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 1c8g_1_A DATA FIRST_RESID 37 DATA SEQUENCE GVGISTGTFN NQTEFKFLEN GWVEITANSS RLVHLNMPES ENYKRVVVNN DATA SEQUENCE MDKTAVKGNM ALDDIHVEIV TPWSLVDANA WGVWFNPGDW QLIVNTMSEL DATA SEQUENCE HLVSFEQEIF NVVLKTVSES ATQPPTKVYN NDLTASLMVA LDSNNTMPFT DATA SEQUENCE PAAMRSETLG FYPWKPTIPT PWRYYFQWDR TLIPSHTGTS GTPTNVYHGT DATA SEQUENCE DPDDVQFYTI ENSVPVHLLR TGDEFATGTF FFDCKPCRLT HTWQTNRALG DATA SEQUENCE LPPFLNSLPQ SEGATNFGDI GVQQDKRRGV TQMGNTDYIT EATIMRPAEV DATA SEQUENCE GYSAPYYSFE ASTQGPFKTP IAAGRGGAQT DENQAADGDP RYAFGRQHGQ DATA SEQUENCE KTTTTGETPE RFTYIAHQDT GRYPEGDWIQ NINFNLPVTN DNVLLPTDPI DATA SEQUENCE GGKTGINYTN IFNTYGPLTA LNNVPPVYPN GQIWDKEFDT DLKPRLHINA DATA SEQUENCE PFVcQNNcPG QLFVKVAPNL TNQYDPDASA NMSRIVTYSD FWWKGKLVFK DATA SEQUENCE AKLRASHTWN PIQQMSINVD NQFNYVPNNI GAMKIVYEKS QLAPRKLY 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 37 G HA2 0.000 nan 3.960 nan 0.000 0.244 37 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 37 G C 0.000 174.926 174.900 0.043 0.000 0.946 37 G CA 0.000 45.122 45.100 0.037 0.000 0.502 38 V N -0.792 119.145 119.914 0.039 0.000 2.307 38 V HA 0.220 4.340 4.120 -0.001 0.000 0.245 38 V C 1.883 178.005 176.094 0.047 0.000 1.045 38 V CA 2.418 64.744 62.300 0.043 0.000 1.024 38 V CB -0.384 31.460 31.823 0.036 0.000 0.651 38 V HN 0.506 nan 8.190 nan 0.000 0.449 39 G N 0.424 109.248 108.800 0.040 0.000 3.496 39 G HA2 0.495 4.455 3.960 -0.001 0.000 0.273 39 G HA3 0.495 4.455 3.960 -0.001 0.000 0.273 39 G C 0.072 174.996 174.900 0.039 0.000 1.279 39 G CA -0.211 44.913 45.100 0.040 0.000 1.041 39 G HN 0.540 nan 8.290 nan 0.000 0.539 40 I N 0.441 121.038 120.570 0.046 0.000 2.512 40 I HA 0.193 4.363 4.170 -0.001 0.000 0.287 40 I C -0.110 176.041 176.117 0.057 0.000 1.069 40 I CA -0.614 60.712 61.300 0.042 0.000 1.056 40 I CB 2.235 40.255 38.000 0.034 0.000 1.229 40 I HN -0.111 nan 8.210 nan 0.000 0.429 41 S N 2.491 118.222 115.700 0.051 0.000 2.572 41 S HA 0.118 4.588 4.470 -0.001 0.000 0.279 41 S C 0.959 175.601 174.600 0.071 0.000 1.341 41 S CA -0.185 58.057 58.200 0.071 0.000 1.043 41 S CB 0.738 63.963 63.200 0.041 0.000 0.887 41 S HN 0.801 nan 8.310 nan 0.000 0.516 42 T N -1.277 113.355 114.554 0.130 0.000 3.182 42 T HA 0.559 4.908 4.350 -0.001 0.000 0.277 42 T C 0.399 175.103 174.700 0.006 0.000 1.013 42 T CA -0.036 62.126 62.100 0.103 0.000 0.900 42 T CB 0.182 69.152 68.868 0.170 0.000 1.098 42 T HN 0.777 nan 8.240 nan 0.000 0.543 43 G N -0.235 108.487 108.800 -0.130 0.000 2.495 43 G HA2 0.532 4.492 3.960 -0.001 0.000 0.294 43 G HA3 0.532 4.492 3.960 -0.001 0.000 0.294 43 G C -1.671 172.826 174.900 -0.672 0.000 1.397 43 G CA -0.606 44.023 45.100 -0.785 0.000 0.790 43 G HN 0.112 nan 8.290 nan 0.000 0.486 44 T N 0.153 114.214 114.554 -0.822 0.000 2.887 44 T HA 0.558 4.908 4.350 -0.001 0.000 0.288 44 T C -1.434 173.186 174.700 -0.133 0.000 1.021 44 T CA -0.238 61.672 62.100 -0.318 0.000 1.000 44 T CB 1.539 70.288 68.868 -0.198 0.000 1.034 44 T HN 0.499 nan 8.240 nan 0.000 0.467 45 F N 4.157 124.079 119.950 -0.047 0.000 2.411 45 F HA 0.648 5.175 4.527 -0.001 0.000 0.355 45 F C -0.041 175.804 175.800 0.076 0.000 1.117 45 F CA -0.763 57.299 58.000 0.103 0.000 1.139 45 F CB 0.479 39.514 