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 3ei5_1_B DATA FIRST_RESID 19 DATA SEQUENCE EYKTKVSRNS NMSKLQAGYL FPEIARRRSA HLLKYPDAQV ISLGIGDTTE DATA SEQUENCE PIPEVITSAM AKKAHELSTI EGYSGYGAEQ GAKPLRAAIA KTFYGGLGIG DATA SEQUENCE DDDVFVSDGA KCDISRLQVM FGSNVTIAVQ DPSYPAYVDS SVIMGQTGQF DATA SEQUENCE NTDVQKYGNI EYMRCTPENG FFPDLSTVGR TDIIFFCSPN NPTGAAATRE DATA SEQUENCE QLTQLVEFAK KNGSIIVYDS AYAMYMSDDN PRSIFEIPGA EEVAMETASF DATA SEQUENCE SKYAGFTGVR LGWTVIPKKL LYSDGFPVAK DFNRIICTCF NGASNISQAG DATA SEQUENCE ALACLTPEGL EAMHKVIGFY KENTNIIIDT FTSLGYDVYG GKNAPYVWVH DATA SEQUENCE FPNQSSWDVF AEILEKTHVV TTPGSGFGPG GEGFVRVSAF GHRENILEAC DATA SEQUENCE RRFKQLYKHH 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.639 176.600 0.064 0.000 1.382 19 E CA 0.000 56.433 56.400 0.055 0.000 0.976 19 E CB 0.000 29.723 29.700 0.039 0.000 0.812 20 Y N 2.676 122.975 120.300 -0.002 0.000 2.359 20 Y HA 0.418 4.968 4.550 0.000 0.000 0.330 20 Y C -0.649 175.250 175.900 -0.002 0.000 1.143 20 Y CA 0.519 58.618 58.100 -0.001 0.000 1.318 20 Y CB 0.906 39.366 38.460 -0.001 0.000 1.234 20 Y HN 0.468 nan 8.280 nan 0.000 0.522 21 K N 3.462 123.457 120.400 -0.675 0.000 2.426 21 K HA 0.343 4.663 4.320 -0.000 0.000 0.251 21 K C -0.378 175.801 176.600 -0.701 0.000 0.941 21 K CA -0.979 55.051 56.287 -0.429 0.000 0.808 21 K CB 1.776 34.130 32.500 -0.243 0.000 1.265 21 K HN 0.736 nan 8.250 nan 0.000 0.432 22 T N -1.374 113.044 114.554 -0.227 0.000 2.698 22 T HA 0.167 4.517 4.350 -0.000 0.000 0.295 22 T C 0.604 175.236 174.700 -0.113 0.000 1.007 22 T CA -0.322 61.728 62.100 -0.082 0.000 0.980 22 T CB 0.534 69.439 68.868 0.060 0.000 1.036 22 T HN 0.513 nan 8.240 nan 0.000 0.526 23 K N 0.096 120.466 120.400 -0.049 0.000 2.437 23 K HA 0.314 4.634 4.320 -0.000 0.000 0.205 23 K C 0.228 176.818 176.600 -0.018 0.000 1.026 23 K CA -0.278 55.985 56.287 -0.040 0.000 1.153 23 K CB 0.598 33.083 32.500 -0.025 0.000 0.863 23 K HN 0.485 nan 8.250 nan 0.000 0.502 24 V N 1.073 120.981 119.914 -0.009 0.000 2.455 24 V HA 0.158 4.278 4.120 -0.000 0.000 0.273 24 V C -0.230 175.859 176.094 -0.008 0.000 1.045 24 V CA -0.295 62.004 62.300 -0.002 0.000 0.976 24 V CB 1.234 33.063 31.823 0.009 0.000 0.993 24 V HN 0.117 nan 8.190 nan 0.000 0.475 25 S N 7.048 122.744 115.700 -0.007 0.000 2.510 25 S HA 0.283 4.753 4.470 -0.000 0.000 0.279 25 S C 0.287 174.884 174.600 -0.005 0.000 1.284 25 S CA -0.251 57.944 58.200 -0.008 0.000 1.059 25 S CB 0.200 63.397 63.200 -0.006 0.000 0.901 25 S HN 0.955 nan 8.310 nan 0.000 0.491 26 R N 2.891 123.388 120.500 -0.006 0.000 2.638 26 R HA -0.052 4.288 4.340 -0.000 0.000 0.268 26 R C 0.257 176.555 176.300 -0.002 0.000 1.006 26 R CA -0.242 55.855 56.100 -0.004 0.000 1.088 26 R CB 0.247 30.544 30.300 -0.005 0.000 0.950 26 R HN 0.546 nan 8.270 nan 0.000 0.419 27 N N 1.890 120.589 118.700 -0.002 0.000 2.414 27 N HA -0.097 4.643 4.740 -0.000 0.000 0.268 27 N C 0.583 176.093 175.510 0.000 0.000 1.286 27 N CA 0.759 53.808 53.050 -0.002 0.000 0.896 27 N CB 0.885 39.369 38.487 -0.005 0.000 1.093 27 N HN 0.656 nan 8.380 nan 0.000 0.480 28 S N 3.220 118.923 115.700 0.004 0.000 2.442 28 S HA -0.116 4.354 4.470 -0.000 0.000 0.236 28 S C 1.230 175.837 174.600 0.012 0.000 1.007 28 S CA 0.631 58.837 58.200 0.010 0.000 0.965 28 S CB -0.065 63.142 63.200 0.013 0.000 0.773 28 S HN 0.591 nan 8.310 nan 0.000 0.504 29 N N 1.289 119.991 118.700 0.004 0.000 2.354 29 N HA 0.117 4.856 4.740 -0.000 0.000 0.179 29 N C 1.462 176.964 175.510 -0.013 0.000 1.021 29 N CA 0.969 54.016 53.050 -0.005 0.000 0.887 29 N CB -0.364 38.114 38.487 -0.015 0.000 0.974 29 N HN 0.366 nan 8.380 nan 0.000 0.437 30 M N 0.473 120.067 119.600 -0.011 0.000 2.229 30 M HA 0.053 4.533 4.480 -0.000 0.000 0.264 30 M C 1.875 178.174 176.300 -0.001 0.000 1.063 30 M CA 0.832 56.124 55.300 -0.014 0.000 1.114 30 M CB -1.077 31.515 32.600 -0.014 0.000 1.387 30 M HN -0.045 nan 8.290 nan 0.000 0.420 31 S N 0.467 116.173 115.700 0.009 0.000 2.402 31 S HA -0.066 4.404 4.470 -0.000 0.000 0.229 31 S C 1.870 176.495 174.600 0.041 0.000 1.021 31 S CA 0.898 59.109 58.200 0.018 0.000 0.974 31 S CB -0.116 63.095 63.200 0.018 0.000 0.800 31 S HN 0.471 nan 8.310 nan 0.000 0.484 32 K N 0.864 121.301 120.400 0.060 0.000 2.147 32 K HA 0.004 4.323 4.320 -0.000 0.000 0.205 32 K C 0.198 176.919 176.600 0.201 0.000 1.049 32 K CA 0.500 56.868 56.287 0.134 0.000 0.936 32 K CB -0.425 32.150 32.500 0.126 0.000 0.722 32 K HN 0.322 nan 8.250 nan 0.000 0.446 33 L N 2.199 123.483 121.223 0.102 0.000 2.559 33 L HA -0.103 4.237 4.340 -0.000 0.000 0.274 33 L C 1.614 178.512 176.870 0.047 0.000 1.205 33 L CA -0.240 54.661 54.840 0.101 0.000 0.907 33 L CB 0.343 42.406 42.059 0.008 0.000 1.153 33 L HN 0.131 nan 8.230 nan 0.000 0.490 34 Q N 3.519 123.304 119.800 -0.025 0.000 2.167 34 Q HA 0.067 4.407 4.340 -0.000 0.000 0.202 34 Q C 0.235 176.098 176.000 -0.229 0.000 0.970 34 Q CA 1.396 57.020 55.803 -0.297 0.000 0.855 34 Q CB 0.390 28.516 28.738 -1.021 0.000 0.911 34 Q HN 0.785 nan 8.270 nan 0.000 0.438 35 A N -1.947 120.770 122.820 -0.173 0.000 2.557 35 A HA 0.697 5.017 4.320 -0.000 0.000 0.292 35 A C -0.118 177.412 177.584 -0.090 0.000 1.139 35 A CA -0.580 51.367 52.037 -0.150 0.000 0.665 35 A CB 0.065 18.943 19.000 -0.204 0.000 1.285 35 A HN 0.249 nan 8.150 nan 0.000 0.433 36 G N -1.176 107.575 108.800 -0.081 0.000 2.664 36 G HA2 0.409 4.369 3.960 -0.000 0.000 0.242 36 G HA3 0.409 4.369 3.960 -0.000 0.000 0.242 36 G C -0.130 174.768 174.900 -0.003 0.000 1.225 36 G CA 0.037 45.120 45.100 -0.029 0.000 0.849 36 G HN 1.027 nan 8.290 nan 0.000 0.581 37 Y N 0.940 121.184 120.300 -0.093 0.000 2.702 37 Y HA 0.043 4.593 4.550 -0.000 0.000 0.336 37 Y C 1.524 177.334 175.900 -0.151 0.000 1.235 37 Y CA -0.326 57.707 58.100 -0.112 0.000 1.492 37 Y CB 0.901 39.323 38.460 -0.063 0.000 1.308 37 Y HN 0.386 nan 8.280 nan 0.000 0.589 38 L N 5.176 125.891 121.223 -0.846 0.000 1.997 38 L HA -0.272 4.068 4.340 -0.000 0.000 0.216 38 L C 1.725 178.104 176.870 -0.818 0.000 1.074 38 L CA 2.064 56.354 54.840 -0.916 0.000 0.763 38 L CB -0.982 40.258 42.059 -1.365 0.000 0.890 38 L HN 0.755 nan 8.230 nan 0.000 0.434 39 F N -0.455 119.185 119.950 -0.518 0.000 2.146 39 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 39 F C -0.194 175.580 175.800 -0.044 0.000 1.096 39 F CA 1.201 59.083 58.000 -0.197 0.000 1.275 39 F CB -2.350 36.582 39.000 -0.115 0.000 1.008 39 F HN 0.203 nan 8.300 nan 0.000 0.480 40 P HA -0.190 nan 4.420 nan 0.000 0.216 40 P C 1.426 178.753 177.300 0.045 0.000 1.150 40 P CA 1.500 64.664 63.100 0.107 0.000 0.837 40 P CB 0.026 31.802 31.700 0.125 0.000 0.786 41 E N -0.001 120.186 120.200 -0.021 0.000 2.077 41 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 41 E C 1.898 178.508 176.600 0.017 0.000 0.989 41 E CA 1.242 57.620 56.400 -0.038 0.000 0.800 41 E CB -1.036 28.610 29.700 -0.090 0.000 0.746 41 E HN 0.034 nan 8.360 nan 0.000 0.452 42 I N 0.857 121.437 120.570 0.017 0.000 2.179 42 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 42 I C 2.371 178.606 176.117 0.197 0.000 1.088 42 I CA 1.415 62.771 61.300 0.093 0.000 1.357 42 I CB -1.710 36.329 38.000 0.065 0.000 1.051 42 I HN 0.203 nan 8.210 nan 0.000 0.409 43 A N 0.537 123.452 122.820 0.158 0.000 1.972 43 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 43 A C 2.526 180.191 177.584 0.135 0.000 1.169 43 A CA 1.509 53.640 52.037 0.156 0.000 0.635 43 A CB -0.639 18.445 19.000 0.139 0.000 0.810 43 A HN 0.319 nan 8.150 nan 0.000 0.446 44 R N -0.651 119.913 120.500 0.107 0.000 2.073 44 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 44 R C 2.431 178.801 176.300 0.116 0.000 1.134 44 R CA 1.743 57.894 56.100 0.084 0.000 0.952 44 R CB -0.211 30.113 30.300 0.041 0.000 0.850 44 R HN 0.495 nan 8.270 nan 0.000 0.433 45 R N -0.224 120.373 120.500 0.161 0.000 2.096 45 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 45 R C 2.299 178.757 176.300 0.263 0.000 1.127 45 R CA 1.896 58.140 56.100 0.239 0.000 0.968 45 R CB -0.180 30.354 30.300 0.389 0.000 0.861 45 R HN 0.225 nan 8.270 nan 0.000 0.440 46 R N -0.168 120.485 120.500 0.256 0.000 2.148 46 R HA 0.090 4.430 4.340 -0.000 0.000 0.223 46 R C 1.782 178.205 176.300 0.205 0.000 1.088 46 R CA 1.798 58.030 56.100 0.220 0.000 0.985 46 R CB -0.477 29.936 30.300 0.187 0.000 0.880 46 R HN -0.102 nan 8.270 nan 0.000 0.451 47 S N 0.652 116.447 115.700 0.159 0.000 2.368 47 S HA -0.010 4.460 4.470 -0.000 0.000 0.224 47 S C 2.056 176.719 174.600 0.105 0.000 1.029 47 S CA 1.111 59.383 58.200 0.119 0.000 0.988 47 S CB -0.378 62.875 63.200 0.088 0.000 0.838 47 S HN 0.595 nan 8.310 nan 0.000 0.462 48 A N 0.872 123.756 122.820 0.107 0.000 1.902 48 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 48 A C 1.827 179.451 177.584 0.067 0.000 1.181 48 A CA 2.077 54.155 52.037 0.069 0.000 0.623 48 A CB -1.005 18.036 19.000 0.068 0.000 0.818 48 A HN 0.651 nan 8.150 nan 0.000 0.443 49 H N -0.365 118.739 119.070 0.055 0.000 2.352 49 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 49 H C 1.697 177.069 175.328 0.073 0.000 1.097 49 H CA 2.004 58.096 56.048 0.074 0.000 1.311 49 H CB -0.185 29.666 29.762 0.147 0.000 1.377 49 H HN 0.374 nan 8.280 nan 0.000 0.504 50 L N -0.222 121.091 121.223 0.150 0.000 2.240 50 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 50 L C 2.310 179.181 176.870 0.001 0.000 1.106 50 L CA 0.141 55.034 54.840 0.089 0.000 0.793 50 L CB -0.182 41.952 42.059 0.126 0.000 0.927 50 L HN 0.377 nan 8.230 nan 0.000 0.446 51 L N 0.212 121.424 121.223 -0.019 0.000 1.990 51 L HA -0.313 4.026 4.340 -0.000 0.000 0.213 51 L C 2.651 179.438 176.870 -0.138 0.000 1.072 51 L CA 1.949 56.755 54.840 -0.057 0.000 0.755 51 L CB -0.593 41.436 42.059 -0.049 0.000 0.889 51 L HN 0.345 nan 8.230 nan 0.000 0.432 52 K N -0.735 119.503 120.400 -0.270 0.000 2.026 52 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 52 K C -0.164 176.092 176.600 -0.574 0.000 1.048 52 K CA 1.267 57.239 56.287 -0.526 0.000 0.929 52 K CB 0.070 32.082 32.500 -0.814 0.000 0.713 52 K HN 0.155 nan 8.250 nan 0.000 0.439 53 Y N -0.163 120.029 120.300 -0.179 0.000 2.863 53 Y HA 0.291 4.841 4.550 -0.000 0.000 0.348 53 Y C -2.193 173.643 175.900 -0.107 0.000 1.028 53 Y CA -2.860 55.145 58.100 -0.157 0.000 1.213 53 Y CB 1.387 39.714 38.460 -0.222 0.000 1.120 53 Y HN 0.123 nan 8.280 nan 0.000 0.598 54 P HA -0.074 nan 4.420 nan 0.000 0.225 54 P C 0.551 177.869 177.300 0.030 0.000 1.148 54 P CA 1.418 64.536 63.100 0.030 0.000 0.779 54 P CB 0.511 32.221 31.700 0.017 0.000 0.780 55 D N -1.234 119.179 120.400 0.021 0.000 2.363 55 D HA 0.169 4.809 4.640 -0.000 0.000 0.214 55 D C 0.580 176.846 176.300 -0.057 0.000 1.093 55 D CA -0.048 53.947 54.000 -0.009 0.000 0.837 55 D CB -0.156 40.636 40.800 -0.012 0.000 0.948 55 D HN 0.022 nan 8.370 nan 0.000 0.507 56 A N 1.200 123.975 122.820 -0.074 0.000 2.520 56 A HA 0.036 4.356 4.320 -0.000 0.000 0.245 56 A C 0.668 178.193 177.584 -0.097 0.000 1.072 56 A CA 0.030 51.933 52.037 -0.223 0.000 0.761 56 A CB 0.228 19.128 19.000 -0.168 0.000 1.004 56 A HN -0.022 nan 8.150 nan 0.000 0.499 57 Q N 2.711 122.435 119.800 -0.126 0.000 2.553 57 Q HA 0.198 4.538 4.340 -0.000 0.000 0.221 57 Q C -0.428 175.585 176.000 0.022 0.000 1.219 57 Q CA -0.174 55.613 55.803 -0.026 0.000 0.955 57 Q CB 0.145 28.869 28.738 -0.023 0.000 1.399 57 Q HN 0.483 nan 8.270 nan 0.000 0.551 58 V N 3.866 123.821 119.914 0.068 0.000 2.585 58 V HA 0.103 4.223 4.120 -0.000 0.000 0.296 58 V C 0.640 176.774 176.094 0.067 0.000 1.035 58 V CA 0.152 62.510 62.300 0.096 0.000 1.084 58 V CB 0.322 32.217 31.823 0.121 0.000 0.953 58 V HN 0.534 nan 8.190 nan 0.000 0.483 59 I N 4.106 124.704 120.570 0.048 0.000 2.330 59 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 59 I C 0.371 176.524 176.117 0.060 0.000 1.001 59 I CA 0.112 61.438 61.300 0.044 0.000 1.193 59 I CB 1.624 39.631 38.000 0.011 0.000 1.345 59 I HN 0.596 nan 8.210 nan 0.000 0.461 60 S N 7.413 123.164 115.700 0.084 0.000 2.404 60 S HA 0.468 4.938 4.470 -0.000 0.000 0.309 60 S C 0.233 174.919 174.600 0.144 0.000 1.076 60 S CA -0.544 57.725 58.200 0.114 0.000 1.095 60 S CB 0.156 63.427 63.200 0.118 0.000 0.972 60 S HN 0.566 nan 8.310 nan 0.000 0.484 61 L N 4.981 126.310 121.223 0.178 0.000 3.141 61 L HA 0.391 4.731 4.340 -0.000 0.000 0.267 61 L C 1.499 178.526 176.870 0.261 0.000 1.281 61 L CA -0.446 54.528 54.840 0.223 0.000 1.037 61 L CB -0.162 42.048 42.059 0.253 0.000 1.407 61 L HN 0.789 nan 8.230 nan 0.000 0.566 62 G N 0.467 109.425 108.800 0.264 0.000 2.549 62 G HA2 0.109 4.069 3.960 -0.000 0.000 0.219 62 G HA3 0.109 4.069 3.960 -0.000 0.000 0.219 62 G C 0.506 175.623 174.900 0.361 0.000 1.677 62 G CA -0.349 44.946 45.100 0.326 0.000 0.929 62 G HN 0.137 nan 8.290 nan 0.000 0.549 63 I N 2.388 123.149 120.570 0.319 0.000 2.775 63 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 63 I C 1.022 177.211 176.117 0.120 0.000 1.203 63 I CA -0.072 61.304 61.300 0.125 0.000 1.433 63 I CB 0.719 38.739 38.000 0.032 0.000 1.354 63 I HN 0.203 nan 8.210 nan 0.000 0.579 64 G N 6.397 115.258 108.800 0.102 0.000 2.916 64 G HA2 0.079 4.039 3.960 -0.000 0.000 0.280 64 G HA3 0.079 4.039 3.960 -0.000 0.000 0.280 64 G C -0.557 174.254 174.900 -0.148 0.000 0.758 64 G CA -0.237 45.047 45.100 0.306 0.000 1.993 64 G HN 0.707 nan 8.290 nan 0.000 0.564 65 D N 1.722 122.003 120.400 -0.198 0.000 2.278 65 D HA 0.399 5.038 4.640 -0.000 0.000 0.245 65 D C 0.935 176.929 176.300 -0.509 0.000 1.052 65 D CA -0.401 53.392 54.000 -0.345 0.000 0.834 65 D CB 1.361 42.085 40.800 -0.126 0.000 1.194 65 D HN 0.265 nan 8.370 nan 0.000 0.481 66 T N 0.419 114.603 114.554 -0.616 0.000 2.932 66 T HA 0.249 4.599 4.350 -0.000 0.000 0.312 66 T C 1.198 175.896 174.700 -0.003 0.000 1.071 66 T CA 0.121 62.014 62.100 -0.344 0.000 1.128 66 T CB 0.888 69.699 68.868 -0.095 0.000 0.984 66 T HN 0.482 nan 8.240 nan 0.000 0.549 67 T N -2.420 112.265 114.554 0.217 0.000 2.966 67 T HA 0.200 4.550 4.350 -0.000 0.000 0.254 67 T C 0.219 175.076 174.700 0.262 0.000 0.961 67 T CA -0.462 61.728 62.100 0.150 0.000 0.915 67 T CB 0.287 69.165 68.868 0.017 0.000 1.186 67 T HN 0.545 nan 8.240 nan 0.000 0.505 68 E N 2.981 123.399 120.200 0.363 0.000 2.349 68 E HA 0.461 4.811 4.350 -0.000 0.000 0.265 68 E C -2.512 174.185 176.600 0.162 0.000 1.064 68 E CA -2.585 53.945 56.400 0.217 0.000 0.886 68 E CB 0.119 29.812 29.700 -0.012 0.000 1.036 68 E HN 0.240 nan 8.360 nan 0.000 0.413 69 P HA 0.029 nan 4.420 nan 0.000 0.266 69 P C -0.057 177.300 177.300 0.095 0.000 1.193 69 P CA 0.221 63.370 63.100 0.083 0.000 0.770 69 P CB 