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 2bvm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSLVNRKQLE KMANVRFRTQ EDEYVAILDA LEEYHNMSEN TVVEKYLKLK DATA SEQUENCE DINSLTDICI DTYKKSGRNK ALKKFKEYLV TEVLELKNNN LTPVEKNLHF DATA SEQUENCE VWIGGQINDT AINYINQWKD VNSDYNVNVF YDSNAFLINT LKKTVVESAI DATA SEQUENCE NDTLESFREN LNDPRFDYNK FFRKRMEIIY DKQKNFINYY KAQREENPEL DATA SEQUENCE IIDDIVKTYL SNEYSKEIDE LNTYIEESLN KITQNSGNDV RNFGEFKNGE DATA SEQUENCE SFNLYEQELV ERWNLAAASD ILRISALKEI GGMYLDVDML PGIQPDLFES DATA SEQUENCE IEKPSSVTVD FWEMTKLEAI MKYKEYIPEY TSEHFDMLDE EVQSSFESVL DATA SEQUENCE ASKSDKSEIF SSLGDMEASP LEVKIAFNSK GIINQGLISV KDSYCSNLIV DATA SEQUENCE KQIENRYKIL NNSLNPAISE DNDFNTTTNT FIDSIMAEAN ADNGRFMMEL DATA SEQUENCE GKYLRVGFFP DVKTTINLSG PEAYAAAYQD LLMFKEGSMN IHLIEADLRN DATA SEQUENCE FEISKTNISQ STEQEMASLW SFDDARAKAQ FEEYKRNYFE GA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.036 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 S N 0.960 116.691 115.700 0.051 0.000 2.641 2 S HA 0.522 4.995 4.470 0.004 0.000 0.251 2 S C -0.128 174.541 174.600 0.115 0.000 1.332 2 S CA 0.026 58.291 58.200 0.107 0.000 0.968 2 S CB 0.725 63.990 63.200 0.109 0.000 0.987 2 S HN 0.317 nan 8.310 nan 0.000 0.587 3 L N 0.578 121.938 121.223 0.227 0.000 2.341 3 L HA 0.501 4.843 4.340 0.004 0.000 0.267 3 L C -0.156 176.873 176.870 0.266 0.000 1.009 3 L CA -0.966 53.993 54.840 0.197 0.000 0.819 3 L CB 1.740 43.905 42.059 0.177 0.000 1.323 3 L HN 0.452 nan 8.230 nan 0.000 0.425 4 V N 3.611 123.629 119.914 0.172 0.000 2.963 4 V HA -0.219 3.904 4.120 0.004 0.000 0.282 4 V C 0.204 176.416 176.094 0.197 0.000 1.426 4 V CA 0.504 62.900 62.300 0.161 0.000 1.447 4 V CB -0.179 31.780 31.823 0.227 0.000 0.849 4 V HN 0.825 nan 8.190 nan 0.000 0.500 5 N N 5.260 123.986 118.700 0.043 0.000 2.347 5 N HA 0.241 4.984 4.740 0.004 0.000 0.253 5 N C 1.082 176.602 175.510 0.016 0.000 1.274 5 N CA -0.051 52.995 53.050 -0.006 0.000 0.941 5 N CB 0.156 38.589 38.487 -0.091 0.000 1.200 5 N HN 0.721 nan 8.380 nan 0.000 0.514 6 R N 0.750 121.257 120.500 0.012 0.000 2.083 6 R HA -0.080 4.262 4.340 0.004 0.000 0.237 6 R C 0.639 176.901 176.300 -0.063 0.000 1.137 6 R CA 1.616 57.697 56.100 -0.032 0.000 0.951 6 R CB 0.063 30.352 30.300 -0.019 0.000 0.851 6 R HN 0.458 nan 8.270 nan 0.000 0.434 7 K N -0.554 119.821 120.400 -0.042 0.000 2.367 7 K HA -0.003 4.319 4.320 0.004 0.000 0.194 7 K C 1.830 178.413 176.600 -0.029 0.000 1.027 7 K CA 0.082 56.348 56.287 -0.036 0.000 1.075 7 K CB 0.377 32.860 32.500 -0.028 0.000 0.845 7 K HN 0.215 nan 8.250 nan 0.000 0.529 8 Q N 0.896 120.679 119.800 -0.028 0.000 2.123 8 Q HA -0.091 4.251 4.340 0.004 0.000 0.199 8 Q C 1.980 177.975 176.000 -0.010 0.000 0.966 8 Q CA 0.914 56.709 55.803 -0.014 0.000 0.845 8 Q CB 0.159 28.892 28.738 -0.009 0.000 0.907 8 Q HN 0.203 nan 8.270 nan 0.000 0.439 9 L N 0.688 121.881 121.223 -0.050 0.000 2.109 9 L HA -0.065 4.278 4.340 0.004 0.000 0.207 9 L C 1.993 178.827 176.870 -0.060 0.000 1.086 9 L CA 1.818 56.593 54.840 -0.109 0.000 0.760 9 L CB -0.387 41.465 42.059 -0.345 0.000 0.910 9 L HN 0.242 nan 8.230 nan 0.000 0.437 10 E N -0.650 119.525 120.200 -0.041 0.000 2.204 10 E HA -0.189 4.163 4.350 0.004 0.000 0.194 10 E C 1.375 177.993 176.600 0.031 0.000 0.989 10 E CA 0.678 57.098 56.400 0.032 0.000 0.824 10 E CB 0.217 29.920 29.700 0.005 0.000 0.756 10 E HN 0.389 nan 8.360 nan 0.000 0.477 11 K N -0.170 120.231 120.400 0.002 0.000 2.361 11 K HA 0.016 4.338 4.320 0.004 0.000 0.196 11 K C 1.821 178.419 176.600 -0.004 0.000 1.039 11 K CA 0.293 56.577 56.287 -0.006 0.000 1.001 11 K CB -0.110 32.385 32.500 -0.009 0.000 0.795 11 K HN 0.247 nan 8.250 nan 0.000 0.495 12 M N 0.200 119.805 119.600 0.008 0.000 2.156 12 M HA -0.028 4.454 4.480 0.004 0.000 0.264 12 M C 1.048 177.348 176.300 0.001 0.000 1.067 12 M CA 1.354 56.666 55.300 0.020 0.000 1.131 12 M CB 0.173 32.802 32.600 0.049 0.000 1.368 12 M HN 0.007 nan 8.290 nan 0.000 0.416 13 A N 0.117 122.934 122.820 -0.005 0.000 2.842 13 A HA 0.212 4.534 4.320 0.004 0.000 0.298 13 A C -0.209 177.307 177.584 -0.113 0.000 1.293 13 A CA -0.417 51.593 52.037 -0.046 0.000 0.959 13 A CB -0.956 18.038 19.000 -0.010 0.000 1.119 13 A HN 0.525 nan 8.150 nan 0.000 0.564 14 N N 0.222 118.873 118.700 -0.082 0.000 2.415 14 N HA 0.366 5.109 4.740 0.004 0.000 0.246 14 N C -0.961 174.471 175.510 -0.130 0.000 1.078 14 N CA 0.103 53.089 53.050 -0.107 0.000 0.942 14 N CB 0.708 39.149 38.487 -0.076 0.000 1.140 14 N HN 0.014 nan 8.380 nan 0.000 0.501 15 V N 4.359 124.174 119.914 -0.165 0.000 2.370 15 V HA 0.332 4.454 4.120 0.004 0.000 0.283 15 V C 0.652 176.645 176.094 -0.169 0.000 1.023 15 V CA -0.810 61.401 62.300 -0.148 0.000 0.857 15 V CB 0.996 32.734 31.823 -0.142 0.000 0.985 15 V HN 0.670 nan 8.190 nan 0.000 0.443 16 R N 3.667 124.039 120.500 -0.213 0.000 2.583 16 R HA 0.100 4.442 4.340 0.004 0.000 0.274 16 R C 0.266 176.412 176.300 -0.257 0.000 0.998 16 R CA 0.359 56.199 56.100 -0.434 0.000 1.081 16 R CB -0.047 29.872 30.300 -0.634 0.000 0.940 16 R HN 0.699 nan 8.270 nan 0.000 0.413 17 F N -1.455 118.471 119.950 -0.040 0.000 2.871 17 F HA -0.311 4.218 4.527 0.004 0.000 0.326 17 F C 0.544 176.318 175.800 -0.044 0.000 0.675 17 F CA 1.034 59.013 58.000 -0.035 0.000 1.188 17 F CB -1.284 37.700 39.000 -0.027 0.000 1.567 17 F HN 0.577 nan 8.300 nan 0.000 0.325 18 R N 0.370 120.900 120.500 0.049 0.000 2.532 18 R HA 0.467 4.809 4.340 0.004 0.000 0.297 18 R C 0.096 176.359 176.300 -0.061 0.000 0.984 18 R CA -0.227 55.871 56.100 -0.002 0.000 0.884 18 R CB 1.820 32.103 30.300 -0.029 0.000 1.182 18 R HN 0.056 nan 8.270 nan 0.000 0.442 19 T N 1.927 116.452 114.554 -0.048 0.000 2.903 19 T HA -0.039 4.314 4.350 0.004 0.000 0.314 19 T C -0.040 174.599 174.700 -0.101 0.000 1.078 19 T CA -0.040 62.028 62.100 -0.052 0.000 1.114 19 T CB 0.531 69.384 68.868 -0.024 0.000 0.987 19 T HN 0.553 nan 8.240 nan 0.000 0.548 20 Q N 3.192 122.961 119.800 -0.051 0.000 2.361 20 Q HA 0.318 4.661 4.340 0.004 0.000 0.250 20 Q C -0.470 175.548 176.000 0.030 0.000 1.023 20 Q CA -0.726 55.071 55.803 -0.009 0.000 0.915 20 Q CB 0.508 29.347 28.738 0.169 0.000 1.238 20 Q HN 0.561 nan 8.270 nan 0.000 0.451 21 E N 2.429 122.596 120.200 -0.055 0.000 2.418 21 E HA -0.053 4.300 4.350 0.004 0.000 0.261 21 E C 0.124 176.767 176.600 0.072 0.000 1.070 21 E CA -0.232 56.146 56.400 -0.037 0.000 0.931 21 E CB 0.495 30.056 29.700 -0.232 0.000 0.954 21 E HN 0.484 nan 8.360 nan 0.000 0.439 22 D N 2.023 122.469 120.400 0.077 0.000 2.126 22 D HA -0.232 4.410 4.640 0.004 0.000 0.190 22 D C 1.631 177.974 176.300 0.072 0.000 1.001 22 D CA 1.638 55.679 54.000 0.068 0.000 0.841 22 D CB -0.102 40.737 40.800 0.065 0.000 0.949 22 D HN 0.650 nan 8.370 nan 0.000 0.446 23 E N 0.097 120.365 120.200 0.112 0.000 2.265 23 E HA -0.221 4.132 4.350 0.004 0.000 0.196 23 E C 2.179 178.845 176.600 0.110 0.000 0.996 23 E CA 0.692 57.158 56.400 0.109 0.000 0.832 23 E CB -0.831 28.959 29.700 0.151 0.000 0.756 23 E HN 0.519 nan 8.360 nan 0.000 0.491 24 Y N 2.473 122.767 120.300 -0.009 0.000 2.184 24 Y HA -0.113 4.440 4.550 0.004 0.000 0.290 24 Y C 2.270 178.145 175.900 -0.041 0.000 1.129 24 Y CA 1.209 59.285 58.100 -0.040 0.000 1.144 24 Y CB -0.231 38.177 38.460 -0.087 0.000 0.995 24 Y HN -0.136 nan 8.280 nan 0.000 0.513 25 V N 0.937 120.749 119.914 -0.170 0.000 2.594 25 V HA -0.262 3.860 4.120 0.004 0.000 0.253 25 V C 2.646 178.625 176.094 -0.192 0.000 1.069 25 V CA 1.497 63.650 62.300 -0.245 0.000 1.082 25 V CB -1.709 30.068 31.823 -0.077 0.000 0.680 25 V HN 0.562 nan 8.190 nan 0.000 0.469 26 A N 0.551 123.303 122.820 -0.114 0.000 1.969 26 A HA -0.103 4.219 4.320 0.004 0.000 0.218 26 A C 2.121 179.649 177.584 -0.095 0.000 1.169 26 A CA 1.457 53.449 52.037 -0.075 0.000 0.635 26 A CB -0.368 18.616 19.000 -0.028 0.000 0.810 26 A HN 0.414 nan 8.150 nan 0.000 0.445 27 I N 0.294 120.784 120.570 -0.134 0.000 2.127 27 I HA -0.209 3.963 4.170 0.004 0.000 0.241 27 I C 2.264 178.288 176.117 -0.154 0.000 1.075 27 I CA 1.178 62.410 61.300 -0.113 0.000 1.334 27 I CB -1.605 36.316 38.000 -0.132 0.000 1.040 27 I HN 0.179 nan 8.210 nan 0.000 0.405 28 L N 0.710 121.767 121.223 -0.277 0.000 2.046 28 L HA -0.185 4.157 4.340 0.004 0.000 0.208 28 L C 2.319 179.120 176.870 -0.114 0.000 1.077 28 L CA 1.704 56.403 54.840 -0.235 0.000 0.747 28 L CB -1.908 39.962 42.059 -0.316 0.000 0.896 28 L HN 0.204 nan 8.230 nan 0.000 0.432 29 D N 0.430 120.766 120.400 -0.108 0.000 2.103 29 D HA -0.182 4.460 4.640 0.004 0.000 0.190 29 D C 2.248 178.537 176.300 -0.017 0.000 0.997 29 D CA 1.856 55.825 54.000 -0.053 0.000 0.833 29 D CB -0.100 40.670 40.800 -0.051 0.000 0.961 29 D HN 0.286 nan 8.370 nan 0.000 0.447 30 A N 0.119 122.926 122.820 -0.021 0.000 1.972 30 A HA -0.133 4.190 4.320 0.004 0.000 0.219 30 A C 2.142 179.749 177.584 0.038 0.000 1.169 30 A CA 1.002 53.041 52.037 0.002 0.000 0.635 30 A CB -0.647 18.341 19.000 -0.020 0.000 0.810 30 A HN 0.250 nan 8.150 nan 0.000 0.446 31 L N -0.077 121.172 121.223 0.042 0.000 2.056 31 L HA -0.112 4.230 4.340 0.004 0.000 0.207 31 L C 2.285 179.271 176.870 0.193 0.000 1.078 31 L CA 2.516 57.422 54.840 0.109 0.000 0.749 31 L CB -0.541 41.580 42.059 0.102 0.000 0.901 31 L HN 0.601 nan 8.230 nan 0.000 0.433 32 E N -0.240 120.043 120.200 0.138 0.000 2.031 32 E HA -0.285 4.067 4.350 0.004 0.000 0.193 32 E C 1.955 178.644 176.600 0.149 0.000 0.994 32 E CA 1.578 58.073 56.400 0.158 0.000 0.800 32 E CB -0.198 29.545 29.700 0.071 0.000 0.752 32 E HN 0.766 nan 8.360 nan 0.000 0.447 33 E N -0.394 119.862 120.200 0.094 0.000 2.265 33 E HA -0.246 4.106 4.350 0.004 0.000 0.196 33 E C 2.002 178.643 176.600 0.068 0.000 0.996 33 E CA 0.924 57.364 56.400 0.067 0.000 0.832 33 E CB -0.605 29.122 29.700 0.044 0.000 0.756 33 E HN 0.441 nan 8.360 nan 0.000 0.491 34 Y N 2.055 122.324 120.300 -0.051 0.000 2.224 34 Y HA -0.228 4.325 4.550 0.004 0.000 0.289 34 Y C 1.968 177.769 175.900 -0.165 0.000 1.146 34 Y CA 1.939 59.959 58.100 -0.133 0.000 1.182 34 Y CB -0.186 38.145 38.460 -0.215 0.000 0.983 34 Y HN 0.106 nan 8.280 nan 0.000 0.524 35 H N -0.357 118.696 119.070 -0.028 0.000 2.555 35 H HA 0.053 4.612 4.556 0.004 0.000 0.269 35 H C 0.715 175.982 175.328 -0.100 0.000 0.988 35 H CA 0.851 56.837 56.048 -0.102 0.000 1.178 35 H CB -0.019 29.753 29.762 0.018 0.000 1.373 35 H HN 0.476 nan 8.280 nan 0.000 0.588 36 N N 0.248 118.952 118.700 0.006 0.000 2.235 36 N HA 0.065 4.807 4.740 0.004 0.000 0.209 36 N C 0.732 176.210 175.510 -0.052 0.000 1.122 36 N CA 0.052 53.096 53.050 -0.010 0.000 0.845 36 N CB 0.453 38.947 38.487 0.012 0.000 1.004 36 N HN 0.316 nan 8.380 nan 0.000 0.499 37 M N -0.235 119.289 119.600 -0.127 0.000 2.551 37 M HA 0.122 4.605 4.480 0.004 0.000 0.252 37 M C 0.774 177.004 176.300 -0.117 0.000 1.219 37 M CA 0.099 55.324 55.300 -0.125 0.000 0.978 37 M CB 0.176 32.674 32.600 -0.169 0.000 1.533 37 M HN -0.201 nan 8.290 nan 0.000 0.474 38 S N 0.820 116.464 115.700 -0.093 0.000 3.122 38 S HA 0.079 4.551 4.470 0.004 0.000 0.249 38 S C 0.629 175.210 174.600 -0.033 0.000 1.334 38 S CA 0.284 58.446 58.200 -0.064 0.000 1.251 38 S CB -0.291 62.880 63.200 -0.049 0.000 1.034 38 S HN 0.421 nan 8.310 nan 0.000 0.478 39 E N 0.201 120.385 120.200 -0.028 0.000 2.550 39 E HA 0.193 4.545 4.350 0.004 0.000 0.206 39 E C -0.179 176.418 176.600 -0.004 0.000 0.845 39 E CA -0.038 56.355 56.400 -0.011 0.000 1.461 39 E CB 0.199 29.895 29.700 -0.007 0.000 1.452 39 E HN 0.388 nan 8.360 nan 0.000 0.780 40 N N 1.322 120.017 118.700 -0.008 0.000 2.482 40 N HA 0.149 4.891 4.740 0.004 0.000 0.260 40 N C -0.220 175.302 175.510 0.019 0.000 1.236 40 N CA 0.267 53.322 53.050 0.009 0.000 0.938 40 N CB 0.726 39.219 38.487 0.009 0.000 1.128 40 N HN 0.050 nan 8.380 nan 0.000 0.448 41 T N -1.784 112.791 114.554 0.036 0.000 2.791 41 T HA -0.029 4.324 4.350 0.004 0.000 0.323 41 T C 1.450 176.186 174.700 0.060 0.000 1.082 41 T CA -0.725 61.404 62.100 0.048 0.000 1.084 41 T CB 0.290 69.195 68.868 0.061 0.000 0.992 41 T HN 0.139 nan 8.240 nan 0.000 0.547 42 V N 2.047 121.999 119.914 0.064 0.000 2.332 42 V HA -0.166 3.956 4.120 0.004 0.000 0.248 42 V C 2.820 178.977 176.094 0.104 0.000 1.055 42 V CA 1.791 64.138 62.300 0.078 0.000 1.038 42 V CB -0.827 31.035 31.823 0.066 0.000 0.651 42 V HN 0.843 nan 8.190 nan 0.000 0.450 43 V N -0.283 119.696 119.914 0.108 0.000 2.295 43 V HA -0.290 3.833 4.120 0.004 0.000 0.246 43 V C 2.392 178.581 176.094 0.158 0.000 1.049 43 V CA 2.206 64.588 62.300 0.137 0.000 1.024 43 V CB -0.646 31.289 31.823 0.186 0.000 0.648 43 V HN 0.610 nan 8.190 nan 0.000 0.447 44 E N -0.234 120.043 120.200 0.128 0.000 2.160 44 E HA -0.246 4.106 4.350 0.004 0.000 0.195 44 E C 2.254 178.929 176.600 0.124 0.000 0.991 44 E CA 1.251 57.719 56.400 0.113 0.000 0.810 44 E CB -0.111 29.637 29.700 0.080 0.000 0.742 44 E HN 0.596 nan 8.360 nan 0.000 0.466 45 K N -0.231 120.257 120.400 0.146 0.000 2.062 45 K HA -0.145 4.177 4.320 0.004 0.000 0.205 45 K C 2.051 178.801 176.600 0.250 0.000 1.051 45 K CA 1.004 57.427 56.287 0.227 0.000 0.941 45 K CB -0.224 32.396 32.500 0.200 0.000 0.719 45 K HN 0.149 nan 8.250 nan 0.000 0.440 46 Y N 1.996 122.344 120.300 0.080 0.000 2.165 46 Y HA -0.191 4.361 4.550 0.004 0.000 0.286 46 Y C 1.723 177.640 175.900 0.028 0.000 1.155 46 Y CA 1.377 59.492 58.100 0.024 0.000 1.164 46 Y CB -0.172 38.206 38.460 -0.137 0.000 0.978 46 Y HN -0.072 nan 8.280 nan 0.000 0.513 47 L N -0.057 121.164 121.223 -0.003 0.000 2.201 47 L HA -0.160 4.183 4.340 0.004 0.000 0.212 47 L C 2.349 179.163 176.870 -0.095 0.000 1.105 47 L CA 1.383 56.192 54.840 -0.051 0.000 0.775 47 L CB -0.443 41.675 42.059 0.097 0.000 0.913 47 L HN 0.089 nan 8.230 nan 0.000 0.440 48 K N 0.651 121.027 120.400 -0.040 0.000 2.155 48 K HA -0.075 4.248 4.320 0.004 0.000 0.203 48 K C 1.933 178.404 176.600 -0.215 0.000 1.052 48 K CA 1.136 57.395 56.287 -0.048 0.000 0.948 48 K CB -0.117 32.449 32.500 0.110 0.000 0.728 48 K HN 0.167 nan 8.250 nan 0.000 0.448 49 L N 0.302 121.339 121.223 -0.310 0.000 2.072 49 L HA -0.095 4.248 4.340 0.004 0.000 0.205 49 L C 2.432 178.849 176.870 -0.755 0.000 1.079 49 L CA 1.293 55.822 54.840 -0.518 0.000 0.752 49 L CB -0.406 41.468 42.059 -0.310 0.000 0.906 49 L HN 0.192 nan 8.230 nan 0.000 0.436 50 K N 0.366 120.422 120.400 -0.573 0.000 2.063 50 K HA -0.258 4.065 4.320 0.004 0.000 0.208 50 K C 1.632 178.006 176.600 -0.378 0.000 1.048 50 K CA 2.135 58.160 56.287 -0.437 0.000 0.928 50 K CB -0.020 32.348 32.500 -0.220 0.000 0.713 50 K HN 0.167 nan 8.250 nan 0.000 0.442 51 D N 0.104 120.338 120.400 -0.277 0.000 2.137 51 D HA -0.030 4.613 4.640 0.004 0.000 0.202 51 D C 1.833 178.019 176.300 -0.189 0.000 0.970 51 D CA 1.006 54.902 54.000 -0.173 0.000 0.837 51 D CB 0.101 40.840 40.800 -0.103 0.000 0.981 51 D HN 0.208 nan 8.370 nan 0.000 0.475 52 I N 0.535 120.962 120.570 -0.239 0.000 2.185 52 I HA -0.334 3.838 4.170 0.004 0.000 0.246 52 I C 2.117 178.090 176.117 -0.241 0.000 1.088 52 I CA 1.191 62.373 61.300 -0.197 0.000 1.347 52 I CB -0.380 37.490 38.000 -0.217 0.000 1.041 52 I HN 0.105 nan 8.210 nan 0.000 0.415 53 N N 0.377 118.797 118.700 -0.467 0.000 2.142 53 N HA -0.157 4.585 4.740 0.004 0.000 0.186 53 N C 1.856 177.243 175.510 -0.205 0.000 1.023 53 N CA 1.630 54.414 53.050 -0.443 0.000 0.852 53 N CB -0.011 37.991 38.487 -0.810 0.000 0.998 53 N HN 0.095 nan 8.380 nan 0.000 0.424 54 S N -0.358 115.240 115.700 -0.169 0.000 2.442 54 S HA 0.038 4.510 4.470 0.004 0.000 0.236 54 S C 1.705 176.281 174.600 -0.040 0.000 1.007 54 S CA 0.535 58.692 58.200 -0.072 0.000 0.965 54 S CB -0.138 63.031 63.200 -0.051 0.000 0.773 54 S HN 0.316 nan 8.310 nan 0.000 0.504 55 L N 0.496 121.692 121.223 -0.046 0.000 2.209 55 L HA -0.021 4.321 4.340 0.004 0.000 0.207 55 L C 2.468 179.354 176.870 0.026 0.000 1.094 55 L CA 0.927 55.763 54.840 -0.007 0.000 0.790 55 L CB -0.648 41.404 42.059 -0.012 0.000 0.932 55 L HN 0.265 nan 8.230 nan 0.000 0.447 56 T N -0.771 113.797 114.554 0.022 0.000 2.812 56 T HA -0.150 4.203 4.350 0.004 0.000 0.264 56 T C 1.445 176.179 174.700 0.056 0.000 1.042 56 T CA 1.420 63.562 62.100 0.070 0.000 1.140 56 T CB -0.306 68.621 68.868 0.099 0.000 0.870 56 T HN 0.467 nan 8.240 nan 0.000 0.445 57 D N 1.001 121.414 120.400 0.021 0.000 2.264 57 D HA -0.034 4.608 4.640 0.004 0.000 0.208 57 D C 1.778 178.098 176.300 0.034 0.000 0.966 57 D CA 0.569 54.584 54.000 0.026 0.000 0.864 57 D CB -0.582 40.227 40.800 0.014 0.000 0.933 57 D HN 0.388 nan 8.370 nan 0.000 0.499 58 I N -0.435 120.157 120.570 0.037 0.000 2.716 58 I HA -0.094 4.079 4.170 0.004 0.000 0.259 58 I C 2.250 178.414 176.117 0.079 0.000 1.172 58 I CA 0.156 61.481 61.300 0.042 0.000 1.478 58 I CB 0.104 38.122 38.000 0.030 0.000 1.104 58 I HN 0.226 nan 8.210 nan 0.000 0.439 59 C N 0.859 120.225 119.300 0.111 0.000 2.462 59 C HA -0.125 4.338 4.460 0.004 0.000 0.278 59 C C 2.647 177.761 174.990 0.206 0.000 1.253 59 C CA 0.784 59.914 59.018 0.186 0.000 1.713 59 C CB -0.822 27.023 27.740 0.176 0.000 2.049 59 C HN 0.451 nan 8.230 nan 0.000 0.477 60 I N 1.193 121.841 120.570 0.131 0.000 2.091 60 I HA -0.232 3.940 4.170 0.004 0.000 0.239 60 I C 2.542 178.704 176.117 0.076 0.000 1.061 60 I CA 2.400 63.762 61.300 0.103 0.000 1.317 60 I CB -0.893 37.145 38.000 0.064 0.000 1.031 60 I HN 0.504 nan 8.210 nan 0.000 0.401 61 D N 0.841 121.265 120.400 0.041 0.000 2.204 61 D HA -0.260 4.382 4.640 0.004 0.000 0.189 61 D C 1.903 178.172 176.300 -0.051 0.000 1.006 61 D CA 2.827 56.827 54.000 -0.000 0.000 0.855 61 D CB -0.043 40.755 40.800 -0.003 0.000 0.946 61 D HN 0.337 nan 8.370 nan 0.000 0.448 62 T N -1.361 113.139 114.554 -0.090 0.000 2.962 62 T HA -0.141 4.212 4.350 0.004 0.000 0.270 62 T C 0.419 174.752 174.700 -0.611 0.000 1.088 62 T CA 0.812 62.707 62.100 -0.342 0.000 1.127 62 T CB -0.193 68.426 68.868 -0.415 0.000 0.883 62 T HN 0.230 nan 8.240 nan 0.000 0.493 63 Y N 0.782 121.084 120.300 0.004 0.000 2.495 63 Y HA 0.424 4.976 4.550 0.004 0.000 0.362 63 Y C 1.151 177.047 175.900 -0.005 0.000 0.956 63 Y CA -1.254 56.844 58.100 -0.002 0.000 1.127 63 Y CB 0.293 38.749 38.460 -0.007 0.000 1.173 63 Y HN -0.053 nan 8.280 nan 0.000 0.639 64 K N 0.627 121.063 120.400 0.059 0.000 2.152 64 K HA -0.132 4.191 4.320 0.004 0.000 0.206 64 K C 0.434 177.065 176.600 0.051 0.000 1.048 64 K CA 1.248 57.560 56.287 0.041 0.000 0.933 64 K CB 0.097 32.601 32.500 0.008 0.000 0.721 64 K HN 0.310 nan 8.250 nan 0.000 0.447 65 K N 1.184 121.625 120.400 0.068 0.000 3.000 65 K HA 0.143 4.465 4.320 0.004 0.000 0.239 65 K C -0.689 175.953 176.600 0.070 0.000 1.269 65 K CA -0.206 56.116 56.287 0.058 0.000 1.220 65 K CB 1.101 33.630 32.500 0.049 0.000 1.645 65 K HN -0.123 nan 8.250 nan 0.000 0.423 66 S N -0.770 114.967 115.700 0.060 0.000 2.500 66 S HA 0.396 4.868 4.470 0.004 0.000 0.301 66 S C 1.096 175.686 174.600 -0.017 0.000 1.092 66 S CA -0.706 57.504 58.200 0.017 0.000 1.030 66 S CB 1.456 64.667 63.200 0.019 0.000 1.031 66 S HN 0.512 nan 8.310 nan 0.000 0.483 67 G N 3.040 111.813 108.800 -0.046 0.000 2.534 67 G HA2 -0.065 3.897 3.960 0.004 0.000 0.217 67 G HA3 -0.065 3.897 3.960 