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 3puj_1_A DATA FIRST_RESID 3 DATA SEQUENCE PIGLKAVVGE KIMHDVIKKV KKKGEWKVLV VDQLSMRMLS SCCKMTDIMT DATA SEQUENCE EGITIVEDIN KRREPLPSLE AVYLITPSEK SVHSLISDFK DPPTAKYRAA DATA SEQUENCE HVFFTDSCPD ALFNELVKSR AAKVIKTLTE INIAFLPYES QVYSLDSADS DATA SEQUENCE FQSFYSPHKA QMKNPILERL AEQIATLCAT LKEYPAVRYR GEYKDNALLA DATA SEQUENCE QLIQDKLDAY KADDPTMGEG PDKARSQLLI LDRGFDPSSP VLHELTFQAM DATA SEQUENCE SYDLLPIEND VYKYETXXXX XXXVKEVLLD EDDDLWIALR HKHIAEVSQE DATA SEQUENCE VTRSLKDFSS SKXXXXXXXX XMRDLSQMLK KMPQYQKELS KYSTHLHLAE DATA SEQUENCE DCMKHYQGTV DKLCRVEQDL AMGTDAEGEK IKDPMRAIVP ILLDANVSTY DATA SEQUENCE DKIRIILLYI FLKNGITEEN LNKLIQHAQI PPEDSEIITN MAHLGVPIVT DATA SEQUENCE XXXXXXXXXX XRKERISEQT YQLSRWTPII KDIMEDTIED KLDTKHYPYI DATA SEQUENCE SXXXXXXXXX XXXXXXXXXX XXXXXXXXXR SGPRLIIFIL GGVSLNEMRC DATA SEQUENCE AYEVTQANGK WEVLIGSTHI LTPQKLLDTL KKLNKTDE 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.333 177.300 0.054 0.000 1.155 3 P CA 0.000 63.136 63.100 0.059 0.000 0.800 3 P CB 0.000 31.741 31.700 0.069 0.000 0.726 4 I N 0.328 120.938 120.570 0.067 0.000 2.750 4 I HA 0.542 4.713 4.170 0.001 0.000 0.283 4 I C -0.523 175.643 176.117 0.082 0.000 1.464 4 I CA -0.106 61.232 61.300 0.063 0.000 1.093 4 I CB 1.185 39.212 38.000 0.044 0.000 1.417 4 I HN 0.399 nan 8.210 nan 0.000 0.424 5 G N 6.384 115.237 108.800 0.089 0.000 2.391 5 G HA2 0.210 4.170 3.960 0.001 0.000 0.234 5 G HA3 0.210 4.170 3.960 0.001 0.000 0.234 5 G C 0.848 175.816 174.900 0.113 0.000 1.284 5 G CA -0.205 44.961 45.100 0.110 0.000 0.873 5 G HN 0.806 nan 8.290 nan 0.000 0.549 6 L N 1.389 122.698 121.223 0.144 0.000 2.056 6 L HA -0.091 4.250 4.340 0.001 0.000 0.207 6 L C 3.036 180.002 176.870 0.160 0.000 1.078 6 L CA 1.359 56.303 54.840 0.172 0.000 0.749 6 L CB -0.307 41.892 42.059 0.233 0.000 0.901 6 L HN 0.625 nan 8.230 nan 0.000 0.433 7 K N 0.104 120.588 120.400 0.141 0.000 2.059 7 K HA -0.268 4.053 4.320 0.001 0.000 0.212 7 K C 2.169 178.814 176.600 0.075 0.000 1.050 7 K CA 1.755 58.103 56.287 0.100 0.000 0.927 7 K CB -0.403 32.145 32.500 0.081 0.000 0.714 7 K HN 0.332 nan 8.250 nan 0.000 0.447 8 A N 1.138 124.002 122.820 0.073 0.000 1.865 8 A HA -0.153 4.167 4.320 0.001 0.000 0.217 8 A C 2.459 180.074 177.584 0.051 0.000 1.191 8 A CA 1.783 53.854 52.037 0.056 0.000 0.623 8 A CB -0.840 18.192 19.000 0.054 0.000 0.826 8 A HN 0.088 nan 8.150 nan 0.000 0.444 9 V N -0.326 119.627 119.914 0.066 0.000 2.231 9 V HA -0.277 3.844 4.120 0.001 0.000 0.248 9 V C 2.579 178.705 176.094 0.054 0.000 1.054 9 V CA 2.225 64.563 62.300 0.062 0.000 1.015 9 V CB -1.020 30.856 31.823 0.087 0.000 0.638 9 V HN 0.372 nan 8.190 nan 0.000 0.444 10 V N 0.782 120.735 119.914 0.064 0.000 2.407 10 V HA -0.194 3.927 4.120 0.001 0.000 0.248 10 V C 2.605 178.699 176.094 -0.001 0.000 1.055 10 V CA 2.128 64.436 62.300 0.013 0.000 1.049 10 V CB -1.526 30.280 31.823 -0.028 0.000 0.662 10 V HN 0.634 nan 8.190 nan 0.000 0.455 11 G N -0.227 108.581 108.800 0.015 0.000 2.514 11 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 11 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 11 G C 1.394 176.302 174.900 0.013 0.000 1.198 11 G CA 1.057 46.163 45.100 0.010 0.000 0.780 11 G HN 0.565 nan 8.290 nan 0.000 0.565 12 E N 0.338 120.550 120.200 0.020 0.000 2.086 12 E HA -0.225 4.126 4.350 0.001 0.000 0.200 12 E C 2.596 179.217 176.600 0.035 0.000 1.012 12 E CA 1.484 57.897 56.400 0.022 0.000 0.812 12 E CB -0.111 29.590 29.700 0.002 0.000 0.743 12 E HN 0.224 nan 8.360 nan 0.000 0.453 13 K N 0.769 121.182 120.400 0.021 0.000 1.985 13 K HA -0.102 4.219 4.320 0.001 0.000 0.210 13 K C 2.038 178.648 176.600 0.018 0.000 1.047 13 K CA 1.160 57.465 56.287 0.029 0.000 0.932 13 K CB -0.398 32.112 32.500 0.018 0.000 0.716 13 K HN 0.115 nan 8.250 nan 0.000 0.439 14 I N 0.270 120.827 120.570 -0.021 0.000 2.208 14 I HA -0.304 3.867 4.170 0.001 0.000 0.245 14 I C 2.153 178.226 176.117 -0.073 0.000 1.097 14 I CA 1.048 62.307 61.300 -0.069 0.000 1.363 14 I CB -0.262 37.695 38.000 -0.072 0.000 1.051 14 I HN 0.197 nan 8.210 nan 0.000 0.413 15 M N -0.583 119.003 119.600 -0.024 0.000 2.132 15 M HA -0.194 4.287 4.480 0.001 0.000 0.263 15 M C 2.391 178.688 176.300 -0.004 0.000 1.065 15 M CA 1.798 57.087 55.300 -0.019 0.000 1.122 15 M CB -1.391 31.215 32.600 0.009 0.000 1.365 15 M HN 0.366 nan 8.290 nan 0.000 0.411 16 H N -0.182 118.858 119.070 -0.050 0.000 2.344 16 H HA -0.004 4.552 4.556 0.001 0.000 0.307 16 H C 0.538 175.845 175.328 -0.035 0.000 1.057 16 H CA 1.038 57.065 56.048 -0.035 0.000 1.373 16 H CB 0.335 30.088 29.762 -0.016 0.000 1.421 16 H HN 0.200 nan 8.280 nan 0.000 0.532 17 D N 0.333 120.825 120.400 0.153 0.000 2.340 17 D HA 0.045 4.685 4.640 0.001 0.000 0.220 17 D C 1.364 177.646 176.300 -0.030 0.000 1.039 17 D CA 0.223 54.297 54.000 0.123 0.000 0.866 17 D CB 1.116 42.018 40.800 0.171 0.000 0.913 17 D HN 0.234 nan 8.370 nan 0.000 0.523 18 V N -0.621 119.174 119.914 -0.199 0.000 3.261 18 V HA 0.009 4.130 4.120 0.001 0.000 0.212 18 V C 1.760 177.630 176.094 -0.373 0.000 1.381 18 V CA -0.107 61.867 62.300 -0.543 0.000 1.322 18 V CB 0.360 31.744 31.823 -0.732 0.000 1.188 18 V HN -0.061 nan 8.190 nan 0.000 0.520 19 I N 0.926 121.349 120.570 -0.245 0.000 2.141 19 I HA -0.066 4.105 4.170 0.001 0.000 0.236 19 I C 2.249 178.268 176.117 -0.162 0.000 1.071 19 I CA 1.823 63.014 61.300 -0.182 0.000 1.345 19 I CB -0.455 37.468 38.000 -0.128 0.000 1.066 19 I HN 0.175 nan 8.210 nan 0.000 0.406 20 K N 0.197 120.499 120.400 -0.164 0.000 2.288 20 K HA -0.165 4.155 4.320 0.001 0.000 0.201 20 K C 2.030 178.515 176.600 -0.192 0.000 1.048 20 K CA 0.646 56.824 56.287 -0.181 0.000 0.956 20 K CB -0.076 32.303 32.500 -0.202 0.000 0.746 20 K HN 0.232 nan 8.250 nan 0.000 0.461 21 K N 1.271 121.564 120.400 -0.179 0.000 2.097 21 K HA -0.103 4.217 4.320 0.001 0.000 0.206 21 K C 1.246 177.818 176.600 -0.047 0.000 1.049 21 K CA 1.087 57.318 56.287 -0.094 0.000 0.933 21 K CB 0.211 32.717 32.500 0.010 0.000 0.717 21 K HN -0.090 nan 8.250 nan 0.000 0.442 22 V N 3.552 123.419 119.914 -0.079 0.000 3.620 22 V HA -0.080 4.040 4.120 0.001 0.000 0.286 22 V C 1.119 177.120 176.094 -0.155 0.000 1.288 22 V CA 0.511 62.736 62.300 -0.125 0.000 1.178 22 V CB -0.907 30.802 31.823 -0.190 0.000 0.986 22 V HN 0.463 nan 8.190 nan 0.000 0.431 23 K N 0.811 121.127 120.400 -0.139 0.000 2.476 23 K HA -0.393 3.927 4.320 0.001 0.000 0.202 23 K C 0.493 176.985 176.600 -0.181 0.000 0.677 23 K CA 2.011 58.208 56.287 -0.150 0.000 0.906 23 K CB -0.842 31.587 32.500 -0.119 0.000 0.389 23 K HN 0.248 nan 8.250 nan 0.000 0.993 24 K N 1.107 121.416 120.400 -0.151 0.000 3.549 24 K HA -0.073 4.248 4.320 0.001 0.000 0.275 24 K C -1.044 175.425 176.600 -0.218 0.000 1.060 24 K CA 0.956 57.146 56.287 -0.161 0.000 0.812 24 K CB -1.134 31.264 32.500 -0.170 0.000 1.374 24 K HN 0.500 nan 8.250 nan 0.000 0.455 25 K N 0.671 120.964 120.400 -0.178 0.000 2.430 25 K HA 0.135 4.456 4.320 0.001 0.000 0.280 25 K C 1.513 178.000 176.600 -0.189 0.000 1.063 25 K CA 1.150 57.321 56.287 -0.193 0.000 1.071 25 K CB 0.145 32.572 32.500 -0.122 0.000 0.899 25 K HN 0.699 nan 8.250 nan 0.000 0.473 26 G N 2.865 111.500 108.800 -0.274 0.000 2.234 26 G HA2 -0.254 3.706 3.960 0.001 0.000 0.235 26 G HA3 -0.254 3.706 3.960 0.001 0.000 0.235 26 G C -0.127 174.644 174.900 -0.215 0.000 0.997 26 G CA -0.167 44.822 45.100 -0.183 0.000 0.623 26 G HN 0.563 nan 8.290 nan 0.000 0.514 27 E N -0.898 119.118 120.200 -0.306 0.000 2.212 27 E HA 0.611 4.962 4.350 0.001 0.000 0.270 27 E C -0.809 175.543 176.600 -0.414 0.000 0.956 27 E CA -0.884 55.395 56.400 -0.200 0.000 0.825 27 E CB 1.151 30.797 29.700 -0.091 0.000 1.167 27 E HN 0.320 nan 8.360 nan 0.000 0.400 28 W N 1.004 122.296 121.300 -0.013 0.000 2.781 28 W HA 0.444 5.105 4.660 0.001 0.000 0.345 28 W C -0.153 176.352 176.519 -0.024 0.000 1.085 28 W CA -0.623 56.709 57.345 -0.021 0.000 1.198 28 W CB 1.455 30.908 29.460 -0.012 0.000 1.423 28 W HN 0.134 nan 8.180 nan 0.000 0.532 29 K N 0.965 121.488 120.400 0.205 0.000 2.443 29 K HA 0.663 4.984 4.320 0.001 0.000 0.251 29 K C -1.373 175.257 176.600 0.050 0.000 0.972 29 K CA -1.210 55.123 56.287 0.077 0.000 0.833 29 K CB 2.493 34.975 32.500 -0.031 0.000 1.317 29 K HN 0.138 nan 8.250 nan 0.000 0.441 30 V N 2.340 122.236 119.914 -0.030 0.000 2.465 30 V HA 0.168 4.289 4.120 0.001 0.000 0.279 30 V C -0.453 175.524 176.094 -0.194 0.000 1.045 30 V CA -0.769 61.474 62.300 -0.094 0.000 0.938 30 V CB 1.081 32.823 31.823 -0.134 0.000 0.986 30 V HN 0.473 nan 8.190 nan 0.000 0.467 31 L N 7.428 128.569 121.223 -0.137 0.000 2.255 31 L HA 0.512 4.852 4.340 0.001 0.000 0.289 31 L C -0.269 176.489 176.870 -0.188 0.000 1.046 31 L CA 0.260 55.008 54.840 -0.153 0.000 0.816 31 L CB 1.212 43.221 42.059 -0.083 0.000 1.197 31 L HN 0.431 nan 8.230 nan 0.000 0.427 32 V N 6.331 126.058 119.914 -0.312 0.000 2.394 32 V HA 0.653 4.773 4.120 0.001 0.000 0.282 32 V C -0.087 175.951 176.094 -0.094 0.000 1.031 32 V CA -0.393 61.735 62.300 -0.285 0.000 0.881 32 V CB 1.530 32.942 31.823 -0.685 0.000 0.982 32 V HN 0.653 nan 8.190 nan 0.000 0.451 33 V N 1.443 121.354 119.914 -0.005 0.000 3.078 33 V HA 0.832 4.953 4.120 0.001 0.000 0.311 33 V C -0.568 175.578 176.094 0.087 0.000 1.138 33 V CA -0.869 61.465 62.300 0.055 0.000 1.007 33 V CB 2.106 33.949 31.823 0.033 0.000 1.045 33 V HN 0.772 nan 8.190 nan 0.000 0.432 34 D N 1.466 121.933 120.400 0.111 0.000 2.511 34 D HA 0.306 4.947 4.640 0.001 0.000 0.283 34 D C 1.092 177.442 176.300 0.082 0.000 1.198 34 D CA 0.014 54.078 54.000 0.107 0.000 1.097 34 D CB 0.355 41.231 40.800 0.127 0.000 1.160 34 D HN 0.539 nan 8.370 nan 0.000 0.589 35 Q N -0.716 119.131 119.800 0.080 0.000 1.990 35 Q HA -0.032 4.308 4.340 0.001 0.000 0.200 35 Q C 2.033 178.074 176.000 0.069 0.000 0.980 35 Q CA 1.500 57.345 55.803 0.069 0.000 0.832 35 Q CB -0.753 28.025 28.738 0.067 0.000 0.897 35 Q HN 0.594 nan 8.270 nan 0.000 0.427 36 L N -0.015 121.253 121.223 0.075 0.000 2.027 36 L HA -0.166 4.175 4.340 0.001 0.000 0.206 36 L C 2.276 179.182 176.870 0.061 0.000 1.074 36 L CA 1.788 56.672 54.840 0.074 0.000 0.745 36 L CB -0.551 41.557 42.059 0.080 0.000 0.898 36 L HN 0.477 nan 8.230 nan 0.000 0.433 37 S N -0.402 115.337 115.700 0.064 0.000 2.383 37 S HA -0.309 4.161 4.470 0.001 0.000 0.229 37 S C 1.954 176.574 174.600 0.033 0.000 1.030 37 S CA 1.566 59.795 58.200 0.048 0.000 1.002 37 S CB -0.646 62.596 63.200 0.070 0.000 0.829 37 S HN 0.484 nan 8.310 nan 0.000 0.467 38 M N 2.328 121.953 119.600 0.041 0.000 2.099 38 M HA 0.055 4.535 4.480 0.001 0.000 0.262 38 M C 2.172 178.493 176.300 0.035 0.000 1.067 38 M CA 1.386 56.706 55.300 0.033 0.000 1.124 38 M CB -0.558 32.065 32.600 0.037 0.000 1.353 38 M HN 0.137 nan 8.290 nan 0.000 0.410 39 R N -0.269 120.259 120.500 0.048 0.000 2.081 39 R HA -0.141 4.199 4.340 0.001 0.000 0.235 39 R C 2.374 178.709 176.300 0.057 0.000 1.131 39 R CA 1.973 58.109 56.100 0.060 0.000 0.960 39 R CB -1.371 28.975 30.300 0.077 0.000 0.856 39 R HN 0.570 nan 8.270 nan 0.000 0.436 40 M N 0.583 120.208 119.600 0.041 0.000 2.108 40 M HA -0.194 4.287 4.480 0.001 0.000 0.261 40 M C 1.918 178.220 176.300 0.003 0.000 1.066 40 M CA 1.539 56.846 55.300 0.012 0.000 1.107 40 M CB -0.073 32.509 32.600 -0.031 0.000 1.356 40 M HN 0.049 nan 8.290 nan 0.000 0.406 41 L N 0.143 121.368 121.223 0.003 0.000 1.976 41 L HA -0.154 4.187 4.340 0.001 0.000 0.209 41 L C 2.496 179.370 176.870 0.007 0.000 1.071 41 L CA 2.186 57.024 54.840 -0.004 0.000 0.746 41 L CB -0.998 41.058 42.059 -0.006 0.000 0.890 41 L HN 0.330 nan 8.230 nan 0.000 0.432 42 S N -1.404 114.306 115.700 0.017 0.000 2.402 42 S HA -0.244 4.226 4.470 0.001 0.000 0.233 42 S C 2.157 176.772 174.600 0.025 0.000 1.030 42 S CA 1.409 59.621 58.200 0.020 0.000 1.003 42 S CB -0.599 62.618 63.200 0.028 0.000 0.813 42 S HN 0.560 nan 8.310 nan 0.000 0.477 43 S N 0.516 116.239 115.700 0.038 0.000 2.382 43 S HA -0.134 4.336 4.470 0.001 0.000 0.228 43 S C 1.711 176.333 174.600 0.036 0.000 1.027 43 S CA 1.367 59.598 58.200 0.052 0.000 0.991 43 S CB -0.386 62.864 63.200 0.083 0.000 0.823 43 S HN 0.831 nan 8.310 nan 0.000 0.469 44 C N -0.760 118.554 119.300 0.024 0.000 3.722 44 C HA 0.689 5.149 4.460 0.001 0.000 0.279 44 C C -0.052 174.945 174.990 0.012 0.000 1.819 44 C CA -1.319 57.712 59.018 0.023 0.000 1.744 44 C CB -1.270 26.487 27.740 0.028 0.000 3.247 44 C HN 0.437 nan 8.230 nan 0.000 0.549 45 C N 2.110 121.413 119.300 0.006 0.000 2.535 45 C HA 0.503 4.963 4.460 0.001 0.000 0.319 45 C C -0.231 174.760 174.990 0.003 0.000 1.171 45 C CA -0.438 58.581 59.018 0.002 0.000 1.394 45 C CB 1.404 29.139 27.740 -0.008 0.000 1.990 45 C HN 0.503 nan 8.230 nan 0.000 0.466 46 K N 2.621 123.024 120.400 0.005 0.000 2.338 46 K HA 0.079 4.399 4.320 0.001 0.000 0.290 46 K C 0.924 177.527 176.600 0.005 0.000 1.069 46 K CA -0.206 56.084 56.287 0.005 0.000 0.941 46 K CB 0.566 33.071 32.500 0.008 0.000 1.023 46 K HN 0.599 nan 8.250 nan 0.000 0.477 47 M N 2.617 122.219 119.600 0.003 0.000 2.260 47 M HA -0.197 4.284 4.480 0.001 0.000 0.261 47 M C 1.453 177.759 176.300 0.010 0.000 1.066 47 M CA 1.974 57.276 55.300 0.004 0.000 1.082 47 M CB -0.275 32.325 32.600 0.001 0.000 1.388 47 M HN 0.645 nan 8.290 nan 0.000 0.419 48 T N 0.123 114.683 114.554 0.010 0.000 2.708 48 T HA -0.151 4.199 4.350 0.001 0.000 0.266 48 T C 1.408 176.124 174.700 0.027 0.000 1.037 48 T CA 1.688 63.798 62.100 0.017 0.000 1.146 48 T CB -0.489 68.387 68.868 0.014 0.000 0.865 48 T HN 0.415 nan 8.240 nan 0.000 0.435 49 D N 1.287 121.699 120.400 0.021 0.000 2.144 49 D HA -0.048 4.593 4.640 0.001 0.000 0.199 49 D C 2.195 178.508 176.300 0.023 0.000 0.984 49 D CA 0.871 54.884 54.000 0.021 0.000 0.834 49 D CB -0.387 40.421 40.800 0.013 0.000 0.955 49 D HN 0.558 nan 8.370 nan 0.000 0.465 50 I N -2.124 118.456 120.570 0.017 0.000 2.286 50 I HA -0.135 4.036 4.170 0.001 0.000 0.245 50 I C 1.870 178.021 176.117 0.057 0.000 1.104 50 I CA 0.877 62.186 61.300 0.014 0.000 1.397 50 I CB -0.323 37.675 38.000 -0.005 0.000 1.072 50 I HN -0.206 nan 8.210 nan 0.000 0.417 51 M N 1.179 120.822 119.600 0.072 0.000 2.629 51 M HA -0.063 4.418 4.480 0.001 0.000 0.257 51 M C 1.731 178.166 176.300 0.226 0.000 1.071 51 M CA 1.142 56.518 55.300 0.128 0.000 1.077 51 M CB -1.418 31.219 32.600 0.062 0.000 1.423 51 M HN 0.366 nan 8.290 nan 0.000 0.508 52 T N -0.332 114.315 114.554 0.155 0.000 3.039 52 T HA 0.029 4.380 4.350 0.001 0.000 0.250 52 T C 1.254 176.001 174.700 0.078 0.000 1.052 52 T CA 0.546 62.741 62.100 0.159 0.000 1.125 52 T CB 0.263 69.180 68.868 0.082 0.000 0.908 52 T HN 0.269 nan 8.240 nan 0.000 0.473 53 E N 1.220 121.431 120.200 0.019 0.000 2.365 53 E HA 0.272 4.622 4.350 0.001 0.000 0.188 53 E C 0.999 177.498 176.600 -0.168 0.000 1.102 53 E CA -0.034 56.317 56.400 -0.081 0.000 0.927 53 E CB -0.271 29.389 29.700 -0.068 0.000 1.073 53 E HN 0.549 nan 8.360 nan 0.000 0.467 54 G N 1.474 110.150 108.800 -0.206 0.000 2.270 54 G HA2 -0.174 3.786 3.960 0.001 0.000 0.224 54 G HA3 -0.174 3.786 3.960 0.001 0.000 0.224 54 G C -0.182 174.773 174.900 0.092 0.000 1.079 54 G CA -0.504 44.334 45.100 -0.437 0.000 0.807 54 G HN 0.143 nan 8.290 nan 0.000 0.492 55 I N 0.987 121.768 120.570 0.352 0.000 2.439 55 I HA 0.382 4.553 4.170 0.001 0.000 0.283 55 I C 1.178 177.462 176.117 0.278 0.000 1.023 55 I CA 0.101 61.553 61.300 0.253 0.000 1.100 55 I CB 0.908 38.962 38.000 0.089 0.000 1.238 55 I HN 0.157 nan 8.210 nan 0.000 0.445 56 T N 6.203 120.885 114.554 0.213 0.000 3.009 56 T HA 0.255 4.606 4.350 0.001 0.000 0.258 56 T C 0.709 175.395 174.700 -0.023 0.000 1.063 56 T CA 0.982 63.080 62.100 -0.002 0.000 1.139 56 T CB 0.342 69.174 68.868 -0.061 0.000 0.890 56 T HN 0.315 nan 8.240 nan 0.000 0.471 57 I N 1.403 121.981 120.570 0.012 0.000 2.865 57 I HA 0.518 4.688 4.170 0.001 0.000 0.302 57 I C -1.120 174.994 176.117 -0.004 0.000 1.140 57 I CA -1.161 60.139 61.300 0.001 0.000 1.021 57 I CB 2.144 40.153 38.000 0.015 0.000 1.233 57 I HN -0.186 nan 8.210 nan 0.000 0.427 58 V N 4.186 124.096 119.914 -0.007 0.000 2.577 58 V HA 0.556 4.676 4.120 0.001 0.000 0.303 58 V C -0.448 175.643 176.094 -0.004 0.000 1.042 58 V CA -0.517 61.775 62.300 -0.015 0.000 0.872 58 V CB 2.122 33.938 31.823 -0.012 0.000 0.998 58 V HN 0.919 nan 8.190 nan 0.000 0.423 59 E N 1.922 122.119 120.200 -0.005 0.000 2.413 59 E HA 0.490 4.841 4.350 0.001 0.000 0.277 59 E C -1.706 174.907 176.600 0.022 0.000 0.958 59 E CA -0.974 55.435 56.400 0.016 0.000 0.779 59 E CB 2.386 32.109 29.700 0.038 0.000 1.278 59 E HN 0.422 nan 8.360 nan 0.000 0.456 60 D N 1.414 121.837 120.400 0.038 0.000 2.308 60 D HA 0.112 4.752 4.640 0.001 0.000 0.251 60 D C 0.661 177.006 176.300 0.076 0.000 1.127 60 D CA -0.342 53.690 54.000 0.052 0.000 0.876 60 D CB 1.340 42.170 40.800 0.050 0.000 1.176 60 D HN 0.663 nan 8.370 nan 0.000 0.446 61 I N 3.610 124.242 120.570 0.102 0.000 2.567 61 I HA -0.222 3.949 4.170 0.001 0.000 0.257 61 I C 0.757 176.952 176.117 0.131 0.000 1.184 61 I CA 0.759 62.151 61.300 0.153 0.000 1.451 61 I CB 0.181 38.318 38.000 0.227 0.000 1.089 61 I HN 0.264 nan 8.210 nan 0.000 0.441 62 N N 1.259 120.021 118.700 0.102 0.000 2.336 62 N HA 0.070 4.810 4.740 0.001 0.000 0.189 62 N C -0.141 175.407 175.510 0.064 0.000 1.113 62 N CA 0.372 53.473 53.050 0.085 0.000 0.858 62 N CB 0.248 38.782 38.487 0.078 0.000 0.970 62 N HN 0.430 nan 8.380 nan 0.000 0.471 63 K N 0.452 120.887 120.400 0.059 0.000 2.211 63 K HA 0.380 4.700 4.320 0.001 0.000 0.237 63 K C 0.198 176.819 176.600 0.034 0.000 1.002 63 K CA -0.738 55.574 56.287 0.042 0.000 0.885 63 K CB 1.821 34.342 32.500 0.036 0.000 1.136 63 K HN -0.163 nan 8.250 nan 0.000 0.448 64 R N 1.394 121.906 120.500 0.020 0.000 2.570 64 R HA 0.084 4.425 4.340 0.001 0.000 0.277 64 R C -0.244 176.056 176.300 -0.000 0.000 1.039 64 R CA 0.576 56.680 56.100 0.006 0.000 1.065 64 R CB 0.394 30.694 30.300 -0.001 0.000 0.964 64 R HN 0.376 nan 8.270 nan 0.000 0.428 65 R N 2.019 122.507 120.500 -0.020 0.000 2.502 65 R HA 0.123 4.463 4.340 0.001 0.000 0.298 65 R C -0.977 175.270 176.300 -0.087 0.000 1.018 65 R CA -0.767 55.310 56.100 -0.039 0.000 0.899 65 R CB 1.801 32.088 30.300 -0.022 0.000 1.181 65 R HN 0.442 nan 8.270 nan 0.000 0.444 66 E N 3.662 123.819 120.200 -0.073 0.000 2.366 66 E HA 0.092 4.443 4.350 0.001 0.000 