0.342 32.065 31.700 0.038 0.000 0.836 70 I N 4.329 124.970 120.570 0.119 0.000 2.648 70 I HA 0.045 4.215 4.170 -0.000 0.000 0.284 70 I C -1.702 174.477 176.117 0.104 0.000 1.153 70 I CA -1.676 59.715 61.300 0.150 0.000 1.426 70 I CB -0.092 38.025 38.000 0.195 0.000 1.381 70 I HN 0.228 nan 8.210 nan 0.000 0.571 71 P HA -0.001 nan 4.420 nan 0.000 0.266 71 P C 0.388 177.726 177.300 0.063 0.000 1.195 71 P CA 0.049 63.187 63.100 0.064 0.000 0.768 71 P CB 0.545 32.282 31.700 0.061 0.000 0.838 72 E N 1.100 121.326 120.200 0.042 0.000 2.130 72 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 72 E C 1.676 178.301 176.600 0.042 0.000 0.998 72 E CA 0.913 57.336 56.400 0.039 0.000 0.806 72 E CB -0.197 29.519 29.700 0.027 0.000 0.738 72 E HN 0.188 nan 8.360 nan 0.000 0.459 73 V N 0.719 120.657 119.914 0.040 0.000 2.490 73 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 73 V C 1.827 177.949 176.094 0.048 0.000 1.061 73 V CA 1.516 63.838 62.300 0.036 0.000 1.064 73 V CB -0.134 31.706 31.823 0.027 0.000 0.670 73 V HN 0.250 nan 8.190 nan 0.000 0.461 74 I N 0.229 120.840 120.570 0.069 0.000 2.400 74 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 74 I C 2.628 178.809 176.117 0.106 0.000 1.109 74 I CA 1.673 63.033 61.300 0.101 0.000 1.425 74 I CB -0.650 37.436 38.000 0.144 0.000 1.094 74 I HN 0.467 nan 8.210 nan 0.000 0.425 75 T N -2.132 112.476 114.554 0.090 0.000 2.821 75 T HA -0.091 4.258 4.350 -0.000 0.000 0.267 75 T C 1.998 176.718 174.700 0.033 0.000 1.046 75 T CA 1.406 63.537 62.100 0.053 0.000 1.139 75 T CB -0.475 68.419 68.868 0.043 0.000 0.871 75 T HN 0.147 nan 8.240 nan 0.000 0.454 76 S N 2.008 117.731 115.700 0.039 0.000 2.370 76 S HA 0.029 4.499 4.470 -0.000 0.000 0.226 76 S C 2.634 177.255 174.600 0.035 0.000 1.033 76 S CA 1.056 59.279 58.200 0.038 0.000 1.011 76 S CB -0.883 62.341 63.200 0.039 0.000 0.852 76 S HN 0.779 nan 8.310 nan 0.000 0.457 77 A N 1.672 124.513 122.820 0.035 0.000 1.883 77 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 77 A C 2.169 179.762 177.584 0.015 0.000 1.186 77 A CA 1.584 53.639 52.037 0.029 0.000 0.624 77 A CB -0.637 18.383 19.000 0.032 0.000 0.822 77 A HN 0.470 nan 8.150 nan 0.000 0.444 78 M N -0.669 118.938 119.600 0.011 0.000 2.117 78 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 78 M C 2.558 178.821 176.300 -0.060 0.000 1.065 78 M CA 1.516 56.802 55.300 -0.023 0.000 1.114 78 M CB -0.506 32.072 32.600 -0.037 0.000 1.361 78 M HN 0.494 nan 8.290 nan 0.000 0.408 79 A N 0.214 122.996 122.820 -0.062 0.000 1.972 79 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 79 A C 2.178 179.673 177.584 -0.149 0.000 1.169 79 A CA 1.804 53.755 52.037 -0.145 0.000 0.635 79 A CB -0.633 18.326 19.000 -0.068 0.000 0.810 79 A HN 0.450 nan 8.150 nan 0.000 0.446 80 K N -0.384 120.021 120.400 0.009 0.000 2.057 80 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 80 K C 2.138 178.762 176.600 0.040 0.000 1.050 80 K CA 1.701 58.039 56.287 0.085 0.000 0.935 80 K CB -0.118 32.426 32.500 0.074 0.000 0.715 80 K HN 0.248 nan 8.250 nan 0.000 0.439 81 K N 0.982 121.378 120.400 -0.005 0.000 2.026 81 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 81 K C 1.757 178.338 176.600 -0.032 0.000 1.048 81 K CA 1.665 57.943 56.287 -0.015 0.000 0.929 81 K CB -0.595 31.889 32.500 -0.026 0.000 0.713 81 K HN 0.233 nan 8.250 nan 0.000 0.439 82 A N 0.875 123.639 122.820 -0.092 0.000 1.859 82 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 82 A C 2.059 179.595 177.584 -0.081 0.000 1.198 82 A CA 2.074 54.035 52.037 -0.127 0.000 0.629 82 A CB -1.184 17.680 19.000 -0.227 0.000 0.830 82 A HN 0.537 nan 8.150 nan 0.000 0.446 83 H N -0.201 118.877 119.070 0.013 0.000 2.321 83 H HA -0.166 4.390 4.556 -0.000 0.000 0.295 83 H C 2.036 177.379 175.328 0.026 0.000 1.102 83 H CA 1.904 57.963 56.048 0.017 0.000 1.266 83 H CB -0.593 29.177 29.762 0.013 0.000 1.363 83 H HN 0.706 nan 8.280 nan 0.000 0.492 84 E N 0.420 120.704 120.200 0.139 0.000 2.153 84 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 84 E C 2.387 179.047 176.600 0.100 0.000 0.988 84 E CA 0.326 56.782 56.400 0.094 0.000 0.811 84 E CB -0.108 29.626 29.700 0.057 0.000 0.746 84 E HN 0.345 nan 8.360 nan 0.000 0.466 85 L N 0.525 121.803 121.223 0.092 0.000 2.349 85 L HA -0.140 4.200 4.340 -0.000 0.000 0.220 85 L C 1.984 178.981 176.870 0.212 0.000 1.130 85 L CA 0.564 55.498 54.840 0.157 0.000 0.791 85 L CB -0.073 42.045 42.059 0.099 0.000 0.918 85 L HN 0.022 nan 8.230 nan 0.000 0.444 86 S N -1.302 114.478 115.700 0.133 0.000 2.593 86 S HA 0.012 4.482 4.470 -0.000 0.000 0.217 86 S C 0.783 175.423 174.600 0.067 0.000 0.966 86 S CA 0.229 58.482 58.200 0.090 0.000 0.914 86 S CB -0.126 63.125 63.200 0.085 0.000 0.776 86 S HN 0.561 nan 8.310 nan 0.000 0.523 87 T N -1.379 113.228 114.554 0.088 0.000 2.940 87 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 87 T C 1.269 176.014 174.700 0.075 0.000 1.033 87 T CA -0.812 61.325 62.100 0.063 0.000 1.033 87 T CB 0.786 69.688 68.868 0.056 0.000 1.079 87 T HN -0.120 nan 8.240 nan 0.000 0.496 88 I N 1.370 121.967 120.570 0.045 0.000 2.226 88 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 88 I C 2.785 178.946 176.117 0.074 0.000 1.100 88 I CA 1.577 62.905 61.300 0.046 0.000 1.374 88 I CB -0.940 37.071 38.000 0.019 0.000 1.057 88 I HN 0.867 nan 8.210 nan 0.000 0.413 89 E N 1.289 121.523 120.200 0.057 0.000 2.047 89 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 89 E C 2.093 178.729 176.600 0.061 0.000 0.987 89 E CA 1.661 58.092 56.400 0.051 0.000 0.799 89 E CB -0.884 28.836 29.700 0.034 0.000 0.752 89 E HN 0.408 nan 8.360 nan 0.000 0.449 90 G N 0.103 108.945 108.800 0.070 0.000 2.880 90 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.209 90 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.209 90 G C 0.233 175.172 174.900 0.066 0.000 1.157 90 G CA -0.276 44.858 45.100 0.058 0.000 0.779 90 G HN 0.299 nan 8.290 nan 0.000 0.539 91 Y N 3.028 123.328 120.300 -0.001 0.000 2.511 91 Y HA 0.392 4.942 4.550 0.000 0.000 0.332 91 Y C 0.295 176.187 175.900 -0.013 0.000 1.177 91 Y CA -0.725 57.369 58.100 -0.010 0.000 1.422 91 Y CB 0.801 39.252 38.460 -0.015 0.000 1.271 91 Y HN 0.091 nan 8.280 nan 0.000 0.550 92 S N 3.695 118.831 115.700 -0.940 0.000 2.549 92 S HA 0.833 5.303 4.470 -0.000 0.000 0.280 92 S C -0.043 173.887 174.600 -1.116 0.000 1.109 92 S CA -0.454 57.286 58.200 -0.768 0.000 0.905 92 S CB 1.626 64.629 63.200 -0.329 0.000 1.081 92 S HN 1.010 nan 8.310 nan 0.000 0.477 93 G N 0.316 108.776 108.800 -0.566 0.000 3.182 93 G HA2 0.467 4.427 3.960 -0.000 0.000 0.167 93 G HA3 0.467 4.427 3.960 -0.000 0.000 0.167 93 G C -0.877 173.885 174.900 -0.230 0.000 1.537 93 G CA -0.801 44.093 45.100 -0.343 0.000 1.046 93 G HN 0.624 nan 8.290 nan 0.000 0.580 94 Y N 1.082 121.343 120.300 -0.065 0.000 2.811 94 Y HA 0.339 4.888 4.550 -0.000 0.000 0.334 94 Y C 1.267 177.122 175.900 -0.075 0.000 1.247 94 Y CA 0.520 58.578 58.100 -0.069 0.000 1.526 94 Y CB 0.176 38.608 38.460 -0.047 0.000 1.284 94 Y HN 0.434 nan 8.280 nan 0.000 0.586 95 G N 0.915 109.776 108.800 0.102 0.000 2.511 95 G HA2 0.564 4.524 3.960 -0.000 0.000 0.316 95 G HA3 0.564 4.524 3.960 -0.000 0.000 0.316 95 G C -0.840 174.080 174.900 0.033 0.000 1.210 95 G CA -0.671 44.452 45.100 0.038 0.000 0.969 95 G HN 0.897 nan 8.290 nan 0.000 0.492 96 A N -0.275 122.557 122.820 0.021 0.000 2.561 96 A HA 0.227 4.547 4.320 -0.000 0.000 0.251 96 A C 1.187 178.787 177.584 0.026 0.000 1.062 96 A CA 0.450 52.497 52.037 0.016 0.000 0.761 96 A CB -0.051 18.956 19.000 0.011 0.000 0.986 96 A HN 0.763 nan 8.150 nan 0.000 0.510 97 E N 1.411 121.623 120.200 0.020 0.000 2.160 97 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 97 E C 1.844 178.541 176.600 0.161 0.000 0.991 97 E CA 1.727 58.154 56.400 0.044 0.000 0.810 97 E CB -0.037 29.685 29.700 0.037 0.000 0.742 97 E HN 0.861 nan 8.360 nan 0.000 0.466 98 Q N -0.628 119.254 119.800 0.136 0.000 2.364 98 Q HA 0.009 4.349 4.340 -0.000 0.000 0.209 98 Q C 0.449 176.529 176.000 0.135 0.000 0.977 98 Q CA 0.693 56.575 55.803 0.133 0.000 0.885 98 Q CB 0.214 28.892 28.738 -0.099 0.000 0.941 98 Q HN 0.273 nan 8.270 nan 0.000 0.464 99 G N -0.424 108.443 108.800 0.110 0.000 2.515 99 G HA2 0.040 4.000 3.960 -0.000 0.000 0.686 99 G HA3 0.040 4.000 3.960 -0.000 0.000 0.686 99 G C -0.935 174.000 174.900 0.059 0.000 1.274 99 G CA -0.721 44.446 45.100 0.111 0.000 0.874 99 G HN 0.300 nan 8.290 nan 0.000 0.631 100 A N 0.849 123.702 122.820 0.055 0.000 2.546 100 A HA 0.494 4.814 4.320 -0.000 0.000 0.243 100 A C 1.619 179.216 177.584 0.022 0.000 1.063 100 A CA 1.370 53.425 52.037 0.030 0.000 0.757 100 A CB 0.437 19.453 19.000 0.027 0.000 0.991 100 A HN 1.222 nan 8.150 nan 0.000 0.503 101 K N 2.442 122.847 120.400 0.007 0.000 2.032 101 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 101 K C -0.945 175.656 176.600 0.002 0.000 1.048 101 K CA 2.042 58.327 56.287 -0.002 0.000 0.927 101 K CB -0.903 31.591 32.500 -0.010 0.000 0.712 101 K HN 0.559 nan 8.250 nan 0.000 0.441 102 P HA -0.160 nan 4.420 nan 0.000 0.218 102 P C 1.296 178.604 177.300 0.014 0.000 1.148 102 P CA 0.851 63.954 63.100 0.005 0.000 0.822 102 P CB 0.021 31.723 31.700 0.004 0.000 0.784 103 L N -0.231 121.008 121.223 0.027 0.000 2.044 103 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 103 L C 2.288 179.186 176.870 0.048 0.000 1.075 103 L CA 1.680 56.549 54.840 0.047 0.000 0.747 103 L CB -0.924 41.179 42.059 0.073 0.000 0.903 103 L HN -0.236 nan 8.230 nan 0.000 0.435 104 R N -0.152 120.372 120.500 0.041 0.000 2.103 104 R HA -0.199 4.141 4.340 -0.000 0.000 0.242 104 R C 2.202 178.508 176.300 0.011 0.000 1.142 104 R CA 1.472 57.586 56.100 0.024 0.000 0.960 104 R CB -0.827 29.471 30.300 -0.003 0.000 0.858 104 R HN 0.560 nan 8.270 nan 0.000 0.439 105 A N 1.247 124.071 122.820 0.006 0.000 1.873 105 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 105 A C 2.417 180.003 177.584 0.004 0.000 1.186 105 A CA 1.522 53.561 52.037 0.002 0.000 0.616 105 A CB -0.611 18.386 19.000 -0.005 0.000 0.823 105 A HN 0.391 nan 8.150 nan 0.000 0.442 106 A N 0.008 122.830 122.820 0.003 0.000 1.902 106 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 106 A C 2.140 179.720 177.584 -0.007 0.000 1.181 106 A CA 1.599 53.632 52.037 -0.006 0.000 0.623 106 A CB -0.626 18.378 19.000 0.008 0.000 0.818 106 A HN 0.501 nan 8.150 nan 0.000 0.443 107 I N -0.360 120.216 120.570 0.011 0.000 2.142 107 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 107 I C 3.035 179.215 176.117 0.106 0.000 1.078 107 I CA 1.067 62.361 61.300 -0.009 0.000 1.343 107 I CB -0.467 37.362 38.000 -0.285 0.000 1.046 107 I HN 0.360 nan 8.210 nan 0.000 0.405 108 A N 0.939 123.830 122.820 0.119 0.000 1.892 108 A HA -0.277 4.042 4.320 -0.000 0.000 0.218 108 A C 2.311 179.987 177.584 0.153 0.000 1.188 108 A CA 2.089 54.254 52.037 0.213 0.000 0.631 108 A CB -0.548 18.510 19.000 0.096 0.000 0.822 108 A HN 0.359 nan 8.150 nan 0.000 0.447 109 K N -1.333 119.092 120.400 0.042 0.000 2.062 109 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 109 K C 2.160 178.712 176.600 -0.080 0.000 1.051 109 K CA 1.654 57.935 56.287 -0.009 0.000 0.941 109 K CB -0.326 32.153 32.500 -0.036 0.000 0.719 109 K HN 0.471 nan 8.250 nan 0.000 0.440 110 T N 0.424 114.879 114.554 -0.165 0.000 2.770 110 T HA -0.051 4.298 4.350 -0.000 0.000 0.263 110 T C 1.397 175.765 174.700 -0.553 0.000 1.039 110 T CA 1.249 63.113 62.100 -0.393 0.000 1.142 110 T CB -0.146 68.379 68.868 -0.573 0.000 0.868 110 T HN 0.075 nan 8.240 nan 0.000 0.435 111 F N -0.887 118.856 119.950 -0.345 0.000 2.656 111 F HA 0.275 4.802 4.527 -0.000 0.000 0.291 111 F C 0.830 176.191 175.800 -0.731 0.000 1.122 111 F CA -0.044 57.578 58.000 -0.630 0.000 1.427 111 F CB 0.247 38.657 39.000 -0.983 0.000 1.125 111 F HN 0.149 nan 8.300 nan 0.000 0.583 112 Y N -0.773 119.650 120.300 0.206 0.000 2.738 112 Y HA 0.395 4.945 4.550 -0.000 0.000 0.249 112 Y C 1.215 177.159 175.900 0.074 0.000 1.157 112 Y CA -1.279 56.924 58.100 0.171 0.000 1.189 112 Y CB -0.325 38.242 38.460 0.177 0.000 1.262 112 Y HN -0.131 nan 8.280 nan 0.000 0.554 113 G N 0.481 109.340 108.800 0.098 0.000 2.248 113 G HA2 0.354 4.314 3.960 -0.000 0.000 0.260 113 G HA3 0.354 4.314 3.960 -0.000 0.000 0.260 113 G C 1.094 176.026 174.900 0.054 0.000 1.214 113 G CA 0.712 45.842 45.100 0.050 0.000 0.979 113 G HN 0.773 nan 8.290 nan 0.000 0.454 114 G N 1.394 110.225 108.800 0.051 0.000 2.176 114 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.232 114 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.232 114 G C 0.885 175.820 174.900 0.060 0.000 0.986 114 G CA 0.316 45.442 45.100 0.043 0.000 0.643 114 G HN 0.824 nan 8.290 nan 0.000 0.522 115 L N 0.399 121.677 121.223 0.091 0.000 2.769 115 L HA 0.481 4.821 4.340 -0.000 0.000 0.240 115 L C 1.905 178.787 176.870 0.020 0.000 1.163 115 L CA 0.435 55.335 54.840 0.101 0.000 0.962 115 L CB 0.184 42.376 42.059 0.222 0.000 1.258 115 L HN 0.930 nan 8.230 nan 0.000 0.513 116 G N 1.064 109.863 108.800 -0.002 0.000 2.147 116 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 116 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 116 G C 0.056 174.891 174.900 -0.109 0.000 1.005 116 G CA -0.311 44.759 45.100 -0.049 0.000 0.713 116 G HN 0.163 nan 8.290 nan 0.000 0.515 117 I N 1.606 122.116 120.570 -0.100 0.000 2.325 117 I HA 0.503 4.673 4.170 -0.000 0.000 0.291 117 I C 1.250 177.320 176.117 -0.079 0.000 1.019 117 I CA -0.499 60.703 61.300 -0.164 0.000 1.302 117 I CB 0.615 38.499 38.000 -0.195 0.000 1.401 117 I HN 0.154 nan 8.210 nan 0.000 0.485 118 G N 4.197 112.940 108.800 -0.094 0.000 2.476 118 G HA2 0.243 4.203 3.960 -0.000 0.000 0.286 118 G HA3 0.243 4.203 3.960 -0.000 0.000 0.286 118 G C 0.526 175.392 174.900 -0.058 0.000 1.177 118 G CA -0.358 44.705 45.100 -0.062 0.000 0.870 118 G HN 0.592 nan 8.290 nan 0.000 0.528 119 D N 0.155 120.528 120.400 -0.045 0.000 2.158 119 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 119 D C 2.000 178.245 176.300 -0.091 0.000 0.995 119 D CA 1.587 55.559 54.000 -0.047 0.000 0.846 119 D CB 0.101 40.878 40.800 -0.039 0.000 0.941 119 D HN 0.618 nan 8.370 nan 0.000 0.456 120 D N -0.042 120.294 120.400 -0.106 0.000 2.355 120 D HA -0.096 4.544 4.640 -0.000 0.000 0.218 120 D C 0.599 176.764 176.300 -0.224 0.000 1.004 120 D CA 0.366 54.269 54.000 -0.162 0.000 0.880 120 D CB -0.151 40.583 40.800 -0.109 0.000 0.911 120 D HN 0.086 nan 8.370 nan 0.000 0.528 121 D N 0.439 120.752 120.400 -0.145 0.000 2.349 121 D HA 0.039 4.679 4.640 -0.000 0.000 0.215 121 D C 