39.000 0.058 0.000 1.120 45 F HN 0.381 nan 8.300 nan 0.000 0.493 46 N N 4.678 123.272 118.700 -0.176 0.000 2.397 46 N HA 0.255 4.994 4.740 -0.001 0.000 0.291 46 N C -1.650 173.771 175.510 -0.148 0.000 1.065 46 N CA -0.427 52.603 53.050 -0.033 0.000 0.884 46 N CB 1.125 39.604 38.487 -0.013 0.000 1.551 46 N HN 0.666 nan 8.380 nan 0.000 0.487 47 N N 2.515 121.239 118.700 0.040 0.000 2.588 47 N HA 0.161 4.900 4.740 -0.001 0.000 0.298 47 N C -1.214 174.400 175.510 0.173 0.000 1.718 47 N CA 0.025 53.123 53.050 0.079 0.000 0.888 47 N CB 0.695 39.288 38.487 0.178 0.000 1.389 47 N HN 0.613 nan 8.380 nan 0.000 0.491 48 Q N -0.112 119.780 119.800 0.153 0.000 2.266 48 Q HA 0.430 4.770 4.340 -0.001 0.000 0.261 48 Q C -0.583 175.520 176.000 0.171 0.000 0.985 48 Q CA -0.440 55.468 55.803 0.176 0.000 0.873 48 Q CB 2.004 30.837 28.738 0.159 0.000 1.306 48 Q HN -0.032 nan 8.270 nan 0.000 0.447 49 T N 2.341 117.025 114.554 0.217 0.000 2.771 49 T HA 0.310 4.660 4.350 -0.001 0.000 0.281 49 T C -0.815 174.028 174.700 0.239 0.000 0.982 49 T CA -0.631 61.603 62.100 0.223 0.000 0.978 49 T CB 0.694 69.772 68.868 0.351 0.000 0.930 49 T HN 0.431 nan 8.240 nan 0.000 0.447 50 E N 2.039 122.310 120.200 0.118 0.000 2.199 50 E HA 0.512 4.861 4.350 -0.001 0.000 0.269 50 E C -1.196 175.396 176.600 -0.014 0.000 0.899 50 E CA -0.665 55.820 56.400 0.142 0.000 0.772 50 E CB 1.495 31.250 29.700 0.091 0.000 1.155 50 E HN 0.390 nan 8.360 nan 0.000 0.408 51 F N 2.023 121.959 119.950 -0.023 0.000 2.444 51 F HA 0.338 4.865 4.527 -0.001 0.000 0.342 51 F C 0.247 175.834 175.800 -0.355 0.000 1.121 51 F CA -0.801 57.056 58.000 -0.238 0.000 0.997 51 F CB 1.534 40.338 39.000 -0.328 0.000 1.130 51 F HN 0.207 nan 8.300 nan 0.000 0.454 52 K N 5.099 125.343 120.400 -0.260 0.000 2.521 52 K HA 0.399 4.718 4.320 -0.001 0.000 0.248 52 K C -1.460 175.020 176.600 -0.200 0.000 0.978 52 K CA -0.492 55.709 56.287 -0.142 0.000 0.947 52 K CB 0.350 32.834 32.500 -0.027 0.000 1.165 52 K HN 0.414 nan 8.250 nan 0.000 0.445 53 F N 5.595 125.625 119.950 0.133 0.000 2.490 53 F HA 0.021 4.548 4.527 -0.001 0.000 0.357 53 F C 0.782 176.641 175.800 0.098 0.000 1.166 53 F CA -0.599 57.470 58.000 0.115 0.000 1.116 53 F CB -0.071 38.981 39.000 0.087 0.000 1.171 53 F HN 0.374 nan 8.300 nan 0.000 0.576 54 L N 1.482 122.829 121.223 0.207 0.000 2.584 54 L HA 0.194 4.534 4.340 -0.001 0.000 0.153 54 L C 0.712 177.687 176.870 0.175 0.000 1.336 54 L CA 0.231 55.169 54.840 0.165 0.000 2.295 54 L CB -0.269 41.875 42.059 0.142 0.000 2.581 54 L HN 0.298 nan 8.230 nan 0.000 0.640 55 E N 0.124 120.419 120.200 0.159 0.000 2.199 55 E HA 0.308 4.658 4.350 -0.001 0.000 0.269 55 E C -0.972 175.750 176.600 0.204 0.000 0.899 55 E CA -0.530 55.958 56.400 0.145 0.000 0.772 55 E CB 1.056 30.810 29.700 0.091 0.000 1.155 55 E HN 0.452 nan 8.360 nan 0.000 0.408 56 N N 1.134 119.942 118.700 0.180 0.000 2.806 56 N HA -0.139 4.601 4.740 -0.001 0.000 0.248 56 N C 0.366 176.021 175.510 0.241 0.000 1.081 56 N CA 0.812 53.988 53.050 0.210 0.000 0.680 56 N CB -1.471 37.166 38.487 0.250 0.000 0.941 56 N HN 0.825 nan 8.380 nan 0.000 0.554 57 G N -1.391 107.490 108.800 0.135 0.000 2.356 57 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.296 57 