0.266 66 E C -2.128 174.389 176.600 -0.139 0.000 1.015 66 E CA -1.929 54.420 56.400 -0.086 0.000 0.906 66 E CB 0.305 29.972 29.700 -0.055 0.000 0.979 66 E HN 0.251 nan 8.360 nan 0.000 0.443 67 P HA -0.012 nan 4.420 nan 0.000 0.264 67 P C -0.357 176.840 177.300 -0.172 0.000 1.183 67 P CA 0.410 63.369 63.100 -0.234 0.000 0.763 67 P CB 0.364 31.966 31.700 -0.164 0.000 0.807 68 L N 5.953 127.048 121.223 -0.214 0.000 2.556 68 L HA 0.262 4.602 4.340 0.001 0.000 0.243 68 L C -1.750 175.139 176.870 0.032 0.000 1.331 68 L CA -1.462 53.352 54.840 -0.044 0.000 0.927 68 L CB 1.621 43.711 42.059 0.052 0.000 1.219 68 L HN 0.247 nan 8.230 nan 0.000 0.490 69 P HA -0.083 nan 4.420 nan 0.000 0.230 69 P C 1.247 178.610 177.300 0.104 0.000 1.158 69 P CA 0.696 63.839 63.100 0.070 0.000 0.769 69 P CB 0.243 31.966 31.700 0.038 0.000 0.807 70 S N -1.914 113.841 115.700 0.092 0.000 2.671 70 S HA 0.190 4.661 4.470 0.001 0.000 0.220 70 S C 0.394 175.068 174.600 0.122 0.000 0.951 70 S CA -0.084 58.172 58.200 0.094 0.000 0.932 70 S CB -0.705 62.536 63.200 0.069 0.000 0.777 70 S HN 0.020 nan 8.310 nan 0.000 0.508 71 L N 1.083 122.405 121.223 0.166 0.000 2.422 71 L HA 0.508 4.849 4.340 0.001 0.000 0.264 71 L C -0.481 176.525 176.870 0.226 0.000 0.984 71 L CA -0.671 54.280 54.840 0.186 0.000 0.819 71 L CB 2.389 44.563 42.059 0.192 0.000 1.330 71 L HN 0.096 nan 8.230 nan 0.000 0.410 72 E N 1.599 121.904 120.200 0.174 0.000 2.331 72 E HA 0.531 4.882 4.350 0.001 0.000 0.272 72 E C -0.578 176.073 176.600 0.085 0.000 1.036 72 E CA -0.479 56.031 56.400 0.183 0.000 0.864 72 E CB 1.823 31.634 29.700 0.186 0.000 1.035 72 E HN 0.576 nan 8.360 nan 0.000 0.408 73 A N 2.848 125.696 122.820 0.047 0.000 2.303 73 A HA 0.381 4.702 4.320 0.001 0.000 0.320 73 A C -0.474 177.078 177.584 -0.053 0.000 1.192 73 A CA -0.698 51.178 52.037 -0.269 0.000 0.821 73 A CB 0.916 19.319 19.000 -0.996 0.000 1.188 73 A HN 0.398 nan 8.150 nan 0.000 0.492 74 V N 3.933 123.779 119.914 -0.112 0.000 2.353 74 V HA 0.138 4.259 4.120 0.001 0.000 0.264 74 V C -0.816 175.271 176.094 -0.012 0.000 1.049 74 V CA -0.057 62.274 62.300 0.052 0.000 0.896 74 V CB -0.587 31.231 31.823 -0.008 0.000 1.025 74 V HN 0.714 nan 8.190 nan 0.000 0.475 75 Y N 5.190 125.559 120.300 0.115 0.000 2.336 75 Y HA 0.504 5.054 4.550 0.001 0.000 0.335 75 Y C 0.043 176.042 175.900 0.164 0.000 1.046 75 Y CA -0.531 57.624 58.100 0.091 0.000 1.198 75 Y CB 1.343 39.835 38.460 0.053 0.000 1.182 75 Y HN 0.506 nan 8.280 nan 0.000 0.502 76 L N 7.576 128.933 121.223 0.223 0.000 2.442 76 L HA 0.615 4.955 4.340 0.001 0.000 0.261 76 L C -0.953 176.040 176.870 0.204 0.000 1.000 76 L CA -0.615 54.346 54.840 0.201 0.000 0.882 76 L CB 0.165 42.260 42.059 0.061 0.000 1.207 76 L HN 0.556 nan 8.230 nan 0.000 0.443 77 I N 0.127 120.867 120.570 0.284 0.000 3.191 77 I HA 0.701 4.872 4.170 0.001 0.000 0.313 77 I C -0.142 176.207 176.117 0.386 0.000 1.193 77 I CA -0.735 60.746 61.300 0.300 0.000 0.968 77 I CB 2.325 40.525 38.000 0.334 0.000 1.262 77 I HN 0.448 nan 8.210 nan 0.000 0.456 78 T N -1.017 113.694 114.554 0.262 0.000 2.913 78 T HA 0.413 4.763 4.350 0.001 0.000 0.297 78 T C -2.204 172.539 174.700 0.072 0.000 1.029 78 T CA -1.583 60.622 62.100 0.175 0.000 1.104 78 T CB 0.708 69.632 68.868 0.094 0.000 0.964 78 T HN 0.535 nan 8.240 nan 0.000 0.532 79 P HA 0.096 nan 4.420 nan 0.000 0.279 79 P C 0.257 177.372 177.300 -0.308 0.000 1.451 79 P CA -0.183 62.493 63.100 -0.706 0.000 0.783 79 P CB -0.700 30.550 31.700 -0.750 0.000 1.490 80 S N -1.312 114.313 115.700 -0.125 0.000 2.584 80 S HA 0.056 4.526 4.470 0.001 0.000 0.270 80 S C 1.450 175.980 174.600 -0.117 0.000 1.346 80 S CA -0.526 57.624 58.200 -0.082 0.000 1.018 80 S CB 1.177 64.368 63.200 -0.015 0.000 0.899 80 S HN 0.180 nan 8.310 nan 0.000 0.542 81 E N 1.382 121.488 120.200 -0.156 0.000 2.085 81 E HA -0.231 4.120 4.350 0.001 0.000 0.194 81 E C 1.981 178.395 176.600 -0.310 0.000 0.994 81 E CA 1.422 57.626 56.400 -0.327 0.000 0.801 81 E CB -0.157 29.371 29.700 -0.287 0.000 0.743 81 E HN 0.798 nan 8.360 nan 0.000 0.453 82 K N 0.033 120.374 120.400 -0.097 0.000 2.009 82 K HA -0.150 4.170 4.320 0.001 0.000 0.210 82 K C 2.302 178.946 176.600 0.073 0.000 1.049 82 K CA 1.859 58.157 56.287 0.019 0.000 0.929 82 K CB -0.120 32.407 32.500 0.046 0.000 0.714 82 K HN 0.001 nan 8.250 nan 0.000 0.440 83 S N 0.373 116.119 115.700 0.077 0.000 2.356 83 S HA -0.117 4.354 4.470 0.001 0.000 0.223 83 S C 1.985 176.691 174.600 0.177 0.000 1.032 83 S CA 1.377 59.666 58.200 0.149 0.000 1.005 83 S CB -0.212 63.095 63.200 0.179 0.000 0.867 83 S HN 0.161 nan 8.310 nan 0.000 0.449 84 V N 1.584 121.576 119.914 0.130 0.000 2.332 84 V HA -0.240 3.881 4.120 0.001 0.000 0.248 84 V C 2.027 178.245 176.094 0.207 0.000 1.055 84 V CA 1.842 64.244 62.300 0.169 0.000 1.038 84 V CB -0.841 31.029 31.823 0.078 0.000 0.651 84 V HN 0.607 nan 8.190 nan 0.000 0.450 85 H N -0.565 118.557 119.070 0.087 0.000 2.357 85 H HA -0.103 4.454 4.556 0.001 0.000 0.301 85 H C 2.507 177.880 175.328 0.075 0.000 1.082 85 H CA 1.201 57.290 56.048 0.068 0.000 1.342 85 H CB 0.097 29.890 29.762 0.053 0.000 1.389 85 H HN 0.376 nan 8.280 nan 0.000 0.511 86 S N 0.757 116.591 115.700 0.222 0.000 2.442 86 S HA -0.118 4.353 4.470 0.001 0.000 0.236 86 S C 2.011 176.713 174.600 0.170 0.000 1.007 86 S CA 0.644 58.946 58.200 0.169 0.000 0.965 86 S CB -0.128 63.172 63.200 0.166 0.000 0.773 86 S HN 0.205 nan 8.310 nan 0.000 0.504 87 L N 2.008 123.333 121.223 0.171 0.000 2.007 87 L HA 0.118 4.459 4.340 0.001 0.000 0.205 87 L C 1.903 178.862 176.870 0.148 0.000 1.073 87 L CA 1.598 56.500 54.840 0.103 0.000 0.744 87 L CB -0.689 41.361 42.059 -0.015 0.000 0.898 87 L HN 0.223 nan 8.230 nan 0.000 0.435 88 I N -0.010 120.650 120.570 0.149 0.000 2.264 88 I HA -0.333 3.837 4.170 0.001 0.000 0.248 88 I C 2.601 178.796 176.117 0.130 0.000 1.111 88 I CA 1.557 62.947 61.300 0.151 0.000 1.382 88 I CB -0.595 37.471 38.000 0.111 0.000 1.060 88 I HN 0.535 nan 8.210 nan 0.000 0.418 89 S N 0.204 115.955 115.700 0.085 0.000 2.399 89 S HA -0.215 4.256 4.470 0.001 0.000 0.231 89 S C 1.523 176.115 174.600 -0.014 0.000 1.022 89 S CA 1.400 59.621 58.200 0.035 0.000 0.983 89 S CB -0.509 62.710 63.200 0.031 0.000 0.803 89 S HN 0.364 nan 8.310 nan 0.000 0.480 90 D N 0.807 121.176 120.400 -0.053 0.000 2.384 90 D HA 0.051 4.692 4.640 0.001 0.000 0.222 90 D C -0.219 175.698 176.300 -0.637 0.000 0.976 90 D CA 0.745 54.562 54.000 -0.306 0.000 0.915 90 D CB -0.268 40.364 40.800 -0.279 0.000 0.896 90 D HN 0.589 nan 8.370 nan 0.000 0.523 91 F N -0.543 119.433 119.950 0.044 0.000 2.576 91 F HA 0.303 4.831 4.527 0.001 0.000 0.365 91 F C 1.414 177.218 175.800 0.007 0.000 1.506 91 F CA -0.586 57.430 58.000 0.027 0.000 1.113 91 F CB 0.692 39.706 39.000 0.023 0.000 1.293 91 F HN -0.321 nan 8.300 nan 0.000 0.540 92 K N -0.258 120.197 120.400 0.092 0.000 2.029 92 K HA 0.051 4.371 4.320 0.001 0.000 0.205 92 K C -0.191 176.440 176.600 0.052 0.000 1.042 92 K CA 0.808 57.130 56.287 0.057 0.000 0.949 92 K CB 0.166 32.677 32.500 0.018 0.000 0.740 92 K HN 0.077 nan 8.250 nan 0.000 0.442 93 D N 0.356 120.778 120.400 0.036 0.000 2.344 93 D HA 0.155 4.795 4.640 0.001 0.000 0.239 93 D C -2.018 174.310 176.300 0.048 0.000 1.064 93 D CA -2.055 51.965 54.000 0.032 0.000 0.829 93 D CB 1.624 42.431 40.800 0.011 0.000 1.129 93 D HN -0.198 nan 8.370 nan 0.000 0.506 94 P HA -0.159 nan 4.420 nan 0.000 0.218 94 P C -1.299 176.033 177.300 0.053 0.000 1.154 94 P CA 1.436 64.581 63.100 0.074 0.000 0.872 94 P CB -0.466 31.266 31.700 0.053 0.000 0.790 95 P HA -0.119 nan 4.420 nan 0.000 0.214 95 P C 1.233 178.535 177.300 0.002 0.000 1.163 95 P CA 1.956 65.066 63.100 0.016 0.000 0.883 95 P CB -0.860 30.845 31.700 0.007 0.000 0.788 96 T N -3.480 111.067 114.554 -0.011 0.000 3.235 96 T HA 0.510 4.860 4.350 0.001 0.000 0.251 96 T C 0.723 175.375 174.700 -0.080 0.000 1.060 96 T CA -0.386 61.689 62.100 -0.042 0.000 0.949 96 T CB -0.884 67.957 68.868 -0.044 0.000 1.020 96 T HN 0.105 nan 8.240 nan 0.000 0.564 97 A N 1.967 124.758 122.820 -0.049 0.000 2.565 97 A HA 0.243 4.564 4.320 0.001 0.000 0.237 97 A C 1.596 179.037 177.584 -0.239 0.000 1.053 97 A CA -0.375 51.594 52.037 -0.113 0.000 0.755 97 A CB 0.393 19.463 19.000 0.116 0.000 0.980 97 A HN 0.235 nan 8.150 nan 0.000 0.506 98 K N 0.928 121.038 120.400 -0.483 0.000 2.057 98 K HA -0.080 4.240 4.320 0.001 0.000 0.207 98 K C -0.225 175.894 176.600 -0.802 0.000 1.049 98 K CA 1.652 57.527 56.287 -0.687 0.000 0.931 98 K CB -0.349 31.658 32.500 -0.822 0.000 0.714 98 K HN 0.777 nan 8.250 nan 0.000 0.440 99 Y N -1.434 118.855 120.300 -0.018 0.000 2.669 99 Y HA 0.351 4.901 4.550 0.001 0.000 0.335 99 Y C 1.469 177.553 175.900 0.307 0.000 1.116 99 Y CA -1.106 57.093 58.100 0.166 0.000 1.081 99 Y CB 0.986 39.586 38.460 0.233 0.000 1.297 99 Y HN -0.344 nan 8.280 nan 0.000 0.484 100 R N 0.621 121.370 120.500 0.415 0.000 2.051 100 R HA 0.353 4.694 4.340 0.001 0.000 0.225 100 R C 0.125 176.591 176.300 0.276 0.000 1.155 100 R CA 1.286 57.562 56.100 0.292 0.000 0.945 100 R CB -0.300 30.118 30.300 0.197 0.000 0.840 100 R HN 0.795 nan 8.270 nan 0.000 0.432 101 A N -0.242 122.728 122.820 0.250 0.000 2.389 101 A HA 0.773 5.093 4.320 0.001 0.000 0.293 101 A C -1.448 176.263 177.584 0.211 0.000 1.186 101 A CA -0.270 51.847 52.037 0.133 0.000 0.828 101 A CB 1.704 20.754 19.000 0.083 0.000 1.369 101 A HN 0.442 nan 8.150 nan 0.000 0.446 102 A N -0.017 122.838 122.820 0.058 0.000 2.455 102 A HA 0.686 5.007 4.320 0.001 0.000 0.300 102 A C -1.298 176.281 177.584 -0.007 0.000 1.040 102 A CA -0.479 51.660 52.037 0.170 0.000 0.697 102 A CB 0.881 19.939 19.000 0.097 0.000 1.265 102 A HN 0.825 nan 8.150 nan 0.000 0.407 103 H N 2.158 121.300 119.070 0.120 0.000 2.736 103 H HA 0.348 4.905 4.556 0.001 0.000 0.271 103 H C -0.832 174.533 175.328 0.061 0.000 1.184 103 H CA -0.359 55.718 56.048 0.048 0.000 1.378 103 H CB 1.213 31.064 29.762 0.148 0.000 1.428 103 H HN 0.383 nan 8.280 nan 0.000 0.500 104 V N 4.156 124.008 119.914 -0.103 0.000 2.583 104 V HA 0.132 4.253 4.120 0.001 0.000 0.287 104 V C -0.119 175.715 176.094 -0.434 0.000 1.051 104 V CA 0.078 62.267 62.300 -0.184 0.000 1.010 104 V CB 0.427 32.001 31.823 -0.415 0.000 0.988 104 V HN 0.475 nan 8.190 nan 0.000 0.478 105 F N 4.374 124.234 119.950 -0.149 0.000 2.553 105 F HA 0.531 5.059 4.527 0.001 0.000 0.335 105 F C -0.136 175.639 175.800 -0.042 0.000 1.148 105 F CA -0.416 57.534 58.000 -0.084 0.000 0.963 105 F CB 1.230 40.240 39.000 0.016 0.000 1.217 105 F HN 0.300 nan 8.300 nan 0.000 0.441 106 F N 1.328 121.401 119.950 0.204 0.000 2.384 106 F HA 0.187 4.715 4.527 0.001 0.000 0.338 106 F C 1.753 177.645 175.800 0.155 0.000 1.103 106 F CA -0.472 57.622 58.000 0.157 0.000 1.157 106 F CB 1.757 40.822 39.000 0.109 0.000 1.167 106 F HN 0.570 nan 8.300 nan 0.000 0.529 107 T N -2.328 112.437 114.554 0.352 0.000 2.995 107 T HA -0.034 4.316 4.350 0.001 0.000 0.269 107 T C 0.040 174.850 174.700 0.183 0.000 1.091 107 T CA 0.853 63.076 62.100 0.205 0.000 1.128 107 T CB -0.343 68.608 68.868 0.140 0.000 0.891 107 T HN 0.725 nan 8.240 nan 0.000 0.492 108 D N -0.466 120.050 120.400 0.193 0.000 2.768 108 D HA 0.200 4.840 4.640 0.001 0.000 0.327 108 D C -1.346 175.033 176.300 0.131 0.000 1.302 108 D CA -0.802 53.307 54.000 0.182 0.000 0.897 108 D CB 1.119 42.014 40.800 0.157 0.000 1.420 108 D HN 0.018 nan 8.370 nan 0.000 0.494 109 S N -0.165 115.602 115.700 0.111 0.000 2.552 109 S HA 0.135 4.605 4.470 0.001 0.000 0.289 109 S C 0.173 174.728 174.600 -0.076 0.000 1.304 109 S CA -0.459 57.739 58.200 -0.005 0.000 1.063 109 S CB 0.206 63.350 63.200 -0.094 0.000 0.848 109 S HN 0.533 nan 8.310 nan 0.000 0.499 110 C N 6.163 125.396 119.300 -0.112 0.000 2.307 110 C HA 0.528 4.989 4.460 0.001 0.000 0.340 110 C C -2.411 172.513 174.990 -0.111 0.000 1.275 110 C CA -2.335 56.573 59.018 -0.184 0.000 1.811 110 C CB -0.415 27.246 27.740 -0.132 0.000 2.372 110 C HN 0.606 nan 8.230 nan 0.000 0.531 111 P HA 0.086 nan 4.420 nan 0.000 0.264 111 P C 0.393 177.708 177.300 0.024 0.000 1.183 111 P CA 0.454 63.528 63.100 -0.042 0.000 0.763 111 P CB 0.597 32.271 31.700 -0.043 0.000 0.807 112 D N 2.153 122.564 120.400 0.018 0.000 2.123 112 D HA -0.175 4.466 4.640 0.001 0.000 0.196 112 D C 1.871 178.246 176.300 0.126 0.000 0.992 112 D CA 1.856 55.904 54.000 0.080 0.000 0.833 112 D CB -0.504 40.316 40.800 0.033 0.000 0.954 112 D HN 0.388 nan 8.370 nan 0.000 0.455 113 A N 0.855 123.716 122.820 0.069 0.000 1.851 113 A HA -0.192 4.128 4.320 0.001 0.000 0.216 113 A C 2.238 179.868 177.584 0.076 0.000 1.195 113 A CA 1.359 53.433 52.037 0.061 0.000 0.622 113 A CB -0.853 18.169 19.000 0.035 0.000 0.831 113 A HN 0.151 nan 8.150 nan 0.000 0.444 114 L N -1.927 119.333 121.223 0.063 0.000 2.046 114 L HA -0.092 4.248 4.340 0.001 0.000 0.208 114 L C 2.330 179.265 176.870 0.108 0.000 1.077 114 L CA 1.889 56.764 54.840 0.058 0.000 0.747 114 L CB -1.085 40.964 42.059 -0.016 0.000 0.896 114 L HN 0.506 nan 8.230 nan 0.000 0.432 115 F N 0.898 120.849 119.950 0.002 0.000 2.069 115 F HA -0.258 4.269 4.527 0.001 0.000 0.298 115 F C 2.419 178.238 175.800 0.033 0.000 1.113 115 F CA 1.655 59.674 58.000 0.032 0.000 1.214 115 F CB -0.351 38.661 39.000 0.020 0.000 0.978 115 F HN 0.177 nan 8.300 nan 0.000 0.474 116 N N 0.672 119.427 118.700 0.092 0.000 2.104 116 N HA -0.253 4.488 4.740 0.001 0.000 0.190 116 N C 1.865 177.326 175.510 -0.081 0.000 1.024 116 N CA 1.636 54.673 53.050 -0.020 0.000 0.853 116 N CB -0.766 37.764 38.487 0.071 0.000 1.008 116 N HN 0.561 nan 8.380 nan 0.000 0.424 117 E N 0.086 120.275 120.200 -0.020 0.000 2.333 117 E HA -0.137 4.214 4.350 0.001 0.000 0.198 117 E C 1.711 178.288 176.600 -0.040 0.000 1.007 117 E CA 0.359 56.758 56.400 -0.002 0.000 0.845 117 E CB 0.056 29.798 29.700 0.070 0.000 0.766 117 E HN 0.151 nan 8.360 nan 0.000 0.507 118 L N -0.388 120.764 121.223 -0.118 0.000 2.145 118 L HA -0.052 4.289 4.340 0.001 0.000 0.201 118 L C 2.109 178.848 176.870 -0.218 0.000 1.075 118 L CA 0.926 55.676 54.840 -0.148 0.000 0.773 118 L CB -0.185 41.769 42.059 -0.176 0.000 0.936 118 L HN -0.019 nan 8.230 nan 0.000 0.451 119 V N 0.112 119.820 119.914 -0.343 0.000 2.469 119 V HA -0.317 3.803 4.120 0.001 0.000 0.251 119 V C 2.563 178.564 176.094 -0.154 0.000 1.064 119 V CA 2.150 64.282 62.300 -0.280 0.000 1.066 119 V CB -0.951 30.695 31.823 -0.295 0.000 0.667 119 V HN 0.497 nan 8.190 nan 0.000 0.461 120 K N 0.952 121.281 120.400 -0.118 0.000 2.228 120 K HA -0.039 4.282 4.320 0.001 0.000 0.202 120 K C 1.392 177.957 176.600 -0.057 0.000 1.051 120 K CA 0.704 56.948 56.287 -0.071 0.000 0.960 120 K CB 0.007 32.477 32.500 -0.049 0.000 0.743 120 K HN 0.640 nan 8.250 nan 0.000 0.458 121 S N 0.190 115.854 115.700 -0.060 0.000 2.589 121 S HA 0.094 4.565 4.470 0.001 0.000 0.265 121 S C 0.979 175.554 174.600 -0.042 0.000 1.342 121 S CA -0.674 57.506 58.200 -0.035 0.000 1.005 121 S CB 1.065 64.255 63.200 -0.017 0.000 0.909 121 S HN 0.170 nan 8.310 nan 0.000 0.555 122 R N 1.234 121.727 120.500 -0.011 0.000 2.115 122 R HA 0.064 4.404 4.340 0.001 0.000 0.226 122 R C 2.548 178.805 176.300 -0.072 0.000 1.100 122 R CA 1.292 57.381 56.100 -0.018 0.000 0.980 122 R CB -1.962 28.357 30.300 0.032 0.000 0.875 122 R HN 0.854 nan 8.270 nan 0.000 0.445 123 A N 1.602 124.383 122.820 -0.066 0.000 1.986 123 A HA -0.128 4.192 4.320 0.001 0.000 0.220 123 A C 2.360 179.757 177.584 -0.312 0.000 1.171 123 A CA 1.805 53.677 52.037 -0.274 0.000 0.640 123 A CB -0.525 18.413 19.000 -0.104 0.000 0.811 123 A HN 0.325 nan 8.150 nan 0.000 0.451 124 A N -0.408 122.293 122.820 -0.197 0.000 2.024 124 A HA -0.149 4.171 4.320 0.001 0.000 0.220 124 A C 1.837 179.310 177.584 -0.185 0.000 1.164 124 A CA 1.765 53.687 52.037 -0.191 0.000 0.643 124 A CB -0.258 18.644 19.000 -0.162 0.000 0.806 124 A HN 0.360 nan 8.150 nan 0.000 0.451 125 K N -0.293 120.003 120.400 -0.173 0.000 2.459 125 K HA 0.060 4.380 4.320 0.001 0.000 0.193 125 K C 1.080 177.578 176.600 -0.171 0.000 1.030 125 K CA 1.156 57.358 56.287 -0.142 0.000 1.026 125 K CB -0.149 32.291 32.500 -0.101 0.000 0.809 125 K HN 0.649 nan 8.250 nan 0.000 0.504 126 V N -2.194 117.565 119.914 -0.260 0.000 3.078 126 V HA 0.417 4.537 4.120 0.001 0.000 0.344 126 V C 0.149 176.058 176.094 -0.308 0.000 1.409 126 V CA -0.582 61.551 62.300 -0.279 0.000 1.146 126 V CB -0.378 31.227 31.823 -0.362 0.000 1.126 126 V HN -0.059 nan 8.190 nan 0.000 0.513 127 I N 1.435 121.833 120.570 -0.287 0.000 2.312 127 I HA 0.424 4.594 4.170 0.001 0.000 0.290 127 I C 1.066 177.012 176.117 -0.285 0.000 1.008 127 I CA -0.254 60.869 61.300 -0.294 0.000 1.226 127 I CB 1.787 39.622 38.000 -0.275 0.000 1.371 127 I HN 0.095 nan 8.210 nan 0.000 0.468 128 K N 2.671 122.831 120.400 -0.401 0.000 2.400 128 K HA 0.083 4.404 4.320 0.001 0.000 0.194 128 K C 0.419 176.831 176.600 -0.313 0.000 1.033 128 K CA 0.528 56.589 56.287 -0.376 0.000 1.021 128 K CB 0.349 32.549 32.500 -0.500 0.000 0.808 128 K HN 0.604 nan 8.250 nan 0.000 0.505 129 T N 0.426 114.776 114.554 -0.341 0.000 3.579 129 T HA 0.189 4.539 4.350 0.001 0.000 0.360 129 T C -2.330 172.166 174.700 -0.339 0.000 1.285 129 T CA -0.691 61.249 62.100 -0.267 0.000 1.127 129 T CB 0.927 69.678 68.868 -0.195 0.000 1.244 129 T HN -0.081 nan 8.240 nan 0.000 0.476 130 L N 5.658 126.719 121.223 -0.270 0.000 2.318 130 L HA 0.718 5.059 4.340 0.001 0.000 0.277 130 L C -0.962 175.767 176.870 -0.235 0.000 1.008 130 L CA -0.090 54.589 54.840 -0.268 0.000 0.846 130 L CB 0.861 42.853 42.059 -0.111 0.000 1.220 130 L HN 0.867 nan 8.230 nan 0.000 0.423 131 T N 3.813 118.152 114.554 -0.358 0.000 2.937 131 T HA 0.357 4.707 4.350 0.001 0.000 0.297 131 T C -0.492 174.196 174.700 -0.019 0.000 0.991 131 T CA -0.607 61.377 62.100 -0.193 0.000 0.990 131 T CB 1.774 70.496 68.868 -0.244 0.000 0.991 131 T HN 0.464 nan 8.240 nan 0.000 0.440 132 E N 1.811 122.072 120.200 0.101 0.000 2.259 132 E HA 0.220 4.570 4.350 0.001 0.000 0.281 132 E C 0.402 177.128 176.600 0.211 0.000 1.037 132 E CA -0.407 56.116 56.400 0.205 0.000 0.854 132 E CB 1.147 30.954 29.700 0.177 0.000 1.051 132 E HN 0.378 nan 8.360 nan 0.000 0.409 133 I N 2.995 123.716 120.570 0.250 0.000 3.883 133 I HA -0.009 4.162 4.170 0.001 0.000 0.326 133 I C -0.323 175.895 176.117 0.167 0.000 1.283 133 I CA 0.047 61.477 61.300 0.217 0.000 1.161 