0.380 176.680 176.300 0.001 0.000 1.016 121 D CA 0.096 54.061 54.000 -0.058 0.000 0.870 121 D CB 0.916 41.665 40.800 -0.086 0.000 0.917 121 D HN 0.121 nan 8.370 nan 0.000 0.524 122 V N 1.268 121.117 119.914 -0.109 0.000 2.439 122 V HA 0.291 4.411 4.120 -0.000 0.000 0.282 122 V C -0.406 175.627 176.094 -0.102 0.000 1.039 122 V CA -0.560 61.774 62.300 0.057 0.000 0.913 122 V CB 0.991 32.851 31.823 0.062 0.000 0.983 122 V HN -0.135 nan 8.190 nan 0.000 0.460 123 F N 3.112 123.233 119.950 0.286 0.000 2.434 123 F HA 0.486 5.013 4.527 -0.000 0.000 0.355 123 F C 0.090 176.109 175.800 0.367 0.000 1.115 123 F CA -0.746 57.449 58.000 0.325 0.000 1.010 123 F CB 1.703 40.980 39.000 0.461 0.000 1.234 123 F HN 0.188 nan 8.300 nan 0.000 0.439 124 V N 3.401 123.590 119.914 0.458 0.000 2.555 124 V HA 0.452 4.572 4.120 -0.000 0.000 0.286 124 V C 0.221 176.596 176.094 0.470 0.000 1.044 124 V CA -0.149 62.425 62.300 0.457 0.000 1.026 124 V CB 1.077 33.112 31.823 0.354 0.000 0.981 124 V HN 0.864 nan 8.190 nan 0.000 0.480 125 S N 2.102 118.048 115.700 0.410 0.000 2.745 125 S HA 0.437 4.907 4.470 -0.000 0.000 0.306 125 S C 0.122 174.920 174.600 0.330 0.000 1.137 125 S CA -0.454 57.921 58.200 0.291 0.000 0.900 125 S CB 1.814 65.054 63.200 0.065 0.000 1.176 125 S HN 0.762 nan 8.310 nan 0.000 0.520 126 D N -0.412 120.155 120.400 0.279 0.000 2.352 126 D HA 0.393 5.033 4.640 -0.000 0.000 0.236 126 D C 0.734 177.117 176.300 0.138 0.000 1.148 126 D CA 0.361 54.511 54.000 0.250 0.000 0.844 126 D CB -0.567 40.408 40.800 0.291 0.000 0.933 126 D HN 1.205 nan 8.370 nan 0.000 0.507 127 G N -1.345 107.513 108.800 0.097 0.000 2.335 127 G HA2 0.249 4.209 3.960 -0.000 0.000 0.592 127 G HA3 0.249 4.209 3.960 -0.000 0.000 0.592 127 G C 0.388 175.268 174.900 -0.034 0.000 1.442 127 G CA -0.250 44.870 45.100 0.032 0.000 0.976 127 G HN 0.285 nan 8.290 nan 0.000 0.652 128 A N 0.341 123.105 122.820 -0.094 0.000 1.968 128 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 128 A C 2.188 179.764 177.584 -0.014 0.000 1.169 128 A CA 2.281 54.256 52.037 -0.103 0.000 0.638 128 A CB -0.349 18.529 19.000 -0.203 0.000 0.812 128 A HN 0.824 nan 8.150 nan 0.000 0.446 129 K N -0.313 120.092 120.400 0.007 0.000 2.063 129 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 129 K C 1.980 178.581 176.600 0.002 0.000 1.048 129 K CA 1.916 58.234 56.287 0.053 0.000 0.928 129 K CB -0.430 32.101 32.500 0.051 0.000 0.713 129 K HN 0.598 nan 8.250 nan 0.000 0.442 130 C N 0.987 120.272 119.300 -0.026 0.000 2.446 130 C HA -0.053 4.406 4.460 -0.000 0.000 0.277 130 C C 2.194 177.148 174.990 -0.060 0.000 1.275 130 C CA 0.403 59.384 59.018 -0.062 0.000 1.727 130 C CB -0.781 26.901 27.740 -0.097 0.000 2.010 130 C HN 0.526 nan 8.230 nan 0.000 0.486 131 D N 1.126 121.505 120.400 -0.035 0.000 2.117 131 D HA -0.064 4.576 4.640 -0.000 0.000 0.197 131 D C 1.935 178.263 176.300 0.046 0.000 0.987 131 D CA 1.028 55.039 54.000 0.018 0.000 0.829 131 D CB -0.392 40.416 40.800 0.012 0.000 0.961 131 D HN 0.458 nan 8.370 nan 0.000 0.460 132 I N 0.563 121.178 120.570 0.075 0.000 2.151 132 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 132 I C 2.394 178.575 176.117 0.106 0.000 1.080 132 I CA 1.036 62.428 61.300 0.154 0.000 1.339 132 I CB -0.218 37.907 38.000 0.208 0.000 1.039 132 I HN -0.098 nan 8.210 nan 0.000 0.409 133 S N -0.050 115.672 115.700 0.036 0.000 2.387 133 S HA -0.089 4.380 4.470 -0.000 0.000 0.226 133 S C 2.054 176.664 174.600 0.017 0.000 1.026 133 S CA 0.981 59.186 58.200 0.009 0.000 0.972 133 S CB -0.171 63.006 63.200 -0.039 0.000 0.814 133 S HN 0.333 nan 8.310 nan 0.000 0.477 134 R N 0.688 121.199 120.500 0.017 0.000 2.096 134 R HA 0.035 4.375 4.340 -0.000 0.000 0.235 134 R C 2.150 178.501 176.300 0.086 0.000 1.127 134 R CA 0.990 57.113 56.100 0.038 0.000 0.968 134 R CB -0.445 29.868 30.300 0.021 0.000 0.861 134 R HN 0.345 nan 8.270 nan 0.000 0.440 135 L N 0.589 121.847 121.223 0.058 0.000 2.046 135 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 135 L C 2.597 179.320 176.870 -0.244 0.000 1.077 135 L CA 1.219 55.935 54.840 -0.207 0.000 0.747 135 L CB -0.383 41.530 42.059 -0.244 0.000 0.896 135 L HN 0.230 nan 8.230 nan 0.000 0.432 136 Q N -0.516 119.316 119.800 0.053 0.000 2.119 136 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 136 Q C 2.429 178.492 176.000 0.105 0.000 0.972 136 Q CA 1.327 57.239 55.803 0.181 0.000 0.847 136 Q CB -0.388 28.453 28.738 0.172 0.000 0.903 136 Q HN 0.402 nan 8.270 nan 0.000 0.433 137 V N 1.553 121.492 119.914 0.040 0.000 2.332 137 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 137 V C 2.421 178.528 176.094 0.022 0.000 1.055 137 V CA 1.933 64.249 62.300 0.027 0.000 1.038 137 V CB -0.652 31.174 31.823 0.006 0.000 0.651 137 V HN 0.387 nan 8.190 nan 0.000 0.450 138 M N -0.668 118.915 119.600 -0.029 0.000 2.067 138 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 138 M C 2.192 178.508 176.300 0.027 0.000 1.069 138 M CA 2.278 57.552 55.300 -0.043 0.000 1.117 138 M CB -0.266 32.272 32.600 -0.103 0.000 1.334 138 M HN 0.313 nan 8.290 nan 0.000 0.407 139 F N 0.842 120.872 119.950 0.133 0.000 2.134 139 F HA 0.113 4.640 4.527 -0.000 0.000 0.299 139 F C 1.938 177.772 175.800 0.056 0.000 1.097 139 F CA 1.180 59.251 58.000 0.117 0.000 1.264 139 F CB -1.494 37.574 39.000 0.114 0.000 1.001 139 F HN 0.446 nan 8.300 nan 0.000 0.479 140 G N -0.555 108.387 108.800 0.237 0.000 2.698 140 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.225 140 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.225 140 G C 0.745 175.712 174.900 0.112 0.000 1.345 140 G CA 0.059 45.234 45.100 0.124 0.000 0.871 140 G HN 0.565 nan 8.290 nan 0.000 0.540 141 S N -1.140 114.597 115.700 0.062 0.000 2.501 141 S HA 0.053 4.523 4.470 -0.000 0.000 0.220 141 S C 1.327 175.949 174.600 0.037 0.000 0.997 141 S CA 1.216 59.443 58.200 0.046 0.000 0.919 141 S CB -0.009 63.207 63.200 0.026 0.000 0.778 141 S HN 0.670 nan 8.310 nan 0.000 0.523 142 N N 1.414 120.133 118.700 0.032 0.000 2.322 142 N HA 0.184 4.924 4.740 -0.000 0.000 0.194 142 N C 0.083 175.599 175.510 0.011 0.000 1.126 142 N CA 0.037 53.096 53.050 0.015 0.000 0.845 142 N CB 0.851 39.338 38.487 -0.001 0.000 0.976 142 N HN 0.475 nan 8.380 nan 0.000 0.475 143 V N -1.277 118.651 119.914 0.023 0.000 2.837 143 V HA 0.586 4.706 4.120 -0.000 0.000 0.310 143 V C 0.450 176.543 176.094 -0.001 0.000 1.059 143 V CA -0.826 61.470 62.300 -0.007 0.000 1.004 143 V CB 1.395 33.191 31.823 -0.044 0.000 1.045 143 V HN 0.038 nan 8.190 nan 0.000 0.465 144 T N 1.973 116.515 114.554 -0.020 0.000 2.895 144 T HA 0.795 5.145 4.350 -0.000 0.000 0.283 144 T C -0.244 174.451 174.700 -0.008 0.000 1.014 144 T CA -0.464 61.636 62.100 -0.000 0.000 1.037 144 T CB 1.554 70.424 68.868 0.004 0.000 1.006 144 T HN 1.290 nan 8.240 nan 0.000 0.468 145 I N -0.967 119.621 120.570 0.030 0.000 2.957 145 I HA 0.944 5.113 4.170 -0.000 0.000 0.310 145 I C -0.701 175.444 176.117 0.047 0.000 1.063 145 I CA -1.713 59.626 61.300 0.066 0.000 1.033 145 I CB 1.864 39.999 38.000 0.225 0.000 1.230 145 I HN 0.897 nan 8.210 nan 0.000 0.447 146 A N 3.508 126.371 122.820 0.072 0.000 2.401 146 A HA 0.868 5.188 4.320 -0.000 0.000 0.310 146 A C -0.657 176.974 177.584 0.079 0.000 1.075 146 A CA -0.451 51.613 52.037 0.046 0.000 0.746 146 A CB 1.691 20.736 19.000 0.074 0.000 1.277 146 A HN 1.346 nan 8.150 nan 0.000 0.425 147 V N -0.187 119.723 119.914 -0.007 0.000 3.078 147 V HA 0.631 4.751 4.120 -0.000 0.000 0.311 147 V C -0.494 175.600 176.094 -0.000 0.000 1.138 147 V CA -1.026 61.286 62.300 0.019 0.000 1.007 147 V CB 1.201 33.019 31.823 -0.008 0.000 1.045 147 V HN 0.963 nan 8.190 nan 0.000 0.432 148 Q N 1.322 121.106 119.800 -0.027 0.000 2.395 148 Q HA 0.331 4.671 4.340 -0.000 0.000 0.271 148 Q C -0.872 175.142 176.000 0.023 0.000 1.026 148 Q CA 0.650 56.412 55.803 -0.069 0.000 0.900 148 Q CB 0.457 29.060 28.738 -0.225 0.000 1.266 148 Q HN 0.866 nan 8.270 nan 0.000 0.430 149 D N 2.379 122.810 120.400 0.052 0.000 2.469 149 D HA 0.301 4.941 4.640 -0.000 0.000 0.251 149 D C -2.594 173.743 176.300 0.063 0.000 1.173 149 D CA -2.088 51.996 54.000 0.140 0.000 0.882 149 D CB 1.267 42.219 40.800 0.254 0.000 1.129 149 D HN 0.143 nan 8.370 nan 0.000 0.549 150 P HA 0.328 nan 4.420 nan 0.000 0.276 150 P C -0.687 176.569 177.300 -0.074 0.000 1.252 150 P CA -0.509 62.600 63.100 0.016 0.000 0.802 150 P CB 1.529 33.176 31.700 -0.089 0.000 1.035 151 S N -0.353 115.380 115.700 0.054 0.000 2.588 151 S HA 0.278 4.748 4.470 -0.000 0.000 0.269 151 S C -1.476 173.253 174.600 0.216 0.000 1.157 151 S CA -0.565 57.678 58.200 0.071 0.000 0.824 151 S CB 0.291 63.591 63.200 0.167 0.000 1.126 151 S HN 0.373 nan 8.310 nan 0.000 0.464 152 Y N 4.910 125.220 120.300 0.016 0.000 2.887 152 Y HA 0.122 4.672 4.550 -0.000 0.000 0.350 152 Y C -1.573 174.192 175.900 -0.226 0.000 1.294 152 Y CA -0.909 57.164 58.100 -0.045 0.000 1.622 152 Y CB 0.612 38.910 38.460 -0.270 0.000 1.201 152 Y HN 0.434 nan 8.280 nan 0.000 0.546 153 P HA -0.117 nan 4.420 nan 0.000 0.230 153 P C 0.937 177.971 177.300 -0.445 0.000 1.158 153 P CA 1.565 64.441 63.100 -0.373 0.000 0.769 153 P CB -0.063 31.414 31.700 -0.372 0.000 0.807 154 A N -0.755 121.521 122.820 -0.906 0.000 2.019 154 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 154 A C 1.860 179.138 177.584 -0.510 0.000 1.164 154 A CA 1.107 52.742 52.037 -0.671 0.000 0.644 154 A CB -1.454 17.099 19.000 -0.745 0.000 0.805 154 A HN 0.102 nan 8.150 nan 0.000 0.449 155 Y N -0.475 119.578 120.300 -0.412 0.000 2.133 155 Y HA -0.096 4.454 4.550 -0.000 0.000 0.287 155 Y C 2.561 178.164 175.900 -0.495 0.000 1.134 155 Y CA 0.761 58.479 58.100 -0.636 0.000 1.133 155 Y CB -1.302 36.671 38.460 -0.812 0.000 0.987 155 Y HN 0.050 nan 8.280 nan 0.000 0.502 156 V N 0.600 120.403 119.914 -0.185 0.000 2.261 156 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 156 V C 1.916 177.887 176.094 -0.206 0.000 1.047 156 V CA 2.281 64.492 62.300 -0.150 0.000 1.015 156 V CB -0.652 31.167 31.823 -0.007 0.000 0.642 156 V HN 0.313 nan 8.190 nan 0.000 0.446 157 D N 0.452 120.740 120.400 -0.187 0.000 2.123 157 D HA -0.138 4.501 4.640 -0.000 0.000 0.196 157 D C 2.428 178.607 176.300 -0.202 0.000 0.992 157 D CA 1.826 55.709 54.000 -0.195 0.000 0.833 157 D CB -0.404 40.331 40.800 -0.108 0.000 0.954 157 D HN 0.601 nan 8.370 nan 0.000 0.455 158 S N -0.370 115.214 115.700 -0.194 0.000 2.402 158 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 158 S C 2.042 176.580 174.600 -0.104 0.000 1.021 158 S CA 1.359 59.475 58.200 -0.141 0.000 0.974 158 S CB -0.280 62.851 63.200 -0.114 0.000 0.800 158 S HN 0.153 nan 8.310 nan 0.000 0.484 159 S N 0.997 116.618 115.700 -0.131 0.000 2.368 159 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 159 S C 1.847 176.382 174.600 -0.108 0.000 1.029 159 S CA 1.218 59.370 58.200 -0.080 0.000 0.988 159 S CB -0.678 62.474 63.200 -0.081 0.000 0.838 159 S HN 0.426 nan 8.310 nan 0.000 0.462 160 V N 2.005 121.792 119.914 -0.213 0.000 2.295 160 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 160 V C 2.335 178.348 176.094 -0.134 0.000 1.049 160 V CA 2.029 64.180 62.300 -0.248 0.000 1.024 160 V CB -0.681 30.844 31.823 -0.496 0.000 0.648 160 V HN 0.506 nan 8.190 nan 0.000 0.447 161 I N -0.685 119.810 120.570 -0.124 0.000 2.264 161 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 161 I C 2.276 178.367 176.117 -0.044 0.000 1.111 161 I CA 1.417 62.670 61.300 -0.078 0.000 1.382 161 I CB -0.247 37.703 38.000 -0.083 0.000 1.060 161 I HN 0.270 nan 8.210 nan 0.000 0.418 162 M N -0.136 119.445 119.600 -0.032 0.000 2.618 162 M HA 0.131 4.611 4.480 -0.000 0.000 0.240 162 M C 1.521 177.826 176.300 0.007 0.000 1.123 162 M CA 0.747 56.047 55.300 0.001 0.000 1.060 162 M CB -0.853 31.768 32.600 0.035 0.000 1.535 162 M HN 0.445 nan 8.290 nan 0.000 0.507 163 G N 0.443 109.240 108.800 -0.006 0.000 2.132 163 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.234 163 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.234 163 G C 0.742 175.651 174.900 0.015 0.000 0.989 163 G CA 0.369 45.472 45.100 0.005 0.000 0.676 163 G HN 0.497 nan 8.290 nan 0.000 0.522 164 Q N -0.080 119.728 119.800 0.014 0.000 2.425 164 Q HA 0.198 4.538 4.340 -0.000 0.000 0.204 164 Q C 1.511 177.528 176.000 0.028 0.000 0.933 164 Q CA 1.188 57.007 55.803 0.027 0.000 0.939 164 Q CB 0.421 29.183 28.738 0.040 0.000 1.044 164 Q HN 0.763 nan 8.270 nan 0.000 0.513 165 T N -3.847 110.721 114.554 0.023 0.000 2.907 165 T HA 0.696 5.046 4.350 -0.000 0.000 0.290 165 T C 0.334 175.083 174.700 0.082 0.000 1.066 165 T CA -0.502 61.631 62.100 0.055 0.000 1.012 165 T CB 1.917 70.806 68.868 0.036 0.000 1.184 165 T HN 0.074 nan 8.240 nan 0.000 0.522 166 G N 0.026 108.903 108.800 0.127 0.000 2.583 166 G HA2 0.539 4.499 3.960 -0.000 0.000 0.280 166 G HA3 0.539 4.499 3.960 -0.000 0.000 0.280 166 G C -0.385 174.641 174.900 0.210 0.000 1.376 166 G CA -0.766 44.411 45.100 0.129 0.000 1.043 166 G HN 0.790 nan 8.290 nan 0.000 0.538 167 Q N -1.084 118.827 119.800 0.185 0.000 2.471 167 Q HA 0.157 4.497 4.340 -0.000 0.000 0.223 167 Q C -0.889 175.277 176.000 0.277 0.000 1.045 167 Q CA -0.321 55.627 55.803 0.241 0.000 0.956 167 Q CB 1.016 29.840 28.738 0.142 0.000 1.249 167 Q HN 0.327 nan 8.270 nan 0.000 0.549 168 F N 2.122 122.094 119.950 0.036 0.000 2.427 168 F HA 0.092 4.619 4.527 -0.000 0.000 0.352 168 F C 0.362 176.070 175.800 -0.152 0.000 1.100 168 F CA -0.468 57.366 58.000 -0.277 0.000 1.191 168 F CB 0.506 39.209 39.000 -0.496 0.000 1.128 168 F HN 0.327 nan 8.300 nan 0.000 0.533 169 N N 3.628 121.954 118.700 -0.623 0.000 2.469 169 N HA 0.087 4.826 4.740 -0.000 0.000 0.253 169 N C 0.609 175.758 175.510 -0.602 0.000 0.970 169 N CA 0.049 52.843 53.050 -0.428 0.000 0.940 169 N CB 1.252 39.556 38.487 -0.304 0.000 1.128 169 N HN 0.749 nan 8.380 nan 0.000 0.503 170 T N -0.063 114.317 114.554 -0.291 0.000 3.055 170 T HA -0.021 4.329 4.350 -0.000 0.000 0.265 170 T C 0.884 175.492 174.700 -0.154 0.000 1.111 170 T CA 0.647 62.648 62.100 -0.164 0.000 1.118 170 T CB 0.127 69.003 68.868 0.013 0.000 0.909 170 T HN 0.277 nan 8.240 nan 0.000 0.501 171 D N 1.964 122.270 120.400 -0.158 0.000 2.097 171 D HA -0.072 4.568 4.640 -0.000 0.000 0.195 171 D C 2.247 178.457 176.300 -0.150 0.000 0.989 171 D CA 1.711 55.639 54.000 -0.120 0.000 0.827 171 D CB -0.190 40.550 40.800 -0.100 0.000 0.966 171 D HN 0.552 nan 8.370 nan 0.000 0.456 172 V N -2.829 116.949 119.914 -0.227 0.000 3.660 172 V HA 0.151 4.271 4.120 -0.000 0.000 0.276 172 V C 0.332 176.225 176.094 -0.335 0.000 1.317 172 V CA -0.151 