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.296 57 G C -0.392 174.433 174.900 -0.126 0.000 1.022 57 G CA 0.485 45.596 45.100 0.019 0.000 0.961 57 G HN 0.499 nan 8.290 nan 0.000 0.510 58 W N -0.796 120.557 121.300 0.090 0.000 2.619 58 W HA 0.582 5.241 4.660 -0.001 0.000 0.327 58 W C 0.217 176.774 176.519 0.063 0.000 1.027 58 W CA -0.765 56.616 57.345 0.060 0.000 1.233 58 W CB 1.761 31.230 29.460 0.015 0.000 1.370 58 W HN 0.591 nan 8.180 nan 0.000 0.453 59 V N 0.564 120.600 119.914 0.205 0.000 2.881 59 V HA 0.615 4.735 4.120 -0.001 0.000 0.316 59 V C -0.566 175.558 176.094 0.051 0.000 1.070 59 V CA -1.012 61.314 62.300 0.043 0.000 0.976 59 V CB 1.937 33.654 31.823 -0.177 0.000 1.038 59 V HN 0.571 nan 8.190 nan 0.000 0.446 60 E N 2.858 123.030 120.200 -0.047 0.000 2.129 60 E HA 0.519 4.868 4.350 -0.001 0.000 0.268 60 E C -1.187 175.341 176.600 -0.121 0.000 0.900 60 E CA -0.743 55.646 56.400 -0.019 0.000 0.755 60 E CB 1.450 31.148 29.700 -0.004 0.000 1.117 60 E HN 0.797 nan 8.360 nan 0.000 0.410 61 I N 4.102 124.614 120.570 -0.096 0.000 2.312 61 I HA 0.190 4.359 4.170 -0.001 0.000 0.290 61 I C -0.295 175.804 176.117 -0.030 0.000 1.008 61 I CA -0.401 60.745 61.300 -0.255 0.000 1.226 61 I CB 1.733 39.567 38.000 -0.276 0.000 1.371 61 I HN 0.416 nan 8.210 nan 0.000 0.468 62 T N 5.989 120.497 114.554 -0.077 0.000 2.788 62 T HA 0.551 4.901 4.350 -0.001 0.000 0.296 62 T C -0.032 174.702 174.700 0.056 0.000 1.009 62 T CA -0.504 61.604 62.100 0.014 0.000 0.949 62 T CB 1.171 70.043 68.868 0.006 0.000 0.946 62 T HN 0.644 nan 8.240 nan 0.000 0.453 63 A N 4.463 127.344 122.820 0.102 0.000 2.258 63 A HA 0.644 4.964 4.320 -0.001 0.000 0.316 63 A C -0.052 177.690 177.584 0.264 0.000 1.279 63 A CA -0.857 51.252 52.037 0.121 0.000 0.876 63 A CB 0.108 19.077 19.000 -0.051 0.000 1.170 63 A HN 0.820 nan 8.150 nan 0.000 0.520 64 N N 0.872 119.698 118.700 0.210 0.000 2.473 64 N HA 0.595 5.334 4.740 -0.001 0.000 0.291 64 N C -0.629 174.967 175.510 0.143 0.000 1.083 64 N CA -0.132 53.028 53.050 0.185 0.000 0.951 64 N CB 1.729 40.263 38.487 0.078 0.000 1.164 64 N HN 0.490 nan 8.380 nan 0.000 0.480 65 S N 0.767 116.485 115.700 0.031 0.000 2.614 65 S HA 0.606 5.076 4.470 -0.001 0.000 0.275 65 S C -1.498 172.979 174.600 -0.205 0.000 1.161 65 S CA -0.583 57.548 58.200 -0.115 0.000 0.969 65 S CB 0.541 63.538 63.200 -0.338 0.000 1.059 65 S HN 0.408 nan 8.310 nan 0.000 0.482 66 S N 2.867 118.430 115.700 -0.229 0.000 2.568 66 S HA 0.836 5.305 4.470 -0.001 0.000 0.293 66 S C -0.717 173.913 174.600 0.050 0.000 1.089 66 S CA -0.825 57.227 58.200 -0.246 0.000 0.945 66 S CB 1.882 64.556 63.200 -0.877 0.000 1.077 66 S HN 0.808 nan 8.310 nan 0.000 0.485 67 R N 0.513 121.207 120.500 0.322 0.000 2.663 67 R HA 0.512 4.851 4.340 -0.001 0.000 0.267 67 R C -2.210 174.138 176.300 0.079 0.000 1.038 67 R CA -0.714 55.552 56.100 0.277 0.000 0.886 67 R CB 1.038 31.456 30.300 0.196 0.000 1.249 67 R HN 0.495 nan 8.270 nan 0.000 0.463 68 L N 3.372 124.440 121.223 -0.258 0.000 2.257 68 L HA 0.547 4.886 4.340 -0.001 0.000 0.290 68 L C -1.335 175.214 176.870 -0.536 0.000 1.044 68 L CA -0.242 54.126 54.840 -0.787 0.000 0.810 68 L CB 1.593 43.009 42.059 -1.071 0.000 1.193 68 L HN 0.359 nan 8.230 nan 0.000 0.425 69 V N 5.153 124.653 