 0.206 267 Q C 1.680 177.597 176.000 -0.139 0.000 0.985 267 Q CA 1.095 56.918 55.803 0.034 0.000 0.863 267 Q CB -0.215 28.620 28.738 0.162 0.000 0.904 267 Q HN 0.526 nan 8.270 nan 0.000 0.422 268 V N 1.002 120.876 119.914 -0.067 0.000 2.270 268 V HA -0.230 3.891 4.120 0.002 0.000 0.245 268 V C 2.307 178.344 176.094 -0.094 0.000 1.043 268 V CA 1.516 63.758 62.300 -0.097 0.000 1.014 268 V CB -0.669 31.133 31.823 -0.035 0.000 0.645 268 V HN 0.242 nan 8.190 nan 0.000 0.447 269 L N -0.207 121.000 121.223 -0.027 0.000 2.046 269 L HA -0.139 4.202 4.340 0.002 0.000 0.208 269 L C 2.216 179.086 176.870 -0.001 0.000 1.077 269 L CA 1.826 56.660 54.840 -0.009 0.000 0.747 269 L CB -0.843 41.218 42.059 0.002 0.000 0.896 269 L HN 0.231 nan 8.230 nan 0.000 0.432 270 L N -0.303 120.953 121.223 0.056 0.000 2.046 270 L HA -0.243 4.098 4.340 0.002 0.000 0.208 270 L C 2.401 179.193 176.870 -0.130 0.000 1.077 270 L CA 2.386 57.271 54.840 0.074 0.000 0.747 270 L CB -0.788 41.368 42.059 0.162 0.000 0.896 270 L HN 0.602 nan 8.230 nan 0.000 0.432 271 E N -0.301 119.637 120.200 -0.438 0.000 2.106 271 E HA -0.222 4.129 4.350 0.002 0.000 0.192 271 E C 2.450 178.939 176.600 -0.185 0.000 0.984 271 E CA 0.709 56.770 56.400 -0.565 0.000 0.806 271 E CB -0.003 29.076 29.700 -1.035 0.000 0.750 271 E HN 0.555 nan 8.360 nan 0.000 0.458 272 L N 0.385 121.544 121.223 -0.107 0.000 2.017 272 L HA -0.158 4.183 4.340 0.002 0.000 0.208 272 L C 2.505 179.419 176.870 0.074 0.000 1.073 272 L CA 1.413 56.259 54.840 0.010 0.000 0.745 272 L CB -0.494 41.608 42.059 0.073 0.000 0.894 272 L HN 0.233 nan 8.230 nan 0.000 0.432 273 A N 0.373 123.231 122.820 0.062 0.000 1.892 273 A HA -0.265 4.056 4.320 0.002 0.000 0.218 273 A C 2.082 179.745 177.584 0.132 0.000 1.188 273 A CA 2.087 54.184 52.037 0.099 0.000 0.631 273 A CB -0.779 18.251 19.000 0.050 0.000 0.822 273 A HN 0.505 nan 8.150 nan 0.000 0.447 274 I N -0.862 119.763 120.570 0.092 0.000 2.252 274 I HA -0.210 3.961 4.170 0.002 0.000 0.245 274 I C 2.522 178.727 176.117 0.146 0.000 1.102 274 I CA 1.222 62.594 61.300 0.119 0.000 1.385 274 I CB -0.290 37.776 38.000 0.110 0.000 1.064 274 I HN 0.414 nan 8.210 nan 0.000 0.414 275 L N 0.547 121.833 121.223 0.104 0.000 2.017 275 L HA -0.290 4.052 4.340 0.002 0.000 0.208 275 L C 2.380 179.309 176.870 0.099 0.000 1.073 275 L CA 1.875 56.763 54.840 0.079 0.000 0.745 275 L CB -0.444 41.641 42.059 0.042 0.000 0.894 275 L HN 0.331 nan 8.230 nan 0.000 0.432 276 D N -1.548 118.954 120.400 0.169 0.000 2.144 276 D HA -0.265 4.377 4.640 0.002 0.000 0.200 276 D C 1.962 178.370 176.300 0.180 0.000 0.978 276 D CA 1.127 55.273 54.000 0.243 0.000 0.833 276 D CB 0.023 41.009 40.800 0.311 0.000 0.961 276 D HN 0.464 nan 8.370 nan 0.000 0.470 277 Y N 1.842 122.191 120.300 0.083 0.000 2.114 277 Y HA -0.185 4.366 4.550 0.002 0.000 0.284 277 Y C 2.126 178.029 175.900 0.004 0.000 1.143 277 Y CA 1.799 59.929 58.100 0.050 0.000 1.135 277 Y CB -0.306 38.187 38.460 0.055 0.000 0.980 277 Y HN -0.043 nan 8.280 nan 0.000 0.499 278 N N 0.070 118.876 118.700 0.178 0.000 2.289 278 N HA -0.207 4.534 4.740 0.002 0.000 0.184 278 N C 1.970 177.435 175.510 -0.075 0.000 1.016 278 N CA 1.567 54.652 53.050 0.057 0.000 0.872 278 N CB -0.479 38.053 38.487 0.076 0.000 0.973 278 N HN 0.540 nan 8.380 nan 0.000 0.433 279 M N 0.215 119.777 119.600 -0.064 0.000 2.175 279 M HA -0.036 4.446 4.480 0.002 0.000 0.264 279 M C 1.641 177.854 176.300 -0.145 0.000 1.063 279 M CA 1.268 56.519 55.300 -0.081 0.000 1.119 279 M CB 0.028 32.641 32.600 0.021 0.000 1.377 279 M HN -0.013 nan 8.290 nan 0.000 0.415 280 I N 0.010 120.445 120.570 -0.225 0.000 2.353 280 I HA -0.267 3.904 4.170 0.002 0.000 0.248 280 I C 2.575 178.247 176.117 -0.742 0.000 1.119 280 I CA 1.102 62.140 61.300 -0.436 0.000 1.417 280 I CB -0.474 37.255 38.000 -0.451 0.000 1.078 280 I HN 0.488 nan 8.210 nan 0.000 0.421 281 Q N 0.866 120.305 119.800 -0.600 0.000 2.124 281 Q HA -0.225 4.116 4.340 0.002 0.000 0.202 281 Q C 2.319 178.204 176.000 -0.192 0.000 0.977 281 Q CA 2.162 57.709 55.803 -0.427 0.000 0.850 281 Q CB 0.006 28.629 28.738 -0.191 0.000 0.901 281 Q HN 0.569 nan 8.270 nan 0.000 0.429 282 S N -1.016 114.588 115.700 -0.160 0.000 2.399 282 S HA -0.101 4.370 4.470 0.002 0.000 0.231 282 S C 1.882 176.449 174.600 -0.055 0.000 1.022 282 S CA 1.206 59.360 58.200 -0.077 0.000 0.983 282 S CB -0.436 62.714 63.200 -0.082 0.000 0.803 282 S HN 0.247 nan 8.310 nan 0.000 0.480 283 V N 0.835 120.681 119.914 -0.114 0.000 2.307 283 V HA -0.110 4.011 4.120 0.002 0.000 0.245 283 V C 2.415 178.598 176.094 0.147 0.000 1.045 283 V CA 1.655 63.942 62.300 -0.021 0.000 1.024 283 V CB -1.120 30.670 31.823 -0.055 0.000 0.651 283 V HN 0.446 nan 8.190 nan 0.000 0.449 284 Y N 1.048 121.416 120.300 0.113 0.000 2.151 284 Y HA -0.270 4.281 4.550 0.002 0.000 0.284 284 Y C 2.675 178.614 175.900 0.065 0.000 1.166 284 Y CA 1.225 59.474 58.100 0.249 0.000 1.163 284 Y CB -1.318 37.340 38.460 0.329 0.000 0.974 284 Y HN 0.361 nan 8.280 nan 0.000 0.511 285 Q N -0.360 119.548 119.800 0.180 0.000 2.135 285 Q HA -0.224 4.118 4.340 0.002 0.000 0.204 285 Q C 2.430 178.428 176.000 -0.003 0.000 0.981 285 Q CA 1.643 57.475 55.803 0.050 0.000 0.856 285 Q CB -0.242 28.524 28.738 0.047 0.000 0.902 285 Q HN 0.434 nan 8.270 nan 0.000 0.425 286 R N 0.531 121.049 120.500 0.029 0.000 2.090 286 R HA -0.137 4.204 4.340 0.002 0.000 0.228 286 R C 1.295 177.602 176.300 0.012 0.000 1.110 286 R CA 1.524 57.637 56.100 0.020 0.000 0.973 286 R CB 0.140 30.459 30.300 0.032 0.000 0.869 286 R HN 0.218 nan 8.270 nan 0.000 0.440 287 D N 0.846 121.271 120.400 0.042 0.000 2.084 287 D HA -0.181 4.460 4.640 0.002 0.000 0.194 287 D C 1.835 178.009 176.300 -0.209 0.000 0.990 287 D CA 0.897 54.921 54.000 0.040 0.000 0.826 287 D CB -0.316 40.676 40.800 0.321 0.000 0.971 287 D HN 0.173 nan 8.370 nan 0.000 0.453 288 L N 1.076 121.944 121.223 -0.592 0.000 2.191 288 L HA -0.101 4.240 4.340 0.002 0.000 0.212 288 L C 2.191 178.910 176.870 -0.252 0.000 1.103 288 L CA 1.466 55.865 54.840 -0.735 0.000 0.769 288 L CB -0.365 41.201 42.059 -0.822 0.000 0.908 288 L HN -0.117 nan 8.230 nan 0.000 0.438 289 R N -0.547 119.872 120.500 -0.135 0.000 2.057 289 R HA -0.127 4.214 4.340 0.002 0.000 0.229 289 R C 2.145 178.455 176.300 0.017 0.000 1.136 289 R CA 1.647 57.726 56.100 -0.035 0.000 0.952 289 R CB -0.127 30.166 30.300 -0.012 0.000 0.848 289 R HN 0.498 nan 8.270 nan 0.000 0.430 290 E N -0.729 119.485 120.200 0.024 0.000 2.051 290 E HA -0.155 4.196 4.350 0.002 0.000 0.192 290 E C 1.874 178.552 176.600 0.130 0.000 0.991 290 E CA 1.847 58.292 56.400 0.075 0.000 0.799 290 E CB -0.095 29.646 29.700 0.069 0.000 0.748 290 E HN 0.334 nan 8.360 nan 0.000 0.449 291 T N 0.589 115.201 114.554 0.097 0.000 2.833 291 T HA -0.101 4.250 4.350 0.002 0.000 0.269 291 T C 2.109 177.008 174.700 0.330 0.000 1.054 291 T CA 1.153 63.369 62.100 0.193 0.000 1.135 291 T CB -0.115 68.816 68.868 0.106 0.000 0.869 291 T HN 0.034 nan 8.240 nan 0.000 0.466 292 S N 0.994 116.807 115.700 0.187 0.000 2.368 292 S HA -0.034 4.437 4.470 0.002 0.000 0.224 292 S C 2.160 176.902 174.600 0.237 0.000 1.029 292 S CA 0.835 59.164 58.200 0.216 0.000 0.988 292 S CB -0.163 63.100 63.200 0.106 0.000 0.838 292 S HN 0.429 nan 8.310 nan 0.000 0.462 293 R N -0.397 120.219 120.500 0.192 0.000 2.105 293 R HA -0.157 4.184 4.340 0.002 0.000 0.239 293 R C 2.070 178.502 176.300 0.221 0.000 1.135 293 R CA 1.684 57.882 56.100 0.162 0.000 0.967 293 R CB -0.265 30.118 30.300 0.138 0.000 0.861 293 R HN 0.586 nan 8.270 nan 0.000 0.442 294 W N 0.196 121.573 121.300 0.127 0.000 2.408 294 W HA -0.179 4.482 4.660 0.002 0.000 0.311 294 W C 1.964 178.618 176.519 0.224 0.000 1.190 294 W CA 0.826 58.267 57.345 0.160 0.000 1.321 294 W CB -0.630 28.937 29.460 0.178 0.000 1.143 294 W HN 0.135 nan 8.180 nan 0.000 0.501 295 W N 1.648 122.913 121.300 -0.058 0.000 2.335 295 W HA -0.285 4.376 4.660 0.002 0.000 0.311 295 W C 2.209 178.525 176.519 -0.337 0.000 1.213 295 W CA 1.791 58.904 57.345 -0.386 0.000 1.274 295 W CB -0.292 29.129 29.460 -0.066 0.000 1.148 295 W HN -0.108 nan 8.180 nan 0.000 0.498 296 R N -0.277 120.168 120.500 -0.092 0.000 2.115 296 R HA -0.167 4.174 4.340 0.002 0.000 0.230 296 R C 2.141 178.301 176.300 -0.234 0.000 1.111 296 R CA 1.266 57.248 56.100 -0.198 0.000 0.976 296 R CB -0.499 29.766 30.300 -0.058 0.000 0.870 296 R HN 0.004 nan 8.270 nan 0.000 0.445 297 R N 0.521 120.908 120.500 -0.188 0.000 2.115 297 R HA -0.067 4.275 4.340 0.002 0.000 0.230 297 R C 1.915 178.059 176.300 -0.261 0.000 1.111 297 R CA 1.033 57.034 56.100 -0.165 0.000 0.976 297 R CB -0.179 30.074 30.300 -0.079 0.000 0.870 297 R HN 0.025 nan 8.270 nan 0.000 0.445 298 V N -0.840 118.807 119.914 -0.445 0.000 2.591 298 V HA 0.093 4.214 4.120 0.002 0.000 0.249 298 V C 1.552 177.365 176.094 -0.468 0.000 1.053 298 V CA 1.228 63.242 62.300 -0.477 0.000 1.068 298 V CB -0.720 30.680 31.823 -0.705 0.000 0.689 298 V HN 0.611 nan 8.190 nan 0.000 0.462 299 G N 0.501 108.955 108.800 -0.576 0.000 2.269 299 G HA2 -0.340 3.621 3.960 0.002 0.000 0.277 299 G HA3 -0.340 3.621 3.960 0.002 0.000 0.277 299 G C 0.838 175.429 174.900 -0.514 0.000 1.008 299 G CA 0.789 45.587 45.100 -0.503 0.000 0.774 299 G HN 0.423 nan 8.290 nan 0.000 0.511 300 L N 0.142 120.961 121.223 -0.673 0.000 2.131 300 L HA 0.248 4.589 4.340 0.002 0.000 0.210 300 L C 2.867 179.435 176.870 -0.503 0.000 1.092 300 L CA 3.054 57.582 54.840 -0.521 0.000 0.759 300 L CB -0.721 41.022 42.059 -0.526 0.000 0.903 300 L HN 0.534 nan 8.230 nan 0.000 0.435 301 A N -1.637 120.797 122.820 -0.643 0.000 1.968 301 A HA -0.135 4.186 4.320 0.002 0.000 0.217 301 A C 2.239 179.631 177.584 -0.319 0.000 1.169 301 A CA 1.648 53.426 52.037 -0.432 0.000 0.638 301 A CB -1.017 17.771 19.000 -0.353 0.000 0.812 301 A HN 0.562 nan 8.150 nan 0.000 0.446 302 T N -3.662 110.707 114.554 -0.307 0.000 3.113 302 T HA 0.093 4.444 4.350 0.002 0.000 0.256 302 T C 1.537 176.167 174.700 -0.117 0.000 1.131 302 T CA 1.320 63.314 62.100 -0.177 0.000 1.074 302 T CB 0.016 68.784 68.868 -0.166 0.000 0.944 302 T HN 0.211 nan 8.240 nan 0.000 0.516 303 K N 0.388 120.662 120.400 -0.211 0.000 2.308 303 K HA 0.421 4.742 4.320 0.002 0.000 0.197 303 K C 0.433 176.790 176.600 -0.406 0.000 1.049 303 K CA 0.245 56.403 56.287 -0.214 0.000 0.991 303 K CB 0.181 32.564 32.500 -0.194 0.000 0.836 303 K HN 0.385 nan 8.250 nan 0.000 0.500 304 L N 2.296 123.247 121.223 -0.454 0.000 2.314 304 L HA 0.206 4.547 4.340 0.002 0.000 0.275 304 L C 0.256 176.733 176.870 -0.655 0.000 1.068 304 L CA -0.548 53.870 54.840 -0.704 0.000 0.894 304 L CB 0.676 42.159 42.059 -0.960 0.000 1.275 304 L HN 0.229 nan 8.230 nan 0.000 0.432 305 H N 2.590 121.482 119.070 -0.296 0.000 2.518 305 H HA -0.201 4.356 4.556 0.002 0.000 0.294 305 H C 1.721 176.950 175.328 -0.165 0.000 1.083 305 H CA 1.468 57.410 56.048 -0.178 0.000 1.264 305 H CB -0.291 29.441 29.762 -0.050 0.000 1.370 305 H HN 0.738 nan 8.280 nan 0.000 0.560 306 F N 0.296 120.156 119.950 -0.150 0.000 2.446 306 F HA 0.517 5.045 4.527 0.002 0.000 0.292 306 F C 1.398 177.125 175.800 -0.121 0.000 1.096 306 F CA -0.318 57.595 58.000 -0.145 0.000 1.438 306 F CB -0.390 38.421 39.000 -0.315 0.000 1.107 306 F HN 0.020 nan 8.300 nan 0.000 0.546 307 A N 3.021 125.219 122.820 -1.036 0.000 2.498 307 A HA 0.375 4.697 4.320 0.002 