0.004 0.000 0.217 67 G C 1.276 176.136 174.900 -0.066 0.000 1.128 67 G CA 0.104 45.175 45.100 -0.048 0.000 0.784 67 G HN 0.751 nan 8.290 nan 0.000 0.542 68 R N 0.437 120.876 120.500 -0.102 0.000 2.189 68 R HA 0.011 4.353 4.340 0.004 0.000 0.218 68 R C 1.884 178.157 176.300 -0.046 0.000 1.074 68 R CA 0.469 56.500 56.100 -0.115 0.000 0.991 68 R CB -0.266 29.904 30.300 -0.217 0.000 0.883 68 R HN 0.244 nan 8.270 nan 0.000 0.457 69 N N 1.523 120.210 118.700 -0.022 0.000 2.247 69 N HA -0.226 4.516 4.740 0.004 0.000 0.189 69 N C 1.563 177.076 175.510 0.005 0.000 1.009 69 N CA 1.249 54.303 53.050 0.006 0.000 0.872 69 N CB -0.046 38.451 38.487 0.015 0.000 0.980 69 N HN 0.358 nan 8.380 nan 0.000 0.436 70 K N 0.828 121.225 120.400 -0.004 0.000 2.007 70 K HA 0.016 4.338 4.320 0.004 0.000 0.206 70 K C 1.996 178.593 176.600 -0.004 0.000 1.047 70 K CA 1.153 57.438 56.287 -0.004 0.000 0.937 70 K CB -0.055 32.443 32.500 -0.005 0.000 0.718 70 K HN 0.055 nan 8.250 nan 0.000 0.438 71 A N 1.330 124.149 122.820 -0.001 0.000 1.969 71 A HA -0.063 4.260 4.320 0.004 0.000 0.218 71 A C 2.087 179.694 177.584 0.038 0.000 1.169 71 A CA 0.967 53.009 52.037 0.009 0.000 0.635 71 A CB -0.532 18.474 19.000 0.010 0.000 0.810 71 A HN 0.326 nan 8.150 nan 0.000 0.445 72 L N -0.957 120.296 121.223 0.049 0.000 2.131 72 L HA -0.179 4.164 4.340 0.004 0.000 0.210 72 L C 2.514 179.440 176.870 0.092 0.000 1.092 72 L CA 1.531 56.435 54.840 0.106 0.000 0.759 72 L CB -0.352 41.761 42.059 0.089 0.000 0.903 72 L HN 0.387 nan 8.230 nan 0.000 0.435 73 K N -0.372 120.045 120.400 0.028 0.000 2.243 73 K HA -0.124 4.198 4.320 0.004 0.000 0.201 73 K C 2.043 178.601 176.600 -0.070 0.000 1.051 73 K CA 0.416 56.697 56.287 -0.009 0.000 0.970 73 K CB 0.247 32.742 32.500 -0.008 0.000 0.755 73 K HN -0.065 nan 8.250 nan 0.000 0.465 74 K N 0.573 120.909 120.400 -0.107 0.000 2.167 74 K HA -0.073 4.250 4.320 0.004 0.000 0.203 74 K C 1.620 177.866 176.600 -0.591 0.000 1.052 74 K CA 0.771 56.885 56.287 -0.288 0.000 0.956 74 K CB -0.255 32.109 32.500 -0.226 0.000 0.735 74 K HN -0.024 nan 8.250 nan 0.000 0.451 75 F N 1.663 121.339 119.950 -0.458 0.000 2.134 75 F HA -0.096 4.433 4.527 0.004 0.000 0.299 75 F C 1.428 177.105 175.800 -0.205 0.000 1.097 75 F CA 1.598 59.395 58.000 -0.338 0.000 1.264 75 F CB -0.133 38.809 39.000 -0.096 0.000 1.001 75 F HN -0.070 nan 8.300 nan 0.000 0.479 76 K N 0.095 120.330 120.400 -0.276 0.000 2.286 76 K HA -0.206 4.116 4.320 0.004 0.000 0.203 76 K C 1.850 178.347 176.600 -0.171 0.000 1.045 76 K CA 1.797 57.918 56.287 -0.276 0.000 0.935 76 K CB -0.212 32.222 32.500 -0.110 0.000 0.737 76 K HN 0.503 nan 8.250 nan 0.000 0.460 77 E N -0.601 119.495 120.200 -0.173 0.000 2.140 77 E HA -0.095 4.258 4.350 0.004 0.000 0.191 77 E C 1.641 178.289 176.600 0.081 0.000 0.973 77 E CA 0.510 56.886 56.400 -0.041 0.000 0.829 77 E CB 0.002 29.669 29.700 -0.053 0.000 0.781 77 E HN 0.268 nan 8.360 nan 0.000 0.466 78 Y N 1.135 121.414 120.300 -0.036 0.000 2.256 78 Y HA -0.153 4.399 4.550 0.003 0.000 0.288 78 Y C 2.105 177.953 175.900 -0.087 0.000 1.155 78 Y CA 0.560 58.646 58.100 -0.023 0.000 1.203 78 Y CB -0.719 37.773 38.460 0.054 0.000 0.980 78 Y HN 0.045 nan 8.280 nan 0.000 0.530 79 L N -1.438 119.733 121.223 -0.088 0.000 2.093 79 L HA -0.171 4.172 4.340 0.004 0.000 0.208 79 L C 2.306 179.294 176.870 0.196 0.000 1.085 79 L CA 0.670 55.443 54.840 -0.111 0.000 0.755 79 L CB -0.779 41.031 42.059 -0.416 0.000 0.904 79 L HN 0.042 nan 8.230 nan 0.000 0.435 80 V N -0.476 119.562 119.914 0.208 0.000 2.261 80 V HA -0.291 3.832 4.120 0.004 0.000 0.246 80 V C 2.577 178.743 176.094 0.120 0.000 1.047 80 V CA 2.404 64.807 62.300 0.171 0.000 1.015 80 V CB -0.840 31.058 31.823 0.124 0.000 0.642 80 V HN 0.453 nan 8.190 nan 0.000 0.446 81 T N -0.504 114.122 114.554 0.120 0.000 2.699 81 T HA -0.275 4.077 4.350 0.004 0.000 0.268 81 T C 1.932 176.685 174.700 0.090 0.000 1.036 81 T CA 2.013 64.171 62.100 0.097 0.000 1.147 81 T CB -0.263 68.672 68.868 0.111 0.000 0.862 81 T HN 0.479 nan 8.240 nan 0.000 0.446 82 E N 0.641 120.905 120.200 0.107 0.000 2.106 82 E HA -0.071 4.282 4.350 0.004 0.000 0.192 82 E C 2.133 178.812 176.600 0.132 0.000 0.984 82 E CA 0.637 57.105 56.400 0.114 0.000 0.806 82 E CB -0.548 29.204 29.700 0.086 0.000 0.750 82 E HN 0.278 nan 8.360 nan 0.000 0.458 83 V N 0.770 120.776 119.914 0.152 0.000 2.255 83 V HA -0.295 3.828 4.120 0.004 0.000 0.247 83 V C 2.455 178.597 176.094 0.081 0.000 1.051 83 V CA 1.939 64.333 62.300 0.157 0.000 1.018 83 V CB -0.574 31.328 31.823 0.132 0.000 0.641 83 V HN 0.319 nan 8.190 nan 0.000 0.445 84 L N -0.481 120.767 121.223 0.041 0.000 2.131 84 L HA -0.153 4.189 4.340 0.004 0.000 0.210 84 L C 2.713 179.578 176.870 -0.008 0.000 1.092 84 L CA 1.296 56.125 54.840 -0.018 0.000 0.759 84 L CB -0.635 41.405 42.059 -0.032 0.000 0.903 84 L HN 0.372 nan 8.230 nan 0.000 0.435 85 E N 0.161 120.381 120.200 0.034 0.000 2.046 85 E HA -0.191 4.161 4.350 0.004 0.000 0.190 85 E C 2.293 178.924 176.600 0.050 0.000 0.982 85 E CA 0.942 57.367 56.400 0.041 0.000 0.800 85 E CB -0.275 29.465 29.700 0.066 0.000 0.756 85 E HN 0.407 nan 8.360 nan 0.000 0.449 86 L N 1.390 122.662 121.223 0.083 0.000 2.079 86 L HA -0.215 4.127 4.340 0.004 0.000 0.210 86 L C 2.600 179.502 176.870 0.054 0.000 1.081 86 L CA 1.500 56.395 54.840 0.092 0.000 0.752 86 L CB -0.103 42.044 42.059 0.147 0.000 0.896 86 L HN 0.032 nan 8.230 nan 0.000 0.433 87 K N -0.715 119.701 120.400 0.027 0.000 2.031 87 K HA -0.136 4.187 4.320 0.004 0.000 0.205 87 K C 1.724 178.312 176.600 -0.021 0.000 1.049 87 K CA 1.459 57.742 56.287 -0.006 0.000 0.939 87 K CB 0.035 32.502 32.500 -0.054 0.000 0.717 87 K HN 0.363 nan 8.250 nan 0.000 0.438 88 N N 0.901 119.580 118.700 -0.034 0.000 2.376 88 N HA -0.057 4.685 4.740 0.004 0.000 0.177 88 N C 1.000 176.504 175.510 -0.011 0.000 1.024 88 N CA 0.710 53.737 53.050 -0.038 0.000 0.893 88 N CB -0.042 38.412 38.487 -0.055 0.000 0.980 88 N HN 0.284 nan 8.380 nan 0.000 0.439 89 N N 0.675 119.377 118.700 0.004 0.000 2.356 89 N HA 0.044 4.787 4.740 0.004 0.000 0.178 89 N C -0.391 175.129 175.510 0.017 0.000 1.075 89 N CA 0.220 53.277 53.050 0.012 0.000 0.889 89 N CB 0.378 38.876 38.487 0.018 0.000 0.999 89 N HN 0.158 nan 8.380 nan 0.000 0.464 90 N N 1.415 120.128 118.700 0.022 0.000 2.898 90 N HA 0.197 4.939 4.740 0.004 0.000 0.245 90 N C -1.185 174.342 175.510 0.029 0.000 1.185 90 N CA -0.266 52.799 53.050 0.026 0.000 0.879 90 N CB 1.306 39.813 38.487 0.033 0.000 1.157 90 N HN -0.062 nan 8.380 nan 0.000 0.503 91 L N 0.829 122.068 121.223 0.026 0.000 2.317 91 L HA 0.481 4.823 4.340 0.004 0.000 0.281 91 L C 0.844 177.733 176.870 0.032 0.000 1.024 91 L CA -0.357 54.501 54.840 0.030 0.000 0.810 91 L CB 1.584 43.658 42.059 0.026 0.000 1.240 91 L HN 0.211 nan 8.230 nan 0.000 0.427 92 T N 3.449 118.026 114.554 0.038 0.000 2.887 92 T HA 0.667 5.019 4.350 0.004 0.000 0.288 92 T C -2.731 171.992 174.700 0.039 0.000 1.021 92 T CA -2.068 60.054 62.100 0.036 0.000 1.000 92 T CB 1.762 70.653 68.868 0.039 0.000 1.034 92 T HN 0.318 nan 8.240 nan 0.000 0.467 93 P HA 0.054 nan 4.420 nan 0.000 0.261 93 P C -0.432 176.890 177.300 0.035 0.000 1.173 93 P CA -0.041 63.077 63.100 0.029 0.000 0.760 93 P CB 0.203 31.911 31.700 0.013 0.000 0.783 94 V N 4.477 124.420 119.914 0.048 0.000 2.488 94 V HA 0.026 4.148 4.120 0.004 0.000 0.277 94 V C 0.881 176.989 176.094 0.024 0.000 1.046 94 V CA -0.204 62.133 62.300 0.061 0.000 0.986 94 V CB -0.018 31.867 31.823 0.102 0.000 0.989 94 V HN 0.480 nan 8.190 nan 0.000 0.475 95 E N 3.883 124.095 120.200 0.020 0.000 2.652 95 E HA -0.041 4.311 4.350 0.004 0.000 0.255 95 E C 0.262 176.805 176.600 -0.094 0.000 0.952 95 E CA 0.436 56.820 56.400 -0.026 0.000 0.947 95 E CB 0.110 29.823 29.700 0.021 0.000 0.912 95 E HN 0.440 nan 8.360 nan 0.000 0.489 96 K N 3.803 124.033 120.400 -0.283 0.000 2.408 96 K HA 0.073 4.395 4.320 0.004 0.000 0.231 96 K C -0.498 175.913 176.600 -0.315 0.000 1.261 96 K CA -0.012 55.852 56.287 -0.704 0.000 1.193 96 K CB -0.347 31.537 32.500 -1.026 0.000 1.431 96 K HN 0.362 nan 8.250 nan 0.000 0.243 97 N N 2.046 120.710 118.700 -0.060 0.000 2.321 97 N HA 0.334 5.076 4.740 0.004 0.000 0.299 97 N C -0.708 174.693 175.510 -0.181 0.000 1.048 97 N CA -0.572 52.399 53.050 -0.132 0.000 0.836 97 N CB 2.028 40.353 38.487 -0.270 0.000 1.269 97 N HN 0.107 nan 8.380 nan 0.000 0.486 98 L N 2.689 123.760 121.223 -0.255 0.000 2.296 98 L HA 0.367 4.710 4.340 0.004 0.000 0.286 98 L C -0.311 176.220 176.870 -0.565 0.000 1.023 98 L CA -0.678 53.911 54.840 -0.419 0.000 0.812 98 L CB 0.949 42.841 42.059 -0.278 0.000 1.223 98 L HN 0.344 nan 8.230 nan 0.000 0.421 99 H N 4.167 123.042 119.070 -0.325 0.000 2.511 99 H HA 0.452 5.010 4.556 0.004 0.000 0.328 99 H C -0.941 174.103 175.328 -0.472 0.000 1.044 99 H CA -0.365 55.619 56.048 -0.107 0.000 1.212 99 H CB 1.427 31.309 29.762 0.201 0.000 1.428 99 H HN 0.301 nan 8.280 nan 0.000 0.483 100 F N 0.945 120.979 119.950 0.139 0.000 2.575 100 F HA 0.499 5.028 4.527 0.004 0.000 0.330 100 F C 0.118 176.156 175.800 0.396 0.000 1.056 100 F CA -1.014 57.034 58.000 0.080 0.000 0.964 100 F CB 1.753 40.762 39.000 0.014 0.000 1.258 100 F HN 0.100 nan 8.300 nan 0.000 0.484 101 V N 1.357 121.642 119.914 0.618 0.000 2.638 101 V HA 0.321 4.444 4.120 0.004 0.000 0.306 101 V C -1.559 174.874 176.094 0.564 0.000 1.052 101 V CA -0.928 61.714 62.300 0.570 0.000 0.885 101 V CB 2.314 34.405 31.823 0.447 0.000 0.999 101 V HN 0.784 nan 8.190 nan 0.000 0.424 102 W N 7.792 129.286 121.300 0.322 0.000 2.802 102 W HA 0.690 5.352 4.660 0.004 0.000 0.331 102 W C -1.526 175.161 176.519 0.281 0.000 1.021 102 W CA -0.604 56.895 57.345 0.257 0.000 1.259 102 W CB 1.798 31.378 29.460 0.200 0.000 1.323 102 W HN 0.662 nan 8.180 nan 0.000 0.432 103 I N 2.184 122.571 120.570 -0.304 0.000 2.892 103 I HA 0.922 5.094 4.170 0.004 0.000 0.306 103 I C 0.760 176.683 176.117 -0.324 0.000 1.078 103 I CA -0.391 60.826 61.300 -0.138 0.000 1.032 103 I CB 2.078 40.082 38.000 0.006 0.000 1.229 103 I HN 0.610 nan 8.210 nan 0.000 0.435 104 G N 2.105 110.841 108.800 -0.108 0.000 2.232 104 G HA2 0.126 4.089 3.960 0.004 0.000 0.226 104 G HA3 0.126 4.089 3.960 0.004 0.000 0.226 104 G C 0.240 175.204 174.900 0.106 0.000 0.996 104 G CA -0.125 44.933 45.100 -0.069 0.000 0.626 104 G HN 1.760 nan 8.290 nan 0.000 0.509 105 G N -1.220 107.748 108.800 0.280 0.000 2.430 105 G HA2 0.580 4.543 3.960 0.004 0.000 0.300 105 G HA3 0.580 4.543 3.960 0.004 0.000 0.300 105 G C -0.827 174.480 174.900 0.679 0.000 1.330 105 G CA 0.308 45.732 45.100 0.539 0.000 0.813 105 G HN 0.639 nan 8.290 nan 0.000 0.487 106 Q N -0.388 119.708 119.800 0.493 0.000 2.386 106 Q HA 0.217 4.560 4.340 0.004 0.000 0.282 106 Q C 0.047 176.222 176.000 0.292 0.000 1.050 106 Q CA -0.092 55.840 55.803 0.214 0.000 0.918 106 Q CB 0.785 29.455 28.738 -0.114 0.000 1.266 106 Q HN 0.509 nan 8.270 nan 0.000 0.423 107 I N 3.455 124.057 120.570 0.054 0.000 2.496 107 I HA 0.016 4.188 4.170 0.004 0.000 0.285 107 I C -0.053 175.870 176.117 -0.324 0.000 1.080 107 I CA -0.165 60.913 61.300 -0.370 0.000 1.404 107 I CB 0.540 38.377 38.000 -0.272 0.000 1.403 107 I HN 0.724 nan 8.210 nan 0.000 0.539 108 N N 4.962 123.382 118.700 -0.467 0.000 2.515 108 N HA 0.080 4.822 4.740 0.004 0.000 0.279 108 N C 0.510 175.871 175.510 -0.248 0.000 1.164 108 N CA -0.238 52.644 53.050 -0.281 0.000 0.982 108 N CB 1.054 39.392 38.487 -0.249 0.000 1.170 108 N HN 0.494 nan 8.380 nan 0.000 0.474 109 D N 0.920 121.228 120.400 -0.152 0.000 2.172 109 D HA -0.171 4.471 4.640 0.004 0.000 0.196 109 D C 1.178 177.421 176.300 -0.094 0.000 0.999 109 D CA 1.673 55.609 54.000 -0.108 0.000 0.856 109 D CB -0.527 40.235 40.800 -0.063 0.000 0.934 109 D HN 0.688 nan 8.370 nan 0.000 0.453 110 T N 0.530 115.015 114.554 -0.115 0.000 2.635 110 T HA -0.197 4.155 4.350 0.004 0.000 0.267 110 T C 2.014 176.626 174.700 -0.147 0.000 1.040 110 T CA 1.920 63.962 62.100 -0.097 0.000 1.156 110 T CB -0.448 68.314 68.868 -0.177 0.000 0.863 110 T HN 0.263 nan 8.240 nan 0.000 0.430 111 A N 0.910 123.559 122.820 -0.284 0.000 1.908 111 A HA -0.061 4.261 4.320 0.004 0.000 0.218 111 A C 2.315 179.799 177.584 -0.166 0.000 1.181 111 A CA 1.431 53.297 52.037 -0.285 0.000 0.627 111 A CB -0.828 17.912 19.000 -0.433 0.000 0.818 111 A HN 0.547 nan 8.150 nan 0.000 0.445 112 I N -0.183 120.290 120.570 -0.163 0.000 2.315 112 I HA -0.265 3.907 4.170 0.004 0.000 0.248 112 I C 2.188 178.272 176.117 -0.056 0.000 1.117 112 I CA 1.427 62.648 61.300 -0.132 0.000 1.404 112 I CB -0.480 37.444 38.000 -0.125 0.000 1.071 112 I HN 0.451 nan 8.210 nan 0.000 0.419 113 N N -0.344 118.366 118.700 0.016 0.000 2.244 113 N HA -0.195 4.548 4.740 0.004 0.000 0.183 113 N C 1.759 177.348 175.510 0.132 0.000 1.016 113 N CA 0.941 54.037 53.050 0.077 0.000 0.866 113 N CB -0.013 38.549 38.487 0.126 0.000 0.980 113 N HN 0.247 nan 8.380 nan 0.000 0.430 114 Y N 1.331 121.603 120.300 -0.046 0.000 2.220 114 Y HA 0.028 4.580 4.550 0.004 0.000 0.291 114 Y C 2.109 178.019 175.900 0.016 0.000 1.129 114 Y CA 0.439 58.537 58.100 -0.003 0.000 1.161 114 Y CB -0.371 38.126 38.460 0.061 0.000 0.997 114 Y HN 0.006 nan 8.280 nan 0.000 0.522 115 I N 0.029 120.618 120.570 0.031 0.000 2.208 115 I HA -0.351 3.822 4.170 0.004 0.000 0.245 115 I C 1.761 177.857 176.117 -0.034 0.000 1.097 115 I CA 1.360 62.524 61.300 -0.226 0.000 1.363 115 I CB -0.373 37.263 38.000 -0.608 0.000 1.051 115 I HN 0.209 nan 8.210 nan 0.000 0.413 116 N N 0.445 119.112 118.700 -0.055 0.000 2.289 116 N HA -0.163 4.580 4.740 0.004 0.000 0.184 116 N C 1.818 177.273 175.510 -0.090 0.000 1.016 116 N CA 0.899 53.915 53.050 -0.057 0.000 0.872 116 N CB -0.210 38.241 38.487 -0.060 0.000 0.973 116 N HN 0.392 nan 8.380 nan 0.000 0.433 117 Q N -0.570 119.131 119.800 -0.165 0.000 2.084 117 Q HA -0.100 4.242 4.340 0.004 0.000 0.202 117 Q C 1.997 177.762 176.000 -0.391 0.000 0.978 117 Q CA 1.059 56.633 55.803 -0.382 0.000 0.844 117 Q CB -0.684 27.663 28.738 -0.652 0.000 0.898 117 Q HN 0.537 nan 8.270 nan 0.000 0.426 118 W N 1.849 123.021 121.300 -0.215 0.000 2.358 118 W HA -0.110 4.552 4.660 0.004 0.000 0.303 118 W C 2.350 178.810 176.519 -0.099 0.000 1.208 118 W CA 0.925 58.191 57.345 -0.132 0.000 1.274 118 W CB -0.174 29.311 29.460 0.043 0.000 1.138 118 W HN 0.121 nan 8.180 nan 0.000 0.515 119 K N -0.075 120.412 120.400 0.144 0.000 2.032 119 K HA -0.189 4.134 4.320 0.004 0.000 0.209 119 K C 1.419 178.024 176.600 0.009 0.000 1.048 119 K CA 1.768 58.097 56.287 0.069 0.000 0.927 119 K CB -0.546 31.970 32.500 0.027 0.000 0.712 119 K HN 0.078 nan 8.250 nan 0.000 0.441 120 D N 0.300 120.666 120.400 -0.056 0.000 2.178 120 D HA -0.111 4.531 4.640 0.004 0.000 0.202 120 D C 1.676 177.930 176.300 -0.077 0.000 0.974 120 D CA 1.173 55.121 54.000 -0.087 0.000 0.841 120 D CB 0.131 40.839 40.800 -0.154 0.000 0.953 120 D HN 0.192 nan 8.370 nan 0.000 0.478 121 V N -2.541 117.320 119.914 -0.087 0.000 3.578 121 V HA 0.302 4.425 4.120 0.004 0.000 0.290 121 V C 0.227 176.316 176.094 -0.010 0.000 1.376 121 V CA -0.153 62.111 62.300 -0.060 0.000 1.083 121 V CB -0.037 31.730 31.823 -0.093 0.000 0.911 121 V HN -0.050 nan 8.190 nan 0.000 0.433 122 N N 1.283 120.000 118.700 0.027 0.000 2.679 122 N HA 0.153 4.896 4.740 0.004 0.000 0.302 122 N C 1.218 176.816 175.510 0.147 0.000 1.941 122 N CA 0.744 53.848 53.050 0.090 0.000 0.875 122 N CB 1.460 39.953 38.487 0.010 0.000 1.278 122 N HN 0.584 nan 8.380 nan 0.000 0.490 123 S N -0.020 115.739 115.700 0.100 0.000 2.442 123 S HA -0.177 4.295 4.470 0.004 0.000 0.236 123 S C 1.267 175.923 174.600 0.094 0.000 1.007 123 S CA 1.142 59.390 58.200 0.079 0.000 0.965 123 S CB -0.134 63.092 63.200 0.043 0.000 0.773 123 S HN 0.372 nan 8.310 nan 0.000 0.504 124 D N -0.671 119.810 120.400 0.135 0.000 2.355 124 D HA -0.010 4.633 4.640 0.004 0.000 0.218 124 D C -0.231 176.095 176.300 0.043 0.000 1.004 124 D CA 0.036 54.086 54.000 0.084 0.000 0.880 124 D CB -0.562 40.276 40.800 0.064 0.000 0.911 124 D HN 0.456 nan 8.370 nan 0.000 0.528 125 Y N 0.914 121.220 120.300 0.009 0.000 2.320 125 Y HA 0.273 4.826 4.550 0.004 0.000 0.334 125 Y C 0.644 176.533 175.900 -0.018 0.000 1.055 125 Y CA -1.252 56.845 58.100 -0.006 0.000 1.143 125 Y CB 0.891 39.352 38.460 0.003 0.000 1.193 125 Y HN -0.178 nan 8.280 nan 0.000 0.477 126 N N 1.517 120.242 118.700 0.041 0.000 2.530 126 N HA 0.383 5.126 4.740 0.004 0.000 0.273 126 N C -1.652 173.862 175.510 0.007 0.000 1.173 126 N CA -0.094 52.961 53.050 0.008 0.000 0.967 126 N CB 0.719 39.183 38.487 -0.039 0.000 1.109 126 N HN 0.305 nan 8.380 nan 0.000 0.453 127 V N 3.000 122.917 119.914 0.005 0.000 2.483 127 V HA 0.378 4.500 4.120 0.004 0.000 0.297 127 V C -0.666 175.417 176.094 -0.018 0.000 1.027 127 V CA -0.909 61.404 62.300 0.022 0.000 0.855 127 V CB 1.284 33.168 31.823 0.102 0.000 0.995 127 V HN 0.779 nan 8.190 nan 0.000 0.424 128 N N 2.797 121.466 118.700 -0.051 0.000 2.400 128 N HA 0.629 5.371 4.740 0.004 0.000 0.288 128 N C -1.034 174.476 175.510 0.000 0.000 1.024 128 N CA -0.626 52.332 53.050 -0.153 0.000 0.894 128 N CB 2.509 40.752 38.487 -0.407 0.000 1.173 128 N HN 0.423 nan 8.380 nan 0.000 0.487 129 V N 3.334 123.243 119.914 -0.007 0.000 2.275 129 V HA 0.288 4.410 4.120 0.004 0.000 0.272 129 V C -0.588 175.631 176.094 0.209 0.000 1.028 129 V CA -0.615 61.792 62.300 0.178 0.000 0.810 129 V CB -0.730 31.175 31.823 0.137 0.000 1.043 129 V HN 0.578 nan 8.190 nan 0.000 0.453 130 F N 5.488 125.635 119.950 0.327 0.000 2.495 130 F HA 0.456 4.985 4.527 0.004 0.000 0.365 130 F C 0.302 176.323 175.800 0.369 0.000 1.090 130 F CA 0.136 58.303 58.000 0.277 0.000 1.235 130 F CB 0.356 39.458 39.000 0.169 0.000 1.119 130 F HN 0.614 nan 8.300 nan 0.000 0.562 131 Y N -0.056 120.459 120.300 0.357 0.000 2.638 131 Y HA 0.574 5.127 4.550 0.004 0.000 0.339 131 Y C -1.543 174.465 175.900 0.180 0.000 1.084 131 Y CA -1.979 56.275 58.100 0.257 0.000 1.068 131 Y CB 1.099 39.720 38.460 0.269 0.000 1.294 131 Y HN 0.405 nan 8.280 nan 0.000 0.480 132 D N 1.010 121.405 120.400 -0.008 0.000 2.414 132 D HA 0.179 4.822 4.640 0.004 0.000 0.232 132 D C 0.573 176.685 176.300 -0.314 0.000 1.070 132 D CA 0.008 53.935 54.000 -0.122 0.000 0.839 132 D CB 1.715 42.565 40.800 0.083 0.000 1.079 132 D HN 0.744 nan 8.370 nan 0.000 0.521 133 S N 3.218 118.771 115.700 -0.245 0.000 2.507 133 S HA -0.116 4.356 4.470 0.004 0.000 0.235 133 S C 1.084 175.665 174.600 -0.031 0.000 0.988 133 S CA 0.451 58.614 58.200 -0.062 0.000 0.944 133 S CB -0.010 63.349 63.200 0.265 0.000 0.762 133 S HN 0.352 nan 8.310 nan 0.000 0.526 134 N N 1.831 120.520 118.700 -0.019 0.000 2.412 134 N HA 0.325 5.068 4.740 0.004 0.000 0.184 134 N C 0.385 175.930 175.510 0.059 0.000 1.101 134 N CA 0.810 53.907 53.050 0.077 0.000 0.881 134 N CB 0.387 38.948 38.487 0.123 0.000 0.969 134 N HN 0.593 nan 8.380 nan 0.000 0.459 135 A N -0.528 122.242 122.820 -0.083 0.000 3.176 135 A HA 0.345 4.667 4.320 0.004 0.000 0.265 135 A C -0.090 177.465 177.584 -0.050 0.000 0.936 135 A CA -0.478 51.541 52.037 -0.029 0.000 1.033 135 A CB -0.672 18.315 19.000 -0.022 0.000 