62.005 62.300 -0.241 0.000 1.097 172 V CB 0.117 31.804 31.823 -0.228 0.000 0.863 172 V HN -0.008 nan 8.190 nan 0.000 0.438 173 Q N 0.341 119.862 119.800 -0.466 0.000 2.487 173 Q HA -0.192 4.148 4.340 -0.000 0.000 0.279 173 Q C -0.194 175.339 176.000 -0.778 0.000 1.228 173 Q CA 1.195 56.655 55.803 -0.572 0.000 0.873 173 Q CB -1.592 27.075 28.738 -0.119 0.000 1.260 173 Q HN 0.857 nan 8.270 nan 0.000 0.471 174 K N -0.288 119.513 120.400 -0.997 0.000 2.385 174 K HA 0.545 4.865 4.320 -0.000 0.000 0.248 174 K C -0.696 175.612 176.600 -0.488 0.000 0.955 174 K CA -0.767 55.116 56.287 -0.673 0.000 0.816 174 K CB 1.201 33.312 32.500 -0.648 0.000 1.250 174 K HN -0.082 nan 8.250 nan 0.000 0.434 175 Y N 0.249 120.666 120.300 0.195 0.000 2.309 175 Y HA 0.211 4.761 4.550 -0.000 0.000 0.327 175 Y C 1.320 177.327 175.900 0.177 0.000 1.172 175 Y CA 0.009 58.248 58.100 0.232 0.000 1.280 175 Y CB 0.921 39.566 38.460 0.307 0.000 1.234 175 Y HN 0.715 nan 8.280 nan 0.000 0.512 176 G N 1.839 110.787 108.800 0.247 0.000 2.484 176 G HA2 0.092 4.052 3.960 -0.000 0.000 0.235 176 G HA3 0.092 4.052 3.960 -0.000 0.000 0.235 176 G C 0.393 175.397 174.900 0.173 0.000 1.282 176 G CA 0.200 45.398 45.100 0.164 0.000 0.857 176 G HN 0.945 nan 8.290 nan 0.000 0.571 177 N N -1.555 117.224 118.700 0.132 0.000 2.965 177 N HA -0.194 4.546 4.740 -0.000 0.000 0.232 177 N C -0.016 175.549 175.510 0.092 0.000 0.913 177 N CA 1.035 54.144 53.050 0.098 0.000 0.981 177 N CB -1.409 37.124 38.487 0.077 0.000 1.077 177 N HN 0.530 nan 8.380 nan 0.000 0.589 178 I N 1.056 121.703 120.570 0.127 0.000 2.359 178 I HA 0.196 4.366 4.170 -0.000 0.000 0.294 178 I C 0.515 176.671 176.117 0.064 0.000 0.987 178 I CA -0.713 60.604 61.300 0.028 0.000 1.225 178 I CB 1.533 39.464 38.000 -0.115 0.000 1.366 178 I HN 0.091 nan 8.210 nan 0.000 0.466 179 E N 5.971 126.178 120.200 0.011 0.000 2.052 179 E HA 0.161 4.510 4.350 -0.000 0.000 0.283 179 E C -1.531 175.078 176.600 0.016 0.000 1.071 179 E CA -0.144 56.297 56.400 0.068 0.000 0.851 179 E CB 0.248 29.989 29.700 0.069 0.000 1.066 179 E HN 0.227 nan 8.360 nan 0.000 0.396 180 Y N 4.691 125.023 120.300 0.053 0.000 2.425 180 Y HA 0.218 4.768 4.550 -0.000 0.000 0.347 180 Y C 0.184 176.095 175.900 0.019 0.000 0.976 180 Y CA -0.439 57.690 58.100 0.047 0.000 1.190 180 Y CB 0.770 39.257 38.460 0.046 0.000 1.136 180 Y HN 0.393 nan 8.280 nan 0.000 0.517 181 M N 4.859 124.521 119.600 0.104 0.000 2.094 181 M HA 0.324 4.804 4.480 -0.000 0.000 0.348 181 M C -0.023 176.285 176.300 0.014 0.000 1.267 181 M CA -0.139 55.174 55.300 0.022 0.000 1.125 181 M CB 0.465 33.036 32.600 -0.049 0.000 1.527 181 M HN 0.466 nan 8.290 nan 0.000 0.447 182 R N 1.995 122.505 120.500 0.016 0.000 2.473 182 R HA 0.110 4.450 4.340 -0.000 0.000 0.315 182 R C -0.955 175.336 176.300 -0.016 0.000 0.972 182 R CA 0.207 56.316 56.100 0.015 0.000 1.047 182 R CB 0.025 30.332 30.300 0.011 0.000 0.932 182 R HN 0.719 nan 8.270 nan 0.000 0.411 183 C N 3.336 122.641 119.300 0.008 0.000 2.291 183 C HA 0.370 4.830 4.460 -0.000 0.000 0.322 183 C C 0.567 175.588 174.990 0.052 0.000 1.205 183 C CA -0.761 58.278 59.018 0.036 0.000 1.495 183 C CB 0.394 28.168 27.740 0.056 0.000 2.127 183 C HN 0.786 nan 8.230 nan 0.000 0.452 184 T N 0.431 114.876 114.554 -0.182 0.000 2.930 184 T HA 0.505 4.855 4.350 -0.000 0.000 0.290 184 T C -2.279 171.740 174.700 -1.136 0.000 1.052 184 T CA -1.699 60.153 62.100 -0.412 0.000 1.017 184 T CB 1.913 70.657 68.868 -0.206 0.000 1.137 184 T HN 0.117 nan 8.240 nan 0.000 0.511 185 P HA -0.086 nan 4.420 nan 0.000 0.216 185 P C 1.070 178.011 177.300 -0.598 0.000 1.153 185 P CA 1.176 63.552 63.100 -1.208 0.000 0.858 185 P CB 0.039 31.281 31.700 -0.762 0.000 0.789 186 E N -0.329 119.651 120.200 -0.368 0.000 2.153 186 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 186 E C 1.289 177.786 176.600 -0.171 0.000 0.988 186 E CA 1.289 57.569 56.400 -0.199 0.000 0.811 186 E CB -0.952 28.672 29.700 -0.127 0.000 0.746 186 E HN 0.458 nan 8.360 nan 0.000 0.466 187 N N -0.536 118.038 118.700 -0.210 0.000 2.268 187 N HA 0.094 4.834 4.740 -0.000 0.000 0.204 187 N C 0.819 176.282 175.510 -0.078 0.000 1.124 187 N CA 0.566 53.553 53.050 -0.105 0.000 0.838 187 N CB 0.537 38.990 38.487 -0.056 0.000 0.994 187 N HN 0.121 nan 8.380 nan 0.000 0.489 188 G N -0.058 108.625 108.800 -0.194 0.000 2.160 188 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.251 188 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.251 188 G C -0.002 174.943 174.900 0.074 0.000 1.008 188 G CA -0.083 44.972 45.100 -0.075 0.000 0.724 188 G HN 0.323 nan 8.290 nan 0.000 0.514 189 F N -2.916 117.037 119.950 0.004 0.000 3.074 189 F HA -0.140 4.387 4.527 -0.000 0.000 0.287 189 F C 0.456 176.317 175.800 0.102 0.000 0.932 189 F CA 1.365 59.350 58.000 -0.024 0.000 0.995 189 F CB -1.979 36.965 39.000 -0.093 0.000 0.966 189 F HN 0.634 nan 8.300 nan 0.000 0.721 190 F N 2.310 122.309 119.950 0.082 0.000 2.569 190 F HA 0.688 5.215 4.527 -0.000 0.000 0.312 190 F C -2.555 173.272 175.800 0.044 0.000 1.109 190 F CA -2.560 55.503 58.000 0.106 0.000 0.919 190 F CB 1.896 40.961 39.000 0.109 0.000 1.211 190 F HN -0.263 nan 8.300 nan 0.000 0.446 191 P HA 0.066 nan 4.420 nan 0.000 0.274 191 P C -1.084 176.089 177.300 -0.211 0.000 1.237 191 P CA -0.118 62.801 63.100 -0.302 0.000 0.793 191 P CB 0.891 32.371 31.700 -0.367 0.000 0.977 192 D N 1.970 122.308 120.400 -0.104 0.000 2.402 192 D HA 0.057 4.696 4.640 -0.000 0.000 0.235 192 D C 1.253 177.471 176.300 -0.137 0.000 1.226 192 D CA -0.046 53.920 54.000 -0.057 0.000 0.918 192 D CB -0.214 40.570 40.800 -0.026 0.000 1.043 192 D HN 0.210 nan 8.370 nan 0.000 0.506 193 L N 2.631 123.732 121.223 -0.203 0.000 2.353 193 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 193 L C 2.377 179.130 176.870 -0.195 0.000 1.133 193 L CA 0.977 55.562 54.840 -0.426 0.000 0.798 193 L CB -0.445 41.244 42.059 -0.616 0.000 0.922 193 L HN 0.377 nan 8.230 nan 0.000 0.445 194 S N -1.532 114.142 115.700 -0.044 0.000 2.447 194 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 194 S C 1.831 176.453 174.600 0.036 0.000 1.006 194 S CA 1.218 59.441 58.200 0.038 0.000 0.957 194 S CB -0.654 62.567 63.200 0.035 0.000 0.773 194 S HN 0.564 nan 8.310 nan 0.000 0.507 195 T N -0.791 113.760 114.554 -0.004 0.000 3.122 195 T HA 0.378 4.728 4.350 -0.000 0.000 0.250 195 T C 0.197 174.905 174.700 0.013 0.000 1.067 195 T CA -0.383 61.722 62.100 0.008 0.000 0.966 195 T CB -0.207 68.659 68.868 -0.003 0.000 1.002 195 T HN 0.138 nan 8.240 nan 0.000 0.542 196 V N 2.181 122.094 119.914 -0.003 0.000 2.383 196 V HA 0.658 4.778 4.120 -0.000 0.000 0.275 196 V C 1.235 177.450 176.094 0.202 0.000 1.036 196 V CA -0.901 61.417 62.300 0.030 0.000 0.889 196 V CB 0.838 32.565 31.823 -0.160 0.000 0.985 196 V HN 0.574 nan 8.190 nan 0.000 0.459 197 G N 3.959 112.853 108.800 0.156 0.000 2.527 197 G HA2 0.243 4.203 3.960 -0.000 0.000 0.248 197 G HA3 0.243 4.203 3.960 -0.000 0.000 0.248 197 G C 0.074 175.076 174.900 0.170 0.000 1.231 197 G CA -0.439 44.747 45.100 0.143 0.000 0.838 197 G HN 0.614 nan 8.290 nan 0.000 0.570 198 R N 0.160 120.706 120.500 0.076 0.000 2.489 198 R HA 0.237 4.577 4.340 -0.000 0.000 0.287 198 R C 0.252 176.554 176.300 0.003 0.000 1.053 198 R CA 0.436 56.530 56.100 -0.011 0.000 1.036 198 R CB 0.182 30.437 30.300 -0.075 0.000 0.966 198 R HN 0.706 nan 8.270 nan 0.000 0.432 199 T N -0.862 113.684 114.554 -0.013 0.000 2.864 199 T HA 0.260 4.610 4.350 -0.000 0.000 0.289 199 T C 0.573 175.229 174.700 -0.073 0.000 1.082 199 T CA -0.926 61.160 62.100 -0.023 0.000 1.009 199 T CB 1.536 70.406 68.868 0.003 0.000 1.234 199 T HN 0.453 nan 8.240 nan 0.000 0.526 200 D N -0.080 120.266 120.400 -0.091 0.000 2.123 200 D HA 0.064 4.704 4.640 -0.000 0.000 0.200 200 D C 0.589 176.756 176.300 -0.222 0.000 0.976 200 D CA 1.150 55.065 54.000 -0.141 0.000 0.831 200 D CB 0.194 40.906 40.800 -0.147 0.000 0.974 200 D HN 0.368 nan 8.370 nan 0.000 0.469 201 I N 0.951 121.374 120.570 -0.246 0.000 2.646 201 I HA 0.378 4.548 4.170 -0.000 0.000 0.299 201 I C -0.080 175.897 176.117 -0.235 0.000 1.036 201 I CA -0.786 60.286 61.300 -0.381 0.000 1.074 201 I CB 2.183 39.838 38.000 -0.575 0.000 1.258 201 I HN -0.182 nan 8.210 nan 0.000 0.430 202 I N 4.966 125.371 120.570 -0.275 0.000 2.468 202 I HA 0.310 4.479 4.170 -0.000 0.000 0.284 202 I C -1.011 174.974 176.117 -0.221 0.000 1.038 202 I CA -0.411 60.824 61.300 -0.108 0.000 1.083 202 I CB 1.419 39.433 38.000 0.024 0.000 1.223 202 I HN 0.224 nan 8.210 nan 0.000 0.443 203 F N 6.258 126.138 119.950 -0.117 0.000 2.420 203 F HA 0.409 4.936 4.527 -0.000 0.000 0.352 203 F C -0.240 175.439 175.800 -0.201 0.000 1.108 203 F CA -0.291 57.527 58.000 -0.302 0.000 1.162 203 F CB 0.770 39.335 39.000 -0.725 0.000 1.118 203 F HN 0.265 nan 8.300 nan 0.000 0.510 204 F N 4.092 123.945 119.950 -0.161 0.000 2.562 204 F HA 0.475 5.002 4.527 -0.000 0.000 0.319 204 F C -1.003 174.669 175.800 -0.213 0.000 1.154 204 F CA -1.130 56.810 58.000 -0.099 0.000 0.931 204 F CB 0.967 39.986 39.000 0.030 0.000 1.198 204 F HN 0.495 nan 8.300 nan 0.000 0.444 205 C N 4.884 123.893 119.300 -0.485 0.000 2.303 205 C HA 0.840 5.300 4.460 -0.000 0.000 0.326 205 C C -0.623 174.135 174.990 -0.387 0.000 1.285 205 C CA -0.085 58.730 59.018 -0.339 0.000 1.675 205 C CB -0.046 27.650 27.740 -0.074 0.000 2.289 205 C HN 0.804 nan 8.230 nan 0.000 0.512 206 S N 6.543 122.064 115.700 -0.298 0.000 2.649 206 S HA 0.554 5.024 4.470 -0.000 0.000 0.274 206 S C -3.000 171.613 174.600 0.021 0.000 1.176 206 S CA -0.597 57.569 58.200 -0.056 0.000 0.988 206 S CB 1.522 64.869 63.200 0.245 0.000 1.071 206 S HN 0.675 nan 8.310 nan 0.000 0.478 207 P HA 0.096 nan 4.420 nan 0.000 0.267 207 P C -0.428 176.845 177.300 -0.044 0.000 1.205 207 P CA -0.157 62.967 63.100 0.039 0.000 0.765 207 P CB 0.296 32.042 31.700 0.076 0.000 0.828 208 N N 3.570 122.170 118.700 -0.167 0.000 2.492 208 N HA -0.031 4.708 4.740 -0.000 0.000 0.260 208 N C -0.403 174.899 175.510 -0.348 0.000 1.215 208 N CA 0.113 52.999 53.050 -0.273 0.000 0.923 208 N CB 0.220 38.476 38.487 -0.385 0.000 1.092 208 N HN 0.274 nan 8.380 nan 0.000 0.448 209 N N 3.667 122.174 118.700 -0.322 0.000 2.437 209 N HA 0.309 5.049 4.740 -0.000 0.000 0.259 209 N C -2.117 173.014 175.510 -0.632 0.000 0.983 209 N CA -2.125 50.608 53.050 -0.528 0.000 0.937 209 N CB 1.531 39.853 38.487 -0.276 0.000 1.122 209 N HN 0.407 nan 8.380 nan 0.000 0.499 210 P HA 0.111 nan 4.420 nan 0.000 0.264 210 P C 0.762 177.226 177.300 -1.392 0.000 1.259 210 P CA 0.374 62.566 63.100 -1.513 0.000 0.841 210 P CB 0.225 30.567 31.700 -2.264 0.000 1.232 211 T N -4.601 109.118 114.554 -1.393 0.000 3.067 211 T HA 0.204 4.554 4.350 -0.000 0.000 0.261 211 T C 1.709 175.922 174.700 -0.811 0.000 1.110 211 T CA 1.061 62.257 62.100 -1.508 0.000 1.113 211 T CB -1.210 66.662 68.868 -1.661 0.000 0.917 211 T HN 0.180 nan 8.240 nan 0.000 0.499 212 G N 1.429 109.888 108.800 -0.569 0.000 2.184 212 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.264 212 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.264 212 G C 0.296 175.045 174.900 -0.251 0.000 0.975 212 G CA 0.050 44.957 45.100 -0.322 0.000 0.642 212 G HN 1.283 nan 8.290 nan 0.000 0.536 213 A N 0.067 122.685 122.820 -0.337 0.000 2.454 213 A HA 0.776 5.096 4.320 -0.000 0.000 0.260 213 A C 0.705 178.272 177.584 -0.029 0.000 1.106 213 A CA 0.976 52.921 52.037 -0.153 0.000 0.780 213 A CB 0.596 19.509 19.000 -0.145 0.000 1.044 213 A HN 2.035 nan 8.150 nan 0.000 0.498 214 A N 2.700 125.552 122.820 0.054 0.000 2.260 214 A HA 0.665 4.985 4.320 -0.000 0.000 0.314 214 A C 0.607 178.286 177.584 0.159 0.000 1.257 214 A CA 0.079 52.186 52.037 0.116 0.000 0.871 214 A CB 0.248 19.315 19.000 0.112 0.000 1.166 214 A HN 2.004 nan 8.150 nan 0.000 0.522 215 A N 2.768 125.737 122.820 0.248 0.000 2.462 215 A HA 0.531 4.851 4.320 -0.000 0.000 0.243 215 A C 1.064 178.701 177.584 0.088 0.000 1.076 215 A CA 0.493 52.657 52.037 0.212 0.000 0.773 215 A CB -0.326 18.910 19.000 0.393 0.000 1.010 215 A HN 1.474 nan 8.150 nan 0.000 0.493 216 T N -0.197 114.339 114.554 -0.031 0.000 2.754 216 T HA 0.249 4.599 4.350 -0.000 0.000 0.286 216 T C 1.269 175.936 174.700 -0.056 0.000 0.997 216 T CA 0.096 62.174 62.100 -0.036 0.000 0.982 216 T CB 0.568 69.395 68.868 -0.069 0.000 1.027 216 T HN 0.721 nan 8.240 nan 0.000 0.529 217 R N 0.204 120.682 120.500 -0.037 0.000 2.105 217 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 217 R C 2.007 178.260 176.300 -0.077 0.000 1.135 217 R CA 1.794 57.868 56.100 -0.043 0.000 0.967 217 R CB -0.361 29.927 30.300 -0.021 0.000 0.861 217 R HN 0.765 nan 8.270 nan 0.000 0.442 218 E N 0.581 120.725 120.200 -0.094 0.000 2.051 218 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 218 E C 2.087 178.576 176.600 -0.186 0.000 0.991 218 E CA 1.576 57.909 56.400 -0.112 0.000 0.799 218 E CB -0.132 29.509 29.700 -0.100 0.000 0.748 218 E HN 0.473 nan 8.360 nan 0.000 0.449 219 Q N -0.046 119.558 119.800 -0.327 0.000 2.079 219 Q HA -0.032 4.308 4.340 -0.000 0.000 0.200 219 Q C 2.252 178.049 176.000 -0.339 0.000 0.974 219 Q CA 0.897 56.302 55.803 -0.662 0.000 0.840 219 Q CB -0.114 27.826 28.738 -1.330 0.000 0.898 219 Q HN 0.265 nan 8.270 nan 0.000 0.430 220 L N 0.042 121.147 121.223 -0.197 0.000 2.093 220 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 220 L C 2.313 179.124 176.870 -0.099 0.000 1.085 220 L CA 1.112 55.877 54.840 -0.124 0.000 0.755 220 L CB -0.635 41.364 42.059 -0.100 0.000 0.904 220 L HN 0.286 nan 8.230 nan 0.000 0.435 221 T N -0.898 113.606 114.554 -0.083 0.000 2.708 221 T HA -0.244 4.105 4.350 -0.000 0.000 0.266 221 T C 1.891 176.581 174.700 -0.017 0.000 1.037 221 T CA 1.306 63.377 62.100 -0.049 0.000 1.146 221 T CB -0.181 68.662 68.868 -0.042 0.000 0.865 221 T HN 0.361 nan 8.240 nan 0.000 0.435 222 Q N 0.071 119.863 119.800 -0.012 0.000 2.077 222 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 222 Q C 2.365 178.429 176.000 0.107 0.000 0.989 222 Q CA 1.295 57.130 55.803 0.055 0.000 0.853 222 Q CB -0.412 28.369 28.738 0.071 0.000 0.907 222 Q HN 0.309 nan 8.270 nan 0.000 0.418 223 L N 0.193 121.467 121.223 0.084 0.000 1.990 223 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 223 L C 2.182 179.086 176.870 0.057 0.000 1.072 223 L CA 1.622 56.480 54.840 0.031 0.000 0.755 223 L CB -0.664 41.289 42.059 -0.177 0.000 0.889 223 L HN 0.020 nan 8.230 nan 0.000 0.432 224 V N -0.400 119.509 119.914 -0.009 0.000 2.332 224 V HA -0.307 3.812 4.120 -0.000 0.000 0.248 224 V C 2.516 178.623 176.094 0.023 0.000 1.055 