133 I CB -0.304 37.825 38.000 0.217 0.000 1.012 133 I HN 0.461 nan 8.210 nan 0.000 0.421 134 N N 1.878 120.694 118.700 0.194 0.000 2.699 134 N HA -0.220 4.521 4.740 0.001 0.000 0.256 134 N C -0.739 174.837 175.510 0.110 0.000 0.993 134 N CA 0.985 54.149 53.050 0.190 0.000 0.759 134 N CB -1.261 37.370 38.487 0.239 0.000 0.906 134 N HN 0.386 nan 8.380 nan 0.000 0.541 135 I N -0.559 120.053 120.570 0.070 0.000 2.560 135 I HA 0.386 4.556 4.170 0.001 0.000 0.283 135 I C -0.372 175.689 176.117 -0.094 0.000 1.115 135 I CA -0.475 60.790 61.300 -0.060 0.000 1.066 135 I CB 1.810 39.708 38.000 -0.169 0.000 1.221 135 I HN 0.151 nan 8.210 nan 0.000 0.450 136 A N 7.540 130.355 122.820 -0.007 0.000 3.355 136 A HA 0.763 5.083 4.320 0.001 0.000 0.290 136 A C -0.794 176.906 177.584 0.193 0.000 0.973 136 A CA -0.316 51.757 52.037 0.059 0.000 0.933 136 A CB -0.056 19.011 19.000 0.112 0.000 1.138 136 A HN 0.628 nan 8.150 nan 0.000 0.490 137 F N -1.588 118.404 119.950 0.069 0.000 2.708 137 F HA 0.593 5.120 4.527 0.001 0.000 0.309 137 F C -1.635 174.243 175.800 0.129 0.000 1.120 137 F CA -1.323 56.742 58.000 0.108 0.000 0.978 137 F CB 0.741 39.798 39.000 0.095 0.000 1.283 137 F HN -0.015 nan 8.300 nan 0.000 0.439 138 L N 2.962 124.393 121.223 0.346 0.000 2.319 138 L HA 0.411 4.752 4.340 0.001 0.000 0.280 138 L C -2.282 174.843 176.870 0.424 0.000 1.099 138 L CA -1.773 53.232 54.840 0.274 0.000 0.828 138 L CB 0.958 43.168 42.059 0.251 0.000 1.150 138 L HN 0.386 nan 8.230 nan 0.000 0.442 139 P HA 0.014 nan 4.420 nan 0.000 0.244 139 P C 0.144 177.617 177.300 0.289 0.000 1.769 139 P CA -0.065 63.240 63.100 0.343 0.000 1.102 139 P CB -0.101 31.739 31.700 0.232 0.000 1.937 140 Y N 2.380 122.801 120.300 0.201 0.000 2.181 140 Y HA -0.112 4.438 4.550 0.001 0.000 0.288 140 Y C 0.787 176.784 175.900 0.162 0.000 1.146 140 Y CA 1.642 59.833 58.100 0.151 0.000 1.164 140 Y CB 0.481 39.012 38.460 0.119 0.000 0.982 140 Y HN 0.199 nan 8.280 nan 0.000 0.515 141 E N -2.194 118.150 120.200 0.240 0.000 2.446 141 E HA 0.173 4.523 4.350 0.001 0.000 0.276 141 E C 0.842 177.595 176.600 0.254 0.000 0.969 141 E CA 0.309 56.831 56.400 0.203 0.000 0.800 141 E CB 1.714 31.606 29.700 0.319 0.000 1.341 141 E HN 0.029 nan 8.360 nan 0.000 0.460 142 S N 0.240 116.096 115.700 0.261 0.000 2.407 142 S HA -0.266 4.204 4.470 0.001 0.000 0.235 142 S C 1.101 175.842 174.600 0.234 0.000 1.036 142 S CA 1.534 59.877 58.200 0.239 0.000 1.013 142 S CB -0.138 63.207 63.200 0.240 0.000 0.820 142 S HN 0.523 nan 8.310 nan 0.000 0.476 143 Q N 0.044 119.999 119.800 0.258 0.000 2.118 143 Q HA 0.403 4.744 4.340 0.001 0.000 0.219 143 Q C -1.212 174.803 176.000 0.025 0.000 0.794 143 Q CA -0.199 55.627 55.803 0.038 0.000 1.035 143 Q CB 1.666 30.235 28.738 -0.281 0.000 1.177 143 Q HN 0.395 nan 8.270 nan 0.000 0.478 144 V N 1.287 121.307 119.914 0.176 0.000 2.588 144 V HA 0.447 4.567 4.120 0.001 0.000 0.304 144 V C -0.927 175.329 176.094 0.269 0.000 1.042 144 V CA -1.115 61.280 62.300 0.158 0.000 0.877 144 V CB 0.809 32.757 31.823 0.208 0.000 0.996 144 V HN 0.220 nan 8.190 nan 0.000 0.425 145 Y N 1.519 121.888 120.300 0.115 0.000 2.485 145 Y HA 0.879 5.430 4.550 0.001 0.000 0.345 145 Y C -0.149 175.836 175.900 0.141 0.000 0.998 145 Y CA -1.231 56.963 58.100 0.156 0.000 1.059 145 Y CB 2.080 40.552 38.460 0.021 0.000 1.234 145 Y HN 0.530 nan 8.280 nan 0.000 0.461 146 S N 3.228 119.097 115.700 0.282 0.000 2.557 146 S HA 0.458 4.928 4.470 0.001 0.000 0.291 146 S C -0.168 174.604 174.600 0.285 0.000 1.116 146 S CA -0.875 57.420 58.200 0.158 0.000 0.992 146 S CB 0.789 64.013 63.200 0.039 0.000 1.028 146 S HN 0.887 nan 8.310 nan 0.000 0.484 147 L N 2.530 123.917 121.223 0.273 0.000 2.591 147 L HA 0.215 4.555 4.340 0.001 0.000 0.228 147 L C 0.318 177.308 176.870 0.199 0.000 1.133 147 L CA 0.189 55.189 54.840 0.267 0.000 0.880 147 L CB -0.848 41.374 42.059 0.272 0.000 1.033 147 L HN 0.852 nan 8.230 nan 0.000 0.450 148 D N 2.053 122.557 120.400 0.173 0.000 3.301 148 D HA -0.210 4.431 4.640 0.001 0.000 0.220 148 D C -0.119 176.260 176.300 0.133 0.000 1.173 148 D CA 0.972 55.055 54.000 0.138 0.000 0.974 148 D CB -0.366 40.508 40.800 0.123 0.000 0.853 148 D HN 0.471 nan 8.370 nan 0.000 0.396 149 S N 0.821 116.608 115.700 0.146 0.000 2.753 149 S HA 0.549 5.019 4.470 0.001 0.000 0.147 149 S C 1.020 175.696 174.600 0.126 0.000 0.980 149 S CA -0.165 58.113 58.200 0.129 0.000 1.044 149 S CB 0.335 63.621 63.200 0.144 0.000 1.715 149 S HN 0.636 nan 8.310 nan 0.000 0.515 150 A N 1.428 124.248 122.820 0.000 0.000 2.024 150 A HA -0.098 4.223 4.320 0.001 0.000 0.220 150 A C 1.641 179.184 177.584 -0.068 0.000 1.164 150 A CA 2.024 53.891 52.037 -0.283 0.000 0.643 150 A CB -0.641 18.128 19.000 -0.383 0.000 0.806 150 A HN 0.597 nan 8.150 nan 0.000 0.451 151 D N -0.022 120.399 120.400 0.035 0.000 2.219 151 D HA -0.109 4.531 4.640 0.001 0.000 0.205 151 D C 2.347 178.742 176.300 0.159 0.000 0.970 151 D CA 1.413 55.469 54.000 0.094 0.000 0.851 151 D CB -0.291 40.554 40.800 0.075 0.000 0.943 151 D HN 0.612 nan 8.370 nan 0.000 0.488 152 S N -0.067 115.738 115.700 0.175 0.000 2.400 152 S HA -0.239 4.232 4.470 0.001 0.000 0.232 152 S C 1.970 176.734 174.600 0.273 0.000 1.025 152 S CA 0.431 58.749 58.200 0.197 0.000 0.993 152 S CB -0.855 62.454 63.200 0.181 0.000 0.808 152 S HN 0.304 nan 8.310 nan 0.000 0.478 153 F N 2.772 122.840 119.950 0.196 0.000 2.065 153 F HA -0.189 4.339 4.527 0.001 0.000 0.298 153 F C 2.740 178.726 175.800 0.310 0.000 1.112 153 F CA 2.317 60.503 58.000 0.310 0.000 1.212 153 F CB -0.938 38.233 39.000 0.285 0.000 0.975 153 F HN 0.293 nan 8.300 nan 0.000 0.476 154 Q N 0.586 120.575 119.800 0.314 0.000 2.045 154 Q HA -0.183 4.157 4.340 0.001 0.000 0.206 154 Q C 1.815 177.869 176.000 0.089 0.000 0.991 154 Q CA 2.511 58.413 55.803 0.165 0.000 0.851 154 Q CB -0.788 28.057 28.738 0.179 0.000 0.911 154 Q HN 0.348 nan 8.270 nan 0.000 0.418 155 S N -0.568 115.206 115.700 0.123 0.000 2.851 155 S HA 0.116 4.587 4.470 0.001 0.000 0.227 155 S C 0.413 175.083 174.600 0.117 0.000 0.958 155 S CA 0.193 58.453 58.200 0.100 0.000 0.990 155 S CB -0.299 62.964 63.200 0.104 0.000 0.790 155 S HN 0.490 nan 8.310 nan 0.000 0.509 156 F N -0.846 119.040 119.950 -0.106 0.000 2.671 156 F HA 0.322 4.850 4.527 0.001 0.000 0.303 156 F C 0.844 176.444 175.800 -0.333 0.000 0.935 156 F CA -0.130 57.735 58.000 -0.224 0.000 1.136 156 F CB 0.433 39.260 39.000 -0.290 0.000 0.929 156 F HN 0.129 nan 8.300 nan 0.000 0.659 157 Y N -0.096 120.110 120.300 -0.158 0.000 2.449 157 Y HA 0.307 4.857 4.550 0.001 0.000 0.254 157 Y C 1.032 176.783 175.900 -0.249 0.000 1.140 157 Y CA 0.199 58.150 58.100 -0.249 0.000 1.272 157 Y CB 0.426 38.674 38.460 -0.354 0.000 1.114 157 Y HN -0.068 nan 8.280 nan 0.000 0.525 158 S N 1.917 117.551 115.700 -0.111 0.000 2.513 158 S HA 0.130 4.601 4.470 0.001 0.000 0.276 158 S C -1.393 173.113 174.600 -0.156 0.000 1.254 158 S CA -1.689 56.409 58.200 -0.169 0.000 1.053 158 S CB 0.850 64.025 63.200 -0.041 0.000 0.958 158 S HN 0.046 nan 8.310 nan 0.000 0.491 159 P HA -0.132 nan 4.420 nan 0.000 0.220 159 P C 0.964 178.158 177.300 -0.178 0.000 1.148 159 P CA 1.195 64.185 63.100 -0.183 0.000 0.803 159 P CB -0.080 31.504 31.700 -0.193 0.000 0.782 160 H N 1.501 120.548 119.070 -0.039 0.000 2.253 160 H HA -0.009 4.548 4.556 0.001 0.000 0.296 160 H C 1.193 176.509 175.328 -0.021 0.000 1.074 160 H CA 1.258 57.293 56.048 -0.022 0.000 1.263 160 H CB -0.698 29.053 29.762 -0.018 0.000 1.363 160 H HN 0.230 nan 8.280 nan 0.000 0.489 161 K N 1.510 121.977 120.400 0.110 0.000 2.968 161 K HA 0.219 4.540 4.320 0.001 0.000 0.249 161 K C 1.513 178.116 176.600 0.005 0.000 1.062 161 K CA 0.089 56.408 56.287 0.054 0.000 1.215 161 K CB 0.284 32.818 32.500 0.056 0.000 1.097 161 K HN 0.205 nan 8.250 nan 0.000 0.462 162 A N 0.796 123.605 122.820 -0.017 0.000 1.902 162 A HA -0.182 4.138 4.320 0.001 0.000 0.217 162 A C 1.475 179.035 177.584 -0.040 0.000 1.181 162 A CA 1.193 53.196 52.037 -0.056 0.000 0.623 162 A CB -0.083 18.881 19.000 -0.061 0.000 0.818 162 A HN 0.313 nan 8.150 nan 0.000 0.443 163 Q N -1.281 118.510 119.800 -0.015 0.000 2.600 163 Q HA 0.410 4.750 4.340 0.001 0.000 0.276 163 Q C 0.461 176.464 176.000 0.005 0.000 1.006 163 Q CA 0.376 56.174 55.803 -0.007 0.000 0.942 163 Q CB 0.059 28.797 28.738 0.000 0.000 1.383 163 Q HN 0.729 nan 8.270 nan 0.000 0.414 164 M N -1.202 118.402 119.600 0.006 0.000 2.204 164 M HA 0.065 4.546 4.480 0.001 0.000 0.407 164 M C 0.820 177.145 176.300 0.041 0.000 0.920 164 M CA 0.140 55.455 55.300 0.026 0.000 1.037 164 M CB 0.609 33.231 32.600 0.035 0.000 2.010 164 M HN 0.206 nan 8.290 nan 0.000 0.674 165 K N -0.095 120.320 120.400 0.024 0.000 2.025 165 K HA -0.036 4.284 4.320 0.001 0.000 0.207 165 K C 1.040 177.691 176.600 0.085 0.000 1.049 165 K CA 1.757 58.083 56.287 0.064 0.000 0.933 165 K CB -0.449 32.034 32.500 -0.028 0.000 0.714 165 K HN 0.211 nan 8.250 nan 0.000 0.438 166 N N 1.673 120.398 118.700 0.041 0.000 2.069 166 N HA -0.085 4.656 4.740 0.001 0.000 0.191 166 N C -1.047 174.486 175.510 0.039 0.000 1.031 166 N CA 1.430 54.501 53.050 0.036 0.000 0.852 166 N CB -1.500 36.995 38.487 0.014 0.000 1.018 166 N HN 0.199 nan 8.380 nan 0.000 0.423 167 P HA -0.070 nan 4.420 nan 0.000 0.215 167 P C 1.587 178.914 177.300 0.044 0.000 1.153 167 P CA 0.956 64.077 63.100 0.034 0.000 0.853 167 P CB 0.018 31.738 31.700 0.033 0.000 0.788 168 I N -1.488 119.121 120.570 0.066 0.000 2.202 168 I HA -0.203 3.968 4.170 0.001 0.000 0.242 168 I C 2.336 178.490 176.117 0.062 0.000 1.091 168 I CA 1.262 62.609 61.300 0.077 0.000 1.368 168 I CB -0.732 37.338 38.000 0.117 0.000 1.058 168 I HN -0.116 nan 8.210 nan 0.000 0.410 169 L N 0.513 121.781 121.223 0.074 0.000 2.079 169 L HA -0.228 4.113 4.340 0.001 0.000 0.210 169 L C 2.516 179.394 176.870 0.014 0.000 1.081 169 L CA 1.520 56.389 54.840 0.048 0.000 0.752 169 L CB -0.605 41.498 42.059 0.073 0.000 0.896 169 L HN 0.314 nan 8.230 nan 0.000 0.433 170 E N -0.353 119.858 120.200 0.019 0.000 2.028 170 E HA -0.257 4.094 4.350 0.001 0.000 0.191 170 E C 2.204 178.808 176.600 0.006 0.000 0.988 170 E CA 0.943 57.348 56.400 0.009 0.000 0.799 170 E CB -0.109 29.598 29.700 0.012 0.000 0.755 170 E HN 0.192 nan 8.360 nan 0.000 0.447 171 R N 1.498 122.007 120.500 0.016 0.000 2.094 171 R HA -0.149 4.191 4.340 0.001 0.000 0.239 171 R C 2.154 178.458 176.300 0.006 0.000 1.137 171 R CA 1.494 57.606 56.100 0.019 0.000 0.943 171 R CB -0.832 29.488 30.300 0.034 0.000 0.850 171 R HN 0.178 nan 8.270 nan 0.000 0.433 172 L N -0.245 120.974 121.223 -0.008 0.000 2.012 172 L HA -0.148 4.192 4.340 0.001 0.000 0.210 172 L C 2.539 179.328 176.870 -0.136 0.000 1.073 172 L CA 1.506 56.307 54.840 -0.066 0.000 0.748 172 L CB -0.867 41.148 42.059 -0.073 0.000 0.891 172 L HN 0.365 nan 8.230 nan 0.000 0.431 173 A N 0.136 122.895 122.820 -0.102 0.000 1.892 173 A HA -0.268 4.053 4.320 0.001 0.000 0.218 173 A C 2.136 179.679 177.584 -0.067 0.000 1.188 173 A CA 2.049 54.026 52.037 -0.101 0.000 0.631 173 A CB -0.558 18.412 19.000 -0.050 0.000 0.822 173 A HN 0.497 nan 8.150 nan 0.000 0.447 174 E N -0.473 119.717 120.200 -0.017 0.000 2.012 174 E HA -0.270 4.081 4.350 0.001 0.000 0.197 174 E C 2.352 178.953 176.600 0.002 0.000 1.007 174 E CA 1.584 58.002 56.400 0.030 0.000 0.816 174 E CB -0.340 29.390 29.700 0.050 0.000 0.762 174 E HN 0.752 nan 8.360 nan 0.000 0.451 175 Q N 0.481 120.283 119.800 0.003 0.000 2.062 175 Q HA -0.221 4.120 4.340 0.001 0.000 0.209 175 Q C 2.387 178.366 176.000 -0.036 0.000 0.996 175 Q CA 1.554 57.377 55.803 0.034 0.000 0.859 175 Q CB -0.362 28.414 28.738 0.063 0.000 0.920 175 Q HN 0.372 nan 8.270 nan 0.000 0.415 176 I N 0.664 121.139 120.570 -0.157 0.000 2.208 176 I HA -0.327 3.844 4.170 0.001 0.000 0.245 176 I C 2.489 178.443 176.117 -0.272 0.000 1.097 176 I CA 0.999 62.129 61.300 -0.284 0.000 1.363 176 I CB -0.553 37.218 38.000 -0.382 0.000 1.051 176 I HN 0.220 nan 8.210 nan 0.000 0.413 177 A N 1.136 123.832 122.820 -0.208 0.000 1.883 177 A HA -0.280 4.040 4.320 0.001 0.000 0.217 177 A C 2.456 179.799 177.584 -0.402 0.000 1.186 177 A CA 2.794 54.671 52.037 -0.267 0.000 0.624 177 A CB -1.385 17.508 19.000 -0.179 0.000 0.822 177 A HN 0.550 nan 8.150 nan 0.000 0.444 178 T N -1.553 112.820 114.554 -0.302 0.000 2.778 178 T HA -0.208 4.143 4.350 0.001 0.000 0.269 178 T C 1.703 176.381 174.700 -0.037 0.000 1.050 178 T CA 1.584 63.566 62.100 -0.196 0.000 1.137 178 T CB -0.598 68.302 68.868 0.054 0.000 0.860 178 T HN 0.293 nan 8.240 nan 0.000 0.468 179 L N 1.288 122.415 121.223 -0.160 0.000 1.970 179 L HA 0.005 4.345 4.340 0.001 0.000 0.212 179 L C 2.735 179.429 176.870 -0.292 0.000 1.071 179 L CA 1.374 55.933 54.840 -0.469 0.000 0.751 179 L CB -1.336 40.142 42.059 -0.968 0.000 0.889 179 L HN 0.450 nan 8.230 nan 0.000 0.432 180 C N -0.049 119.079 119.300 -0.285 0.000 2.393 180 C HA -0.184 4.277 4.460 0.001 0.000 0.276 180 C C 3.006 177.925 174.990 -0.118 0.000 1.215 180 C CA 0.831 59.739 59.018 -0.183 0.000 1.743 180 C CB -1.814 25.834 27.740 -0.154 0.000 2.044 180 C HN 0.764 nan 8.230 nan 0.000 0.464 181 A N 0.179 122.890 122.820 -0.181 0.000 1.892 181 A HA -0.256 4.065 4.320 0.001 0.000 0.218 181 A C 2.170 179.738 177.584 -0.027 0.000 1.188 181 A CA 2.770 54.732 52.037 -0.126 0.000 0.631 181 A CB -1.283 17.519 19.000 -0.330 0.000 0.822 181 A HN 0.595 nan 8.150 nan 0.000 0.447 182 T N 0.100 114.653 114.554 -0.002 0.000 2.833 182 T HA -0.044 4.306 4.350 0.001 0.000 0.269 182 T C 1.404 176.130 174.700 0.043 0.000 1.054 182 T CA 1.420 63.563 62.100 0.072 0.000 1.135 182 T CB -0.290 68.707 68.868 0.215 0.000 0.869 182 T HN 0.382 nan 8.240 nan 0.000 0.466 183 L N 0.163 121.385 121.223 -0.003 0.000 2.628 183 L HA 0.267 4.608 4.340 0.001 0.000 0.229 183 L C 0.516 177.381 176.870 -0.009 0.000 1.137 183 L CA -0.004 54.828 54.840 -0.013 0.000 0.909 183 L CB -0.246 41.782 42.059 -0.053 0.000 1.137 183 L HN 0.167 nan 8.230 nan 0.000 0.470 184 K N 0.817 121.218 120.400 0.002 0.000 3.071 184 K HA -0.175 4.146 4.320 0.001 0.000 0.262 184 K C -0.221 176.391 176.600 0.020 0.000 0.977 184 K CA 0.563 56.858 56.287 0.014 0.000 0.721 184 K CB -1.043 31.463 32.500 0.010 0.000 1.293 184 K HN 0.324 nan 8.250 nan 0.000 0.475 185 E N 0.105 120.316 120.200 0.018 0.000 2.202 185 E HA 0.282 4.632 4.350 0.001 0.000 0.272 185 E C -1.006 175.669 176.600 0.125 0.000 0.951 185 E CA -0.611 55.810 56.400 0.035 0.000 0.813 185 E CB 1.141 30.828 29.700 -0.021 0.000 1.151 185 E HN 0.198 nan 8.360 nan 0.000 0.398 186 Y N 3.087 123.373 120.300 -0.024 0.000 2.513 186 Y HA 0.230 4.780 4.550 0.001 0.000 0.341 186 Y C -2.424 173.481 175.900 0.008 0.000 1.075 186 Y CA -2.009 56.087 58.100 -0.006 0.000 1.190 186 Y CB 0.714 39.178 38.460 0.007 0.000 1.111 186 Y HN 0.290 nan 8.280 nan 0.000 0.644 187 P HA 0.394 nan 4.420 nan 0.000 0.276 187 P C -0.595 176.619 177.300 -0.143 0.000 1.244 187 P CA -0.352 62.694 63.100 -0.090 0.000 0.801 187 P CB 1.458 33.123 31.700 -0.058 0.000 1.006 188 A N 1.952 124.761 122.820 -0.019 0.000 2.450 188 A HA 0.341 4.661 4.320 0.001 0.000 0.255 188 A C 0.145 177.726 177.584 -0.004 0.000 1.096 188 A CA -0.365 51.698 52.037 0.044 0.000 0.778 188 A CB -0.259 18.886 19.000 0.241 0.000 1.031 188 A HN 0.360 nan 8.150 nan 0.000 0.494 189 V N 4.611 124.524 119.914 -0.001 0.000 2.383 189 V HA 0.437 4.557 4.120 0.001 0.000 0.275 189 V C 0.503 176.590 176.094 -0.011 0.000 1.036 189 V CA -0.194 62.097 62.300 -0.015 0.000 0.889 189 V CB 0.497 32.318 31.823 -0.003 0.000 0.985 189 V HN 0.988 nan 8.190 nan 0.000 0.459 190 R N 3.528 123.984 120.500 -0.073 0.000 2.888 190 R HA 0.796 5.137 4.340 0.001 0.000 0.266 190 R C -1.530 174.818 176.300 0.080 0.000 1.020 190 R CA -0.817 55.206 56.100 -0.128 0.000 0.963 190 R CB 2.582 32.620 30.300 -0.436 0.000 1.197 190 R HN 0.798 nan 8.270 nan 0.000 0.481 191 Y N -2.444 117.853 120.300 -0.006 0.000 2.609 191 Y HA 0.464 5.014 4.550 0.001 0.000 0.336 191 Y C -0.871 175.100 175.900 0.119 0.000 1.129 191 Y CA -1.435 56.699 58.100 0.057 0.000 1.040 191 Y CB 1.212 39.703 38.460 0.052 0.000 1.310 191 Y HN 0.384 nan 8.280 nan 0.000 0.460 192 R N 1.369 122.022 120.500 0.254 0.000 2.387 192 R HA 0.242 4.582 4.340 0.001 0.000 0.321 192 R C 1.174 177.552 176.300 0.129 0.000 1.174 192 R CA 0.794 56.958 56.100 0.106 0.000 1.002 192 R CB -0.002 30.398 30.300 0.167 0.000 1.028 192 R HN 1.118 nan 8.270 nan 0.000 0.482 193 G N 2.804 111.546 108.800 -0.095 0.000 2.485 193 G HA2 -0.323 3.638 3.960 0.001 0.000 0.221 193 G HA3 -0.323 3.638 3.960 0.001 0.000 0.221 193 G C 1.046 176.004 174.900 0.098 0.000 1.115 193 G CA 0.702 45.836 45.100 0.057 0.000 0.751 193 G HN 0.761 nan 8.290 nan 0.000 0.567 194 E N -1.149 119.071 120.200 0.033 0.000 2.204 194 E HA -0.101 4.250 4.350 0.001 0.000 0.195 194 E C -0.068 176.638 176.600 0.178 0.000 0.990 194 E CA 0.094 56.533 56.400 0.065 0.000 0.821 194 E CB -0.103 29.625 29.700 0.046 0.000 0.750 194 E HN 0.417 nan 8.360 nan 0.000 0.477 195 Y N 1.409 121.764 120.300 0.093 0.000 2.434 195 Y HA 0.181 4.732 4.550 0.001 0.000 0.341 195 Y C 0.607 176.570 175.900 0.106 0.000 0.965 195 Y CA -0.766 57.401 58.100 0.113 0.000 1.205 195 Y CB 0.679 39.237 38.460 0.163 0.000 1.121 195 Y HN -0.150 nan 8.280 nan 0.000 0.507 196 K N 1.717 122.026 120.400 -0.152 0.000 2.077 196 K HA -0.261 4.060 4.320 0.001 0.000 0.213 196 K C 1.181 177.727 176.600 -0.089 0.000 1.051 196 K CA 2.163 58.379 56.287 -0.118 0.000 0.929 196 K CB 0.045 32.439 32.500 -0.177 0.000 0.715 196 K HN 0.689 nan 8.250 nan 0.000 0.451 197 D N 0.701 121.028 120.400 -0.122 0.000 2.133 197 D HA -0.173 4.468 4.640 0.001 0.000 0.195 197 D C 1.640 178.017 176.300 0.128 0.000 0.997 197 D CA 1.027 55.063 54.000 0.059 0.000 0.840 197 D CB -0.467 40.482 40.800 0.249 0.000 0.947 197 D HN 0.207 nan 8.370 nan 0.000 0.452 198 N N 1.061 119.898 118.700 0.229 0.000 2.060 198 N HA -0.199 4.542 4.740 0.001 0.000 0.195 198 N C 1.820 177.255 175.510 -0.125 0.000 1.028 198 N CA 1.520 54.673 53.050 0.171 0.000 0.861 198 N CB -0.506 38.172 38.487 0.317 0.000 1.029 198 N HN 0.195 nan 8.380 nan 0.000 0.428 199 A N 0.971 123.567 122.820 -0.374 0.000 1.883 199 A HA -0.107 4.213 4.320 0.001 0.000 0.217 199 A C 2.255 179.596 177.584 -0.405 0.000 1.186 199 A CA 1.091 52.614 52.037 -0.858 0.000 0.624 199 A CB -0.715 17.898 