1.158 135 A HN 0.033 nan 8.150 nan 0.000 0.485 136 F N -0.462 119.604 119.950 0.192 0.000 2.661 136 F HA 0.143 4.672 4.527 0.004 0.000 0.298 136 F C 1.496 177.436 175.800 0.232 0.000 1.137 136 F CA 1.058 59.194 58.000 0.227 0.000 1.454 136 F CB 0.102 39.244 39.000 0.237 0.000 1.103 136 F HN 0.372 nan 8.300 nan 0.000 0.577 137 L N -0.772 120.615 121.223 0.273 0.000 2.693 137 L HA 0.081 4.424 4.340 0.004 0.000 0.235 137 L C 1.814 178.645 176.870 -0.065 0.000 1.127 137 L CA -0.188 54.725 54.840 0.121 0.000 0.914 137 L CB 0.034 42.163 42.059 0.115 0.000 1.193 137 L HN 0.035 nan 8.230 nan 0.000 0.502 138 I N 0.452 120.969 120.570 -0.087 0.000 2.226 138 I HA -0.237 3.935 4.170 0.004 0.000 0.245 138 I C 2.109 178.043 176.117 -0.306 0.000 1.100 138 I CA 1.303 62.443 61.300 -0.267 0.000 1.374 138 I CB -0.914 36.978 38.000 -0.178 0.000 1.057 138 I HN 0.366 nan 8.210 nan 0.000 0.413 139 N N 0.611 119.233 118.700 -0.131 0.000 2.166 139 N HA -0.119 4.624 4.740 0.004 0.000 0.186 139 N C 1.822 177.241 175.510 -0.151 0.000 1.019 139 N CA 1.605 54.599 53.050 -0.092 0.000 0.856 139 N CB -0.406 38.110 38.487 0.048 0.000 0.993 139 N HN 0.350 nan 8.380 nan 0.000 0.426 140 T N 1.721 116.172 114.554 -0.171 0.000 2.777 140 T HA -0.093 4.259 4.350 0.004 0.000 0.266 140 T C 1.979 176.485 174.700 -0.325 0.000 1.040 140 T CA 0.534 62.490 62.100 -0.239 0.000 1.141 140 T CB -0.342 68.366 68.868 -0.266 0.000 0.868 140 T HN 0.086 nan 8.240 nan 0.000 0.444 141 L N 1.663 122.631 121.223 -0.426 0.000 2.012 141 L HA -0.048 4.295 4.340 0.004 0.000 0.210 141 L C 2.363 178.741 176.870 -0.820 0.000 1.073 141 L CA 1.977 56.432 54.840 -0.642 0.000 0.748 141 L CB -0.613 40.905 42.059 -0.902 0.000 0.891 141 L HN 0.131 nan 8.230 nan 0.000 0.431 142 K N -0.380 119.509 120.400 -0.852 0.000 2.026 142 K HA -0.263 4.060 4.320 0.004 0.000 0.208 142 K C 2.365 178.822 176.600 -0.237 0.000 1.048 142 K CA 1.918 57.860 56.287 -0.575 0.000 0.929 142 K CB -0.299 32.084 32.500 -0.194 0.000 0.713 142 K HN 0.345 nan 8.250 nan 0.000 0.439 143 K N -0.125 120.153 120.400 -0.204 0.000 2.057 143 K HA -0.130 4.192 4.320 0.004 0.000 0.207 143 K C 1.820 178.298 176.600 -0.203 0.000 1.049 143 K CA 2.012 58.217 56.287 -0.137 0.000 0.931 143 K CB -0.174 32.262 32.500 -0.108 0.000 0.714 143 K HN 0.191 nan 8.250 nan 0.000 0.440 144 T N 0.764 115.135 114.554 -0.306 0.000 2.684 144 T HA -0.129 4.223 4.350 0.004 0.000 0.267 144 T C 1.880 176.280 174.700 -0.500 0.000 1.036 144 T CA 1.537 63.382 62.100 -0.424 0.000 1.148 144 T CB -0.174 68.358 68.868 -0.560 0.000 0.863 144 T HN 0.018 nan 8.240 nan 0.000 0.436 145 V N 0.959 120.609 119.914 -0.439 0.000 2.307 145 V HA -0.125 3.998 4.120 0.004 0.000 0.245 145 V C 2.667 178.684 176.094 -0.128 0.000 1.045 145 V CA 1.201 63.343 62.300 -0.263 0.000 1.024 145 V CB -0.612 31.163 31.823 -0.079 0.000 0.651 145 V HN 0.299 nan 8.190 nan 0.000 0.449 146 V N 0.022 119.887 119.914 -0.083 0.000 2.287 146 V HA -0.297 3.825 4.120 0.004 0.000 0.248 146 V C 2.421 178.447 176.094 -0.114 0.000 1.053 146 V CA 2.275 64.548 62.300 -0.045 0.000 1.027 146 V CB -0.669 31.192 31.823 0.063 0.000 0.646 146 V HN 0.632 nan 8.190 nan 0.000 0.447 147 E N -0.249 119.864 120.200 -0.145 0.000 2.110 147 E HA -0.202 4.150 4.350 0.004 0.000 0.193 147 E C 2.405 178.929 176.600 -0.127 0.000 0.988 147 E CA 1.409 57.711 56.400 -0.163 0.000 0.804 147 E CB -0.278 29.334 29.700 -0.147 0.000 0.745 147 E HN 0.534 nan 8.360 nan 0.000 0.458 148 S N 0.548 116.179 115.700 -0.116 0.000 2.370 148 S HA -0.203 4.269 4.470 0.004 0.000 0.226 148 S C 2.103 176.681 174.600 -0.035 0.000 1.033 148 S CA 1.306 59.489 58.200 -0.028 0.000 1.011 148 S CB -0.143 63.090 63.200 0.056 0.000 0.852 148 S HN 0.339 nan 8.310 nan 0.000 0.457 149 A N 1.043 123.819 122.820 -0.073 0.000 1.930 149 A HA 0.081 4.404 4.320 0.004 0.000 0.217 149 A C 2.111 179.593 177.584 -0.170 0.000 1.175 149 A CA 1.270 53.239 52.037 -0.114 0.000 0.627 149 A CB -0.698 18.221 19.000 -0.135 0.000 0.815 149 A HN 0.622 nan 8.150 nan 0.000 0.443 150 I N 0.157 120.629 120.570 -0.163 0.000 2.127 150 I HA -0.304 3.869 4.170 0.004 0.000 0.241 150 I C 2.574 178.631 176.117 -0.099 0.000 1.075 150 I CA 1.702 62.925 61.300 -0.129 0.000 1.334 150 I CB -0.403 37.416 38.000 -0.301 0.000 1.040 150 I HN 0.513 nan 8.210 nan 0.000 0.405 151 N N 0.739 119.383 118.700 -0.092 0.000 2.142 151 N HA -0.204 4.539 4.740 0.004 0.000 0.186 151 N C 1.387 176.845 175.510 -0.088 0.000 1.023 151 N CA 1.645 54.666 53.050 -0.049 0.000 0.852 151 N CB -0.047 38.467 38.487 0.046 0.000 0.998 151 N HN 0.265 nan 8.380 nan 0.000 0.424 152 D N -0.069 120.286 120.400 -0.076 0.000 2.117 152 D HA -0.085 4.558 4.640 0.004 0.000 0.197 152 D C 1.711 177.929 176.300 -0.137 0.000 0.987 152 D CA 1.195 55.152 54.000 -0.072 0.000 0.829 152 D CB -0.637 40.135 40.800 -0.047 0.000 0.961 152 D HN 0.305 nan 8.370 nan 0.000 0.460 153 T N 1.052 115.472 114.554 -0.223 0.000 2.746 153 T HA -0.051 4.302 4.350 0.004 0.000 0.267 153 T C 2.223 176.644 174.700 -0.464 0.000 1.039 153 T CA 0.543 62.427 62.100 -0.360 0.000 1.142 153 T CB -0.217 68.307 68.868 -0.572 0.000 0.866 153 T HN 0.123 nan 8.240 nan 0.000 0.444 154 L N 0.652 121.640 121.223 -0.393 0.000 2.093 154 L HA -0.044 4.298 4.340 0.004 0.000 0.208 154 L C 2.773 179.357 176.870 -0.476 0.000 1.085 154 L CA 1.250 55.755 54.840 -0.559 0.000 0.755 154 L CB -0.497 41.011 42.059 -0.918 0.000 0.904 154 L HN 0.318 nan 8.230 nan 0.000 0.435 155 E N -0.118 119.894 120.200 -0.314 0.000 2.160 155 E HA -0.220 4.132 4.350 0.004 0.000 0.195 155 E C 2.222 178.849 176.600 0.045 0.000 0.991 155 E CA 1.401 57.792 56.400 -0.016 0.000 0.810 155 E CB 0.138 29.869 29.700 0.051 0.000 0.742 155 E HN 0.333 nan 8.360 nan 0.000 0.466 156 S N -0.374 115.342 115.700 0.026 0.000 2.368 156 S HA -0.084 4.388 4.470 0.004 0.000 0.224 156 S C 1.327 176.141 174.600 0.357 0.000 1.029 156 S CA 0.818 59.120 58.200 0.170 0.000 0.988 156 S CB -0.176 63.132 63.200 0.180 0.000 0.838 156 S HN 0.245 nan 8.310 nan 0.000 0.462 157 F N 1.767 121.761 119.950 0.073 0.000 2.044 157 F HA 0.095 4.625 4.527 0.004 0.000 0.286 157 F C 2.328 178.078 175.800 -0.083 0.000 1.173 157 F CA 1.037 59.035 58.000 -0.003 0.000 1.141 157 F CB -1.646 37.402 39.000 0.080 0.000 1.012 157 F HN 0.213 nan 8.300 nan 0.000 0.482 158 R N 0.953 121.581 120.500 0.215 0.000 2.578 158 R HA -0.376 3.966 4.340 0.004 0.000 0.087 158 R C 1.214 177.560 176.300 0.077 0.000 0.581 158 R CA 2.566 58.767 56.100 0.169 0.000 0.235 158 R CB -2.129 28.336 30.300 0.276 0.000 0.580 158 R HN 0.477 nan 8.270 nan 0.000 0.234 159 E N 1.931 122.147 120.200 0.027 0.000 2.472 159 E HA -0.126 4.226 4.350 0.004 0.000 0.200 159 E C -0.013 176.512 176.600 -0.126 0.000 1.046 159 E CA 1.623 58.010 56.400 -0.021 0.000 0.871 159 E CB -0.370 29.328 29.700 -0.004 0.000 0.806 159 E HN 0.913 nan 8.360 nan 0.000 0.533 160 N N 0.132 118.664 118.700 -0.279 0.000 2.291 160 N HA 0.140 4.883 4.740 0.004 0.000 0.244 160 N C 0.678 175.923 175.510 -0.441 0.000 1.216 160 N CA -0.252 52.467 53.050 -0.553 0.000 0.879 160 N CB 0.553 38.203 38.487 -1.394 0.000 1.167 160 N HN -0.123 nan 8.380 nan 0.000 0.515 161 L N 0.902 122.043 121.223 -0.137 0.000 2.131 161 L HA -0.013 4.329 4.340 0.004 0.000 0.210 161 L C 1.631 178.503 176.870 0.004 0.000 1.092 161 L CA 1.463 56.309 54.840 0.011 0.000 0.759 161 L CB -0.465 41.630 42.059 0.060 0.000 0.903 161 L HN 0.324 nan 8.230 nan 0.000 0.435 162 N N -0.307 118.373 118.700 -0.034 0.000 2.216 162 N HA -0.034 4.708 4.740 0.004 0.000 0.183 162 N C -0.134 175.389 175.510 0.021 0.000 1.017 162 N CA 1.145 54.186 53.050 -0.016 0.000 0.861 162 N CB -0.072 38.399 38.487 -0.026 0.000 0.986 162 N HN 0.524 nan 8.380 nan 0.000 0.428 163 D N -3.260 117.149 120.400 0.015 0.000 2.764 163 D HA 0.177 4.819 4.640 0.004 0.000 0.293 163 D C -2.583 173.800 176.300 0.138 0.000 1.287 163 D CA -0.975 53.072 54.000 0.079 0.000 0.768 163 D CB 0.802 41.634 40.800 0.054 0.000 1.288 163 D HN -0.200 nan 8.370 nan 0.000 0.426 164 P HA 0.199 nan 4.420 nan 0.000 0.204 164 P C 0.029 177.425 177.300 0.161 0.000 1.214 164 P CA 0.466 63.654 63.100 0.147 0.000 0.902 164 P CB 0.348 32.111 31.700 0.104 0.000 0.733 165 R N -0.285 120.284 120.500 0.115 0.000 3.436 165 R HA 0.279 4.621 4.340 0.004 0.000 0.247 165 R C -0.668 175.610 176.300 -0.038 0.000 1.434 165 R CA -0.379 55.755 56.100 0.058 0.000 1.543 165 R CB -0.838 29.456 30.300 -0.011 0.000 1.289 165 R HN 0.146 nan 8.270 nan 0.000 0.664 166 F N 2.174 122.069 119.950 -0.091 0.000 2.606 166 F HA 0.048 4.578 4.527 0.004 0.000 0.347 166 F C 0.994 176.825 175.800 0.052 0.000 1.207 166 F CA -0.933 56.940 58.000 -0.212 0.000 1.306 166 F CB -0.277 38.442 39.000 -0.468 0.000 1.657 166 F HN 0.362 nan 8.300 nan 0.000 0.606 167 D N -0.488 119.954 120.400 0.071 0.000 2.469 167 D HA -0.052 4.590 4.640 0.004 0.000 0.278 167 D C 1.422 177.474 176.300 -0.412 0.000 1.231 167 D CA -0.327 53.689 54.000 0.027 0.000 1.075 167 D CB -0.131 40.700 40.800 0.053 0.000 1.121 167 D HN 0.361 nan 8.370 nan 0.000 0.571 168 Y N -0.874 119.125 120.300 -0.501 0.000 2.395 168 Y HA 0.095 4.647 4.550 0.004 0.000 0.293 168 Y C 1.644 177.546 175.900 0.002 0.000 1.123 168 Y CA 0.818 58.563 58.100 -0.591 0.000 1.227 168 Y CB -0.724 37.680 38.460 -0.094 0.000 1.012 168 Y HN 0.102 nan 8.280 nan 0.000 0.552 169 N N 1.605 119.895 118.700 -0.684 0.000 2.058 169 N HA -0.203 4.540 4.740 0.004 0.000 0.191 169 N C 1.754 177.246 175.510 -0.030 0.000 1.037 169 N CA 1.758 54.572 53.050 -0.393 0.000 0.848 169 N CB -0.374 37.876 38.487 -0.396 0.000 1.021 169 N HN 0.458 nan 8.380 nan 0.000 0.422 170 K N 0.377 120.746 120.400 -0.052 0.000 2.057 170 K HA -0.134 4.189 4.320 0.004 0.000 0.207 170 K C 2.123 178.862 176.600 0.231 0.000 1.049 170 K CA 0.827 57.145 56.287 0.051 0.000 0.931 170 K CB -0.258 32.194 32.500 -0.080 0.000 0.714 170 K HN 0.059 nan 8.250 nan 0.000 0.440 171 F N 0.789 120.783 119.950 0.073 0.000 2.069 171 F HA -0.244 4.285 4.527 0.004 0.000 0.298 171 F C 1.682 177.412 175.800 -0.116 0.000 1.113 171 F CA 1.671 59.645 58.000 -0.043 0.000 1.214 171 F CB -0.453 38.344 39.000 -0.338 0.000 0.978 171 F HN -0.043 nan 8.300 nan 0.000 0.474 172 F N 0.658 120.635 119.950 0.046 0.000 2.234 172 F HA -0.078 4.452 4.527 0.004 0.000 0.299 172 F C 2.527 178.421 175.800 0.157 0.000 1.087 172 F CA 1.377 59.385 58.000 0.013 0.000 1.340 172 F CB -0.751 38.235 39.000 -0.024 0.000 1.031 172 F HN -0.138 nan 8.300 nan 0.000 0.500 173 R N 0.336 121.068 120.500 0.387 0.000 2.080 173 R HA -0.145 4.197 4.340 0.004 0.000 0.236 173 R C 2.255 178.582 176.300 0.045 0.000 1.137 173 R CA 1.291 57.542 56.100 0.253 0.000 0.943 173 R CB -0.317 30.100 30.300 0.196 0.000 0.846 173 R HN 0.145 nan 8.270 nan 0.000 0.431 174 K N 0.441 120.837 120.400 -0.008 0.000 2.025 174 K HA -0.145 4.178 4.320 0.004 0.000 0.207 174 K C 2.030 178.511 176.600 -0.199 0.000 1.049 174 K CA 0.982 57.228 56.287 -0.068 0.000 0.933 174 K CB -0.346 32.147 32.500 -0.012 0.000 0.714 174 K HN 0.159 nan 8.250 nan 0.000 0.438 175 R N 0.571 120.847 120.500 -0.373 0.000 2.127 175 R HA -0.124 4.219 4.340 0.004 0.000 0.238 175 R C 2.274 178.423 176.300 -0.251 0.000 1.134 175 R CA 1.315 57.166 56.100 -0.415 0.000 0.975 175 R CB -0.119 29.766 30.300 -0.692 0.000 0.865 175 R HN 0.042 nan 8.270 nan 0.000 0.447 176 M N 1.223 120.701 119.600 -0.203 0.000 2.132 176 M HA -0.127 4.356 4.480 0.004 0.000 0.263 176 M C 1.430 177.419 176.300 -0.518 0.000 1.065 176 M CA 1.776 56.859 55.300 -0.362 0.000 1.122 176 M CB -0.031 32.291 32.600 -0.463 0.000 1.365 176 M HN 0.122 nan 8.290 nan 0.000 0.411 177 E N -0.125 119.857 120.200 -0.364 0.000 2.058 177 E HA -0.215 4.138 4.350 0.004 0.000 0.194 177 E C 1.935 178.499 176.600 -0.061 0.000 0.997 177 E CA 1.579 57.885 56.400 -0.156 0.000 0.801 177 E CB -0.376 29.312 29.700 -0.020 0.000 0.746 177 E HN 0.452 nan 8.360 nan 0.000 0.450 178 I N 1.162 121.673 120.570 -0.099 0.000 2.202 178 I HA -0.229 3.943 4.170 0.004 0.000 0.242 178 I C 2.495 178.564 176.117 -0.080 0.000 1.091 178 I CA 1.227 62.487 61.300 -0.066 0.000 1.368 178 I CB -1.043 36.902 38.000 -0.091 0.000 1.058 178 I HN 0.151 nan 8.210 nan 0.000 0.410 179 I N 0.133 120.603 120.570 -0.168 0.000 2.127 179 I HA -0.385 3.787 4.170 0.004 0.000 0.241 179 I C 2.766 178.758 176.117 -0.209 0.000 1.075 179 I CA 1.768 62.921 61.300 -0.245 0.000 1.334 179 I CB -0.659 37.051 38.000 -0.482 0.000 1.040 179 I HN 0.140 nan 8.210 nan 0.000 0.405 180 Y N 2.096 122.220 120.300 -0.292 0.000 2.114 180 Y HA -0.356 4.196 4.550 0.004 0.000 0.282 180 Y C 2.244 178.111 175.900 -0.055 0.000 1.165 180 Y CA 2.033 60.037 58.100 -0.159 0.000 1.148 180 Y CB -0.392 38.047 38.460 -0.034 0.000 0.972 180 Y HN 0.218 nan 8.280 nan 0.000 0.504 181 D N -0.156 120.241 120.400 -0.006 0.000 2.178 181 D HA -0.136 4.506 4.640 0.004 0.000 0.201 181 D C 1.968 178.251 176.300 -0.029 0.000 0.980 181 D CA 1.355 55.339 54.000 -0.027 0.000 0.842 181 D CB -0.085 40.754 40.800 0.065 0.000 0.948 181 D HN 0.454 nan 8.370 nan 0.000 0.472 182 K N 0.187 120.594 120.400 0.011 0.000 2.044 182 K HA -0.051 4.271 4.320 0.004 0.000 0.204 182 K C 2.148 178.859 176.600 0.185 0.000 1.049 182 K CA 0.421 56.795 56.287 0.144 0.000 0.945 182 K CB -0.025 32.590 32.500 0.193 0.000 0.724 182 K HN 0.043 nan 8.250 nan 0.000 0.440 183 Q N 1.555 121.370 119.800 0.025 0.000 2.061 183 Q HA -0.233 4.110 4.340 0.004 0.000 0.204 183 Q C 2.062 178.006 176.000 -0.093 0.000 0.984 183 Q CA 1.784 57.527 55.803 -0.101 0.000 0.846 183 Q CB 0.050 28.487 28.738 -0.502 0.000 0.902 183 Q HN 0.105 nan 8.270 nan 0.000 0.421 184 K N 0.154 120.393 120.400 -0.268 0.000 2.209 184 K HA -0.168 4.155 4.320 0.004 0.000 0.204 184 K C 1.861 178.428 176.600 -0.056 0.000 1.048 184 K CA 1.275 57.414 56.287 -0.248 0.000 0.940 184 K CB -0.111 32.120 32.500 -0.448 0.000 0.729 184 K HN 0.235 nan 8.250 nan 0.000 0.451 185 N N 0.208 118.935 118.700 0.045 0.000 2.216 185 N HA -0.171 4.571 4.740 0.004 0.000 0.183 185 N C 1.730 177.372 175.510 0.220 0.000 1.017 185 N CA 0.980 54.121 53.050 0.152 0.000 0.861 185 N CB -0.102 38.509 38.487 0.207 0.000 0.986 185 N HN 0.233 nan 8.380 nan 0.000 0.428 186 F N 1.639 121.621 119.950 0.054 0.000 2.128 186 F HA 0.086 4.616 4.527 0.004 0.000 0.295 186 F C 2.210 178.001 175.800 -0.015 0.000 1.100 186 F CA 0.779 58.643 58.000 -0.226 0.000 1.260 186 F CB -0.466 38.343 39.000 -0.317 0.000 1.009 186 F HN -0.079 nan 8.300 nan 0.000 0.476 187 I N 0.987 121.454 120.570 -0.172 0.000 2.151 187 I HA -0.407 3.766 4.170 0.004 0.000 0.243 187 I C 2.102 178.118 176.117 -0.168 0.000 1.080 187 I CA 1.613 62.776 61.300 -0.228 0.000 1.339 187 I CB -0.741 37.200 38.000 -0.097 0.000 1.039 187 I HN 0.212 nan 8.210 nan 0.000 0.409 188 N N 0.075 118.727 118.700 -0.080 0.000 2.149 188 N HA -0.260 4.483 4.740 0.004 0.000 0.188 188 N C 1.776 177.272 175.510 -0.023 0.000 1.019 188 N CA 1.502 54.533 53.050 -0.030 0.000 0.857 188 N CB -0.597 37.899 38.487 0.016 0.000 0.997 188 N HN 0.434 nan 8.380 nan 0.000 0.426 189 Y N 0.568 120.783 120.300 -0.142 0.000 2.133 189 Y HA -0.256 4.296 4.550 0.004 0.000 0.287 189 Y C 2.455 178.247 175.900 -0.180 0.000 1.134 189 Y CA 1.372 59.409 58.100 -0.105 0.000 1.133 189 Y CB -0.886 37.584 38.460 0.016 0.000 0.987 189 Y HN 0.051 nan 8.280 nan 0.000 0.502 190 Y N 1.371 121.355 120.300 -0.526 0.000 2.062 190 Y HA -0.368 4.185 4.550 0.004 0.000 0.276 190 Y C 2.305 177.999 175.900 -0.343 0.000 1.189 190 Y CA 2.663 60.457 58.100 -0.510 0.000 1.130 190 Y CB -0.412 37.661 38.460 -0.645 0.000 0.959 190 Y HN 0.117 nan 8.280 nan 0.000 0.499 191 K N -0.556 119.718 120.400 -0.211 0.000 2.103 191 K HA -0.072 4.250 4.320 0.004 0.000 0.204 191 K C 2.360 178.820 176.600 -0.234 0.000 1.052 191 K CA 0.861 57.029 56.287 -0.198 0.000 0.945 191 K CB -0.341 32.117 32.500 -0.071 0.000 0.722 191 K HN 0.400 nan 8.250 nan 0.000 0.443 192 A N 1.420 124.099 122.820 -0.235 0.000 1.877 192 A HA -0.201 4.121 4.320 0.004 0.000 0.216 192 A C 2.095 179.507 177.584 -0.287 0.000 1.186 192 A CA 1.310 53.217 52.037 -0.216 0.000 0.620 192 A CB -0.326 18.572 19.000 -0.171 0.000 0.822 192 A HN 0.181 nan 8.150 nan 0.000 0.443 193 Q N -0.776 118.754 119.800 -0.450 0.000 2.079 193 Q HA -0.145 4.197 4.340 0.004 0.000 0.200 193 Q C 2.197 177.994 176.000 -0.338 0.000 0.974 193 Q CA 1.658 57.204 55.803 -0.429 0.000 0.840 193 Q CB -0.378 28.011 28.738 -0.583 0.000 0.898 193 Q HN 0.770 nan 8.270 nan 0.000 0.430 194 R N 0.862 121.111 120.500 -0.418 0.000 2.148 194 R HA -0.148 4.194 4.340 0.004 0.000 0.223 194 R C 1.970 178.143 176.300 -0.211 0.000 1.088 194 R CA 1.383 57.273 56.100 -0.350 0.000 0.985 194 R CB 0.121 30.125 30.300 -0.494 0.000 0.880 194 R HN 0.196 nan 8.270 nan 0.000 0.451 195 E N 0.311 120.396 120.200 -0.191 0.000 2.112 195 E HA -0.190 4.163 4.350 0.004 0.000 0.190 195 E C 1.690 178.227 176.600 -0.105 0.000 0.979 195 E CA 1.397 57.721 56.400 -0.127 0.000 0.814 195 E CB 0.076 29.708 29.700 -0.113 0.000 0.762 195 E HN 0.454 nan 8.360 nan 0.000 0.460 196 E N -0.264 119.863 120.200 -0.121 0.000 2.042 196 E HA -0.051 4.301 4.350 0.004 0.000 0.189 196 E C 0.139 176.691 176.600 -0.081 0.000 0.974 196 E CA 0.527 56.871 56.400 -0.093 0.000 0.806 196 E CB 0.233 29.871 29.700 -0.102 0.000 0.769 196 E HN 0.047 nan 8.360 nan 0.000 0.451 197 N N 0.154 118.795 118.700 -0.099 0.000 2.696 197 N HA 0.172 4.915 4.740 0.004 0.000 0.246 197 N C -2.378 173.080 175.510 -0.087 0.000 1.057 197 N CA -1.904 51.100 53.050 -0.075 0.000 0.867 197 N CB 1.461 39.913 38.487 -0.059 0.000 1.141 197 N HN -0.051 nan 8.380 nan 0.000 0.517 198 P HA -0.053 nan 4.420 nan 0.000 0.223 198 P C 0.609 177.882 177.300 -0.045 0.000 1.144 198 P CA 0.991 64.049 63.100 -0.070 0.000 0.783 198 P CB 0.501 32.170 31.700 -0.050 0.000 0.771 199 E N -0.804 119.377 120.200 -0.031 0.000 2.435 199 E HA 0.043 4.396 4.350 0.004 0.000 0.195 199 E C 0.663 177.266 176.600 0.005 0.000 1.029 199 E CA 0.131 56.527 56.400 -0.007 0.000 0.865 199 E CB -0.050 29.650 29.700 0.001 0.000 0.833 199 E HN 0.377 nan 8.360 nan 0.000 0.510 200 L N 2.736 123.949 121.223 -0.016 0.000 2.410 200 L HA 0.183 4.525 4.340 0.004 0.000 0.273 200 L C 0.836 177.727 176.870 0.034 0.000 1.144 200 L CA -0.329 54.514 54.840 0.006 0.000 0.863 200 L CB 0.299 42.341 42.059 -0.028 0.000 1.140 200 L HN 0.028 nan 8.230 nan 0.000 0.463 201 I N 0.386 121.006 120.570 0.084 0.000 2.764 201 I HA 0.165 4.338 4.170 0.004 0.000 0.294 201 I C 1.334 177.559 176.117 0.180 0.000 1.045 201 I CA -0.509 60.868 61.300 0.127 0.000 1.340 201 I CB 0.853 38.933 38.000 0.133 0.000 1.436 201 I HN 0.546 nan 8.210 nan 0.000 0.567 202 I N 1.490 122.200 120.570 0.233 0.000 2.113 202 I HA -0.308 3.865 4.170 0.004 0.000 0.242 202 I C 1.892 178.176 176.117 0.280 0.000 1.057 202 I CA 1.955 63.445 61.300 0.317 0.000 1.314 202 I CB -0.564 37.582 38.000 0.243 0.000 1.022 202 I HN 0.729 nan 8.210 nan 0.000 0.408 203 D N 0.593 121.126 120.400 0.222 0.000 2.182 203 D HA -0.165 4.477 4.640 0.004 0.000 0.201 203 D C 1.767 178.200 176.300 0.222 0.000 0.986 203 D CA 1.139 55.272 54.000 