0.000 0.239 307 A C 0.410 177.859 177.584 -0.224 0.000 1.068 307 A CA -0.550 51.133 52.037 -0.589 0.000 0.766 307 A CB -0.017 18.547 19.000 -0.727 0.000 1.003 307 A HN 0.579 nan 8.150 nan 0.000 0.497 308 R N 2.314 122.766 120.500 -0.080 0.000 2.407 308 R HA 0.418 4.759 4.340 0.002 0.000 0.303 308 R C -1.270 175.041 176.300 0.020 0.000 0.981 308 R CA -0.769 55.318 56.100 -0.021 0.000 0.905 308 R CB 1.240 31.546 30.300 0.009 0.000 1.099 308 R HN 0.594 nan 8.270 nan 0.000 0.459 309 D N 2.437 122.864 120.400 0.045 0.000 2.316 309 D HA 0.099 4.740 4.640 0.002 0.000 0.245 309 D C -0.267 176.080 176.300 0.078 0.000 1.171 309 D CA -0.230 53.856 54.000 0.144 0.000 0.856 309 D CB 0.814 41.715 40.800 0.168 0.000 1.090 309 D HN 0.467 nan 8.370 nan 0.000 0.476 310 R N 4.510 125.028 120.500 0.030 0.000 2.698 310 R HA 0.062 4.403 4.340 0.002 0.000 0.422 310 R C 1.098 177.309 176.300 -0.148 0.000 1.073 310 R CA -0.486 55.570 56.100 -0.073 0.000 1.054 310 R CB 0.246 30.463 30.300 -0.138 0.000 1.373 310 R HN 0.490 nan 8.270 nan 0.000 0.593 311 L N 0.773 121.894 121.223 -0.169 0.000 2.027 311 L HA -0.107 4.234 4.340 0.002 0.000 0.206 311 L C 1.593 178.434 176.870 -0.048 0.000 1.074 311 L CA 1.890 56.566 54.840 -0.274 0.000 0.745 311 L CB -0.142 41.649 42.059 -0.447 0.000 0.898 311 L HN 0.107 nan 8.230 nan 0.000 0.433 312 I N 0.477 121.054 120.570 0.011 0.000 2.179 312 I HA -0.266 3.905 4.170 0.002 0.000 0.242 312 I C 2.471 178.669 176.117 0.136 0.000 1.088 312 I CA 1.236 62.587 61.300 0.085 0.000 1.357 312 I CB -1.286 36.748 38.000 0.057 0.000 1.051 312 I HN 0.250 nan 8.210 nan 0.000 0.409 313 E N 0.850 121.081 120.200 0.052 0.000 2.153 313 E HA -0.125 4.226 4.350 0.002 0.000 0.194 313 E C 2.382 179.051 176.600 0.115 0.000 0.988 313 E CA 1.256 57.693 56.400 0.061 0.000 0.811 313 E CB -0.216 29.451 29.700 -0.055 0.000 0.746 313 E HN 0.274 nan 8.360 nan 0.000 0.466 314 S N -0.249 115.455 115.700 0.006 0.000 2.402 314 S HA -0.075 4.396 4.470 0.002 0.000 0.229 314 S C 1.499 176.234 174.600 0.225 0.000 1.021 314 S CA 0.546 58.763 58.200 0.028 0.000 0.974 314 S CB -0.213 62.950 63.200 -0.062 0.000 0.800 314 S HN 0.268 nan 8.310 nan 0.000 0.484 315 F N 0.848 120.852 119.950 0.090 0.000 2.206 315 F HA -0.006 4.522 4.527 0.002 0.000 0.298 315 F C 1.997 177.857 175.800 0.099 0.000 1.090 315 F CA 0.796 58.844 58.000 0.081 0.000 1.323 315 F CB -0.451 38.577 39.000 0.046 0.000 1.028 315 F HN 0.264 nan 8.300 nan 0.000 0.492 316 Y N -0.062 120.319 120.300 0.135 0.000 2.165 316 Y HA -0.300 4.251 4.550 0.002 0.000 0.286 316 Y C 2.451 178.353 175.900 0.003 0.000 1.155 316 Y CA 2.168 60.300 58.100 0.052 0.000 1.164 316 Y CB -0.950 37.574 38.460 0.107 0.000 0.978 316 Y HN 0.369 nan 8.280 nan 0.000 0.513 317 W N 1.228 122.477 121.300 -0.086 0.000 2.354 317 W HA -0.257 4.405 4.660 0.002 0.000 0.315 317 W C 2.366 178.734 176.519 -0.251 0.000 1.206 317 W CA 2.555 59.813 57.345 -0.144 0.000 1.290 317 W CB -0.891 28.632 29.460 0.104 0.000 1.152 317 W HN 0.246 nan 8.180 nan 0.000 0.489 318 A N 0.640 123.463 122.820 0.005 0.000 1.917 318 A HA -0.222 4.099 4.320 0.002 0.000 0.219 318 A C 2.143 179.460 177.584 -0.445 0.000 1.182 318 A CA 2.505 54.413 52.037 -0.214 0.000 0.633 318 A CB -1.224 17.595 19.000 -0.301 0.000 0.819 318 A HN 0.167 nan 8.150 nan 0.000 0.448 319 V N -0.218 119.322 119.914 -0.623 0.000 2.392 319 V HA -0.225 3.896 4.120 0.002 0.000 0.249 319 V C 2.731 178.589 176.094 -0.393 0.000 1.059 319 V CA 2.039 63.955 62.300 -0.641 0.000 1.051 319 V CB -1.270 30.084 31.823 -0.783 0.000 0.658 319 V HN 0.651 nan 8.190 nan 0.000 0.455 320 G N -0.793 107.725 108.800 -0.470 0.000 2.443 320 G HA2 -0.142 3.820 3.960 0.002 0.000 0.219 320 G HA3 -0.142 3.820 3.960 0.002 0.000 0.219 320 G C 1.533 176.237 174.900 -0.327 0.000 1.131 320 G CA 1.092 45.946 45.100 -0.410 0.000 0.775 320 G HN 0.438 nan 8.290 nan 0.000 0.547 321 V N -0.013 119.673 119.914 -0.380 0.000 2.788 321 V HA 0.420 4.542 4.120 0.002 0.000 0.251 321 V C 1.309 177.269 176.094 -0.223 0.000 1.068 321 V CA 1.398 63.509 62.300 -0.314 0.000 1.090 321 V CB 0.034 31.670 31.823 -0.313 0.000 0.710 321 V HN 0.459 nan 8.190 nan 0.000 0.467 322 A N -0.235 122.472 122.820 -0.188 0.000 3.005 322 A HA 0.513 4.834 4.320 0.002 0.000 0.308 322 A C 0.221 177.764 177.584 -0.068 0.000 1.173 322 A CA -0.488 51.462 52.037 -0.145 0.000 0.796 322 A CB 0.041 18.929 19.000 -0.187 0.000 1.325 322 A HN 0.341 nan 8.150 nan 0.000 0.467 323 F N 0.419 120.337 119.950 -0.053 0.000 2.367 323 F HA 0.287 4.815 4.527 0.002 0.000 0.298 323 F C 0.551 176.357 175.800 0.010 0.000 1.094 323 F CA 0.011 58.009 58.000 -0.003 0.000 1.409 323 F CB -0.431 38.548 39.000 -0.034 0.000 1.064 323 F HN 0.362 nan 8.300 nan 0.000 0.528 324 E N 3.917 123.580 120.200 -0.895 0.000 2.558 324 E HA -0.025 4.326 4.350 0.002 0.000 0.255 324 E C -1.371 175.020 176.600 -0.349 0.000 0.968 324 E CA -0.977 54.946 56.400 -0.796 0.000 0.939 324 E CB 0.105 29.278 29.700 -0.877 0.000 0.921 324 E HN 0.139 nan 8.360 nan 0.000 0.477 325 P HA -0.272 nan 4.420 nan 0.000 0.218 325 P C 0.727 178.000 177.300 -0.046 0.000 1.146 325 P CA 1.322 64.373 63.100 -0.082 0.000 0.813 325 P CB 0.272 31.933 31.700 -0.064 0.000 0.778 326 Q N -1.412 118.281 119.800 -0.178 0.000 2.482 326 Q HA -0.107 4.234 4.340 0.002 0.000 0.209 326 Q C 0.305 176.208 176.000 -0.162 0.000 0.961 326 Q CA 0.846 56.546 55.803 -0.171 0.000 0.945 326 Q CB -0.686 27.906 28.738 -0.243 0.000 1.012 326 Q HN 0.306 nan 8.270 nan 0.000 0.515 327 Y N 1.237 121.535 120.300 -0.003 0.000 2.746 327 Y HA 0.335 4.886 4.550 0.002 0.000 0.312 327 Y C 1.677 177.589 175.900 0.021 0.000 1.117 327 Y CA -0.999 57.090 58.100 -0.017 0.000 1.324 327 Y CB 0.318 38.724 38.460 -0.089 0.000 1.173 327 Y HN 0.049 nan 8.280 nan 0.000 0.529 328 S N -0.072 115.744 115.700 0.193 0.000 2.387 328 S HA -0.205 4.266 4.470 0.002 0.000 0.230 328 S C 1.489 176.186 174.600 0.162 0.000 1.035 328 S CA 1.802 60.117 58.200 0.191 0.000 1.014 328 S CB -0.004 63.303 63.200 0.178 0.000 0.836 328 S HN 0.535 nan 8.310 nan 0.000 0.466 329 D N 0.580 121.067 120.400 0.145 0.000 2.097 329 D HA -0.091 4.550 4.640 0.002 0.000 0.195 329 D C 2.180 178.542 176.300 0.102 0.000 0.989 329 D CA 0.965 55.035 54.000 0.116 0.000 0.827 329 D CB -0.804 40.062 40.800 0.109 0.000 0.966 329 D HN 0.422 nan 8.370 nan 0.000 0.456 330 C N 0.997 120.352 119.300 0.091 0.000 2.413 330 C HA -0.090 4.371 4.460 0.002 0.000 0.276 330 C C 2.716 177.718 174.990 0.019 0.000 1.236 330 C CA 0.875 59.915 59.018 0.037 0.000 1.735 330 C CB -0.899 26.798 27.740 -0.073 0.000 2.031 330 C HN 0.215 nan 8.230 nan 0.000 0.474 331 R N 0.678 121.181 120.500 0.005 0.000 2.083 331 R HA -0.103 4.239 4.340 0.002 0.000 0.237 331 R C 2.149 178.454 176.300 0.009 0.000 1.137 331 R CA 2.252 58.292 56.100 -0.100 0.000 0.951 331 R CB -0.260 29.962 30.300 -0.131 0.000 0.851 331 R HN 0.637 nan 8.270 nan 0.000 0.434 332 N N -0.486 118.293 118.700 0.133 0.000 2.171 332 N HA -0.121 4.620 4.740 0.002 0.000 0.184 332 N C 1.750 177.288 175.510 0.047 0.000 1.021 332 N CA 1.207 54.348 53.050 0.151 0.000 0.854 332 N CB -0.426 38.128 38.487 0.111 0.000 0.994 332 N HN 0.089 nan 8.380 nan 0.000 0.426 333 S N 0.606 116.335 115.700 0.049 0.000 2.359 333 S HA -0.068 4.403 4.470 0.002 0.000 0.224 333 S C 2.109 176.742 174.600 0.054 0.000 1.035 333 S CA 0.933 59.164 58.200 0.052 0.000 1.018 333 S CB -0.215 63.074 63.200 0.148 0.000 0.876 333 S HN 0.060 nan 8.310 nan 0.000 0.448 334 V N 1.868 121.832 119.914 0.083 0.000 2.427 334 V HA -0.119 4.002 4.120 0.002 0.000 0.248 334 V C 2.688 178.873 176.094 0.151 0.000 1.051 334 V CA 1.662 64.028 62.300 0.110 0.000 1.048 334 V CB -1.227 30.666 31.823 0.117 0.000 0.666 334 V HN 0.577 nan 8.190 nan 0.000 0.456 335 A N -0.040 122.859 122.820 0.131 0.000 1.877 335 A HA -0.240 4.081 4.320 0.002 0.000 0.216 335 A C 2.292 179.944 177.584 0.114 0.000 1.186 335 A CA 1.980 54.116 52.037 0.165 0.000 0.620 335 A CB -0.431 18.724 19.000 0.258 0.000 0.822 335 A HN 0.540 nan 8.150 nan 0.000 0.443 336 K N -1.600 118.836 120.400 0.060 0.000 2.057 336 K HA -0.124 4.197 4.320 0.002 0.000 0.207 336 K C 2.021 178.798 176.600 0.295 0.000 1.049 336 K CA 1.624 57.960 56.287 0.081 0.000 0.931 336 K CB -0.266 32.102 32.500 -0.220 0.000 0.714 336 K HN 0.353 nan 8.250 nan 0.000 0.440 337 M N -0.007 119.721 119.600 0.213 0.000 2.099 337 M HA -0.099 4.382 4.480 0.002 0.000 0.262 337 M C 1.839 178.394 176.300 0.426 0.000 1.067 337 M CA 1.343 56.826 55.300 0.304 0.000 1.124 337 M CB -0.357 32.240 32.600 -0.005 0.000 1.353 337 M HN 0.019 nan 8.290 nan 0.000 0.410 338 F N -0.180 119.836 119.950 0.109 0.000 2.293 338 F HA -0.095 4.433 4.527 0.002 0.000 0.300 338 F C 2.390 178.223 175.800 0.056 0.000 1.086 338 F CA 0.945 58.971 58.000 0.043 0.000 1.375 338 F CB -0.803 38.130 39.000 -0.112 0.000 1.045 338 F HN 0.088 nan 8.300 nan 0.000 0.516 339 S N -0.504 115.294 115.700 0.163 0.000 2.402 339 S HA -0.132 4.339 4.470 0.002 0.000 0.229 339 S C 1.907 176.533 174.600 0.043 0.000 1.021 339 S CA 0.797 58.903 58.200 -0.156 0.000 0.974 339 S CB -0.408 62.337 63.200 -0.758 0.000 0.800 339 S HN 0.276 nan 8.310 nan 0.000 0.484 340 F N 1.150 121.282 119.950 0.304 0.000 2.187 340 F HA 0.023 4.551 4.527 0.002 0.000 0.295 340 F C 2.272 178.373 175.800 0.501 0.000 1.091 340 F CA 0.385 58.637 58.000 0.420 0.000 1.308 340 F CB -0.662 38.572 39.000 0.390 0.000 1.030 340 F HN -0.040 nan 8.300 nan 0.000 0.487 341 V N -0.507 119.877 119.914 0.782 0.000 2.392 341 V HA -0.328 3.794 4.120 0.002 0.000 0.249 341 V C 2.218 178.615 176.094 0.505 0.000 1.059 341 V CA 2.356 65.069 62.300 0.688 0.000 1.051 341 V CB -1.214 30.944 31.823 0.558 0.000 0.658 341 V HN 0.373 nan 8.190 nan 0.000 0.455 342 T N 0.418 115.203 114.554 0.384 0.000 2.674 342 T HA -0.128 4.223 4.350 0.002 0.000 0.265 342 T C 1.829 176.651 174.700 0.204 0.000 1.039 342 T CA 1.930 64.161 62.100 0.218 0.000 1.150 342 T CB -0.276 68.639 68.868 0.078 0.000 0.864 342 T HN 0.361 nan 8.240 nan 0.000 0.427 343 I N 0.572 121.282 120.570 0.234 0.000 2.179 343 I HA -0.135 4.036 4.170 0.002 0.000 0.242 343 I C 2.289 178.561 176.117 0.257 0.000 1.088 343 I CA 1.432 62.852 61.300 0.201 0.000 1.357 343 I CB -0.469 37.638 38.000 0.180 0.000 1.051 343 I HN 0.206 nan 8.210 nan 0.000 0.409 344 I N 0.695 121.464 120.570 0.332 0.000 2.394 344 I HA -0.288 3.883 4.170 0.002 0.000 0.251 344 I C 2.191 178.393 176.117 0.142 0.000 1.136 344 I CA 1.392 62.879 61.300 0.312 0.000 1.425 344 I CB -0.414 37.919 38.000 0.554 0.000 1.079 344 I HN 0.262 nan 8.210 nan 0.000 0.425 345 D N 1.090 121.499 120.400 0.014 0.000 2.117 345 D HA -0.221 4.420 4.640 0.002 0.000 0.197 345 D C 1.783 178.002 176.300 -0.134 0.000 0.987 345 D CA 1.430 55.212 54.000 -0.364 0.000 0.829 345 D CB -0.016 40.721 40.800 -0.105 0.000 0.961 345 D HN 0.199 nan 8.370 nan 0.000 0.460 346 D N -0.168 120.263 120.400 0.051 0.000 2.117 346 D HA -0.129 4.512 4.640 0.002 0.000 0.197 346 D C 2.288 178.636 176.300 0.081 0.000 0.987 346 D CA 0.658 54.729 54.000 0.118 0.000 0.829 346 D CB -0.177 40.780 40.800 0.261 0.000 0.961 346 D HN 0.392 nan 8.370 nan 0.000 0.460 347 I N -0.157 120.469 120.570 0.092 0.000 2.226 347 I HA -0.288 3.884 4.170 0.002 0.000 0.245 347 I C 2.141 178.177 176.117 -0.135 0.000 1.100 347 I CA 1.090 62.361 61.300 -0.048 0.000 