224 V CA 2.092 64.385 62.300 -0.013 0.000 1.038 224 V CB -0.691 31.105 31.823 -0.046 0.000 0.651 224 V HN 0.513 nan 8.190 nan 0.000 0.450 225 E N -0.728 119.501 120.200 0.048 0.000 2.072 225 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 225 E C 2.003 178.650 176.600 0.079 0.000 0.985 225 E CA 1.469 57.900 56.400 0.051 0.000 0.801 225 E CB -0.226 29.508 29.700 0.056 0.000 0.750 225 E HN 0.626 nan 8.360 nan 0.000 0.452 226 F N 1.496 121.433 119.950 -0.023 0.000 2.069 226 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 226 F C 2.195 177.973 175.800 -0.037 0.000 1.113 226 F CA 1.614 59.600 58.000 -0.023 0.000 1.214 226 F CB -0.423 38.566 39.000 -0.018 0.000 0.978 226 F HN -0.039 nan 8.300 nan 0.000 0.474 227 A N 0.253 123.067 122.820 -0.010 0.000 1.908 227 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 227 A C 2.338 179.834 177.584 -0.147 0.000 1.181 227 A CA 2.043 54.007 52.037 -0.122 0.000 0.627 227 A CB -0.958 18.020 19.000 -0.036 0.000 0.818 227 A HN 0.506 nan 8.150 nan 0.000 0.445 228 K N 0.412 120.760 120.400 -0.087 0.000 2.057 228 K HA -0.219 4.100 4.320 -0.000 0.000 0.207 228 K C 2.102 178.643 176.600 -0.098 0.000 1.049 228 K CA 1.866 58.108 56.287 -0.075 0.000 0.931 228 K CB -0.194 32.282 32.500 -0.041 0.000 0.714 228 K HN 0.627 nan 8.250 nan 0.000 0.440 229 K N -0.528 119.800 120.400 -0.120 0.000 2.155 229 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 229 K C 1.486 177.979 176.600 -0.177 0.000 1.052 229 K CA 1.516 57.729 56.287 -0.124 0.000 0.948 229 K CB -0.053 32.390 32.500 -0.095 0.000 0.728 229 K HN -0.009 nan 8.250 nan 0.000 0.448 230 N N 0.638 119.164 118.700 -0.290 0.000 2.446 230 N HA 0.034 4.774 4.740 -0.000 0.000 0.179 230 N C 0.483 175.874 175.510 -0.198 0.000 1.054 230 N CA 1.120 53.984 53.050 -0.310 0.000 0.905 230 N CB 0.495 38.642 38.487 -0.567 0.000 0.973 230 N HN 0.543 nan 8.380 nan 0.000 0.448 231 G N 0.078 108.784 108.800 -0.157 0.000 2.246 231 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.273 231 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.273 231 G C -0.282 174.553 174.900 -0.108 0.000 1.055 231 G CA 0.414 45.452 45.100 -0.102 0.000 0.851 231 G HN 0.296 nan 8.290 nan 0.000 0.500 232 S N -0.888 114.727 115.700 -0.140 0.000 2.651 232 S HA 0.749 5.219 4.470 -0.000 0.000 0.291 232 S C 0.507 175.028 174.600 -0.132 0.000 1.141 232 S CA -0.595 57.519 58.200 -0.144 0.000 1.027 232 S CB 1.599 64.704 63.200 -0.157 0.000 1.043 232 S HN 0.381 nan 8.310 nan 0.000 0.530 233 I N 2.111 122.576 120.570 -0.175 0.000 2.336 233 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 233 I C -0.675 175.319 176.117 -0.205 0.000 0.991 233 I CA -0.430 60.763 61.300 -0.177 0.000 1.227 233 I CB 0.964 38.831 38.000 -0.220 0.000 1.366 233 I HN 0.423 nan 8.210 nan 0.000 0.466 234 I N 6.716 127.203 120.570 -0.139 0.000 2.342 234 I HA 0.205 4.375 4.170 -0.000 0.000 0.291 234 I C -0.264 175.769 176.117 -0.140 0.000 1.010 234 I CA -0.594 60.629 61.300 -0.129 0.000 1.308 234 I CB 1.396 39.359 38.000 -0.062 0.000 1.400 234 I HN 0.200 nan 8.210 nan 0.000 0.488 235 V N 7.410 127.176 119.914 -0.247 0.000 2.318 235 V HA 0.170 4.289 4.120 -0.000 0.000 0.271 235 V C -0.638 175.437 176.094 -0.032 0.000 1.030 235 V CA -0.590 61.596 62.300 -0.191 0.000 0.844 235 V CB 0.623 32.184 31.823 -0.436 0.000 1.015 235 V HN 0.446 nan 8.190 nan 0.000 0.460 236 Y N 3.925 124.164 120.300 -0.101 0.000 2.328 236 Y HA 0.527 5.077 4.550 -0.000 0.000 0.337 236 Y C -0.071 175.817 175.900 -0.020 0.000 1.008 236 Y CA -0.737 57.344 58.100 -0.033 0.000 1.129 236 Y CB 1.336 39.738 38.460 -0.097 0.000 1.185 236 Y HN 0.642 nan 8.280 nan 0.000 0.476 237 D N 3.267 123.477 120.400 -0.317 0.000 2.349 237 D HA 0.170 4.810 4.640 -0.000 0.000 0.232 237 D C -0.230 175.865 176.300 -0.342 0.000 1.071 237 D CA -0.200 53.674 54.000 -0.210 0.000 0.832 237 D CB 1.221 42.008 40.800 -0.021 0.000 1.086 237 D HN 0.568 nan 8.370 nan 0.000 0.504 238 S N 2.128 117.702 115.700 -0.211 0.000 2.601 238 S HA 0.299 4.769 4.470 -0.000 0.000 0.244 238 S C 1.707 176.219 174.600 -0.147 0.000 1.001 238 S CA 0.093 58.238 58.200 -0.093 0.000 0.984 238 S CB 0.557 63.858 63.200 0.168 0.000 0.842 238 S HN 0.396 nan 8.310 nan 0.000 0.474 239 A N 1.304 123.916 122.820 -0.347 0.000 1.971 239 A HA -0.141 4.179 4.320 -0.000 0.000 0.222 239 A C 1.347 178.536 177.584 -0.658 0.000 1.182 239 A CA 1.596 53.240 52.037 -0.656 0.000 0.649 239 A CB -0.910 17.578 19.000 -0.854 0.000 0.818 239 A HN 0.734 nan 8.150 nan 0.000 0.458 240 Y N -1.578 118.740 120.300 0.030 0.000 2.584 240 Y HA 0.497 5.047 4.550 -0.000 0.000 0.254 240 Y C 2.174 178.306 175.900 0.386 0.000 1.177 240 Y CA -0.322 57.907 58.100 0.216 0.000 1.216 240 Y CB -0.400 38.052 38.460 -0.013 0.000 1.172 240 Y HN 0.280 nan 8.280 nan 0.000 0.529 241 A N 0.350 123.417 122.820 0.412 0.000 1.978 241 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 241 A C 1.979 179.751 177.584 0.314 0.000 1.170 241 A CA 1.548 53.793 52.037 0.347 0.000 0.636 241 A CB -0.336 18.853 19.000 0.315 0.000 0.810 241 A HN 0.265 nan 8.150 nan 0.000 0.448 242 M N -1.482 118.299 119.600 0.302 0.000 2.659 242 M HA 0.066 4.545 4.480 -0.000 0.000 0.243 242 M C 0.749 177.035 176.300 -0.022 0.000 1.111 242 M CA 0.469 55.765 55.300 -0.007 0.000 1.070 242 M CB -1.208 31.082 32.600 -0.517 0.000 1.525 242 M HN 0.551 nan 8.290 nan 0.000 0.517 243 Y N -0.848 119.555 120.300 0.171 0.000 2.490 243 Y HA 0.147 4.697 4.550 -0.000 0.000 0.281 243 Y C 1.008 176.959 175.900 0.084 0.000 1.174 243 Y CA -0.513 57.662 58.100 0.125 0.000 1.295 243 Y CB -0.313 38.234 38.460 0.146 0.000 1.062 243 Y HN 0.089 nan 8.280 nan 0.000 0.522 244 M N -0.087 119.638 119.600 0.210 0.000 2.286 244 M HA -0.111 4.369 4.480 -0.000 0.000 0.365 244 M C 1.100 177.461 176.300 0.102 0.000 1.443 244 M CA 0.689 56.078 55.300 0.148 0.000 0.951 244 M CB 0.502 33.184 32.600 0.137 0.000 1.961 244 M HN 0.026 nan 8.290 nan 0.000 0.468 245 S N 1.608 117.361 115.700 0.089 0.000 2.566 245 S HA 0.148 4.617 4.470 -0.000 0.000 0.234 245 S C 0.029 174.666 174.600 0.061 0.000 1.075 245 S CA -0.230 58.010 58.200 0.066 0.000 0.926 245 S CB 0.223 63.458 63.200 0.057 0.000 0.811 245 S HN 0.735 nan 8.310 nan 0.000 0.518 246 D N 2.187 122.625 120.400 0.064 0.000 2.361 246 D HA 0.098 4.738 4.640 -0.000 0.000 0.239 246 D C -0.282 176.052 176.300 0.057 0.000 1.200 246 D CA 0.126 54.160 54.000 0.057 0.000 0.915 246 D CB 0.329 41.164 40.800 0.058 0.000 1.170 246 D HN 0.083 nan 8.370 nan 0.000 0.444 247 D N 0.427 120.855 120.400 0.047 0.000 2.608 247 D HA 0.068 4.708 4.640 -0.000 0.000 0.224 247 D C -0.928 175.399 176.300 0.046 0.000 1.123 247 D CA -0.138 53.888 54.000 0.043 0.000 1.030 247 D CB -0.825 39.994 40.800 0.031 0.000 1.093 247 D HN 0.202 nan 8.370 nan 0.000 0.497 248 N N 1.740 120.477 118.700 0.062 0.000 2.292 248 N HA 0.464 5.204 4.740 -0.000 0.000 0.303 248 N C -2.604 172.959 175.510 0.087 0.000 1.140 248 N CA -1.936 51.157 53.050 0.071 0.000 0.788 248 N CB 1.682 40.224 38.487 0.091 0.000 1.361 248 N HN 0.071 nan 8.380 nan 0.000 0.489 249 P HA 0.098 nan 4.420 nan 0.000 0.265 249 P C -0.261 177.134 177.300 0.158 0.000 1.193 249 P CA 0.137 63.294 63.100 0.094 0.000 0.765 249 P CB 0.782 32.512 31.700 0.050 0.000 0.823 250 R N 0.308 120.909 120.500 0.168 0.000 2.290 250 R HA 0.223 4.563 4.340 -0.000 0.000 0.197 250 R C 0.502 176.976 176.300 0.290 0.000 0.913 250 R CA 0.293 56.531 56.100 0.230 0.000 1.040 250 R CB 0.422 30.840 30.300 0.197 0.000 0.992 250 R HN 0.392 nan 8.270 nan 0.000 0.500 251 S N -0.412 115.411 115.700 0.204 0.000 2.540 251 S HA 0.204 4.674 4.470 -0.000 0.000 0.275 251 S C 0.340 174.816 174.600 -0.205 0.000 1.123 251 S CA -0.720 57.568 58.200 0.148 0.000 0.907 251 S CB 1.486 64.901 63.200 0.359 0.000 1.081 251 S HN 0.092 nan 8.310 nan 0.000 0.476 252 I N 3.843 123.954 120.570 -0.766 0.000 2.530 252 I HA 0.031 4.201 4.170 -0.000 0.000 0.257 252 I C 0.870 176.685 176.117 -0.505 0.000 1.179 252 I CA 1.616 62.352 61.300 -0.940 0.000 1.440 252 I CB -0.323 36.864 38.000 -1.355 0.000 1.087 252 I HN 0.726 nan 8.210 nan 0.000 0.440 253 F N 0.585 120.488 119.950 -0.079 0.000 2.661 253 F HA 0.036 4.563 4.527 -0.000 0.000 0.298 253 F C 2.204 178.008 175.800 0.007 0.000 1.137 253 F CA 0.445 58.432 58.000 -0.022 0.000 1.454 253 F CB -0.937 38.078 39.000 0.025 0.000 1.103 253 F HN 0.165 nan 8.300 nan 0.000 0.577 254 E N 0.253 120.530 120.200 0.128 0.000 2.333 254 E HA -0.125 4.224 4.350 -0.000 0.000 0.198 254 E C 0.381 177.001 176.600 0.032 0.000 1.007 254 E CA 0.511 56.960 56.400 0.081 0.000 0.845 254 E CB 0.047 29.782 29.700 0.058 0.000 0.766 254 E HN 0.185 nan 8.360 nan 0.000 0.507 255 I N 2.509 123.075 120.570 -0.007 0.000 2.312 255 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 255 I C -2.289 173.835 176.117 0.011 0.000 1.031 255 I CA -3.121 58.167 61.300 -0.020 0.000 1.293 255 I CB 0.189 38.146 38.000 -0.072 0.000 1.403 255 I HN -0.311 nan 8.210 nan 0.000 0.484 256 P HA 0.148 nan 4.420 nan 0.000 0.265 256 P C 0.962 178.270 177.300 0.013 0.000 1.193 256 P CA 0.623 63.734 63.100 0.020 0.000 0.765 256 P CB 0.638 32.345 31.700 0.011 0.000 0.823 257 G N 2.652 111.463 108.800 0.020 0.000 2.205 257 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.261 257 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.261 257 G C 1.239 176.152 174.900 0.022 0.000 0.980 257 G CA 0.508 45.617 45.100 0.013 0.000 0.632 257 G HN 0.676 nan 8.290 nan 0.000 0.533 258 A N 0.979 123.822 122.820 0.038 0.000 1.978 258 A HA 0.004 4.324 4.320 -0.000 0.000 0.220 258 A C 2.129 179.796 177.584 0.137 0.000 1.170 258 A CA 2.297 54.362 52.037 0.047 0.000 0.636 258 A CB -0.360 18.648 19.000 0.012 0.000 0.810 258 A HN 1.039 nan 8.150 nan 0.000 0.448 259 E N 0.546 120.838 120.200 0.153 0.000 2.418 259 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 259 E C 1.042 177.663 176.600 0.034 0.000 1.026 259 E CA 1.285 57.747 56.400 0.104 0.000 0.862 259 E CB -0.372 29.324 29.700 -0.006 0.000 0.799 259 E HN 0.780 nan 8.360 nan 0.000 0.518 260 E N 0.482 120.694 120.200 0.021 0.000 2.442 260 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 260 E C 1.535 178.126 176.600 -0.015 0.000 1.030 260 E CA 0.852 57.248 56.400 -0.006 0.000 0.869 260 E CB 0.756 30.449 29.700 -0.012 0.000 0.857 260 E HN 0.307 nan 8.360 nan 0.000 0.505 261 V N -3.954 115.958 119.914 -0.005 0.000 3.392 261 V HA 0.589 4.709 4.120 -0.000 0.000 0.294 261 V C 0.081 176.157 176.094 -0.029 0.000 1.561 261 V CA -0.223 62.058 62.300 -0.031 0.000 1.056 261 V CB 0.588 32.385 31.823 -0.045 0.000 0.882 261 V HN 0.040 nan 8.190 nan 0.000 0.440 262 A N 2.040 124.872 122.820 0.020 0.000 2.515 262 A HA 0.973 5.293 4.320 -0.000 0.000 0.298 262 A C -0.716 176.944 177.584 0.127 0.000 1.059 262 A CA -0.527 51.515 52.037 0.008 0.000 0.698 262 A CB 2.083 21.024 19.000 -0.098 0.000 1.289 262 A HN 0.797 nan 8.150 nan 0.000 0.404 263 M N 0.309 119.944 119.600 0.057 0.000 2.727 263 M HA 0.890 5.370 4.480 -0.000 0.000 0.300 263 M C -0.714 175.612 176.300 0.044 0.000 1.246 263 M CA -0.493 54.890 55.300 0.139 0.000 0.835 263 M CB 2.105 34.716 32.600 0.018 0.000 1.755 263 M HN 0.696 nan 8.290 nan 0.000 0.473 264 E N 0.392 120.660 120.200 0.113 0.000 2.314 264 E HA 0.519 4.869 4.350 -0.000 0.000 0.272 264 E C -1.851 174.781 176.600 0.053 0.000 0.884 264 E CA -0.549 55.900 56.400 0.082 0.000 0.753 264 E CB 2.649 32.389 29.700 0.065 0.000 1.213 264 E HN 0.822 nan 8.360 nan 0.000 0.432 265 T N 1.798 116.334 114.554 -0.030 0.000 2.876 265 T HA 0.857 5.207 4.350 -0.000 0.000 0.289 265 T C -1.324 173.151 174.700 -0.375 0.000 1.014 265 T CA 0.075 62.066 62.100 -0.182 0.000 0.986 265 T CB 1.319 70.120 68.868 -0.111 0.000 1.021 265 T HN 0.645 nan 8.240 nan 0.000 0.458 266 A N 2.459 124.809 122.820 -0.782 0.000 2.515 266 A HA 0.962 5.282 4.320 -0.000 0.000 0.299 266 A C -0.641 176.165 177.584 -1.297 0.000 1.179 266 A CA -0.199 51.203 52.037 -1.059 0.000 0.656 266 A CB 1.152 19.429 19.000 -1.205 0.000 1.306 266 A HN 1.658 nan 8.150 nan 0.000 0.459 267 S N -1.811 113.144 115.700 -1.242 0.000 2.615 267 S HA 0.616 5.086 4.470 -0.000 0.000 0.268 267 S C -0.792 173.415 174.600 -0.655 0.000 1.146 267 S CA -0.333 57.419 58.200 -0.748 0.000 0.818 267 S CB 0.099 63.080 63.200 -0.366 0.000 1.111 267 S HN 0.937 nan 8.310 nan 0.000 0.465 268 F N 1.616 121.512 119.950 -0.089 0.000 2.797 268 F HA 0.236 4.762 4.527 -0.000 0.000 0.302 268 F C 2.523 178.271 175.800 -0.086 0.000 1.130 268 F CA 0.402 58.357 58.000 -0.074 0.000 1.387 268 F CB -0.086 38.781 39.000 -0.222 0.000 1.107 268 F HN 0.587 nan 8.300 nan 0.000 0.577 269 S N 0.210 115.931 115.700 0.035 0.000 2.359 269 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 269 S C 1.986 176.588 174.600 0.003 0.000 1.039 269 S CA 1.396 59.626 58.200 0.050 0.000 1.042 269 S CB -0.133 63.020 63.200 -0.078 0.000 0.915 269 S HN 0.230 nan 8.310 nan 0.000 0.439 270 K N -0.126 120.192 120.400 -0.136 0.000 2.426 270 K HA 0.169 4.489 4.320 -0.000 0.000 0.193 270 K C 0.964 177.837 176.600 0.456 0.000 1.028 270 K CA 0.419 56.754 56.287 0.080 0.000 1.047 270 K CB -0.052 32.460 32.500 0.019 0.000 0.821 270 K HN 0.447 nan 8.250 nan 0.000 0.513 271 Y N -0.088 120.349 120.300 0.229 0.000 2.396 271 Y HA 0.242 4.792 4.550 -0.000 0.000 0.292 271 Y C 1.818 177.847 175.900 0.215 0.000 1.128 271 Y CA -0.087 58.145 58.100 0.220 0.000 1.194 271 Y CB -0.241 38.331 38.460 0.186 0.000 1.124 271 Y HN -0.058 nan 8.280 nan 0.000 0.543 272 A N -0.908 122.113 122.820 0.335 0.000 2.538 272 A HA 0.538 4.858 4.320 -0.000 0.000 0.269 272 A C 1.541 179.323 177.584 0.329 0.000 1.231 272 A CA 0.330 52.494 52.037 0.212 0.000 0.948 272 A CB -0.672 18.269 19.000 -0.099 0.000 1.110 272 A HN 0.490 nan 8.150 nan 0.000 0.529 273 G N -0.996 108.009 108.800 0.342 0.000 2.221 273 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.265 273 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.265 273 G C 0.131 175.267 174.900 0.393 0.000 1.041 273 G CA 0.364 45.651 45.100 0.311 0.000 0.807 273 G HN 0.358 nan 8.290 nan 0.000 0.502 274 F N 1.429 121.444 119.950 0.109 0.000 2.693 274 F HA 0.130 4.657 4.527 -0.000 0.000 0.303 274 F C 2.630 178.455 175.800 0.041 0.000 1.143 274 F CA 0.732 58.787 58.000 0.091 0.000 1.389 274 F CB -0.488 38.607 39.000 0.159 0.000 1.060 274 F HN 0.351 nan 8.300 nan 0.000 0.535 275 T N -3.204 111.435 114.554 0.141 0.000 2.699 275 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 275 T C 2.383 177.095 174.700 0.020 0.000 1.036 275 T CA 1.582 63.700 62.100 0.031 0.000 1.147 