0.222 0.000 0.847 203 D CB -0.380 40.562 40.800 0.237 0.000 0.942 203 D HN 0.374 nan 8.370 nan 0.000 0.467 204 D N 0.426 120.950 120.400 0.205 0.000 2.084 204 D HA -0.110 4.533 4.640 0.004 0.000 0.194 204 D C 2.318 178.761 176.300 0.239 0.000 0.990 204 D CA 0.450 54.563 54.000 0.189 0.000 0.826 204 D CB -0.234 40.652 40.800 0.144 0.000 0.971 204 D HN 0.230 nan 8.370 nan 0.000 0.453 205 I N 0.893 121.625 120.570 0.270 0.000 2.127 205 I HA -0.215 3.958 4.170 0.004 0.000 0.241 205 I C 2.558 178.993 176.117 0.530 0.000 1.075 205 I CA 0.849 62.380 61.300 0.385 0.000 1.334 205 I CB -1.141 37.070 38.000 0.351 0.000 1.040 205 I HN -0.071 nan 8.210 nan 0.000 0.405 206 V N 2.395 122.584 119.914 0.458 0.000 2.287 206 V HA -0.289 3.834 4.120 0.004 0.000 0.248 206 V C 2.718 178.996 176.094 0.306 0.000 1.053 206 V CA 2.491 65.025 62.300 0.391 0.000 1.027 206 V CB -0.867 31.080 31.823 0.206 0.000 0.646 206 V HN 0.563 nan 8.190 nan 0.000 0.447 207 K N -0.362 120.182 120.400 0.239 0.000 2.103 207 K HA -0.130 4.192 4.320 0.004 0.000 0.204 207 K C 1.968 178.672 176.600 0.173 0.000 1.052 207 K CA 1.851 58.242 56.287 0.174 0.000 0.945 207 K CB -0.737 31.852 32.500 0.148 0.000 0.722 207 K HN 0.401 nan 8.250 nan 0.000 0.443 208 T N 0.674 115.360 114.554 0.220 0.000 2.777 208 T HA -0.170 4.182 4.350 0.004 0.000 0.266 208 T C 1.480 176.263 174.700 0.139 0.000 1.040 208 T CA 1.303 63.516 62.100 0.190 0.000 1.141 208 T CB -0.433 68.591 68.868 0.261 0.000 0.868 208 T HN 0.342 nan 8.240 nan 0.000 0.444 209 Y N 1.691 122.037 120.300 0.077 0.000 2.145 209 Y HA -0.063 4.489 4.550 0.004 0.000 0.286 209 Y C 2.031 177.942 175.900 0.019 0.000 1.145 209 Y CA 1.174 59.240 58.100 -0.056 0.000 1.148 209 Y CB -0.471 38.082 38.460 0.155 0.000 0.981 209 Y HN 0.099 nan 8.280 nan 0.000 0.507 210 L N -0.967 120.366 121.223 0.183 0.000 2.131 210 L HA -0.222 4.120 4.340 0.004 0.000 0.210 210 L C 2.781 179.669 176.870 0.031 0.000 1.092 210 L CA 1.549 56.465 54.840 0.125 0.000 0.759 210 L CB -0.696 41.426 42.059 0.104 0.000 0.903 210 L HN 0.252 nan 8.230 nan 0.000 0.435 211 S N 0.094 115.799 115.700 0.009 0.000 2.357 211 S HA -0.127 4.346 4.470 0.004 0.000 0.221 211 S C 1.806 176.353 174.600 -0.088 0.000 1.031 211 S CA 1.314 59.503 58.200 -0.019 0.000 0.982 211 S CB -0.109 63.097 63.200 0.011 0.000 0.853 211 S HN 0.438 nan 8.310 nan 0.000 0.458 212 N N 1.121 119.730 118.700 -0.152 0.000 2.270 212 N HA 0.016 4.759 4.740 0.004 0.000 0.181 212 N C 1.495 176.808 175.510 -0.327 0.000 1.016 212 N CA 1.025 53.944 53.050 -0.218 0.000 0.870 212 N CB -0.197 38.138 38.487 -0.253 0.000 0.979 212 N HN 0.528 nan 8.380 nan 0.000 0.431 213 E N -1.144 118.769 120.200 -0.479 0.000 2.413 213 E HA 0.108 4.460 4.350 0.004 0.000 0.203 213 E C 0.323 176.417 176.600 -0.842 0.000 0.957 213 E CA 0.332 56.294 56.400 -0.730 0.000 0.950 213 E CB 0.269 29.301 29.700 -1.114 0.000 0.957 213 E HN 0.415 nan 8.360 nan 0.000 0.497 214 Y N 0.201 120.380 120.300 -0.203 0.000 2.675 214 Y HA 0.179 4.732 4.550 0.004 0.000 0.248 214 Y C 0.268 176.110 175.900 -0.096 0.000 1.161 214 Y CA -0.327 57.695 58.100 -0.130 0.000 1.203 214 Y CB 0.684 39.074 38.460 -0.117 0.000 1.262 214 Y HN -0.196 nan 8.280 nan 0.000 0.544 215 S N 0.636 116.327 115.700 -0.015 0.000 3.682 215 S HA -0.170 4.302 4.470 0.004 0.000 0.354 215 S C -0.133 174.471 174.600 0.006 0.000 1.034 215 S CA 0.450 58.640 58.200 -0.017 0.000 1.084 215 S CB -1.160 62.027 63.200 -0.021 0.000 0.903 215 S HN 0.227 nan 8.310 nan 0.000 0.470 216 K N 1.773 122.183 120.400 0.016 0.000 2.174 216 K HA 0.310 4.632 4.320 0.004 0.000 0.275 216 K C 0.494 177.099 176.600 0.009 0.000 1.015 216 K CA -0.378 55.915 56.287 0.009 0.000 0.933 216 K CB 0.495 33.000 32.500 0.008 0.000 1.025 216 K HN 0.242 nan 8.250 nan 0.000 0.463 217 E N 2.860 123.064 120.200 0.007 0.000 2.259 217 E HA 0.067 4.419 4.350 0.004 0.000 0.281 217 E C 1.326 177.941 176.600 0.026 0.000 1.037 217 E CA -0.105 56.303 56.400 0.014 0.000 0.854 217 E CB 0.808 30.515 29.700 0.011 0.000 1.051 217 E HN 0.465 nan 8.360 nan 0.000 0.409 218 I N 2.200 122.791 120.570 0.035 0.000 2.286 218 I HA -0.299 3.874 4.170 0.004 0.000 0.248 218 I C 1.412 177.561 176.117 0.054 0.000 1.115 218 I CA 0.978 62.309 61.300 0.052 0.000 1.392 218 I CB 0.029 38.063 38.000 0.057 0.000 1.065 218 I HN 0.357 nan 8.210 nan 0.000 0.418 219 D N 0.813 121.239 120.400 0.043 0.000 2.123 219 D HA -0.203 4.440 4.640 0.004 0.000 0.196 219 D C 2.091 178.420 176.300 0.048 0.000 0.992 219 D CA 1.366 55.391 54.000 0.042 0.000 0.833 219 D CB -0.185 40.634 40.800 0.031 0.000 0.954 219 D HN 0.461 nan 8.370 nan 0.000 0.455 220 E N -0.092 120.133 120.200 0.043 0.000 2.107 220 E HA -0.023 4.330 4.350 0.004 0.000 0.191 220 E C 2.370 179.016 176.600 0.077 0.000 0.982 220 E CA 0.206 56.635 56.400 0.048 0.000 0.809 220 E CB 0.026 29.742 29.700 0.026 0.000 0.756 220 E HN 0.242 nan 8.360 nan 0.000 0.459 221 L N 1.224 122.488 121.223 0.067 0.000 2.046 221 L HA -0.184 4.158 4.340 0.004 0.000 0.208 221 L C 2.116 179.080 176.870 0.156 0.000 1.077 221 L CA 0.753 55.652 54.840 0.098 0.000 0.747 221 L CB -0.486 41.616 42.059 0.072 0.000 0.896 221 L HN 0.136 nan 8.230 nan 0.000 0.432 222 N N -0.396 118.372 118.700 0.114 0.000 2.104 222 N HA -0.153 4.589 4.740 0.004 0.000 0.190 222 N C 1.852 177.411 175.510 0.082 0.000 1.024 222 N CA 1.890 55.002 53.050 0.103 0.000 0.853 222 N CB -0.516 38.018 38.487 0.079 0.000 1.008 222 N HN 0.277 nan 8.380 nan 0.000 0.424 223 T N 0.285 114.885 114.554 0.077 0.000 2.746 223 T HA -0.159 4.193 4.350 0.004 0.000 0.267 223 T C 1.718 176.444 174.700 0.044 0.000 1.039 223 T CA 0.975 63.105 62.100 0.050 0.000 1.142 223 T CB -0.443 68.455 68.868 0.049 0.000 0.866 223 T HN 0.314 nan 8.240 nan 0.000 0.444 224 Y N 1.553 121.836 120.300 -0.030 0.000 2.114 224 Y HA -0.131 4.421 4.550 0.004 0.000 0.284 224 Y C 2.083 177.915 175.900 -0.114 0.000 1.143 224 Y CA 1.043 59.113 58.100 -0.050 0.000 1.135 224 Y CB -0.489 37.963 38.460 -0.014 0.000 0.980 224 Y HN 0.140 nan 8.280 nan 0.000 0.499 225 I N 0.408 120.998 120.570 0.032 0.000 2.151 225 I HA -0.382 3.790 4.170 0.004 0.000 0.243 225 I C 2.242 178.170 176.117 -0.315 0.000 1.080 225 I CA 2.120 63.340 61.300 -0.134 0.000 1.339 225 I CB -0.448 37.630 38.000 0.129 0.000 1.039 225 I HN 0.357 nan 8.210 nan 0.000 0.409 226 E N 0.270 120.378 120.200 -0.154 0.000 2.110 226 E HA -0.232 4.120 4.350 0.004 0.000 0.193 226 E C 2.085 178.554 176.600 -0.219 0.000 0.988 226 E CA 1.155 57.469 56.400 -0.142 0.000 0.804 226 E CB -0.041 29.625 29.700 -0.057 0.000 0.745 226 E HN 0.534 nan 8.360 nan 0.000 0.458 227 E N 0.358 120.401 120.200 -0.262 0.000 2.046 227 E HA -0.102 4.250 4.350 0.004 0.000 0.190 227 E C 2.212 178.579 176.600 -0.389 0.000 0.982 227 E CA 1.099 57.335 56.400 -0.274 0.000 0.800 227 E CB 0.074 29.630 29.700 -0.240 0.000 0.756 227 E HN 0.029 nan 8.360 nan 0.000 0.449 228 S N 1.176 116.506 115.700 -0.617 0.000 2.374 228 S HA -0.192 4.280 4.470 0.004 0.000 0.227 228 S C 1.928 176.116 174.600 -0.686 0.000 1.037 228 S CA 0.949 58.710 58.200 -0.732 0.000 1.024 228 S CB -0.271 62.256 63.200 -1.121 0.000 0.861 228 S HN 0.139 nan 8.310 nan 0.000 0.456 229 L N 2.588 123.378 121.223 -0.721 0.000 2.017 229 L HA -0.059 4.283 4.340 0.004 0.000 0.208 229 L C 1.675 178.406 176.870 -0.231 0.000 1.073 229 L CA 1.724 56.343 54.840 -0.368 0.000 0.745 229 L CB -0.923 41.048 42.059 -0.148 0.000 0.894 229 L HN 0.115 nan 8.230 nan 0.000 0.432 230 N N -0.071 118.505 118.700 -0.207 0.000 2.120 230 N HA -0.213 4.530 4.740 0.004 0.000 0.188 230 N C 1.823 177.243 175.510 -0.150 0.000 1.024 230 N CA 1.406 54.371 53.050 -0.142 0.000 0.852 230 N CB -0.292 38.124 38.487 -0.119 0.000 1.003 230 N HN 0.398 nan 8.380 nan 0.000 0.424 231 K N 0.178 120.464 120.400 -0.189 0.000 2.057 231 K HA -0.047 4.276 4.320 0.004 0.000 0.207 231 K C 1.816 178.321 176.600 -0.158 0.000 1.049 231 K CA 0.755 56.944 56.287 -0.164 0.000 0.931 231 K CB -0.133 32.260 32.500 -0.180 0.000 0.714 231 K HN 0.020 nan 8.250 nan 0.000 0.440 232 I N 0.972 121.416 120.570 -0.210 0.000 2.439 232 I HA -0.175 3.997 4.170 0.004 0.000 0.251 232 I C 1.655 177.660 176.117 -0.187 0.000 1.139 232 I CA 1.505 62.667 61.300 -0.229 0.000 1.438 232 I CB -0.226 37.528 38.000 -0.411 0.000 1.085 232 I HN 0.126 nan 8.210 nan 0.000 0.427 233 T N 0.470 114.922 114.554 -0.169 0.000 2.788 233 T HA -0.163 4.190 4.350 0.004 0.000 0.268 233 T C 1.711 176.379 174.700 -0.053 0.000 1.044 233 T CA 1.188 63.244 62.100 -0.073 0.000 1.139 233 T CB -0.184 68.657 68.868 -0.045 0.000 0.867 233 T HN 0.323 nan 8.240 nan 0.000 0.454 234 Q N 1.185 120.943 119.800 -0.069 0.000 2.436 234 Q HA 0.109 4.451 4.340 0.004 0.000 0.209 234 Q C 0.576 176.543 176.000 -0.055 0.000 0.965 234 Q CA 0.647 56.416 55.803 -0.057 0.000 0.910 234 Q CB -0.054 28.646 28.738 -0.064 0.000 0.980 234 Q HN 0.506 nan 8.270 nan 0.000 0.491 235 N N -0.033 118.630 118.700 -0.063 0.000 2.644 235 N HA 0.088 4.830 4.740 0.004 0.000 0.313 235 N C -0.797 174.689 175.510 -0.040 0.000 1.863 235 N CA -0.082 52.932 53.050 -0.060 0.000 0.918 235 N CB 1.093 39.532 38.487 -0.081 0.000 1.320 235 N HN -0.125 nan 8.380 nan 0.000 0.490 236 S N -0.763 114.922 115.700 -0.025 0.000 3.561 236 S HA -0.157 4.315 4.470 0.004 0.000 0.318 236 S C 0.954 175.556 174.600 0.002 0.000 1.181 236 S CA 0.686 58.878 58.200 -0.013 0.000 0.916 236 S CB -1.445 61.747 63.200 -0.012 0.000 0.966 236 S HN 0.722 nan 8.310 nan 0.000 0.550 237 G N 1.226 110.045 108.800 0.031 0.000 2.474 237 G HA2 0.337 4.299 3.960 0.004 0.000 0.233 237 G HA3 0.337 4.299 3.960 0.004 0.000 0.233 237 G C -0.152 174.874 174.900 0.209 0.000 1.278 237 G CA 0.040 45.231 45.100 0.152 0.000 0.861 237 G HN 0.378 nan 8.290 nan 0.000 0.567 238 N N 0.589 119.434 118.700 0.242 0.000 2.454 238 N HA 0.168 4.911 4.740 0.004 0.000 0.291 238 N C -1.967 173.492 175.510 -0.086 0.000 1.079 238 N CA -0.652 52.363 53.050 -0.059 0.000 0.893 238 N CB 2.402 40.521 38.487 -0.614 0.000 1.512 238 N HN 0.406 nan 8.380 nan 0.000 0.497 239 D N 2.733 123.034 120.400 -0.165 0.000 2.280 239 D HA 0.181 4.823 4.640 0.004 0.000 0.243 239 D C 1.382 177.666 176.300 -0.027 0.000 1.129 239 D CA -0.388 53.343 54.000 -0.449 0.000 0.848 239 D CB 1.606 42.192 40.800 -0.357 0.000 1.107 239 D HN 0.240 nan 8.370 nan 0.000 0.471 240 V N 5.212 125.142 119.914 0.027 0.000 2.453 240 V HA -0.229 3.893 4.120 0.004 0.000 0.252 240 V C 2.196 178.387 176.094 0.161 0.000 1.068 240 V CA 1.476 63.893 62.300 0.194 0.000 1.070 240 V CB -0.470 31.458 31.823 0.175 0.000 0.664 240 V HN 0.574 nan 8.190 nan 0.000 0.461 241 R N 0.545 121.084 120.500 0.065 0.000 2.339 241 R HA 0.033 4.376 4.340 0.004 0.000 0.199 241 R C 1.069 177.388 176.300 0.033 0.000 1.018 241 R CA 0.425 56.552 56.100 0.045 0.000 1.036 241 R CB -0.478 29.853 30.300 0.052 0.000 0.899 241 R HN 0.559 nan 8.270 nan 0.000 0.473 242 N N -0.478 118.265 118.700 0.073 0.000 2.197 242 N HA -0.018 4.725 4.740 0.004 0.000 0.201 242 N C -0.342 175.272 175.510 0.173 0.000 1.148 242 N CA -0.086 53.016 53.050 0.087 0.000 0.883 242 N CB 0.253 38.782 38.487 0.070 0.000 1.012 242 N HN -0.021 nan 8.380 nan 0.000 0.507 243 F N 2.631 122.594 119.950 0.021 0.000 2.600 243 F HA 0.333 4.862 4.527 0.004 0.000 0.345 243 F C 1.518 177.301 175.800 -0.029 0.000 1.271 243 F CA -1.248 56.772 58.000 0.034 0.000 1.138 243 F CB -0.434 38.603 39.000 0.060 0.000 1.449 243 F HN -0.020 nan 8.300 nan 0.000 0.645 244 G N 3.579 112.492 108.800 0.188 0.000 2.421 244 G HA2 -0.275 3.687 3.960 0.004 0.000 0.216 244 G HA3 -0.275 3.687 3.960 0.004 0.000 0.216 244 G C 1.353 176.163 174.900 -0.150 0.000 1.171 244 G CA 0.595 45.677 45.100 -0.029 0.000 0.775 244 G HN 0.508 nan 8.290 nan 0.000 0.543 245 E N -0.237 119.902 120.200 -0.101 0.000 2.153 245 E HA -0.058 4.295 4.350 0.004 0.000 0.194 245 E C 1.903 178.275 176.600 -0.381 0.000 0.988 245 E CA 0.570 56.858 56.400 -0.187 0.000 0.811 245 E CB -0.311 29.355 29.700 -0.056 0.000 0.746 245 E HN 0.445 nan 8.360 nan 0.000 0.466 246 F N 1.505 120.877 119.950 -0.963 0.000 2.098 246 F HA -0.029 4.501 4.527 0.004 0.000 0.294 246 F C 1.802 177.210 175.800 -0.653 0.000 1.107 246 F CA 1.304 58.743 58.000 -0.936 0.000 1.234 246 F CB -0.059 38.075 39.000 -1.442 0.000 1.002 246 F HN -0.192 nan 8.300 nan 0.000 0.472 247 K N -0.018 119.882 120.400 -0.833 0.000 2.089 247 K HA -0.218 4.105 4.320 0.004 0.000 0.210 247 K C 1.352 177.470 176.600 -0.803 0.000 1.048 247 K CA 1.700 57.232 56.287 -1.259 0.000 0.926 247 K CB -0.318 31.680 32.500 -0.837 0.000 0.714 247 K HN 0.318 nan 8.250 nan 0.000 0.448 248 N N -0.129 118.287 118.700 -0.474 0.000 2.353 248 N HA 0.006 4.749 4.740 0.004 0.000 0.185 248 N C 0.682 176.051 175.510 -0.234 0.000 1.098 248 N CA 0.277 53.151 53.050 -0.293 0.000 0.872 248 N CB 0.400 38.764 38.487 -0.204 0.000 0.970 248 N HN 0.113 nan 8.380 nan 0.000 0.467 249 G N 0.281 108.914 108.800 -0.278 0.000 2.580 249 G HA2 0.100 4.062 3.960 0.004 0.000 0.278 249 G HA3 0.100 4.062 3.960 0.004 0.000 0.278 249 G C 0.538 175.335 174.900 -0.171 0.000 1.212 249 G CA -0.380 44.598 45.100 -0.203 0.000 0.939 249 G HN 0.060 nan 8.290 nan 0.000 0.513 250 E N -0.485 119.637 120.200 -0.131 0.000 2.516 250 E HA -0.025 4.328 4.350 0.004 0.000 0.199 250 E C 1.728 178.254 176.600 -0.124 0.000 1.069 250 E CA 0.332 56.668 56.400 -0.107 0.000 0.876 250 E CB 0.210 29.859 29.700 -0.085 0.000 0.843 250 E HN 0.284 nan 8.360 nan 0.000 0.530 251 S N -0.223 115.382 115.700 -0.159 0.000 2.524 251 S HA 0.055 4.528 4.470 0.004 0.000 0.215 251 S C 1.073 175.520 174.600 -0.255 0.000 0.986 251 S CA -0.416 57.679 58.200 -0.175 0.000 0.911 251 S CB 0.082 63.235 63.200 -0.079 0.000 0.805 251 S HN 0.246 nan 8.310 nan 0.000 0.501 252 F N 4.819 124.454 119.950 -0.525 0.000 2.134 252 F HA -0.126 4.403 4.527 0.004 0.000 0.299 252 F C 2.282 177.940 175.800 -0.236 0.000 1.097 252 F CA 1.509 59.164 58.000 -0.574 0.000 1.264 252 F CB -0.420 38.216 39.000 -0.607 0.000 1.001 252 F HN 0.321 nan 8.300 nan 0.000 0.479 253 N N 1.024 119.634 118.700 -0.151 0.000 2.223 253 N HA -0.216 4.526 4.740 0.004 0.000 0.185 253 N C 1.832 177.204 175.510 -0.231 0.000 1.016 253 N CA 1.945 54.895 53.050 -0.166 0.000 0.863 253 N CB -0.920 37.516 38.487 -0.085 0.000 0.983 253 N HN 0.405 nan 8.380 nan 0.000 0.429 254 L N -0.404 120.651 121.223 -0.280 0.000 2.044 254 L HA -0.119 4.223 4.340 0.004 0.000 0.205 254 L C 2.720 179.369 176.870 -0.367 0.000 1.075 254 L CA 1.346 55.925 54.840 -0.435 0.000 0.747 254 L CB -0.956 40.694 42.059 -0.682 0.000 0.903 254 L HN 0.072 nan 8.230 nan 0.000 0.435 255 Y N 1.329 121.384 120.300 -0.408 0.000 2.151 255 Y HA -0.294 4.258 4.550 0.004 0.000 0.284 255 Y C 2.465 178.161 175.900 -0.341 0.000 1.166 255 Y CA 1.870 59.781 58.100 -0.315 0.000 1.163 255 Y CB -0.141 38.158 38.460 -0.268 0.000 0.974 255 Y HN 0.190 nan 8.280 nan 0.000 0.511 256 E N -0.182 119.742 120.200 -0.460 0.000 2.107 256 E HA -0.257 4.096 4.350 0.004 0.000 0.191 256 E C 2.209 178.620 176.600 -0.315 0.000 0.982 256 E CA 0.935 57.062 56.400 -0.455 0.000 0.809 256 E CB -0.250 29.232 29.700 -0.364 0.000 0.756 256 E HN 0.669 nan 8.360 nan 0.000 0.459 257 Q N 0.990 120.646 119.800 -0.240 0.000 2.096 257 Q HA -0.248 4.095 4.340 0.004 0.000 0.208 257 Q C 1.837 177.759 176.000 -0.130 0.000 0.993 257 Q CA 1.538 57.254 55.803 -0.145 0.000 0.862 257 Q CB 0.126 28.810 28.738 -0.090 0.000 0.915 257 Q HN 0.138 nan 8.270 nan 0.000 0.416 258 E N 0.239 120.337 120.200 -0.169 0.000 2.107 258 E HA -0.132 4.220 4.350 0.004 0.000 0.191 258 E C 2.055 178.552 176.600 -0.172 0.000 0.982 258 E CA 0.612 56.936 56.400 -0.127 0.000 0.809 258 E CB -0.234 29.401 29.700 -0.109 0.000 0.756 258 E HN 0.337 nan 8.360 nan 0.000 0.459 259 L N 0.497 121.535 121.223 -0.308 0.000 2.005 259 L HA -0.116 4.226 4.340 0.004 0.000 0.207 259 L C 2.192 179.034 176.870 -0.047 0.000 1.072 259 L CA 1.464 56.142 54.840 -0.271 0.000 0.744 259 L CB -0.400 41.343 42.059 -0.526 0.000 0.895 259 L HN -0.111 nan 8.230 nan 0.000 0.433 260 V N -0.803 119.048 119.914 -0.104 0.000 2.500 260 V HA -0.063 4.060 4.120 0.004 0.000 0.243 260 V C 2.284 178.437 176.094 0.097 0.000 1.039 260 V CA 1.562 63.844 62.300 -0.031 0.000 1.053 260 V CB -0.346 31.246 31.823 -0.385 0.000 0.695 260 V HN 0.440 nan 8.190 nan 0.000 0.463 261 E N -0.217 119.917 120.200 -0.111 0.000 2.075 261 E HA 0.007 4.359 4.350 0.004 0.000 0.190 261 E C 2.302 178.594 176.600 -0.512 0.000 0.969 261 E CA 0.346 56.614 56.400 -0.220 0.000 0.815 261 E CB 0.006 29.615 29.700 -0.152 0.000 0.776 261 E HN 0.275 nan 8.360 nan 0.000 0.457 262 R N 0.039 120.339 120.500 -0.333 0.000 2.246 262 R HA -0.022 4.320 4.340 0.004 0.000 0.199 262 R C -0.129 176.030 176.300 -0.236 0.000 0.984 262 R CA 0.125 56.030 56.100 -0.324 0.000 1.015 262 R CB -0.048 30.128 30.300 -0.208 0.000 0.930 262 R HN 0.299 nan 8.270 nan 0.000 0.475 263 W N 1.106 122.370 121.300 -0.061 0.000 6.351 263 W HA -0.223 4.440 4.660 0.004 0.000 0.403 263 W C -0.105 176.346 176.519 -0.114 0.000 1.540 263 W CA -0.108 57.188 57.345 -0.081 0.000 1.055 263 W CB -2.922 26.533 29.460 -0.008 0.000 2.721 263 W HN 0.095 nan 8.180 nan 0.000 1.542 264 N N 1.399 120.110 118.700 0.019 0.000 2.621 264 N HA 0.246 4.988 4.740 0.004 0.000 0.237 264 N C 0.690 176.155 175.510 -0.074 0.000 0.997 264 N CA -0.397 52.634 53.050 -0.031 0.000 0.918 264 N CB 0.537 38.982 38.487 -0.070 0.000 1.122 264 N HN -0.112 nan 8.380 nan 0.000 0.510 265 L N 1.825 123.007 121.223 -0.069 0.000 2.313 265 L HA 0.101 4.443 4.340 0.004 0.000 0.214 265 L C 2.065 178.856 176.870 -0.131 0.000 1.119 265 L CA 0.841 55.599 54.840 -0.136 0.000 0.809 265 L CB -1.569 40.367 42.059 -0.205 0.000 0.933 265 L HN 0.535 nan 8.230 nan 0.000 0.449 266 A N 0.327 123.070 122.820 -0.128 0.000 1.898 266 A HA -0.056 4.267 4.320 0.004 0.000 0.216 266 A C 2.557 179.975 177.584 -0.277 0.000 1.181 266 A CA 1.538 53.433 52.037 -0.237 0.000 0.620 266 A CB -0.446 18.243 19.000 -0.517 0.000 0.819 266 A HN 0.340 nan 8.150 nan 0.000 0.442 267 A N -0.109 122.551 122.820 -0.267 0.000 1.933 267 A HA 0.180 4.502 4.320 0.004 0.000 0.218 267 A C 2.471 180.011 177.584 -0.072 0.000 1.175 267 A CA 1.989 53.933 52.037 -0.154 0.000 0.628 267 A CB -0.934 18.031 19.000 -0.058 0.000 0.814 267 A HN 1.019 nan 8.150 nan 0.000 0.444 268 A N -0.866 121.894 122.820 -0.101 0.000 1.933 268 A HA -0.088 4.234 4.320 0.004 0.000 0.218 268 A C 2.461 180.091 177.584 0.076 0.000 1.175 268 A CA 2.078 54.072 52.037 -0.072 0.000 0.628 268 A CB -0.902 17.916 19.000 -0.303 0.000 0.814 268 A HN 0.543 nan 8.150 nan 0.000 0.444 269 S N -0.280 115.415 115.700 -0.008 0.000 2.368 269 S HA -0.192 4.281 4.470 0.004 0.000 0.225 269 S C 1.686 176.223 174.600 -0.104 0.000 1.030 269 S CA 1.705 59.898 58.200 -0.012 0.000 0.999 269 S CB -0.528 62.677 63.200 0.007 0.000 0.844 269 S HN 0.557 nan 8.310 nan 0.000 0.459 270 D N 1.140 121.476 120.400 -0.108 0.000 2.133 270 D HA -0.079 4.564 4.640 0.004 0.000 0.195 270 D C 1.796 178.046 176.300 -0.083 0.000 0.997 270 D CA 1.259 55.194 54.000 -0.110 0.000 0.840 270 D CB -0.338 40.422 40.800 -0.068 0.000 0.947 270 D HN 0.484 nan 8.370 nan 0.000 0.452 271 I N -0.072 120.487 120.570 -0.018 0.000 2.286 271 I HA -0.174 3.998 4.170 0.004 0.000 0.245 271 I C 2.252 178.333 176.117 -0.060 0.000 1.104 271 I CA 0.331 61.647 61.300 0.027 0.000 1.397 271 I CB -0.038 38.033 38.000 0.118 0.000 1.072 271 I HN -0.000 nan 8.210 nan 0.000 0.417 272 L N 1.825 122.943 121.223 -0.176 0.000 2.027 272 L HA -0.167 4.175 4.340 0.004 0.000 0.206 272 L C 2.797 179.314 176.870 -0.588 0.000 1.074 272 L CA 1.653 56.085 54.840 -0.680 0.000 0.745 272 L CB -0.673 41.034 42.059 -0.587 0.000 0.898 272 L HN 0.192 nan 8.230 nan 0.000 0.433 273 R N -0.220 120.012 120.500 -0.447 0.000 2.096 273 R HA -0.229 4.113 4.340 0.004 0.000 0.240 273 R C 2.209 178.287 176.300 -0.369 0.000 1.139 273 R CA 2.223 58.011 56.100 -0.520 0.000 0.952 273 R CB -1.439 28.251 30.300 -1.016 0.000 0.854 273 R HN 0.412 nan 8.270 nan 0.000 0.436 274 I N 1.415 121.827 120.570 -0.264 0.000 2.361 274 I HA -0.204 3.969 4.170 0.004 0.000 0.251 274 I C 2.359 178.375 176.117 -0.169 0.000 1.133 274 I CA 1.553 62.756 61.300 -0.161 0.000 1.413 274 I CB -0.185 37.730 38.000 -0.141 0.000 1.073 274 I HN 0.384 nan 8.210 nan 0.000 0.424 275 S N -0.040 115.524 115.700 -0.227 0.000 2.395 275 S HA -0.021 4.451 4.470 0.004 0.000 0.225 275 S C 2.312 176.864 174.600 -0.079 0.000 1.027 275 S CA 0.934 59.025 58.200 -0.182 0.000 0.965 275 S CB -0.491 62.537 63.200 -0.287 0.000 0.812 275 S HN 0.571 nan 8.310 nan 0.000 0.482 276 A N 1.777 124.472 122.820 -0.209 0.000 1.883 276 A HA -0.019 4.303 4.320 0.004 0.000 0.217 276 A C 2.098 179.512 177.584 -0.284 0.000 1.186 276 A CA 1.609 53.464 52.037 -0.303 0.000 0.624 276 A CB -0.992 17.633 19.000 -0.626 0.000 0.822 276 A HN 0.515 nan 8.150 nan 0.000 0.444 277 L N -0.023 121.062 121.223 -0.231 0.000 2.012 277 L HA -0.167 4.175 4.340 0.004 0.000 0.210 277 L C 2.430 179.284 176.870 -0.028 0.000 1.073 277 L CA 2.359 57.142 54.840 -0.095 0.000 0.748 277 L CB -0.788 41.254 42.059 -0.028 0.000 0.891 277 L HN 0.506 nan 8.230 nan 0.000 0.431 278 K N -0.780 119.600 120.400 -0.034 0.000 2.063 278 K HA -0.176 4.147 4.320 0.004 0.000 0.208 278 K C 1.752 178.366 176.600 0.023 0.000 1.048 278 K CA 1.399 57.679 56.287 -0.013 0.000 0.928 278 K CB 0.149 32.626 32.500 -0.039 0.000 0.713 278 K HN 0.330 nan 8.250 nan 0.000 0.442 279 E N -0.166 120.072 120.200 0.063 0.000 2.250 279 E HA -0.027 4.326 4.350 0.004 0.000 0.192 279 E C 1.865 178.513 176.600 0.079 0.000 0.986 279 E CA 0.619 57.092 56.400 0.120 0.000 0.849 279 E CB 0.446 30.341 29.700 0.325 0.000 0.797 279 E HN 0.397 nan 8.360 nan 0.000 0.482 280 I N -0.975 119.618 120.570 0.038 0.000 3.971 280 I HA 0.234 4.407 4.170 0.004 0.000 0.303 280 I C 1.122 177.302 176.117 0.104 0.000 1.233 280 I CA 0.630 61.966 61.300 0.060 0.000 1.346 280 I CB -0.417 37.631 38.000 0.081 0.000 1.273 280 I HN -0.010 nan 8.210 nan 0.000 0.448 281 G N 0.944 109.808 108.800 0.107 0.000 2.712 281 G HA2 0.287 4.249 3.960 0.004 0.000 0.686 281 G HA3 0.287 4.249 3.960 0.004 0.000 0.686 281 G C 0.040 175.097 174.900 0.261 0.000 1.321 281 G CA -0.158 45.026 45.100 0.140 0.000 0.813 281 G HN 1.105 nan 8.290 nan 0.000 0.599 282 G N -0.215 108.712 108.800 0.211 0.000 2.255 282 G HA2 0.466 4.428 3.960 0.004 0.000 0.216 282 G HA3 0.466 4.428 3.960 0.004 0.000 0.216 282 G C -0.341 174.683 174.900 0.206 0.000 1.307 282 G CA 0.354 45.581 45.100 0.213 0.000 1.162 282 G HN 2.135 nan 8.290 nan 0.000 0.494 283 M N 0.503 120.197 119.600 0.157 0.000 2.259 283 M HA 0.693 5.176 4.480 0.004 0.000 0.304 283 M C -1.311 174.983 176.300 -0.011 0.000 1.019 283 M CA -0.975 54.357 55.300 0.054 0.000 0.922 283 M CB 1.763 34.326 32.600 -0.063 0.000 1.600 283 M HN 0.828 nan 8.290 nan 0.000 0.433 284 Y N 5.321 125.582 120.300 -0.064 0.000 2.334 284 Y HA 0.725 5.277 4.550 0.004 0.000 0.328 284 Y C -1.919 173.804 175.900 -0.295 0.000 1.130 284 Y CA -0.411 57.605 58.100 -0.138 0.000 1.163 284 Y CB 0.993 39.424 38.460 -0.049 0.000 1.207 284 Y HN 0.702 nan 8.280 nan 0.000 0.471 285 L N 5.360 125.653 121.223 -1.551 0.000 2.431 285 L HA 0.320 4.663 4.340 0.004 0.000 0.266 285 L C -0.892 175.345 176.870 -1.055 0.000 0.978 285 L CA -1.101 53.062 54.840 -1.128 0.000 0.822 285 L CB 1.885 43.277 42.059 -1.112 0.000 1.310 285 L HN 0.611 nan 8.230 nan 0.000 0.409 286 D N 0.786 120.999 120.400 -0.312 0.000 2.423 286 D HA 0.033 4.675 4.640 0.004 0.000 0.238 286 D C 1.188 177.629 176.300 0.234 0.000 1.142 286 D CA 0.048 54.102 54.000 0.090 0.000 0.884 286 D CB 1.861 42.798 40.800 0.229 0.000 1.199 286 D HN 0.405 nan 8.370 nan 0.000 0.438 287 V N -0.311 119.800 119.914 0.328 0.000 3.241 287 V HA -0.156 3.966 4.120 0.004 0.000 0.269 287 V C 0.939 177.143 176.094 0.184 0.000 1.151 287 V CA 1.348 63.813 62.300 0.275 0.000 1.158 287 V CB -0.663 31.253 31.823 0.155 0.000 0.764 287 V HN 0.443 nan 8.190 nan 0.000 0.508 288 D N -1.356 119.172 120.400 0.213 0.000 2.388 288 D HA 0.162 4.804 4.640 0.004 0.000 0.221 288 D C 0.516 177.101 176.300 0.474 0.000 1.133 288 D CA -0.061 54.052 54.000 0.187 0.000 0.831 288 D CB -0.051 40.822 40.800 0.121 0.000 0.962 288 D HN 0.371 nan 8.370 nan 0.000 0.502 289 M N 0.677 120.594 119.600 0.528 0.000 2.404 289 M HA 0.472 4.954 4.480 0.004 0.000 0.338 289 M C -0.408 176.319 176.300 0.711 0.000 1.150 289 M CA -0.605 55.017 55.300 0.538 0.000 1.016 289 M CB 2.335 35.197 32.600 0.437 0.000 1.672 289 M HN -0.086 nan 8.290 nan 0.000 0.448 290 L N 2.350 123.784 121.223 0.353 0.000 2.301 290 L HA 0.590 4.932 4.340 0.004 0.000 0.264 290 L C -2.210 174.246 176.870 -0.691 0.000 1.016 290 L CA -2.012 52.685 54.840 -0.238 0.000 0.821 290 L CB 2.389 44.231 42.059 -0.363 0.000 1.346 290 L HN 0.357 nan 8.230 nan 0.000 0.429 291 P HA -0.010 nan 4.420 nan 0.000 0.269 291 P C -0.342 176.697 177.300 -0.435 0.000 1.211 291 P CA -0.145 62.091 63.100 -1.442 0.000 0.781 291 P CB 0.354 31.173 31.700 -1.468 0.000 0.877 292 G N 1.675 110.376 108.800 -0.164 0.000 2.398 292 G HA2 0.267 4.230 3.960 0.004 0.000 0.246 292 G HA3 0.267 4.230 3.960 0.004 0.000 0.246 292 G C -0.051 174.945 174.900 0.160 0.000 1.289 292 G CA -0.487 44.642 45.100 0.049 0.000 0.869 292 G HN 0.395 nan 8.290 nan 0.000 0.543 293 I N 1.463 122.120 120.570 0.145 0.000 2.634 293 I HA 0.007 4.180 4.170 0.004 0.000 0.284 293 I C 0.689 176.804 176.117 -0.003 0.000 1.124 293 I CA -0.427 60.899 61.300 0.044 0.000 1.417 293 I CB 0.877 38.900 38.000 0.039 0.000 1.396 293 I HN 0.287 nan 8.210 nan 0.000 0.571 294 Q N 6.631 126.380 119.800 -0.085 0.000 2.263 294 Q HA -0.003 4.340 4.340 0.004 0.000 0.289 294 Q C -1.498 174.464 176.000 -0.064 0.000 1.061 294 Q CA -0.984 54.772 55.803 -0.078 0.000 0.927 294 Q CB 0.379 29.040 28.738 -0.127 0.000 1.154 294 Q HN 0.378 nan 8.270 nan 0.000 0.378 295 P HA -0.222 nan 4.420 nan 0.000 0.217 295 P C 0.511 177.805 177.300 -0.009 0.000 1.158 295 P CA 1.776 64.879 63.100 0.005 0.000 0.887 295 P CB 0.183 31.889 31.700 0.009 0.000 0.792 296 D N -1.922 118.452 120.400 -0.043 0.000 2.342 296 D HA -0.003 4.640 4.640 0.004 0.000 0.221 296 D C 1.564 177.799 176.300 -0.108 0.000 1.101 296 D CA -0.195 53.776 54.000 -0.048 0.000 0.837 296 D CB -0.813 39.964 40.800 -0.039 0.000 0.938 296 D HN 0.056 nan 8.370 nan 0.000 0.508 297 L N -0.155 120.948 121.223 -0.199 0.000 1.961 297 L HA 0.048 4.390 4.340 0.004 0.000 0.210 297 L C 1.131 177.745 176.870 -0.427 0.000 1.072 297 L CA 1.685 56.273 54.840 -0.419 0.000 0.749 297 L CB -0.608 41.024 42.059 -0.711 0.000 0.889 297 L HN -0.091 nan 8.230 nan 0.000 0.432 298 F N -0.363 119.563 119.950 -0.039 0.000 2.660 298 F HA 0.206 4.735 4.527 0.004 0.000 0.297 298 F C 1.888 177.678 175.800 -0.017 0.000 1.132 298 F CA -0.096 57.867 58.000 -0.063 0.000 1.372 298 F CB -0.718 38.245 39.000 -0.061 0.000 1.003 298 F HN 0.175 nan 8.300 nan 0.000 0.524 299 E N 0.763 121.021 120.200 0.096 0.000 2.267 299 E HA -0.184 4.169 4.350 0.004 0.000 0.197 299 E C 2.204 178.839 176.600 0.059 0.000 0.998 299 E CA 1.574 58.020 56.400 0.075 0.000 0.830 299 E CB -0.073 29.643 29.700 0.027 0.000 0.751 299 E HN 0.325 nan 8.360 nan 0.000 0.491 300 S N -1.015 114.711 115.700 0.042 0.000 2.458 300 S HA 0.081 4.554 4.470 0.004 0.000 0.223 300 S C 0.884 175.497 174.600 0.021 0.000 1.019 300 S CA -0.135 58.076 58.200 0.019 0.000 0.937 300 S CB -0.130 63.068 63.200 -0.004 0.000 0.788 300 S HN 0.147 nan 8.310 nan 0.000 0.511 301 I N 2.104 122.695 120.570 0.036 0.000 2.395 301 I HA 0.353 4.526 4.170 0.004 0.000 0.289 301 I C 0.199 176.394 176.117 0.130 0.000 1.023 301 I CA -0.316 61.000 61.300 0.027 0.000 1.350 301 I CB 1.117 39.026 38.000 -0.152 0.000 1.409 301 I HN 0.234 nan 8.210 nan 0.000 0.507 302 E N 6.467 126.699 120.200 0.052 0.000 2.175 302 E HA 0.175 4.527 4.350 0.004 0.000 0.278 302 E C -0.448 175.998 176.600 -0.257 0.000 0.969 302 E CA -0.904 55.475 56.400 -0.035 0.000 0.796 302 E CB 1.143 30.808 29.700 -0.060 0.000 1.104 302 E HN 0.393 nan 8.360 nan 0.000 0.395 303 K N 5.938 126.000 120.400 -0.562 0.000 2.453 303 K HA 0.096 4.419 4.320 0.004 0.000 0.280 303 K C -2.025 174.176 176.600 -0.664 0.000 1.045 303 K CA -1.165 54.339 56.287 -1.306 0.000 1.059 303 K CB 0.396 32.121 32.500 -1.291 0.000 0.901 303 K HN 0.343 nan 8.250 nan 0.000 0.475 304 P HA 0.047 nan 4.420 nan 0.000 0.272 304 P C -0.123 177.037 177.300 -0.233 0.000 1.240 304 P CA -0.312 62.622 63.100 -0.277 0.000 0.791 304 P CB 0.997 32.594 31.700 -0.171 0.000 0.978 305 S N 0.056 115.666 115.700 -0.150 0.000 2.428 305 S HA -0.092 4.381 4.470 0.004 0.000 0.230 305 S C 1.524 176.062 174.600 -0.103 0.000 1.014 305 S CA 1.233 59.364 58.200 -0.116 0.000 0.957 305 S CB -0.657 62.493 63.200 -0.083 0.000 0.784 305 S HN 0.710 nan 8.310 nan 0.000 0.499 306 S N 0.756 116.392 115.700 -0.106 0.000 2.840 306 S HA 0.327 4.800 4.470 0.004 0.000 0.235 306 S C 0.043 174.552 174.600 -0.150 0.000 0.968 306 S CA -0.418 57.717 58.200 -0.108 0.000 1.026 306 S CB -0.290 62.853 63.200 -0.095 0.000 0.788 306 S HN 0.100 nan 8.310 nan 0.000 0.487 307 V N 1.628 121.464 119.914 -0.130 0.000 2.733 307 V HA 0.338 4.461 4.120 0.004 0.000 0.306 307 V C 0.085 176.178 176.094 -0.002 0.000 1.084 307 V CA -0.777 61.456 62.300 -0.111 0.000 0.905 307 V CB 2.003 33.844 31.823 0.030 0.000 1.010 307 V HN 0.464 nan 8.190 nan 0.000 0.424 308 T N 3.192 117.780 114.554 0.057 0.000 2.906 308 T HA 0.088 4.440 4.350 0.004 0.000 0.320 308 T C 1.384 176.218 174.700 0.223 0.000 1.088 308 T CA -0.155 62.028 62.100 0.138 0.000 1.120 308 T CB 1.236 70.218 68.868 0.190 0.000 1.000 308 T HN 0.414 nan 8.240 nan 0.000 0.550 309 V N 1.385 121.403 119.914 0.174 0.000 2.490 309 V HA -0.139 3.983 4.120 0.004 0.000 0.250 309 V C 2.126 178.382 176.094 0.269 0.000 1.061 309 V CA 1.770 64.200 62.300 0.218 0.000 1.064 309 V CB -0.406 31.508 31.823 0.152 0.000 0.670 309 V HN 0.817 nan 8.190 nan 0.000 0.461 310 D N -1.076 119.457 120.400 0.222 0.000 2.194 310 D HA -0.097 4.546 4.640 0.004 0.000 0.204 310 D C 1.862 178.272 176.300 0.183 0.000 0.964 310 D CA 0.810 54.920 54.000 0.184 0.000 0.846 310 D CB -0.082 40.803 40.800 0.142 0.000 0.962 310 D HN 0.459 nan 8.370 nan 0.000 0.490 311 F N 0.643 120.653 119.950 0.100 0.000 2.102 311 F HA -0.164 4.365 4.527 0.004 0.000 0.298 311 F C 2.319 178.220 175.800 0.167 0.000 1.105 311 F CA 1.417 59.467 58.000 0.082 0.000 1.239 311 F CB -0.199 38.880 39.000 0.132 0.000 0.991 311 F HN 0.042 nan 8.300 nan 0.000 0.474 312 W N 1.300 122.727 121.300 0.210 0.000 2.342 312 W HA -0.213 4.450 4.660 0.005 0.000 0.297 312 W C 1.953 178.494 176.519 0.036 0.000 1.213 312 W CA 1.467 58.892 57.345 0.132 0.000 1.251 312 W CB -0.001 29.558 29.460 0.166 0.000 1.136 312 W HN 0.067 nan 8.180 nan 0.000 0.526 313 E N -0.071 120.185 120.200 0.095 0.000 2.152 313 E HA -0.223 4.129 4.350 0.004 0.000 0.192 313 E C 1.937 178.474 176.600 -0.105 0.000 0.983 313 E CA 1.257 57.648 56.400 -0.014 0.000 0.818 313 E CB -0.758 28.990 29.700 0.080 0.000 0.758 313 E HN 0.405 nan 8.360 nan 0.000 0.467 314 M N 0.747 120.255 119.600 -0.154 0.000 2.099 314 M HA -0.152 4.331 4.480 0.004 0.000 0.262 314 M C 2.364 178.503 176.300 -0.268 0.000 1.067 314 M CA 2.056 57.224 55.300 -0.221 0.000 1.124 314 M CB -0.220 32.115 32.600 -0.443 0.000 1.353 314 M HN 0.182 nan 8.290 nan 0.000 0.410 315 T N -1.865 112.452 114.554 -0.394 0.000 2.821 315 T HA -0.132 4.220 4.350 0.004 0.000 0.267 315 T C 1.757 176.099 174.700 -0.596 0.000 1.046 315 T CA 1.284 63.135 62.100 -0.415 0.000 1.139 315 T CB -0.442 68.194 68.868 -0.388 0.000 0.871 315 T HN 0.376 nan 8.240 nan 0.000 0.454 316 K N 0.733 120.746 120.400 -0.644 0.000 2.044 316 K HA -0.009 4.313 4.320 0.004 0.000 0.210 316 K C 2.331 178.703 176.600 -0.380 0.000 1.049 316 K CA 1.621 57.524 56.287 -0.640 0.000 0.927 316 K CB -0.494 31.765 32.500 -0.401 0.000 0.713 316 K HN 0.366 nan 8.250 nan 0.000 0.443 317 L N 0.906 121.986 121.223 -0.238 0.000 2.017 317 L HA -0.209 4.133 4.340 0.004 0.000 0.208 317 L C 2.248 178.919 176.870 -0.333 0.000 1.073 317 L CA 1.425 56.143 54.840 -0.203 0.000 0.745 317 L CB -0.406 41.607 42.059 -0.078 0.000 0.894 317 L HN 0.247 nan 8.230 nan 0.000 0.432 318 E N 0.044 120.110 120.200 -0.223 0.000 2.160 318 E HA -0.235 4.117 4.350 0.004 0.000 0.195 318 E C 2.205 178.495 176.600 -0.516 0.000 0.991 318 E CA 1.116 57.399 56.400 -0.196 0.000 0.810 318 E CB -0.176 29.509 29.700 -0.025 0.000 0.742 318 E HN 0.524 nan 8.360 nan 0.000 0.466 319 A N 1.046 123.447 122.820 -0.698 0.000 1.929 319 A HA -0.122 4.200 4.320 0.004 0.000 0.216 319 A C 2.151 179.522 177.584 -0.356 0.000 1.176 319 A CA 0.812 52.339 52.037 -0.851 0.000 0.628 319 A CB -0.423 17.944 19.000 -1.055 0.000 0.816 319 A HN 0.118 nan 8.150 nan 0.000 0.444 320 I N -0.464 119.938 120.570 -0.281 0.000 2.226 320 I HA -0.274 3.899 4.170 0.004 0.000 0.245 320 I C 2.384 178.273 176.117 -0.379 0.000 1.100 320 I CA 1.224 62.380 61.300 -0.240 0.000 1.374 320 I CB -0.197 37.657 38.000 -0.244 0.000 1.057 320 I HN 0.268 nan 8.210 nan 0.000 0.413 321 M N -0.168 119.168 119.600 -0.440 0.000 2.388 321 M HA -0.091 4.392 4.480 0.004 0.000 0.265 321 M C 2.182 178.260 176.300 -0.370 0.000 1.088 321 M CA 1.267 56.307 55.300 -0.433 0.000 1.134 321 M CB -1.042 31.201 32.600 -0.594 0.000 1.384 321 M HN 0.172 nan 8.290 nan 0.000 0.447 322 K N -0.049 120.074 120.400 -0.462 0.000 2.057 322 K HA -0.152 4.170 4.320 0.004 0.000 0.206 322 K C 1.550 177.762 176.600 -0.647 0.000 1.050 322 K CA 1.492 57.421 56.287 -0.596 0.000 0.935 322 K CB 0.112 32.068 32.500 -0.907 0.000 0.715 322 K HN 0.195 nan 8.250 nan 0.000 0.439 323 Y N -0.075 120.033 120.300 -0.322 0.000 2.441 323 Y HA 0.130 4.682 4.550 0.004 0.000 0.288 323 Y C 1.925 177.652 175.900 -0.289 0.000 1.118 323 Y CA 0.342 58.292 58.100 -0.250 0.000 1.215 323 Y CB 0.472 38.811 38.460 -0.201 0.000 1.118 323 Y HN -0.138 nan 8.280 nan 0.000 0.547 324 K N 0.252 120.458 120.400 -0.323 0.000 2.334 324 K HA 0.038 4.361 4.320 0.004 0.000 0.195 324 K C 0.118 176.368 176.600 -0.583 0.000 1.045 324 K CA 0.504 56.427 56.287 -0.607 0.000 1.004 324 K CB 0.082 31.816 32.500 -1.276 0.000 0.837 324 K HN 0.326 nan 8.250 nan 0.000 0.510 325 E N -0.282 119.663 120.200 -0.426 0.000 2.722 325 E HA -0.243 4.109 4.350 0.004 0.000 0.265 325 E C 0.110 176.651 176.600 -0.098 0.000 1.081 325 E CA 0.219 56.484 56.400 -0.225 0.000 0.781 325 E CB -1.353 28.264 29.700 -0.137 0.000 1.372 325 E HN 0.241 nan 8.360 nan 0.000 0.423 326 Y N -0.695 119.559 120.300 -0.077 0.000 2.207 326 Y HA -0.048 4.505 4.550 0.004 0.000 0.287 326 Y C 1.510 177.376 175.900 -0.056 0.000 1.156 326 Y CA 1.020 59.086 58.100 -0.057 0.000 1.182 326 Y CB 0.092 38.531 38.460 -0.035 0.000 0.979 326 Y HN 0.128 nan 8.280 nan 0.000 0.521 327 I N 3.039 123.655 120.570 0.078 0.000 2.382 327 I HA 0.250 4.422 4.170 0.004 0.000 0.286 327 I C -2.319 173.851 176.117 0.089 0.000 1.002 327 I CA -2.278 59.068 61.300 0.077 0.000 1.135 327 I CB 1.715 39.759 38.000 0.073 0.000 1.288 327 I HN -0.185 nan 8.210 nan 0.000 0.448 328 P HA 0.077 nan 4.420 nan 0.000 0.272 328 P C -0.107 177.244 177.300 0.085 0.000 1.223 328 P CA 0.186 63.320 63.100 0.056 0.000 0.784 328 P CB 0.620 32.341 31.700 0.035 0.000 0.923 329 E N -2.118 118.115 120.200 0.055 0.000 3.065 329 E HA -0.285 4.067 4.350 0.004 0.000 0.277 329 E C -0.387 176.255 176.600 0.069 0.000 1.008 329 E CA 0.447 56.872 56.400 0.042 0.000 0.864 329 E CB -1.943 27.769 29.700 0.021 0.000 1.439 329 E HN 0.507 nan 8.360 nan 0.000 0.445 330 Y N 1.156 121.451 120.300 -0.009 0.000 2.511 330 Y HA 0.036 4.588 4.550 0.004 0.000 0.332 330 Y C 1.068 176.949 175.900 -0.032 0.000 1.177 330 Y CA 1.257 59.355 58.100 -0.002 0.000 1.422 330 Y CB 0.943 39.386 38.460 -0.029 0.000 1.271 330 Y HN -0.087 nan 8.280 nan 0.000 0.550 331 T N 2.523 116.932 114.554 -0.241 0.000 2.900 331 T HA 0.147 4.499 4.350 0.004 0.000 0.307 331 T C 0.682 175.401 174.700 0.030 0.000 1.065 331 T CA 0.298 62.332 62.100 -0.111 0.000 1.105 331 T CB 0.199 68.971 68.868 -0.162 0.000 0.979 331 T HN 0.770 nan 8.240 nan 0.000 0.544 332 S N 2.049 117.754 115.700 0.008 0.000 2.819 332 S HA 0.232 4.704 4.470 0.004 0.000 0.249 332 S C 1.342 175.972 174.600 0.050 0.000 1.030 332 S CA -0.401 57.820 58.200 0.035 0.000 1.052 332 S CB 0.030 63.227 63.200 -0.004 0.000 1.017 332 S HN 0.836 nan 8.310 nan 0.000 0.576 333 E N 1.853 122.036 120.200 -0.029 0.000 2.086 333 E HA -0.304 4.048 4.350 0.004 0.000 0.205 333 E C 1.239 177.726 176.600 -0.187 0.000 1.027 333 E CA 2.136 58.441 56.400 -0.159 0.000 0.830 333 E CB -0.184 29.322 29.700 -0.322 0.000 0.751 333 E HN 0.818 nan 8.360 nan 0.000 0.456 334 H N -1.768 117.294 119.070 -0.012 0.000 2.431 334 H HA 0.029 4.587 4.556 0.004 0.000 0.295 334 H C 1.518 176.837 175.328 -0.016 0.000 1.038 334 H CA 0.926 56.925 56.048 -0.082 0.000 1.360 334 H CB -0.252 29.164 29.762 -0.577 0.000 1.433 334 H HN 0.167 nan 8.280 nan 0.000 0.536 335 F N 2.071 121.990 119.950 -0.052 0.000 2.126 335 F HA -0.207 4.322 4.527 0.004 0.000 0.299 335 F C 1.350 177.159 175.800 0.015 0.000 1.096 335 F CA 1.413 59.362 58.000 -0.085 0.000 1.255 335 F CB -0.022 38.871 39.000 -0.178 0.000 0.997 335 F HN 0.073 nan 8.300 nan 0.000 0.479 336 D N -0.040 120.427 120.400 0.112 0.000 2.350 336 D HA -0.136 4.506 4.640 0.004 0.000 0.216 336 D C 1.985 178.290 176.300 0.007 0.000 0.968 336 D CA 1.040 55.066 54.000 0.043 0.000 0.894 336 D CB -0.258 40.585 40.800 0.072 0.000 0.909 336 D HN 0.418 nan 8.370 nan 0.000 0.520 337 M N -0.233 119.404 119.600 0.062 0.000 2.556 337 M HA 0.030 4.512 4.480 0.004 0.000 0.245 337 M C 0.147 176.489 176.300 0.071 0.000 1.128 337 M CA -0.108 55.251 55.300 0.098 0.000 1.069 337 M CB 0.417 33.143 32.600 0.210 0.000 1.469 337 M HN -0.121 nan 8.290 nan 0.000 0.494 338 L N 0.549 121.777 121.223 0.009 0.000 2.468 338 L HA 0.064 4.407 4.340 0.004 0.000 0.253 338 L C 0.420 177.268 176.870 -0.036 0.000 1.237 338 L CA 0.516 55.350 54.840 -0.010 0.000 0.823 338 L CB -0.021 41.963 42.059 -0.124 0.000 1.124 338 L HN 0.009 nan 8.230 nan 0.000 0.504 339 D N -0.213 120.185 120.400 -0.004 0.000 2.354 339 D HA 0.025 4.668 4.640 0.004 0.000 0.238 