119.914 -0.689 0.000 2.435 69 V HA 0.366 4.486 4.120 -0.001 0.000 0.290 69 V C -0.206 175.500 176.094 -0.646 0.000 1.030 69 V CA -0.675 61.203 62.300 -0.703 0.000 0.881 69 V CB 1.185 32.399 31.823 -1.014 0.000 0.983 69 V HN 0.757 nan 8.190 nan 0.000 0.445 70 H N 5.141 123.963 119.070 -0.413 0.000 2.459 70 H HA 0.671 5.227 4.556 -0.001 0.000 0.332 70 H C -1.680 173.578 175.328 -0.116 0.000 1.094 70 H CA -0.708 55.202 56.048 -0.230 0.000 1.224 70 H CB 1.905 31.562 29.762 -0.176 0.000 1.449 70 H HN 0.521 nan 8.280 nan 0.000 0.484 71 L N 5.205 126.159 121.223 -0.449 0.000 2.438 71 L HA 0.343 4.682 4.340 -0.001 0.000 0.270 71 L C -1.303 175.446 176.870 -0.202 0.000 0.972 71 L CA -0.402 54.322 54.840 -0.192 0.000 0.831 71 L CB 1.769 43.877 42.059 0.080 0.000 1.273 71 L HN 0.652 nan 8.230 nan 0.000 0.405 72 N N 3.726 122.356 118.700 -0.116 0.000 2.482 72 N HA 0.668 5.408 4.740 -0.001 0.000 0.279 72 N C -0.383 175.118 175.510 -0.015 0.000 1.182 72 N CA -0.707 52.323 53.050 -0.034 0.000 0.969 72 N CB 1.056 39.536 38.487 -0.010 0.000 1.201 72 N HN 0.689 nan 8.380 nan 0.000 0.523 73 M N 0.233 119.833 119.600 0.001 0.000 2.245 73 M HA 0.356 4.836 4.480 -0.001 0.000 0.330 73 M C -2.213 174.060 176.300 -0.044 0.000 1.098 73 M CA -1.369 53.910 55.300 -0.034 0.000 1.172 73 M CB -0.121 32.465 32.600 -0.024 0.000 1.467 73 M HN 0.258 nan 8.290 nan 0.000 0.454 74 P HA -0.009 nan 4.420 nan 0.000 0.266 74 P C -0.369 176.900 177.300 -0.053 0.000 1.195 74 P CA 0.108 63.163 63.100 -0.074 0.000 0.768 74 P CB 0.397 32.023 31.700 -0.123 0.000 0.838 75 E N 0.941 121.116 120.200 -0.043 0.000 2.265 75 E HA -0.053 4.297 4.350 -0.001 0.000 0.196 75 E C 0.467 177.045 176.600 -0.037 0.000 0.996 75 E CA 0.575 56.954 56.400 -0.034 0.000 0.832 75 E CB -0.114 29.566 29.700 -0.033 0.000 0.756 75 E HN 0.305 nan 8.360 nan 0.000 0.491 76 S N -0.881 114.789 115.700 -0.050 0.000 2.566 76 S HA 0.179 4.648 4.470 -0.001 0.000 0.273 76 S C -0.452 174.108 174.600 -0.067 0.000 1.157 76 S CA -0.822 57.350 58.200 -0.047 0.000 0.938 76 S CB 1.290 64.464 63.200 -0.044 0.000 1.087 76 S HN 0.120 nan 8.310 nan 0.000 0.474 77 E N 2.660 122.831 120.200 -0.049 0.000 2.463 77 E HA 0.143 4.492 4.350 -0.001 0.000 0.191 77 E C -0.298 176.283 176.600 -0.032 0.000 1.083 77 E CA 0.231 56.594 56.400 -0.062 0.000 0.872 77 E CB -0.140 29.541 29.700 -0.033 0.000 0.966 77 E HN 0.579 nan 8.360 nan 0.000 0.491 78 N N -0.403 118.283 118.700 -0.022 0.000 2.362 78 N HA 0.275 5.014 4.740 -0.001 0.000 0.299 78 N C -1.013 174.499 175.510 0.003 0.000 1.170 78 N CA -0.661 52.419 53.050 0.051 0.000 0.825 78 N CB 1.025 39.556 38.487 0.072 0.000 1.299 78 N HN -0.131 nan 8.380 nan 0.000 0.502 79 Y N 0.999 121.375 120.300 0.125 0.000 2.299 79 Y HA 0.302 4.852 4.550 -0.001 0.000 0.326 79 Y C 0.168 176.061 175.900 -0.013 0.000 1.164 79 Y CA 0.083 58.263 58.100 0.133 0.000 1.234 79 Y CB 0.860 39.526 38.460 0.345 0.000 1.219 79 Y HN 0.153 nan 8.280 nan 0.000 0.497 80 K N 2.285 122.707 120.400 0.037 0.000 2.426 80 K HA 0.486 4.805 4.320 -0.001 0.000 0.251 80 K C -0.985 175.496 176.600 -0.199 0.000 0.941 80 K CA -1.152 55.078 56.287 -0.095 0.000 0.808 80 K CB 2.595 35.034 32.500 -0.100 0.000 1.265 80 K HN 0.489 nan 8.250 nan 0.000 0.432 81 R N 2.547 