1.374 347 I CB -0.256 37.711 38.000 -0.056 0.000 1.057 347 I HN 0.002 nan 8.210 nan 0.000 0.413 348 Y N 0.239 120.442 120.300 -0.161 0.000 2.286 348 Y HA -0.207 4.344 4.550 0.002 0.000 0.293 348 Y C 2.309 178.141 175.900 -0.114 0.000 1.124 348 Y CA 1.501 59.514 58.100 -0.145 0.000 1.178 348 Y CB -0.201 38.124 38.460 -0.225 0.000 1.010 348 Y HN 0.154 nan 8.280 nan 0.000 0.536 349 D N -0.633 119.772 120.400 0.010 0.000 2.123 349 D HA -0.126 4.515 4.640 0.002 0.000 0.200 349 D C 1.723 178.035 176.300 0.019 0.000 0.976 349 D CA 1.829 55.841 54.000 0.019 0.000 0.831 349 D CB 0.215 41.017 40.800 0.002 0.000 0.974 349 D HN 0.185 nan 8.370 nan 0.000 0.469 350 V N -3.315 116.600 119.914 0.001 0.000 3.245 350 V HA 0.252 4.373 4.120 0.002 0.000 0.246 350 V C 1.748 177.797 176.094 -0.074 0.000 1.487 350 V CA -0.238 62.055 62.300 -0.012 0.000 1.154 350 V CB -0.623 31.217 31.823 0.028 0.000 0.971 350 V HN 0.101 nan 8.190 nan 0.000 0.443 351 Y N 3.038 123.162 120.300 -0.293 0.000 2.201 351 Y HA 0.629 5.180 4.550 0.002 0.000 0.292 351 Y C 1.804 177.455 175.900 -0.414 0.000 1.119 351 Y CA 1.023 58.823 58.100 -0.500 0.000 1.127 351 Y CB -0.371 37.439 38.460 -1.083 0.000 1.019 351 Y HN 0.380 nan 8.280 nan 0.000 0.514 352 G N 0.496 109.183 108.800 -0.188 0.000 2.467 352 G HA2 0.364 4.325 3.960 0.002 0.000 0.257 352 G HA3 0.364 4.325 3.960 0.002 0.000 0.257 352 G C -0.483 174.302 174.900 -0.191 0.000 1.227 352 G CA 0.071 45.080 45.100 -0.150 0.000 0.835 352 G HN 0.318 nan 8.290 nan 0.000 0.556 353 T N 0.195 114.646 114.554 -0.172 0.000 2.922 353 T HA 0.322 4.673 4.350 0.002 0.000 0.285 353 T C 1.747 176.347 174.700 -0.167 0.000 1.005 353 T CA -0.853 61.138 62.100 -0.182 0.000 1.061 353 T CB 1.320 70.086 68.868 -0.170 0.000 1.007 353 T HN 0.254 nan 8.240 nan 0.000 0.502 354 L N 0.653 121.757 121.223 -0.198 0.000 2.034 354 L HA -0.195 4.146 4.340 0.002 0.000 0.217 354 L C 2.469 179.275 176.870 -0.107 0.000 1.077 354 L CA 1.757 56.505 54.840 -0.155 0.000 0.769 354 L CB -0.632 41.298 42.059 -0.215 0.000 0.890 354 L HN 0.727 nan 8.230 nan 0.000 0.435 355 D N -0.267 120.066 120.400 -0.112 0.000 2.149 355 D HA -0.186 4.455 4.640 0.002 0.000 0.198 355 D C 2.122 178.384 176.300 -0.062 0.000 0.990 355 D CA 1.267 55.222 54.000 -0.074 0.000 0.839 355 D CB -0.054 40.702 40.800 -0.072 0.000 0.948 355 D HN 0.505 nan 8.370 nan 0.000 0.460 356 E N 0.195 120.349 120.200 -0.077 0.000 2.072 356 E HA -0.038 4.313 4.350 0.002 0.000 0.190 356 E C 2.467 179.020 176.600 -0.078 0.000 0.982 356 E CA 0.235 56.593 56.400 -0.070 0.000 0.803 356 E CB -0.037 29.634 29.700 -0.047 0.000 0.755 356 E HN 0.250 nan 8.360 nan 0.000 0.453 357 L N 0.981 122.123 121.223 -0.134 0.000 2.079 357 L HA -0.216 4.125 4.340 0.002 0.000 0.210 357 L C 2.529 179.428 176.870 0.049 0.000 1.081 357 L CA 1.124 55.850 54.840 -0.190 0.000 0.752 357 L CB -0.359 41.566 42.059 -0.225 0.000 0.896 357 L HN 0.107 nan 8.230 nan 0.000 0.433 358 E N 0.573 120.794 120.200 0.036 0.000 2.085 358 E HA -0.199 4.152 4.350 0.002 0.000 0.194 358 E C 2.232 178.868 176.600 0.059 0.000 0.994 358 E CA 1.221 57.659 56.400 0.063 0.000 0.801 358 E CB -0.202 29.510 29.700 0.019 0.000 0.743 358 E HN 0.349 nan 8.360 nan 0.000 0.453 359 L N -0.676 120.560 121.223 0.022 0.000 2.046 359 L HA -0.144 4.197 4.340 0.002 0.000 0.208 359 L C 2.254 179.124 176.870 0.001 0.000 1.077 359 L CA 1.160 55.991 54.840 -0.016 0.000 0.747 359 L CB -0.426 41.602 42.059 -0.051 0.000 0.896 359 L HN 0.188 nan 8.230 nan 0.000 0.432 360 F N 0.628 120.537 119.950 -0.069 0.000 2.146 360 F HA -0.205 4.323 4.527 0.002 0.000 0.298 360 F C 2.518 178.408 175.800 0.149 0.000 1.096 360 F CA 1.853 59.852 58.000 -0.002 0.000 1.275 360 F CB -0.298 38.704 39.000 0.003 0.000 1.008 360 F HN -0.071 nan 8.300 nan 0.000 0.480 361 T N -0.645 114.136 114.554 0.379 0.000 2.788 361 T HA -0.236 4.115 4.350 0.002 0.000 0.268 361 T C 1.428 176.213 174.700 0.142 0.000 1.044 361 T CA 1.785 64.087 62.100 0.338 0.000 1.139 361 T CB -0.453 68.620 68.868 0.342 0.000 0.867 361 T HN 0.373 nan 8.240 nan 0.000 0.454 362 D N 0.877 121.314 120.400 0.062 0.000 2.194 362 D HA 0.091 4.732 4.640 0.002 0.000 0.204 362 D C 2.208 178.476 176.300 -0.053 0.000 0.964 362 D CA 0.904 54.910 54.000 0.010 0.000 0.846 362 D CB -0.252 40.539 40.800 -0.015 0.000 0.962 362 D HN 0.310 nan 8.370 nan 0.000 0.490 363 A N -0.051 122.655 122.820 -0.190 0.000 1.902 363 A HA -0.108 4.213 4.320 0.002 0.000 0.217 363 A C 2.423 179.956 177.584 -0.085 0.000 1.181 363 A CA 1.597 53.389 52.037 -0.409 0.000 0.623 363 A CB -0.830 17.598 19.000 -0.954 0.000 0.818 363 A HN 0.211 nan 8.150 nan 0.000 0.443 364 V N 0.138 120.093 119.914 0.068 0.000 2.427 364 V HA -0.242 3.880 4.120 0.002 0.000 0.248 364 V C 2.319 178.654 176.094 0.402 0.000 1.051 364 V CA 2.168 64.716 62.300 0.413 0.000 1.048 364 V CB -0.869 31.159 31.823 0.342 0.000 0.666 364 V HN 0.638 nan 8.190 nan 0.000 0.456 365 E N -0.065 120.270 120.200 0.226 0.000 2.150 365 E HA -0.166 4.186 4.350 0.002 0.000 0.193 365 E C 2.422 179.135 176.600 0.189 0.000 0.985 365 E CA 0.907 57.414 56.400 0.179 0.000 0.814 365 E CB -0.113 29.652 29.700 0.109 0.000 0.752 365 E HN 0.548 nan 8.360 nan 0.000 0.466 366 R N -0.384 120.221 120.500 0.175 0.000 2.161 366 R HA -0.024 4.317 4.340 0.002 0.000 0.213 366 R C 0.457 176.943 176.300 0.309 0.000 1.055 366 R CA 0.121 56.317 56.100 0.160 0.000 0.996 366 R CB 0.070 30.402 30.300 0.054 0.000 0.901 366 R HN 0.287 nan 8.270 nan 0.000 0.456 367 W N 2.695 124.091 121.300 0.159 0.000 6.351 367 W HA -0.242 4.420 4.660 0.002 0.000 0.403 367 W C -1.249 175.457 176.519 0.312 0.000 1.540 367 W CA 0.597 58.132 57.345 0.316 0.000 1.055 367 W CB -1.051 28.546 29.460 0.228 0.000 2.721 367 W HN 0.105 nan 8.180 nan 0.000 1.542 368 D N 1.047 121.484 120.400 0.063 0.000 2.440 368 D HA 0.255 4.897 4.640 0.002 0.000 0.239 368 D C 0.517 176.656 176.300 -0.268 0.000 1.084 368 D CA 0.029 53.995 54.000 -0.057 0.000 0.843 368 D CB 1.734 42.513 40.800 -0.035 0.000 1.097 368 D HN -0.064 nan 8.370 nan 0.000 0.531 369 V N 4.746 124.422 119.914 -0.396 0.000 2.358 369 V HA -0.163 3.958 4.120 0.002 0.000 0.246 369 V C 1.396 177.339 176.094 -0.253 0.000 1.047 369 V CA 1.504 63.503 62.300 -0.501 0.000 1.035 369 V CB -0.424 31.111 31.823 -0.479 0.000 0.658 369 V HN 0.575 nan 8.190 nan 0.000 0.452 370 N N 1.057 119.664 118.700 -0.155 0.000 2.651 370 N HA -0.051 4.690 4.740 0.002 0.000 0.193 370 N C 0.703 176.138 175.510 -0.126 0.000 1.149 370 N CA 1.165 54.150 53.050 -0.109 0.000 0.933 370 N CB -0.164 38.284 38.487 -0.064 0.000 0.974 370 N HN 0.602 nan 8.380 nan 0.000 0.448 371 A N 0.368 123.083 122.820 -0.176 0.000 3.129 371 A HA 0.309 4.630 4.320 0.002 0.000 0.282 371 A C 1.099 178.516 177.584 -0.279 0.000 0.948 371 A CA -0.543 51.380 52.037 -0.189 0.000 1.027 371 A CB -0.409 18.492 19.000 -0.165 0.000 1.123 371 A HN 0.291 nan 8.150 nan 0.000 0.485 372 I N -4.057 116.355 120.570 -0.264 0.000 4.070 372 I HA 0.186 4.357 4.170 0.002 0.000 0.328 372 I C 0.556 176.548 176.117 -0.208 0.000 1.298 372 I CA 0.032 61.144 61.300 -0.313 0.000 1.173 372 I CB 0.032 37.892 38.000 -0.233 0.000 1.051 372 I HN 0.142 nan 8.210 nan 0.000 0.409 373 N N 2.262 120.870 118.700 -0.155 0.000 2.575 373 N HA -0.064 4.677 4.740 0.002 0.000 0.192 373 N C 0.337 175.781 175.510 -0.111 0.000 1.200 373 N CA 0.650 53.633 53.050 -0.112 0.000 0.897 373 N CB -0.031 38.404 38.487 -0.086 0.000 0.990 373 N HN 0.553 nan 8.380 nan 0.000 0.449 374 D N 0.029 120.343 120.400 -0.143 0.000 2.366 374 D HA 0.101 4.742 4.640 0.002 0.000 0.205 374 D C 0.772 176.995 176.300 -0.129 0.000 1.022 374 D CA 0.089 54.013 54.000 -0.126 0.000 0.868 374 D CB 0.831 41.549 40.800 -0.136 0.000 0.953 374 D HN 0.197 nan 8.370 nan 0.000 0.514 375 L N 3.028 124.154 121.223 -0.160 0.000 2.371 375 L HA 0.270 4.611 4.340 0.002 0.000 0.272 375 L C -1.920 174.871 176.870 -0.132 0.000 1.124 375 L CA -1.758 52.988 54.840 -0.157 0.000 0.816 375 L CB 0.407 42.352 42.059 -0.190 0.000 1.129 375 L HN -0.205 nan 8.230 nan 0.000 0.448 376 P HA -0.008 nan 4.420 nan 0.000 0.270 376 P C -0.290 176.945 177.300 -0.108 0.000 1.223 376 P CA -0.306 62.732 63.100 -0.103 0.000 0.785 376 P CB 0.790 32.441 31.700 -0.081 0.000 0.923 377 D N 0.760 121.157 120.400 -0.004 0.000 2.133 377 D HA -0.230 4.411 4.640 0.002 0.000 0.192 377 D C 1.844 178.176 176.300 0.053 0.000 1.001 377 D CA 1.943 55.959 54.000 0.026 0.000 0.844 377 D CB -0.996 39.842 40.800 0.062 0.000 0.944 377 D HN 0.627 nan 8.370 nan 0.000 0.447 378 Y N -0.228 120.104 120.300 0.053 0.000 2.274 378 Y HA -0.018 4.533 4.550 0.002 0.000 0.290 378 Y C 2.264 178.222 175.900 0.097 0.000 1.145 378 Y CA 0.872 59.011 58.100 0.066 0.000 1.203 378 Y CB -0.622 37.904 38.460 0.110 0.000 0.984 378 Y HN -0.119 nan 8.280 nan 0.000 0.533 379 M N 0.444 119.706 119.600 -0.564 0.000 2.388 379 M HA -0.041 4.440 4.480 0.002 0.000 0.265 379 M C 2.318 178.652 176.300 0.056 0.000 1.088 379 M CA 1.259 56.393 55.300 -0.277 0.000 1.134 379 M CB -0.130 32.258 32.600 -0.352 0.000 1.384 379 M HN 0.245 nan 8.290 nan 0.000 0.447 380 K N 1.135 121.523 120.400 -0.020 0.000 2.057 380 K HA -0.127 4.194 4.320 0.002 0.000 0.207 380 K C 1.911 178.568 176.600 0.095 0.000 1.049 380 K CA 1.028 57.330 56.287 0.025 0.000 0.931 380 K CB -0.013 32.469 32.500 -0.031 0.000 0.714 380 K HN 0.302 nan 8.250 nan 0.000 0.440 381 L N 0.668 121.934 121.223 0.072 0.000 1.994 381 L HA -0.251 4.090 4.340 0.002 0.000 0.208 381 L C 2.657 179.603 176.870 0.126 0.000 1.071 381 L CA 1.633 56.513 54.840 0.068 0.000 0.745 381 L CB -0.531 41.550 42.059 0.036 0.000 0.892 381 L HN 0.488 nan 8.230 nan 0.000 0.431 382 C N -0.353 119.060 119.300 0.188 0.000 2.413 382 C HA -0.273 4.189 4.460 0.002 0.000 0.276 382 C C 2.738 177.948 174.990 0.366 0.000 1.236 382 C CA 1.081 60.275 59.018 0.293 0.000 1.735 382 C CB -1.111 26.822 27.740 0.322 0.000 2.031 382 C HN 0.623 nan 8.230 nan 0.000 0.474 383 F N 0.723 120.814 119.950 0.235 0.000 2.075 383 F HA -0.050 4.478 4.527 0.002 0.000 0.297 383 F C 2.115 177.887 175.800 -0.046 0.000 1.113 383 F CA 1.806 59.850 58.000 0.074 0.000 1.218 383 F CB -0.676 38.266 39.000 -0.096 0.000 0.984 383 F HN 0.171 nan 8.300 nan 0.000 0.472 384 L N -0.127 121.108 121.223 0.021 0.000 2.079 384 L HA -0.249 4.093 4.340 0.002 0.000 0.210 384 L C 2.598 179.429 176.870 -0.064 0.000 1.081 384 L CA 1.504 56.288 54.840 -0.093 0.000 0.752 384 L CB -0.832 41.229 42.059 0.004 0.000 0.896 384 L HN 0.351 nan 8.230 nan 0.000 0.433 385 A N -0.447 122.392 122.820 0.032 0.000 1.873 385 A HA -0.223 4.098 4.320 0.002 0.000 0.215 385 A C 2.224 179.831 177.584 0.038 0.000 1.186 385 A CA 1.438 53.563 52.037 0.146 0.000 0.616 385 A CB -0.700 18.471 19.000 0.286 0.000 0.823 385 A HN 0.465 nan 8.150 nan 0.000 0.442 386 L N -1.890 119.175 121.223 -0.264 0.000 2.056 386 L HA -0.172 4.170 4.340 0.002 0.000 0.207 386 L C 2.490 179.058 176.870 -0.502 0.000 1.078 386 L CA 2.206 56.523 54.840 -0.871 0.000 0.749 386 L CB -0.556 41.037 42.059 -0.777 0.000 0.901 386 L HN 0.574 nan 8.230 nan 0.000 0.433 387 Y N 1.550 121.424 120.300 -0.711 0.000 2.053 387 Y HA -0.347 4.204 4.550 0.002 0.000 0.277 387 Y C 2.541 178.274 175.900 -0.278 0.000 1.159 387 Y CA 2.392 60.009 58.100 -0.805 0.000 1.125 387 Y CB -0.350 37.382 38.460 -1.213 0.000 0.969 387 Y HN 0.326 nan 8.280 