19.000 -0.645 0.000 0.822 199 A HN 0.136 nan 8.150 nan 0.000 0.444 200 L N -0.976 120.130 121.223 -0.194 0.000 1.956 200 L HA -0.215 4.125 4.340 0.001 0.000 0.216 200 L C 2.458 179.280 176.870 -0.079 0.000 1.073 200 L CA 2.031 56.810 54.840 -0.101 0.000 0.762 200 L CB -1.108 40.929 42.059 -0.037 0.000 0.889 200 L HN 0.461 nan 8.230 nan 0.000 0.433 201 L N -0.393 120.806 121.223 -0.041 0.000 2.042 201 L HA -0.189 4.152 4.340 0.001 0.000 0.210 201 L C 2.511 179.347 176.870 -0.057 0.000 1.076 201 L CA 2.090 56.913 54.840 -0.028 0.000 0.749 201 L CB -1.104 40.965 42.059 0.016 0.000 0.893 201 L HN 0.247 nan 8.230 nan 0.000 0.432 202 A N -1.137 121.631 122.820 -0.087 0.000 1.917 202 A HA -0.316 4.004 4.320 0.001 0.000 0.219 202 A C 2.275 179.819 177.584 -0.065 0.000 1.182 202 A CA 2.034 54.029 52.037 -0.071 0.000 0.633 202 A CB -0.706 18.221 19.000 -0.121 0.000 0.819 202 A HN 0.603 nan 8.150 nan 0.000 0.448 203 Q N -0.144 119.598 119.800 -0.096 0.000 2.049 203 Q HA -0.005 4.336 4.340 0.001 0.000 0.198 203 Q C 1.917 177.898 176.000 -0.031 0.000 0.971 203 Q CA 1.566 57.336 55.803 -0.055 0.000 0.833 203 Q CB -0.506 28.193 28.738 -0.066 0.000 0.896 203 Q HN 0.640 nan 8.270 nan 0.000 0.434 204 L N -0.113 121.089 121.223 -0.036 0.000 2.013 204 L HA -0.238 4.103 4.340 0.001 0.000 0.212 204 L C 2.404 179.265 176.870 -0.016 0.000 1.073 204 L CA 1.415 56.243 54.840 -0.020 0.000 0.753 204 L CB -0.622 41.424 42.059 -0.022 0.000 0.890 204 L HN 0.302 nan 8.230 nan 0.000 0.432 205 I N -0.684 119.864 120.570 -0.036 0.000 2.127 205 I HA -0.334 3.836 4.170 0.001 0.000 0.241 205 I C 2.718 178.825 176.117 -0.017 0.000 1.075 205 I CA 1.273 62.547 61.300 -0.044 0.000 1.334 205 I CB -0.333 37.618 38.000 -0.082 0.000 1.040 205 I HN 0.311 nan 8.210 nan 0.000 0.405 206 Q N 1.293 121.081 119.800 -0.020 0.000 2.112 206 Q HA -0.261 4.079 4.340 0.001 0.000 0.206 206 Q C 1.667 177.690 176.000 0.038 0.000 0.987 206 Q CA 2.091 57.890 55.803 -0.007 0.000 0.858 206 Q CB -0.283 28.455 28.738 -0.000 0.000 0.905 206 Q HN 0.451 nan 8.270 nan 0.000 0.420 207 D N -0.365 120.055 120.400 0.034 0.000 2.084 207 D HA -0.153 4.488 4.640 0.001 0.000 0.194 207 D C 1.667 178.014 176.300 0.078 0.000 0.990 207 D CA 1.216 55.245 54.000 0.048 0.000 0.826 207 D CB -0.104 40.712 40.800 0.026 0.000 0.971 207 D HN 0.182 nan 8.370 nan 0.000 0.453 208 K N 0.592 121.045 120.400 0.087 0.000 2.147 208 K HA -0.047 4.273 4.320 0.001 0.000 0.205 208 K C 2.369 179.144 176.600 0.291 0.000 1.049 208 K CA 0.244 56.630 56.287 0.164 0.000 0.936 208 K CB -0.492 32.103 32.500 0.158 0.000 0.722 208 K HN 0.279 nan 8.250 nan 0.000 0.446 209 L N 1.040 122.389 121.223 0.210 0.000 2.005 209 L HA -0.199 4.142 4.340 0.001 0.000 0.207 209 L C 1.848 178.954 176.870 0.393 0.000 1.072 209 L CA 1.242 56.255 54.840 0.288 0.000 0.744 209 L CB -0.570 41.568 42.059 0.132 0.000 0.895 209 L HN 0.114 nan 8.230 nan 0.000 0.433 210 D N 0.380 120.962 120.400 0.303 0.000 2.203 210 D HA -0.217 4.423 4.640 0.001 0.000 0.199 210 D C 2.039 178.412 176.300 0.121 0.000 0.997 210 D CA 1.493 55.634 54.000 0.235 0.000 0.863 210 D CB -0.084 40.808 40.800 0.153 0.000 0.928 210 D HN 0.382 nan 8.370 nan 0.000 0.458 211 A N 0.717 123.597 122.820 0.101 0.000 1.827 211 A HA -0.222 4.098 4.320 0.001 0.000 0.215 211 A C 2.045 179.607 177.584 -0.037 0.000 1.212 211 A CA 1.370 53.391 52.037 -0.027 0.000 0.624 211 A CB -1.481 17.437 19.000 -0.136 0.000 0.853 211 A HN 0.226 nan 8.150 nan 0.000 0.450 212 Y N 0.444 120.759 120.300 0.026 0.000 2.283 212 Y HA -0.271 4.279 4.550 0.001 0.000 0.285 212 Y C 2.353 178.242 175.900 -0.018 0.000 1.176 212 Y CA 1.877 59.987 58.100 0.017 0.000 1.229 212 Y CB -0.413 38.073 38.460 0.043 0.000 0.975 212 Y HN 0.404 nan 8.280 nan 0.000 0.537 213 K N 0.843 121.303 120.400 0.100 0.000 1.968 213 K HA -0.076 4.244 4.320 0.001 0.000 0.215 213 K C 2.309 178.838 176.600 -0.119 0.000 1.040 213 K CA 1.626 57.835 56.287 -0.129 0.000 0.959 213 K CB -1.060 31.206 32.500 -0.389 0.000 0.740 213 K HN 0.064 nan 8.250 nan 0.000 0.443 214 A N 1.226 123.989 122.820 -0.095 0.000 2.093 214 A HA -0.237 4.084 4.320 0.001 0.000 0.222 214 A C 2.029 179.577 177.584 -0.060 0.000 1.162 214 A CA 2.262 54.254 52.037 -0.075 0.000 0.655 214 A CB -0.959 18.010 19.000 -0.052 0.000 0.805 214 A HN 0.670 nan 8.150 nan 0.000 0.461 215 D N 0.136 120.505 120.400 -0.052 0.000 2.075 215 D HA -0.128 4.513 4.640 0.001 0.000 0.196 215 D C 0.071 176.356 176.300 -0.026 0.000 0.985 215 D CA 1.211 55.184 54.000 -0.046 0.000 0.834 215 D CB -0.201 40.564 40.800 -0.059 0.000 0.987 215 D HN 0.309 nan 8.370 nan 0.000 0.452 216 D N -0.412 119.984 120.400 -0.007 0.000 2.467 216 D HA 0.167 4.808 4.640 0.001 0.000 0.220 216 D C -1.947 174.328 176.300 -0.042 0.000 1.103 216 D CA -2.078 51.919 54.000 -0.005 0.000 0.886 216 D CB 1.635 42.455 40.800 0.033 0.000 1.025 216 D HN -0.034 nan 8.370 nan 0.000 0.514 217 P HA -0.090 nan 4.420 nan 0.000 0.221 217 P C 0.994 178.255 177.300 -0.066 0.000 1.145 217 P CA 1.140 64.199 63.100 -0.069 0.000 0.795 217 P CB 0.095 31.766 31.700 -0.048 0.000 0.775 218 T N -5.023 109.506 114.554 -0.041 0.000 3.278 218 T HA 0.217 4.568 4.350 0.001 0.000 0.251 218 T C 0.449 175.134 174.700 -0.025 0.000 1.039 218 T CA -0.292 61.790 62.100 -0.030 0.000 0.935 218 T CB -1.005 67.853 68.868 -0.016 0.000 1.034 218 T HN -0.022 nan 8.240 nan 0.000 0.575 219 M N 1.718 121.292 119.600 -0.043 0.000 2.094 219 M HA 0.502 4.982 4.480 0.001 0.000 0.348 219 M C 1.121 177.413 176.300 -0.013 0.000 1.267 219 M CA 0.673 55.962 55.300 -0.019 0.000 1.125 219 M CB -0.207 32.388 32.600 -0.008 0.000 1.527 219 M HN 0.525 nan 8.290 nan 0.000 0.447 220 G N 2.988 111.814 108.800 0.043 0.000 2.232 220 G HA2 -0.241 3.720 3.960 0.001 0.000 0.226 220 G HA3 -0.241 3.720 3.960 0.001 0.000 0.226 220 G C -0.004 174.919 174.900 0.039 0.000 0.996 220 G CA 0.187 45.342 45.100 0.091 0.000 0.626 220 G HN 0.710 nan 8.290 nan 0.000 0.509 221 E N 0.834 121.035 120.200 0.002 0.000 2.452 221 E HA 0.450 4.801 4.350 0.001 0.000 0.261 221 E C 0.646 177.241 176.600 -0.008 0.000 0.987 221 E CA 0.986 57.382 56.400 -0.007 0.000 0.926 221 E CB 0.116 29.804 29.700 -0.019 0.000 0.934 221 E HN 1.704 nan 8.360 nan 0.000 0.452 222 G N 3.873 112.666 108.800 -0.011 0.000 2.340 222 G HA2 -0.090 3.870 3.960 0.001 0.000 0.527 222 G HA3 -0.090 3.870 3.960 0.001 0.000 0.527 222 G C -2.370 172.516 174.900 -0.024 0.000 1.381 222 G CA -0.320 44.768 45.100 -0.020 0.000 1.001 222 G HN 0.457 nan 8.290 nan 0.000 0.626 223 P HA 0.092 nan 4.420 nan 0.000 0.215 223 P C 0.848 178.110 177.300 -0.064 0.000 1.160 223 P CA 1.583 64.659 63.100 -0.039 0.000 0.869 223 P CB 0.240 31.915 31.700 -0.041 0.000 0.782 224 D N 0.978 121.321 120.400 -0.096 0.000 2.097 224 D HA -0.103 4.538 4.640 0.001 0.000 0.197 224 D C 1.820 178.026 176.300 -0.156 0.000 0.984 224 D CA 1.089 54.990 54.000 -0.166 0.000 0.826 224 D CB -0.457 40.227 40.800 -0.194 0.000 0.973 224 D HN 0.270 nan 8.370 nan 0.000 0.460 225 K N 0.848 121.189 120.400 -0.098 0.000 2.360 225 K HA -0.054 4.266 4.320 0.001 0.000 0.201 225 K C 1.938 178.527 176.600 -0.018 0.000 1.046 225 K CA 0.835 57.086 56.287 -0.059 0.000 0.940 225 K CB 0.010 32.496 32.500 -0.024 0.000 0.748 225 K HN 0.050 nan 8.250 nan 0.000 0.465 226 A N 1.198 124.008 122.820 -0.016 0.000 1.970 226 A HA -0.056 4.265 4.320 0.001 0.000 0.216 226 A C 1.805 179.409 177.584 0.033 0.000 1.170 226 A CA 0.740 52.791 52.037 0.024 0.000 0.645 226 A CB -0.036 18.976 19.000 0.020 0.000 0.816 226 A HN 0.164 nan 8.150 nan 0.000 0.447 227 R N 0.379 120.879 120.500 -0.000 0.000 2.310 227 R HA 0.173 4.514 4.340 0.001 0.000 0.202 227 R C 0.013 176.388 176.300 0.126 0.000 0.933 227 R CA -0.008 56.131 56.100 0.064 0.000 1.054 227 R CB 0.062 30.393 30.300 0.051 0.000 0.985 227 R HN 0.345 nan 8.270 nan 0.000 0.489 228 S N 1.254 116.973 115.700 0.032 0.000 2.573 228 S HA 0.095 4.566 4.470 0.001 0.000 0.277 228 S C 0.083 174.770 174.600 0.144 0.000 1.346 228 S CA 0.113 58.364 58.200 0.085 0.000 1.034 228 S CB 0.967 64.166 63.200 -0.002 0.000 0.879 228 S HN 0.158 nan 8.310 nan 0.000 0.528 229 Q N 0.178 120.078 119.800 0.168 0.000 2.416 229 Q HA 0.594 4.934 4.340 0.001 0.000 0.281 229 Q C -1.739 174.271 176.000 0.016 0.000 1.067 229 Q CA -0.876 54.971 55.803 0.074 0.000 0.809 229 Q CB 2.244 31.017 28.738 0.058 0.000 1.418 229 Q HN 0.449 nan 8.270 nan 0.000 0.411 230 L N 2.043 123.246 121.223 -0.034 0.000 2.385 230 L HA 0.612 4.953 4.340 0.001 0.000 0.273 230 L C -2.088 174.753 176.870 -0.048 0.000 0.990 230 L CA -0.654 54.163 54.840 -0.038 0.000 0.821 230 L CB 1.680 43.706 42.059 -0.055 0.000 1.279 230 L HN 0.550 nan 8.230 nan 0.000 0.412 231 L N 5.592 126.795 121.223 -0.034 0.000 2.362 231 L HA 0.647 4.987 4.340 0.001 0.000 0.275 231 L C -1.109 175.779 176.870 0.031 0.000 0.998 231 L CA -0.183 54.630 54.840 -0.044 0.000 0.820 231 L CB 1.643 43.620 42.059 -0.137 0.000 1.270 231 L HN 0.563 nan 8.230 nan 0.000 0.415 232 I N 5.577 126.201 120.570 0.090 0.000 2.336 232 I HA 0.536 4.706 4.170 0.001 0.000 0.292 232 I C -0.566 175.613 176.117 0.103 0.000 0.991 232 I CA -0.000 61.392 61.300 0.154 0.000 1.227 232 I CB 1.434 39.554 38.000 0.200 0.000 1.366 232 I HN 0.415 nan 8.210 nan 0.000 0.466 233 L N 5.569 126.798 121.223 0.009 0.000 2.303 233 L HA 0.615 4.955 4.340 0.001 0.000 0.256 233 L C -0.693 176.163 176.870 -0.023 0.000 1.034 233 L CA -0.676 54.116 54.840 -0.079 0.000 0.832 233 L CB 1.822 43.617 42.059 -0.441 0.000 1.403 233 L HN 0.618 nan 8.230 nan 0.000 0.419 234 D N -0.323 120.096 120.400 0.033 0.000 2.350 234 D HA 0.236 4.877 4.640 0.001 0.000 0.245 234 D C 0.541 176.943 176.300 0.169 0.000 1.036 234 D CA -0.686 53.346 54.000 0.054 0.000 0.848 234 D CB 2.077 42.794 40.800 -0.139 0.000 1.307 234 D HN 0.316 nan 8.370 nan 0.000 0.469 235 R N 2.306 122.897 120.500 0.152 0.000 2.185 235 R HA -0.139 4.201 4.340 0.001 0.000 0.247 235 R C 1.952 178.245 176.300 -0.011 0.000 1.159 235 R CA 2.106 58.270 56.100 0.107 0.000 0.988 235 R CB -1.349 28.977 30.300 0.043 0.000 0.871 235 R HN 0.710 nan 8.270 nan 0.000 0.458 236 G N 0.114 108.874 108.800 -0.066 0.000 2.475 236 G HA2 -0.325 3.635 3.960 0.001 0.000 0.220 236 G HA3 -0.325 3.635 3.960 0.001 0.000 0.220 236 G C 1.375 176.216 174.900 -0.099 0.000 1.125 236 G CA 0.869 45.886 45.100 -0.137 0.000 0.755 236 G HN 0.598 nan 8.290 nan 0.000 0.565 237 F N 0.805 120.694 119.950 -0.101 0.000 2.250 237 F HA 0.055 4.582 4.527 0.001 0.000 0.301 237 F C 0.490 176.262 175.800 -0.046 0.000 1.077 237 F CA 1.030 59.005 58.000 -0.041 0.000 1.348 237 F CB 0.128 39.135 39.000 0.013 0.000 1.040 237 F HN 0.130 nan 8.300 nan 0.000 0.509 238 D N 0.001 119.755 120.400 -1.076 0.000 2.752 238 D HA 0.249 4.890 4.640 0.001 0.000 0.242 238 D C -2.456 173.480 176.300 -0.606 0.000 1.295 238 D CA -1.992 51.476 54.000 -0.888 0.000 0.846 238 D CB 0.962 41.027 40.800 -1.226 0.000 1.454 238 D HN -0.129 nan 8.370 nan 0.000 0.535 239 P HA 0.025 nan 4.420 nan 0.000 0.226 239 P C 1.070 178.097 177.300 -0.456 0.000 1.153 239 P CA 0.542 63.245 63.100 -0.661 0.000 0.777 239 P CB 0.528 31.402 31.700 -1.376 0.000 0.794 240 S N -0.910 114.559 115.700 -0.384 0.000 2.371 240 S HA -0.070 4.400 4.470 0.001 0.000 0.221 240 S C 2.033 176.464 174.600 -0.283 0.000 1.036 240 S CA 1.102 59.140 58.200 -0.270 0.000 0.965 240 S CB -0.917 61.977 63.200 -0.510 0.000 0.845 240 S HN 0.135 nan 8.310 nan 0.000 0.475 241 S N 2.464 118.046 115.700 -0.197 0.000 2.372 241 S HA -0.094 4.376 4.470 0.001 0.000 0.227 241 S C -0.860 173.696 174.600 -0.072 0.000 1.044 241 S CA 1.599 59.773 58.200 -0.044 0.000 1.050 241 S CB -1.417 61.852 63.200 0.115 0.000 0.901 241 S HN 0.401 nan 8.310 nan 0.000 0.447 242 P HA 0.026 nan 4.420 nan 0.000 0.234 242 P C 0.935 178.196 177.300 -0.065 0.000 1.167 242 P CA 0.680 63.734 63.100 -0.078 0.000 0.763 242 P CB -0.084 31.559 31.700 -0.095 0.000 0.835 243 V N -6.015 113.860 119.914 -0.065 0.000 3.432 243 V HA 0.272 4.393 4.120 0.001 0.000 0.298 243 V C 0.340 176.401 176.094 -0.056 0.000 1.464 243 V CA -0.129 62.145 62.300 -0.044 0.000 1.046 243 V CB -0.704 31.125 31.823 0.012 0.000 0.887 243 V HN -0.162 nan 8.190 nan 0.000 0.441 244 L N 1.290 122.462 121.223 -0.084 0.000 2.350 244 L HA 0.506 4.846 4.340 0.001 0.000 0.275 244 L C 0.056 176.920 176.870 -0.011 0.000 1.099 244 L CA -0.623 54.189 54.840 -0.047 0.000 0.808 244 L CB 0.616 42.589 42.059 -0.144 0.000 1.149 244 L HN 0.269 nan 8.230 nan 0.000 0.442 245 H N 2.387 121.454 119.070 -0.004 0.000 3.157 245 H HA 0.117 4.674 4.556 0.001 0.000 0.260 245 H C -0.268 175.065 175.328 0.009 0.000 1.232 245 H CA -0.085 55.976 56.048 0.022 0.000 1.488 245 H CB -0.155 29.639 29.762 0.054 0.000 1.548 245 H HN 0.337 nan 8.280 nan 0.000 0.487 246 E N 2.681 122.916 120.200 0.058 0.000 2.349 246 E HA 0.093 4.444 4.350 0.001 0.000 0.265 246 E C 0.684 177.250 176.600 -0.056 0.000 1.064 246 E CA -0.328 56.085 56.400 0.023 0.000 0.886 246 E CB 1.620 31.334 29.700 0.024 0.000 1.036 246 E HN 0.615 nan 8.360 nan 0.000 0.413 247 L N 0.842 121.959 121.223 -0.176 0.000 2.766 247 L HA 0.071 4.411 4.340 0.001 0.000 0.242 247 L C 0.702 177.264 176.870 -0.514 0.000 1.136 247 L CA -0.019 54.576 54.840 -0.409 0.000 0.933 247 L CB 0.339 42.023 42.059 -0.625 0.000 1.241 247 L HN 0.435 nan 8.230 nan 0.000 0.522 248 T N -2.796 111.590 114.554 -0.279 0.000 2.919 248 T HA 0.037 4.388 4.350 0.001 0.000 0.302 248 T C 1.061 175.754 174.700 -0.013 0.000 1.031 248 T CA -0.498 61.507 62.100 -0.159 0.000 1.127 248 T CB 1.295 70.142 68.868 -0.035 0.000 0.952 248 T HN -0.067 nan 8.240 nan 0.000 0.540 249 F N 1.537 121.372 119.950 -0.192 0.000 2.045 249 F HA -0.204 4.323 4.527 0.000 0.000 0.297 249 F C 2.511 178.275 175.800 -0.060 0.000 1.114 249 F CA 2.084 59.987 58.000 -0.161 0.000 1.207 249 F CB -0.874 37.989 39.000 -0.229 0.000 0.964 249 F HN 0.875 nan 8.300 nan 0.000 0.486 250 Q N -0.254 119.519 119.800 -0.044 0.000 1.967 250 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 250 Q C 2.337 178.470 176.000 0.222 0.000 0.985 250 Q CA 1.863 57.719 55.803 0.089 0.000 0.839 250 Q CB -0.465 28.282 28.738 0.014 0.000 0.906 250 Q HN 0.407 nan 8.270 nan 0.000 0.423 251 A N 1.189 124.075 122.820 0.110 0.000 1.873 251 A HA -0.279 4.041 4.320 0.001 0.000 0.218 251 A C 2.150 179.788 177.584 0.091 0.000 1.193 251 A CA 1.989 54.078 52.037 0.087 0.000 0.629 251 A CB -0.880 18.146 19.000 0.043 0.000 0.826 251 A HN 0.668 nan 8.150 nan 0.000 0.447 252 M N 0.501 120.135 119.600 0.057 0.000 2.065 252 M HA -0.213 4.267 4.480 0.001 0.000 0.259 252 M C 2.478 178.805 176.300 0.044 0.000 1.071 252 M CA 2.679 57.999 55.300 0.034 0.000 1.109 252 M CB -0.311 32.286 32.600 -0.005 0.000 1.313 252 M HN 0.614 nan 8.290 nan 0.000 0.408 253 S N -0.386 115.340 115.700 0.043 0.000 2.359 253 S HA -0.244 4.226 4.470 0.001 0.000 0.222 253 S C 1.760 176.311 174.600 -0.082 0.000 1.038 253 S CA 1.695 59.850 58.200 -0.074 0.000 1.051 253 S CB -1.543 61.529 63.200 -0.213 0.000 0.944 253 S HN 0.647 nan 8.310 nan 0.000 0.433 254 Y N 2.504 122.769 120.300 -0.058 0.000 2.193 254 Y HA -0.152 4.399 4.550 0.001 0.000 0.285 254 Y C 2.745 178.625 175.900 -0.035 0.000 1.166 254 Y CA 1.687 59.767 58.100 -0.033 0.000 1.181 254 Y CB -0.472 37.995 38.460 0.012 0.000 0.976 254 Y HN 0.377 nan 8.280 nan 0.000 0.520 255 D N -0.085 120.380 120.400 0.110 0.000 2.084 255 D HA -0.131 4.509 4.640 0.001 0.000 0.199 255 D C 2.119 178.424 176.300 0.008 0.000 0.981 255 D CA 1.344 55.363 54.000 0.032 0.000 0.841 255 D CB -0.271 40.517 40.800 -0.021 0.000 0.997 255 D HN 0.271 nan 8.370 nan 0.000 0.454 256 L N 0.190 121.416 121.223 0.005 0.000 2.056 256 L HA -0.001 4.339 4.340 0.001 0.000 0.207 256 L C 1.093 177.905 176.870 -0.096 0.000 1.078 256 L CA 0.442 55.288 54.840 0.009 0.000 0.749 256 L CB -0.302 41.785 42.059 0.047 0.000 0.901 256 L HN 0.016 nan 8.230 nan 0.000 0.433 257 L N -0.066 121.058 121.223 -0.164 0.000 2.379 257 L HA 0.247 4.587 4.340 0.001 0.000 0.269 257 L C -1.902 174.911 176.870 -0.095 0.000 1.084 257 L CA -1.878 52.836 54.840 -0.210 0.000 0.802 257 L CB 0.103 42.013 42.059 -0.248 0.000 1.175 257 L HN -0.237 nan 8.230 nan 0.000 0.448 258 P HA 0.165 nan 4.420 nan 0.000 0.249 258 P C -0.254 177.041 177.300 -0.009 0.000 1.686 258 P CA 0.197 63.295 63.100 -0.005 0.000 0.873 258 P CB -0.358 31.356 31.700 0.023 0.000 1.828 259 I N 0.832 121.359 120.570 -0.072 0.000 2.505 259 I HA 0.071 4.241 4.170 0.001 0.000 0.287 259 I C 0.877 176.959 176.117 -0.057 0.000 1.104 259 I CA 0.106 61.324 61.300 -0.136 0.000 1.387 259 I CB 0.317 38.020 38.000 -0.494 0.000 1.404 259 I HN 0.009 nan 8.210 nan 0.000 0.528 260 E N 7.253 127.440 120.200 -0.023 0.000 2.176 260 E HA 0.261 4.612 4.350 0.001 0.000 0.267 260 E C -0.410 176.209 176.600 0.033 0.000 0.893 260 E CA -0.524 55.888 56.400 0.019 0.000 0.761 260 E CB 0.645 30.351 29.700 0.009 0.000 1.133 260 E HN 0.425 nan 8.360 nan 0.000 0.409 261 N N 5.094 123.843 118.700 0.081 0.000 2.740 261 N HA -0.206 4.535 4.740 0.001 0.000 0.248 261 N C -0.782 174.781 175.510 0.088 0.000 1.062 261 N CA 1.263 54.369 53.050 0.094 0.000 0.704 261 N CB -0.922 37.597 38.487 0.053 0.000 0.968 261 N HN 0.800 nan 8.380 nan 0.000 0.547 262 D N -3.711 116.772 120.400 0.138 0.000 2.880 262 D HA -0.207 4.434 4.640 0.001 0.000 0.198 262 D C 0.278 176.520 176.300 -0.098 0.000 1.059 262 D CA 1.297 55.346 54.000 0.081 0.000 1.019 262 D CB -0.996 39.857 40.800 0.089 0.000 1.112 262 D HN 0.400 nan 8.370 nan 0.000 0.424 263 V N 0.560 120.435 119.914 -0.066 0.000 2.607 263 V HA 0.374 4.494 4.120 0.001 0.000 0.289 263 V C -0.823 175.242 176.094 -0.047 0.000 1.053 263 V CA -0.492 61.761 62.300 -0.078 0.000 0.996 263 V CB 1.367 33.154 31.823 -0.060 0.000 0.995 263 V HN 0.170 nan 8.190 nan 0.000 0.476 264 Y N 7.143 127.331 120.300 -0.187 0.000 2.363 264 Y HA 0.539 5.089 4.550 0.001 0.000 0.325 264 Y C -0.150 175.731 175.900 -0.031 0.000 0.984 264 Y CA -1.337 56.675 58.100 -0.147 0.000 1.248 264 Y CB 0.970 39.298 38.460 -0.220 0.000 1.116 264 Y HN 0.708 nan 8.280 nan 0.000 0.470 265 K N 5.379 125.532 120.400 -0.412 0.000 2.130 265 K HA 0.629 4.949 4.320 0.001 0.000 0.268 265 K C -1.733 174.550 176.600 -0.528 0.000 0.983 265 K CA -0.645 55.378 56.287 -0.440 0.000 0.893 265 K CB 1.793 34.143 32.500 -0.251 0.000 1.066 265 K