339 D C 1.071 177.365 176.300 -0.009 0.000 1.250 339 D CA -0.053 53.947 54.000 -0.001 0.000 0.911 339 D CB 0.491 41.300 40.800 0.016 0.000 1.163 339 D HN 0.475 nan 8.370 nan 0.000 0.456 340 E N 0.230 120.435 120.200 0.008 0.000 2.038 340 E HA -0.194 4.158 4.350 0.004 0.000 0.195 340 E C 1.620 178.243 176.600 0.039 0.000 1.000 340 E CA 1.192 57.607 56.400 0.025 0.000 0.803 340 E CB 0.039 29.755 29.700 0.027 0.000 0.750 340 E HN 0.507 nan 8.360 nan 0.000 0.448 341 E N -0.189 120.031 120.200 0.033 0.000 2.110 341 E HA -0.171 4.181 4.350 0.004 0.000 0.193 341 E C 1.817 178.453 176.600 0.059 0.000 0.988 341 E CA 1.171 57.594 56.400 0.038 0.000 0.804 341 E CB 0.213 29.928 29.700 0.025 0.000 0.745 341 E HN 0.083 nan 8.360 nan 0.000 0.458 342 V N 0.575 120.533 119.914 0.073 0.000 2.488 342 V HA -0.190 3.933 4.120 0.004 0.000 0.246 342 V C 2.187 178.408 176.094 0.213 0.000 1.046 342 V CA 1.495 63.879 62.300 0.139 0.000 1.053 342 V CB -0.426 31.502 31.823 0.175 0.000 0.679 342 V HN 0.247 nan 8.190 nan 0.000 0.458 343 Q N 0.076 119.930 119.800 0.090 0.000 2.124 343 Q HA -0.161 4.182 4.340 0.004 0.000 0.202 343 Q C 2.524 178.707 176.000 0.305 0.000 0.977 343 Q CA 1.832 57.712 55.803 0.129 0.000 0.850 343 Q CB -0.244 28.463 28.738 -0.052 0.000 0.901 343 Q HN 0.575 nan 8.270 nan 0.000 0.429 344 S N 0.436 116.237 115.700 0.169 0.000 2.370 344 S HA -0.146 4.326 4.470 0.004 0.000 0.226 344 S C 2.106 176.755 174.600 0.083 0.000 1.033 344 S CA 1.299 59.566 58.200 0.112 0.000 1.011 344 S CB -0.185 63.055 63.200 0.067 0.000 0.852 344 S HN 0.289 nan 8.310 nan 0.000 0.457 345 S N 0.792 116.540 115.700 0.081 0.000 2.382 345 S HA -0.011 4.462 4.470 0.004 0.000 0.228 345 S C 1.491 176.084 174.600 -0.012 0.000 1.027 345 S CA 0.996 59.199 58.200 0.005 0.000 0.991 345 S CB -0.377 62.797 63.200 -0.042 0.000 0.823 345 S HN 0.438 nan 8.310 nan 0.000 0.469 346 F N 1.669 121.663 119.950 0.073 0.000 2.146 346 F HA -0.035 4.495 4.527 0.004 0.000 0.298 346 F C 2.489 178.207 175.800 -0.136 0.000 1.096 346 F CA 1.195 59.230 58.000 0.058 0.000 1.275 346 F CB -0.345 38.771 39.000 0.192 0.000 1.008 346 F HN 0.234 nan 8.300 nan 0.000 0.480 347 E N -0.621 119.499 120.200 -0.134 0.000 2.047 347 E HA -0.218 4.135 4.350 0.004 0.000 0.191 347 E C 2.434 178.888 176.600 -0.244 0.000 0.987 347 E CA 1.265 57.330 56.400 -0.559 0.000 0.799 347 E CB -0.241 29.144 29.700 -0.525 0.000 0.752 347 E HN 0.231 nan 8.360 nan 0.000 0.449 348 S N -0.599 115.037 115.700 -0.106 0.000 2.383 348 S HA -0.128 4.344 4.470 0.004 0.000 0.229 348 S C 1.898 176.466 174.600 -0.052 0.000 1.030 348 S CA 1.248 59.410 58.200 -0.063 0.000 1.002 348 S CB -0.054 63.126 63.200 -0.033 0.000 0.829 348 S HN 0.199 nan 8.310 nan 0.000 0.467 349 V N 1.590 121.487 119.914 -0.028 0.000 2.379 349 V HA 0.045 4.167 4.120 0.004 0.000 0.243 349 V C 1.995 178.068 176.094 -0.036 0.000 1.035 349 V CA 0.845 63.135 62.300 -0.016 0.000 1.035 349 V CB -0.464 31.388 31.823 0.049 0.000 0.673 349 V HN 0.398 nan 8.190 nan 0.000 0.457 350 L N 0.529 121.748 121.223 -0.007 0.000 2.700 350 L HA 0.034 4.377 4.340 0.004 0.000 0.240 350 L C 2.055 178.872 176.870 -0.089 0.000 1.162 350 L CA 1.543 56.353 54.840 -0.051 0.000 0.874 350 L CB -1.863 40.171 42.059 -0.041 0.000 1.001 350 L HN 0.363 nan 8.230 nan 0.000 0.447 351 A N -0.709 122.059 122.820 -0.087 0.000 1.920 351 A HA -0.037 4.285 4.320 0.004 0.000 0.209 351 A C 2.192 179.745 177.584 -0.052 0.000 1.229 351 A CA 0.876 52.871 52.037 -0.070 0.000 0.671 351 A CB -0.344 18.614 19.000 -0.069 0.000 0.886 351 A HN 0.442 nan 8.150 nan 0.000 0.461 352 S N 0.031 115.699 115.700 -0.053 0.000 2.595 352 S HA 0.047 4.519 4.470 0.004 0.000 0.235 352 S C 0.395 174.965 174.600 -0.050 0.000 0.974 352 S CA 0.202 58.374 58.200 -0.047 0.000 0.942 352 S CB -0.220 62.951 63.200 -0.048 0.000 0.766 352 S HN 0.280 nan 8.310 nan 0.000 0.536 353 K N 1.762 122.128 120.400 -0.057 0.000 2.206 353 K HA 0.424 4.746 4.320 0.004 0.000 0.264 353 K C 0.487 177.069 176.600 -0.030 0.000 0.967 353 K CA -0.039 56.215 56.287 -0.055 0.000 0.844 353 K CB 1.735 34.185 32.500 -0.084 0.000 1.099 353 K HN 0.292 nan 8.250 nan 0.000 0.441 354 S N -0.270 115.419 115.700 -0.017 0.000 2.539 354 S HA 0.138 4.610 4.470 0.004 0.000 0.226 354 S C 0.241 174.855 174.600 0.023 0.000 1.054 354 S CA -0.137 58.065 58.200 0.003 0.000 0.910 354 S CB 0.419 63.618 63.200 -0.002 0.000 0.818 354 S HN 0.467 nan 8.310 nan 0.000 0.490 355 D N 1.752 122.157 120.400 0.008 0.000 2.175 355 D HA 0.255 4.898 4.640 0.004 0.000 0.248 355 D C 0.499 176.804 176.300 0.010 0.000 1.047 355 D CA -0.264 53.740 54.000 0.006 0.000 0.883 355 D CB 1.799 42.591 40.800 -0.014 0.000 1.180 355 D HN 0.126 nan 8.370 nan 0.000 0.438 356 K N 0.822 121.213 120.400 -0.015 0.000 2.211 356 K HA -0.147 4.175 4.320 0.004 0.000 0.204 356 K C 1.526 178.093 176.600 -0.055 0.000 1.047 356 K CA 1.202 57.436 56.287 -0.089 0.000 0.935 356 K CB 0.149 32.447 32.500 -0.336 0.000 0.728 356 K HN 0.337 nan 8.250 nan 0.000 0.452 357 S N -0.110 115.564 115.700 -0.045 0.000 2.515 357 S HA -0.054 4.419 4.470 0.004 0.000 0.231 357 S C 1.207 175.779 174.600 -0.047 0.000 0.987 357 S CA 0.626 58.807 58.200 -0.032 0.000 0.936 357 S CB 0.036 63.220 63.200 -0.027 0.000 0.766 357 S HN 0.374 nan 8.310 nan 0.000 0.528 358 E N 0.153 120.315 120.200 -0.063 0.000 2.489 358 E HA 0.154 4.507 4.350 0.004 0.000 0.193 358 E C 0.962 177.466 176.600 -0.160 0.000 1.057 358 E CA 0.145 56.489 56.400 -0.094 0.000 0.866 358 E CB 0.119 29.769 29.700 -0.083 0.000 0.916 358 E HN 0.511 nan 8.360 nan 0.000 0.500 359 I N -0.553 119.907 120.570 -0.183 0.000 3.366 359 I HA 0.095 4.267 4.170 0.004 0.000 0.267 359 I C 0.454 176.323 176.117 -0.413 0.000 1.149 359 I CA 0.502 61.591 61.300 -0.351 0.000 1.436 359 I CB -0.301 37.475 38.000 -0.374 0.000 1.379 359 I HN -0.094 nan 8.210 nan 0.000 0.460 360 F N 2.401 122.274 119.950 -0.129 0.000 2.422 360 F HA 0.384 4.914 4.527 0.004 0.000 0.333 360 F C 1.125 176.838 175.800 -0.146 0.000 1.095 360 F CA -1.029 56.871 58.000 -0.168 0.000 1.038 360 F CB 1.282 40.137 39.000 -0.242 0.000 1.156 360 F HN -0.080 nan 8.300 nan 0.000 0.483 361 S N 0.652 116.406 115.700 0.089 0.000 2.693 361 S HA 0.728 5.200 4.470 0.004 0.000 0.276 361 S C -0.362 174.235 174.600 -0.004 0.000 1.192 361 S CA -0.801 57.413 58.200 0.023 0.000 0.994 361 S CB 1.313 64.525 63.200 0.019 0.000 1.012 361 S HN 0.461 nan 8.310 nan 0.000 0.550 362 S N 0.395 116.098 115.700 0.004 0.000 2.578 362 S HA 0.448 4.921 4.470 0.004 0.000 0.301 362 S C 1.106 175.718 174.600 0.020 0.000 1.091 362 S CA -0.892 57.309 58.200 0.002 0.000 1.032 362 S CB 1.158 64.373 63.200 0.025 0.000 1.064 362 S HN 0.640 nan 8.310 nan 0.000 0.508 363 L N 1.857 123.074 121.223 -0.010 0.000 2.141 363 L HA 0.107 4.449 4.340 0.004 0.000 0.209 363 L C 1.788 178.727 176.870 0.116 0.000 1.094 363 L CA 0.854 55.698 54.840 0.006 0.000 0.763 363 L CB -1.286 40.654 42.059 -0.199 0.000 0.908 363 L HN 1.031 nan 8.230 nan 0.000 0.437 364 G N 0.367 109.273 108.800 0.176 0.000 2.581 364 G HA2 -0.294 3.668 3.960 0.004 0.000 0.291 364 G HA3 -0.294 3.668 3.960 0.004 0.000 0.291 364 G C -0.413 174.635 174.900 0.246 0.000 1.277 364 G CA 0.068 45.290 45.100 0.203 0.000 0.959 364 G HN 0.311 nan 8.290 nan 0.000 0.554 365 D N 1.530 122.014 120.400 0.140 0.000 2.343 365 D HA 0.471 5.113 4.640 0.004 0.000 0.255 365 D C 0.804 177.172 176.300 0.113 0.000 1.187 365 D CA 0.648 54.711 54.000 0.105 0.000 0.875 365 D CB 0.716 41.551 40.800 0.058 0.000 1.136 365 D HN 0.389 nan 8.370 nan 0.000 0.469 366 M N 1.556 121.233 119.600 0.129 0.000 2.664 366 M HA 0.356 4.838 4.480 0.004 0.000 0.314 366 M C 0.085 176.435 176.300 0.083 0.000 1.200 366 M CA -0.824 54.544 55.300 0.113 0.000 0.916 366 M CB 2.463 35.152 32.600 0.149 0.000 1.717 366 M HN 0.236 nan 8.290 nan 0.000 0.470 367 E N 0.790 121.033 120.200 0.072 0.000 2.340 367 E HA 0.881 5.233 4.350 0.004 0.000 0.273 367 E C -1.855 174.782 176.600 0.061 0.000 0.891 367 E CA -1.163 55.272 56.400 0.058 0.000 0.757 367 E CB 2.437 32.163 29.700 0.044 0.000 1.231 367 E HN 0.729 nan 8.360 nan 0.000 0.439 368 A N 1.250 124.108 122.820 0.062 0.000 2.602 368 A HA 0.619 4.942 4.320 0.004 0.000 0.290 368 A C -0.882 176.738 177.584 0.061 0.000 1.114 368 A CA -0.649 51.428 52.037 0.066 0.000 0.683 368 A CB 1.833 20.887 19.000 0.091 0.000 1.281 368 A HN 0.518 nan 8.150 nan 0.000 0.416 369 S N 0.257 115.994 115.700 0.062 0.000 2.548 369 S HA 0.411 4.883 4.470 0.004 0.000 0.277 369 S C -1.623 173.024 174.600 0.077 0.000 1.315 369 S CA -1.136 57.099 58.200 0.059 0.000 1.050 369 S CB 0.502 63.730 63.200 0.048 0.000 0.918 369 S HN 0.353 nan 8.310 nan 0.000 0.497 370 P HA -0.070 nan 4.420 nan 0.000 0.222 370 P C 0.934 178.294 177.300 0.100 0.000 1.142 370 P CA 1.039 64.189 63.100 0.083 0.000 0.788 370 P CB 0.034 31.780 31.700 0.078 0.000 0.767 371 L N -1.080 120.189 121.223 0.078 0.000 2.341 371 L HA 0.015 4.358 4.340 0.004 0.000 0.214 371 L C 1.492 178.445 176.870 0.137 0.000 1.115 371 L CA 0.478 55.355 54.840 0.061 0.000 0.820 371 L CB -0.531 41.492 42.059 -0.060 0.000 0.944 371 L HN 0.146 nan 8.230 nan 0.000 0.452 372 E N -0.124 120.178 120.200 0.170 0.000 2.235 372 E HA 0.508 4.860 4.350 0.004 0.000 0.265 372 E C -1.139 175.616 176.600 0.258 0.000 0.940 372 E CA -0.744 55.823 56.400 0.278 0.000 0.819 372 E CB 2.434 32.328 29.700 0.324 0.000 1.206 372 E HN -0.223 nan 8.360 nan 0.000 0.409 373 V N 2.203 122.326 119.914 0.347 0.000 2.448 373 V HA 0.286 4.409 4.120 0.004 0.000 0.295 373 V C -0.182 176.164 176.094 0.419 0.000 1.025 373 V CA -0.878 61.617 62.300 0.324 0.000 0.859 373 V CB 1.415 33.407 31.823 0.282 0.000 0.988 373 V HN 0.621 nan 8.190 nan 0.000 0.431 374 K N 4.166 124.750 120.400 0.307 0.000 2.144 374 K HA 0.653 4.976 4.320 0.004 0.000 0.270 374 K C -0.772 175.985 176.600 0.262 0.000 1.005 374 K CA -0.383 56.076 56.287 0.286 0.000 0.932 374 K CB 1.959 34.578 32.500 0.199 0.000 1.021 374 K HN 0.573 nan 8.250 nan 0.000 0.462 375 I N 1.059 121.790 120.570 0.269 0.000 2.647 375 I HA 0.351 4.524 4.170 0.004 0.000 0.295 375 I C -0.773 175.473 176.117 0.215 0.000 1.078 375 I CA -0.657 60.754 61.300 0.185 0.000 1.048 375 I CB 1.811 39.907 38.000 0.161 0.000 1.239 375 I HN 0.764 nan 8.210 nan 0.000 0.421 376 A N 5.639 128.547 122.820 0.146 0.000 2.406 376 A HA 0.490 4.813 4.320 0.004 0.000 0.243 376 A C -1.158 176.548 177.584 0.203 0.000 1.082 376 A CA 0.355 52.512 52.037 0.200 0.000 0.786 376 A CB 0.132 19.220 19.000 0.147 0.000 1.029 376 A HN 0.561 nan 8.150 nan 0.000 0.495 377 F N 0.652 120.652 119.950 0.083 0.000 2.546 377 F HA 0.505 5.034 4.527 0.004 0.000 0.320 377 F C 0.377 176.229 175.800 0.087 0.000 1.076 377 F CA -0.320 57.730 58.000 0.083 0.000 0.928 377 F CB 2.327 41.374 39.000 0.079 0.000 1.189 377 F HN 0.848 nan 8.300 nan 0.000 0.465 378 N N -1.534 117.294 118.700 0.213 0.000 3.229 378 N HA 0.245 4.988 4.740 0.004 0.000 0.315 378 N C 0.216 175.838 175.510 0.186 0.000 1.520 378 N CA -0.222 52.942 53.050 0.190 0.000 0.769 378 N CB 0.484 39.052 38.487 0.135 0.000 1.766 378 N HN 0.306 nan 8.380 nan 0.000 0.618 379 S N -1.240 114.550 115.700 0.150 0.000 2.442 379 S HA -0.080 4.392 4.470 0.004 0.000 0.236 379 S C 0.861 175.532 174.600 0.119 0.000 1.007 379 S CA 0.705 58.988 58.200 0.138 0.000 0.965 379 S CB -0.369 62.900 63.200 0.114 0.000 0.773 379 S HN 0.483 nan 8.310 nan 0.000 0.504 380 K N 1.889 122.347 120.400 0.096 0.000 2.437 380 K HA 0.395 4.718 4.320 0.004 0.000 0.198 380 K C 1.200 177.825 176.600 0.042 0.000 1.024 380 K CA 0.539 56.869 56.287 0.071 0.000 1.148 380 K CB -0.276 32.261 32.500 0.062 0.000 0.860 380 K HN 0.594 nan 8.250 nan 0.000 0.515 381 G N 1.544 110.366 108.800 0.037 0.000 2.472 381 G HA2 -0.221 3.741 3.960 0.004 0.000 0.205 381 G HA3 -0.221 3.741 3.960 0.004 0.000 0.205 381 G C -0.168 174.480 174.900 -0.419 0.000 1.270 381 G CA -0.452 44.582 45.100 -0.110 0.000 0.974 381 G HN 0.257 nan 8.290 nan 0.000 0.542 382 I N -0.988 119.187 120.570 -0.658 0.000 2.836 382 I HA 0.721 4.893 4.170 0.004 0.000 0.285 382 I C 0.163 176.114 176.117 -0.276 0.000 1.174 382 I CA -0.177 60.723 61.300 -0.667 0.000 1.405 382 I CB 0.977 38.698 38.000 -0.465 0.000 1.385 382 I HN 0.936 nan 8.210 nan 0.000 0.594 383 I N 4.507 124.954 120.570 -0.205 0.000 2.680 383 I HA 0.275 4.447 4.170 0.004 0.000 0.291 383 I C -0.141 175.894 176.117 -0.137 0.000 1.244 383 I CA -0.460 60.776 61.300 -0.107 0.000 1.042 383 I CB 1.706 39.698 38.000 -0.012 0.000 1.277 383 I HN 0.748 nan 8.210 nan 0.000 0.423 384 N N 6.356 124.933 118.700 -0.205 0.000 2.362 384 N HA -0.078 4.664 4.740 0.004 0.000 0.211 384 N C 0.764 176.254 175.510 -0.033 0.000 1.170 384 N CA 0.113 52.987 53.050 -0.294 0.000 0.828 384 N CB -0.027 38.090 38.487 -0.617 0.000 1.034 384 N HN 0.862 nan 8.380 nan 0.000 0.475 385 Q N -0.874 118.965 119.800 0.066 0.000 2.436 385 Q HA 0.097 4.439 4.340 0.004 0.000 0.209 385 Q C 0.051 176.145 176.000 0.157 0.000 0.965 385 Q CA 0.658 56.566 55.803 0.174 0.000 0.910 385 Q CB 0.094 28.929 28.738 0.161 0.000 0.980 385 Q HN 0.223 nan 8.270 nan 0.000 0.491 386 G N 1.065 109.936 108.800 0.117 0.000 2.719 386 G HA2 0.600 4.562 3.960 0.004 0.000 0.298 386 G HA3 0.600 4.562 3.960 0.004 0.000 0.298 386 G C -1.644 173.315 174.900 0.099 0.000 1.433 386 G CA -0.683 44.470 45.100 0.089 0.000 1.034 386 G HN 0.128 nan 8.290 nan 0.000 0.517 387 L N 1.863 123.159 121.223 0.121 0.000 2.482 387 L HA 0.583 4.925 4.340 0.004 0.000 0.263 387 L C -0.924 176.028 176.870 0.137 0.000 0.957 387 L CA -0.723 54.198 54.840 0.135 0.000 0.836 387 L CB 2.739 44.885 42.059 0.144 0.000 1.324 387 L HN 0.377 nan 8.230 nan 0.000 0.406 388 I N 1.637 122.296 120.570 0.149 0.000 2.498 388 I HA 0.597 4.769 4.170 0.004 0.000 0.290 388 I C -0.534 175.677 176.117 0.158 0.000 1.032 388 I CA -0.261 61.124 61.300 0.143 0.000 1.073 388 I CB 2.226 40.304 38.000 0.130 0.000 1.251 388 I HN 0.534 nan 8.210 nan 0.000 0.426 389 S N 4.914 120.701 115.700 0.146 0.000 2.535 389 S HA 0.576 5.049 4.470 0.004 0.000 0.272 389 S C -0.826 173.842 174.600 0.115 0.000 1.149 389 S CA -0.691 57.588 58.200 0.133 0.000 0.888 389 S CB 1.600 64.874 63.200 0.123 0.000 1.110 389 S HN 0.497 nan 8.310 nan 0.000 0.463 390 V N 2.265 122.239 119.914 0.101 0.000 3.003 390 V HA 0.545 4.667 4.120 0.004 0.000 0.305 390 V C 0.553 176.692 176.094 0.075 0.000 1.078 390 V CA -0.685 61.665 62.300 0.084 0.000 1.083 390 V CB 0.426 32.293 31.823 0.073 0.000 1.039 390 V HN 1.025 nan 8.190 nan 0.000 0.481 391 K N 1.970 122.410 120.400 0.067 0.000 2.511 391 K HA -0.073 4.249 4.320 0.004 0.000 0.280 391 K C 0.558 177.187 176.600 0.048 0.000 1.008 391 K CA 1.168 57.488 56.287 0.056 0.000 1.050 391 K CB -0.249 32.282 32.500 0.052 0.000 0.889 391 K HN 1.104 nan 8.250 nan 0.000 0.484 392 D N 1.739 122.160 120.400 0.034 0.000 2.945 392 D HA -0.167 4.475 4.640 0.004 0.000 0.225 392 D C -0.515 175.802 176.300 0.028 0.000 1.158 392 D CA 1.299 55.311 54.000 0.020 0.000 0.805 392 D CB -1.100 39.714 40.800 0.024 0.000 1.098 392 D HN 0.625 nan 8.370 nan 0.000 0.426 393 S N -1.219 114.507 115.700 0.043 0.000 2.559 393 S HA 0.021 4.493 4.470 0.004 0.000 0.282 393 S C 1.344 175.977 174.600 0.056 0.000 1.336 393 S CA 0.036 58.280 58.200 0.073 0.000 1.037 393 S CB 0.722 63.976 63.200 0.090 0.000 0.853 393 S HN 0.251 nan 8.310 nan 0.000 0.523 394 Y N 1.747 122.033 120.300 -0.023 0.000 2.128 394 Y HA -0.157 4.395 4.550 0.004 0.000 0.284 394 Y C 2.722 178.572 175.900 -0.083 0.000 1.154 394 Y CA 1.820 59.883 58.100 -0.062 0.000 1.149 394 Y CB -0.863 37.521 38.460 -0.126 0.000 0.976 394 Y HN 0.871 nan 8.280 nan 0.000 0.505 395 C N -0.218 119.149 119.300 0.112 0.000 2.413 395 C HA -0.221 4.241 4.460 0.004 0.000 0.277 395 C C 3.137 178.062 174.990 -0.108 0.000 1.265 395 C CA 1.598 60.616 59.018 -0.000 0.000 1.752 395 C CB -1.568 26.218 27.740 0.077 0.000 1.998 395 C HN 0.801 nan 8.230 nan 0.000 0.489 396 S N 1.654 117.314 115.700 -0.065 0.000 2.370 396 S HA -0.205 4.268 4.470 0.004 0.000 0.226 396 S C 1.603 176.106 174.600 -0.161 0.000 1.033 396 S CA 1.831 59.971 58.200 -0.102 0.000 1.011 396 S CB -0.679 62.494 63.200 -0.045 0.000 0.852 396 S HN 0.675 nan 8.310 nan 0.000 0.457 397 N N 1.927 120.520 118.700 -0.179 0.000 2.120 397 N HA 0.036 4.779 4.740 0.004 0.000 0.188 397 N C 1.828 177.194 175.510 -0.240 0.000 1.024 397 N CA 1.465 54.381 53.050 -0.223 0.000 0.852 397 N CB -0.529 37.779 38.487 -0.299 0.000 1.003 397 N HN 0.439 nan 8.380 nan 0.000 0.424 398 L N 0.691 121.763 121.223 -0.252 0.000 2.141 398 L HA -0.052 4.291 4.340 0.004 0.000 0.209 398 L C 2.162 178.873 176.870 -0.265 0.000 1.094 398 L CA 0.625 55.332 54.840 -0.222 0.000 0.763 398 L CB -0.248 41.715 42.059 -0.161 0.000 0.908 398 L HN 0.080 nan 8.230 nan 0.000 0.437 399 I N -1.266 119.105 120.570 -0.333 0.000 2.233 399 I HA -0.227 3.946 4.170 0.004 0.000 0.243 399 I C 2.455 178.372 176.117 -0.333 0.000 1.093 399 I CA 0.781 61.808 61.300 -0.455 0.000 1.380 399 I CB -0.268 37.328 38.000 -0.674 0.000 1.067 399 I HN -0.058 nan 8.210 nan 0.000 0.413 400 V N 1.141 120.905 119.914 -0.250 0.000 2.282 400 V HA -0.381 3.741 4.120 0.004 0.000 0.249 400 V C 2.572 178.578 176.094 -0.147 0.000 1.057 400 V CA 2.171 64.367 62.300 -0.173 0.000 1.032 400 V CB -0.677 31.062 31.823 -0.139 0.000 0.645 400 V HN 0.417 nan 8.190 nan 0.000 0.447 401 K N -0.936 119.370 120.400 -0.157 0.000 2.057 401 K HA -0.221 4.102 4.320 0.004 0.000 0.207 401 K C 2.353 178.877 176.600 -0.127 0.000 1.049 401 K CA 1.427 57.637 56.287 -0.129 0.000 0.931 401 K CB -0.124 32.298 32.500 -0.129 0.000 0.714 401 K HN 0.400 nan 8.250 nan 0.000 0.440 402 Q N 0.698 120.397 119.800 -0.168 0.000 2.030 402 Q HA -0.188 4.154 4.340 0.004 0.000 0.204 402 Q C 2.225 178.144 176.000 -0.134 0.000 0.986 402 Q CA 1.692 57.386 55.803 -0.181 0.000 0.843 402 Q CB -0.336 28.255 28.738 -0.245 0.000 0.904 402 Q HN 0.431 nan 8.270 nan 0.000 0.420 403 I N 0.884 121.389 120.570 -0.109 0.000 2.151 403 I HA -0.306 3.867 4.170 0.004 0.000 0.243 403 I C 2.208 178.395 176.117 0.117 0.000 1.080 403 I CA 1.442 62.753 61.300 0.017 0.000 1.339 403 I CB -0.364 37.643 38.000 0.011 0.000 1.039 403 I HN 0.276 nan 8.210 nan 0.000 0.409 404 E N 0.506 120.722 120.200 0.027 0.000 2.077 404 E HA -0.262 4.090 4.350 0.004 0.000 0.193 404 E C 1.840 178.466 176.600 0.044 0.000 0.989 404 E CA 1.548 57.969 56.400 0.035 0.000 0.800 404 E CB -0.290 29.392 29.700 -0.030 0.000 0.746 404 E HN 0.432 nan 8.360 nan 0.000 0.452 405 N N 1.022 119.712 118.700 -0.017 0.000 2.188 405 N HA -0.130 4.613 4.740 0.004 0.000 0.184 405 N C 1.664 177.149 175.510 -0.042 0.000 1.018 405 N CA 1.040 54.065 53.050 -0.042 0.000 0.858 405 N CB 0.120 38.553 38.487 -0.089 0.000 0.989 405 N HN -0.002 nan 8.380 nan 0.000 0.426 406 R N -1.268 119.194 120.500 -0.062 0.000 2.096 406 R HA -0.098 4.244 4.340 0.004 0.000 0.235 406 R C 1.757 178.065 176.300 0.013 0.000 1.127 406 R CA 1.436 57.509 56.100 -0.044 0.000 0.968 406 R CB -0.426 29.825 30.300 -0.081 0.000 0.861 406 R HN 0.360 nan 8.270 nan 0.000 0.440 407 Y N 0.892 121.193 120.300 