275 T CB -0.774 68.065 68.868 -0.049 0.000 0.862 275 T HN 0.324 nan 8.240 nan 0.000 0.446 276 G N 0.173 108.977 108.800 0.007 0.000 2.539 276 G HA2 0.130 4.090 3.960 -0.000 0.000 0.215 276 G HA3 0.130 4.090 3.960 -0.000 0.000 0.215 276 G C 1.594 176.452 174.900 -0.070 0.000 1.141 276 G CA 0.480 45.567 45.100 -0.022 0.000 0.806 276 G HN 0.480 nan 8.290 nan 0.000 0.533 277 V N 0.225 120.043 119.914 -0.160 0.000 2.379 277 V HA 0.061 4.181 4.120 -0.000 0.000 0.245 277 V C 0.876 176.870 176.094 -0.166 0.000 1.044 277 V CA 0.747 62.842 62.300 -0.341 0.000 1.036 277 V CB -0.566 30.649 31.823 -1.014 0.000 0.664 277 V HN 0.468 nan 8.190 nan 0.000 0.453 278 R N 0.083 120.583 120.500 0.000 0.000 2.011 278 R HA -0.058 4.281 4.340 -0.000 0.000 0.379 278 R C -1.186 175.256 176.300 0.236 0.000 1.107 278 R CA 0.199 56.371 56.100 0.121 0.000 0.754 278 R CB -1.751 28.598 30.300 0.081 0.000 2.460 278 R HN 0.306 nan 8.270 nan 0.000 0.482 279 L N 0.767 122.225 121.223 0.391 0.000 2.676 279 L HA 0.732 5.072 4.340 -0.000 0.000 0.262 279 L C 0.194 177.379 176.870 0.524 0.000 0.932 279 L CA 0.529 55.661 54.840 0.487 0.000 0.932 279 L CB 2.009 44.433 42.059 0.609 0.000 1.355 279 L HN 0.734 nan 8.230 nan 0.000 0.421 280 G N 3.069 112.112 108.800 0.406 0.000 2.976 280 G HA2 0.764 4.723 3.960 -0.000 0.000 0.276 280 G HA3 0.764 4.723 3.960 -0.000 0.000 0.276 280 G C -2.159 173.018 174.900 0.462 0.000 1.207 280 G CA -0.036 45.233 45.100 0.281 0.000 0.803 280 G HN 0.735 nan 8.290 nan 0.000 0.572 281 W N -1.701 119.671 121.300 0.121 0.000 3.298 281 W HA 0.711 5.370 4.660 -0.000 0.000 0.302 281 W C -1.367 175.239 176.519 0.145 0.000 1.255 281 W CA -1.012 56.441 57.345 0.181 0.000 1.196 281 W CB 0.768 30.352 29.460 0.207 0.000 1.364 281 W HN 0.570 nan 8.180 nan 0.000 0.566 282 T N 2.096 116.869 114.554 0.365 0.000 2.863 282 T HA 0.622 4.971 4.350 -0.000 0.000 0.285 282 T C -1.305 173.642 174.700 0.412 0.000 1.009 282 T CA -0.633 61.589 62.100 0.203 0.000 0.989 282 T CB 1.857 70.695 68.868 -0.050 0.000 1.004 282 T HN 0.429 nan 8.240 nan 0.000 0.455 283 V N 4.396 124.491 119.914 0.301 0.000 2.409 283 V HA 0.545 4.665 4.120 -0.000 0.000 0.291 283 V C -0.483 175.712 176.094 0.168 0.000 1.020 283 V CA -0.692 61.751 62.300 0.239 0.000 0.848 283 V CB 1.214 33.074 31.823 0.062 0.000 0.990 283 V HN 0.754 nan 8.190 nan 0.000 0.430 284 I N 7.345 128.014 120.570 0.165 0.000 2.447 284 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 284 I C -2.571 173.556 176.117 0.017 0.000 1.023 284 I CA -1.970 59.372 61.300 0.070 0.000 1.083 284 I CB 2.653 40.653 38.000 -0.000 0.000 1.245 284 I HN 0.437 nan 8.210 nan 0.000 0.434 285 P HA 0.301 nan 4.420 nan 0.000 0.279 285 P C -0.002 177.249 177.300 -0.082 0.000 1.252 285 P CA -0.650 62.357 63.100 -0.155 0.000 0.811 285 P CB 1.041 32.594 31.700 -0.245 0.000 1.035 286 K N 0.586 120.935 120.400 -0.086 0.000 2.209 286 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 286 K C 1.282 177.840 176.600 -0.070 0.000 1.048 286 K CA 1.403 57.650 56.287 -0.067 0.000 0.940 286 K CB -0.140 32.321 32.500 -0.065 0.000 0.729 286 K HN 0.400 nan 8.250 nan 0.000 0.451 287 K N 0.584 120.943 120.400 -0.068 0.000 2.444 287 K HA 0.028 4.348 4.320 -0.000 0.000 0.193 287 K C -0.127 176.441 176.600 -0.054 0.000 1.024 287 K CA -0.147 56.107 56.287 -0.055 0.000 1.077 287 K CB 0.198 32.670 32.500 -0.046 0.000 0.833 287 K HN -0.036 nan 8.250 nan 0.000 0.517 288 L N 2.382 123.567 121.223 -0.064 0.000 2.407 288 L HA 0.188 4.528 4.340 -0.000 0.000 0.282 288 L C -0.901 175.894 176.870 -0.126 0.000 1.110 288 L CA 0.383 55.174 54.840 -0.081 0.000 0.863 288 L CB -0.080 41.934 42.059 -0.074 0.000 1.207 288 L HN -0.026 nan 8.230 nan 0.000 0.454 289 L N 4.808 125.967 121.223 -0.106 0.000 2.370 289 L HA 0.467 4.806 4.340 -0.000 0.000 0.266 289 L C -0.604 176.234 176.870 -0.054 0.000 1.002 289 L CA -1.064 53.725 54.840 -0.084 0.000 0.818 289 L CB 1.423 43.476 42.059 -0.009 0.000 1.325 289 L HN 0.305 nan 8.230 nan 0.000 0.418 290 Y N 0.052 120.417 120.300 0.109 0.000 2.258 290 Y HA -0.042 4.508 4.550 -0.000 0.000 0.345 290 Y C 1.836 177.781 175.900 0.074 0.000 1.303 290 Y CA 0.275 58.438 58.100 0.104 0.000 1.537 290 Y CB 0.668 39.221 38.460 0.156 0.000 1.383 290 Y HN 0.717 nan 8.280 nan 0.000 0.606 291 S N -0.748 115.107 115.700 0.259 0.000 2.469 291 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 291 S C 0.800 175.469 174.600 0.115 0.000 0.998 291 S CA 1.248 59.526 58.200 0.131 0.000 0.957 291 S CB -0.484 62.764 63.200 0.080 0.000 0.764 291 S HN 0.773 nan 8.310 nan 0.000 0.514 292 D N -0.153 120.340 120.400 0.154 0.000 2.342 292 D HA 0.287 4.927 4.640 -0.000 0.000 0.221 292 D C 1.350 177.747 176.300 0.162 0.000 1.101 292 D CA 0.400 54.477 54.000 0.127 0.000 0.837 292 D CB -0.498 40.363 40.800 0.102 0.000 0.938 292 D HN 0.523 nan 8.370 nan 0.000 0.508 293 G N 0.058 108.961 108.800 0.173 0.000 2.179 293 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 293 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 293 G C -0.083 174.927 174.900 0.184 0.000 0.977 293 G CA 0.041 45.227 45.100 0.143 0.000 0.641 293 G HN 0.409 nan 8.290 nan 0.000 0.533 294 F N 3.947 123.986 119.950 0.148 0.000 2.456 294 F HA 0.528 5.055 4.527 -0.000 0.000 0.358 294 F C -1.487 174.394 175.800 0.136 0.000 1.095 294 F CA -2.137 55.964 58.000 0.168 0.000 1.216 294 F CB 1.061 40.202 39.000 0.235 0.000 1.125 294 F HN -0.031 nan 8.300 nan 0.000 0.549 295 P HA 0.022 nan 4.420 nan 0.000 0.276 295 P C 0.669 177.856 177.300 -0.188 0.000 1.235 295 P CA 0.029 62.956 63.100 -0.288 0.000 0.772 295 P CB 1.456 32.975 31.700 -0.302 0.000 0.871 296 V N 3.693 123.483 119.914 -0.208 0.000 2.407 296 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 296 V C 2.561 178.650 176.094 -0.009 0.000 1.055 296 V CA 2.721 64.889 62.300 -0.221 0.000 1.049 296 V CB -1.547 30.043 31.823 -0.388 0.000 0.662 296 V HN 0.633 nan 8.190 nan 0.000 0.455 297 A N -0.680 122.135 122.820 -0.008 0.000 2.019 297 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 297 A C 2.304 180.004 177.584 0.193 0.000 1.164 297 A CA 1.654 53.761 52.037 0.116 0.000 0.644 297 A CB -0.378 18.753 19.000 0.217 0.000 0.805 297 A HN 0.538 nan 8.150 nan 0.000 0.449 298 K N -0.620 119.838 120.400 0.096 0.000 2.155 298 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 298 K C 1.181 177.964 176.600 0.306 0.000 1.052 298 K CA 1.219 57.591 56.287 0.142 0.000 0.948 298 K CB -0.120 32.323 32.500 -0.095 0.000 0.728 298 K HN 0.335 nan 8.250 nan 0.000 0.448 299 D N 0.261 120.912 120.400 0.418 0.000 2.149 299 D HA -0.120 4.519 4.640 -0.000 0.000 0.201 299 D C 1.542 177.959 176.300 0.196 0.000 0.972 299 D CA 0.691 54.904 54.000 0.354 0.000 0.835 299 D CB -0.087 40.976 40.800 0.438 0.000 0.966 299 D HN 0.019 nan 8.370 nan 0.000 0.476 300 F N 1.909 121.836 119.950 -0.037 0.000 2.102 300 F HA -0.149 4.378 4.527 0.000 0.000 0.298 300 F C 2.004 177.720 175.800 -0.140 0.000 1.105 300 F CA 1.174 59.041 58.000 -0.223 0.000 1.239 300 F CB -0.425 38.259 39.000 -0.526 0.000 0.991 300 F HN -0.064 nan 8.300 nan 0.000 0.474 301 N N 0.487 119.213 118.700 0.043 0.000 2.094 301 N HA -0.288 4.452 4.740 -0.000 0.000 0.191 301 N C 2.149 177.684 175.510 0.042 0.000 1.023 301 N CA 1.504 54.663 53.050 0.181 0.000 0.857 301 N CB -0.257 38.445 38.487 0.358 0.000 1.013 301 N HN 0.194 nan 8.380 nan 0.000 0.426 302 R N 1.044 121.573 120.500 0.049 0.000 2.075 302 R HA 0.036 4.376 4.340 -0.000 0.000 0.232 302 R C 2.254 178.533 176.300 -0.034 0.000 1.126 302 R CA 0.872 56.990 56.100 0.030 0.000 0.963 302 R CB -0.707 29.635 30.300 0.070 0.000 0.858 302 R HN 0.242 nan 8.270 nan 0.000 0.435 303 I N 0.552 121.064 120.570 -0.096 0.000 2.163 303 I HA -0.251 3.918 4.170 -0.000 0.000 0.243 303 I C 2.093 178.107 176.117 -0.173 0.000 1.085 303 I CA 1.250 62.462 61.300 -0.146 0.000 1.347 303 I CB -0.854 37.018 38.000 -0.213 0.000 1.044 303 I HN 0.166 nan 8.210 nan 0.000 0.408 304 I N 0.352 120.747 120.570 -0.291 0.000 2.394 304 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 304 I C 2.560 178.699 176.117 0.036 0.000 1.136 304 I CA 1.196 62.404 61.300 -0.154 0.000 1.425 304 I CB -0.441 37.399 38.000 -0.267 0.000 1.079 304 I HN 0.232 nan 8.210 nan 0.000 0.425 305 C N -0.775 118.523 119.300 -0.002 0.000 2.485 305 C HA -0.006 4.453 4.460 -0.000 0.000 0.277 305 C C 2.585 177.564 174.990 -0.019 0.000 1.376 305 C CA 1.115 60.131 59.018 -0.003 0.000 1.759 305 C CB -1.081 26.660 27.740 0.001 0.000 1.970 305 C HN 0.481 nan 8.230 nan 0.000 0.509 306 T N -1.538 113.009 114.554 -0.012 0.000 3.039 306 T HA -0.004 4.345 4.350 -0.000 0.000 0.250 306 T C 1.301 176.004 174.700 0.004 0.000 1.052 306 T CA 0.937 63.030 62.100 -0.012 0.000 1.125 306 T CB -0.047 68.814 68.868 -0.012 0.000 0.908 306 T HN 0.529 nan 8.240 nan 0.000 0.473 307 C N 0.828 120.146 119.300 0.029 0.000 3.336 307 C HA 0.600 5.060 4.460 -0.000 0.000 0.291 307 C C -0.231 174.853 174.990 0.157 0.000 1.363 307 C CA -0.965 58.086 59.018 0.055 0.000 1.737 307 C CB -0.900 26.851 27.740 0.019 0.000 2.274 307 C HN 0.464 nan 8.230 nan 0.000 0.663 308 F N 0.952 120.873 119.950 -0.048 0.000 2.631 308 F HA 0.496 5.023 4.527 0.000 0.000 0.308 308 F C -0.417 175.372 175.800 -0.019 0.000 1.097 308 F CA -0.855 57.130 58.000 -0.025 0.000 0.952 308 F CB 1.128 40.104 39.000 -0.039 0.000 1.307 308 F HN -0.238 nan 8.300 nan 0.000 0.450 309 N N 1.833 120.191 118.700 -0.570 0.000 2.299 309 N HA 0.422 5.162 4.740 -0.000 0.000 0.246 309 N C -0.477 174.673 175.510 -0.600 0.000 1.254 309 N CA 0.703 53.493 53.050 -0.434 0.000 0.879 309 N CB 1.061 39.452 38.487 -0.160 0.000 1.214 309 N HN 1.066 nan 8.380 nan 0.000 0.510 310 G N 0.031 108.023 108.800 -1.347 0.000 2.650 310 G HA2 0.159 4.119 3.960 -0.000 0.000 0.686 310 G HA3 0.159 4.119 3.960 -0.000 0.000 0.686 310 G C -0.475 174.100 174.900 -0.543 0.000 1.205 310 G CA -0.545 44.113 45.100 -0.737 0.000 0.781 310 G HN 0.331 nan 8.290 nan 0.000 0.648 311 A N 1.033 123.866 122.820 0.022 0.000 2.425 311 A HA 0.764 5.084 4.320 -0.000 0.000 0.242 311 A C 1.347 178.969 177.584 0.062 0.000 1.077 311 A CA 1.163 53.314 52.037 0.190 0.000 0.781 311 A CB 0.551 19.726 19.000 0.292 0.000 1.020 311 A HN 2.478 nan 8.150 nan 0.000 0.494 312 S N 0.796 116.535 115.700 0.065 0.000 2.546 312 S HA -0.013 4.456 4.470 -0.000 0.000 0.290 312 S C 1.354 175.960 174.600 0.011 0.000 1.290 312 S CA 0.063 58.272 58.200 0.015 0.000 1.069 312 S CB -0.068 63.136 63.200 0.006 0.000 0.846 312 S HN 0.868 nan 8.310 nan 0.000 0.495 313 N N 5.826 124.512 118.700 -0.024 0.000 2.223 313 N HA -0.142 4.597 4.740 -0.000 0.000 0.185 313 N C 1.397 176.892 175.510 -0.024 0.000 1.016 313 N CA 1.775 54.806 53.050 -0.032 0.000 0.863 313 N CB -0.623 37.816 38.487 -0.079 0.000 0.983 313 N HN 0.720 nan 8.380 nan 0.000 0.429 314 I N 0.057 120.607 120.570 -0.033 0.000 2.406 314 I HA -0.102 4.068 4.170 -0.000 0.000 0.249 314 I C 1.801 177.901 176.117 -0.028 0.000 1.122 314 I CA 0.660 61.937 61.300 -0.039 0.000 1.431 314 I CB -0.214 37.749 38.000 -0.062 0.000 1.087 314 I HN 0.075 nan 8.210 nan 0.000 0.424 315 S N 0.362 116.047 115.700 -0.024 0.000 2.382 315 S HA -0.209 4.260 4.470 -0.000 0.000 0.228 315 S C 1.939 176.608 174.600 0.115 0.000 1.027 315 S CA 1.211 59.411 58.200 0.001 0.000 0.991 315 S CB -0.262 62.950 63.200 0.021 0.000 0.823 315 S HN 0.462 nan 8.310 nan 0.000 0.469 316 Q N 0.850 120.703 119.800 0.088 0.000 2.084 316 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 316 Q C 2.534 178.564 176.000 0.049 0.000 0.978 316 Q CA 1.418 57.273 55.803 0.086 0.000 0.844 316 Q CB -0.396 28.386 28.738 0.074 0.000 0.898 316 Q HN 0.611 nan 8.270 nan 0.000 0.426 317 A N 0.892 123.730 122.820 0.031 0.000 1.972 317 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 317 A C 2.220 179.824 177.584 0.033 0.000 1.169 317 A CA 1.611 53.660 52.037 0.019 0.000 0.635 317 A CB -0.942 18.061 19.000 0.005 0.000 0.810 317 A HN 0.481 nan 8.150 nan 0.000 0.446 318 G N -0.617 108.230 108.800 0.080 0.000 2.394 318 G HA2 0.081 4.041 3.960 -0.000 0.000 0.214 318 G HA3 0.081 4.041 3.960 -0.000 0.000 0.214 318 G C 1.763 176.693 174.900 0.049 0.000 1.176 318 G CA 1.209 46.413 45.100 0.173 0.000 0.786 318 G HN 0.747 nan 8.290 nan 0.000 0.533 319 A N 0.489 123.266 122.820 -0.072 0.000 1.908 319 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 319 A C 2.368 179.769 177.584 -0.305 0.000 1.181 319 A CA 1.714 53.407 52.037 -0.573 0.000 0.627 319 A CB -0.504 18.209 19.000 -0.479 0.000 0.818 319 A HN 0.392 nan 8.150 nan 0.000 0.445 320 L N -0.368 120.795 121.223 -0.099 0.000 2.046 320 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 320 L C 2.732 179.581 176.870 -0.034 0.000 1.077 320 L CA 2.113 56.931 54.840 -0.036 0.000 0.747 320 L CB -0.601 41.454 42.059 -0.007 0.000 0.896 320 L HN 0.357 nan 8.230 nan 0.000 0.432 321 A N -1.803 120.998 122.820 -0.033 0.000 2.015 321 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 321 A C 2.345 179.914 177.584 -0.025 0.000 1.163 321 A CA 1.569 53.596 52.037 -0.016 0.000 0.646 321 A CB -1.366 17.639 19.000 0.008 0.000 0.806 321 A HN 0.621 nan 8.150 nan 0.000 0.448 322 C N -0.668 118.587 119.300 -0.074 0.000 2.422 322 C HA 0.029 4.488 4.460 -0.000 0.000 0.279 322 C C 1.444 176.454 174.990 0.033 0.000 1.305 322 C CA 0.250 59.249 59.018 -0.032 0.000 1.757 322 C CB -1.346 26.335 27.740 -0.098 0.000 1.962 322 C HN 0.521 nan 8.230 nan 0.000 0.499 323 L N 2.197 123.434 121.223 0.023 0.000 2.648 323 L HA 0.232 4.572 4.340 -0.000 0.000 0.238 323 L C 0.479 177.332 176.870 -0.029 0.000 1.316 323 L CA 0.185 55.030 54.840 0.009 0.000 1.241 323 L CB -1.109 40.971 42.059 0.035 0.000 1.499 323 L HN 0.458 nan 8.230 nan 0.000 0.411 324 T N -4.747 109.790 114.554 -0.028 0.000 2.864 324 T HA 0.434 4.784 4.350 -0.000 0.000 0.299 324 T C -2.364 172.313 174.700 -0.037 0.000 1.166 324 T CA -1.682 60.399 62.100 -0.032 0.000 1.007 324 T CB 2.243 71.100 68.868 -0.018 0.000 1.219 324 T HN -0.223 nan 8.240 nan 0.000 0.506 325 P HA -0.093 nan 4.420 nan 0.000 0.216 325 P C 1.375 178.657 177.300 -0.030 0.000 1.153 325 P CA 1.217 64.291 63.100 -0.043 0.000 0.858 325 P CB 0.177 31.854 31.700 -0.039 0.000 0.789 326 E N -0.630 119.559 120.200 -0.017 0.000 2.077 326 E HA -0.124 4.225 4.350 -0.000 0.000 0.193 326 E C 2.202 178.804 176.600 0.005 0.000 0.989 326 E CA 1.448 57.844 56.400 -0.006 0.000 0.800 326 E CB -0.957 28.742 29.700 -0.001 0.000 0.746 326 E HN 0.138 nan 8.360 nan 0.000 0.452 327 G N 0.923 109.726 108.800 0.005 0.000 2.421 327 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 