122.878 120.500 -0.281 0.000 2.280 81 R HA 0.271 4.611 4.340 -0.001 0.000 0.326 81 R C -1.214 174.905 176.300 -0.301 0.000 1.080 81 R CA -0.381 55.484 56.100 -0.392 0.000 1.002 81 R CB 0.497 30.463 30.300 -0.558 0.000 1.136 81 R HN 0.344 nan 8.270 nan 0.000 0.509 82 V N 4.992 124.740 119.914 -0.277 0.000 2.483 82 V HA 0.357 4.477 4.120 -0.001 0.000 0.295 82 V C -0.068 175.829 176.094 -0.329 0.000 1.035 82 V CA -0.799 61.343 62.300 -0.262 0.000 0.896 82 V CB 1.824 33.511 31.823 -0.227 0.000 0.986 82 V HN 0.391 nan 8.190 nan 0.000 0.447 83 V N 5.144 124.850 119.914 -0.347 0.000 2.483 83 V HA 0.474 4.593 4.120 -0.001 0.000 0.295 83 V C -0.121 175.680 176.094 -0.488 0.000 1.035 83 V CA -0.535 61.478 62.300 -0.478 0.000 0.896 83 V CB 1.904 33.425 31.823 -0.502 0.000 0.986 83 V HN 0.610 nan 8.190 nan 0.000 0.447 84 V N 4.613 124.151 119.914 -0.626 0.000 2.459 84 V HA 0.481 4.600 4.120 -0.001 0.000 0.295 84 V C -0.176 175.675 176.094 -0.407 0.000 1.029 84 V CA -0.513 61.501 62.300 -0.476 0.000 0.874 84 V CB 1.587 33.093 31.823 -0.528 0.000 0.985 84 V HN 0.992 nan 8.190 nan 0.000 0.438 85 N N 3.288 121.823 118.700 -0.275 0.000 2.533 85 N HA 0.277 5.016 4.740 -0.001 0.000 0.289 85 N C -0.261 175.173 175.510 -0.126 0.000 1.103 85 N CA -0.450 52.471 53.050 -0.214 0.000 0.877 85 N CB 1.016 39.354 38.487 -0.248 0.000 1.419 85 N HN 0.717 nan 8.380 nan 0.000 0.517 86 N N 5.087 123.738 118.700 -0.082 0.000 2.458 86 N HA 0.073 4.812 4.740 -0.001 0.000 0.274 86 N C 0.637 176.123 175.510 -0.040 0.000 1.242 86 N CA -0.306 52.711 53.050 -0.055 0.000 0.904 86 N CB 0.119 38.583 38.487 -0.038 0.000 1.206 86 N HN 0.660 nan 8.380 nan 0.000 0.510 87 M N 0.547 120.122 119.600 -0.041 0.000 2.331 87 M HA -0.254 4.225 4.480 -0.001 0.000 0.260 87 M C 0.901 177.184 176.300 -0.028 0.000 1.072 87 M CA 2.160 57.443 55.300 -0.028 0.000 1.065 87 M CB -0.333 32.252 32.600 -0.025 0.000 1.392 87 M HN 0.310 nan 8.290 nan 0.000 0.427 88 D N -0.257 120.124 120.400 -0.032 0.000 2.149 88 D HA -0.202 4.437 4.640 -0.001 0.000 0.198 88 D C 1.882 178.166 176.300 -0.026 0.000 0.990 88 D CA 1.113 55.096 54.000 -0.029 0.000 0.839 88 D CB -0.233 40.549 40.800 -0.031 0.000 0.948 88 D HN 0.123 nan 8.370 nan 0.000 0.460 89 K N 0.038 120.422 120.400 -0.027 0.000 1.991 89 K HA -0.038 4.282 4.320 -0.001 0.000 0.207 89 K C 2.418 179.001 176.600 -0.028 0.000 1.045 89 K CA 1.855 58.127 56.287 -0.026 0.000 0.937 89 K CB -0.949 31.536 32.500 -0.025 0.000 0.720 89 K HN 0.472 nan 8.250 nan 0.000 0.438 90 T N -0.793 113.745 114.554 -0.027 0.000 3.051 90 T HA 0.045 4.395 4.350 -0.001 0.000 0.269 90 T C 1.855 176.537 174.700 -0.030 0.000 1.127 90 T CA 0.937 63.019 62.100 -0.030 0.000 1.107 90 T CB -0.068 68.787 68.868 -0.023 0.000 0.898 90 T HN 0.133 nan 8.240 nan 0.000 0.517 91 A N 1.110 123.914 122.820 -0.026 0.000 2.067 91 A HA 0.291 4.611 4.320 -0.001 0.000 0.219 91 A C 1.242 178.809 177.584 -0.028 0.000 1.158 91 A CA 0.234 52.256 52.037 -0.026 0.000 0.661 91 A CB -0.490 18.496 19.000 -0.023 0.000 0.801 91 A HN 0.443 nan 8.150 nan 0.000 0.452 92 V N 2.224 122.122 119.914 -0.028 0.000 2.405 92 V HA 0.050 4.170 4.120 -0.001 0.000 0.264 92 V C 0.169 176.245 176.094 -0.031 0.000 1.048 92 V CA -0.439 61.846 62.300 -0.026 0.000 