0.002 0.000 2.293 407 Y HA -0.160 4.392 4.550 0.004 0.000 0.291 407 Y C 2.429 178.312 175.900 -0.028 0.000 1.137 407 Y CA 1.309 59.392 58.100 -0.029 0.000 1.202 407 Y CB -0.014 38.419 38.460 -0.047 0.000 0.990 407 Y HN -0.035 nan 8.280 nan 0.000 0.537 408 K N 0.582 121.052 120.400 0.117 0.000 2.057 408 K HA -0.179 4.143 4.320 0.004 0.000 0.207 408 K C 1.795 178.423 176.600 0.045 0.000 1.049 408 K CA 1.672 57.995 56.287 0.060 0.000 0.931 408 K CB -0.346 32.172 32.500 0.029 0.000 0.714 408 K HN 0.317 nan 8.250 nan 0.000 0.440 409 I N 1.107 121.710 120.570 0.054 0.000 2.252 409 I HA -0.273 3.899 4.170 0.004 0.000 0.245 409 I C 2.388 178.540 176.117 0.059 0.000 1.102 409 I CA 0.528 61.873 61.300 0.076 0.000 1.385 409 I CB -0.269 37.821 38.000 0.151 0.000 1.064 409 I HN 0.199 nan 8.210 nan 0.000 0.414 410 L N 1.282 122.512 121.223 0.012 0.000 1.970 410 L HA -0.215 4.128 4.340 0.004 0.000 0.212 410 L C 2.138 178.992 176.870 -0.027 0.000 1.071 410 L CA 2.037 56.835 54.840 -0.070 0.000 0.751 410 L CB -0.880 40.978 42.059 -0.335 0.000 0.889 410 L HN 0.186 nan 8.230 nan 0.000 0.432 411 N N 0.120 118.804 118.700 -0.027 0.000 2.289 411 N HA -0.193 4.549 4.740 0.004 0.000 0.184 411 N C 1.657 177.175 175.510 0.013 0.000 1.016 411 N CA 1.319 54.362 53.050 -0.011 0.000 0.872 411 N CB -0.698 37.805 38.487 0.026 0.000 0.973 411 N HN 0.561 nan 8.380 nan 0.000 0.433 412 N N 0.244 118.962 118.700 0.029 0.000 2.188 412 N HA -0.021 4.721 4.740 0.004 0.000 0.184 412 N C 1.424 176.964 175.510 0.050 0.000 1.018 412 N CA 1.238 54.307 53.050 0.032 0.000 0.858 412 N CB 0.016 38.520 38.487 0.028 0.000 0.989 412 N HN -0.067 nan 8.380 nan 0.000 0.426 413 S N -0.532 115.224 115.700 0.092 0.000 2.421 413 S HA 0.101 4.574 4.470 0.004 0.000 0.224 413 S C 1.535 176.276 174.600 0.235 0.000 1.035 413 S CA 0.073 58.370 58.200 0.162 0.000 0.953 413 S CB -0.229 63.080 63.200 0.182 0.000 0.810 413 S HN 0.327 nan 8.310 nan 0.000 0.497 414 L N 2.794 124.099 121.223 0.136 0.000 1.988 414 L HA -0.039 4.303 4.340 0.004 0.000 0.207 414 L C 1.522 178.339 176.870 -0.088 0.000 1.071 414 L CA 1.867 56.600 54.840 -0.178 0.000 0.744 414 L CB -1.104 40.705 42.059 -0.417 0.000 0.893 414 L HN 0.257 nan 8.230 nan 0.000 0.433 415 N N -0.404 118.271 118.700 -0.041 0.000 2.036 415 N HA -0.178 4.564 4.740 0.004 0.000 0.195 415 N C -0.994 174.516 175.510 -0.001 0.000 1.037 415 N CA 1.762 54.800 53.050 -0.019 0.000 0.855 415 N CB -1.100 37.381 38.487 -0.009 0.000 1.033 415 N HN 0.367 nan 8.380 nan 0.000 0.423 416 P HA -0.130 nan 4.420 nan 0.000 0.216 416 P C 0.998 178.312 177.300 0.024 0.000 1.150 416 P CA 1.250 64.362 63.100 0.019 0.000 0.837 416 P CB -0.020 31.695 31.700 0.024 0.000 0.786 417 A N -0.267 122.574 122.820 0.036 0.000 1.859 417 A HA -0.226 4.096 4.320 0.004 0.000 0.217 417 A C 2.242 179.841 177.584 0.026 0.000 1.198 417 A CA 1.871 53.931 52.037 0.038 0.000 0.629 417 A CB -1.712 17.329 19.000 0.069 0.000 0.830 417 A HN 0.120 nan 8.150 nan 0.000 0.446 418 I N 0.608 121.186 120.570 0.015 0.000 2.286 418 I HA -0.220 3.953 4.170 0.004 0.000 0.248 418 I C 2.609 178.749 176.117 0.038 0.000 1.115 418 I CA 1.589 62.914 61.300 0.042 0.000 1.392 418 I CB -0.179 37.834 38.000 0.021 0.000 1.065 418 I HN 0.521 nan 8.210 nan 0.000 0.418 419 S N -0.275 115.438 115.700 0.020 0.000 2.607 419 S HA 0.029 4.501 4.470 0.004 0.000 0.224 419 S C 0.582 175.194 174.600 0.019 0.000 0.969 419 S CA -0.128 58.081 58.200 0.015 0.000 0.927 419 S CB -0.501 62.704 63.200 0.007 0.000 0.772 419 S HN 0.393 nan 8.310 nan 0.000 0.533 420 E N 1.280 121.495 120.200 0.026 0.000 2.301 420 E HA 0.266 4.618 4.350 0.004 0.000 0.275 420 E C -1.247 175.379 176.600 0.043 0.000 1.030 420 E CA -0.345 56.072 56.400 0.027 0.000 0.852 420 E CB 0.711 30.425 29.700 0.023 0.000 1.060 420 E HN 0.150 nan 8.360 nan 0.000 0.401 421 D N 2.198 122.624 120.400 0.043 0.000 2.781 421 D HA 0.142 4.785 4.640 0.004 0.000 0.254 421 D C -0.942 175.405 176.300 0.078 0.000 1.213 421 D CA -0.042 53.993 54.000 0.058 0.000 0.994 421 D CB -0.153 40.672 40.800 0.041 0.000 1.019 421 D HN 0.310 nan 8.370 nan 0.000 0.514 422 N N 0.324 119.084 118.700 0.100 0.000 2.518 422 N HA 0.261 5.003 4.740 0.004 0.000 0.284 422 N C -0.372 175.238 175.510 0.167 0.000 1.230 422 N CA -1.080 52.026 53.050 0.094 0.000 0.941 422 N CB 0.992 39.503 38.487 0.039 0.000 1.219 422 N HN 0.200 nan 8.380 nan 0.000 0.560 423 D N -0.175 120.297 120.400 0.119 0.000 2.369 423 D HA -0.097 4.545 4.640 0.004 0.000 0.241 423 D C 0.912 177.192 176.300 -0.034 0.000 1.271 423 D CA -0.309 53.785 54.000 0.157 0.000 0.942 423 D CB 0.242 41.111 40.800 0.114 0.000 1.129 423 D HN 0.397 nan 8.370 nan 0.000 0.476 424 F N 1.020 120.796 119.950 -0.290 0.000 2.063 424 F HA -0.287 4.243 4.527 0.004 0.000 0.298 424 F C 1.809 177.369 175.800 -0.399 0.000 1.109 424 F CA 2.065 59.648 58.000 -0.695 0.000 1.212 424 F CB -0.582 38.179 39.000 -0.397 0.000 0.973 424 F HN 0.227 nan 8.300 nan 0.000 0.480 425 N N -0.266 118.241 118.700 -0.322 0.000 2.120 425 N HA -0.135 4.607 4.740 0.004 0.000 0.188 425 N C 1.819 177.149 175.510 -0.300 0.000 1.024 425 N CA 2.141 54.985 53.050 -0.344 0.000 0.852 425 N CB -0.959 37.460 38.487 -0.114 0.000 1.003 425 N HN 0.354 nan 8.380 nan 0.000 0.424 426 T N -0.075 114.362 114.554 -0.195 0.000 2.777 426 T HA -0.059 4.293 4.350 0.004 0.000 0.266 426 T C 1.884 176.494 174.700 -0.151 0.000 1.040 426 T CA 1.534 63.555 62.100 -0.132 0.000 1.141 426 T CB -0.593 68.235 68.868 -0.066 0.000 0.868 426 T HN 0.273 nan 8.240 nan 0.000 0.444 427 T N 1.990 116.419 114.554 -0.210 0.000 2.777 427 T HA -0.101 4.251 4.350 0.004 0.000 0.266 427 T C 2.302 176.893 174.700 -0.181 0.000 1.040 427 T CA 1.535 63.529 62.100 -0.175 0.000 1.141 427 T CB -0.709 68.031 68.868 -0.213 0.000 0.868 427 T HN 0.388 nan 8.240 nan 0.000 0.444 428 T N 2.533 116.861 114.554 -0.377 0.000 2.708 428 T HA -0.104 4.248 4.350 0.004 0.000 0.266 428 T C 2.048 176.666 174.700 -0.136 0.000 1.037 428 T CA 1.151 63.073 62.100 -0.296 0.000 1.146 428 T CB -0.380 68.112 68.868 -0.626 0.000 0.865 428 T HN 0.307 nan 8.240 nan 0.000 0.435 429 N N 0.741 119.338 118.700 -0.172 0.000 2.142 429 N HA -0.045 4.697 4.740 0.004 0.000 0.186 429 N C 2.082 177.545 175.510 -0.078 0.000 1.023 429 N CA 1.207 54.183 53.050 -0.124 0.000 0.852 429 N CB -0.851 37.564 38.487 -0.120 0.000 0.998 429 N HN 0.333 nan 8.380 nan 0.000 0.424 430 T N 0.997 115.524 114.554 -0.045 0.000 2.708 430 T HA -0.097 4.256 4.350 0.004 0.000 0.266 430 T C 1.589 176.316 174.700 0.045 0.000 1.037 430 T CA 0.703 62.799 62.100 -0.007 0.000 1.146 430 T CB -0.431 68.440 68.868 0.006 0.000 0.865 430 T HN 0.182 nan 8.240 nan 0.000 0.435 431 F N 1.934 121.823 119.950 -0.101 0.000 2.095 431 F HA -0.042 4.487 4.527 0.004 0.000 0.298 431 F C 1.920 177.663 175.800 -0.094 0.000 1.104 431 F CA 0.771 58.717 58.000 -0.090 0.000 1.232 431 F CB -0.751 38.193 39.000 -0.093 0.000 0.987 431 F HN 0.114 nan 8.300 nan 0.000 0.475 432 I N 0.153 120.524 120.570 -0.333 0.000 2.252 432 I HA -0.282 3.890 4.170 0.004 0.000 0.245 432 I C 2.118 178.070 176.117 -0.275 0.000 1.102 432 I CA 1.444 62.484 61.300 -0.433 0.000 1.385 432 I CB -0.694 37.129 38.000 -0.296 0.000 1.064 432 I HN 0.040 nan 8.210 nan 0.000 0.414 433 D N 0.382 120.683 120.400 -0.165 0.000 2.133 433 D HA -0.226 4.416 4.640 0.004 0.000 0.192 433 D C 2.298 178.532 176.300 -0.110 0.000 1.001 433 D CA 1.846 55.777 54.000 -0.114 0.000 0.844 433 D CB -0.328 40.428 40.800 -0.074 0.000 0.944 433 D HN 0.214 nan 8.370 nan 0.000 0.447 434 S N -0.335 115.305 115.700 -0.100 0.000 2.355 434 S HA -0.108 4.364 4.470 0.004 0.000 0.222 434 S C 2.039 176.572 174.600 -0.111 0.000 1.031 434 S CA 0.500 58.660 58.200 -0.068 0.000 0.993 434 S CB -0.182 63.020 63.200 0.003 0.000 0.859 434 S HN 0.072 nan 8.310 nan 0.000 0.453 435 I N 1.895 122.330 120.570 -0.225 0.000 2.194 435 I HA -0.216 3.956 4.170 0.004 0.000 0.246 435 I C 2.464 178.474 176.117 -0.178 0.000 1.093 435 I CA 1.674 62.818 61.300 -0.260 0.000 1.355 435 I CB -1.260 36.437 38.000 -0.504 0.000 1.046 435 I HN 0.468 nan 8.210 nan 0.000 0.413 436 M N -0.139 119.356 119.600 -0.175 0.000 2.175 436 M HA -0.153 4.329 4.480 0.004 0.000 0.264 436 M C 2.365 178.617 176.300 -0.081 0.000 1.063 436 M CA 1.820 57.046 55.300 -0.123 0.000 1.119 436 M CB -0.404 32.125 32.600 -0.119 0.000 1.377 436 M HN 0.236 nan 8.290 nan 0.000 0.415 437 A N -0.036 122.740 122.820 -0.072 0.000 1.968 437 A HA -0.094 4.229 4.320 0.004 0.000 0.217 437 A C 1.858 179.420 177.584 -0.037 0.000 1.169 437 A CA 1.202 53.210 52.037 -0.048 0.000 0.638 437 A CB -0.290 18.685 19.000 -0.040 0.000 0.812 437 A HN 0.368 nan 8.150 nan 0.000 0.446 438 E N 0.227 120.404 120.200 -0.039 0.000 2.478 438 E HA 0.236 4.589 4.350 0.004 0.000 0.194 438 E C 0.849 177.440 176.600 -0.015 0.000 1.045 438 E CA 0.545 56.932 56.400 -0.022 0.000 0.868 438 E CB -0.456 29.236 29.700 -0.014 0.000 0.885 438 E HN 0.545 nan 8.360 nan 0.000 0.505 439 A N 2.492 125.295 122.820 -0.028 0.000 2.425 439 A HA 0.339 4.661 4.320 0.004 0.000 0.242 439 A C 0.413 177.992 177.584 -0.007 0.000 1.077 439 A CA -0.236 51.792 52.037 -0.015 0.000 0.781 439 A CB 0.073 19.052 19.000 -0.036 0.000 1.020 439 A HN 0.305 nan 8.150 nan 0.000 0.494 440 N N -1.255 117.447 118.700 0.005 0.000 3.039 440 N HA 0.514 5.256 4.740 0.004 0.000 0.257 440 N C 0.287 175.802 175.510 0.008 0.000 1.497 440 N CA -0.093 52.958 53.050 0.002 0.000 0.861 440 N CB 0.643 39.131 38.487 0.001 0.000 1.479 440 N HN 0.558 nan 8.380 nan 0.000 0.547 441 A N -0.784 122.039 122.820 0.005 0.000 2.076 441 A HA -0.172 4.150 4.320 0.004 0.000 0.220 441 A C 1.459 179.052 177.584 0.014 0.000 1.160 441 A CA 2.193 54.235 52.037 0.008 0.000 0.653 441 A CB -1.066 17.936 19.000 0.004 0.000 0.801 441 A HN 0.798 nan 8.150 nan 0.000 0.455 442 D N -0.016 120.391 120.400 0.012 0.000 2.183 442 D HA -0.107 4.535 4.640 0.004 0.000 0.205 442 D C 1.301 177.612 176.300 0.018 0.000 0.962 442 D CA 1.352 55.358 54.000 0.011 0.000 0.849 442 D CB -0.117 40.683 40.800 -0.000 0.000 0.978 442 D HN 0.572 nan 8.370 nan 0.000 0.488 443 N N -0.917 117.804 118.700 0.036 0.000 2.187 443 N HA 0.164 4.907 4.740 0.004 0.000 0.212 443 N C 1.700 177.293 175.510 0.139 0.000 1.152 443 N CA 0.470 53.572 53.050 0.087 0.000 0.872 443 N CB -0.356 38.193 38.487 0.102 0.000 1.025 443 N HN 0.099 nan 8.380 nan 0.000 0.514 444 G N 2.032 110.875 108.800 0.072 0.000 2.719 444 G HA2 -0.378 3.585 3.960 0.004 0.000 0.219 444 G HA3 -0.378 3.585 3.960 0.004 0.000 0.219 444 G C 1.588 176.515 174.900 0.045 0.000 1.234 444 G CA 1.068 46.195 45.100 0.044 0.000 0.788 444 G HN 0.355 nan 8.290 nan 0.000 0.619 445 R N -0.567 119.971 120.500 0.064 0.000 2.091 445 R HA -0.066 4.276 4.340 0.004 0.000 0.238 445 R C 2.444 178.785 176.300 0.068 0.000 1.136 445 R CA 1.447 57.581 56.100 0.056 0.000 0.959 445 R CB -0.652 29.688 30.300 0.067 0.000 0.856 445 R HN 0.499 nan 8.270 nan 0.000 0.437 446 F N 1.460 121.393 119.950 -0.029 0.000 2.146 446 F HA -0.155 4.375 4.527 0.004 0.000 0.298 446 F C 2.176 177.943 175.800 -0.055 0.000 1.096 446 F CA 1.299 59.275 58.000 -0.039 0.000 1.275 446 F CB -0.042 38.931 39.000 -0.045 0.000 1.008 446 F HN -0.155 nan 8.300 nan 0.000 0.480 447 M N 0.157 119.661 119.600 -0.161 0.000 2.117 447 M HA -0.206 4.277 4.480 0.004 0.000 0.262 447 M C 2.263 178.396 176.300 -0.279 0.000 1.065 447 M CA 1.670 56.801 55.300 -0.281 0.000 1.114 447 M CB -1.303 31.236 32.600 -0.100 0.000 1.361 447 M HN 0.316 nan 8.290 nan 0.000 0.408 448 M N -0.516 118.982 119.600 -0.170 0.000 2.144 448 M HA -0.224 4.258 4.480 0.004 0.000 0.260 448 M C 1.918 178.127 176.300 -0.152 0.000 1.067 448 M CA 1.586 56.801 55.300 -0.141 0.000 1.095 448 M CB -0.585 31.968 32.600 -0.078 0.000 1.365 448 M HN 0.128 nan 8.290 nan 0.000 0.406 449 E N 0.768 120.863 120.200 -0.175 0.000 2.285 449 E HA -0.011 4.341 4.350 0.004 0.000 0.194 449 E C 1.750 178.247 176.600 -0.172 0.000 0.997 449 E CA 0.719 57.035 56.400 -0.140 0.000 0.845 449 E CB -0.154 29.489 29.700 -0.096 0.000 0.782 449 E HN 0.474 nan 8.360 nan 0.000 0.491 450 L N -0.719 120.311 121.223 -0.322 0.000 2.291 450 L HA 0.030 4.373 4.340 0.004 0.000 0.214 450 L C 2.119 178.955 176.870 -0.056 0.000 1.120 450 L CA 0.988 55.676 54.840 -0.254 0.000 0.799 450 L CB -0.458 41.330 42.059 -0.452 0.000 0.925 450 L HN 0.276 nan 8.230 nan 0.000 0.446 451 G N 0.151 108.844 108.800 -0.178 0.000 2.598 451 G HA2 -0.174 3.788 3.960 0.004 0.000 0.215 451 G HA3 -0.174 3.788 3.960 0.004 0.000 0.215 451 G C 1.454 176.390 174.900 0.060 0.000 1.131 451 G CA 0.128 45.104 45.100 -0.207 0.000 0.785 451 G HN 0.349 nan 8.290 nan 0.000 0.539 452 K N -0.569 119.890 120.400 0.099 0.000 2.374 452 K HA 0.194 4.516 4.320 0.004 0.000 0.196 452 K C 1.458 178.184 176.600 0.210 0.000 1.023 452 K CA -0.529 55.828 56.287 0.116 0.000 1.103 452 K CB 0.036 32.571 32.500 0.058 0.000 0.848 452 K HN 0.285 nan 8.250 nan 0.000 0.528 453 Y N 1.613 122.016 120.300 0.171 0.000 2.193 453 Y HA -0.199 4.353 4.550 0.004 0.000 0.285 453 Y C 1.330 177.291 175.900 0.102 0.000 1.166 453 Y CA 1.456 59.625 58.100 0.116 0.000 1.181 453 Y CB -0.069 38.446 38.460 0.091 0.000 0.976 453 Y HN -0.010 nan 8.280 nan 0.000 0.520 454 L N 0.024 121.330 121.223 0.138 0.000 2.549 454 L HA -0.115 4.227 4.340 0.004 0.000 0.229 454 L C 1.805 178.814 176.870 0.232 0.000 1.158 454 L CA 0.911 55.825 54.840 0.123 0.000 0.842 454 L CB -0.313 41.880 42.059 0.223 0.000 0.952 454 L HN 0.184 nan 8.230 nan 0.000 0.452 455 R N -0.895 119.722 120.500 0.196 0.000 2.397 455 R HA 0.175 4.518 4.340 0.004 0.000 0.241 455 R C 0.251 176.650 176.300 0.165 0.000 0.914 455 R CA -0.195 56.062 56.100 0.262 0.000 1.071 455 R CB 0.445 30.855 30.300 0.184 0.000 1.116 455 R HN 0.043 nan 8.270 nan 0.000 0.524 456 V N 1.694 121.598 119.914 -0.018 0.000 2.509 456 V HA 0.055 4.178 4.120 0.004 0.000 0.297 456 V C 1.403 177.313 176.094 -0.307 0.000 1.014 456 V CA 1.550 63.806 62.300 -0.072 0.000 1.127 456 V CB 0.510 32.291 31.823 -0.070 0.000 0.925 456 V HN 0.777 nan 8.190 nan 0.000 0.480 457 G N 4.334 113.043 108.800 -0.153 0.000 2.175 457 G HA2 -0.273 3.690 3.960 0.004 0.000 0.244 457 G HA3 -0.273 3.690 3.960 0.004 0.000 0.244 457 G C 0.170 175.048 174.900 -0.036 0.000 0.982 457 G CA 0.388 45.375 45.100 -0.188 0.000 0.641 457 G HN 0.642 nan 8.290 nan 0.000 0.527 458 F N -1.206 118.965 119.950 0.369 0.000 2.831 458 F HA 0.617 5.147 4.527 0.004 0.000 0.334 458 F C 0.407 176.530 175.800 0.540 0.000 1.071 458 F CA -1.067 57.180 58.000 0.412 0.000 1.172 458 F CB 0.439 39.582 39.000 0.238 0.000 1.054 458 F HN 0.132 nan 8.300 nan 0.000 0.572 459 F N 2.321 122.432 119.950 0.268 0.000 2.588 459 F HA 0.618 5.147 4.527 0.004 0.000 0.310 459 F C -2.620 172.723 175.800 -0.762 0.000 1.082 459 F CA -2.804 55.157 58.000 -0.065 0.000 0.929 459 F CB 1.828 40.836 39.000 0.013 0.000 1.254 459 F HN -0.323 nan 8.300 nan 0.000 0.455 460 P HA 0.065 nan 4.420 nan 0.000 0.269 460 P C -0.604 176.351 177.300 -0.575 0.000 1.209 460 P CA 0.518 62.841 63.100 -1.296 0.000 0.776 460 P CB 0.677 31.850 31.700 -0.880 0.000 0.876 461 D N 0.391 120.479 120.400 -0.519 0.000 2.723 461 D HA -0.134 4.509 4.640 0.004 0.000 0.236 461 D C -1.124 175.097 176.300 -0.132 0.000 1.138 461 D CA 0.643 54.492 54.000 -0.251 0.000 0.676 461 D CB -1.339 39.378 40.800 -0.138 0.000 1.069 461 D HN 0.023 nan 8.370 nan 0.000 0.430 462 V N 1.617 121.432 119.914 -0.165 0.000 2.334 462 V HA 0.364 4.487 4.120 0.004 0.000 0.281 462 V C 0.895 176.985 176.094 -0.007 0.000 1.016 462 V CA -0.491 61.791 62.300 -0.029 0.000 0.832 462 V CB 1.874 33.720 31.823 0.039 0.000 0.999 462 V HN 0.020 nan 8.190 nan 0.000 0.439 463 K N 2.169 122.631 120.400 0.102 0.000 2.564 463 K HA 0.187 4.509 4.320 0.004 0.000 0.205 463 K C 1.479 178.292 176.600 0.356 0.000 1.053 463 K CA -0.100 56.355 56.287 0.280 0.000 1.072 463 K CB 0.798 33.401 32.500 0.172 0.000 0.822 463 K HN 0.647 nan 8.250 nan 0.000 0.497 464 T N 1.030 115.745 114.554 0.268 0.000 2.685 464 T HA -0.165 4.188 4.350 0.004 0.000 0.268 464 T C 1.716 176.507 174.700 0.153 0.000 1.034 464 T CA 2.193 64.403 62.100 0.184 0.000 1.149 464 T CB -0.227 68.777 68.868 0.227 0.000 0.860 464 T HN 0.256 nan 8.240 nan 0.000 0.449 465 T N 2.189 116.828 114.554 0.143 0.000 2.685 465 T HA -0.127 4.226 4.350 0.004 0.000 0.268 465 T C 1.897 176.568 174.700 -0.049 0.000 1.034 465 T CA 1.230 63.285 62.100 -0.074 0.000 1.149 465 T CB -0.588 67.942 68.868 -0.563 0.000 0.860 465 T HN 0.380 nan 8.240 nan 0.000 0.449 466 I N 1.477 122.080 120.570 0.054 0.000 2.335 466 I HA -0.197 3.975 4.170 0.004 0.000 0.251 466 I C 2.228 178.399 176.117 0.090 0.000 1.129 466 I CA 1.157 62.509 61.300 0.087 0.000 1.402 466 I CB -0.287 37.815 38.000 0.170 0.000 1.069 466 I HN 0.327 nan 8.210 nan 0.000 0.424 467 N N -0.275 118.488 118.700 0.105 0.000 2.424 467 N HA -0.020 4.723 4.740 0.004 0.000 0.178 467 N C 1.574 177.206 175.510 0.203 0.000 1.060 467 N CA 0.626 53.771 53.050 0.160 0.000 0.901 467 N CB 0.579 39.160 38.487 0.156 0.000 0.979 467 N HN 0.229 nan 8.380 nan 0.000 0.451 468 L N 0.418 121.696 121.223 0.092 0.000 2.356 468 L HA 0.117 4.459 4.340 0.004 0.000 0.193 468 L C 1.880 178.769 176.870 0.032 0.000 1.087 468 L CA 1.400 56.247 54.840 0.011 0.000 0.817 468 L CB -0.398 41.553 42.059 -0.181 0.000 1.035 468 L HN 0.027 nan 8.230 nan 0.000 0.482 469 S N -2.228 113.508 115.700 0.061 0.000 2.666 469 S HA 0.438 4.910 4.470 0.004 0.000 0.239 469 S C 0.841 175.491 174.600 0.084 0.000 1.031 469 S CA 0.041 58.300 58.200 0.097 0.000 1.015 469 S CB 0.206 63.497 63.200 0.152 0.000 0.981 469 S HN 0.285 nan 8.310 nan 0.000 0.547 470 G N 1.954 110.797 108.800 0.072 0.000 2.890 470 G HA2 0.529 4.491 3.960 0.004 0.000 0.189 470 G HA3 0.529 4.491 3.960 0.004 0.000 0.189 470 G C -2.031 172.980 174.900 0.185 0.000 1.342 470 G CA -1.570 43.583 45.100 0.089 0.000 1.026 470 G HN 0.037 nan 8.290 nan 0.000 0.579 471 P HA -0.137 nan 4.420 nan 0.000 0.218 471 P C 1.522 178.897 177.300 0.126 0.000 1.150 471 P CA 1.232 64.368 63.100 0.060 0.000 0.841 471 P CB 0.228 31.921 31.700 -0.012 0.000 0.784 472 E N -1.005 119.250 120.200 0.091 0.000 2.216 472 E HA -0.035 4.317 4.350 0.004 0.000 0.192 472 E C 2.047 178.633 176.600 -0.024 0.000 0.988 472 E CA 1.016 57.442 56.400 0.043 0.000 0.834 472 E CB -0.624 29.114 29.700 0.063 0.000 0.772 472 E HN 0.201 nan 8.360 nan 0.000 0.479 473 A N 0.516 123.319 122.820 -0.028 0.000 1.972 473 A HA -0.176 4.147 4.320 0.004 0.000 0.219 473 A C 1.858 179.225 177.584 -0.360 0.000 1.169 473 A CA 1.062 52.985 52.037 -0.190 0.000 0.635 473 A CB -0.631 18.241 19.000 -0.214 0.000 0.810 473 A HN 0.197 nan 8.150 nan 0.000 0.446 474 Y N -0.251 119.869 120.300 -0.299 0.000 2.184 474 Y HA -0.005 4.547 4.550 0.004 0.000 0.290 474 Y C 2.927 178.386 175.900 -0.735 0.000 1.129 474 Y CA 0.876 58.648 58.100 -0.548 0.000 1.144 474 Y CB -0.670 37.574 38.460 -0.361 0.000 0.995 474 Y HN 0.298 nan 8.280 nan 0.000 0.513 475 A N 0.165 122.887 122.820 -0.163 0.000 1.902 475 A HA -0.141 4.181 4.320 0.004 0.000 0.217 475 A C 2.433 179.931 177.584 -0.144 0.000 1.181 475 A CA 1.839 53.844 52.037 -0.054 0.000 0.623 475 A CB -1.258 17.754 19.000 0.021 0.000 0.818 475 A HN 0.408 nan 8.150 nan 0.000 0.443 476 A N -0.102 122.608 122.820 -0.183 0.000 1.902 476 A HA 0.134 4.456 4.320 0.004 0.000 0.217 476 A C 2.507 179.954 177.584 -0.228 0.000 1.181 476 A CA 2.161 54.087 52.037 -0.184 0.000 0.623 476 A CB -1.014 17.870 19.000 -0.193 0.000 0.818 476 A HN 1.063 nan 8.150 nan 0.000 0.443 477 A N -1.168 121.434 122.820 -0.364 0.000 1.902 477 A HA -0.061 4.262 4.320 0.004 0.000 0.217 477 A C 2.063 179.459 177.584 -0.313 0.000 1.181 477 A CA 1.615 53.421 52.037 -0.385 0.000 0.623 477 A CB -0.823 17.847 19.000 -0.551 0.000 0.818 477 A HN 0.567 nan 8.150 nan 0.000 0.443 478 Y N -0.167 119.952 120.300 -0.300 0.000 2.224 478 Y HA -0.192 4.361 4.550 0.004 0.000 0.289 478 Y C 2.597 178.374 175.900 -0.206 0.000 1.146 478 Y CA 1.229 59.082 58.100 -0.412 0.000 1.182 478 Y CB -0.911 37.147 38.460 -0.669 0.000 0.983 478 Y HN 0.546 nan 8.280 nan 0.000 0.524 479 Q N 0.300 120.078 119.800 -0.037 0.000 2.079 479 Q HA -0.176 4.166 4.340 0.004 0.000 0.200 479 Q C 1.503 177.477 176.000 -0.042 0.000 0.974 479 Q CA 1.663 57.428 55.803 -0.063 0.000 0.840 479 Q CB -0.033 28.636 28.738 -0.116 0.000 0.898 479 Q HN 0.314 nan 8.270 nan 0.000 0.430 480 D N 0.501 120.871 120.400 -0.051 0.000 2.116 480 D HA -0.205 4.438 4.640 0.004 0.000 0.193 480 D C 1.830 178.141 176.300 0.020 0.000 0.998 480 D CA 1.050 55.044 54.000 -0.009 0.000 0.836 480 D CB -0.279 40.505 40.800 -0.025 0.000 0.951 480 D HN 0.226 nan 8.370 nan 0.000 0.449 481 L N 0.406 121.625 121.223 -0.007 0.000 1.970 481 L HA -0.123 4.220 4.340 0.004 0.000 0.212 481 L C 2.172 178.962 176.870 -0.132 0.000 1.071 481 L CA 1.540 56.356 54.840 -0.039 0.000 0.751 481 L CB -0.462 41.577 42.059 -0.035 0.000 0.889 481 L HN 0.053 nan 8.230 nan 0.000 0.432 482 L N -1.436 119.720 121.223 -0.111 0.000 2.465 482 L HA -0.073 4.269 4.340 0.004 0.000 0.224 482 L C 1.825 178.511 176.870 -0.307 0.000 1.145 482 L CA 0.584 55.307 54.840 -0.195 0.000 0.834 482 L CB -0.255 41.796 42.059 -0.013 0.000 0.944 482 L HN 0.360 nan 8.230 nan 0.000 0.451 483 M N -1.253 118.233 119.600 -0.190 0.000 2.405 483 M HA 0.172 4.655 4.480 0.004 0.000 0.292 483 M C -0.277 176.099 176.300 0.126 0.000 1.111 483 M CA -0.152 55.146 55.300 -0.003 0.000 0.979 483 M CB 0.683 33.341 32.600 0.096 0.000 1.426 483 M HN 0.011 nan 8.290 nan 0.000 0.509 484 F N 1.187 121.201 119.950 0.106 0.000 3.090 484 F HA -0.354 4.175 4.527 0.004 0.000 0.282 484 F C 0.536 176.377 175.800 0.068 0.000 0.923 484 F CA 0.861 58.896 58.000 0.058 0.000 0.977 484 F CB -2.298 36.651 39.000 -0.085 0.000 0.954 484 F HN 0.252 nan 8.300 nan 0.000 0.695 485 K N -0.929 119.584 120.400 0.189 0.000 2.263 485 K HA 0.871 5.193 4.320 0.004 0.000 0.249 485 K C -0.640 176.027 176.600 0.112 0.000 1.076 485 K CA -1.250 55.118 56.287 0.136 0.000 0.884 485 K CB 2.378 34.936 32.500 0.097 0.000 1.394 485 K HN 0.121 nan 8.250 nan 0.000 0.476 486 E N -0.971 119.269 120.200 0.067 0.000 2.340 486 E HA 0.407 4.759 4.350 0.004 0.000 0.273 486 E C -0.548 176.045 176.600 -0.012 0.000 0.891 486 E CA -0.860 55.555 56.400 0.025 0.000 0.757 486 E CB 1.941 31.655 29.700 0.024 0.000 1.231 486 E HN 0.940 nan 8.360 nan 0.000 0.439 487 G N 1.649 110.419 108.800 -0.050 0.000 2.142 487 G HA2 -0.262 3.700 3.960 0.004 0.000 0.225 487 G HA3 -0.262 3.700 3.960 0.004 0.000 0.225 487 G C 0.056 174.907 174.900 -0.082 0.000 1.015 487 G CA 0.042 45.096 45.100 -0.076 0.000 0.716 487 G HN 0.371 nan 8.290 nan 0.000 0.508 488 S N 0.149 115.806 115.700 -0.072 0.000 2.563 488 S HA 0.403 4.876 4.470 0.004 0.000 0.294 488 S C 1.368 175.895 174.600 -0.120 0.000 1.279 488 S CA 0.431 58.592 58.200 -0.066 0.000 1.069 488 S CB 0.796 63.963 63.200 -0.054 0.000 0.828 488 S HN 0.328 nan 8.310 nan 0.000 0.497 489 M N 1.642 121.178 119.600 -0.106 0.000 2.249 489 M HA 0.221 4.703 4.480 0.004 0.000 0.318 489 M C 0.145 176.399 176.300 -0.077 0.000 0.930 489 M CA 0.119 55.318 55.300 -0.168 0.000 1.080 489 M CB -0.560 31.927 32.600 -0.188 0.000 1.797 489 M HN 0.512 nan 8.290 nan 0.000 0.619 490 N N 2.043 120.733 118.700 -0.016 0.000 2.626 490 N HA 0.247 4.989 4.740 0.004 0.000 0.242 490 N C -1.250 174.297 175.510 0.062 0.000 1.005 490 N CA -0.260 52.811 53.050 0.036 0.000 0.905 490 N CB 0.699 39.218 38.487 0.054 0.000 1.128 490 N HN -0.079 nan 8.380 nan 0.000 0.512 491 I N 4.991 125.582 120.570 0.035 0.000 2.494 491 I HA 0.028 4.200 4.170 0.004 0.000 0.289 491 I C 1.657 177.810 176.117 0.059 0.000 1.106 491 I CA 0.187 61.493 61.300 0.009 0.000 1.369 491 I CB -0.189 37.812 38.000 0.001 0.000 1.410 491 I HN 0.640 nan 8.210 nan 0.000 0.523 492 H N 6.089 125.179 119.070 0.033 0.000 2.652 492 H HA 0.302 4.861 4.556 0.004 0.000 0.274 492 H C 0.338 175.699 175.328 0.054 0.000 1.021 492 H CA -0.407 55.666 56.048 0.040 0.000 1.187 492 H CB 0.287 30.070 29.762 0.034 0.000 1.505 492 H HN 0.352 nan 8.280 nan 0.000 0.530 493 L N 2.380 123.461 121.223 -0.237 0.000 2.485 493 L HA 0.112 4.454 4.340 0.004 0.000 0.275 493 L C 0.441 177.332 176.870 0.035 0.000 1.207 493 L CA -0.126 54.657 54.840 -0.096 0.000 0.855 493 L CB 0.482 42.500 42.059 -0.069 0.000 1.114 493 L HN 0.181 nan 8.230 nan 0.000 0.485 494 I N -1.036 119.578 120.570 0.074 0.000 3.204 494 I HA 0.270 4.442 4.170 0.004 0.000 0.313 494 I C 1.267 177.456 176.117 0.118 0.000 1.082 494 I CA -0.690 60.666 61.300 0.094 0.000 1.033 494 I CB 0.531 38.586 38.000 0.092 0.000 1.304 494 I HN 0.601 nan 8.210 nan 0.000 0.536 495 E N 1.237 121.516 120.200 0.133 0.000 2.114 495 E HA -0.327 4.025 4.350 0.004 0.000 0.199 495 E C 2.044 178.743 176.600 0.164 0.000 1.008 495 E CA 2.125 58.635 56.400 0.184 0.000 0.810 495 E CB -0.111 29.690 29.700 0.168 0.000 0.739 495 E HN 0.799 nan 8.360 nan 0.000 0.456 496 A N 1.061 123.944 122.820 0.105 0.000 1.972 496 A HA -0.216 4.107 4.320 0.004 0.000 0.219 496 A C 1.751 179.380 177.584 0.074 0.000 1.169 496 A CA 1.790 53.868 52.037 0.069 0.000 0.635 496 A CB -0.352 18.679 19.000 0.051 0.000 0.810 496 A HN 0.288 nan 8.150 nan 0.000 0.446 497 D N 0.242 120.705 120.400 0.104 0.000 2.097 497 D HA -0.103 4.540 4.640 0.004 0.000 0.197 497 D C 1.930 178.348 176.300 0.196 0.000 0.984 497 D CA 1.221 55.295 54.000 0.123 0.000 0.826 497 D CB -0.365 40.507 40.800 0.121 0.000 0.973 497 D HN 0.469 nan 8.370 nan 0.000 0.460 498 L N 0.708 122.080 121.223 0.248 0.000 2.201 498 L HA -0.073 4.269 4.340 0.004 0.000 0.212 498 L C 2.474 179.595 176.870 0.418 0.000 1.105 498 L CA 0.529 55.590 54.840 0.368 0.000 0.775 498 L CB -0.247 42.026 42.059 0.357 0.000 0.913 498 L HN -0.122 nan 8.230 nan 0.000 0.440 499 R N 0.566 121.194 120.500 0.213 0.000 2.139 499 R HA -0.134 4.209 4.340 0.004 0.000 0.243 499 R C 1.787 178.022 176.300 -0.109 0.000 1.145 499 R CA 0.975 57.029 56.100 -0.077 0.000 0.976 499 R CB -0.987 29.222 30.300 -0.151 0.000 0.866 499 R HN 0.530 nan 8.270 nan 0.000 0.449 500 N N 0.106 118.713 118.700 -0.156 0.000 2.348 500 N HA -0.155 4.587 4.740 0.004 0.000 0.185 500 N C 0.847 175.980 175.510 -0.629 0.000 1.019 500 N CA 1.087 53.877 53.050 -0.434 0.000 0.880 500 N CB -0.120 37.981 38.487 -0.643 0.000 0.965 500 N HN 0.241 nan 8.380 nan 0.000 0.437 501 F N 0.792 120.666 119.950 -0.128 0.000 2.682 501 F HA 0.157 4.686 4.527 0.004 0.000 0.308 501 F C 0.856 176.675 175.800 0.032 0.000 1.093 501 F CA -0.669 57.239 58.000 -0.154 0.000 1.244 501 F CB 0.016 38.668 39.000 -0.581 0.000 1.052 501 F HN -0.075 nan 8.300 nan 0.000 0.573 502 E N 2.001 122.318 120.200 0.195 0.000 2.384 502 E HA 0.151 4.503 4.350 0.004 0.000 0.266 502 E C -0.143 176.541 176.600 0.140 0.000 1.012 502 E CA -0.271 56.262 56.400 0.222 0.000 0.901 502 E CB 1.011 30.623 29.700 -0.147 0.000 0.967 502 E HN 0.287 nan 8.360 nan 0.000 0.435 503 I N 3.114 123.797 120.570 0.189 0.000 2.529 503 I HA -0.015 4.158 4.170 0.004 0.000 0.284 503 I C 0.642 176.821 176.117 0.103 0.000 1.082 503 I CA -0.414 60.968 61.300 0.137 0.000 1.406 503 I CB 0.972 39.064 38.000 0.153 0.000 1.405 503 I HN 0.625 nan 8.210 nan 0.000 0.548 504 S N 4.668 120.410 115.700 0.070 0.000 2.549 504 S HA 0.058 4.531 4.470 0.004 0.000 0.283 504 S C 0.888 175.535 174.600 0.079 0.000 1.320 504 S CA -0.719 57.511 58.200 0.050 0.000 1.058 504 S CB 1.295 64.515 63.200 0.034 0.000 0.882 504 S HN 0.631 nan 8.310 nan 0.000 0.498 505 K N 2.111 122.554 120.400 0.072 0.000 2.218 505 K HA -0.129 4.193 4.320 0.004 0.000 0.205 505 K C 2.071 178.732 176.600 0.101 0.000 1.046 505 K CA 2.051 58.397 56.287 0.098 0.000 0.933 505 K CB -1.034 31.519 32.500 0.087 0.000 0.728 505 K HN 0.939 nan 8.250 nan 0.000 0.454 506 T N -2.994 111.610 114.554 0.083 0.000 3.072 506 T HA -0.030 4.322 4.350 0.004 0.000 0.266 506 T C 1.288 176.039 174.700 0.086 0.000 1.127 506 T CA 1.295 63.442 62.100 0.078 0.000 1.107 506 T CB -0.330 68.573 68.868 0.059 0.000 0.910 506 T HN 0.280 nan 8.240 nan 0.000 0.513 507 N N 0.282 119.045 118.700 0.106 0.000 2.373 507 N HA 0.321 5.063 4.740 0.004 0.000 0.181 507 N C -0.200 175.428 175.510 0.196 0.000 1.082 507 N CA 0.182 53.310 53.050 0.131 0.000 0.885 507 N CB 0.233 38.797 38.487 0.130 0.000 0.977 507 N HN 0.465 nan 8.380 nan 0.000 0.462 508 I N -0.553 120.129 120.570 0.186 0.000 2.722 508 I HA 0.239 4.411 4.170 0.004 0.000 0.295 508 I C -0.878 175.338 176.117 0.165 0.000 1.161 508 I CA -0.812 60.631 61.300 0.238 0.000 1.032 508 I CB 2.375 40.539 38.000 0.274 0.000 1.244 508 I HN -0.259 nan 8.210 nan 0.000 0.421 509 S N 3.741 119.524 115.700 0.138 0.000 2.423 509 S HA 0.263 4.736 4.470 0.004 0.000 0.317 509 S C 0.489 175.194 174.600 0.174 0.000 1.065 509 S CA -0.492 57.788 58.200 0.134 0.000 1.111 509 S CB 1.300 64.565 63.200 0.109 0.000 0.968 509 S HN 0.611 nan 8.310 nan 0.000 0.474 510 Q N 1.504 121.408 119.800 0.174 0.000 2.339 510 Q HA 0.114 4.456 4.340 0.004 0.000 0.205 510 Q C 0.563 176.666 176.000 0.173 0.000 0.925 510 Q CA 0.370 56.285 55.803 0.187 0.000 0.898 510 Q CB 0.214 29.055 28.738 0.173 0.000 1.013 510 Q HN 0.480 nan 8.270 nan 0.000 0.504 511 S N 2.006 117.792 115.700 0.143 0.000 3.544 511 S HA 0.023 4.495 4.470 0.004 0.000 0.227 511 S C 0.257 174.936 174.600 0.132 0.000 1.387 511 S CA -0.064 58.204 58.200 0.113 0.000 1.182 511 S CB -0.782 62.461 63.200 0.073 0.000 1.243 511 S HN 0.360 nan 8.310 nan 0.000 0.467 512 T N -1.883 112.790 114.554 0.199 0.000 2.902 512 T HA 0.346 4.699 4.350 0.004 0.000 0.280 512 T C 1.102 175.931 174.700 0.215 0.000 0.992 512 T CA -0.830 61.444 62.100 0.291 0.000 1.015 512 T CB 1.192 70.332 68.868 0.455 0.000 1.044 512 T HN 0.344 nan 8.240 nan 0.000 0.520 513 E N 0.115 120.421 120.200 0.176 0.000 2.038 513 E HA -0.239 4.114 4.350 0.004 0.000 0.195 513 E C 1.972 178.594 176.600 0.036 0.000 1.000 513 E CA 1.200 57.580 56.400 -0.032 0.000 0.803 513 E CB -0.088 29.371 29.700 -0.402 0.000 0.750 513 E HN 0.618 nan 8.360 nan 0.000 0.448 514 Q N 0.267 120.119 119.800 0.087 0.000 2.226 514 Q HA -0.187 4.155 4.340 0.004 0.000 0.204 514 Q C 1.912 177.956 176.000 0.074 0.000 0.975 514 Q CA 1.413 57.219 55.803 0.004 0.000 0.866 514 Q CB -0.185 28.434 28.738 -0.198 0.000 0.915 514 Q HN 0.347 nan 8.270 nan 0.000 0.440 515 E N 0.367 120.650 120.200 0.138 0.000 2.153 515 E HA -0.125 4.227 4.350 0.004 0.000 0.194 515 E C 1.370 178.038 176.600 0.113 0.000 0.988 515 E CA 0.876 57.364 56.400 0.148 0.000 0.811 515 E CB -0.008 29.797 29.700 0.175 0.000 0.746 515 E HN 0.087 nan 8.360 nan 0.000 0.466 516 M N 0.237 119.891 119.600 0.089 0.000 2.630 516 M HA 0.204 4.686 4.480 0.004 0.000 0.254 516 M C 0.126 176.460 176.300 0.057 0.000 1.092 516 M CA 0.448 55.790 55.300 0.070 0.000 1.087 516 M CB -0.793 31.844 32.600 0.062 0.000 1.453 516 M HN 0.138 nan 8.290 nan 0.000 0.509 517 A N -0.307 122.547 122.820 0.057 0.000 2.357 517 A HA 0.565 4.887 4.320 0.004 0.000 0.295 517 A C -0.112 177.514 177.584 0.070 0.000 1.121 517 A CA -0.604 51.462 52.037 0.049 0.000 0.742 517 A CB 0.943 19.964 19.000 0.035 0.000 1.181 517 A HN 0.129 nan 8.150 nan 0.000 0.454 518 S N 1.863 117.592 115.700 0.047 0.000 2.545 518 S HA 0.366 4.838 4.470 0.004 0.000 0.275 518 S C 0.770 175.414 174.600 0.073 0.000 1.299 518 S CA -0.568 57.658 58.200 0.043 0.000 1.048 518 S CB 0.225 63.346 63.200 -0.132 0.000 0.938 518 S HN 0.570 nan 8.310 nan 0.000 0.496 519 L N 4.770 126.108 121.223 0.191 0.000 2.446 519 L HA 0.230 4.572 4.340 0.004 0.000 0.219 519 L C 1.580 178.599 176.870 0.247 0.000 1.116 519 L CA 0.859 55.836 54.840 0.229 0.000 0.844 519 L CB -0.812 41.431 42.059 0.305 0.000 0.970 519 L HN 0.930 nan 8.230 nan 0.000 0.457 520 W N -0.826 120.525 121.300 0.086 0.000 2.714 520 W HA 0.414 5.076 4.660 0.004 0.000 0.353 520 W C 0.202 176.767 176.519 0.077 0.000 0.999 520 W CA 0.233 57.607 57.345 0.048 0.000 1.629 520 W CB -0.458 29.011 29.460 0.015 0.000 1.106 520 W HN 0.158 nan 8.180 nan 0.000 0.545 521 S N 1.311 116.688 115.700 -0.538 0.000 2.638 521 S HA 0.843 5.315 4.470 0.004 0.000 0.274 521 S C -1.307 173.218 174.600 -0.125 0.000 1.157 521 S CA -0.628 57.214 58.200 -0.597 0.000 0.826 521 S CB 2.015 64.355 63.200 -1.434 0.000 1.139 521 S HN 0.443 nan 8.310 nan 0.000 0.474 522 F N -0.690 119.063 119.950 -0.329 0.000 2.650 522 F HA 0.712 5.241 4.527 0.004 0.000 0.310 522 F C -0.898 174.775 175.800 -0.211 0.000 1.112 522 F CA -1.116 56.750 58.000 -0.224 0.000 0.986 522 F CB 0.209 39.113 39.000 -0.161 0.000 1.285 522 F HN 0.717 nan 8.300 nan 0.000 0.440 523 D N 0.444 120.787 120.400 -0.094 0.000 2.451 523 D HA 0.236 4.879 4.640 0.004 0.000 0.259 523 D C 0.287 176.519 176.300 -0.114 0.000 1.201 523 D CA -0.109 53.806 54.000 -0.142 0.000 1.028 523 D CB 0.639 41.395 40.800 -0.075 0.000 1.095 523 D HN 0.509 nan 8.370 nan 0.000 0.539 524 D N -0.468 119.872 120.400 -0.100 0.000 2.117 524 D HA -0.071 4.571 4.640 0.004 0.000 0.197 524 D C 1.980 178.192 176.300 -0.147 0.000 0.987 524 D CA 2.190 56.151 54.000 -0.065 0.000 0.829 524 D CB -0.582 40.237 40.800 0.032 0.000 0.961 524 D HN 0.527 nan 8.370 nan 0.000 0.460 525 A N 0.505 123.263 122.820 -0.102 0.000 1.902 525 A HA -0.202 4.120 4.320 0.004 0.000 0.217 525 A C 2.163 179.688 177.584 -0.099 0.000 1.181 525 A CA 1.604 53.573 52.037 -0.114 0.000 0.623 525 A CB -0.482 18.484 19.000 -0.056 0.000 0.818 525 A HN 0.118 nan 8.150 nan 0.000 0.443 526 R N -0.525 119.955 120.500 -0.034 0.000 2.075 526 R HA -0.073 4.270 4.340 0.004 0.000 0.232 526 R C 2.352 178.678 176.300 0.044 0.000 1.126 526 R CA 1.332 57.438 56.100 0.010 0.000 0.963 526 R CB -0.408 29.934 30.300 0.070 0.000 0.858 526 R HN 0.443 nan 8.270 nan 0.000 0.435 527 A N 1.145 124.032 122.820 0.113 0.000 1.908 527 A HA -0.241 4.082 4.320 0.004 0.000 0.218 527 A C 2.065 179.769 177.584 0.199 0.000 1.181 527 A CA 1.780 53.937 52.037 0.199 0.000 0.627 527 A CB -0.459 18.525 19.000 -0.026 0.000 0.818 527 A HN 0.368 nan 8.150 nan 0.000 0.445 528 K N -0.566 119.678 120.400 -0.259 0.000 2.001 528 K HA -0.053 4.270 4.320 0.004 0.000 0.208 528 K C 2.244 178.802 176.600 -0.070 0.000 1.048 528 K CA 1.175 57.245 56.287 -0.363 0.000 0.932 528 K CB -0.344 31.801 32.500 -0.592 0.000 0.715 528 K HN 0.371 nan 8.250 nan 0.000 0.437 529 A N 0.996 123.755 122.820 -0.100 0.000 1.908 529 A HA -0.246 4.077 4.320 0.004 0.000 0.218 529 A C 2.040 179.520 177.584 -0.174 0.000 1.181 529 A CA 1.634 53.607 52.037 -0.107 0.000 0.627 529 A CB -0.586 18.357 19.000 -0.094 0.000 0.818 529 A HN 0.460 nan 8.150 nan 0.000 0.445 530 Q N -1.815 117.875 119.800 -0.184 0.000 2.020 530 Q HA -0.182 4.161 4.340 0.004 0.000 0.202 530 Q C 1.947 177.487 176.000 -0.765 0.000 0.982 530 Q CA 1.647 57.146 55.803 -0.506 0.000 0.838 530 Q CB -0.376 28.190 28.738 -0.286 0.000 0.899 530 Q HN 0.707 nan 8.270 nan 0.000 0.423 531 F N 1.983 121.681 119.950 -0.420 0.000 2.043 531 F HA -0.299 4.230 4.527 0.004 0.000 0.297 531 F C 1.838 177.409 175.800 -0.382 0.000 1.118 531 F CA 2.172 59.891 58.000 -0.468 0.000 1.202 531 F CB -0.318 38.575 39.000 -0.177 0.000 0.965 531 F HN 0.058 nan 8.300 nan 0.000 0.482 532 E N -0.476 119.501 120.200 -0.372 0.000 2.077 532 E HA -0.252 4.101 4.350 0.004 0.000 0.193 532 E C 2.105 178.503 176.600 -0.337 0.000 0.989 532 E CA 1.365 57.518 56.400 -0.413 0.000 0.800 532 E CB -0.261 29.314 29.700 -0.208 0.000 0.746 532 E HN 0.424 nan 8.360 nan 0.000 0.452 533 E N 0.019 120.027 120.200 -0.320 0.000 2.058 533 E HA -0.209 4.143 4.350 0.004 0.000 0.194 533 E C 1.582 178.103 176.600 -0.133 0.000 0.997 533 E CA 1.362 57.622 56.400 -0.233 0.000 0.801 533 E CB -0.217 29.328 29.700 -0.259 0.000 0.746 533 E HN 0.322 nan 8.360 nan 0.000 0.450 534 Y N 0.725 120.919 120.300 -0.175 0.000 2.181 534 Y HA -0.098 4.454 4.550 0.004 0.000 0.288 534 Y C 2.211 178.014 175.900 -0.162 0.000 1.146 534 Y CA 1.183 59.186 58.100 -0.163 0.000 1.164 534 Y CB -0.704 37.618 38.460 -0.230 0.000 0.982 534 Y HN 0.026 nan 8.280 nan 0.000 0.515 535 K N 0.078 120.370 120.400 -0.180 0.000 2.009 535 K HA -0.193 4.130 4.320 0.004 0.000 0.210 535 K C 2.283 178.906 176.600 0.038 0.000 1.049 535 K CA 1.665 57.861 56.287 -0.152 0.000 0.929 535 K CB -0.231 32.032 32.500 -0.395 0.000 0.714 535 K HN 0.184 nan 8.250 nan 0.000 0.440 536 R N 0.637 121.122 120.500 -0.025 0.000 2.094 536 R HA -0.141 4.202 4.340 0.004 0.000 0.239 536 R C 2.090 178.470 176.300 0.134 0.000 1.137 536 R CA 1.765 57.895 56.100 0.050 0.000 0.943 536 R CB -0.431 29.862 30.300 -0.012 0.000 0.850 536 R HN 0.257 nan 8.270 nan 0.000 0.433 537 N N 0.080 118.846 118.700 0.110 0.000 2.069 537 N HA -0.219 4.523 4.740 0.004 0.000 0.191 537 N C 1.625 177.216 175.510 0.135 0.000 1.031 537 N CA 1.292 54.410 53.050 0.114 0.000 0.852 537 N CB -0.596 37.967 38.487 0.126 0.000 1.018 537 N HN 0.265 nan 8.380 nan 0.000 0.423 538 Y N 0.610 120.943 120.300 0.055 0.000 2.165 538 Y HA -0.205 4.348 4.550 0.004 0.000 0.286 538 Y C 2.298 178.241 175.900 0.072 0.000 1.155 538 Y CA 1.335 59.464 58.100 0.048 0.000 1.164 538 Y CB -0.647 37.840 38.460 0.046 0.000 0.978 538 Y HN -0.001 nan 8.280 nan 0.000 0.513 539 F N 0.802 120.764 119.950 0.021 0.000 2.171 539 F HA -0.165 4.365 4.527 0.004 0.000 0.300 539 F C 2.110 177.853 175.800 -0.095 0.000 1.090 539 F CA 1.980 59.947 58.000 -0.054 0.000 1.293 539 F CB -0.107 38.892 39.000 -0.002 0.000 1.013 539 F HN 0.044 nan 8.300 nan 0.000 0.486 540 E N -0.207 119.991 120.200 -0.003 0.000 2.216 540 E HA 0.108 4.461 4.350 0.004 0.000 0.192 540 E C 1.408 177.935 176.600 -0.120 0.000 0.973 540 E CA 0.733 57.087 56.400 -0.077 0.000 0.851 540 E CB -0.628 29.094 29.700 0.038 0.000 0.804 540 E HN 0.283 nan 8.360 nan 0.000 0.477 541 G N 1.323 110.062 108.800 -0.102 0.000 2.916 541 G HA2 0.412 4.375 3.960 0.004 0.000 0.280 541 G HA3 0.412 4.375 3.960 0.004 0.000 0.280 541 G C -0.113 174.690 174.900 -0.162 0.000 0.758 541 G CA 0.698 45.738 45.100 -0.099 0.000 1.993 541 G HN 0.231 nan 8.290 nan 0.000 0.564 542 A N 0.000 122.718 122.820 -0.170 0.000 2.254 542 A HA 0.000 4.322 4.320 0.004 0.000 0.244 542 A CA 0.000 nan 52.037 nan 0.000 0.836 542 A CB 0.000 19.002 19.000 0.004 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486