HN 0.652 nan 8.250 nan 0.000 0.450 266 Y N -1.956 118.021 120.300 -0.540 0.000 2.552 266 Y HA 0.356 4.906 4.550 -0.000 0.000 0.337 266 Y C -1.080 174.676 175.900 -0.240 0.000 1.094 266 Y CA -1.330 56.550 58.100 -0.366 0.000 1.028 266 Y CB 1.308 39.551 38.460 -0.362 0.000 1.321 266 Y HN 0.788 nan 8.280 nan 0.000 0.456 267 E N 1.577 121.755 120.200 -0.036 0.000 2.366 267 E HA 0.381 4.732 4.350 0.001 0.000 0.266 267 E C -0.662 175.886 176.600 -0.087 0.000 1.051 267 E CA -0.234 56.113 56.400 -0.089 0.000 0.884 267 E CB 1.198 30.898 29.700 0.000 0.000 1.006 267 E HN 0.831 nan 8.360 nan 0.000 0.417 277 K N 2.796 122.806 120.400 -0.650 0.000 2.130 277 K HA 0.694 5.014 4.320 0.001 0.000 0.268 277 K C -0.395 175.885 176.600 -0.534 0.000 0.983 277 K CA -0.624 55.319 56.287 -0.573 0.000 0.893 277 K CB 2.156 34.283 32.500 -0.621 0.000 1.066 277 K HN 0.633 nan 8.250 nan 0.000 0.450 278 E N 2.047 122.063 120.200 -0.306 0.000 2.149 278 E HA 0.139 4.489 4.350 0.001 0.000 0.255 278 E C -1.256 175.258 176.600 -0.142 0.000 0.888 278 E CA -0.526 55.740 56.400 -0.223 0.000 0.742 278 E CB 1.943 31.543 29.700 -0.167 0.000 1.164 278 E HN 0.162 nan 8.360 nan 0.000 0.422 279 V N 4.855 124.714 119.914 -0.092 0.000 2.439 279 V HA 0.279 4.400 4.120 0.001 0.000 0.282 279 V C -0.650 175.381 176.094 -0.105 0.000 1.039 279 V CA -0.749 61.512 62.300 -0.065 0.000 0.913 279 V CB 1.168 32.983 31.823 -0.014 0.000 0.983 279 V HN 0.510 nan 8.190 nan 0.000 0.460 280 L N 7.521 128.668 121.223 -0.128 0.000 2.281 280 L HA 0.458 4.798 4.340 0.001 0.000 0.285 280 L C -0.347 176.353 176.870 -0.283 0.000 1.074 280 L CA 0.228 54.971 54.840 -0.163 0.000 0.817 280 L CB 0.840 42.831 42.059 -0.114 0.000 1.168 280 L HN 0.632 nan 8.230 nan 0.000 0.434 281 L N 6.557 127.529 121.223 -0.419 0.000 2.334 281 L HA 0.380 4.721 4.340 0.001 0.000 0.286 281 L C -0.542 175.973 176.870 -0.592 0.000 1.108 281 L CA -0.342 54.004 54.840 -0.824 0.000 0.875 281 L CB -0.180 41.177 42.059 -1.170 0.000 1.246 281 L HN 0.738 nan 8.230 nan 0.000 0.439 282 D N 0.727 120.863 120.400 -0.440 0.000 2.812 282 D HA 0.106 4.746 4.640 0.001 0.000 0.318 282 D C 0.093 176.395 176.300 0.004 0.000 1.234 282 D CA -0.647 53.244 54.000 -0.182 0.000 0.989 282 D CB 0.917 41.641 40.800 -0.128 0.000 1.442 282 D HN 0.185 nan 8.370 nan 0.000 0.537 283 E N -0.753 119.468 120.200 0.035 0.000 2.489 283 E HA 0.002 4.353 4.350 0.001 0.000 0.193 283 E C 0.247 176.882 176.600 0.058 0.000 1.057 283 E CA 0.127 56.577 56.400 0.084 0.000 0.866 283 E CB 0.175 29.912 29.700 0.062 0.000 0.916 283 E HN 0.293 nan 8.360 nan 0.000 0.500 284 D N 1.219 121.637 120.400 0.030 0.000 2.264 284 D HA -0.103 4.537 4.640 0.001 0.000 0.208 284 D C 0.477 176.802 176.300 0.041 0.000 0.966 284 D CA 0.914 54.929 54.000 0.026 0.000 0.864 284 D CB 0.008 40.812 40.800 0.007 0.000 0.933 284 D HN 0.046 nan 8.370 nan 0.000 0.499 285 D N 1.180 121.619 120.400 0.064 0.000 2.441 285 D HA -0.006 4.635 4.640 0.001 0.000 0.221 285 D C 0.508 176.876 176.300 0.114 0.000 1.156 285 D CA -0.255 53.806 54.000 0.103 0.000 0.896 285 D CB 0.721 41.613 40.800 0.153 0.000 1.028 285 D HN -0.142 nan 8.370 nan 0.000 0.509 286 D N 2.919 123.347 120.400 0.046 0.000 2.149 286 D HA -0.181 4.460 4.640 0.001 0.000 0.198 286 D C 1.880 178.147 176.300 -0.055 0.000 0.990 286 D CA 0.556 54.560 54.000 0.006 0.000 0.839 286 D CB 0.325 41.125 40.800 0.001 0.000 0.948 286 D HN 0.379 nan 8.370 nan 0.000 0.460 287 L N 0.548 121.700 121.223 -0.118 0.000 2.093 287 L HA -0.075 4.265 4.340 0.001 0.000 0.208 287 L C 2.062 178.739 176.870 -0.322 0.000 1.085 287 L CA 1.456 56.111 54.840 -0.309 0.000 0.755 287 L CB -0.781 40.952 42.059 -0.545 0.000 0.904 287 L HN 0.227 nan 8.230 nan 0.000 0.435 288 W N 0.523 121.626 121.300 -0.327 0.000 2.335 288 W HA -0.273 4.388 4.660 0.000 0.000 0.311 288 W C 2.243 178.661 176.519 -0.168 0.000 1.213 288 W CA 2.149 59.408 57.345 -0.142 0.000 1.274 288 W CB -0.290 29.213 29.460 0.071 0.000 1.148 288 W HN 0.187 nan 8.180 nan 0.000 0.498 289 I N 1.557 122.035 120.570 -0.152 0.000 2.315 289 I HA -0.326 3.845 4.170 0.001 0.000 0.251 289 I C 2.602 178.495 176.117 -0.373 0.000 1.125 289 I CA 1.674 62.798 61.300 -0.293 0.000 1.392 289 I CB -0.965 36.968 38.000 -0.113 0.000 1.065 289 I HN 0.007 nan 8.210 nan 0.000 0.424 290 A N 0.278 122.928 122.820 -0.283 0.000 2.067 290 A HA 0.070 4.390 4.320 0.001 0.000 0.217 290 A C 2.105 179.534 177.584 -0.259 0.000 1.156 290 A CA 0.836 52.735 52.037 -0.230 0.000 0.683 290 A CB -0.245 18.656 19.000 -0.166 0.000 0.808 290 A HN 0.444 nan 8.150 nan 0.000 0.455 291 L N -2.065 118.957 121.223 -0.335 0.000 2.638 291 L HA 0.154 4.494 4.340 0.001 0.000 0.232 291 L C 2.285 178.960 176.870 -0.327 0.000 1.099 291 L CA -0.107 54.601 54.840 -0.221 0.000 0.883 291 L CB -0.297 41.764 42.059 0.002 0.000 1.136 291 L HN 0.236 nan 8.230 nan 0.000 0.492 292 R N 0.672 120.702 120.500 -0.782 0.000 2.136 292 R HA -0.216 4.125 4.340 0.001 0.000 0.242 292 R C 1.243 177.204 176.300 -0.565 0.000 1.131 292 R CA 2.208 57.690 56.100 -1.031 0.000 0.937 292 R CB -0.472 28.994 30.300 -1.390 0.000 0.863 292 R HN 0.533 nan 8.270 nan 0.000 0.435 293 H N -0.360 118.569 119.070 -0.235 0.000 2.520 293 H HA 0.203 4.760 4.556 0.001 0.000 0.284 293 H C -0.107 175.177 175.328 -0.074 0.000 1.037 293 H CA -0.500 55.472 56.048 -0.127 0.000 1.168 293 H CB 0.437 30.132 29.762 -0.110 0.000 1.497 293 H HN -0.154 nan 8.280 nan 0.000 0.547 294 K N 1.045 121.432 120.400 -0.022 0.000 2.126 294 K HA 0.088 4.409 4.320 0.001 0.000 0.257 294 K C 0.114 176.701 176.600 -0.021 0.000 1.007 294 K CA -0.398 55.882 56.287 -0.012 0.000 0.928 294 K CB 0.799 33.259 32.500 -0.067 0.000 1.013 294 K HN 0.333 nan 8.250 nan 0.000 0.473 295 H N 2.035 121.042 119.070 -0.106 0.000 2.683 295 H HA 0.007 4.563 4.556 0.001 0.000 0.339 295 H C 1.259 176.430 175.328 -0.262 0.000 1.081 295 H CA -0.094 55.828 56.048 -0.209 0.000 1.432 295 H CB 0.919 30.468 29.762 -0.354 0.000 1.462 295 H HN 0.493 nan 8.280 nan 0.000 0.557 296 I N 4.899 125.268 120.570 -0.335 0.000 2.367 296 I HA -0.322 3.849 4.170 0.001 0.000 0.256 296 I C 2.036 178.070 176.117 -0.139 0.000 1.132 296 I CA 2.030 63.172 61.300 -0.263 0.000 1.397 296 I CB -0.588 37.238 38.000 -0.289 0.000 1.074 296 I HN 0.717 nan 8.210 nan 0.000 0.435 297 A N -0.195 122.653 122.820 0.045 0.000 1.855 297 A HA -0.193 4.127 4.320 0.001 0.000 0.215 297 A C 2.207 179.772 177.584 -0.031 0.000 1.191 297 A CA 1.664 53.692 52.037 -0.015 0.000 0.613 297 A CB -0.835 18.127 19.000 -0.063 0.000 0.829 297 A HN 0.566 nan 8.150 nan 0.000 0.442 298 E N -0.017 120.175 120.200 -0.012 0.000 2.401 298 E HA -0.073 4.278 4.350 0.001 0.000 0.199 298 E C 1.766 178.315 176.600 -0.085 0.000 1.023 298 E CA 0.687 57.079 56.400 -0.014 0.000 0.859 298 E CB -0.260 29.455 29.700 0.025 0.000 0.780 298 E HN 0.431 nan 8.360 nan 0.000 0.523 299 V N 1.334 121.142 119.914 -0.176 0.000 2.261 299 V HA -0.328 3.793 4.120 0.001 0.000 0.246 299 V C 2.559 178.547 176.094 -0.177 0.000 1.047 299 V CA 2.137 64.266 62.300 -0.285 0.000 1.015 299 V CB -0.789 30.682 31.823 -0.586 0.000 0.642 299 V HN 0.407 nan 8.190 nan 0.000 0.446 300 S N 0.190 115.812 115.700 -0.130 0.000 2.351 300 S HA -0.377 4.093 4.470 0.001 0.000 0.220 300 S C 1.982 176.563 174.600 -0.032 0.000 1.035 300 S CA 1.961 60.122 58.200 -0.065 0.000 1.031 300 S CB -0.717 62.457 63.200 -0.043 0.000 0.928 300 S HN 0.498 nan 8.310 nan 0.000 0.433 301 Q N 1.325 121.109 119.800 -0.026 0.000 2.181 301 Q HA -0.081 4.259 4.340 0.001 0.000 0.205 301 Q C 2.054 178.051 176.000 -0.004 0.000 0.980 301 Q CA 1.941 57.739 55.803 -0.007 0.000 0.862 301 Q CB -0.457 28.280 28.738 -0.002 0.000 0.905 301 Q HN 0.716 nan 8.270 nan 0.000 0.429 302 E N -1.220 118.967 120.200 -0.022 0.000 2.107 302 E HA -0.072 4.278 4.350 0.001 0.000 0.191 302 E C 1.754 178.359 176.600 0.007 0.000 0.982 302 E CA 1.003 57.392 56.400 -0.018 0.000 0.809 302 E CB -0.200 29.469 29.700 -0.052 0.000 0.756 302 E HN 0.216 nan 8.360 nan 0.000 0.459 303 V N 0.608 120.527 119.914 0.008 0.000 2.392 303 V HA -0.311 3.810 4.120 0.001 0.000 0.249 303 V C 2.225 178.404 176.094 0.142 0.000 1.059 303 V CA 2.257 64.610 62.300 0.088 0.000 1.051 303 V CB -0.970 30.909 31.823 0.092 0.000 0.658 303 V HN 0.372 nan 8.190 nan 0.000 0.455 304 T N -0.256 114.339 114.554 0.067 0.000 2.708 304 T HA -0.194 4.156 4.350 0.001 0.000 0.266 304 T C 1.997 176.726 174.700 0.048 0.000 1.037 304 T CA 1.428 63.553 62.100 0.042 0.000 1.146 304 T CB -0.307 68.574 68.868 0.021 0.000 0.865 304 T HN 0.436 nan 8.240 nan 0.000 0.435 305 R N 1.153 121.681 120.500 0.048 0.000 2.170 305 R HA -0.064 4.276 4.340 0.001 0.000 0.242 305 R C 2.764 179.112 176.300 0.079 0.000 1.145 305 R CA 1.426 57.555 56.100 0.048 0.000 0.984 305 R CB -0.358 29.962 30.300 0.033 0.000 0.869 305 R HN 0.309 nan 8.270 nan 0.000 0.455 306 S N 0.919 116.695 115.700 0.127 0.000 2.362 306 S HA -0.008 4.462 4.470 0.001 0.000 0.221 306 S C 1.973 176.694 174.600 0.201 0.000 1.032 306 S CA 0.659 58.987 58.200 0.213 0.000 0.973 306 S CB -0.103 63.301 63.200 0.341 0.000 0.849 306 S HN 0.185 nan 8.310 nan 0.000 0.465 307 L N 1.600 122.852 121.223 0.050 0.000 1.989 307 L HA -0.170 4.171 4.340 0.001 0.000 0.211 307 L C 2.602 179.500 176.870 0.046 0.000 1.071 307 L CA 1.500 56.273 54.840 -0.112 0.000 0.749 307 L CB -0.502 41.419 42.059 -0.230 0.000 0.890 307 L HN 0.297 nan 8.230 nan 0.000 0.431 308 K N -0.312 120.111 120.400 0.038 0.000 2.286 308 K HA -0.265 4.056 4.320 0.001 0.000 0.203 308 K C 1.493 178.129 176.600 0.059 0.000 1.045 308 K CA 1.912 58.224 56.287 0.043 0.000 0.935 308 K CB 0.011 32.530 32.500 0.031 0.000 0.737 308 K HN 0.225 nan 8.250 nan 0.000 0.460 309 D N -1.043 119.411 120.400 0.090 0.000 2.355 309 D HA -0.035 4.606 4.640 0.001 0.000 0.206 309 D C 1.351 177.719 176.300 0.113 0.000 1.010 309 D CA 0.136 54.188 54.000 0.088 0.000 0.875 309 D CB 0.099 40.954 40.800 0.092 0.000 0.966 309 D HN 0.215 nan 8.370 nan 0.000 0.512 310 F N 1.013 120.966 119.950 0.004 0.000 2.118 310 F HA -0.053 4.475 4.527 0.001 0.000 0.293 310 F C 2.438 178.225 175.800 -0.021 0.000 1.102 310 F CA 1.813 59.810 58.000 -0.006 0.000 1.247 310 F CB -0.559 38.422 39.000 -0.031 0.000 1.017 310 F HN -0.026 nan 8.300 nan 0.000 0.475 311 S N -0.057 115.729 115.700 0.142 0.000 2.400 311 S HA -0.215 4.256 4.470 0.001 0.000 0.232 311 S C 1.905 176.485 174.600 -0.034 0.000 1.025 311 S CA 1.152 59.386 58.200 0.055 0.000 0.993 311 S CB -1.498 61.775 63.200 0.121 0.000 0.808 311 S HN 0.513 nan 8.310 nan 0.000 0.478 312 S N 0.881 116.566 115.700 -0.024 0.000 2.660 312 S HA 0.136 4.607 4.470 0.001 0.000 0.228 312 S C 1.544 176.107 174.600 -0.062 0.000 0.966 312 S CA 0.543 58.727 58.200 -0.027 0.000 0.940 312 S CB -0.338 62.860 63.200 -0.003 0.000 0.773 312 S HN 0.542 nan 8.310 nan 0.000 0.535 313 S N 0.833 116.450 115.700 -0.138 0.000 2.458 313 S HA 0.212 4.683 4.470 0.001 0.000 0.223 313 S C 0.546 175.078 174.600 -0.113 0.000 1.019 313 S CA 0.124 58.231 58.200 -0.155 0.000 0.937 313 S CB -0.080 62.946 63.200 -0.290 0.000 0.788 313 S HN 0.380 nan 8.310 nan 0.000 0.511 325 R N 0.116 120.613 120.500 -0.005 0.000 2.346 325 R HA 0.453 4.794 4.340 0.001 0.000 0.199 325 R C 0.968 177.265 176.300 -0.004 0.000 1.015 325 R CA 1.978 58.075 56.100 -0.004 0.000 1.058 325 R CB -1.821 28.477 30.300 -0.003 0.000 0.921 325 R HN 2.109 nan 8.270 nan 0.000 0.475 326 D N -0.281 120.116 120.400 -0.005 0.000 2.663 326 D HA 0.462 5.103 4.640 0.001 0.000 0.243 326 D C 1.704 178.001 176.300 -0.005 0.000 1.218 326 D CA 0.438 54.435 54.000 -0.004 0.000 0.846 326 D CB -0.609 40.189 40.800 -0.003 0.000 1.014 326 D HN 0.588 nan 8.370 nan 0.000 0.476 327 L N -1.383 119.836 121.223 -0.006 0.000 2.549 327 L HA 0.333 4.674 4.340 0.001 0.000 0.230 327 L C 2.976 179.842 176.870 -0.005 0.000 1.162 327 L CA 2.199 57.034 54.840 -0.008 0.000 0.834 327 L CB -1.618 40.436 42.059 -0.009 0.000 0.947 327 L HN 0.643 nan 8.230 nan 0.000 0.452 328 S N -0.648 115.050 115.700 -0.002 0.000 2.382 328 S HA -0.106 4.365 4.470 0.001 0.000 0.228 328 S C 2.256 176.858 174.600 0.003 0.000 1.027 328 S CA 2.264 60.465 58.200 0.001 0.000 0.991 328 S CB -0.389 62.813 63.200 0.002 0.000 0.823 328 S HN 1.071 nan 8.310 nan 0.000 0.469 329 Q N -0.896 118.905 119.800 0.001 0.000 2.331 329 Q HA 0.450 4.791 4.340 0.001 0.000 0.203 329 Q C 2.491 178.492 176.000 0.001 0.000 0.944 329 Q CA 1.792 57.597 55.803 0.004 0.000 0.892 329 Q CB -1.449 27.291 28.738 0.003 0.000 0.983 329 Q HN 1.011 nan 8.270 nan 0.000 0.482 330 M N -0.046 119.550 119.600 -0.008 0.000 2.200 330 M HA 0.349 4.830 4.480 0.001 0.000 0.265 330 M C 2.387 178.678 176.300 -0.015 0.000 1.066 330 M CA 1.864 57.153 55.300 -0.019 0.000 1.127 330 M CB -0.829 31.754 32.600 -0.028 0.000 1.379 330 M HN 0.580 nan 8.290 nan 0.000 0.420 331 L N -0.580 120.640 121.223 -0.005 0.000 2.240 331 L HA -0.069 4.271 4.340 0.001 0.000 0.211 331 L C 2.626 179.505 176.870 0.015 0.000 1.106 331 L CA 1.445 56.286 54.840 0.002 0.000 0.793 331 L CB -0.313 41.747 42.059 0.003 0.000 0.927 331 L HN 0.624 nan 8.230 nan 0.000 0.446 332 K N 0.133 120.544 120.400 0.018 0.000 2.148 332 K HA -0.167 4.153 4.320 0.001 0.000 0.204 332 K C 1.526 178.153 176.600 0.044 0.000 1.050 332 K CA 1.301 57.605 56.287 0.028 0.000 0.942 332 K CB 0.146 32.661 32.500 0.024 0.000 0.724 332 K HN 0.300 nan 8.250 nan 0.000 0.446 333 K N -0.336 120.093 120.400 0.048 0.000 2.374 333 K HA 0.102 4.422 4.320 0.001 0.000 0.196 333 K C 1.661 178.332 176.600 0.119 0.000 1.023 333 K CA -0.230 56.109 56.287 0.086 0.000 1.103 333 K CB 0.316 32.868 32.500 0.087 0.000 0.848 333 K HN 0.081 nan 8.250 nan 0.000 0.528 334 M N 0.863 120.506 119.600 0.072 0.000 2.067 334 M HA -0.075 4.406 4.480 0.001 0.000 0.260 334 M C -0.875 175.507 176.300 0.136 0.000 1.069 334 M CA 1.680 57.026 55.300 0.078 0.000 1.117 334 M CB -1.966 30.653 32.600 0.032 0.000 1.334 334 M HN -0.101 nan 8.290 nan 0.000 0.407 335 P HA -0.147 nan 4.420 nan 0.000 0.215 335 P C 1.591 178.968 177.300 0.129 0.000 1.157 335 P CA 1.329 64.489 63.100 0.099 0.000 0.868 335 P CB -0.263 31.479 31.700 0.069 0.000 0.788 336 Q N -1.970 117.914 119.800 0.141 0.000 2.135 336 Q HA -0.232 4.108 4.340 0.001 0.000 0.204 336 Q C 2.158 178.281 176.000 0.204 0.000 0.981 336 Q CA 1.474 57.368 55.803 0.152 0.000 0.856 336 Q CB -0.754 28.073 28.738 0.149 0.000 0.902 336 Q HN 0.320 nan 8.270 nan 0.000 0.425 337 Y N 1.569 121.946 120.300 0.129 0.000 2.145 337 Y HA -0.275 4.275 4.550 0.000 0.000 0.286 337 Y C 2.282 178.256 175.900 0.124 0.000 1.145 337 Y CA 1.864 60.067 58.100 0.173 0.000 1.148 337 Y CB 0.114 38.659 38.460 0.142 0.000 0.981 337 Y HN 0.124 nan 8.280 nan 0.000 0.507 338 Q N -0.165 119.790 119.800 0.259 0.000 2.226 338 Q HA -0.197 4.144 4.340 0.001 0.000 0.204 338 Q C 2.040 178.094 176.000 0.090 0.000 0.975 338 Q CA 1.490 57.386 55.803 0.155 0.000 0.866 338 Q CB -0.103 28.710 28.738 0.126 0.000 0.915 338 Q HN 0.467 nan 8.270 nan 0.000 0.440 339 K N 0.508 120.960 120.400 0.087 0.000 2.001 339 K HA -0.139 4.181 4.320 0.001 0.000 0.208 339 K C 2.025 178.647 176.600 0.037 0.000 1.048 339 K CA 0.981 57.304 56.287 0.060 0.000 0.932 339 K CB 0.027 32.566 32.500 0.065 0.000 0.715 339 K HN 0.135 nan 8.250 nan 0.000 0.437 340 E N 1.191 121.397 120.200 0.011 0.000 2.058 340 E HA -0.183 4.168 4.350 0.001 0.000 0.194 340 E C 2.179 178.789 176.600 0.018 0.000 0.997 340 E CA 1.049 57.419 56.400 -0.050 0.000 0.801 340 E CB -0.283 29.281 29.700 -0.225 0.000 0.746 340 E HN 0.279 nan 8.360 nan 0.000 0.450 341 L N 0.622 121.818 121.223 -0.045 0.000 2.012 341 L HA -0.213 4.127 4.340 0.001 0.000 0.210 341 L C 2.728 179.658 176.870 0.100 0.000 1.073 341 L CA 1.247 56.097 54.840 0.016 0.000 0.748 341 L CB -0.493 41.567 42.059 0.003 0.000 0.891 341 L HN 0.116 nan 8.230 nan 0.000 0.431 342 S N -0.383 115.363 115.700 0.076 0.000 2.387 342 S HA -0.220 4.251 4.470 0.001 0.000 0.230 342 S C 1.959 176.618 174.600 0.099 0.000 1.035 342 S CA 1.514 59.762 58.200 0.080 0.000 1.014 342 S CB -0.019 63.214 63.200 0.055 0.000 0.836 342 S HN 0.352 nan 8.310 nan 0.000 0.466 343 K N -0.862 119.591 120.400 0.088 0.000 2.103 343 K HA -0.017 4.304 4.320 0.001 0.000 0.204 343 K C 1.854 178.547 176.600 0.155 0.000 1.052 343 K CA 1.259 57.608 56.287 0.103 0.000 0.945 343 K CB -0.326 32.201 32.500 0.045 0.000 0.722 343 K HN 0.445 nan 8.250 nan 0.000 0.443 344 Y N 1.381 121.717 120.300 0.059 0.000 2.256 344 Y HA -0.251 4.300 4.550 0.000 0.000 0.288 344 Y C 2.755 178.708 175.900 0.088 0.000 1.155 344 Y CA 1.722 59.845 58.100 0.039 0.000 1.203 344 Y CB -0.041 38.371 38.460 -0.081 0.000 0.980 344 Y HN 0.165 nan 8.280 nan 0.000 0.530 345 S N -2.470 113.366 115.700 0.225 0.000 2.458 345 S HA -0.085 4.386 4.470 0.001 0.000 0.223 345 S C 1.871 176.567 174.600 0.160 0.000 1.019 345 S CA 0.901 59.207 58.200 0.176 0.000 0.937 345 S CB -0.632 62.655 63.200 0.145 0.000 0.788 345 S HN 0.285 nan 8.310 nan 0.000 0.511 346 T N 2.088 116.731 114.554 0.148 0.000 2.684 346 T HA -0.119 4.232 4.350 0.001 0.000 0.267 346 T C 1.621 176.324 174.700 0.006 0.000 1.036 346 T CA 1.732 63.877 62.100 0.075 0.000 1.148 346 T CB -0.618 68.267 68.868 0.028 0.000 0.863 346 T HN 0.572 nan 8.240 nan 0.000 0.436 347 H N 0.651 119.800 119.070 0.133 0.000 2.423 347 H HA 0.114 4.670 4.556 0.001 0.000 0.297 347 H C 2.381 177.817 175.328 0.180 0.000 1.075 347 H CA 0.816 56.990 56.048 0.210 0.000 1.342 347 H CB -0.263 29.636 29.762 0.228 0.000 1.395 347 H HN 0.292 nan 8.280 nan 0.000 0.530 348 L N -0.198 121.155 121.223 0.217 0.000 2.017 348 L HA -0.206 4.134 4.340 0.001 0.000 0.208 348 L C 2.528 179.444 176.870 0.078 0.000 1.073 348 L CA 1.399 56.309 54.840 0.118 0.000 0.745 348 L CB -0.561 41.565 42.059 0.111 0.000 0.894 348 L HN 0.292 nan 8.230 nan 0.000 0.432 349 H N -0.496 118.554 119.070 -0.033 0.000 2.489 349 H HA -0.175 4.381 4.556 -0.000 0.000 0.293 349 H C 1.868 177.137 175.328 -0.099 0.000 1.066 349 H CA 1.099 57.074 56.048 -0.122 0.000 1.305 349 H CB 0.292 29.846 29.762 -0.348 0.000 1.386 349 H HN 0.114 nan 8.280 nan 0.000 0.551 350 L N -0.150 121.094 121.223 0.034 0.000 2.068 350 L HA 0.116 4.457 4.340 0.001 0.000 0.204 350 L C 2.436 179.378 176.870 0.119 0.000 1.076 350 L CA 1.712 56.542 54.840 -0.018 0.000 0.753 350 L CB -1.158 40.867 42.059 -0.057 0.000 