nan 0.000 0.492 388 N N -0.858 117.794 118.700 -0.081 0.000 2.166 388 N HA -0.143 4.598 4.740 0.002 0.000 0.186 388 N C 1.770 177.307 175.510 0.044 0.000 1.019 388 N CA 1.840 54.881 53.050 -0.014 0.000 0.856 388 N CB -0.766 37.770 38.487 0.081 0.000 0.993 388 N HN 0.396 nan 8.380 nan 0.000 0.426 389 T N 2.135 116.739 114.554 0.085 0.000 2.708 389 T HA -0.015 4.336 4.350 0.002 0.000 0.266 389 T C 1.907 176.657 174.700 0.084 0.000 1.037 389 T CA 0.599 62.802 62.100 0.170 0.000 1.146 389 T CB -0.025 69.020 68.868 0.295 0.000 0.865 389 T HN 0.083 nan 8.240 nan 0.000 0.435 390 I N 2.258 122.845 120.570 0.030 0.000 2.286 390 I HA -0.094 4.078 4.170 0.002 0.000 0.248 390 I C 2.079 178.264 176.117 0.112 0.000 1.115 390 I CA 1.113 62.486 61.300 0.121 0.000 1.392 390 I CB -1.404 36.661 38.000 0.109 0.000 1.065 390 I HN 0.212 nan 8.210 nan 0.000 0.418 391 N N 0.914 119.652 118.700 0.063 0.000 2.244 391 N HA -0.172 4.569 4.740 0.002 0.000 0.183 391 N C 1.833 177.387 175.510 0.073 0.000 1.016 391 N CA 0.909 53.975 53.050 0.026 0.000 0.866 391 N CB -0.150 38.270 38.487 -0.113 0.000 0.980 391 N HN 0.420 nan 8.380 nan 0.000 0.430 392 E N 0.766 121.016 120.200 0.085 0.000 2.031 392 E HA -0.024 4.327 4.350 0.002 0.000 0.193 392 E C 1.995 178.688 176.600 0.156 0.000 0.994 392 E CA 0.782 57.257 56.400 0.125 0.000 0.800 392 E CB -0.124 29.647 29.700 0.119 0.000 0.752 392 E HN 0.274 nan 8.360 nan 0.000 0.447 393 I N 0.628 121.278 120.570 0.132 0.000 2.194 393 I HA -0.346 3.825 4.170 0.002 0.000 0.246 393 I C 2.384 178.544 176.117 0.072 0.000 1.093 393 I CA 1.101 62.480 61.300 0.132 0.000 1.355 393 I CB -0.388 37.753 38.000 0.236 0.000 1.046 393 I HN 0.162 nan 8.210 nan 0.000 0.413 394 A N 0.189 123.039 122.820 0.050 0.000 1.908 394 A HA -0.302 4.019 4.320 0.002 0.000 0.218 394 A C 2.284 179.875 177.584 0.012 0.000 1.181 394 A CA 1.778 53.801 52.037 -0.024 0.000 0.627 394 A CB -1.094 17.891 19.000 -0.025 0.000 0.818 394 A HN 0.526 nan 8.150 nan 0.000 0.445 395 Y N 1.425 121.714 120.300 -0.018 0.000 2.097 395 Y HA -0.282 4.269 4.550 0.002 0.000 0.282 395 Y C 2.011 177.908 175.900 -0.005 0.000 1.152 395 Y CA 2.150 60.246 58.100 -0.007 0.000 1.136 395 Y CB -0.428 38.037 38.460 0.009 0.000 0.975 395 Y HN 0.388 nan 8.280 nan 0.000 0.498 396 D N 0.025 120.407 120.400 -0.029 0.000 2.126 396 D HA -0.248 4.394 4.640 0.002 0.000 0.190 396 D C 1.833 178.040 176.300 -0.154 0.000 1.001 396 D CA 1.763 55.707 54.000 -0.095 0.000 0.841 396 D CB -0.568 40.253 40.800 0.036 0.000 0.949 396 D HN 0.504 nan 8.370 nan 0.000 0.446 397 N N 0.587 119.218 118.700 -0.115 0.000 2.188 397 N HA -0.097 4.644 4.740 0.002 0.000 0.184 397 N C 1.968 177.393 175.510 -0.142 0.000 1.018 397 N CA 0.161 53.142 53.050 -0.114 0.000 0.858 397 N CB -0.158 38.237 38.487 -0.153 0.000 0.989 397 N HN 0.216 nan 8.380 nan 0.000 0.426 398 L N 1.798 122.910 121.223 -0.185 0.000 2.141 398 L HA -0.114 4.227 4.340 0.002 0.000 0.209 398 L C 2.259 178.992 176.870 -0.229 0.000 1.094 398 L CA 1.459 56.193 54.840 -0.178 0.000 0.763 398 L CB -0.264 41.700 42.059 -0.157 0.000 0.908 398 L HN 0.121 nan 8.230 nan 0.000 0.437 399 K N -0.571 119.609 120.400 -0.367 0.000 2.076 399 K HA -0.142 4.179 4.320 0.002 0.000 0.204 399 K C 1.477 177.974 176.600 -0.172 0.000 1.051 399 K CA 1.502 57.590 56.287 -0.333 0.000 0.949 399 K CB 0.184 32.379 32.500 -0.509 0.000 0.726 399 K HN 0.297 nan 8.250 nan 0.000 0.443 400 D N 0.452 120.768 120.400 -0.140 0.000 2.201 400 D HA -0.033 4.608 4.640 0.002 0.000 0.209 400 D C 1.196 177.460 176.300 -0.060 0.000 0.961 400 D CA 1.074 55.027 54.000 -0.079 0.000 0.861 400 D CB 0.197 40.964 40.800 -0.055 0.000 0.997 400 D HN 0.169 nan 8.370 nan 0.000 0.486 401 K N -0.034 120.330 120.400 -0.059 0.000 2.374 401 K HA 0.244 4.565 4.320 0.002 0.000 0.196 401 K C 0.871 177.448 176.600 -0.039 0.000 1.023 401 K CA 0.306 56.571 56.287 -0.037 0.000 1.103 401 K CB 0.992 33.486 32.500 -0.011 0.000 0.848 401 K HN 0.071 nan 8.250 nan 0.000 0.528 402 G N 2.349 111.113 108.800 -0.060 0.000 2.283 402 G HA2 -0.284 3.677 3.960 0.002 0.000 0.280 402 G HA3 -0.284 3.677 3.960 0.002 0.000 0.280 402 G C -0.332 174.546 174.900 -0.037 0.000 1.029 402 G CA 0.615 45.685 45.100 -0.051 0.000 0.840 402 G HN 0.329 nan 8.290 nan 0.000 0.505 403 E N -0.654 119.521 120.200 -0.041 0.000 2.312 403 E HA 0.524 4.875 4.350 0.002 0.000 0.267 403 E C -0.319 176.255 176.600 -0.043 0.000 0.894 403 E CA -0.942 55.446 56.400 -0.021 0.000 0.773 403 E CB 0.898 30.605 29.700 0.012 0.000 1.241 403 E HN 0.266 nan 8.360 nan 0.000 0.432 404 N N 3.201 121.884 118.700 -0.028 0.000 2.457 404 N HA 0.244 4.985 4.740 0.002 0.000 0.250 404 N C 0.339 175.818 175.510 -0.053 0.000 0.982 404 N CA -0.107 52.912 53.050 -0.053 0.000 0.941 404 N CB 0.429 38.890 38.487 -0.044 0.000 1.120 404 N HN 0.543 nan 8.380 nan 0.000 0.505 405 I N 1.399 121.899 120.570 -0.117 0.000 4.082 405 I HA 0.136 4.307 4.170 0.002 0.000 0.337 405 I C 1.288 177.287 176.117 -0.197 0.000 1.352 405 I CA -0.357 60.886 61.300 -0.095 0.000 1.097 405 I CB 0.167 37.892 38.000 -0.459 0.000 1.048 405 I HN 0.395 nan 8.210 nan 0.000 0.393 406 L N 3.114 124.212 121.223 -0.208 0.000 2.034 406 L HA -0.089 4.252 4.340 0.002 0.000 0.217 406 L C -0.512 176.164 176.870 -0.323 0.000 1.077 406 L CA 2.708 57.402 54.840 -0.243 0.000 0.769 406 L CB -1.605 40.353 42.059 -0.168 0.000 0.890 406 L HN 0.180 nan 8.230 nan 0.000 0.435 407 P HA -0.197 nan 4.420 nan 0.000 0.216 407 P C 1.178 178.247 177.300 -0.386 0.000 1.153 407 P CA 1.631 64.490 63.100 -0.402 0.000 0.858 407 P CB -0.179 31.221 31.700 -0.500 0.000 0.789 408 Y N -0.863 119.321 120.300 -0.193 0.000 2.200 408 Y HA -0.118 4.433 4.550 0.002 0.000 0.290 408 Y C 2.336 178.109 175.900 -0.212 0.000 1.137 408 Y CA 0.980 58.977 58.100 -0.170 0.000 1.163 408 Y CB -1.495 36.901 38.460 -0.108 0.000 0.988 408 Y HN -0.130 nan 8.280 nan 0.000 0.518 409 L N -0.672 120.454 121.223 -0.160 0.000 2.056 409 L HA -0.173 4.168 4.340 0.002 0.000 0.207 409 L C 2.497 179.339 176.870 -0.045 0.000 1.078 409 L CA 1.881 56.606 54.840 -0.191 0.000 0.749 409 L CB -1.297 40.630 42.059 -0.219 0.000 0.901 409 L HN 0.332 nan 8.230 nan 0.000 0.433 410 T N -3.105 111.268 114.554 -0.302 0.000 2.821 410 T HA -0.155 4.196 4.350 0.002 0.000 0.267 410 T C 2.006 176.646 174.700 -0.100 0.000 1.046 410 T CA 0.579 62.427 62.100 -0.420 0.000 1.139 410 T CB -0.141 68.229 68.868 -0.831 0.000 0.871 410 T HN 0.002 nan 8.240 nan 0.000 0.454 411 K N 2.013 122.355 120.400 -0.096 0.000 2.032 411 K HA 0.071 4.392 4.320 0.002 0.000 0.209 411 K C 2.650 179.263 176.600 0.022 0.000 1.048 411 K CA 1.736 58.004 56.287 -0.031 0.000 0.927 411 K CB -1.181 31.287 32.500 -0.054 0.000 0.712 411 K HN 0.468 nan 8.250 nan 0.000 0.441 412 A N -0.072 122.756 122.820 0.013 0.000 1.873 412 A HA -0.204 4.117 4.320 0.002 0.000 0.218 412 A C 2.231 179.787 177.584 -0.048 0.000 1.193 412 A CA 1.892 53.926 52.037 -0.006 0.000 0.629 412 A CB -1.216 17.769 19.000 -0.025 0.000 0.826 412 A HN 0.510 nan 8.150 nan 0.000 0.447 413 W N -0.493 120.855 121.300 0.080 0.000 2.363 413 W HA -0.012 4.649 4.660 0.002 0.000 0.296 413 W C 2.804 179.376 176.519 0.090 0.000 1.212 413 W CA 1.462 58.871 57.345 0.105 0.000 1.260 413 W CB -0.240 29.295 29.460 0.125 0.000 1.131 413 W HN 0.422 nan 8.180 nan 0.000 0.530 414 A N 0.372 123.343 122.820 0.252 0.000 1.883 414 A HA -0.247 4.075 4.320 0.002 0.000 0.217 414 A C 1.670 179.304 177.584 0.083 0.000 1.186 414 A CA 2.262 54.406 52.037 0.178 0.000 0.624 414 A CB -0.895 18.177 19.000 0.119 0.000 0.822 414 A HN 0.178 nan 8.150 nan 0.000 0.444 415 D N -0.560 119.857 120.400 0.029 0.000 2.117 415 D HA -0.107 4.535 4.640 0.002 0.000 0.198 415 D C 1.844 178.025 176.300 -0.198 0.000 0.982 415 D CA 1.176 55.142 54.000 -0.057 0.000 0.828 415 D CB -0.467 40.345 40.800 0.021 0.000 0.967 415 D HN 0.336 nan 8.370 nan 0.000 0.464 416 L N 0.706 121.793 121.223 -0.227 0.000 1.976 416 L HA -0.165 4.176 4.340 0.002 0.000 0.209 416 L C 2.262 178.853 176.870 -0.465 0.000 1.071 416 L CA 1.658 56.224 54.840 -0.457 0.000 0.746 416 L CB -0.800 40.980 42.059 -0.466 0.000 0.890 416 L HN 0.067 nan 8.230 nan 0.000 0.432 417 C N 0.150 119.400 119.300 -0.083 0.000 2.401 417 C HA -0.166 4.295 4.460 0.002 0.000 0.276 417 C C 2.607 177.511 174.990 -0.144 0.000 1.233 417 C CA 1.126 60.132 59.018 -0.020 0.000 1.753 417 C CB -1.488 26.477 27.740 0.375 0.000 2.029 417 C HN 0.632 nan 8.230 nan 0.000 0.478 418 N N 0.756 119.401 118.700 -0.091 0.000 2.309 418 N HA -0.060 4.681 4.740 0.002 0.000 0.182 418 N C 1.819 177.192 175.510 -0.228 0.000 1.018 418 N CA 1.454 54.442 53.050 -0.102 0.000 0.876 418 N CB -0.308 38.132 38.487 -0.078 0.000 0.972 418 N HN 0.574 nan 8.380 nan 0.000 0.434 419 A N 0.428 123.032 122.820 -0.360 0.000 1.898 419 A HA -0.052 4.269 4.320 0.002 0.000 0.216 419 A C 1.844 179.222 177.584 -0.342 0.000 1.181 419 A CA 0.801 52.566 52.037 -0.453 0.000 0.620 419 A CB -0.625 18.002 19.000 -0.621 0.000 0.819 419 A HN 0.096 nan 8.150 nan 0.000 0.442 420 F N -0.539 119.184 119.950 -0.378 0.000 2.134 420 F HA -0.095 4.433 4.527 0.002 0.000 0.299 420 F C 2.048 177.720 175.800 -0.214 0.000 1.097 420 F CA 0.960 58.724 58.000 -0.394 0.000 1.264 420 F CB -0.932 37.555 39.000 -0.855 0.000 1.001 420 F HN 0.245 nan 8.300 nan 0.000 0.479 421 L N 0.173 121.409 121.223 0.021 0.000 2.083 421 L HA -0.205 4.136 4.340 0.002 0.000 0.209 421 L C 2.398 179.248 176.870 -0.033 0.000 1.083 421 L CA 1.705 56.651 54.840 0.178 0.000 0.752 421 L CB -1.010 41.160 42.059 0.185 0.000 0.899 421 L HN 0.150 nan 8.230 nan 0.000 0.433 422 Q N 0.085 119.746 119.800 -0.231 0.000 2.050 422 Q HA -0.220 4.121 4.340 0.002 0.000 0.202 422 Q C 2.091 177.709 176.000 -0.637 0.000 0.980 422 Q CA 2.176 57.644 55.803 -0.559 0.000 0.840 422 Q CB -0.228 28.049 28.738 -0.768 0.000 0.898 422 Q HN 0.653 nan 8.270 nan 0.000 0.424 423 E N -0.378 119.628 120.200 -0.324 0.000 2.077 423 E HA -0.175 4.176 4.350 0.002 0.000 0.193 423 E C 1.904 178.575 176.600 0.118 0.000 0.989 423 E CA 0.943 57.344 56.400 0.001 0.000 0.800 423 E CB -0.268 29.505 29.700 0.122 0.000 0.746 423 E HN 0.495 nan 8.360 nan 0.000 0.452 424 A N 1.635 124.518 122.820 0.105 0.000 1.908 424 A HA -0.253 4.068 4.320 0.002 0.000 0.218 424 A C 1.954 179.623 177.584 0.143 0.000 1.181 424 A CA 1.603 53.725 52.037 0.142 0.000 0.627 424 A CB -0.295 18.805 19.000 0.166 0.000 0.818 424 A HN 0.058 nan 8.150 nan 0.000 0.445 425 K N -1.476 118.965 120.400 0.069 0.000 2.025 425 K HA -0.150 4.171 4.320 0.002 0.000 0.207 425 K C 1.898 178.636 176.600 0.230 0.000 1.049 425 K CA 1.302 57.656 56.287 0.112 0.000 0.933 425 K CB -0.256 32.238 32.500 -0.010 0.000 0.714 425 K HN 0.659 nan 8.250 nan 0.000 0.438 426 W N 1.292 122.673 121.300 0.135 0.000 2.338 426 W HA -0.172 4.489 4.660 0.002 0.000 0.304 426 W C 2.038 178.622 176.519 0.108 0.000 1.212 426 W CA 0.540 57.955 57.345 0.115 0.000 1.264 426 W CB -1.020 28.521 29.460 0.135 0.000 1.142 426 W HN 0.102 nan 8.180 nan 0.000 0.512 427 L N -0.413 121.025 121.223 0.357 0.000 1.994 427 L HA -0.237 4.104 4.340 0.002 0.000 0.208 427 L C 2.456 179.454 176.870 0.213 0.000 1.071 427 L CA 1.930 56.919 54.840 0.248 0.000 0.745 427 L CB -1.736 40.456 42.059 0.220 0.000 0.892 427 L HN 0.027 nan 8.230 nan 0.000 0.431 428 Y N 0.301 120.666 120.300 0.109 0.000 2.274 428 Y HA -0.198 4.353 4.550 0.002 0.000 0.290 428 Y C 1.948 177.893 175.900 0.076 0.000 1.145 428 Y CA 1.856 60.000 58.100 0.074 0.000 1.203 428 Y CB -0.245 38.248 38.460 0.056 0.000 0.984 428 Y HN 0.372 nan 8.280 nan 0.000 0.533 429 N N 0.498 119.207 118.700 0.015 0.000 2.270 429 N HA 0.012 4.753 4.740 0.002 0.000 0.198 429 N C -0.122 175.382 175.510 -0.010 0.000 1.117 429 N CA 0.384 53.397 53.050 -0.061 0.000 0.845 429 N CB 0.087 38.620 38.487 0.077 0.000 0.980 429 N HN 0.292 nan 8.380 nan 0.000 0.486 430 K N 0.338 120.753 120.400 0.024 0.000 2.975 430 K HA -0.146 4.175 4.320 0.002 0.000 0.257 430 K C -0.379 176.231 176.600 0.016 0.000 1.005 430 K CA 0.276 56.574 56.287 0.018 0.000 0.738 430 K CB -1.750 30.736 32.500 -0.024 0.000 1.236 430 K HN 0.108 nan 8.250 nan 0.000 0.483 431 S N 0.769 116.509 115.700 0.067 0.000 2.580 431 S HA 0.144 4.615 4.470 0.002 0.000 0.266 431 S C 0.892 175.421 174.600 -0.118 0.000 1.354 431 S CA 0.201 58.410 58.200 0.016 0.000 1.008 431 S CB 0.940 64.230 63.200 0.149 0.000 0.898 431 S HN 0.385 nan 8.310 nan 0.000 0.555 432 T N -0.141 114.312 114.554 -0.169 0.000 3.305 432 T HA 0.410 4.761 4.350 0.002 0.000 0.348 432 T C -2.365 172.182 174.700 -0.254 0.000 1.394 432 T CA -1.299 60.672 62.100 -0.215 0.000 1.549 432 T CB 0.302 69.092 68.868 -0.129 0.000 0.962 432 T HN 0.403 nan 8.240 nan 0.000 0.609 433 P HA 0.335 nan 4.420 nan 0.000 0.275 433 P C 0.179 177.349 177.300 -0.216 0.000 1.266 433 P CA -0.290 62.593 63.100 -0.362 0.000 0.793 433 P CB 0.592 31.867 31.700 -0.708 0.000 1.074 434 T N -2.737 111.754 114.554 -0.106 0.000 2.899 434 T HA 0.107 4.458 4.350 0.002 0.000 0.295 434 T C 1.020 175.753 174.700 0.054 0.000 1.033 434 T CA -0.501 61.591 62.100 -0.013 0.000 1.084 434 T CB 0.187 69.070 68.868 0.025 0.000 0.979 434 T HN 0.282 nan 8.240 nan 0.000 0.532 435 F N 1.768 121.710 119.950 -0.013 0.000 2.087 435 F HA -0.186 4.342 4.527 0.002 0.000 0.299 435 F C 1.721 177.636 175.800 0.192 0.000 1.100 435 F CA 2.206 60.261 58.000 0.093 0.000 1.226 435 F CB -0.637 38.392 39.000 0.048 0.000 0.983 435 F HN 0.662 nan 8.300 nan 0.000 0.479 436 D N 0.072 120.598 120.400 0.210 0.000 2.149 436 D HA -0.193 4.448 4.640 0.002 0.000 0.198 436 D C 2.018 178.375 176.300 0.095 0.000 0.990 436 D CA 1.672 55.772 54.000 0.167 0.000 0.839 436 D CB -0.436 40.473 40.800 0.182 0.000 0.948 436 D HN 0.368 nan 8.370 nan 0.000 0.460 437 D N -1.023 119.419 120.400 0.069 0.000 2.123 437 D HA -0.139 4.502 4.640 0.002 0.000 0.200 437 D C 1.879 178.231 176.300 0.086 0.000 0.976 437 D CA 0.614 54.663 54.000 0.081 0.000 0.831 437 D CB -0.160 40.683 40.800 0.072 0.000 0.974 437 D HN 0.250 nan 8.370 nan 0.000 0.469 438 Y N 0.592 120.785 120.300 -0.178 0.000 2.109 438 Y HA -0.227 4.324 4.550 0.002 0.000 0.285 438 Y C 2.184 178.018 175.900 -0.110 0.000 1.131 438 Y CA 1.356 59.336 58.100 -0.200 0.000 1.121 438 Y CB -0.703 37.565 38.460 -0.321 0.000 0.987 438 Y HN -0.133 nan 8.280 nan 0.000 0.495 439 F N 0.705 120.407 119.950 -0.414 0.000 2.161 439 F HA -0.066 4.462 4.527 0.002 0.000 0.300 439 F C 2.335 177.956 175.800 -0.299 0.000 1.089 439 F CA 1.756 59.469 58.000 -0.478 0.000 1.282 439 F CB -0.862 37.662 39.000 -0.793 0.000 1.010 439 F HN 0.107 nan 8.300 nan 0.000 0.485 440 G N -0.457 108.228 108.800 -0.191 0.000 2.422 440 G HA2 -0.378 3.583 3.960 0.002 0.000 0.218 440 G HA3 -0.378 3.583 3.960 0.002 0.000 0.218 440 G C 1.476 175.865 174.900 -0.852 0.000 1.146 440 G CA 1.054 45.959 45.100 -0.325 0.000 0.769 440 G HN 0.448 nan 8.290 nan 0.000 0.547 441 N N 0.507 118.865 118.700 -0.569 0.000 2.300 441 N HA 0.137 4.878 4.740 0.002 0.000 0.179 441 N C 2.344 177.410 175.510 -0.741 0.000 1.016 441 N CA 1.253 53.942 53.050 -0.602 0.000 0.876 441 N CB -0.235 38.076 38.487 -0.293 0.000 0.979 441 N HN 0.208 nan 8.380 nan 0.000 0.432 442 A N 1.008 123.367 122.820 -0.767 0.000 1.877 442 A HA -0.109 4.212 4.320 0.002 0.000 0.216 442 A C 1.982 179.191 177.584 -0.625 0.000 1.186 442 A CA 1.438 53.059 52.037 -0.692 0.000 0.620 442 A CB -1.236 17.349 19.000 -0.691 0.000 0.822 442 A HN 0.724 nan 8.150 nan 0.000 0.443 443 W N 0.030 120.870 121.300 -0.767 0.000 2.519 443 W HA 0.014 4.675 4.660 0.002 0.000 0.266 443 W C 1.235 177.476 176.519 -0.463 0.000 1.253 443 W CA 0.960 57.942 57.345 -0.605 0.000 1.274 443 W CB -0.471 28.634 29.460 -0.591 0.000 1.114 443 W HN 0.250 nan 8.180 nan 0.000 0.596 444 K N 1.450 121.274 120.400 -0.960 0.000 2.076 444 K HA -0.105 4.216 4.320 0.002 0.000 0.204 444 K C 2.422 178.635 176.600 -0.646 0.000 1.051 444 K CA 1.825 57.571 56.287 -0.900 0.000 0.949 444 K CB -0.427 31.353 32.500 -1.199 0.000 0.726 444 K HN 0.059 nan 8.250 nan 0.000 0.443 445 S N 0.965 116.266 115.700 -0.665 0.000 2.547 445 S HA -0.091 4.380 4.470 0.002 0.000 0.235 445 S C 1.912 176.218 174.600 -0.490 0.000 0.980 445 S CA 1.146 58.927 58.200 -0.698 0.000 0.941 445 S CB -0.307 62.569 63.200 -0.540 0.000 0.763 445 S HN 0.272 nan 8.310 nan 0.000 0.532 446 S N 1.829 117.267 115.700 -0.436 0.000 2.423 446 S HA -0.079 4.392 4.470 0.002 0.000 0.231 446 S C 1.458 175.859 174.600 -0.332 0.000 1.014 446 S CA 1.204 59.104 58.200 -0.500 0.000 0.965 446 S CB -0.862 61.913 63.200 -0.708 0.000 0.785 446 S HN 1.788 nan 8.310 nan 0.000 0.495 447 S N -1.569 113.964 115.700 -0.278 0.000 2.765 447 S HA -0.173 4.298 4.470 0.002 0.000 0.266 447 S C 1.501 176.057 174.600 -0.072 0.000 1.302 447 S CA 1.297 59.357 58.200 -0.234 0.000 1.274 447 S CB -2.619 60.442 63.200 -0.232 0.000 1.559 447 S HN 1.244 nan 8.310 nan 0.000 0.658 448 G N 3.223 112.102 108.800 0.131 0.000 2.459 448 G HA2 -0.056 3.905 3.960 0.002 0.000 0.217 448 G HA3 -0.056 3.905 3.960 0.002 0.000 0.217 448 G C -0.053 174.932 174.900 0.143 0.000 1.183 448 G CA 1.443 46.726 45.100 0.304 0.000 0.776 448 G HN 0.662 nan 8.290 nan 0.000 0.552 449 P HA -0.075 nan 4.420 nan 0.000 0.216 449 P C 2.244 179.633 177.300 0.149 0.000 1.153 449 P CA 0.745 63.962 63.100 0.196 0.000 0.848 449 P CB -0.132 31.793 31.700 0.374 0.000 0.787 450 L N -0.228 121.032 121.223 0.060 0.000 2.013 450 L HA -0.238 4.103 4.340 0.002 0.000 0.212 450 L C 2.813 179.776 176.870 0.156 0.000 1.073 450 L CA 1.881 56.731 54.840 0.018 0.000 0.753 450 L CB -0.829 41.071 42.059 -0.264 0.000 0.890 450 L HN -0.095 nan 8.230 nan 0.000 0.432 451 Q N -0.392 119.447 119.800 0.065 0.000 2.061 451 Q HA -0.252 4.089 4.340 0.002 0.000 0.204 451 Q C 2.313 178.425 176.000 0.187 0.000 0.984 451 Q CA 2.065 57.934 55.803 0.110 0.000 0.846 451 Q CB -0.292 28.448 28.738 0.003 0.000 0.902 451 Q HN 0.576 nan 8.270 nan 0.000 0.421 452 L N 0.177 121.477 121.223 0.128 0.000 2.131 452 L HA -0.188 4.153 4.340 0.002 0.000 0.210 452 L C 2.277 179.274 176.870 0.212 0.000 1.092 452 L CA 0.756 55.675 54.840 0.131 0.000 0.759 452 L CB -0.322 41.761 42.059 0.039 0.000 0.903 452 L HN 0.276 nan 8.230 nan 0.000 0.435 453 I N -1.034 119.623 120.570 0.145 0.000 2.226 453 I HA -0.315 3.856 4.170 0.002 0.000 0.245 453 I C 2.273 178.448 176.117 0.096 0.000 1.100 453 I CA 1.567 62.881 61.300 0.023 0.000 1.374 453 I CB -0.220 37.756 38.000 -0.040 0.000 1.057 453 I HN 0.098 nan 8.210 nan 0.000 0.413 454 F N 0.645 120.719 119.950 0.205 0.000 2.234 454 F HA -0.137 4.391 4.527 0.002 0.000 0.299 454 F C 2.542 178.468 175.800 0.210 0.000 1.087 454 F CA 1.243 59.401 58.000 0.263 0.000 1.340 454 F CB -0.545 38.569 39.000 0.190 0.000 1.031 454 F HN -0.010 nan 8.300 nan 0.000 0.500 455 A N -0.764 122.244 122.820 0.314 0.000 1.898 455 A HA -0.249 4.073 4.320 0.002 0.000 0.216 455 A C 2.015 179.689 177.584 0.151 0.000 1.181 455 A CA 1.428 53.578 52.037 0.189 0.000 0.620 455 A CB -1.447 17.628 19.000 0.124 0.000 0.819 455 A HN 0.498 nan 8.150 nan 0.000 0.442 456 Y N -0.034 120.275 120.300 0.015 0.000 2.040 456 Y HA -0.303 4.248 4.550 0.002 0.000 0.275 456 Y C 1.764 177.386 175.900 -0.462 0.000 1.171 456 Y CA 2.337 60.151 58.100 -0.477 0.000 1.123 456 Y CB -0.633 37.225 38.460 -1.003 0.000 0.963 456 Y HN 0.272 nan 8.280 nan 0.000 0.493 457 F N -0.288 119.616 119.950 -0.078 0.000 2.641 457 F HA 0.022 4.550 4.527 0.002 0.000 0.298 457 F C 2.179 177.905 175.800 -0.123 0.000 1.146 457 F CA 0.841 58.754 58.000 -0.145 0.000 1.464 457 F CB -0.616 38.365 39.000 -0.033 0.000 1.101 457 F HN 0.214 nan 8.300 nan 0.000 0.585 458 A N -1.260 121.586 122.820 0.043 0.000 2.343 458 A HA 0.327 4.648 4.320 0.002 0.000 0.223 458 A C 1.743 179.302 177.584 -0.042 0.000 1.214 458 A CA 0.387 52.448 52.037 0.041 0.000 0.900 458 A CB -0.165 18.889 19.000 0.089 0.000 0.942 458 A HN 0.137 nan 8.150 nan 0.000 0.507 459 V N -0.126 119.691 119.914 -0.161 0.000 3.307 459 V HA 0.070 4.191 4.120 0.002 0.000 0.244 459 V C 0.830 176.817 176.094 -0.178 0.000 1.196 459 V CA 0.945 63.114 62.300 -0.218 0.000 1.132 459 V CB 0.681 32.321 31.823 -0.306 0.000 0.875 459 V HN 0.395 nan 8.190 nan 0.000 0.468 460 V N -0.939 118.758 119.914 -0.363 0.000 2.481 460 V HA 0.419 4.540 4.120 0.002 0.000 0.286 460 V C 0.770 176.718 176.094 -0.243 0.000 1.042 460 V CA -0.070 62.008 62.300 -0.370 0.000 0.928 460 V CB 1.553 32.939 31.823 -0.729 0.000 0.986 460 V HN 0.333 nan 8.190 nan 0.000 0.462 461 Q N 2.747 122.462 119.800 -0.141 0.000 2.134 461 Q HA 0.130 4.471 4.340 0.002 0.000 0.195 461 Q C 0.302 176.249 176.000 -0.089 0.000 0.958 461 Q CA 0.730 56.480 55.803 -0.087 0.000 0.840 461 Q CB 0.345 29.051 28.738 -0.054 0.000 0.918 461 Q HN 0.869 nan 8.270 nan 0.000 0.467 462 N N 2.115 120.756 118.700 -0.098 0.000 2.546 462 N HA 0.221 4.962 4.740 0.002 0.000 0.238 462 N C -0.454 175.001 175.510 -0.092 0.000 0.984 462 N CA -0.134 52.871 53.050 -0.076 0.000 0.935 462 N CB 1.012 39.464 38.487 -0.060 0.000 1.122 462 N HN 0.348 nan 8.380 nan 0.000 0.510 463 I N -1.087 119.447 120.570 -0.061 0.000 2.720 463 I HA 0.343 4.514 4.170 0.002 0.000 0.287 463 I C -0.197 175.924 176.117 0.006 0.000 1.090 463 I CA -0.232 61.064 61.300 -0.006 0.000 1.384 463 I CB 0.745 38.825 38.000 0.134 0.000 1.420 463 I HN 0.006 nan 8.210 nan 0.000 0.575 464 K N 4.291 124.693 120.400 0.003 0.000 2.345 464 K HA 0.278 4.599 4.320 0.002 0.000 0.255 464 K C 0.084 176.611 176.600 -0.121 0.000 0.934 464 K CA -0.866 55.378 56.287 -0.071 0.000 0.801 464 K CB 2.705 35.135 32.500 -0.117 0.000 1.137 464 K HN 0.566 nan 8.250 nan 0.000 0.424 465 K N 2.137 122.480 120.400 -0.095 0.000 2.074 465 K HA -0.247 4.074 4.320 0.002 0.000 0.209 465 K C 1.625 178.133 176.600 -0.154 0.000 1.048 465 K CA 1.784 58.009 56.287 -0.103 0.000 0.926 465 K CB 0.215 32.692 32.500 -0.039 0.000 0.713 465 K HN 0.637 nan 8.250 nan 0.000 0.444 466 E N 0.435 120.539 120.200 -0.160 0.000 2.077 466 E HA -0.222 4.129 4.350 0.002 0.000 0.193 466 E C 1.683 178.109 176.600 -0.289 0.000 0.989 466 E CA 1.374 57.663 56.400 -0.186 0.000 0.800 466 E CB 0.104 29.696 29.700 -0.180 0.000 0.746 466 E HN 0.379 nan 8.360 nan 0.000 0.452 467 E N 0.671 120.630 120.200 -0.402 0.000 2.038 467 E HA -0.208 4.143 4.350 0.002 0.000 0.195 467 E C 2.405 178.727 176.600 -0.464 0.000 1.000 467 E CA 1.698 57.734 56.400 -0.608 0.000 0.803 467 E CB -0.389 28.979 29.700 -0.554 0.000 0.750 467 E HN 0.523 nan 8.360 nan 0.000 0.448 468 I N -0.706 119.528 120.570 -0.561 0.000 2.286 468 I HA -0.197 3.974 4.170 0.002 0.000 0.248 468 I C 2.118 177.963 176.117 -0.453 0.000 1.115 468 I CA 1.473 62.350 61.300 -0.704 0.000 1.392 468 I CB -0.377 37.106 38.000 -0.861 