327 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 327 G C 1.547 176.465 174.900 0.030 0.000 1.171 327 G CA 0.764 45.876 45.100 0.020 0.000 0.775 327 G HN 0.208 nan 8.290 nan 0.000 0.543 328 L N 0.140 121.366 121.223 0.005 0.000 2.046 328 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 328 L C 2.749 179.628 176.870 0.015 0.000 1.077 328 L CA 1.547 56.383 54.840 -0.007 0.000 0.747 328 L CB -0.367 41.650 42.059 -0.070 0.000 0.896 328 L HN 0.355 nan 8.230 nan 0.000 0.432 329 E N 0.397 120.597 120.200 0.000 0.000 2.077 329 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 329 E C 2.220 178.856 176.600 0.060 0.000 0.989 329 E CA 1.226 57.635 56.400 0.014 0.000 0.800 329 E CB 0.009 29.706 29.700 -0.005 0.000 0.746 329 E HN 0.456 nan 8.360 nan 0.000 0.452 330 A N 0.787 123.635 122.820 0.047 0.000 1.898 330 A HA -0.148 4.171 4.320 -0.000 0.000 0.216 330 A C 2.206 179.830 177.584 0.067 0.000 1.181 330 A CA 1.490 53.557 52.037 0.050 0.000 0.620 330 A CB -0.440 18.587 19.000 0.045 0.000 0.819 330 A HN 0.289 nan 8.150 nan 0.000 0.442 331 M N -1.653 117.998 119.600 0.084 0.000 2.132 331 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 331 M C 2.314 178.650 176.300 0.060 0.000 1.065 331 M CA 1.684 57.044 55.300 0.100 0.000 1.122 331 M CB -0.662 32.014 32.600 0.128 0.000 1.365 331 M HN 0.636 nan 8.290 nan 0.000 0.411 332 H N 0.741 119.791 119.070 -0.034 0.000 2.352 332 H HA -0.188 4.368 4.556 -0.000 0.000 0.299 332 H C 2.052 177.359 175.328 -0.035 0.000 1.097 332 H CA 2.020 58.032 56.048 -0.059 0.000 1.311 332 H CB 0.049 29.776 29.762 -0.059 0.000 1.377 332 H HN 0.275 nan 8.280 nan 0.000 0.504 333 K N 0.116 120.550 120.400 0.056 0.000 2.057 333 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 333 K C 2.274 178.853 176.600 -0.035 0.000 1.049 333 K CA 1.345 57.641 56.287 0.014 0.000 0.931 333 K CB -0.013 32.512 32.500 0.042 0.000 0.714 333 K HN 0.062 nan 8.250 nan 0.000 0.440 334 V N 1.197 121.089 119.914 -0.037 0.000 2.427 334 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 334 V C 2.173 178.225 176.094 -0.070 0.000 1.051 334 V CA 1.610 63.857 62.300 -0.087 0.000 1.048 334 V CB -0.337 31.475 31.823 -0.017 0.000 0.666 334 V HN 0.323 nan 8.190 nan 0.000 0.456 335 I N 0.782 121.326 120.570 -0.043 0.000 2.252 335 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 335 I C 2.565 178.634 176.117 -0.080 0.000 1.102 335 I CA 1.696 62.934 61.300 -0.102 0.000 1.385 335 I CB -0.800 36.940 38.000 -0.434 0.000 1.064 335 I HN 0.402 nan 8.210 nan 0.000 0.414 336 G N 0.385 109.088 108.800 -0.160 0.000 2.432 336 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 336 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 336 G C 1.574 176.480 174.900 0.009 0.000 1.135 336 G CA 0.351 45.386 45.100 -0.110 0.000 0.767 336 G HN 0.332 nan 8.290 nan 0.000 0.550 337 F N 0.908 120.781 119.950 -0.128 0.000 2.046 337 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 337 F C 2.478 178.262 175.800 -0.027 0.000 1.123 337 F CA 1.281 59.207 58.000 -0.123 0.000 1.199 337 F CB -0.352 38.495 39.000 -0.256 0.000 0.972 337 F HN 0.166 nan 8.300 nan 0.000 0.474 338 Y N 1.014 121.395 120.300 0.135 0.000 2.256 338 Y HA -0.197 4.353 4.550 -0.000 0.000 0.288 338 Y C 2.380 178.218 175.900 -0.103 0.000 1.155 338 Y CA 1.467 59.565 58.100 -0.004 0.000 1.203 338 Y CB -1.150 37.449 38.460 0.232 0.000 0.980 338 Y HN 0.135 nan 8.280 nan 0.000 0.530 339 K N -0.336 120.141 120.400 0.128 0.000 2.097 339 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 339 K C 2.025 178.606 176.600 -0.031 0.000 1.050 339 K CA 1.463 57.782 56.287 0.053 0.000 0.938 339 K CB -0.091 32.442 32.500 0.055 0.000 0.718 339 K HN 0.121 nan 8.250 nan 0.000 0.442 340 E N 1.438 121.587 120.200 -0.083 0.000 2.106 340 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 340 E C 1.478 177.993 176.600 -0.142 0.000 0.984 340 E CA 1.304 57.639 56.400 -0.108 0.000 0.806 340 E CB -0.096 29.530 29.700 -0.124 0.000 0.750 340 E HN 0.162 nan 8.360 nan 0.000 0.458 341 N N -0.276 118.286 118.700 -0.230 0.000 2.069 341 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 341 N C 1.699 177.161 175.510 -0.080 0.000 1.031 341 N CA 2.051 54.998 53.050 -0.172 0.000 0.852 341 N CB -0.919 37.465 38.487 -0.172 0.000 1.018 341 N HN 0.230 nan 8.380 nan 0.000 0.423 342 T N 1.624 116.127 114.554 -0.086 0.000 2.720 342 T HA -0.077 4.272 4.350 -0.000 0.000 0.268 342 T C 1.535 176.224 174.700 -0.019 0.000 1.037 342 T CA 1.049 63.108 62.100 -0.067 0.000 1.144 342 T CB -0.233 68.576 68.868 -0.100 0.000 0.864 342 T HN 0.267 nan 8.240 nan 0.000 0.444 343 N N 1.268 119.956 118.700 -0.021 0.000 2.084 343 N HA 0.015 4.755 4.740 -0.000 0.000 0.190 343 N C 1.936 177.452 175.510 0.010 0.000 1.030 343 N CA 0.962 54.011 53.050 -0.003 0.000 0.849 343 N CB -0.533 37.949 38.487 -0.009 0.000 1.012 343 N HN 0.378 nan 8.380 nan 0.000 0.423 344 I N 1.152 121.722 120.570 0.000 0.000 2.185 344 I HA -0.279 3.891 4.170 -0.000 0.000 0.246 344 I C 2.044 178.191 176.117 0.050 0.000 1.088 344 I CA 1.161 62.470 61.300 0.015 0.000 1.347 344 I CB -0.241 37.761 38.000 0.003 0.000 1.041 344 I HN 0.070 nan 8.210 nan 0.000 0.415 345 I N 0.068 120.686 120.570 0.080 0.000 2.286 345 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 345 I C 2.460 178.698 176.117 0.201 0.000 1.104 345 I CA 1.313 62.716 61.300 0.171 0.000 1.397 345 I CB -0.188 37.936 38.000 0.207 0.000 1.072 345 I HN 0.118 nan 8.210 nan 0.000 0.417 346 I N 0.901 121.545 120.570 0.123 0.000 2.127 346 I HA -0.349 3.821 4.170 -0.000 0.000 0.241 346 I C 2.088 178.259 176.117 0.091 0.000 1.075 346 I CA 1.590 62.953 61.300 0.104 0.000 1.334 346 I CB -0.384 37.644 38.000 0.047 0.000 1.040 346 I HN 0.254 nan 8.210 nan 0.000 0.405 347 D N 0.118 120.550 120.400 0.054 0.000 2.149 347 D HA -0.154 4.485 4.640 -0.000 0.000 0.198 347 D C 2.172 178.484 176.300 0.020 0.000 0.990 347 D CA 1.511 55.529 54.000 0.031 0.000 0.839 347 D CB -0.429 40.382 40.800 0.017 0.000 0.948 347 D HN 0.298 nan 8.370 nan 0.000 0.460 348 T N 0.304 114.861 114.554 0.005 0.000 2.674 348 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 348 T C 1.789 176.398 174.700 -0.152 0.000 1.039 348 T CA 0.897 62.944 62.100 -0.087 0.000 1.150 348 T CB -0.458 68.329 68.868 -0.134 0.000 0.864 348 T HN 0.084 nan 8.240 nan 0.000 0.427 349 F N 1.091 121.036 119.950 -0.008 0.000 2.234 349 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 349 F C 2.923 178.734 175.800 0.019 0.000 1.087 349 F CA 1.199 59.174 58.000 -0.042 0.000 1.340 349 F CB -0.908 37.972 39.000 -0.200 0.000 1.031 349 F HN 0.187 nan 8.300 nan 0.000 0.500 350 T N -1.435 113.201 114.554 0.138 0.000 2.904 350 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 350 T C 2.341 177.061 174.700 0.033 0.000 1.059 350 T CA 1.514 63.652 62.100 0.063 0.000 1.137 350 T CB -0.576 68.303 68.868 0.019 0.000 0.879 350 T HN 0.315 nan 8.240 nan 0.000 0.467 351 S N 0.974 116.688 115.700 0.023 0.000 2.419 351 S HA 0.052 4.522 4.470 -0.000 0.000 0.233 351 S C 1.903 176.504 174.600 0.002 0.000 1.016 351 S CA 0.898 59.100 58.200 0.002 0.000 0.974 351 S CB -0.795 62.401 63.200 -0.007 0.000 0.786 351 S HN 0.605 nan 8.310 nan 0.000 0.492 352 L N 1.003 122.250 121.223 0.039 0.000 2.591 352 L HA 0.308 4.648 4.340 -0.000 0.000 0.228 352 L C 1.754 178.584 176.870 -0.066 0.000 1.133 352 L CA 0.326 55.199 54.840 0.056 0.000 0.880 352 L CB -0.592 41.588 42.059 0.203 0.000 1.033 352 L HN 0.615 nan 8.230 nan 0.000 0.450 353 G N -1.051 107.707 108.800 -0.071 0.000 2.137 353 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.237 353 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.237 353 G C -0.064 174.657 174.900 -0.298 0.000 1.002 353 G CA -0.353 44.642 45.100 -0.175 0.000 0.702 353 G HN 0.252 nan 8.290 nan 0.000 0.515 354 Y N 0.801 121.015 120.300 -0.145 0.000 2.301 354 Y HA 0.425 4.975 4.550 -0.000 0.000 0.328 354 Y C 0.822 176.594 175.900 -0.213 0.000 1.242 354 Y CA -0.487 57.472 58.100 -0.235 0.000 1.323 354 Y CB 0.692 38.954 38.460 -0.331 0.000 1.266 354 Y HN 0.052 nan 8.280 nan 0.000 0.527 355 D N 2.016 122.375 120.400 -0.068 0.000 2.339 355 D HA 0.230 4.870 4.640 -0.000 0.000 0.256 355 D C -0.827 175.298 176.300 -0.292 0.000 1.214 355 D CA 0.216 54.112 54.000 -0.173 0.000 0.877 355 D CB 1.118 41.892 40.800 -0.044 0.000 1.111 355 D HN 0.290 nan 8.370 nan 0.000 0.478 356 V N 3.801 123.423 119.914 -0.488 0.000 2.577 356 V HA 0.534 4.654 4.120 -0.000 0.000 0.303 356 V C -1.682 174.094 176.094 -0.530 0.000 1.042 356 V CA -0.527 61.540 62.300 -0.389 0.000 0.872 356 V CB 0.969 32.694 31.823 -0.164 0.000 0.998 356 V HN 0.344 nan 8.190 nan 0.000 0.423 357 Y N 4.480 124.879 120.300 0.164 0.000 2.587 357 Y HA 0.943 5.493 4.550 -0.000 0.000 0.337 357 Y C 1.082 177.020 175.900 0.064 0.000 1.065 357 Y CA 0.378 58.590 58.100 0.187 0.000 1.126 357 Y CB 1.855 40.531 38.460 0.360 0.000 1.279 357 Y HN 1.306 nan 8.280 nan 0.000 0.489 358 G N 0.253 109.141 108.800 0.146 0.000 2.593 358 G HA2 0.184 4.144 3.960 -0.000 0.000 0.237 358 G HA3 0.184 4.144 3.960 -0.000 0.000 0.237 358 G C 0.837 175.740 174.900 0.005 0.000 1.312 358 G CA 0.217 45.313 45.100 -0.007 0.000 0.896 358 G HN 1.921 nan 8.290 nan 0.000 0.574 359 G N -1.426 107.351 108.800 -0.039 0.000 2.220 359 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.269 359 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.269 359 G C 1.208 176.097 174.900 -0.017 0.000 0.977 359 G CA 1.948 47.024 45.100 -0.040 0.000 0.634 359 G HN 1.623 nan 8.290 nan 0.000 0.539 360 K N 0.157 120.559 120.400 0.002 0.000 2.099 360 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 360 K C 1.630 178.253 176.600 0.039 0.000 1.047 360 K CA 1.375 57.677 56.287 0.026 0.000 0.963 360 K CB -0.025 32.500 32.500 0.042 0.000 0.759 360 K HN 0.259 nan 8.250 nan 0.000 0.451 361 N N -0.139 118.580 118.700 0.031 0.000 2.235 361 N HA 0.275 5.014 4.740 -0.000 0.000 0.231 361 N C -1.305 174.246 175.510 0.068 0.000 1.177 361 N CA 0.321 53.413 53.050 0.070 0.000 0.874 361 N CB 1.654 40.184 38.487 0.071 0.000 1.097 361 N HN 0.201 nan 8.380 nan 0.000 0.518 362 A N 0.631 123.429 122.820 -0.037 0.000 2.605 362 A HA 0.511 4.831 4.320 -0.000 0.000 0.294 362 A C -2.682 174.635 177.584 -0.445 0.000 1.062 362 A CA -0.867 51.013 52.037 -0.262 0.000 0.682 362 A CB 1.543 20.362 19.000 -0.301 0.000 1.278 362 A HN -0.161 nan 8.150 nan 0.000 0.410 363 P HA 0.295 nan 4.420 nan 0.000 0.236 363 P C -1.169 175.476 177.300 -1.090 0.000 1.709 363 P CA 0.426 62.918 63.100 -1.014 0.000 0.942 363 P CB -0.585 30.188 31.700 -1.545 0.000 1.615 364 Y N -1.292 118.743 120.300 -0.442 0.000 2.477 364 Y HA 0.405 4.955 4.550 -0.000 0.000 0.347 364 Y C 0.094 175.873 175.900 -0.202 0.000 0.981 364 Y CA -1.390 56.513 58.100 -0.329 0.000 1.033 364 Y CB 2.194 40.409 38.460 -0.408 0.000 1.245 364 Y HN -0.336 nan 8.280 nan 0.000 0.455 365 V N 2.566 122.524 119.914 0.072 0.000 2.448 365 V HA 0.206 4.326 4.120 -0.000 0.000 0.295 365 V C -1.018 175.146 176.094 0.117 0.000 1.025 365 V CA -1.069 61.261 62.300 0.049 0.000 0.859 365 V CB 1.795 33.623 31.823 0.009 0.000 0.988 365 V HN 0.868 nan 8.190 nan 0.000 0.431 366 W N 6.352 127.585 121.300 -0.111 0.000 2.295 366 W HA 0.572 5.232 4.660 -0.000 0.000 0.333 366 W C -1.226 175.353 176.519 0.100 0.000 0.990 366 W CA -0.690 56.618 57.345 -0.062 0.000 1.453 366 W CB 1.540 30.907 29.460 -0.156 0.000 1.263 366 W HN 0.389 nan 8.180 nan 0.000 0.380 367 V N 5.697 125.512 119.914 -0.165 0.000 2.383 367 V HA 0.012 4.132 4.120 -0.000 0.000 0.275 367 V C 0.150 176.074 176.094 -0.282 0.000 1.036 367 V CA -0.411 61.678 62.300 -0.351 0.000 0.889 367 V CB 0.829 32.144 31.823 -0.845 0.000 0.985 367 V HN 0.364 nan 8.190 nan 0.000 0.459 368 H N 4.724 123.600 119.070 -0.323 0.000 2.690 368 H HA 0.431 4.987 4.556 -0.000 0.000 0.314 368 H C -1.113 173.888 175.328 -0.546 0.000 1.069 368 H CA -0.288 55.403 56.048 -0.594 0.000 1.436 368 H CB 0.428 29.922 29.762 -0.446 0.000 1.462 368 H HN 0.479 nan 8.280 nan 0.000 0.511 369 F N 7.544 126.996 119.950 -0.831 0.000 2.366 369 F HA 0.285 4.812 4.527 -0.000 0.000 0.366 369 F C -1.987 173.417 175.800 -0.660 0.000 1.096 369 F CA -2.318 55.375 58.000 -0.512 0.000 1.060 369 F CB 1.149 39.937 39.000 -0.354 0.000 1.282 369 F HN 0.519 nan 8.300 nan 0.000 0.450 370 P HA 0.072 nan 4.420 nan 0.000 0.272 370 P C -0.466 176.773 177.300 -0.102 0.000 1.223 370 P CA -0.022 62.948 63.100 -0.215 0.000 0.784 370 P CB 0.662 32.343 31.700 -0.031 0.000 0.923 371 N N -0.854 117.803 118.700 -0.071 0.000 2.708 371 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 371 N C -0.461 175.031 175.510 -0.029 0.000 1.097 371 N CA 0.800 53.829 53.050 -0.033 0.000 0.710 371 N CB -0.776 37.703 38.487 -0.013 0.000 1.032 371 N HN 0.567 nan 8.380 nan 0.000 0.551 372 Q N -0.361 119.406 119.800 -0.054 0.000 2.340 372 Q HA 0.330 4.670 4.340 -0.000 0.000 0.276 372 Q C -0.698 175.263 176.000 -0.065 0.000 1.048 372 Q CA -0.690 55.087 55.803 -0.044 0.000 0.832 372 Q CB 1.902 30.619 28.738 -0.036 0.000 1.373 372 Q HN 0.285 nan 8.270 nan 0.000 0.409 373 S N 0.384 116.067 115.700 -0.029 0.000 2.576 373 S HA 0.161 4.631 4.470 -0.000 0.000 0.276 373 S C 0.846 175.419 174.600 -0.046 0.000 1.339 373 S CA -0.082 58.113 58.200 -0.008 0.000 1.039 373 S CB 1.304 64.539 63.200 0.057 0.000 0.902 373 S HN 0.635 nan 8.310 nan 0.000 0.516 374 S N 1.704 117.363 115.700 -0.068 0.000 2.359 374 S HA -0.144 4.325 4.470 -0.000 0.000 0.224 374 S C 1.261 175.779 174.600 -0.136 0.000 1.035 374 S CA 1.591 59.694 58.200 -0.161 0.000 1.018 374 S CB -0.781 62.296 63.200 -0.205 0.000 0.876 374 S HN 0.895 nan 8.310 nan 0.000 0.448 375 W N 2.014 123.287 121.300 -0.045 0.000 2.363 375 W HA -0.092 4.568 4.660 -0.000 0.000 0.296 375 W C 2.043 178.588 176.519 0.043 0.000 1.212 375 W CA 0.715 58.042 57.345 -0.030 0.000 1.260 375 W CB -0.310 29.101 29.460 -0.082 0.000 1.131 375 W HN 0.243 nan 8.180 nan 0.000 0.530 376 D N -0.440 120.081 120.400 0.200 0.000 2.144 376 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 376 D C 2.269 178.593 176.300 0.040 0.000 0.978 376 D CA 1.309 55.378 54.000 0.115 0.000 0.833 376 D CB -0.701 40.133 40.800 0.055 0.000 0.961 376 D HN -0.011 nan 8.370 nan 0.000 0.470 377 V N 1.061 120.931 119.914 -0.073 0.000 2.343 377 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 377 V C 2.174 178.176 176.094 -0.152 0.000 1.051 377 V CA 1.294 63.441 62.300 -0.256 0.000 1.036 377 V CB -0.649 30.784 31.823 -0.651 0.000 0.654 377 V HN 0.110 nan 8.190 nan 0.000 0.451 378 F N 1.841 121.675 119.950 -0.194 0.000 2.065 378 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 378 F C 2.279 178.069 175.800 -0.017 0.000 1.112 378 F CA 1.897 59.828 58.000 -0.115 0.000 1.212 378 F CB -0.624 38.294 39.000 -0.137 0.000 0.975 378 F HN 0.069 nan 8.300 nan 0.000 0.476 379 A N -0.002 122.940 122.820 0.204 0.000 1.877 379 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 379 A C 2.267 179.827 177.584 -0.039 0.000 1.186 379 A CA 1.735 53.842 52.037 0.116 0.000 0.620 379 A CB -1.182 17.973 19.000 0.258 0.000 0.822 379 A HN 0.632 nan 8.150 nan 0.000 0.443 380 E N -0.124 120.060 120.200 -0.027 0.000 2.049 380 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 380 E C 1.902 178.442 176.600 -0.100 0.000 1.007 380 E CA 1.641 58.012 56.400 -0.048 0.000 0.809 380 E CB -0.268 29.413 29.700 -0.032 0.000 0.749 380 E HN 0.651 nan 8.360 nan 0.000 0.450 381 I N 0.635 121.130 120.570 -0.126 0.000 2.226 381 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 381 I C 2.560 178.551 176.117 -0.210 0.000 1.100 381 I CA 0.530 61.773 61.300 -0.095 0.000 1.374 381 I CB -0.210 37.800 38.000 0.017 0.000 1.057 381 I HN 0.271 nan 8.210 nan 0.000 0.413 382 L N 1.071 122.084 121.223 -0.349 0.000 2.027 382 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 382 L C 2.419 179.063 176.870 -0.377 0.000 1.074 382 L CA 1.977 56.539 54.840 -0.463 0.000 0.745 382 L CB -0.730 40.948 42.059 -0.635 0.000 0.898 382 L HN 0.155 nan 8.230 nan 0.000 0.433 383 E N 0.180 120.297 120.200 -0.139 0.000 2.058 383 E HA -0.256 4.093 4.350 -0.000 0.000 0.194 383 E C 2.110 178.617 176.600 -0.155 0.000 0.997 383 E CA 2.020 58.457 56.400 0.061 0.000 0.801 383 E CB -0.122 29.631 29.700 0.089 0.000 0.746 383 E HN 0.557 nan 8.360 nan 0.000 0.450 384 K N -1.345 118.920 120.400 -0.226 0.000 2.211 384 K HA 0.060 4.379 4.320 -0.000 0.000 0.201 384 K C 1.856 178.234 176.600 -0.369 0.000 1.052 384 K CA 1.401 57.532 56.287 -0.260 0.000 0.973 384 K CB 0.293 32.691 32.500 -0.169 0.000 0.766 384 K HN 0.314 nan 8.250 nan 0.000 0.466 385 T N -3.349 110.974 114.554 -0.384 0.000 2.975 385 T HA 0.049 4.399 4.350 -0.000 0.000 0.257 385 T C 0.064 174.629 174.700 -0.225 0.000 1.003 385 T CA -0.379 61.558 62.100 -0.273 0.000 0.932 385 T CB 0.054 68.803 68.868 -0.198 0.000 1.087 385 T HN 0.182 nan 8.240 nan 0.000 0.512 386 H N -0.024 118.975 119.070 -0.119 0.000 2.839 386 H HA -0.098 4.458 4.556 -0.000 0.000 0.298 386 H C -0.660 174.570 175.328 -0.163 0.000 1.224 386 H CA 0.549 56.503 56.048 -0.157 0.000 1.144 386 H CB -2.472 27.306 29.762 0.027 0.000 1.372 386 H HN 0.379 nan 8.280 nan 0.000 0.408 387 V N 1.311 121.144 119.914 -0.135 0.000 2.448 387 V HA 0.326 4.446 4.120 -0.000 0.000 0.295 387 V C 0.743 176.783 176.094 -0.090 0.000 1.025 387 V CA -0.868 61.384 62.300 -0.079 0.000 0.859 387 V CB 2.416 34.172 31.823 -0.112 0.000 0.988 387 V HN 0.121 nan 8.190 nan 0.000 0.431 388 V N 4.724 124.625 119.914 -0.022 0.000 2.498 388 V HA 0.623 4.743 4.120 -0.000 0.000 0.279 388 V C 0.619 176.797 176.094 0.140 0.000 1.048 388 V CA -0.018 62.286 62.300 0.006 0.000 0.967 388 V CB 1.214 33.107 31.823 0.116 0.000 0.988 388 V HN 1.086 nan 8.190 nan 0.000 0.473 389 T N 0.863 115.524 114.554 0.178 0.000 2.693 389 T HA 0.637 4.987 4.350 -0.000 0.000 0.278 389 T C -0.384 174.539 174.700 0.372 0.000 0.994 389 T CA -0.742 61.515 62.100 0.261 0.000 1.033 389 T CB 2.088 71.057 68.868 0.169 0.000 1.342 389 T HN 0.508 nan 8.240 nan 0.000 0.538 390 T N 3.054 117.761 114.554 0.255 0.000 2.841 390 T HA 0.590 4.940 4.350 -0.000 0.000 0.285 390 T C -2.901 171.791 174.700 -0.012 0.000 0.991 390 T CA -1.190 60.972 62.100 0.103 0.000 0.966 390 T CB 1.611 70.629 68.868 0.250 0.000 0.962 390 T HN 0.564 nan 8.240 nan 0.000 0.438 391 P HA 0.182 nan 4.420 nan 0.000 0.276 391 P C 1.099 178.292 177.300 -0.178 0.000 1.235 391 P CA -0.149 62.663 63.100 -0.479 0.000 0.772 391 P CB 0.873 31.809 31.700 -1.272 0.000 0.871 392 G N 2.956 111.800 108.800 0.074 0.000 2.462 392 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 392 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 392 G C 1.522 176.650 174.900 0.381 0.000 1.121 392 G CA 0.989 46.373 45.100 0.473 0.000 0.758 392 G HN 0.598 nan 8.290 nan 0.000 0.559 393 S N 0.453 116.195 115.700 0.071 0.000 2.474 393 S HA 0.084 4.554 4.470 -0.000 0.000 0.235 393 S C 2.385 176.980 174.600 -0.008 0.000 0.997 393 S CA 1.188 59.432 58.200 0.074 0.000 0.949 393 S CB -0.491 62.745 63.200 0.061 0.000 0.766 393 S HN 0.403 nan 8.310 nan 0.000 0.517 394 G N 0.463 109.117 108.800 -0.244 0.000 2.479 394 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.220 394 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.220 394 G C 0.685 175.239 174.900 -0.576 0.000 1.115 394 G CA 0.501 45.295 45.100 -0.509 0.000 0.757 394 G HN 0.639 nan 8.290 nan 0.000 0.560 395 F N 0.758 120.671 119.950 -0.061 0.000 2.639 395 F HA 0.472 4.999 4.527 -0.000 0.000 0.302 395 F C 1.338 177.168 175.800 0.049 0.000 1.097 395 F CA 0.209 58.183 58.000 -0.043 0.000 1.294 395 F CB 0.561 39.509 39.000 -0.088 0.000 1.027 395 F HN 0.339 nan 8.300 nan 0.000 0.550 396 G N 0.965 109.891 108.800 0.210 0.000 2.479 396 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 396 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 396 G C -2.277 172.737 174.900 0.191 0.000 1.295 396 G CA -0.682 44.562 45.100 0.242 0.000 0.922 396 G HN -0.132 nan 8.290 nan 0.000 0.582 397 P HA -0.027 nan 4.420 nan 0.000 0.218 397 P C 1.863 179.240 177.300 0.128 0.000 1.149 397 P CA 1.964 65.099 63.100 0.060 0.000 0.817 397 P CB -0.202 31.444 31.700 -0.089 0.000 0.785 398 G N -0.097 108.795 108.800 0.153 0.000 2.559 398 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.216 398 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.216 398 G C 1.594 176.697 174.900 0.338 0.000 1.126 398 G CA 0.637 45.860 45.100 0.206 0.000 0.778 398 G HN 0.416 nan 8.290 nan 0.000 0.543 399 G N -0.290 108.737 108.800 0.380 0.000 2.777 399 G HA2 0.138 4.098 3.960 -0.000 0.000 0.211 399 G HA3 0.138 4.098 3.960 -0.000 0.000 0.211 399 G C 0.537 175.730 174.900 0.489 0.000 1.149 399 G CA -0.113 45.343 45.100 0.593 0.000 0.785 399 G HN 0.398 nan 8.290 nan 0.000 0.536 400 E N 0.514 120.910 120.200 0.327 0.000 2.480 400 E HA 0.371 4.720 4.350 -0.000 0.000 0.258 400 E C 1.336 178.022 176.600 0.143 0.000 0.984 400 E CA 1.013 57.527 56.400 0.189 0.000 0.930 400 E CB 0.084 29.860 29.700 0.126 0.000 0.936 400 E HN 0.386 nan 8.360 nan 0.000 0.466 401 G N 3.113 111.882 108.800 -0.051 0.000 2.194 401 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.236 401 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.236 401 G C -0.084 174.423 174.900 -0.655 0.000 0.987 401 G CA 0.019 44.906 45.100 -0.355 0.000 0.635 401 G HN 0.384 nan 8.290 nan 0.000 0.520 402 F N -0.357 119.395 119.950 -0.329 0.000 2.556 402 F HA 0.772 5.299 4.527 -0.000 0.000 0.327 402 F C 0.325 175.818 175.800 -0.513 0.000 1.059 402 F CA -1.163 56.445 58.000 -0.653 0.000 0.953 402 F CB 2.367 40.377 39.000 -1.651 0.000 1.227 402 F HN -0.006 nan 8.300 nan 0.000 0.478 403 V N 2.100 121.864 119.914 -0.250 0.000 2.604 403 V HA 0.457 4.577 4.120 -0.000 0.000 0.305 403 V C -0.429 175.650 176.094 -0.025 0.000 1.043 403 V CA -1.024 61.204 62.300 -0.119 0.000 0.888 403 V CB 1.945 33.684 31.823 -0.141 0.000 0.995 403 V HN 0.656 nan 8.190 nan 0.000 0.429 404 R N 3.135 123.754 120.500 0.199 0.000 2.254 404 R HA 0.637 4.977 4.340 -0.000 0.000 0.318 404 R C -1.427 174.967 176.300 0.157 0.000 1.031 404 R CA -0.272 55.970 56.100 0.238 0.000 0.905 404 R CB 1.336 31.736 30.300 0.167 0.000 1.050 404 R HN 0.544 nan 8.270 nan 0.000 0.456 405 V N 3.725 123.711 119.914 0.119 0.000 2.378 405 V HA 0.173 4.293 4.120 -0.000 0.000 0.288 405 V C 0.216 176.429 176.094 0.200 0.000 1.016 405 V CA -0.677 61.712 62.300 0.148 0.000 0.840 405 V CB 1.333 33.196 31.823 0.067 0.000 0.994 405 V HN 0.824 nan 8.190 nan 0.000 0.431 406 S N 3.863 119.715 115.700 0.254 0.000 2.565 406 S HA 0.523 4.993 4.470 -0.000 0.000 0.276 406 S C 1.091 175.694 174.600 0.005 0.000 1.326 406 S CA 0.203 58.522 58.200 0.198 0.000 1.045 406 S CB 1.491 64.902 63.200 0.351 0.000 0.918 406 S HN 1.019 nan 8.310 nan 0.000 0.505 407 A N 4.427 127.058 122.820 -0.316 0.000 2.308 407 A HA 0.365 4.685 4.320 -0.000 0.000 0.217 407 A C 0.072 177.517 177.584 -0.231 0.000 1.216 407 A CA -0.324 51.555 52.037 -0.264 0.000 0.864 407 A CB -0.269 18.522 19.000 -0.349 0.000 0.902 407 A HN 0.705 nan 8.150 nan 0.000 0.499 408 F N 0.848 120.710 119.950 -0.146 0.000 2.506 408 F HA 0.481 5.008 4.527 -0.000 0.000 0.371 408 F C 1.100 176.916 175.800 0.028 0.000 1.078 408 F CA 0.585 58.461 58.000 -0.206 0.000 1.195 408 F CB 0.480 39.277 39.000 -0.338 0.000 1.099 408 F HN 0.236 nan 8.300 nan 0.000 0.548 409 G N 1.960 110.991 108.800 0.386 0.000 2.355 409 G HA2 0.176 4.136 3.960 -0.000 0.000 0.296 409 G HA3 0.176 4.136 3.960 -0.000 0.000 0.296 409 G C -1.619 173.518 174.900 0.394 0.000 1.507 409 G CA -1.164 44.082 45.100 0.244 0.000 0.823 409 G HN 0.447 nan 8.290 nan 0.000 0.569 410 H N 0.211 119.497 119.070 0.359 0.000 2.998 410 H HA 0.124 4.679 4.556 -0.000 0.000 0.353 410 H C 1.763 177.294 175.328 0.338 0.000 1.099 410 H CA 0.358 56.619 56.048 0.356 0.000 1.393 410 H CB 1.098 30.985 29.762 0.210 0.000 1.343 410 H HN 0.642 nan 8.280 nan 0.000 0.609 411 R N 1.753 122.583 120.500 0.550 0.000 2.083 411 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 411 R C 1.849 178.262 176.300 0.189 0.000 1.137 411 R CA 1.928 58.212 56.100 0.306 0.000 0.951 411 R CB -0.306 30.188 30.300 0.324 0.000 0.851 411 R HN 0.643 nan 8.270 nan 0.000 0.434 412 E N 0.172 120.488 120.200 0.193 0.000 2.150 412 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 412 E C 1.298 177.964 176.600 0.110 0.000 0.985 412 E CA 1.414 57.889 56.400 0.125 0.000 0.814 412 E CB -0.315 29.450 29.700 0.108 0.000 0.752 412 E HN 0.378 nan 8.360 nan 0.000 0.466 413 N N 0.105 118.897 118.700 0.153 0.000 2.270 413 N HA -0.074 4.666 4.740 -0.000 0.000 0.181 413 N C 1.560 177.116 175.510 0.077 0.000 1.016 413 N CA 0.879 53.998 53.050 0.114 0.000 0.870 413 N CB -0.072 38.503 38.487 0.146 0.000 0.979 413 N HN 0.243 nan 8.380 nan 0.000 0.431 414 I N 1.043 121.673 120.570 0.100 0.000 2.286 414 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 414 I C 2.180 178.323 176.117 0.043 0.000 1.104 414 I CA 0.656 62.001 61.300 0.075 0.000 1.397 414 I CB -0.993 37.048 38.000 0.069 0.000 1.072 414 I HN 0.076 nan 8.210 nan 0.000 0.417 415 L N 0.393 121.641 121.223 0.043 0.000 2.017 415 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 415 L C 2.652 179.518 176.870 -0.006 0.000 1.073 415 L CA 1.397 56.251 54.840 0.023 0.000 0.745 415 L CB -0.597 41.481 42.059 0.032 0.000 0.894 415 L HN 0.178 nan 8.230 nan 0.000 0.432 416 E N 0.646 120.842 120.200 -0.008 0.000 2.058 416 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 416 E C 2.085 178.614 176.600 -0.118 0.000 0.997 416 E CA 1.756 58.132 56.400 -0.040 0.000 0.801 416 E CB -0.199 29.493 29.700 -0.014 0.000 0.746 416 E HN 0.375 nan 8.360 nan 0.000 0.450 417 A N -0.187 122.545 122.820 -0.146 0.000 1.902 417 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 417 A C 2.644 179.915 177.584 -0.523 0.000 1.181 417 A CA 1.590 53.405 52.037 -0.369 0.000 0.623 417 A CB -1.060 17.786 19.000 -0.257 0.000 0.818 417 A HN 0.500 nan 8.150 nan 0.000 0.443 418 C N -0.596 118.603 119.300 -0.167 0.000 2.440 418 C HA -0.052 4.408 4.460 -0.000 0.000 0.278 418 C C 2.900 177.863 174.990 -0.045 0.000 1.295 418 C CA 1.251 60.267 59.018 -0.004 0.000 1.738 418 C CB -1.275 26.499 27.740 0.057 0.000 1.987 418 C HN 0.848 nan 8.230 nan 0.000 0.492 419 R N 1.249 121.705 120.500 -0.073 0.000 2.090 419 R HA -0.007 4.333 4.340 -0.000 0.000 0.228 419 R C 2.016 178.276 176.300 -0.068 0.000 1.110 419 R CA 1.367 57.438 56.100 -0.048 0.000 0.973 419 R CB -0.569 29.713 30.300 -0.031 0.000 0.869 419 R HN 0.334 nan 8.270 nan 0.000 0.440 420 R N -0.166 120.245 120.500 -0.148 0.000 2.091 420 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 420 R C 1.833 178.065 176.300 -0.113 0.000 1.136 420 R CA 1.992 57.988 56.100 -0.174 0.000 0.959 420 R CB -0.468 29.672 30.300 -0.267 0.000 0.856 420 R HN 0.207 nan 8.270 nan 0.000 0.437 421 F N 0.891 120.811 119.950 -0.049 0.000 2.102 421 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 421 F C 2.081 177.887 175.800 0.010 0.000 1.105 421 F CA 1.267 59.254 58.000 -0.022 0.000 1.239 421 F CB -0.513 38.393 39.000 -0.156 0.000 0.991 421 F HN -0.068 nan 8.300 nan 0.000 0.474 422 K N -0.279 120.207 120.400 0.143 0.000 2.002 422 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 422 K C 2.122 178.756 176.600 0.058 0.000 1.048 422 K CA 1.586 57.922 56.287 0.082 0.000 0.930 422 K CB -0.404 32.106 32.500 0.017 0.000 0.714 422 K HN 0.098 nan 8.250 nan 0.000 0.438 423 Q N 1.236 121.051 119.800 0.025 0.000 2.077 423 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 423 Q C 1.955 177.979 176.000 0.040 0.000 0.989 423 Q CA 1.507 57.325 55.803 0.025 0.000 0.853 423 Q CB -0.326 28.417 28.738 0.009 0.000 0.907 423 Q HN 0.229 nan 8.270 nan 0.000 0.418 424 L N -1.050 120.156 121.223 -0.028 0.000 2.017 424 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 424 L C 1.406 178.259 176.870 -0.028 0.000 1.073 424 L CA 1.908 56.661 54.840 -0.145 0.000 0.745 424 L CB -0.496 41.294 42.059 -0.450 0.000 0.894 424 L HN 0.335 nan 8.230 nan 0.000 0.432 425 Y N -0.538 119.889 120.300 0.213 0.000 2.458 425 Y HA 0.099 4.649 4.550 -0.000 0.000 0.254 425 Y C 2.172 178.169 175.900 0.161 0.000 1.120 425 Y CA 0.448 58.703 58.100 0.259 0.000 1.282 425 Y CB -0.440 38.203 38.460 0.304 0.000 1.109 425 Y HN 0.285 nan 8.280 nan 0.000 0.526 426 K N -0.564 119.923 120.400 0.145 0.000 2.103 426 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 426 K C 0.819 177.303 176.600 -0.193 0.000 1.048 426 K CA 1.990 58.225 56.287 -0.087 0.000 0.930 426 K CB -0.516 31.821 32.500 -0.271 0.000 0.716 426 K HN 0.304 nan 8.250 nan 0.000 0.444 427 H N 0.217 119.287 119.070 -0.001 0.000 2.536 427 H HA 0.179 4.735 4.556 -0.000 0.000 0.276 427 H C 0.077 175.195 175.328 -0.350 0.000 1.019 427 H CA 0.226 56.172 56.048 -0.170 0.000 1.159 427 H CB -0.059 29.567 29.762 -0.227 0.000 1.373 427 H HN 0.300 nan 8.280 nan 0.000 0.584 428 H N 0.000 119.158 119.070 0.146 0.000 2.539 428 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 428 H CA 0.000 56.121 56.048 0.122 0.000 1.023 428 H CB 0.000 29.873 29.762 0.185 0.000 1.292 428 H HN 0.000 nan 8.280 nan 0.000 0.496