0.966 92 V CB 0.287 32.097 31.823 -0.023 0.000 1.015 92 V HN 0.416 nan 8.190 nan 0.000 0.477 93 K N 4.020 124.400 120.400 -0.033 0.000 2.491 93 K HA 0.283 4.603 4.320 -0.001 0.000 0.279 93 K C 1.258 177.843 176.600 -0.025 0.000 1.026 93 K CA 0.939 57.201 56.287 -0.042 0.000 1.070 93 K CB 0.123 32.588 32.500 -0.059 0.000 0.887 93 K HN 1.065 nan 8.250 nan 0.000 0.481 94 G N 2.588 111.370 108.800 -0.031 0.000 2.179 94 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.220 94 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.220 94 G C 0.231 175.102 174.900 -0.049 0.000 0.990 94 G CA -0.338 44.752 45.100 -0.016 0.000 0.646 94 G HN 0.617 nan 8.290 nan 0.000 0.517 95 N N 0.125 118.789 118.700 -0.060 0.000 2.238 95 N HA 0.279 5.019 4.740 -0.001 0.000 0.222 95 N C 2.003 177.450 175.510 -0.105 0.000 1.133 95 N CA 0.419 53.424 53.050 -0.075 0.000 0.854 95 N CB -0.000 38.456 38.487 -0.051 0.000 1.041 95 N HN 0.425 nan 8.380 nan 0.000 0.510 96 M N 0.468 119.989 119.600 -0.132 0.000 2.116 96 M HA -0.168 4.312 4.480 -0.001 0.000 0.255 96 M C 1.990 178.167 176.300 -0.205 0.000 1.075 96 M CA 1.629 56.836 55.300 -0.154 0.000 1.087 96 M CB -0.729 31.760 32.600 -0.185 0.000 1.340 96 M HN 0.161 nan 8.290 nan 0.000 0.402 97 A N -0.303 122.319 122.820 -0.331 0.000 2.216 97 A HA 0.040 4.359 4.320 -0.001 0.000 0.214 97 A C 1.793 179.305 177.584 -0.119 0.000 1.160 97 A CA 0.894 52.719 52.037 -0.353 0.000 0.725 97 A CB -0.940 17.753 19.000 -0.513 0.000 0.784 97 A HN 0.528 nan 8.150 nan 0.000 0.472 98 L N -0.010 121.161 121.223 -0.087 0.000 2.728 98 L HA 0.137 4.477 4.340 -0.001 0.000 0.235 98 L C -0.094 176.769 176.870 -0.012 0.000 1.197 98 L CA -0.451 54.367 54.840 -0.038 0.000 0.992 98 L CB -0.353 41.682 42.059 -0.040 0.000 1.263 98 L HN 0.173 nan 8.230 nan 0.000 0.484 99 D N 0.343 120.743 120.400 0.000 0.000 2.383 99 D HA 0.002 4.641 4.640 -0.001 0.000 0.252 99 D C 0.432 176.772 176.300 0.066 0.000 1.166 99 D CA 0.499 54.520 54.000 0.036 0.000 0.879 99 D CB 0.925 41.759 40.800 0.057 0.000 1.164 99 D HN -0.009 nan 8.370 nan 0.000 0.462 100 D N 2.535 122.972 120.400 0.062 0.000 2.500 100 D HA 0.072 4.712 4.640 -0.001 0.000 0.218 100 D C 0.436 176.818 176.300 0.138 0.000 1.140 100 D CA -0.334 53.720 54.000 0.090 0.000 0.830 100 D CB 0.104 40.939 40.800 0.059 0.000 1.055 100 D HN 0.531 nan 8.370 nan 0.000 0.512 101 I N 2.501 123.111 120.570 0.066 0.000 2.668 101 I HA 0.088 4.257 4.170 -0.001 0.000 0.285 101 I C -0.351 175.689 176.117 -0.129 0.000 1.168 101 I CA 0.338 61.604 61.300 -0.057 0.000 1.424 101 I CB 0.150 38.101 38.000 -0.081 0.000 1.377 101 I HN 0.018 nan 8.210 nan 0.000 0.560 102 H N 5.203 123.892 119.070 -0.635 0.000 2.905 102 H HA 0.616 5.172 4.556 -0.001 0.000 0.280 102 H C -1.857 172.831 175.328 -1.067 0.000 1.445 102 H CA -0.905 54.319 56.048 -1.374 0.000 1.165 102 H CB 1.308 30.671 29.762 -0.664 0.000 1.857 102 H HN 0.413 nan 8.280 nan 0.000 0.567 103 V N 0.942 120.269 119.914 -0.978 0.000 2.709 103 V HA 0.390 4.510 4.120 -0.001 0.000 0.308 103 V C -0.477 175.652 176.094 0.059 0.000 1.062 103 V CA -0.690 61.391 62.300 -0.365 0.000 0.901 103 V CB 1.821 33.666 31.823 0.036 0.000 1.003 103 V HN 0.926 nan 8.190 nan 0.000 0.425 104 E N 4.287 124.445 120.200 -0.070 