0.000 1.065 468 I HN -0.031 nan 8.210 nan 0.000 0.418 469 E N 1.483 121.516 120.200 -0.278 0.000 2.204 469 E HA -0.174 4.177 4.350 0.002 0.000 0.195 469 E C 1.965 178.512 176.600 -0.088 0.000 0.990 469 E CA 1.122 57.454 56.400 -0.114 0.000 0.821 469 E CB -0.003 29.660 29.700 -0.062 0.000 0.750 469 E HN 0.523 nan 8.360 nan 0.000 0.477 470 N N -0.271 118.381 118.700 -0.080 0.000 2.333 470 N HA -0.049 4.693 4.740 0.002 0.000 0.178 470 N C 1.750 177.286 175.510 0.043 0.000 1.018 470 N CA 0.531 53.615 53.050 0.058 0.000 0.882 470 N CB 0.141 38.753 38.487 0.209 0.000 0.984 470 N HN 0.207 nan 8.380 nan 0.000 0.434 471 L N 1.126 122.294 121.223 -0.091 0.000 2.056 471 L HA -0.149 4.192 4.340 0.002 0.000 0.207 471 L C 2.616 179.295 176.870 -0.319 0.000 1.078 471 L CA 1.046 55.769 54.840 -0.195 0.000 0.749 471 L CB -0.469 41.364 42.059 -0.377 0.000 0.901 471 L HN 0.172 nan 8.230 nan 0.000 0.433 472 Q N 0.806 120.431 119.800 -0.291 0.000 2.234 472 Q HA -0.211 4.130 4.340 0.002 0.000 0.206 472 Q C 1.581 177.316 176.000 -0.442 0.000 0.980 472 Q CA 1.507 57.110 55.803 -0.334 0.000 0.869 472 Q CB 0.160 28.846 28.738 -0.087 0.000 0.912 472 Q HN 0.387 nan 8.270 nan 0.000 0.436 473 K N -0.532 119.725 120.400 -0.238 0.000 2.417 473 K HA -0.001 4.320 4.320 0.002 0.000 0.196 473 K C -0.980 175.639 176.600 0.032 0.000 1.023 473 K CA -0.111 56.125 56.287 -0.085 0.000 1.122 473 K CB 0.409 32.911 32.500 0.003 0.000 0.850 473 K HN 0.175 nan 8.250 nan 0.000 0.521 474 Y N 0.262 120.626 120.300 0.107 0.000 3.057 474 Y HA -0.304 4.247 4.550 0.002 0.000 0.192 474 Y C 0.516 176.479 175.900 0.105 0.000 1.448 474 Y CA 0.064 58.251 58.100 0.146 0.000 1.065 474 Y CB -2.779 35.868 38.460 0.311 0.000 1.369 474 Y HN 0.359 nan 8.280 nan 0.000 0.460 475 H N 1.888 120.995 119.070 0.062 0.000 3.016 475 H HA -0.067 4.490 4.556 0.002 0.000 0.345 475 H C 1.236 176.540 175.328 -0.040 0.000 1.066 475 H CA 1.346 57.417 56.048 0.038 0.000 1.390 475 H CB 0.833 30.651 29.762 0.094 0.000 1.344 475 H HN 0.476 nan 8.280 nan 0.000 0.605 476 D N 4.226 124.643 120.400 0.027 0.000 2.271 476 D HA -0.191 4.450 4.640 0.002 0.000 0.207 476 D C 2.175 178.472 176.300 -0.005 0.000 0.983 476 D CA 0.882 54.858 54.000 -0.039 0.000 0.878 476 D CB 0.020 40.767 40.800 -0.089 0.000 0.920 476 D HN 0.630 nan 8.370 nan 0.000 0.479 477 I N 0.878 121.557 120.570 0.182 0.000 2.361 477 I HA -0.217 3.955 4.170 0.002 0.000 0.251 477 I C 2.073 178.042 176.117 -0.248 0.000 1.133 477 I CA 1.065 62.279 61.300 -0.144 0.000 1.413 477 I CB 0.144 37.898 38.000 -0.410 0.000 1.073 477 I HN -0.011 nan 8.210 nan 0.000 0.424 478 I N -3.117 117.350 120.570 -0.173 0.000 3.939 478 I HA 0.071 4.242 4.170 0.002 0.000 0.313 478 I C 2.293 178.306 176.117 -0.172 0.000 1.274 478 I CA 0.606 61.813 61.300 -0.155 0.000 1.301 478 I CB -0.250 37.725 38.000 -0.042 0.000 1.105 478 I HN 0.055 nan 8.210 nan 0.000 0.427 479 S N 1.718 117.251 115.700 -0.279 0.000 2.357 479 S HA -0.052 4.419 4.470 0.002 0.000 0.221 479 S C 2.127 176.156 174.600 -0.951 0.000 1.031 479 S CA 0.530 58.310 58.200 -0.700 0.000 0.982 479 S CB -0.382 62.264 63.200 -0.923 0.000 0.853 479 S HN 0.304 nan 8.310 nan 0.000 0.458 480 R N 2.909 122.937 120.500 -0.787 0.000 2.122 480 R HA 0.004 4.345 4.340 0.002 0.000 0.236 480 R C -0.471 175.553 176.300 -0.460 0.000 1.129 480 R CA 2.136 57.807 56.100 -0.716 0.000 0.925 480 R CB -1.835 28.206 30.300 -0.432 0.000 0.850 480 R HN 0.459 nan 8.270 nan 0.000 0.431 481 P HA -0.065 nan 4.420 nan 0.000 0.219 481 P C 0.598 177.854 177.300 -0.074 0.000 1.146 481 P CA 1.476 64.413 63.100 -0.272 0.000 0.808 481 P CB 0.056 31.582 31.700 -0.290 0.000 0.779 482 S N -1.152 114.513 115.700 -0.058 0.000 2.428 482 S HA -0.099 4.372 4.470 0.002 0.000 0.230 482 S C 1.790 176.509 174.600 0.199 0.000 1.014 482 S CA 0.578 58.879 58.200 0.167 0.000 0.957 482 S CB -1.047 62.273 63.200 0.201 0.000 0.784 482 S HN 0.449 nan 8.310 nan 0.000 0.499 483 H N 0.793 119.798 119.070 -0.109 0.000 2.326 483 H HA 0.059 4.616 4.556 0.002 0.000 0.301 483 H C 1.973 177.403 175.328 0.170 0.000 1.081 483 H CA 1.264 57.324 56.048 0.020 0.000 1.334 483 H CB -0.077 29.709 29.762 0.040 0.000 1.385 483 H HN 0.307 nan 8.280 nan 0.000 0.504 484 I N 0.457 121.155 120.570 0.213 0.000 2.286 484 I HA -0.272 3.899 4.170 0.002 0.000 0.248 484 I C 2.395 178.645 176.117 0.221 0.000 1.115 484 I CA 0.625 62.020 61.300 0.158 0.000 1.392 484 I CB -0.247 37.750 38.000 -0.004 0.000 1.065 484 I HN 0.208 nan 8.210 nan 0.000 0.418 485 F N 2.601 122.591 119.950 0.066 0.000 2.046 485 F HA -0.278 4.250 4.527 0.002 0.000 0.297 485 F C 2.708 178.563 175.800 0.091 0.000 1.123 485 F CA 2.022 60.107 58.000 0.142 0.000 1.199 485 F CB -0.814 38.295 39.000 0.183 0.000 0.972 485 F HN -0.060 nan 8.300 nan 0.000 0.474 486 R N 0.858 121.369 120.500 0.019 0.000 2.083 486 R HA -0.142 4.199 4.340 0.002 0.000 0.237 486 R C 2.328 178.647 176.300 0.033 0.000 1.137 486 R CA 2.045 58.060 56.100 -0.142 0.000 0.951 486 R CB -1.217 28.988 30.300 -0.158 0.000 0.851 486 R HN 0.490 nan 8.270 nan 0.000 0.434 487 L N -0.673 120.669 121.223 0.197 0.000 2.083 487 L HA -0.223 4.118 4.340 0.002 0.000 0.209 487 L C 2.588 179.525 176.870 0.112 0.000 1.083 487 L CA 1.391 56.358 54.840 0.212 0.000 0.752 487 L CB -0.482 41.732 42.059 0.259 0.000 0.899 487 L HN 0.294 nan 8.230 nan 0.000 0.433 488 C N -0.581 118.776 119.300 0.093 0.000 2.446 488 C HA -0.161 4.300 4.460 0.002 0.000 0.277 488 C C 2.638 177.582 174.990 -0.078 0.000 1.275 488 C CA 1.283 60.347 59.018 0.078 0.000 1.727 488 C CB -1.270 26.550 27.740 0.134 0.000 2.010 488 C HN 0.612 nan 8.230 nan 0.000 0.486 489 N N 0.723 119.196 118.700 -0.378 0.000 2.058 489 N HA -0.171 4.570 4.740 0.002 0.000 0.191 489 N C 1.048 176.412 175.510 -0.243 0.000 1.037 489 N CA 1.535 54.123 53.050 -0.769 0.000 0.848 489 N CB -0.142 37.838 38.487 -0.845 0.000 1.021 489 N HN 0.386 nan 8.380 nan 0.000 0.422 490 D N 0.555 120.901 120.400 -0.091 0.000 2.263 490 D HA -0.100 4.541 4.640 0.002 0.000 0.208 490 D C 1.932 178.264 176.300 0.053 0.000 0.971 490 D CA 0.490 54.506 54.000 0.026 0.000 0.867 490 D CB -0.096 40.772 40.800 0.113 0.000 0.929 490 D HN 0.378 nan 8.370 nan 0.000 0.492 491 L N 0.246 121.501 121.223 0.053 0.000 2.109 491 L HA -0.040 4.301 4.340 0.002 0.000 0.207 491 L C 2.278 179.200 176.870 0.086 0.000 1.086 491 L CA 0.853 55.741 54.840 0.079 0.000 0.760 491 L CB -0.243 41.876 42.059 0.100 0.000 0.910 491 L HN -0.031 nan 8.230 nan 0.000 0.437 492 A N -0.700 122.173 122.820 0.089 0.000 2.172 492 A HA -0.109 4.212 4.320 0.002 0.000 0.216 492 A C 2.078 179.721 177.584 0.097 0.000 1.154 492 A CA 1.573 53.681 52.037 0.119 0.000 0.701 492 A CB -0.301 18.808 19.000 0.182 0.000 0.789 492 A HN 0.512 nan 8.150 nan 0.000 0.465 493 S N -2.668 113.077 115.700 0.076 0.000 2.733 493 S HA 0.522 4.993 4.470 0.002 0.000 0.247 493 S C 1.625 176.266 174.600 0.068 0.000 1.043 493 S CA 0.665 58.909 58.200 0.073 0.000 1.066 493 S CB -0.085 63.157 63.200 0.071 0.000 1.045 493 S HN 0.654 nan 8.310 nan 0.000 0.586 494 A N 2.832 125.693 122.820 0.068 0.000 1.849 494 A HA -0.056 4.265 4.320 0.002 0.000 0.217 494 A C 2.377 179.995 177.584 0.057 0.000 1.202 494 A CA 2.263 54.339 52.037 0.066 0.000 0.629 494 A CB -1.527 17.514 19.000 0.068 0.000 0.834 494 A HN 0.510 nan 8.150 nan 0.000 0.447 495 S N -0.376 115.358 115.700 0.056 0.000 2.377 495 S HA -0.189 4.282 4.470 0.002 0.000 0.224 495 S C 2.364 176.992 174.600 0.046 0.000 1.042 495 S CA 1.801 60.030 58.200 0.049 0.000 1.086 495 S CB -0.783 62.447 63.200 0.049 0.000 0.995 495 S HN 0.907 nan 8.310 nan 0.000 0.428 496 A N 1.354 124.204 122.820 0.050 0.000 1.859 496 A HA -0.242 4.079 4.320 0.002 0.000 0.217 496 A C 2.016 179.627 177.584 0.044 0.000 1.198 496 A CA 2.013 54.078 52.037 0.047 0.000 0.629 496 A CB -0.886 18.145 19.000 0.052 0.000 0.830 496 A HN 0.615 nan 8.150 nan 0.000 0.446 497 E N -0.584 119.646 120.200 0.049 0.000 2.085 497 E HA -0.177 4.174 4.350 0.002 0.000 0.194 497 E C 1.958 178.581 176.600 0.039 0.000 0.994 497 E CA 1.269 57.697 56.400 0.047 0.000 0.801 497 E CB -0.319 29.414 29.700 0.056 0.000 0.743 497 E HN 0.724 nan 8.360 nan 0.000 0.453 498 I N 0.953 121.545 120.570 0.037 0.000 2.179 498 I HA -0.227 3.944 4.170 0.002 0.000 0.242 498 I C 2.254 178.386 176.117 0.025 0.000 1.088 498 I CA 0.937 62.255 61.300 0.029 0.000 1.357 498 I CB -0.249 37.770 38.000 0.031 0.000 1.051 498 I HN 0.040 nan 8.210 nan 0.000 0.409 499 A N 0.060 122.897 122.820 0.027 0.000 2.255 499 A HA -0.064 4.257 4.320 0.002 0.000 0.206 499 A C 2.038 179.636 177.584 0.023 0.000 1.193 499 A CA 0.650 52.702 52.037 0.024 0.000 0.794 499 A CB -0.589 18.426 19.000 0.026 0.000 0.794 499 A HN 0.376 nan 8.150 nan 0.000 0.481 500 R N -1.804 118.712 120.500 0.026 0.000 2.565 500 R HA 0.318 4.659 4.340 0.002 0.000 0.347 500 R C 1.295 177.609 176.300 0.023 0.000 1.010 500 R CA 0.837 56.952 56.100 0.026 0.000 1.126 500 R CB 0.052 30.371 30.300 0.032 0.000 1.331 500 R HN 0.555 nan 8.270 nan 0.000 0.552 501 G N 0.603 109.414 108.800 0.019 0.000 2.458 501 G HA2 -0.356 3.605 3.960 0.002 0.000 0.237 501 G HA3 -0.356 3.605 3.960 0.002 0.000 0.237 501 G C -0.151 174.758 174.900 0.015 0.000 1.113 501 G CA 0.328 45.436 45.100 0.014 0.000 0.655 501 G HN 0.473 nan 8.290 nan 0.000 0.513 502 E N 1.299 121.513 120.200 0.024 0.000 2.568 502 E HA 0.305 4.656 4.350 0.002 0.000 0.262 502 E C 1.186 177.796 176.600 0.017 0.000 0.961 502 E CA 1.037 57.455 56.400 0.030 0.000 0.945 502 E CB 0.289 30.016 29.700 0.044 0.000 0.924 502 E HN 0.627 nan 8.360 nan 0.000 0.467 503 T N -1.458 113.099 114.554 0.005 0.000 3.337 503 T HA 0.397 4.748 4.350 0.002 0.000 0.299 503 T C 0.289 174.937 174.700 -0.087 0.000 0.998 503 T CA -0.376 61.700 62.100 -0.039 0.000 0.948 503 T CB 0.569 69.399 68.868 -0.063 0.000 1.170 503 T HN 0.366 nan 8.240 nan 0.000 0.508 504 A N 2.166 124.987 122.820 0.002 0.000 3.215 504 A HA 0.541 4.862 4.320 0.002 0.000 0.269 504 A C 0.256 177.932 177.584 0.152 0.000 1.517 504 A CA -0.659 51.424 52.037 0.076 0.000 1.221 504 A CB -0.492 18.632 19.000 0.205 0.000 1.160 504 A HN 0.498 nan 8.150 nan 0.000 0.620 505 N N -0.464 118.254 118.700 0.031 0.000 2.287 505 N HA 0.169 4.910 4.740 0.002 0.000 0.289 505 N C 0.505 176.118 175.510 0.172 0.000 1.066 505 N CA -0.216 52.922 53.050 0.147 0.000 0.841 505 N CB 1.974 40.519 38.487 0.097 0.000 1.599 505 N HN 0.034 nan 8.380 nan 0.000 0.476 506 S N 1.213 117.128 115.700 0.358 0.000 2.383 506 S HA -0.096 4.375 4.470 0.002 0.000 0.229 506 S C 1.815 176.674 174.600 0.432 0.000 1.030 506 S CA 1.169 59.669 58.200 0.500 0.000 1.002 506 S CB 0.054 63.577 63.200 0.538 0.000 0.829 506 S HN 0.478 nan 8.310 nan 0.000 0.467 507 V N 0.790 120.846 119.914 0.238 0.000 2.358 507 V HA -0.107 4.014 4.120 0.002 0.000 0.246 507 V C 2.516 178.699 176.094 0.149 0.000 1.047 507 V CA 1.856 64.248 62.300 0.152 0.000 1.035 507 V CB -0.776 31.101 31.823 0.090 0.000 0.658 507 V HN 0.515 nan 8.190 nan 0.000 0.452 508 S N -0.993 114.769 115.700 0.103 0.000 2.355 508 S HA -0.245 4.226 4.470 0.002 0.000 0.222 508 S C 2.160 176.778 174.600 0.029 0.000 1.031 508 S CA 1.831 60.059 58.200 0.046 0.000 0.993 508 S CB -0.623 62.582 63.200 0.008 0.000 0.859 508 S HN 0.723 nan 8.310 nan 0.000 0.453 509 C N 0.556 119.861 119.300 0.007 0.000 2.413 509 C HA -0.077 4.384 4.460 