0.910 350 L HN 0.285 nan 8.230 nan 0.000 0.439 351 A N -0.660 122.271 122.820 0.185 0.000 1.908 351 A HA -0.292 4.029 4.320 0.001 0.000 0.218 351 A C 2.317 179.884 177.584 -0.028 0.000 1.181 351 A CA 1.958 53.986 52.037 -0.015 0.000 0.627 351 A CB -0.797 18.048 19.000 -0.259 0.000 0.818 351 A HN 0.640 nan 8.150 nan 0.000 0.445 352 E N -0.454 119.715 120.200 -0.052 0.000 2.077 352 E HA -0.278 4.073 4.350 0.001 0.000 0.193 352 E C 1.633 178.210 176.600 -0.039 0.000 0.989 352 E CA 1.423 57.781 56.400 -0.070 0.000 0.800 352 E CB -0.234 29.376 29.700 -0.151 0.000 0.746 352 E HN 0.497 nan 8.360 nan 0.000 0.452 353 D N -0.127 120.235 120.400 -0.063 0.000 2.149 353 D HA -0.142 4.499 4.640 0.001 0.000 0.198 353 D C 1.867 178.220 176.300 0.088 0.000 0.990 353 D CA 1.063 55.078 54.000 0.025 0.000 0.839 353 D CB -0.289 40.525 40.800 0.023 0.000 0.948 353 D HN 0.271 nan 8.370 nan 0.000 0.460 354 C N -0.164 119.163 119.300 0.045 0.000 2.436 354 C HA -0.092 4.368 4.460 0.001 0.000 0.277 354 C C 2.831 177.914 174.990 0.156 0.000 1.241 354 C CA 0.624 59.686 59.018 0.073 0.000 1.721 354 C CB -1.053 26.730 27.740 0.073 0.000 2.043 354 C HN 0.421 nan 8.230 nan 0.000 0.472 355 M N 0.722 120.393 119.600 0.118 0.000 2.082 355 M HA -0.222 4.258 4.480 0.001 0.000 0.258 355 M C 2.229 178.642 176.300 0.189 0.000 1.069 355 M CA 1.855 57.256 55.300 0.168 0.000 1.102 355 M CB -0.625 32.032 32.600 0.094 0.000 1.336 355 M HN 0.376 nan 8.290 nan 0.000 0.404 356 K N -0.633 119.856 120.400 0.149 0.000 2.063 356 K HA -0.195 4.126 4.320 0.001 0.000 0.208 356 K C 1.727 178.389 176.600 0.103 0.000 1.048 356 K CA 1.603 57.956 56.287 0.109 0.000 0.928 356 K CB -0.335 32.225 32.500 0.100 0.000 0.713 356 K HN 0.413 nan 8.250 nan 0.000 0.442 357 H N -1.835 117.284 119.070 0.083 0.000 2.502 357 H HA -0.080 4.477 4.556 0.002 0.000 0.283 357 H C 0.982 176.390 175.328 0.133 0.000 1.015 357 H CA 0.832 56.936 56.048 0.093 0.000 1.298 357 H CB 0.054 29.874 29.762 0.096 0.000 1.411 357 H HN 0.221 nan 8.280 nan 0.000 0.556 358 Y N 2.358 122.737 120.300 0.131 0.000 2.470 358 Y HA 0.007 4.557 4.550 0.001 0.000 0.284 358 Y C 2.124 178.048 175.900 0.041 0.000 1.188 358 Y CA -0.284 57.864 58.100 0.080 0.000 1.269 358 Y CB 0.004 38.507 38.460 0.071 0.000 1.094 358 Y HN 0.215 nan 8.280 nan 0.000 0.518 359 Q N -0.127 119.626 119.800 -0.078 0.000 2.014 359 Q HA -0.105 4.235 4.340 0.001 0.000 0.207 359 Q C 1.482 177.339 176.000 -0.239 0.000 0.993 359 Q CA 2.272 57.994 55.803 -0.134 0.000 0.850 359 Q CB -1.053 27.645 28.738 -0.067 0.000 0.916 359 Q HN 0.475 nan 8.270 nan 0.000 0.417 360 G N 0.023 108.700 108.800 -0.204 0.000 2.561 360 G HA2 -0.022 3.938 3.960 0.001 0.000 0.197 360 G HA3 -0.022 3.938 3.960 0.001 0.000 0.197 360 G C 1.450 176.242 174.900 -0.180 0.000 1.250 360 G CA 0.840 45.832 45.100 -0.180 0.000 0.703 360 G HN 0.517 nan 8.290 nan 0.000 0.625 361 T N 0.799 115.279 114.554 -0.123 0.000 2.622 361 T HA -0.158 4.193 4.350 0.001 0.000 0.266 361 T C 2.311 176.940 174.700 -0.118 0.000 1.047 361 T CA 2.081 64.124 62.100 -0.095 0.000 1.159 361 T CB -0.932 67.905 68.868 -0.052 0.000 0.863 361 T HN 0.028 nan 8.240 nan 0.000 0.422 362 V N 2.950 122.803 119.914 -0.102 0.000 2.317 362 V HA -0.260 3.861 4.120 0.001 0.000 0.251 362 V C 2.660 178.698 176.094 -0.094 0.000 1.065 362 V CA 2.340 64.601 62.300 -0.066 0.000 1.049 362 V CB -1.228 30.687 31.823 0.154 0.000 0.651 362 V HN 0.571 nan 8.190 nan 0.000 0.450 363 D N 0.210 120.406 120.400 -0.341 0.000 2.106 363 D HA -0.258 4.382 4.640 0.001 0.000 0.191 363 D C 2.226 178.477 176.300 -0.081 0.000 0.997 363 D CA 2.026 55.842 54.000 -0.307 0.000 0.834 363 D CB -0.222 40.293 40.800 -0.476 0.000 0.956 363 D HN 0.434 nan 8.370 nan 0.000 0.448 364 K N -0.396 119.940 120.400 -0.107 0.000 2.057 364 K HA -0.099 4.222 4.320 0.001 0.000 0.207 364 K C 2.386 178.949 176.600 -0.062 0.000 1.049 364 K CA 0.853 57.101 56.287 -0.066 0.000 0.931 364 K CB -0.144 32.316 32.500 -0.067 0.000 0.714 364 K HN 0.205 nan 8.250 nan 0.000 0.440 365 L N 0.556 121.714 121.223 -0.108 0.000 1.970 365 L HA -0.300 4.041 4.340 0.001 0.000 0.212 365 L C 2.740 179.542 176.870 -0.113 0.000 1.071 365 L CA 1.546 56.292 54.840 -0.156 0.000 0.751 365 L CB -0.868 40.983 42.059 -0.346 0.000 0.889 365 L HN 0.389 nan 8.230 nan 0.000 0.432 366 C N -0.536 118.711 119.300 -0.089 0.000 2.391 366 C HA -0.231 4.229 4.460 0.001 0.000 0.276 366 C C 3.016 178.037 174.990 0.051 0.000 1.217 366 C CA 1.112 60.145 59.018 0.026 0.000 1.766 366 C CB -1.193 26.633 27.740 0.143 0.000 2.046 366 C HN 0.485 nan 8.230 nan 0.000 0.475 367 R N 0.783 121.311 120.500 0.046 0.000 2.097 367 R HA -0.163 4.177 4.340 0.001 0.000 0.236 367 R C 2.044 178.364 176.300 0.033 0.000 1.135 367 R CA 2.411 58.540 56.100 0.047 0.000 0.934 367 R CB -0.430 29.889 30.300 0.032 0.000 0.846 367 R HN 0.400 nan 8.270 nan 0.000 0.431 368 V N 1.427 121.347 119.914 0.010 0.000 2.261 368 V HA -0.230 3.891 4.120 0.001 0.000 0.246 368 V C 2.188 178.291 176.094 0.014 0.000 1.047 368 V CA 2.218 64.523 62.300 0.009 0.000 1.015 368 V CB -0.648 31.169 31.823 -0.009 0.000 0.642 368 V HN 0.454 nan 8.190 nan 0.000 0.446 369 E N -0.295 119.907 120.200 0.004 0.000 2.097 369 E HA -0.289 4.061 4.350 0.001 0.000 0.196 369 E C 2.377 178.982 176.600 0.007 0.000 1.000 369 E CA 1.413 57.813 56.400 -0.000 0.000 0.804 369 E CB -0.221 29.484 29.700 0.009 0.000 0.740 369 E HN 0.535 nan 8.360 nan 0.000 0.454 370 Q N 0.704 120.530 119.800 0.043 0.000 2.135 370 Q HA -0.175 4.165 4.340 0.001 0.000 0.204 370 Q C 1.656 177.707 176.000 0.085 0.000 0.981 370 Q CA 1.353 57.206 55.803 0.082 0.000 0.856 370 Q CB -0.239 28.564 28.738 0.108 0.000 0.902 370 Q HN 0.314 nan 8.270 nan 0.000 0.425 371 D N 0.116 120.554 120.400 0.063 0.000 2.117 371 D HA -0.070 4.570 4.640 0.001 0.000 0.198 371 D C 2.046 178.380 176.300 0.056 0.000 0.982 371 D CA 0.628 54.665 54.000 0.061 0.000 0.828 371 D CB -0.183 40.647 40.800 0.049 0.000 0.967 371 D HN 0.167 nan 8.370 nan 0.000 0.464 372 L N 0.272 121.518 121.223 0.039 0.000 2.093 372 L HA -0.065 4.275 4.340 0.001 0.000 0.208 372 L C 2.328 179.203 176.870 0.008 0.000 1.085 372 L CA 1.025 55.880 54.840 0.026 0.000 0.755 372 L CB -0.325 41.748 42.059 0.023 0.000 0.904 372 L HN 0.011 nan 8.230 nan 0.000 0.435 373 A N -0.894 121.916 122.820 -0.016 0.000 1.970 373 A HA -0.075 4.246 4.320 0.001 0.000 0.216 373 A C 2.180 179.895 177.584 0.219 0.000 1.170 373 A CA 1.002 52.997 52.037 -0.071 0.000 0.645 373 A CB -0.123 18.642 19.000 -0.391 0.000 0.816 373 A HN 0.250 nan 8.150 nan 0.000 0.447 374 M N -1.645 118.086 119.600 0.218 0.000 2.509 374 M HA 0.151 4.632 4.480 0.001 0.000 0.250 374 M C 1.646 178.027 176.300 0.134 0.000 1.132 374 M CA 0.923 56.360 55.300 0.228 0.000 1.080 374 M CB -0.685 32.030 32.600 0.193 0.000 1.408 374 M HN 0.687 nan 8.290 nan 0.000 0.484 375 G N 1.898 110.756 108.800 0.097 0.000 2.196 375 G HA2 -0.264 3.697 3.960 0.001 0.000 0.268 375 G HA3 -0.264 3.697 3.960 0.001 0.000 0.268 375 G C 0.349 175.281 174.900 0.052 0.000 0.975 375 G CA 1.025 46.161 45.100 0.061 0.000 0.648 375 G HN 0.583 nan 8.290 nan 0.000 0.538 376 T N -1.277 113.314 114.554 0.063 0.000 2.933 376 T HA 0.561 4.912 4.350 0.001 0.000 0.305 376 T C -0.410 174.322 174.700 0.055 0.000 1.092 376 T CA 0.018 62.149 62.100 0.051 0.000 1.008 376 T CB 2.544 71.439 68.868 0.046 0.000 1.102 376 T HN 0.427 nan 8.240 nan 0.000 0.469 377 D N 1.681 122.107 120.400 0.044 0.000 2.369 377 D HA 0.394 5.035 4.640 0.001 0.000 0.241 377 D C 1.669 177.996 176.300 0.045 0.000 1.271 377 D CA -0.257 53.769 54.000 0.044 0.000 0.942 377 D CB 0.110 40.930 40.800 0.034 0.000 1.129 377 D HN 0.692 nan 8.370 nan 0.000 0.476 378 A N -0.184 122.663 122.820 0.046 0.000 2.024 378 A HA -0.223 4.097 4.320 0.001 0.000 0.220 378 A C 1.901 179.503 177.584 0.030 0.000 1.164 378 A CA 1.492 53.555 52.037 0.044 0.000 0.643 378 A CB -0.820 18.208 19.000 0.046 0.000 0.806 378 A HN 0.688 nan 8.150 nan 0.000 0.451 379 E N -1.973 118.243 120.200 0.026 0.000 2.150 379 E HA 0.123 4.473 4.350 0.001 0.000 0.193 379 E C 1.543 178.153 176.600 0.016 0.000 0.985 379 E CA 0.635 57.045 56.400 0.018 0.000 0.814 379 E CB -0.116 29.593 29.700 0.015 0.000 0.752 379 E HN 0.741 nan 8.360 nan 0.000 0.466 380 G N 0.833 109.646 108.800 0.022 0.000 2.481 380 G HA2 -0.195 3.766 3.960 0.001 0.000 0.200 380 G HA3 -0.195 3.766 3.960 0.001 0.000 0.200 380 G C -0.030 174.881 174.900 0.020 0.000 1.012 380 G CA -0.275 44.837 45.100 0.020 0.000 0.676 380 G HN 0.155 nan 8.290 nan 0.000 0.488 381 E N 1.705 121.916 120.200 0.018 0.000 2.413 381 E HA 0.437 4.788 4.350 0.001 0.000 0.263 381 E C 0.750 177.363 176.600 0.021 0.000 1.015 381 E CA 0.019 56.429 56.400 0.017 0.000 0.916 381 E CB 0.681 30.389 29.700 0.014 0.000 0.947 381 E HN 0.530 nan 8.360 nan 0.000 0.440 382 K N 1.923 122.335 120.400 0.019 0.000 2.455 382 K HA -0.013 4.308 4.320 0.001 0.000 0.269 382 K C -0.086 176.528 176.600 0.022 0.000 0.972 382 K CA -0.355 55.945 56.287 0.021 0.000 0.938 382 K CB 0.334 32.844 32.500 0.017 0.000 0.931 382 K HN 0.429 nan 8.250 nan 0.000 0.507 383 I N 3.522 124.107 120.570 0.025 0.000 2.325 383 I HA 0.062 4.233 4.170 0.001 0.000 0.291 383 I C 0.636 176.768 176.117 0.024 0.000 1.019 383 I CA 0.067 61.383 61.300 0.027 0.000 1.302 383 I CB 0.955 38.975 38.000 0.034 0.000 1.401 383 I HN 0.687 nan 8.210 nan 0.000 0.485 384 K N 3.847 124.260 120.400 0.023 0.000 1.963 384 K HA -0.080 4.241 4.320 0.001 0.000 0.216 384 K C 0.096 176.711 176.600 0.026 0.000 1.045 384 K CA 1.336 57.635 56.287 0.020 0.000 0.954 384 K CB -0.063 32.447 32.500 0.017 0.000 0.732 384 K HN 0.595 nan 8.250 nan 0.000 0.442 385 D N -0.353 120.066 120.400 0.031 0.000 2.420 385 D HA 0.185 4.825 4.640 0.001 0.000 0.255 385 D C -2.263 174.073 176.300 0.061 0.000 1.185 385 D CA -2.289 51.736 54.000 0.042 0.000 0.904 385 D CB 1.525 42.340 40.800 0.027 0.000 1.102 385 D HN -0.179 nan 8.370 nan 0.000 0.534 386 P HA -0.113 nan 4.420 nan 0.000 0.216 386 P C 1.639 179.039 177.300 0.167 0.000 1.153 386 P CA 0.675 63.877 63.100 0.171 0.000 0.848 386 P CB 0.184 32.029 31.700 0.242 0.000 0.787 387 M N -0.372 119.349 119.600 0.202 0.000 2.143 387 M HA -0.223 4.258 4.480 0.001 0.000 0.258 387 M C 2.191 178.424 176.300 -0.112 0.000 1.071 387 M CA 1.841 57.102 55.300 -0.065 0.000 1.088 387 M CB -0.629 31.968 32.600 -0.005 0.000 1.360 387 M HN -0.270 nan 8.290 nan 0.000 0.404 388 R N -0.733 119.744 120.500 -0.038 0.000 2.075 388 R HA 0.049 4.390 4.340 0.001 0.000 0.226 388 R C 2.018 178.293 176.300 -0.041 0.000 1.114 388 R CA 1.232 57.306 56.100 -0.044 0.000 0.972 388 R CB -0.464 29.825 30.300 -0.017 0.000 0.869 388 R HN 0.457 nan 8.270 nan 0.000 0.437 389 A N 0.459 123.268 122.820 -0.018 0.000 2.131 389 A HA -0.099 4.221 4.320 0.001 0.000 0.220 389 A C 1.925 179.488 177.584 -0.036 0.000 1.158 389 A CA 1.096 53.125 52.037 -0.014 0.000 0.665 389 A CB -0.346 18.661 19.000 0.011 0.000 0.795 389 A HN 0.403 nan 8.150 nan 0.000 0.460 390 I N -1.357 119.168 120.570 -0.074 0.000 3.265 390 I HA -0.077 4.093 4.170 0.001 0.000 0.282 390 I C 2.020 178.069 176.117 -0.113 0.000 1.207 390 I CA 0.215 61.449 61.300 -0.110 0.000 1.449 390 I CB 0.195 38.073 38.000 -0.203 0.000 1.121 390 I HN 0.116 nan 8.210 nan 0.000 0.442 391 V N 2.369 122.214 119.914 -0.115 0.000 2.282 391 V HA -0.214 3.907 4.120 0.001 0.000 0.249 391 V C -0.310 175.758 176.094 -0.044 0.000 1.057 391 V CA 2.322 64.565 62.300 -0.095 0.000 1.032 391 V CB -2.005 29.766 31.823 -0.087 0.000 0.645 391 V HN 0.317 nan 8.190 nan 0.000 0.447 392 P HA -0.138 nan 4.420 nan 0.000 0.214 392 P C 1.895 179.182 177.300 -0.021 0.000 1.163 392 P CA 1.471 64.559 63.100 -0.021 0.000 0.883 392 P CB -0.110 31.577 31.700 -0.022 0.000 0.788 393 I N -0.946 119.605 120.570 -0.031 0.000 2.118 393 I HA -0.223 3.948 4.170 0.001 0.000 0.241 393 I C 2.287 178.391 176.117 -0.022 0.000 1.070 393 I CA 1.755 63.037 61.300 -0.030 0.000 1.327 393 I CB -1.614 36.363 38.000 -0.039 0.000 1.034 393 I HN -0.014 nan 8.210 nan 0.000 0.405 394 L N -0.136 121.070 121.223 -0.029 0.000 2.456 394 L HA -0.127 4.214 4.340 0.001 0.000 0.224 394 L C 2.183 179.061 176.870 0.013 0.000 1.148 394 L CA 0.703 55.534 54.840 -0.015 0.000 0.825 394 L CB -0.315 41.724 42.059 -0.034 0.000 0.937 394 L HN 0.268 nan 8.230 nan 0.000 0.450 395 L N -1.308 119.923 121.223 0.013 0.000 2.640 395 L HA 0.112 4.452 4.340 0.001 0.000 0.230 395 L C 0.538 177.411 176.870 0.005 0.000 1.123 395 L CA -0.139 54.714 54.840 0.021 0.000 0.900 395 L CB 0.072 42.150 42.059 0.033 0.000 1.146 395 L HN 0.058 nan 8.230 nan 0.000 0.484 396 D N 1.225 121.624 120.400 -0.001 0.000 2.359 396 D HA 0.131 4.771 4.640 0.001 0.000 0.250 396 D C 1.049 177.348 176.300 -0.001 0.000 1.264 396 D CA 0.087 54.084 54.000 -0.005 0.000 0.911 396 D CB 1.766 42.559 40.800 -0.010 0.000 1.056 396 D HN 0.130 nan 8.370 nan 0.000 0.499 397 A N 4.348 127.167 122.820 -0.002 0.000 2.178 397 A HA -0.192 4.128 4.320 0.001 0.000 0.218 397 A C 1.559 179.144 177.584 0.002 0.000 1.157 397 A CA 0.616 52.653 52.037 0.000 0.000 0.689 397 A CB -0.203 18.795 19.000 -0.003 0.000 0.787 397 A HN 0.480 nan 8.150 nan 0.000 0.465 398 N N -0.043 118.656 118.700 -0.002 0.000 2.575 398 N HA 0.280 5.021 4.740 0.001 0.000 0.275 398 N C -1.236 174.275 175.510 0.002 0.000 1.202 398 N CA 0.137 53.186 53.050 -0.002 0.000 0.945 398 N CB 0.110 38.591 38.487 -0.010 0.000 1.247 398 N HN 0.021 nan 8.380 nan 0.000 0.510 399 V N 0.573 120.494 119.914 0.011 0.000 2.686 399 V HA 0.348 4.468 4.120 0.001 0.000 0.306 399 V C -0.163 175.956 176.094 0.041 0.000 1.065 399 V CA -1.095 61.219 62.300 0.023 0.000 0.894 399 V CB 1.822 33.655 31.823 0.016 0.000 1.004 399 V HN 0.397 nan 8.190 nan 0.000 0.424 400 S N 2.566 118.302 115.700 0.060 0.000 2.568 400 S HA 0.047 4.517 4.470 0.001 0.000 0.282 400 S C 1.272 175.939 174.600 0.112 0.000 1.338 400 S CA 0.362 58.610 58.200 0.079 0.000 1.045 400 S CB 1.016 64.268 63.200 0.086 0.000 0.873 400 S HN 0.772 nan 8.310 nan 0.000 0.516 401 T N 1.851 116.484 114.554 0.131 0.000 2.665 401 T HA -0.173 4.177 4.350 0.001 0.000 0.268 401 T C 1.219 176.047 174.700 0.213 0.000 1.035 401 T CA 2.097 64.292 62.100 0.159 0.000 1.151 401 T CB -0.789 68.191 68.868 0.187 0.000 0.862 401 T HN 0.711 nan 8.240 nan 0.000 0.438 402 Y N 1.229 121.545 120.300 0.028 0.000 2.207 402 Y HA -0.194 4.356 4.550 0.001 0.000 0.287 402 Y C 2.575 178.500 175.900 0.043 0.000 1.156 402 Y CA 0.799 58.917 58.100 0.029 0.000 1.182 402 Y CB -0.149 38.328 38.460 0.027 0.000 0.979 402 Y HN 0.204 nan 8.280 nan 0.000 0.521 403 D N 0.040 120.571 120.400 0.218 0.000 2.084 403 D HA -0.159 4.481 4.640 0.001 0.000 0.194 403 D C 1.930 178.287 176.300 0.095 0.000 0.990 403 D CA 1.428 55.533 54.000 0.175 0.000 0.826 403 D CB -0.240 40.655 40.800 0.159 0.000 0.971 403 D HN 0.244 nan 8.370 nan 0.000 0.453 404 K N 0.189 120.627 120.400 0.064 0.000 2.074 404 K HA -0.114 4.207 4.320 0.001 0.000 0.209 404 K C 2.286 178.878 176.600 -0.013 0.000 1.048 404 K CA 0.780 57.078 56.287 0.017 0.000 0.926 404 K CB -0.141 32.368 32.500 0.016 0.000 0.713 404 K HN 0.210 nan 8.250 nan 0.000 0.444 405 I N 0.856 121.414 120.570 -0.020 0.000 2.142 405 I HA -0.294 3.877 4.170 0.001 0.000 0.240 405 I C 2.481 178.550 176.117 -0.080 0.000 1.078 405 I CA 1.253 62.509 61.300 -0.075 0.000 1.343 405 I CB -0.322 37.593 38.000 -0.142 0.000 1.046 405 I HN 0.176 nan 8.210 nan 0.000 0.405 406 R N 0.600 121.076 120.500 -0.039 0.000 2.119 406 R HA -0.208 4.132 4.340 0.001 0.000 0.246 406 R C 2.286 178.561 176.300 -0.042 0.000 1.146 406 R CA 1.624 57.712 56.100 -0.021 0.000 0.962 406 R CB -0.505 29.829 30.300 0.057 0.000 0.863 406 R HN 0.419 nan 8.270 nan 0.000 0.442 407 I N 0.562 121.117 120.570 -0.025 0.000 2.202 407 I HA -0.279 3.891 4.170 0.001 0.000 0.242 407 I C 2.405 178.476 176.117 -0.077 0.000 1.091 407 I CA 1.225 62.501 61.300 -0.040 0.000 1.368 407 I CB -0.225 37.756 38.000 -0.031 0.000 1.058 407 I HN 0.148 nan 8.210 nan 0.000 0.410 408 I N 0.706 121.217 120.570 -0.099 0.000 2.118 408 I HA -0.368 3.802 4.170 0.001 0.000 0.241 408 I C 2.536 178.541 176.117 -0.187 0.000 1.070 408 I CA 1.712 62.942 61.300 -0.118 0.000 1.327 408 I CB -0.453 37.476 38.000 -0.118 0.000 1.034 408 I HN 0.232 nan 8.210 nan 0.000 0.405 409 L N 0.239 121.274 121.223 -0.313 0.000 1.990 409 L HA -0.281 4.060 4.340 0.001 0.000 0.213 409 L C 2.596 178.834 176.870 -1.054 0.000 1.072 409 L CA 1.596 55.993 54.840 -0.738 0.000 0.755 409 L CB -0.741 40.988 42.059 -0.551 0.000 0.889 409 L HN 0.266 nan 8.230 nan 0.000 0.432 410 L N -1.635 119.306 121.223 -0.471 0.000 2.081 410 L HA -0.286 4.055 4.340 0.001 0.000 0.212 410 L C 2.613 179.398 176.870 -0.142 0.000 1.080 410 L CA 1.410 56.124 54.840 -0.210 0.000 0.754 410 L CB -0.643 41.366 42.059 -0.084 0.000 0.893 410 L HN 0.254 nan 8.230 nan 0.000 0.433 411 Y N 0.562 120.717 120.300 -0.241 0.000 2.163 411 Y HA -0.219 4.331 4.550 0.001 0.000 0.288 411 Y C 2.388 178.192 175.900 -0.159 0.000 1.136 411 Y CA 1.472 59.477 58.100 -0.157 0.000 1.147 411 Y CB -0.082 38.295 38.460 -0.139 0.000 0.987 411 Y HN -0.014 nan 8.280 nan 0.000 0.509 412 I N -0.489 119.974 120.570 -0.179 0.000 2.127 412 I HA -0.358 3.813 4.170 0.001 0.000 0.241 412 I C 2.198 178.243 176.117 -0.119 0.000 1.075 412 I CA 1.764 62.942 61.300 -0.203 0.000 1.334 412 I CB -0.689 37.179 38.000 -0.219 0.000 1.040 412 I HN 0.210 nan 8.210 nan 0.000 0.405 413 F N 0.129 120.028 119.950 -0.085 0.000 2.126 413 F HA -0.292 4.235 4.527 0.001 0.000 0.299 413 F C 2.532 178.266 175.800 -0.110 0.000 1.096 413 F CA 0.565 58.511 58.000 -0.090 0.000 1.255 413 F CB -0.361 38.580 39.000 -0.099 0.000 0.997 413 F HN 0.127 nan 8.300 nan 0.000 0.479 414 L N 0.886 122.118 121.223 0.015 0.000 1.994 414 L HA -0.173 4.168 4.340 0.001 0.000 0.208 414 L C 1.915 178.704 176.870 -0.135 0.000 1.071 414 L CA 1.953 56.752 54.840 -0.068 0.000 0.745 414 L CB -0.617 41.367 42.059 -0.125 0.000 0.892 414 L HN 0.076 nan 8.230 nan 0.000 0.431 415 K N 0.958 121.189 120.400 -0.282 0.000 2.522 415 K HA -0.044 4.277 4.320 0.001 0.000 0.194 415 K C 0.336 176.866 176.600 -0.118 0.000 1.026 415 K CA -0.099 56.032 56.287 -0.260 0.000 1.119 415 K CB -0.936 31.291 32.500 -0.456 0.000 0.856 415 K HN 0.352 nan 8.250 nan 0.000 0.513 416 N N 1.176 119.848 118.700 -0.047 