0.000 2.383 104 E HA 0.601 4.950 4.350 -0.001 0.000 0.275 104 E C -1.732 174.726 176.600 -0.237 0.000 0.918 104 E CA -0.981 55.384 56.400 -0.058 0.000 0.764 104 E CB 2.570 32.209 29.700 -0.102 0.000 1.252 104 E HN 0.365 nan 8.360 nan 0.000 0.449 105 I N 2.636 122.956 120.570 -0.417 0.000 2.304 105 I HA 0.179 4.349 4.170 -0.001 0.000 0.291 105 I C -0.305 175.546 176.117 -0.444 0.000 1.018 105 I CA -0.820 60.190 61.300 -0.484 0.000 1.260 105 I CB 1.304 38.889 38.000 -0.690 0.000 1.390 105 I HN 0.459 nan 8.210 nan 0.000 0.475 106 V N 6.685 126.457 119.914 -0.237 0.000 2.368 106 V HA 0.213 4.332 4.120 -0.001 0.000 0.266 106 V C 0.825 176.866 176.094 -0.089 0.000 1.045 106 V CA -0.406 61.792 62.300 -0.170 0.000 0.899 106 V CB 1.139 32.879 31.823 -0.138 0.000 1.006 106 V HN 0.882 nan 8.190 nan 0.000 0.470 107 T N 3.489 118.009 114.554 -0.058 0.000 2.934 107 T HA 0.477 4.827 4.350 -0.001 0.000 0.283 107 T C -1.660 172.985 174.700 -0.092 0.000 1.005 107 T CA -2.073 59.961 62.100 -0.110 0.000 1.041 107 T CB 2.030 71.072 68.868 0.290 0.000 1.042 107 T HN 0.489 nan 8.240 nan 0.000 0.505 108 P HA 0.214 nan 4.420 nan 0.000 0.255 108 P C -0.876 176.319 177.300 -0.176 0.000 1.301 108 P CA -0.260 62.722 63.100 -0.196 0.000 0.817 108 P CB -0.153 31.367 31.700 -0.300 0.000 1.259 109 W N 0.192 121.511 121.300 0.030 0.000 2.578 109 W HA 0.456 5.116 4.660 -0.001 0.000 0.353 109 W C 0.379 177.035 176.519 0.229 0.000 1.088 109 W CA -0.171 57.250 57.345 0.127 0.000 1.235 109 W CB 1.063 30.598 29.460 0.126 0.000 1.362 109 W HN -0.306 nan 8.180 nan 0.000 0.592 110 S N 1.431 117.416 115.700 0.475 0.000 2.568 110 S HA 0.651 5.120 4.470 -0.001 0.000 0.302 110 S C -1.506 173.321 174.600 0.379 0.000 1.082 110 S CA -0.709 57.711 58.200 0.366 0.000 1.009 110 S CB 1.439 64.767 63.200 0.213 0.000 1.069 110 S HN 0.346 nan 8.310 nan 0.000 0.500 111 L N 2.766 124.149 121.223 0.267 0.000 2.307 111 L HA 0.633 4.972 4.340 -0.001 0.000 0.284 111 L C -1.105 175.750 176.870 -0.025 0.000 1.023 111 L CA -0.380 54.489 54.840 0.049 0.000 0.810 111 L CB 1.420 43.528 42.059 0.082 0.000 1.231 111 L HN 0.439 nan 8.230 nan 0.000 0.423 112 V N 4.440 124.287 119.914 -0.112 0.000 2.270 112 V HA 0.272 4.392 4.120 -0.001 0.000 0.263 112 V C -0.503 175.480 176.094 -0.185 0.000 1.066 112 V CA -0.448 61.772 62.300 -0.132 0.000 0.857 112 V CB 0.617 32.393 31.823 -0.078 0.000 1.099 112 V HN 0.757 nan 8.190 nan 0.000 0.476 113 D N 3.645 123.932 120.400 -0.187 0.000 2.232 113 D HA 0.656 5.296 4.640 -0.001 0.000 0.242 113 D C 0.413 176.579 176.300 -0.222 0.000 1.093 113 D CA -0.102 53.796 54.000 -0.170 0.000 0.845 113 D CB 1.785 42.492 40.800 -0.156 0.000 1.124 113 D HN 0.557 nan 8.370 nan 0.000 0.467 114 A N 3.718 126.450 122.820 -0.148 0.000 2.616 114 A HA 0.155 4.474 4.320 -0.001 0.000 0.294 114 A C 0.338 177.914 177.584 -0.014 0.000 1.091 114 A CA -0.511 51.444 52.037 -0.137 0.000 0.971 114 A CB -0.133 18.815 19.000 -0.087 0.000 1.222 114 A HN 0.440 nan 8.150 nan 0.000 0.521 115 N N 1.888 120.444 118.700 -0.241 0.000 3.229 115 N HA 0.551 5.290 4.740 -0.001 0.000 0.275 115 N C -0.650 174.633 175.510 -0.378 0.000 1.225 115 N CA 0.624 53.342 53.050 -0.554 0.000 1.119 115 N CB 0.198 38.163 38.487 -0.870 0.000 1.392 115 