0.002 0.000 0.277 509 C C 2.293 177.369 174.990 0.144 0.000 1.265 509 C CA 1.179 60.181 59.018 -0.027 0.000 1.752 509 C CB -1.902 25.709 27.740 -0.215 0.000 1.998 509 C HN 0.742 nan 8.230 nan 0.000 0.489 510 Y N 1.308 121.686 120.300 0.129 0.000 2.207 510 Y HA -0.156 4.395 4.550 0.002 0.000 0.287 510 Y C 2.426 178.263 175.900 -0.105 0.000 1.156 510 Y CA 2.408 60.444 58.100 -0.106 0.000 1.182 510 Y CB -0.452 37.821 38.460 -0.312 0.000 0.979 510 Y HN 0.324 nan 8.280 nan 0.000 0.521 511 M N -0.736 118.899 119.600 0.059 0.000 2.080 511 M HA -0.263 4.218 4.480 0.002 0.000 0.260 511 M C 2.398 178.656 176.300 -0.069 0.000 1.068 511 M CA 2.034 57.332 55.300 -0.004 0.000 1.109 511 M CB -0.414 32.200 32.600 0.022 0.000 1.342 511 M HN 0.113 nan 8.290 nan 0.000 0.405 512 R N -0.144 120.318 120.500 -0.064 0.000 2.148 512 R HA -0.103 4.238 4.340 0.002 0.000 0.227 512 R C 1.547 177.783 176.300 -0.107 0.000 1.103 512 R CA 1.665 57.718 56.100 -0.078 0.000 0.983 512 R CB -0.100 30.153 30.300 -0.079 0.000 0.874 512 R HN 0.326 nan 8.270 nan 0.000 0.451 513 T N 0.182 114.645 114.554 -0.151 0.000 3.014 513 T HA 0.085 4.436 4.350 0.002 0.000 0.263 513 T C 1.228 175.780 174.700 -0.247 0.000 1.078 513 T CA 0.585 62.572 62.100 -0.187 0.000 1.135 513 T CB 0.224 68.974 68.868 -0.196 0.000 0.895 513 T HN 0.065 nan 8.240 nan 0.000 0.480 514 K N 0.573 120.784 120.400 -0.315 0.000 2.387 514 K HA 0.316 4.637 4.320 0.002 0.000 0.203 514 K C 1.274 177.786 176.600 -0.147 0.000 1.030 514 K CA 0.113 56.237 56.287 -0.272 0.000 1.099 514 K CB 0.495 32.754 32.500 -0.401 0.000 0.863 514 K HN 0.368 nan 8.250 nan 0.000 0.529 515 G N 3.095 111.826 108.800 -0.114 0.000 2.361 515 G HA2 -0.273 3.688 3.960 0.002 0.000 0.294 515 G HA3 -0.273 3.688 3.960 0.002 0.000 0.294 515 G C 0.309 175.179 174.900 -0.050 0.000 1.004 515 G CA 1.085 46.143 45.100 -0.070 0.000 0.870 515 G HN 0.496 nan 8.290 nan 0.000 0.510 516 I N -2.860 117.682 120.570 -0.045 0.000 2.982 516 I HA 0.848 5.019 4.170 0.002 0.000 0.312 516 I C 0.801 176.919 176.117 0.002 0.000 1.041 516 I CA -0.680 60.611 61.300 -0.015 0.000 1.053 516 I CB 1.746 39.746 38.000 0.000 0.000 1.248 516 I HN 0.221 nan 8.210 nan 0.000 0.471 517 S N 0.818 116.524 115.700 0.010 0.000 2.626 517 S HA 0.098 4.569 4.470 0.002 0.000 0.257 517 S C 0.867 175.483 174.600 0.027 0.000 1.288 517 S CA 0.098 58.307 58.200 0.015 0.000 0.980 517 S CB 1.008 64.215 63.200 0.012 0.000 0.975 517 S HN 0.894 nan 8.310 nan 0.000 0.577 518 E N 0.375 120.590 120.200 0.025 0.000 2.046 518 E HA -0.165 4.186 4.350 0.002 0.000 0.190 518 E C 1.663 178.280 176.600 0.028 0.000 0.982 518 E CA 1.220 57.639 56.400 0.031 0.000 0.800 518 E CB -0.231 29.486 29.700 0.029 0.000 0.756 518 E HN 0.743 nan 8.360 nan 0.000 0.449 519 E N 0.871 121.085 120.200 0.023 0.000 2.085 519 E HA -0.182 4.169 4.350 0.002 0.000 0.194 519 E C 2.021 178.632 176.600 0.017 0.000 0.994 519 E CA 0.731 57.143 56.400 0.020 0.000 0.801 519 E CB -0.228 29.483 29.700 0.018 0.000 0.743 519 E HN 0.226 nan 8.360 nan 0.000 0.453 520 L N 0.151 121.386 121.223 0.021 0.000 2.017 520 L HA -0.110 4.231 4.340 0.002 0.000 0.208 520 L C 2.215 179.102 176.870 0.028 0.000 1.073 520 L CA 1.857 56.712 54.840 0.025 0.000 0.745 520 L CB -1.232 40.845 42.059 0.030 0.000 0.894 520 L HN 0.188 nan 8.230 nan 0.000 0.432 521 A N -0.930 121.919 122.820 0.048 0.000 1.930 521 A HA -0.180 4.141 4.320 0.002 0.000 0.217 521 A C 2.286 179.820 177.584 -0.084 0.000 1.175 521 A CA 2.101 54.164 52.037 0.045 0.000 0.627 521 A CB -0.762 18.309 19.000 0.119 0.000 0.815 521 A HN 0.429 nan 8.150 nan 0.000 0.443 522 T N 0.099 114.636 114.554 -0.028 0.000 2.720 522 T HA -0.160 4.191 4.350 0.002 0.000 0.268 522 T C 1.738 176.411 174.700 -0.045 0.000 1.037 522 T CA 1.744 63.828 62.100 -0.026 0.000 1.144 522 T CB -0.277 68.598 68.868 0.012 0.000 0.864 522 T HN 0.665 nan 8.240 nan 0.000 0.444 523 E N 0.748 120.927 120.200 -0.035 0.000 2.110 523 E HA -0.074 4.277 4.350 0.002 0.000 0.193 523 E C 2.598 179.151 176.600 -0.078 0.000 0.988 523 E CA 1.004 57.386 56.400 -0.031 0.000 0.804 523 E CB -0.087 29.606 29.700 -0.012 0.000 0.745 523 E HN 0.311 nan 8.360 nan 0.000 0.458 524 S N 0.357 115.968 115.700 -0.148 0.000 2.353 524 S HA -0.155 4.316 4.470 0.002 0.000 0.222 524 S C 2.206 176.604 174.600 -0.337 0.000 1.035 524 S CA 1.076 59.111 58.200 -0.275 0.000 1.025 524 S CB -0.243 62.657 63.200 -0.501 0.000 0.902 524 S HN 0.072 nan 8.310 nan 0.000 0.440 525 V N 2.606 122.295 119.914 -0.374 0.000 2.324 525 V HA -0.250 3.871 4.120 0.002 0.000 0.250 525 V C 2.418 178.468 176.094 -0.074 0.000 1.060 525 V CA 1.607 63.761 62.300 -0.243 0.000 1.042 525 V CB -0.673 31.069 31.823 -0.136 0.000 0.650 525 V HN 0.459 nan 8.190 nan 0.000 0.450 526 M N 0.115 119.698 119.600 -0.029 0.000 2.108 526 M HA -0.150 4.331 4.480 0.002 0.000 0.261 526 M C 2.053 178.384 176.300 0.051 0.000 1.066 526 M CA 1.643 56.972 55.300 0.048 0.000 1.107 526 M CB -1.599 31.029 32.600 0.047 0.000 1.356 526 M HN 0.441 nan 8.290 nan 0.000 0.406 527 N N 0.629 119.328 118.700 -0.002 0.000 2.244 527 N HA -0.103 4.639 4.740 0.002 0.000 0.183 527 N C 1.768 177.291 175.510 0.022 0.000 1.016 527 N CA 0.822 53.878 53.050 0.009 0.000 0.866 527 N CB -0.458 38.019 38.487 -0.017 0.000 0.980 527 N HN 0.238 nan 8.380 nan 0.000 0.430 528 L N 1.333 122.543 121.223 -0.022 0.000 2.141 528 L HA 0.054 4.395 4.340 0.002 0.000 0.209 528 L C 1.882 178.805 176.870 0.089 0.000 1.094 528 L CA 1.085 55.920 54.840 -0.008 0.000 0.763 528 L CB -0.395 41.595 42.059 -0.115 0.000 0.908 528 L HN 0.067 nan 8.230 nan 0.000 0.437 529 I N -0.614 120.039 120.570 0.139 0.000 2.163 529 I HA -0.240 3.931 4.170 0.002 0.000 0.240 529 I C 1.953 178.286 176.117 0.361 0.000 1.081 529 I CA 1.266 62.728 61.300 0.270 0.000 1.353 529 I CB -0.516 37.685 38.000 0.337 0.000 1.054 529 I HN 0.225 nan 8.210 nan 0.000 0.407 530 D N 0.714 121.280 120.400 0.276 0.000 2.182 530 D HA -0.173 4.468 4.640 0.002 0.000 0.201 530 D C 2.087 178.523 176.300 0.226 0.000 0.986 530 D CA 1.034 55.188 54.000 0.256 0.000 0.847 530 D CB -0.201 40.669 40.800 0.118 0.000 0.942 530 D HN 0.310 nan 8.370 nan 0.000 0.467 531 E N 0.028 120.324 120.200 0.159 0.000 2.107 531 E HA -0.057 4.294 4.350 0.002 0.000 0.191 531 E C 2.100 178.778 176.600 0.130 0.000 0.982 531 E CA 0.704 57.176 56.400 0.121 0.000 0.809 531 E CB -0.373 29.374 29.700 0.079 0.000 0.756 531 E HN 0.254 nan 8.360 nan 0.000 0.459 532 T N -0.100 114.535 114.554 0.136 0.000 2.821 532 T HA -0.137 4.214 4.350 0.002 0.000 0.267 532 T C 1.502 176.219 174.700 0.028 0.000 1.046 532 T CA 0.847 62.978 62.100 0.052 0.000 1.139 532 T CB -0.362 68.517 68.868 0.019 0.000 0.871 532 T HN 0.288 nan 8.240 nan 0.000 0.454 533 W N 1.827 123.183 121.300 0.094 0.000 2.374 533 W HA 0.006 4.667 4.660 0.002 0.000 0.288 533 W C 2.360 178.933 176.519 0.091 0.000 1.218 533 W CA 0.649 58.059 57.345 0.108 0.000 1.245 533 W CB -0.050 29.501 29.460 0.152 0.000 1.126 533 W HN 0.204 nan 8.180 nan 0.000 0.545 534 K N 0.057 120.626 120.400 0.280 0.000 2.155 534 K HA -0.120 4.201 4.320 0.002 0.000 0.203 534 K C 1.780 178.453 176.600 0.121 0.000 1.052 534 K CA 1.247 57.642 56.287 0.180 0.000 0.948 534 K CB -0.164 32.410 32.500 0.124 0.000 0.728 534 K HN 0.084 nan 8.250 nan 0.000 0.448 535 K N 0.443 120.892 120.400 0.081 0.000 2.062 535 K HA 0.007 4.328 4.320 0.002 0.000 0.205 535 K C 2.118 178.727 176.600 0.016 0.000 1.051 535 K CA 1.229 57.537 56.287 0.034 0.000 0.941 535 K CB -0.016 32.484 32.500 0.000 0.000 0.719 535 K HN 0.065 nan 8.250 nan 0.000 0.440 536 M N 1.190 120.778 119.600 -0.018 0.000 2.108 536 M HA -0.184 4.297 4.480 0.002 0.000 0.261 536 M C 1.612 177.939 176.300 0.045 0.000 1.066 536 M CA 1.335 56.602 55.300 -0.054 0.000 1.107 536 M CB -0.560 31.922 32.600 -0.197 0.000 1.356 536 M HN 0.130 nan 8.290 nan 0.000 0.406 537 N N 0.788 119.575 118.700 0.145 0.000 2.094 537 N HA -0.189 4.552 4.740 0.002 0.000 0.191 537 N C 1.573 177.138 175.510 0.093 0.000 1.023 537 N CA 1.330 54.481 53.050 0.169 0.000 0.857 537 N CB -0.448 38.156 38.487 0.195 0.000 1.013 537 N HN 0.421 nan 8.380 nan 0.000 0.426 538 K N 0.970 121.415 120.400 0.074 0.000 2.148 538 K HA -0.141 4.180 4.320 0.002 0.000 0.204 538 K C 1.742 178.368 176.600 0.043 0.000 1.050 538 K CA 1.092 57.411 56.287 0.053 0.000 0.942 538 K CB 0.054 32.584 32.500 0.050 0.000 0.724 538 K HN -0.019 nan 8.250 nan 0.000 0.446 539 E N 0.914 121.136 120.200 0.038 0.000 2.150 539 E HA -0.184 4.167 4.350 0.002 0.000 0.193 539 E C 1.688 178.306 176.600 0.030 0.000 0.985 539 E CA 1.314 57.737 56.400 0.037 0.000 0.814 539 E CB 0.076 29.786 29.700 0.018 0.000 0.752 539 E HN 0.112 nan 8.360 nan 0.000 0.466 540 K N -0.230 120.186 120.400 0.027 0.000 2.186 540 K HA 0.097 4.418 4.320 0.002 0.000 0.202 540 K C 1.952 178.564 176.600 0.020 0.000 1.052 540 K CA 0.668 56.969 56.287 0.023 0.000 0.965 540 K CB -0.299 32.225 32.500 0.040 0.000 0.746 540 K HN 0.216 nan 8.250 nan 0.000 0.457 541 L N -0.794 120.443 121.223 0.023 0.000 2.017 541 L HA 0.033 4.374 4.340 0.002 0.000 0.208 541 L C 0.979 177.847 176.870 -0.004 0.000 1.073 541 L CA 1.183 56.025 54.840 0.005 0.000 0.745 541 L CB -0.090 41.975 42.059 0.010 0.000 0.894 541 L HN 0.418 nan 8.230 nan 0.000 0.432 542 G N -3.955 104.850 108.800 0.009 0.000 2.441 542 G HA2 0.396 4.357 3.960 0.002 0.000 0.294 542 G HA3 0.396 4.357 3.960 0.002 0.000 0.294 542 G C -0.141 174.772 174.900 0.020 0.000 1.393 542 G CA -0.157 44.947 45.100 0.006 0.000 0.796 542 G HN 0.258 nan 8.290 nan 0.000 0.494 543 G N -1.200 107.610 108.800 0.017 0.000 2.298 543 G HA2 0.197 4.158 3.960 0.002 0.000 0.287 543 G HA3 0.197 4.158 3.960 0.002 0.000 0.287 543 G C 0.266 175.195 174.900 0.049 0.000 1.075 543 G CA 1.299 46.415 45.100 0.027 0.000 0.960 543 G HN 1.773 nan 8.290 nan 0.000 0.502 544 S N -1.348 114.382 115.700 0.050 0.000 2.566 544 S HA 0.661 5.132 4.470 0.002 0.000 0.298 544 S C 1.084 175.709 174.600 0.041 0.000 1.083 544 S CA -0.124 58.127 58.200 0.085 0.000 0.978 544 S CB 1.545 64.810 63.200 0.109 0.000 1.073 544 S HN 1.246 nan 8.310 nan 0.000 0.491 545 L N 3.660 124.896 121.223 0.022 0.000 2.240 545 L HA 0.497 4.838 4.340 0.002 0.000 0.211 545 L C -0.358 176.311 176.870 -0.334 0.000 1.106 545 L CA 1.372 56.098 54.840 -0.191 0.000 0.793 545 L CB -0.367 41.502 42.059 -0.317 0.000 0.927 545 L HN 0.604 nan 8.230 nan 0.000 0.446 546 F N 0.271 120.175 119.950 -0.077 0.000 2.403 546 F HA 0.616 5.144 4.527 0.002 0.000 0.326 546 F C 0.958 176.760 175.800 0.003 0.000 1.081 546 F CA -0.591 57.391 58.000 -0.030 0.000 1.041 546 F CB 0.479 39.503 39.000 0.039 0.000 1.234 546 F HN -0.107 nan 8.300 nan 0.000 0.503 547 A N 1.868 124.815 122.820 0.212 0.000 2.425 547 A HA 0.268 4.589 4.320 0.002 0.000 0.249 547 A C 1.236 178.899 177.584 0.131 0.000 1.084 547 A CA -0.587 51.522 52.037 0.120 0.000 0.781 547 A CB 0.451 19.497 19.000 0.077 0.000 1.019 547 A HN 0.879 nan 8.150 nan 0.000 0.490 548 K N 1.895 122.340 120.400 0.074 0.000 2.097 548 K HA -0.183 4.138 4.320 0.002 0.000 0.214 548 K C -1.022 175.601 176.600 0.039 0.000 1.052 548 K CA 2.795 59.111 56.287 0.048 0.000 0.932 548 K CB -1.357 31.162 32.500 0.031 0.000 0.716 548 K HN 0.585 nan 8.250 nan 0.000 0.455 549 P HA -0.183 nan 4.420 nan 0.000 0.216 549 P C 1.242 178.542 177.300 0.001 0.000 1.157 549 P CA 1.199 64.325 