0.000 2.707 416 N HA -0.212 4.529 4.740 0.001 0.000 0.253 416 N C -0.244 175.272 175.510 0.009 0.000 0.998 416 N CA 1.362 54.418 53.050 0.010 0.000 0.751 416 N CB -1.039 37.452 38.487 0.005 0.000 0.920 416 N HN 0.573 nan 8.380 nan 0.000 0.539 417 G N -1.364 107.441 108.800 0.008 0.000 2.697 417 G HA2 0.209 4.170 3.960 0.001 0.000 0.686 417 G HA3 0.209 4.170 3.960 0.001 0.000 0.686 417 G C -0.359 174.533 174.900 -0.012 0.000 1.179 417 G CA -0.374 44.732 45.100 0.011 0.000 0.765 417 G HN 1.122 nan 8.290 nan 0.000 0.649 418 I N -2.172 118.402 120.570 0.007 0.000 3.354 418 I HA 0.960 5.130 4.170 0.001 0.000 0.316 418 I C 0.416 176.547 176.117 0.023 0.000 1.182 418 I CA -0.607 60.705 61.300 0.021 0.000 0.942 418 I CB 1.936 39.977 38.000 0.068 0.000 1.299 418 I HN 1.166 nan 8.210 nan 0.000 0.473 419 T N -1.791 112.780 114.554 0.028 0.000 2.856 419 T HA 0.299 4.649 4.350 0.001 0.000 0.292 419 T C 0.743 175.454 174.700 0.018 0.000 0.980 419 T CA 0.058 62.169 62.100 0.020 0.000 1.091 419 T CB 1.276 70.155 68.868 0.018 0.000 0.936 419 T HN 0.929 nan 8.240 nan 0.000 0.503 420 E N 1.910 122.117 120.200 0.013 0.000 2.086 420 E HA -0.266 4.085 4.350 0.001 0.000 0.200 420 E C 1.743 178.350 176.600 0.011 0.000 1.012 420 E CA 2.006 58.413 56.400 0.011 0.000 0.812 420 E CB -0.043 29.662 29.700 0.009 0.000 0.743 420 E HN 0.903 nan 8.360 nan 0.000 0.453 421 E N 0.013 120.220 120.200 0.011 0.000 2.038 421 E HA -0.217 4.133 4.350 0.001 0.000 0.195 421 E C 2.117 178.723 176.600 0.009 0.000 1.000 421 E CA 1.224 57.631 56.400 0.011 0.000 0.803 421 E CB -0.180 29.526 29.700 0.011 0.000 0.750 421 E HN 0.217 nan 8.360 nan 0.000 0.448 422 N N 0.736 119.442 118.700 0.010 0.000 2.137 422 N HA -0.170 4.571 4.740 0.001 0.000 0.190 422 N C 1.708 177.212 175.510 -0.010 0.000 1.017 422 N CA 0.618 53.669 53.050 0.002 0.000 0.859 422 N CB -0.305 38.197 38.487 0.025 0.000 1.002 422 N HN 0.062 nan 8.380 nan 0.000 0.428 423 L N 1.533 122.758 121.223 0.003 0.000 1.970 423 L HA -0.150 4.191 4.340 0.001 0.000 0.212 423 L C 1.687 178.553 176.870 -0.007 0.000 1.071 423 L CA 1.755 56.592 54.840 -0.005 0.000 0.751 423 L CB -1.042 41.020 42.059 0.003 0.000 0.889 423 L HN 0.227 nan 8.230 nan 0.000 0.432 424 N N -0.234 118.470 118.700 0.006 0.000 2.049 424 N HA -0.256 4.485 4.740 0.001 0.000 0.198 424 N C 1.735 177.267 175.510 0.037 0.000 1.030 424 N CA 1.852 54.912 53.050 0.018 0.000 0.870 424 N CB -0.241 38.258 38.487 0.020 0.000 1.045 424 N HN 0.374 nan 8.380 nan 0.000 0.434 425 K N 1.366 121.787 120.400 0.036 0.000 2.034 425 K HA -0.123 4.197 4.320 0.001 0.000 0.214 425 K C 2.348 179.013 176.600 0.109 0.000 1.051 425 K CA 0.905 57.243 56.287 0.085 0.000 0.931 425 K CB -0.996 31.488 32.500 -0.028 0.000 0.715 425 K HN 0.281 nan 8.250 nan 0.000 0.446 426 L N 0.671 121.870 121.223 -0.040 0.000 2.012 426 L HA -0.201 4.139 4.340 0.001 0.000 0.210 426 L C 2.558 179.441 176.870 0.021 0.000 1.073 426 L CA 1.267 56.067 54.840 -0.067 0.000 0.748 426 L CB -0.568 41.412 42.059 -0.131 0.000 0.891 426 L HN 0.120 nan 8.230 nan 0.000 0.431 427 I N -0.593 119.987 120.570 0.017 0.000 2.163 427 I HA -0.343 3.828 4.170 0.001 0.000 0.243 427 I C 2.763 178.904 176.117 0.039 0.000 1.085 427 I CA 1.529 62.841 61.300 0.020 0.000 1.347 427 I CB -0.458 37.549 38.000 0.011 0.000 1.044 427 I HN 0.434 nan 8.210 nan 0.000 0.408 428 Q N 0.590 120.427 119.800 0.062 0.000 2.084 428 Q HA -0.257 4.084 4.340 0.001 0.000 0.202 428 Q C 2.080 178.080 176.000 -0.001 0.000 0.978 428 Q CA 1.837 57.658 55.803 0.030 0.000 0.844 428 Q CB -0.052 28.705 28.738 0.030 0.000 0.898 428 Q HN 0.570 nan 8.270 nan 0.000 0.426 429 H N -1.093 117.958 119.070 -0.033 0.000 2.524 429 H HA 0.102 4.658 4.556 0.001 0.000 0.282 429 H C 1.355 176.663 175.328 -0.034 0.000 1.016 429 H CA 1.129 57.156 56.048 -0.036 0.000 1.270 429 H CB 0.253 29.985 29.762 -0.050 0.000 1.394 429 H HN 0.383 nan 8.280 nan 0.000 0.568 430 A N -0.276 122.588 122.820 0.073 0.000 2.220 430 A HA 0.043 4.364 4.320 0.001 0.000 0.211 430 A C 0.359 177.954 177.584 0.018 0.000 1.176 430 A CA -0.042 52.015 52.037 0.033 0.000 0.834 430 A CB 0.372 19.382 19.000 0.016 0.000 0.868 430 A HN 0.253 nan 8.150 nan 0.000 0.488 431 Q N -0.686 119.120 119.800 0.010 0.000 2.457 431 Q HA -0.154 4.187 4.340 0.001 0.000 0.333 431 Q C -0.816 175.193 176.000 0.015 0.000 1.448 431 Q CA 0.912 56.718 55.803 0.004 0.000 0.891 431 Q CB -1.862 26.876 28.738 -0.000 0.000 1.142 431 Q HN 0.720 nan 8.270 nan 0.000 0.375 432 I N 2.260 122.840 120.570 0.016 0.000 2.433 432 I HA 0.344 4.514 4.170 0.001 0.000 0.292 432 I C -1.637 174.493 176.117 0.023 0.000 1.001 432 I CA -2.128 59.187 61.300 0.024 0.000 1.119 432 I CB 1.911 39.922 38.000 0.019 0.000 1.289 432 I HN -0.022 nan 8.210 nan 0.000 0.438 433 P HA 0.174 nan 4.420 nan 0.000 0.276 433 P C -2.247 175.071 177.300 0.030 0.000 1.230 433 P CA -1.354 61.763 63.100 0.029 0.000 0.776 433 P CB 0.358 32.079 31.700 0.035 0.000 0.888 434 P HA -0.218 nan 4.420 nan 0.000 0.217 434 P C 1.403 178.723 177.300 0.033 0.000 1.148 434 P CA 1.370 64.486 63.100 0.027 0.000 0.834 434 P CB 0.197 31.912 31.700 0.025 0.000 0.783 435 E N 0.122 120.344 120.200 0.038 0.000 2.049 435 E HA -0.228 4.122 4.350 0.001 0.000 0.198 435 E C 1.549 178.180 176.600 0.052 0.000 1.007 435 E CA 1.615 58.042 56.400 0.046 0.000 0.809 435 E CB -0.260 29.469 29.700 0.049 0.000 0.749 435 E HN 0.152 nan 8.360 nan 0.000 0.450 436 D N -0.225 120.207 120.400 0.054 0.000 2.137 436 D HA -0.111 4.530 4.640 0.001 0.000 0.202 436 D C 2.246 178.552 176.300 0.009 0.000 0.970 436 D CA 1.424 55.455 54.000 0.051 0.000 0.837 436 D CB -0.379 40.468 40.800 0.078 0.000 0.981 436 D HN 0.242 nan 8.370 nan 0.000 0.475 437 S N 1.062 116.770 115.700 0.013 0.000 2.402 437 S HA -0.208 4.262 4.470 0.001 0.000 0.233 437 S C 1.694 176.298 174.600 0.007 0.000 1.030 437 S CA 0.949 59.150 58.200 0.001 0.000 1.003 437 S CB -0.535 62.670 63.200 0.009 0.000 0.813 437 S HN 0.286 nan 8.310 nan 0.000 0.477 438 E N 0.971 121.185 120.200 0.025 0.000 2.331 438 E HA -0.092 4.258 4.350 0.001 0.000 0.199 438 E C 1.780 178.407 176.600 0.045 0.000 1.008 438 E CA 1.083 57.508 56.400 0.042 0.000 0.843 438 E CB -0.510 29.224 29.700 0.056 0.000 0.761 438 E HN 0.664 nan 8.360 nan 0.000 0.507 439 I N 0.943 121.522 120.570 0.015 0.000 2.099 439 I HA -0.337 3.834 4.170 0.001 0.000 0.239 439 I C 2.385 178.514 176.117 0.019 0.000 1.066 439 I CA 1.312 62.614 61.300 0.003 0.000 1.324 439 I CB -0.364 37.586 38.000 -0.084 0.000 1.037 439 I HN 0.134 nan 8.210 nan 0.000 0.401 440 I N 0.301 120.867 120.570 -0.007 0.000 2.163 440 I HA -0.296 3.875 4.170 0.001 0.000 0.243 440 I C 2.600 178.736 176.117 0.032 0.000 1.085 440 I CA 1.744 63.041 61.300 -0.004 0.000 1.347 440 I CB -0.968 37.012 38.000 -0.034 0.000 1.044 440 I HN 0.285 nan 8.210 nan 0.000 0.408 441 T N 1.008 115.585 114.554 0.037 0.000 2.635 441 T HA -0.176 4.175 4.350 0.001 0.000 0.267 441 T C 1.616 176.370 174.700 0.090 0.000 1.040 441 T CA 1.851 63.980 62.100 0.049 0.000 1.156 441 T CB -0.461 68.439 68.868 0.053 0.000 0.863 441 T HN 0.295 nan 8.240 nan 0.000 0.430 442 N N 0.782 119.571 118.700 0.148 0.000 2.443 442 N HA 0.004 4.745 4.740 0.001 0.000 0.184 442 N C 1.538 177.210 175.510 0.271 0.000 1.037 442 N CA 0.429 53.652 53.050 0.288 0.000 0.896 442 N CB -0.451 38.152 38.487 0.194 0.000 0.959 442 N HN 0.251 nan 8.380 nan 0.000 0.442 443 M N 0.808 120.498 119.600 0.151 0.000 2.267 443 M HA -0.005 4.475 4.480 0.001 0.000 0.263 443 M C 1.721 178.079 176.300 0.096 0.000 1.063 443 M CA 0.850 56.226 55.300 0.128 0.000 1.090 443 M CB -0.383 32.306 32.600 0.148 0.000 1.392 443 M HN 0.179 nan 8.290 nan 0.000 0.422 444 A N -0.986 121.869 122.820 0.058 0.000 1.940 444 A HA -0.230 4.091 4.320 0.001 0.000 0.219 444 A C 1.821 179.377 177.584 -0.045 0.000 1.176 444 A CA 2.176 54.197 52.037 -0.027 0.000 0.631 444 A CB -1.339 17.590 19.000 -0.118 0.000 0.814 444 A HN 0.727 nan 8.150 nan 0.000 0.446 445 H N -0.269 118.824 119.070 0.038 0.000 2.457 445 H HA -0.000 4.556 4.556 0.001 0.000 0.297 445 H C 1.678 177.077 175.328 0.118 0.000 1.092 445 H CA 1.420 57.508 56.048 0.067 0.000 1.309 445 H CB -0.230 29.563 29.762 0.051 0.000 1.382 445 H HN 0.404 nan 8.280 nan 0.000 0.535 446 L N -0.869 120.392 121.223 0.063 0.000 2.362 446 L HA 0.012 4.353 4.340 0.001 0.000 0.219 446 L C 1.256 178.156 176.870 0.051 0.000 1.134 446 L CA 0.800 55.542 54.840 -0.163 0.000 0.807 446 L CB -0.095 41.763 42.059 -0.335 0.000 0.927 446 L HN 0.604 nan 8.230 nan 0.000 0.447 447 G N 0.162 109.037 108.800 0.126 0.000 2.167 447 G HA2 -0.178 3.782 3.960 0.001 0.000 0.194 447 G HA3 -0.178 3.782 3.960 0.001 0.000 0.194 447 G C -0.290 174.656 174.900 0.076 0.000 1.027 447 G CA -0.258 44.950 45.100 0.179 0.000 0.717 447 G HN 0.059 nan 8.290 nan 0.000 0.501 448 V N 0.736 120.671 119.914 0.035 0.000 2.448 448 V HA 0.510 4.630 4.120 0.001 0.000 0.295 448 V C -1.867 174.263 176.094 0.060 0.000 1.025 448 V CA -1.928 60.385 62.300 0.021 0.000 0.859 448 V CB 2.002 33.810 31.823 -0.024 0.000 0.988 448 V HN 0.132 nan 8.190 nan 0.000 0.431 449 P HA 0.092 nan 4.420 nan 0.000 0.258 449 P C 0.259 177.608 177.300 0.080 0.000 1.187 449 P CA 0.436 63.570 63.100 0.058 0.000 0.767 449 P CB 0.415 32.145 31.700 0.052 0.000 0.770 450 I N 2.698 123.299 120.570 0.051 0.000 3.345 450 I HA 0.083 4.254 4.170 0.001 0.000 0.258 450 I C 0.788 176.919 176.117 0.023 0.000 1.134 450 I CA 0.847 62.174 61.300 0.045 0.000 1.457 450 I CB -0.069 37.950 38.000 0.032 0.000 1.425 450 I HN 0.031 nan 8.210 nan 0.000 0.461 451 V N 0.903 120.825 119.914 0.013 0.000 2.864 451 V HA 0.570 4.690 4.120 0.001 0.000 0.314 451 V C -0.059 176.040 176.094 0.007 0.000 1.073 451 V CA -0.434 61.872 62.300 0.009 0.000 0.956 451 V CB 2.042 33.868 31.823 0.005 0.000 1.023 451 V HN 0.244 nan 8.190 nan 0.000 0.435 465 K N 2.788 123.140 120.400 -0.079 0.000 2.458 465 K HA 0.058 4.378 4.320 0.001 0.000 0.194 465 K C 0.996 177.560 176.600 -0.061 0.000 1.024 465 K CA 0.634 56.874 56.287 -0.078 0.000 1.108 465 K CB 0.408 32.889 32.500 -0.031 0.000 0.846 465 K HN 0.415 nan 8.250 nan 0.000 0.518 466 E N 1.779 121.944 120.200 -0.059 0.000 2.049 466 E HA -0.227 4.124 4.350 0.001 0.000 0.198 466 E C 0.219 176.789 176.600 -0.049 0.000 1.007 466 E CA 0.937 57.309 56.400 -0.046 0.000 0.809 466 E CB -0.609 29.063 29.700 -0.046 0.000 0.749 466 E HN 0.169 nan 8.360 nan 0.000 0.450 467 R N 1.207 121.667 120.500 -0.067 0.000 4.662 467 R HA -0.133 4.208 4.340 0.001 0.000 0.189 467 R C 0.995 177.270 176.300 -0.041 0.000 0.345 467 R CA 0.381 56.443 56.100 -0.063 0.000 0.933 467 R CB -0.560 29.686 30.300 -0.091 0.000 0.923 467 R HN 0.360 nan 8.270 nan 0.000 0.272 468 I N 0.787 121.338 120.570 -0.031 0.000 3.565 468 I HA -0.099 4.071 4.170 0.001 0.000 0.287 468 I C 1.967 178.070 176.117 -0.022 0.000 1.193 468 I CA 0.955 62.242 61.300 -0.022 0.000 1.402 468 I CB 0.048 38.035 38.000 -0.021 0.000 1.284 468 I HN 0.454 nan 8.210 nan 0.000 0.454 469 S N 0.362 116.047 115.700 -0.025 0.000 2.420 469 S HA -0.229 4.241 4.470 0.001 0.000 0.237 469 S C 1.631 176.220 174.600 -0.018 0.000 1.023 469 S CA 1.762 59.948 58.200 -0.024 0.000 0.991 469 S CB -0.817 62.368 63.200 -0.023 0.000 0.792 469 S HN 0.682 nan 8.310 nan 0.000 0.488 470 E N 1.105 121.297 120.200 -0.013 0.000 2.057 470 E HA 0.001 4.352 4.350 0.001 0.000 0.190 470 E C 1.071 177.686 176.600 0.024 0.000 0.969 470 E CA 0.116 56.519 56.400 0.004 0.000 0.812 470 E CB -0.137 29.561 29.700 -0.005 0.000 0.777 470 E HN 0.633 nan 8.360 nan 0.000 0.455 471 Q N 1.558 121.368 119.800 0.017 0.000 2.292 471 Q HA -0.060 4.280 4.340 0.001 0.000 0.290 471 Q C -0.200 175.803 176.000 0.004 0.000 1.161 471 Q CA 0.506 56.332 55.803 0.038 0.000 0.974 471 Q CB 0.432 29.186 28.738 0.027 0.000 1.136 471 Q HN 0.071 nan 8.270 nan 0.000 0.398 472 T N 3.604 118.164 114.554 0.010 0.000 3.058 472 T HA 0.107 4.458 4.350 0.001 0.000 0.247 472 T C -0.777 173.735 174.700 -0.312 0.000 0.987 472 T CA 0.204 62.191 62.100 -0.188 0.000 1.062 472 T CB 0.179 68.857 68.868 -0.317 0.000 1.048 472 T HN 0.476 nan 8.240 nan 0.000 0.468 473 Y N 2.208 122.474 120.300 -0.058 0.000 2.361 473 Y HA 0.394 4.944 4.550 0.001 0.000 0.332 473 Y C 1.583 177.494 175.900 0.019 0.000 1.101 473 Y CA -1.025 57.041 58.100 -0.057 0.000 1.137 473 Y CB 0.755 39.125 38.460 -0.150 0.000 1.207 473 Y HN -0.008 nan 8.280 nan 0.000 0.463 474 Q N 1.448 121.342 119.800 0.156 0.000 2.234 474 Q HA -0.117 4.223 4.340 0.001 0.000 0.206 474 Q C 0.837 176.927 176.000 0.150 0.000 0.980 474 Q CA 1.296 57.172 55.803 0.121 0.000 0.869 474 Q CB -0.009 28.785 28.738 0.092 0.000 0.912 474 Q HN 0.705 nan 8.270 nan 0.000 0.436 475 L N -0.487 120.853 121.223 0.194 0.000 2.700 475 L HA 0.154 4.495 4.340 0.001 0.000 0.234 475 L C 0.239 177.228 176.870 0.198 0.000 1.156 475 L CA -0.024 54.926 54.840 0.183 0.000 0.946 475 L CB 0.672 42.845 42.059 0.189 0.000 1.216 475 L HN -0.117 nan 8.230 nan 0.000 0.493 476 S N -0.392 115.448 115.700 0.233 0.000 2.327 476 S HA 0.306 4.777 4.470 0.001 0.000 0.203 476 S C 1.074 175.800 174.600 0.211 0.000 1.326 476 S CA -0.540 57.804 58.200 0.240 0.000 1.248 476 S CB 0.362 63.755 63.200 0.320 0.000 1.199 476 S HN 0.262 nan 8.310 nan 0.000 0.422 477 R N 0.204 120.823 120.500 0.199 0.000 2.140 477 R HA 0.100 4.440 4.340 0.001 0.000 0.213 477 R C 0.882 177.286 176.300 0.173 0.000 1.059 477 R CA 0.138 56.336 56.100 0.162 0.000 1.000 477 R CB 0.190 30.579 30.300 0.147 0.000 0.910 477 R HN 0.550 nan 8.270 nan 0.000 0.455 478 W N 2.953 124.283 121.300 0.049 0.000 2.193 478 W HA 0.030 4.691 4.660 0.001 0.000 0.338 478 W C -1.139 175.395 176.519 0.024 0.000 1.310 478 W CA 0.892 58.257 57.345 0.032 0.000 1.243 478 W CB 0.789 30.268 29.460 0.032 0.000 1.165 478 W HN -0.163 nan 8.180 nan 0.000 0.566 479 T N 8.106 122.075 114.554 -0.975 0.000 2.847 479 T HA 0.237 4.587 4.350 0.001 0.000 0.291 479 T C -2.421 171.625 174.700 -1.091 0.000 0.998 479 T CA -1.163 60.483 62.100 -0.756 0.000 0.967 479 T CB 1.640 70.243 68.868 -0.441 0.000 0.954 479 T HN 0.158 nan 8.240 nan 0.000 0.441 480 P HA 0.126 nan 4.420 nan 0.000 0.261 480 P C 0.925 178.124 177.300 -0.169 0.000 1.173 480 P CA 0.113 63.154 63.100 -0.099 0.000 0.760 480 P CB 0.418 32.158 31.700 0.068 0.000 0.783 481 I N 3.124 123.652 120.570 -0.071 0.000 2.248 481 I HA -0.270 3.900 4.170 0.001 0.000 0.248 481 I C 2.087 178.269 176.117 0.109 0.000 1.107 481 I CA 1.270 62.566 61.300 -0.007 0.000 1.373 481 I CB -0.377 37.669 38.000 0.076 0.000 1.055 481 I HN 0.388 nan 8.210 nan 0.000 0.418 482 I N 1.185 121.899 120.570 0.240 0.000 2.300 482 I HA -0.350 3.820 4.170 0.001 0.000 0.252 482 I C 2.382 178.486 176.117 -0.022 0.000 1.119 482 I CA 1.746 63.145 61.300 0.165 0.000 1.384 482 I CB -0.483 37.624 38.000 0.178 0.000 1.062 482 I HN 0.135 nan 8.210 nan 0.000 0.426 483 K N 0.191 120.560 120.400 -0.052 0.000 2.001 483 K HA -0.200 4.121 4.320 0.001 0.000 0.208 483 K C 1.818 178.344 176.600 -0.124 0.000 1.048 483 K CA 1.905 58.132 56.287 -0.101 0.000 0.932 483 K CB -0.217 32.214 32.500 -0.115 0.000 0.715 483 K HN 0.301 nan 8.250 nan 0.000 0.437 484 D N 0.987 121.314 120.400 -0.123 0.000 2.116 484 D HA -0.207 4.434 4.640 0.001 0.000 0.193 484 D C 1.965 178.173 176.300 -0.153 0.000 0.998 484 D CA 1.520 55.442 54.000 -0.129 0.000 0.836 484 D CB -0.297 40.435 40.800 -0.114 0.000 0.951 484 D HN 0.348 nan 8.370 nan 0.000 0.449 485 I N 0.484 120.959 120.570 -0.158 0.000 2.127 485 I HA -0.288 3.883 4.170 0.001 0.000 0.241 485 I C 2.641 178.595 176.117 -0.272 0.000 1.075 485 I CA 0.933 62.081 61.300 -0.253 0.000 1.334 485 I CB -0.410 37.414 38.000 -0.293 0.000 1.040 485 I HN -0.040 nan 8.210 nan 0.000 0.405 486 M N 0.443 119.906 119.600 -0.228 0.000 2.113 486 M HA -0.286 4.195 4.480 0.001 0.000 0.255 486 M C 2.303 178.439 176.300 -0.274 0.000 1.073 486 M CA 2.073 57.231 55.300 -0.237 0.000 1.091 486 M CB -0.646 31.844 32.600 -0.184 0.000 1.309 486 M HN 0.245 nan 8.290 nan 0.000 0.407 487 E N 0.181 120.244 120.200 -0.228 0.000 2.017 487 E HA -0.193 4.157 4.350 0.001 0.000 0.193 487 E C 1.719 178.173 176.600 -0.242 0.000 0.997 487 E CA 1.344 57.608 56.400 -0.227 0.000 0.804 487 E CB -0.329 29.271 29.700 -0.167 0.000 0.757 487 E HN 0.491 nan 8.360 nan 0.000 0.448 488 D N 0.478 120.751 120.400 -0.211 0.000 2.133 488 D HA -0.148 4.492 4.640 0.001 0.000 0.195 488 D C 2.021 178.185 176.300 -0.227 0.000 0.997 488 D CA 1.513 55.398 54.000 -0.193 0.000 0.840 488 D CB -0.575 40.119 40.800 -0.177 0.000 0.947 488 D HN 0.128 nan 8.370 nan 0.000 0.452 489 T N 1.221 115.602 114.554 -0.288 0.000 2.622 489 T HA -0.104 4.246 4.350 0.001 0.000 0.266 489 T C 2.242 176.706 174.700 -0.393 0.000 1.047 489 T CA 0.722 62.633 62.100 -0.314 0.000 1.159 489 T CB -0.324 68.335 68.868 -0.348 0.000 0.863 489 T HN 0.182 nan 8.240 nan 0.000 0.422 490 I N 0.921 121.155 120.570 -0.560 0.000 2.335 490 I HA -0.120 4.050 4.170 0.001 0.000 0.251 490 I C 1.796 177.642 176.117 -0.452 0.000 1.129 490 I CA 1.333 62.124 61.300 -0.848 0.000 1.402 490 I CB -0.340 37.107 38.000 -0.921 0.000 1.069 490 I HN 0.333 nan 8.210 nan 0.000 0.424 491 E N 0.558 120.587 120.200 -0.285 0.000 2.370 491 E HA -0.050 4.301 4.350 0.001 0.000 0.194 491 E C -0.107 176.430 176.600 -0.105 0.000 1.057 491 E CA -0.144 56.162 56.400 -0.157 0.000 1.011 491 E CB -0.064 29.558 29.700 -0.131 0.000 1.132 491 E HN 0.171 nan 8.360 nan 0.000 0.450 492 D N 1.759 122.096 120.400 -0.105 0.000 2.755 492 D HA -0.209 4.432 4.640 0.001 0.000 0.228 492 D C 0.305 176.584 176.300 -0.035 0.000 1.172 492 D CA 1.060 55.035 54.000 -0.042 0.000 0.630 492 D CB -0.463 40.342 40.800 0.008 0.000 1.040 492 D HN 0.080 nan 8.370 nan 0.000 0.418 493 K N -0.044 120.316 120.400 -0.067 0.000 2.564 493 K HA 0.275 4.596 4.320 0.001 0.000 0.205 493 K C -0.473 176.091 176.600 -0.060 0.000 1.053 493 K CA -0.571 55.684 56.287 -0.052 0.000 1.072 493 K CB 0.134 32.597 32.500 -0.061 0.000 0.822 493 K HN 0.167 nan 8.250 nan 0.000 0.497 494 L N 1.720 122.901 121.223 -0.071 0.000 2.319 494 L HA 0.303 4.643 4.340 0.001 0.000 0.280 494 L C -0.396 176.498 176.870 0.040 0.000 1.099 494 L CA -0.092 54.698 54.840 -0.083 0.000 0.828 494 L CB 0.769 42.708 42.059 -0.199 0.000 1.150 494 L HN 0.146 nan 8.230 nan 0.000 0.442 495 D N 3.234 123.706 120.400 0.120 0.000 2.426 495 D