63.100 0.043 0.000 0.880 549 P CB -0.050 31.697 31.700 0.078 0.000 0.791 550 F N -0.579 119.321 119.950 -0.082 0.000 2.325 550 F HA -0.117 4.411 4.527 0.002 0.000 0.299 550 F C 1.826 177.525 175.800 -0.169 0.000 1.090 550 F CA 0.804 58.720 58.000 -0.140 0.000 1.392 550 F CB -0.286 38.659 39.000 -0.092 0.000 1.053 550 F HN -0.306 nan 8.300 nan 0.000 0.521 551 V N 0.282 120.081 119.914 -0.192 0.000 2.358 551 V HA -0.265 3.856 4.120 0.002 0.000 0.246 551 V C 2.275 178.191 176.094 -0.296 0.000 1.047 551 V CA 2.115 64.253 62.300 -0.271 0.000 1.035 551 V CB -0.606 31.165 31.823 -0.088 0.000 0.658 551 V HN 0.297 nan 8.190 nan 0.000 0.452 552 E N 0.466 120.551 120.200 -0.191 0.000 2.110 552 E HA -0.188 4.163 4.350 0.002 0.000 0.193 552 E C 2.141 178.595 176.600 -0.243 0.000 0.988 552 E CA 2.000 58.307 56.400 -0.154 0.000 0.804 552 E CB -0.448 29.213 29.700 -0.065 0.000 0.745 552 E HN 0.593 nan 8.360 nan 0.000 0.458 553 T N 0.254 114.596 114.554 -0.353 0.000 2.652 553 T HA -0.199 4.152 4.350 0.002 0.000 0.267 553 T C 1.842 176.255 174.700 -0.479 0.000 1.039 553 T CA 1.830 63.675 62.100 -0.425 0.000 1.153 553 T CB -0.692 67.861 68.868 -0.524 0.000 0.863 553 T HN 0.378 nan 8.240 nan 0.000 0.428 554 A N 1.175 123.592 122.820 -0.671 0.000 1.883 554 A HA -0.079 4.243 4.320 0.002 0.000 0.217 554 A C 2.320 179.664 177.584 -0.400 0.000 1.186 554 A CA 1.491 53.191 52.037 -0.562 0.000 0.624 554 A CB -0.943 17.666 19.000 -0.652 0.000 0.822 554 A HN 0.545 nan 8.150 nan 0.000 0.444 555 I N 0.237 120.591 120.570 -0.360 0.000 2.264 555 I HA -0.290 3.881 4.170 0.002 0.000 0.248 555 I C 1.889 177.851 176.117 -0.258 0.000 1.111 555 I CA 1.157 62.266 61.300 -0.319 0.000 1.382 555 I CB -0.503 37.368 38.000 -0.214 0.000 1.060 555 I HN 0.338 nan 8.210 nan 0.000 0.418 556 N N 0.888 119.446 118.700 -0.237 0.000 2.289 556 N HA -0.183 4.558 4.740 0.002 0.000 0.184 556 N C 1.874 177.195 175.510 -0.315 0.000 1.016 556 N CA 1.090 54.008 53.050 -0.218 0.000 0.872 556 N CB -0.356 38.009 38.487 -0.204 0.000 0.973 556 N HN 0.371 nan 8.380 nan 0.000 0.433 557 L N 0.544 121.558 121.223 -0.349 0.000 2.141 557 L HA -0.052 4.289 4.340 0.002 0.000 0.209 557 L C 2.084 178.730 176.870 -0.374 0.000 1.094 557 L CA 1.112 55.697 54.840 -0.425 0.000 0.763 557 L CB -0.208 41.678 42.059 -0.290 0.000 0.908 557 L HN 0.072 nan 8.230 nan 0.000 0.437 558 A N -0.039 122.624 122.820 -0.261 0.000 1.898 558 A HA -0.191 4.130 4.320 0.002 0.000 0.216 558 A C 2.323 179.945 177.584 0.064 0.000 1.181 558 A CA 1.554 53.501 52.037 -0.151 0.000 0.620 558 A CB -0.469 18.301 19.000 -0.383 0.000 0.819 558 A HN 0.453 nan 8.150 nan 0.000 0.442 559 R N -1.059 119.487 120.500 0.077 0.000 2.083 559 R HA -0.186 4.155 4.340 0.002 0.000 0.237 559 R C 2.502 178.765 176.300 -0.062 0.000 1.137 559 R CA 1.772 57.948 56.100 0.127 0.000 0.951 559 R CB -0.291 30.015 30.300 0.009 0.000 0.851 559 R HN 0.597 nan 8.270 nan 0.000 0.434 560 Q N 0.365 119.956 119.800 -0.349 0.000 2.124 560 Q HA -0.105 4.236 4.340 0.002 0.000 0.202 560 Q C 1.905 177.680 176.000 -0.375 0.000 0.977 560 Q CA 2.038 57.497 55.803 -0.573 0.000 0.850 560 Q CB -0.102 27.868 28.738 -1.279 0.000 0.901 560 Q HN 0.174 nan 8.270 nan 0.000 0.429 561 S N -0.243 115.292 115.700 -0.276 0.000 2.359 561 S HA -0.187 4.284 4.470 0.002 0.000 0.224 561 S C 1.679 176.432 174.600 0.254 0.000 1.035 561 S CA 1.325 59.638 58.200 0.188 0.000 1.018 561 S CB -0.518 62.829 63.200 0.244 0.000 0.876 561 S HN 0.541 nan 8.310 nan 0.000 0.448 562 H N -0.207 118.994 119.070 0.219 0.000 2.421 562 H HA 0.002 4.560 4.556 0.002 0.000 0.298 562 H C 2.297 177.728 175.328 0.172 0.000 1.087 562 H CA 1.188 57.362 56.048 0.210 0.000 1.330 562 H CB -0.384 29.463 29.762 0.140 0.000 1.388 562 H HN 0.433 nan 8.280 nan 0.000 0.526 563 C N 0.050 119.482 119.300 0.220 0.000 2.507 563 C HA -0.042 4.419 4.460 0.002 0.000 0.280 563 C C 2.934 178.097 174.990 0.289 0.000 1.345 563 C CA 1.205 60.337 59.018 0.190 0.000 1.736 563 C CB -0.683 27.104 27.740 0.078 0.000 2.060 563 C HN 0.725 nan 8.230 nan 0.000 0.498 564 T N -2.211 112.461 114.554 0.197 0.000 2.942 564 T HA -0.046 4.305 4.350 0.002 0.000 0.265 564 T C 0.286 174.900 174.700 -0.144 0.000 1.062 564 T CA 0.934 63.100 62.100 0.110 0.000 1.139 564 T CB -0.445 68.464 68.868 0.069 0.000 0.883 564 T HN 0.417 nan 8.240 nan 0.000 0.468 565 Y N 4.269 124.708 120.300 0.231 0.000 2.404 565 Y HA 0.481 5.032 4.550 0.002 0.000 0.344 565 Y C 0.894 176.868 175.900 0.124 0.000 0.970 565 Y CA -1.547 56.617 58.100 0.106 0.000 1.180 565 Y CB 0.220 38.797 38.460 0.195 0.000 1.138 565 Y HN 0.430 nan 8.280 nan 0.000 0.510 566 H N -0.227 119.003 119.070 0.267 0.000 2.984 566 H HA 0.500 5.057 4.556 0.002 0.000 0.277 566 H C -1.158 174.266 175.328 0.159 0.000 1.502 566 H CA -1.158 55.005 56.048 0.190 0.000 1.195 566 H CB 1.413 31.258 29.762 0.138 0.000 1.866 566 H HN 0.340 nan 8.280 nan 0.000 0.594 567 N N -0.214 118.686 118.700 0.333 0.000 2.588 567 N HA 0.275 5.016 4.740 0.002 0.000 0.298 567 N C 0.240 175.881 175.510 0.218 0.000 1.718 567 N CA 0.678 53.861 53.050 0.223 0.000 0.888 567 N CB 1.628 40.206 38.487 0.151 0.000 1.389 567 N HN 1.033 nan 8.380 nan 0.000 0.491 573 S N 1.312 117.039 115.700 0.045 0.000 2.580 573 S HA 0.383 4.854 4.470 0.002 0.000 0.274 573 S C -1.568 173.086 174.600 0.090 0.000 1.329 573 S CA -1.346 56.891 58.200 0.061 0.000 1.036 573 S CB 0.657 63.889 63.200 0.053 0.000 0.919 573 S HN 0.375 nan 8.310 nan 0.000 0.515 574 P HA -0.091 nan 4.420 nan 0.000 0.213 574 P C 0.544 177.962 177.300 0.195 0.000 1.170 574 P CA 1.457 64.684 63.100 0.213 0.000 0.902 574 P CB -0.043 31.761 31.700 0.172 0.000 0.789 575 D N -0.903 119.565 120.400 0.114 0.000 2.182 575 D HA -0.172 4.469 4.640 0.002 0.000 0.201 575 D C 1.908 178.252 176.300 0.073 0.000 0.986 575 D CA 0.965 55.013 54.000 0.080 0.000 0.847 575 D CB -0.583 40.249 40.800 0.054 0.000 0.942 575 D HN 0.176 nan 8.370 nan 0.000 0.467 576 E N -0.060 120.182 120.200 0.070 0.000 2.152 576 E HA -0.080 4.271 4.350 0.002 0.000 0.192 576 E C 2.007 178.637 176.600 0.051 0.000 0.983 576 E CA 0.152 56.583 56.400 0.051 0.000 0.818 576 E CB -0.193 29.532 29.700 0.043 0.000 0.758 576 E HN 0.235 nan 8.360 nan 0.000 0.467 577 L N 0.932 122.197 121.223 0.071 0.000 2.017 577 L HA -0.146 4.195 4.340 0.002 0.000 0.208 577 L C 2.215 179.118 176.870 0.054 0.000 1.073 577 L CA 1.861 56.717 54.840 0.027 0.000 0.745 577 L CB -0.966 41.035 42.059 -0.095 0.000 0.894 577 L HN 0.056 nan 8.230 nan 0.000 0.432 578 T N -0.616 114.021 114.554 0.139 0.000 2.708 578 T HA -0.194 4.157 4.350 0.002 0.000 0.266 578 T C 2.015 176.668 174.700 -0.079 0.000 1.037 578 T CA 1.572 63.702 62.100 0.050 0.000 1.146 578 T CB -0.211 68.680 68.868 0.039 0.000 0.865 578 T HN 0.302 nan 8.240 nan 0.000 0.435 579 R N 0.995 121.476 120.500 -0.032 0.000 2.080 579 R HA -0.069 4.272 4.340 0.002 0.000 0.236 579 R C 2.650 178.933 176.300 -0.027 0.000 1.137 579 R CA 1.474 57.550 56.100 -0.040 0.000 0.943 579 R CB -0.212 30.085 30.300 -0.005 0.000 0.846 579 R HN 0.382 nan 8.270 nan 0.000 0.431 580 K N 0.207 120.609 120.400 0.004 0.000 2.074 580 K HA -0.182 4.139 4.320 0.002 0.000 0.209 580 K C 2.229 178.853 176.600 0.041 0.000 1.048 580 K CA 1.511 57.814 56.287 0.026 0.000 0.926 580 K CB -0.154 32.367 32.500 0.036 0.000 0.713 580 K HN 0.180 nan 8.250 nan 0.000 0.444 581 R N 0.472 120.989 120.500 0.028 0.000 2.073 581 R HA -0.114 4.227 4.340 0.002 0.000 0.234 581 R C 2.358 178.712 176.300 0.091 0.000 1.134 581 R CA 1.442 57.596 56.100 0.090 0.000 0.952 581 R CB -0.592 29.779 30.300 0.119 0.000 0.850 581 R HN 0.020 nan 8.270 nan 0.000 0.433 582 V N 1.751 121.574 119.914 -0.152 0.000 2.332 582 V HA -0.245 3.876 4.120 0.002 0.000 0.248 582 V C 2.355 178.507 176.094 0.096 0.000 1.055 582 V CA 1.683 63.912 62.300 -0.120 0.000 1.038 582 V CB -0.488 31.180 31.823 -0.258 0.000 0.651 582 V HN 0.281 nan 8.190 nan 0.000 0.450 583 L N 0.841 122.104 121.223 0.068 0.000 2.046 583 L HA -0.161 4.180 4.340 0.002 0.000 0.208 583 L C 2.678 179.638 176.870 0.150 0.000 1.077 583 L CA 1.958 56.857 54.840 0.098 0.000 0.747 583 L CB -0.668 41.431 42.059 0.067 0.000 0.896 583 L HN 0.565 nan 8.230 nan 0.000 0.432 584 S N -1.473 114.326 115.700 0.165 0.000 2.481 584 S HA -0.054 4.417 4.470 0.002 0.000 0.231 584 S C 1.684 176.485 174.600 0.335 0.000 0.996 584 S CA 0.722 59.045 58.200 0.206 0.000 0.942 584 S CB -0.176 63.122 63.200 0.164 0.000 0.768 584 S HN 0.178 nan 8.310 nan 0.000 0.520 585 V N 0.655 120.779 119.914 0.349 0.000 2.575 585 V HA 0.260 4.381 4.120 0.002 0.000 0.242 585 V C 2.059 178.387 176.094 0.388 0.000 1.045 585 V CA 1.052 63.600 62.300 0.414 0.000 1.065 585 V CB -0.278 31.807 31.823 0.437 0.000 0.717 585 V HN 0.464 nan 8.190 nan 0.000 0.467 586 I N -0.992 119.780 120.570 0.336 0.000 3.366 586 I HA -0.007 4.164 4.170 0.002 0.000 0.267 586 I C 2.255 178.500 176.117 0.214 0.000 1.149 586 I CA 0.901 62.389 61.300 0.315 0.000 1.436 586 I CB -0.182 38.001 38.000 0.306 0.000 1.379 586 I HN 0.216 nan 8.210 nan 0.000 0.460 587 T N -0.006 114.651 114.554 0.171 0.000 2.739 587 T HA 0.028 4.379 4.350 0.002 0.000 0.246 587 T C 0.585 175.356 174.700 0.118 0.000 1.058 587 T CA 0.449 62.622 62.100 0.122 0.000 1.184 587 T CB -0.421 68.503 68.868 0.093 0.000 0.887 587 T HN 0.175 nan 8.240 nan 0.000 0.408 588 E N 3.058 123.331 120.200 0.122 0.000 2.299 588 E HA 0.181 4.532 4.350 0.002 0.000 0.272 588 E C -2.459 174.230 176.600 0.148 0.000 1.043 588 E CA -1.516 54.952 56.400 0.113 0.000 0.895 588 E CB 0.534 30.290 29.700 0.093 0.000 1.011 588 E HN 0.273 nan 8.360 nan 0.000 0.432 589 P HA 0.129 nan 4.420 nan 0.000 0.276 589 P C -0.280 177.099 177.300 0.132 0.000 1.261 589 P CA -0.312 62.881 63.100 0.156 0.000 0.800 589 P CB 0.737 32.500 31.700 0.105 0.000 1.066 590 I N 0.884 121.540 120.570 0.142 0.000 2.472 590 I HA 0.124 4.295 4.170 0.002 0.000 0.290 590 I C 0.506 176.662 176.117 0.064 0.000 1.016 590 I CA -0.657 60.677 61.300 0.056 0.000 1.348 590 I CB 0.314 38.305 38.000 -0.015 0.000 1.417 590 I HN 0.106 nan 8.210 nan 0.000 0.521 591 L N 7.341 128.588 121.223 0.040 0.000 2.540 591 L HA 0.063 4.404 4.340 0.002 0.000 0.276 591 L C -1.954 174.961 176.870 0.076 0.000 1.212 591 L CA -1.298 53.569 54.840 0.046 0.000 0.893 591 L CB -0.577 41.495 42.059 0.022 0.000 1.138 591 L HN 0.338 nan 8.230 nan 0.000 0.491 592 P HA -0.123 nan 4.420 nan 0.000 0.271 592 P C -0.618 176.780 177.300 0.164 0.000 1.233 592 P CA -0.167 63.014 63.100 0.135 0.000 0.795 592 P CB 0.321 32.089 31.700 0.113 0.000 0.936 593 F N 1.236 121.214 119.950 0.046 0.000 2.412 593 F HA 0.237 4.765 4.527 0.002 0.000 0.348 593 F C 0.345 176.156 175.800 0.018 0.000 1.102 593 F CA -0.138 57.881 58.000 0.032 0.000 1.196 593 F CB 0.310 39.336 39.000 0.043 0.000 1.144 593 F HN 0.211 nan 8.300 nan 0.000 0.541 594 E N 6.445 126.189 120.200 -0.761 0.000 2.218 594 E HA 0.325 4.676 4.350 0.002 0.000 0.263 594 E C -0.921 175.147 176.600 -0.888 0.000 0.879 594 E CA -0.800 55.214 56.400 -0.643 0.000 0.762 594 E CB 1.891 31.414 29.700 -0.295 0.000 1.166 594 E HN 0.725 nan 8.360 nan 0.000 0.415 595 R N 0.000 120.072 120.500 -0.713 0.000 2.786 595 R HA 0.000 4.341 4.340 0.002 0.000 0.208 595 R CA 0.000 55.831 56.100 -0.449 0.000 0.921 595 R CB 0.000 30.113 30.300 -0.311 0.000 0.687 595 R HN 0.000 nan 8.270 nan 0.000 0.535