HA -0.066 4.574 4.640 0.001 0.000 0.261 495 D C 0.875 177.303 176.300 0.212 0.000 1.245 495 D CA 0.410 54.502 54.000 0.154 0.000 0.917 495 D CB 1.131 41.989 40.800 0.097 0.000 1.123 495 D HN 0.747 nan 8.370 nan 0.000 0.508 496 T N 3.770 118.417 114.554 0.155 0.000 2.788 496 T HA -0.193 4.158 4.350 0.001 0.000 0.268 496 T C 1.774 176.536 174.700 0.103 0.000 1.044 496 T CA 1.131 63.327 62.100 0.160 0.000 1.139 496 T CB 0.099 69.065 68.868 0.162 0.000 0.867 496 T HN 0.442 nan 8.240 nan 0.000 0.454 497 K N -0.308 120.155 120.400 0.106 0.000 2.155 497 K HA -0.094 4.227 4.320 0.001 0.000 0.203 497 K C 1.966 178.524 176.600 -0.070 0.000 1.052 497 K CA 1.093 57.401 56.287 0.035 0.000 0.948 497 K CB -0.011 32.524 32.500 0.059 0.000 0.728 497 K HN 0.388 nan 8.250 nan 0.000 0.448 498 H N -1.830 117.149 119.070 -0.153 0.000 2.512 498 H HA 0.048 4.604 4.556 0.001 0.000 0.279 498 H C -0.336 174.545 175.328 -0.745 0.000 0.999 498 H CA 0.904 56.709 56.048 -0.406 0.000 1.283 498 H CB 0.334 29.843 29.762 -0.423 0.000 1.421 498 H HN 0.091 nan 8.280 nan 0.000 0.554 499 Y N 0.699 120.964 120.300 -0.059 0.000 2.592 499 Y HA 0.278 4.828 4.550 0.001 0.000 0.354 499 Y C -2.566 173.131 175.900 -0.337 0.000 1.063 499 Y CA -3.071 54.893 58.100 -0.226 0.000 1.205 499 Y CB 0.814 39.165 38.460 -0.180 0.000 1.106 499 Y HN 0.007 nan 8.280 nan 0.000 0.649 500 P HA 0.027 nan 4.420 nan 0.000 0.271 500 P C -0.588 176.540 177.300 -0.286 0.000 1.218 500 P CA 0.034 62.961 63.100 -0.288 0.000 0.780 500 P CB 1.158 32.655 31.700 -0.339 0.000 0.901 501 Y N 0.787 121.042 120.300 -0.075 0.000 2.299 501 Y HA 0.039 4.589 4.550 0.001 0.000 0.335 501 Y C 2.033 178.010 175.900 0.128 0.000 1.287 501 Y CA -0.040 58.074 58.100 0.022 0.000 1.424 501 Y CB 0.224 38.697 38.460 0.022 0.000 1.326 501 Y HN 0.225 nan 8.280 nan 0.000 0.567 502 I N -0.441 120.314 120.570 0.308 0.000 2.585 502 I HA -0.036 4.135 4.170 0.001 0.000 0.254 502 I C 0.843 177.064 176.117 0.174 0.000 1.129 502 I CA 1.226 62.675 61.300 0.249 0.000 1.455 502 I CB -0.204 37.895 38.000 0.164 0.000 1.111 502 I HN 0.529 nan 8.210 nan 0.000 0.433 533 S N -0.119 115.556 115.700 -0.043 0.000 2.597 533 S HA 0.763 5.234 4.470 0.001 0.000 0.274 533 S C 0.180 174.724 174.600 -0.093 0.000 1.132 533 S CA 0.184 58.352 58.200 -0.054 0.000 0.835 533 S CB 1.264 64.438 63.200 -0.044 0.000 1.092 533 S HN 2.067 nan 8.310 nan 0.000 0.457 534 G N 1.717 110.447 108.800 -0.118 0.000 2.588 534 G HA2 0.608 4.569 3.960 0.001 0.000 0.281 534 G HA3 0.608 4.569 3.960 0.001 0.000 0.281 534 G C -2.735 171.981 174.900 -0.307 0.000 1.236 534 G CA -1.321 43.653 45.100 -0.211 0.000 0.969 534 G HN 0.581 nan 8.290 nan 0.000 0.504 535 P HA 0.181 nan 4.420 nan 0.000 0.271 535 P C -0.538 176.381 177.300 -0.636 0.000 1.218 535 P CA 0.050 62.703 63.100 -0.745 0.000 0.780 535 P CB 1.092 31.988 31.700 -1.340 0.000 0.901 536 R N 1.383 121.729 120.500 -0.258 0.000 2.732 536 R HA 0.596 4.936 4.340 0.001 0.000 0.278 536 R C -0.623 175.895 176.300 0.363 0.000 0.976 536 R CA -1.093 55.049 56.100 0.069 0.000 0.963 536 R CB 1.193 31.500 30.300 0.012 0.000 1.150 536 R HN 0.356 nan 8.270 nan 0.000 0.478 537 L N 4.084 125.526 121.223 0.365 0.000 2.366 537 L HA 0.431 4.772 4.340 0.001 0.000 0.266 537 L C -1.040 175.877 176.870 0.078 0.000 1.010 537 L CA -0.129 54.838 54.840 0.213 0.000 0.879 537 L CB 0.792 42.889 42.059 0.064 0.000 1.228 537 L HN 0.519 nan 8.230 nan 0.000 0.439 538 I N 5.563 126.163 120.570 0.050 0.000 2.371 538 I HA 0.320 4.490 4.170 0.001 0.000 0.290 538 I C -0.160 175.991 176.117 0.057 0.000 1.028 538 I CA -0.116 61.211 61.300 0.045 0.000 1.345 538 I CB 0.836 38.820 38.000 -0.027 0.000 1.407 538 I HN 0.483 nan 8.210 nan 0.000 0.501 539 I N 6.204 126.833 120.570 0.099 0.000 2.474 539 I HA 0.403 4.574 4.170 0.001 0.000 0.294 539 I C -0.837 175.383 176.117 0.171 0.000 1.005 539 I CA -0.629 60.703 61.300 0.053 0.000 1.113 539 I CB 2.139 40.099 38.000 -0.066 0.000 1.289 539 I HN 0.394 nan 8.210 nan 0.000 0.436 540 F N 6.989 126.922 119.950 -0.029 0.000 2.551 540 F HA 0.683 5.211 4.527 0.001 0.000 0.316 540 F C -1.079 174.665 175.800 -0.094 0.000 1.089 540 F CA -0.743 57.240 58.000 -0.028 0.000 0.915 540 F CB 1.447 40.472 39.000 0.041 0.000 1.186 540 F HN 0.164 nan 8.300 nan 0.000 0.456 541 I N 7.227 127.204 120.570 -0.989 0.000 2.476 541 I HA 0.259 4.430 4.170 0.001 0.000 0.281 541 I C -0.775 174.851 176.117 -0.817 0.000 1.040 541 I CA -0.615 60.288 61.300 -0.662 0.000 1.094 541 I CB 1.548 39.333 38.000 -0.359 0.000 1.219 541 I HN 0.433 nan 8.210 nan 0.000 0.450 542 L N 5.430 126.359 121.223 -0.490 0.000 2.483 542 L HA 0.191 4.531 4.340 0.001 0.000 0.276 542 L C 1.489 178.331 176.870 -0.046 0.000 1.213 542 L CA 0.937 55.601 54.840 -0.294 0.000 0.843 542 L CB 0.287 42.201 42.059 -0.243 0.000 1.107 542 L HN 0.990 nan 8.230 nan 0.000 0.487 543 G N 1.100 109.991 108.800 0.152 0.000 2.225 543 G HA2 -0.031 3.930 3.960 0.001 0.000 0.254 543 G HA3 -0.031 3.930 3.960 0.001 0.000 0.254 543 G C 0.487 175.438 174.900 0.085 0.000 0.988 543 G CA -0.061 45.365 45.100 0.543 0.000 0.625 543 G HN 1.545 nan 8.290 nan 0.000 0.527 544 G N -2.519 106.074 108.800 -0.344 0.000 2.371 544 G HA2 0.468 4.428 3.960 0.001 0.000 0.663 544 G HA3 0.468 4.428 3.960 0.001 0.000 0.663 544 G C -0.812 173.830 174.900 -0.430 0.000 1.311 544 G CA 0.506 45.161 45.100 -0.742 0.000 0.985 544 G HN 1.857 nan 8.290 nan 0.000 0.566 545 V N -0.400 119.279 119.914 -0.391 0.000 2.808 545 V HA 0.813 4.933 4.120 0.001 0.000 0.308 545 V C 0.337 176.322 176.094 -0.182 0.000 1.099 545 V CA 0.365 62.515 62.300 -0.250 0.000 0.920 545 V CB 1.747 33.403 31.823 -0.278 0.000 1.014 545 V HN 1.926 nan 8.190 nan 0.000 0.425 546 S N 4.530 120.163 115.700 -0.112 0.000 2.610 546 S HA 0.479 4.949 4.470 0.001 0.000 0.273 546 S C 1.040 175.606 174.600 -0.056 0.000 1.274 546 S CA -0.525 57.628 58.200 -0.078 0.000 1.023 546 S CB 1.262 64.434 63.200 -0.047 0.000 0.962 546 S HN 0.738 nan 8.310 nan 0.000 0.523 547 L N 2.889 124.085 121.223 -0.045 0.000 2.131 547 L HA -0.127 4.213 4.340 0.001 0.000 0.210 547 L C 2.193 179.082 176.870 0.032 0.000 1.092 547 L CA 1.180 56.011 54.840 -0.014 0.000 0.759 547 L CB -0.733 41.307 42.059 -0.032 0.000 0.903 547 L HN 0.752 nan 8.230 nan 0.000 0.435 548 N N -0.116 118.604 118.700 0.033 0.000 2.244 548 N HA -0.217 4.524 4.740 0.001 0.000 0.183 548 N C 1.484 177.019 175.510 0.042 0.000 1.016 548 N CA 1.271 54.354 53.050 0.056 0.000 0.866 548 N CB -0.453 38.088 38.487 0.091 0.000 0.980 548 N HN 0.368 nan 8.380 nan 0.000 0.430 549 E N 0.053 120.271 120.200 0.030 0.000 2.106 549 E HA -0.001 4.350 4.350 0.001 0.000 0.192 549 E C 1.960 178.548 176.600 -0.021 0.000 0.984 549 E CA 0.969 57.377 56.400 0.013 0.000 0.806 549 E CB -0.172 29.542 29.700 0.024 0.000 0.750 549 E HN 0.365 nan 8.360 nan 0.000 0.458 550 M N 0.212 119.807 119.600 -0.009 0.000 2.080 550 M HA -0.203 4.278 4.480 0.001 0.000 0.260 550 M C 2.487 178.810 176.300 0.038 0.000 1.068 550 M CA 1.412 56.720 55.300 0.013 0.000 1.109 550 M CB -0.267 32.394 32.600 0.102 0.000 1.342 550 M HN 0.003 nan 8.290 nan 0.000 0.405 551 R N 0.075 120.598 120.500 0.038 0.000 2.103 551 R HA -0.193 4.148 4.340 0.001 0.000 0.242 551 R C 2.164 178.396 176.300 -0.113 0.000 1.142 551 R CA 2.126 58.167 56.100 -0.098 0.000 0.960 551 R CB -0.467 29.817 30.300 -0.027 0.000 0.858 551 R HN 0.457 nan 8.270 nan 0.000 0.439 552 C N 0.197 119.457 119.300 -0.067 0.000 2.413 552 C HA -0.117 4.344 4.460 0.001 0.000 0.276 552 C C 2.939 177.867 174.990 -0.104 0.000 1.236 552 C CA 0.793 59.765 59.018 -0.077 0.000 1.735 552 C CB -1.269 26.433 27.740 -0.064 0.000 2.031 552 C HN 0.714 nan 8.230 nan 0.000 0.474 553 A N -0.254 122.477 122.820 -0.148 0.000 1.873 553 A HA -0.249 4.072 4.320 0.001 0.000 0.218 553 A C 1.897 179.345 177.584 -0.227 0.000 1.193 553 A CA 2.080 53.984 52.037 -0.222 0.000 0.629 553 A CB -1.100 17.701 19.000 -0.332 0.000 0.826 553 A HN 0.690 nan 8.150 nan 0.000 0.447 554 Y N -0.065 120.152 120.300 -0.138 0.000 2.145 554 Y HA -0.195 4.356 4.550 0.001 0.000 0.286 554 Y C 2.577 178.410 175.900 -0.112 0.000 1.145 554 Y CA 1.640 59.659 58.100 -0.134 0.000 1.148 554 Y CB -0.343 37.953 38.460 -0.274 0.000 0.981 554 Y HN 0.413 nan 8.280 nan 0.000 0.507 555 E N -0.211 119.991 120.200 0.003 0.000 2.070 555 E HA -0.217 4.134 4.350 0.001 0.000 0.197 555 E C 2.234 178.828 176.600 -0.010 0.000 1.004 555 E CA 1.873 58.266 56.400 -0.012 0.000 0.805 555 E CB -0.379 29.297 29.700 -0.039 0.000 0.744 555 E HN 0.244 nan 8.360 nan 0.000 0.451 556 V N 1.169 121.061 119.914 -0.037 0.000 2.427 556 V HA -0.230 3.890 4.120 0.001 0.000 0.248 556 V C 2.304 178.394 176.094 -0.008 0.000 1.051 556 V CA 2.076 64.350 62.300 -0.044 0.000 1.048 556 V CB -0.708 31.064 31.823 -0.085 0.000 0.666 556 V HN 0.338 nan 8.190 nan 0.000 0.456 557 T N -0.757 113.803 114.554 0.011 0.000 2.708 557 T HA -0.220 4.131 4.350 0.001 0.000 0.266 557 T C 1.980 176.720 174.700 0.068 0.000 1.037 557 T CA 1.346 63.480 62.100 0.056 0.000 1.146 557 T CB -0.259 68.644 68.868 0.059 0.000 0.865 557 T HN 0.402 nan 8.240 nan 0.000 0.435 558 Q N 0.927 120.766 119.800 0.067 0.000 2.002 558 Q HA -0.093 4.247 4.340 0.001 0.000 0.204 558 Q C 2.830 178.855 176.000 0.042 0.000 0.988 558 Q CA 1.815 57.654 55.803 0.060 0.000 0.843 558 Q CB -0.835 27.938 28.738 0.059 0.000 0.908 558 Q HN 0.572 nan 8.270 nan 0.000 0.420 559 A N 1.824 124.661 122.820 0.027 0.000 1.948 559 A HA -0.241 4.079 4.320 0.001 0.000 0.220 559 A C 1.962 179.559 177.584 0.023 0.000 1.177 559 A CA 1.851 53.897 52.037 0.015 0.000 0.636 559 A CB -0.671 18.326 19.000 -0.005 0.000 0.815 559 A HN 0.439 nan 8.150 nan 0.000 0.449 560 N N -1.600 117.121 118.700 0.036 0.000 2.085 560 N HA 0.137 4.878 4.740 0.001 0.000 0.191 560 N C 1.443 177.001 175.510 0.080 0.000 1.058 560 N CA 2.556 55.644 53.050 0.063 0.000 0.849 560 N CB -0.005 38.542 38.487 0.101 0.000 1.038 560 N HN 0.572 nan 8.380 nan 0.000 0.434 561 G N 0.829 109.683 108.800 0.091 0.000 2.882 561 G HA2 -0.237 3.724 3.960 0.001 0.000 0.198 561 G HA3 -0.237 3.724 3.960 0.001 0.000 0.198 561 G C 1.098 176.043 174.900 0.076 0.000 1.977 561 G CA 0.572 45.716 45.100 0.073 0.000 1.541 561 G HN 0.483 nan 8.290 nan 0.000 0.567 562 K N 0.340 120.792 120.400 0.087 0.000 2.116 562 K HA 0.181 4.502 4.320 0.001 0.000 0.203 562 K C 0.664 177.264 176.600 0.000 0.000 1.052 562 K CA 0.390 56.692 56.287 0.024 0.000 0.952 562 K CB -0.258 32.238 32.500 -0.008 0.000 0.729 562 K HN 0.437 nan 8.250 nan 0.000 0.446 563 W N 1.734 123.027 121.300 -0.011 0.000 2.170 563 W HA 0.180 4.840 4.660 0.001 0.000 0.336 563 W C -0.141 176.367 176.519 -0.020 0.000 1.283 563 W CA -0.098 57.236 57.345 -0.018 0.000 1.224 563 W CB 0.573 30.017 29.460 -0.027 0.000 1.132 563 W HN 0.045 nan 8.180 nan 0.000 0.571 564 E N 2.231 122.570 120.200 0.231 0.000 2.182 564 E HA 0.373 4.724 4.350 0.001 0.000 0.258 564 E C -1.583 175.106 176.600 0.148 0.000 0.879 564 E CA -0.495 55.985 56.400 0.133 0.000 0.754 564 E CB 1.089 30.820 29.700 0.052 0.000 1.162 564 E HN 0.174 nan 8.360 nan 0.000 0.419 565 V N 6.465 126.425 119.914 0.076 0.000 2.383 565 V HA 0.308 4.428 4.120 0.001 0.000 0.275 565 V C -0.058 176.008 176.094 -0.047 0.000 1.036 565 V CA -0.454 61.857 62.300 0.018 0.000 0.889 565 V CB 0.940 32.734 31.823 -0.048 0.000 0.985 565 V HN 0.643 nan 8.190 nan 0.000 0.459 566 L N 6.510 127.734 121.223 0.001 0.000 2.313 566 L HA 0.642 4.982 4.340 0.001 0.000 0.283 566 L C -0.431 176.494 176.870 0.092 0.000 1.013 566 L CA -0.308 54.552 54.840 0.034 0.000 0.816 566 L CB 1.923 44.029 42.059 0.079 0.000 1.236 566 L HN 0.534 nan 8.230 nan 0.000 0.419 567 I N 1.702 122.273 120.570 0.002 0.000 2.603 567 I HA 0.861 5.031 4.170 0.001 0.000 0.300 567 I C -0.155 175.687 176.117 -0.459 0.000 1.017 567 I CA -0.139 61.094 61.300 -0.112 0.000 1.098 567 I CB 2.030 39.932 38.000 -0.164 0.000 1.279 567 I HN 0.663 nan 8.210 nan 0.000 0.437 568 G N 3.444 111.790 108.800 -0.756 0.000 2.649 568 G HA2 0.614 4.575 3.960 0.001 0.000 0.290 568 G HA3 0.614 4.575 3.960 0.001 0.000 0.290 568 G C -1.847 172.654 174.900 -0.665 0.000 1.426 568 G CA -0.284 43.990 45.100 -1.376 0.000 0.794 568 G HN 0.695 nan 8.290 nan 0.000 0.483 569 S N -2.456 112.962 115.700 -0.469 0.000 2.661 569 S HA 0.561 5.032 4.470 0.001 0.000 0.268 569 S C 1.439 176.013 174.600 -0.044 0.000 1.162 569 S CA 0.885 58.794 58.200 -0.483 0.000 0.817 569 S CB 0.753 63.621 63.200 -0.553 0.000 1.141 569 S HN 1.494 nan 8.310 nan 0.000 0.477 570 T N 0.008 114.527 114.554 -0.058 0.000 2.915 570 T HA 0.133 4.483 4.350 0.001 0.000 0.269 570 T C 0.720 175.528 174.700 0.180 0.000 1.071 570 T CA 1.579 63.788 62.100 0.180 0.000 1.132 570 T CB -0.779 68.259 68.868 0.282 0.000 0.878 570 T HN 0.916 nan 8.240 nan 0.000 0.479 571 H N -1.548 117.489 119.070 -0.056 0.000 2.987 571 H HA 0.445 5.002 4.556 0.001 0.000 0.316 571 H C -1.567 173.651 175.328 -0.183 0.000 1.380 571 H CA -1.425 54.562 56.048 -0.101 0.000 1.160 571 H CB 0.245 29.968 29.762 -0.065 0.000 1.865 571 H HN -0.062 nan 8.280 nan 0.000 0.521 572 I N 1.859 122.342 120.570 -0.144 0.000 2.532 572 I HA 0.287 4.458 4.170 0.001 0.000 0.292 572 I C 0.493 176.552 176.117 -0.096 0.000 1.014 572 I CA -0.609 60.546 61.300 -0.242 0.000 1.340 572 I CB 1.029 38.780 38.000 -0.415 0.000 1.422 572 I HN 0.415 nan 8.210 nan 0.000 0.528 573 L N 4.619 125.765 121.223 -0.129 0.000 2.346 573 L HA 0.490 4.831 4.340 0.001 0.000 0.276 573 L C 0.076 176.910 176.870 -0.061 0.000 1.006 573 L CA -0.456 54.342 54.840 -0.071 0.000 0.817 573 L CB 2.189 44.179 42.059 -0.115 0.000 1.272 573 L HN 0.718 nan 8.230 nan 0.000 0.421 574 T N -0.925 113.612 114.554 -0.027 0.000 2.912 574 T HA 0.435 4.785 4.350 0.001 0.000 0.288 574 T C -2.234 172.457 174.700 -0.015 0.000 1.030 574 T CA -2.082 60.011 62.100 -0.011 0.000 1.020 574 T CB 1.990 70.876 68.868 0.030 0.000 1.056 574 T HN 0.210 nan 8.240 nan 0.000 0.480 575 P HA -0.251 nan 4.420 nan 0.000 0.217 575 P C 1.736 179.062 177.300 0.043 0.000 1.162 575 P CA 1.390 64.479 63.100 -0.019 0.000 0.901 575 P CB 0.093 31.757 31.700 -0.060 0.000 0.793 576 Q N 0.115 119.966 119.800 0.086 0.000 2.045 576 Q HA -0.275 4.065 4.340 0.001 0.000 0.206 576 Q C 2.309 178.400 176.000 0.151 0.000 0.991 576 Q CA 2.146 58.062 55.803 0.188 0.000 0.851 576 Q CB -0.440 28.349 28.738 0.085 0.000 0.911 576 Q HN 0.071 nan 8.270 nan 0.000 0.418 577 K N -0.090 120.344 120.400 0.057 0.000 2.044 577 K HA -0.226 4.094 4.320 0.001 0.000 0.210 577 K C 2.199 178.779 176.600 -0.033 0.000 1.049 577 K CA 1.510 57.803 56.287 0.011 0.000 0.927 577 K CB -0.334 32.158 32.500 -0.013 0.000 0.713 577 K HN 0.286 nan 8.250 nan 0.000 0.443 578 L N 1.646 122.836 121.223 -0.055 0.000 1.990 578 L HA -0.213 4.127 4.340 0.001 0.000 0.213 578 L C 2.066 178.891 176.870 -0.076 0.000 1.072 578 L CA 1.686 56.452 54.840 -0.124 0.000 0.755 578 L CB -0.410 41.594 42.059 -0.092 0.000 0.889 578 L HN 0.268 nan 8.230 nan 0.000 0.432 579 L N -0.976 120.237 121.223 -0.016 0.000 2.046 579 L HA -0.213 4.128 4.340 0.001 0.000 0.208 579 L C 2.325 179.213 176.870 0.030 0.000 1.077 579 L CA 1.378 56.179 54.840 -0.066 0.000 0.747 579 L CB -1.145 40.735 42.059 -0.298 0.000 0.896 579 L HN 0.313 nan 8.230 nan 0.000 0.432 580 D N 0.147 120.638 120.400 0.153 0.000 2.104 580 D HA -0.173 4.467 4.640 0.001 0.000 0.194 580 D C 2.240 178.592 176.300 0.086 0.000 0.994 580 D CA 2.217 56.309 54.000 0.154 0.000 0.830 580 D CB -0.353 40.518 40.800 0.118 0.000 0.959 580 D HN 0.433 nan 8.370 nan 0.000 0.452 581 T N -0.464 114.101 114.554 0.018 0.000 2.867 581 T HA -0.064 4.286 4.350 0.001 0.000 0.268 581 T C 2.380 177.242 174.700 0.271 0.000 1.057 581 T CA 0.512 62.645 62.100 0.054 0.000 1.136 581 T CB -0.509 68.162 68.868 -0.329 0.000 0.874 581 T HN 0.109 nan 8.240 nan 0.000 0.466 582 L N 0.800 122.144 121.223 0.202 0.000 2.005 582 L HA -0.007 4.334 4.340 0.001 0.000 0.207 582 L C 2.973 179.932 176.870 0.148 0.000 1.072 582 L CA 1.549 56.525 54.840 0.227 0.000 0.744 582 L CB -0.523 41.617 42.059 0.135 0.000 0.895 582 L HN 0.223 nan 8.230 nan 0.000 0.433 583 K N 0.821 121.281 120.400 0.100 0.000 2.293 583 K HA -0.213 4.107 4.320 0.001 0.000 0.204 583 K C 1.266 177.923 176.600 0.096 0.000 1.045 583 K CA 1.485 57.824 56.287 0.086 0.000 0.933 583 K CB 0.082 32.636 32.500 0.090 0.000 0.736 583 K HN 0.259 nan 8.250 nan 0.000 0.463 584 K N 0.318 120.788 120.400 0.116 0.000 2.446 584 K HA 0.125 4.446 4.320 0.001 0.000 0.203 584 K C 1.176 177.841 176.600 0.108 0.000 1.027 584 K CA -0.267 56.083 56.287 0.106 0.000 1.166 584 K CB 0.397 32.962 32.500 0.109 0.000 0.869 584 K HN 0.102 nan 8.250 nan 0.000 0.504 585 L N 1.376 122.654 121.223 0.093 0.000 2.004 585 L HA -0.126 4.214 4.340 0.001 0.000 0.205 585 L C 1.242 178.144 176.870 0.054 0.000 1.089 585 L CA 1.089 55.943 54.840 0.022 0.000 0.756 585 L CB -0.307 41.698 42.059 -0.091 0.000 0.900 585 L HN 0.335 nan 8.230 nan 0.000 0.440 586 N N 0.516 119.241 118.700 0.042 0.000 2.509 586 N HA 0.026 4.766 4.740 0.001 0.000 0.239 586 N C -0.590 175.114 175.510 0.323 0.000 1.215 586 N CA 0.170 53.327 53.050 0.177 0.000 0.882 586 N CB -0.268 38.280 38.487 0.103 0.000 1.189 586 N HN 0.287 nan 8.380 nan 0.000 0.490 587 K N -0.631 119.879 120.400 0.183 0.000 2.328 587 K HA 0.400 4.721 4.320 0.001 0.000 0.246 587 K C -0.224 176.274 176.600 -0.171 0.000 0.955 587 K CA -0.863 55.440 56.287 0.026 0.000 0.817 587 K CB 1.623 34.145 32.500 0.036 0.000 1.208 587 K HN 0.255 nan 8.250 nan 0.000 0.432 588 T N -1.639 112.805 114.554 -0.184 0.000 2.918 588 T HA 0.214 4.565 4.350 0.001 0.000 0.283 588 T C -0.219 174.421 174.700 -0.100 0.000 1.001 588 T CA -0.969 61.001 62.100 -0.217 0.000 1.041 588 T CB 0.607 69.370 68.868 -0.175 0.000 1.028 588 T HN 0.331 nan 8.240 nan 0.000 0.511 589 D N 1.941 122.292 120.400 -0.083 0.000 2.426 589 D HA 0.399 5.040 4.640 0.001 0.000 0.261 589 D C 0.951 177.238 176.300 -0.023 0.000 1.245 589 D CA 0.788 54.766 54.000 -0.037 0.000 0.917 589 D CB -0.076 40.708 40.800 -0.026 0.000 1.123 589 D HN 0.853 nan 8.370 nan 0.000 0.508 590 E N 0.000 120.194 120.200 -0.010 0.000 2.725 590 E HA 0.000 4.350 4.350 0.001 0.000 0.291 590 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 590 E CB 0.000 29.704 29.700 0.006 0.000 0.812 590 E HN 0.000 nan 8.360 nan 0.000 0.440