N HN 0.507 nan 8.380 nan 0.000 0.520 116 A N 0.967 123.662 122.820 -0.209 0.000 2.566 116 A HA 0.300 4.620 4.320 -0.001 0.000 0.297 116 A C 0.087 177.609 177.584 -0.104 0.000 1.059 116 A CA -0.832 51.108 52.037 -0.162 0.000 0.691 116 A CB 0.054 19.053 19.000 -0.002 0.000 1.282 116 A HN 0.432 nan 8.150 nan 0.000 0.401 117 W N 1.700 122.976 121.300 -0.040 0.000 2.342 117 W HA -0.039 4.621 4.660 -0.001 0.000 0.297 117 W C 2.173 178.606 176.519 -0.143 0.000 1.213 117 W CA 1.934 59.314 57.345 0.058 0.000 1.251 117 W CB 0.031 29.435 29.460 -0.093 0.000 1.136 117 W HN 0.902 nan 8.180 nan 0.000 0.526 118 G N -0.079 108.320 108.800 -0.670 0.000 2.470 118 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.220 118 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.220 118 G C 1.325 175.658 174.900 -0.945 0.000 1.121 118 G CA 1.199 45.446 45.100 -1.422 0.000 0.766 118 G HN 0.192 nan 8.290 nan 0.000 0.553 119 V N -1.092 118.489 119.914 -0.555 0.000 2.809 119 V HA -0.054 4.066 4.120 -0.001 0.000 0.256 119 V C 2.031 177.795 176.094 -0.551 0.000 1.080 119 V CA 1.274 63.326 62.300 -0.414 0.000 1.102 119 V CB -0.475 31.059 31.823 -0.482 0.000 0.705 119 V HN 0.637 nan 8.190 nan 0.000 0.475 120 W N -2.127 119.146 121.300 -0.046 0.000 2.792 120 W HA 0.404 5.063 4.660 -0.001 0.000 0.262 120 W C 0.536 176.828 176.519 -0.378 0.000 1.212 120 W CA -0.465 56.757 57.345 -0.205 0.000 1.433 120 W CB 0.179 29.434 29.460 -0.342 0.000 1.004 120 W HN 0.006 nan 8.180 nan 0.000 0.608 121 F N 2.068 122.298 119.950 0.467 0.000 2.546 121 F HA 0.316 4.842 4.527 -0.001 0.000 0.320 121 F C 0.334 176.348 175.800 0.356 0.000 1.076 121 F CA -1.406 56.846 58.000 0.422 0.000 0.928 121 F CB 0.931 40.234 39.000 0.503 0.000 1.189 121 F HN -0.279 nan 8.300 nan 0.000 0.465 122 N N 1.442 120.427 118.700 0.476 0.000 2.485 122 N HA 0.474 5.214 4.740 -0.001 0.000 0.280 122 N C -2.534 173.149 175.510 0.287 0.000 1.205 122 N CA -2.383 50.896 53.050 0.383 0.000 0.959 122 N CB 0.372 39.061 38.487 0.336 0.000 1.206 122 N HN 0.105 nan 8.380 nan 0.000 0.545 123 P HA -0.118 nan 4.420 nan 0.000 0.217 123 P C 1.247 178.566 177.300 0.032 0.000 1.151 123 P CA 2.263 65.437 63.100 0.123 0.000 0.849 123 P CB -0.134 31.721 31.700 0.259 0.000 0.787 124 G N -0.749 108.099 108.800 0.080 0.000 2.422 124 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.218 124 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.218 124 G C 1.200 176.138 174.900 0.063 0.000 1.140 124 G CA 0.719 45.840 45.100 0.036 0.000 0.775 124 G HN 0.200 nan 8.290 nan 0.000 0.545 125 D N -0.561 119.947 120.400 0.180 0.000 2.162 125 D HA -0.075 4.565 4.640 -0.001 0.000 0.203 125 D C 1.881 178.238 176.300 0.095 0.000 0.967 125 D CA 0.208 54.369 54.000 0.267 0.000 0.840 125 D CB -0.288 40.854 40.800 0.570 0.000 0.972 125 D HN 0.470 nan 8.370 nan 0.000 0.482 126 W N 2.056 123.218 121.300 -0.231 0.000 2.381 126 W HA -0.166 4.494 4.660 -0.001 0.000 0.301 126 W C 2.177 178.495 176.519 -0.335 0.000 1.205 126 W CA 1.094 58.160 57.345 -0.465 0.000 1.285 126 W CB 0.018 28.963 29.460 -0.858 0.000 1.133 126 W HN 0.044 nan 8.180 nan 0.000 0.521 127 Q N 0.492 120.189 119.800 -0.171 0.000 2.096 127 Q HA -0.272 4.068 4.340 -0.001 0.000 0.204 127 Q C 2.354 178.201 176.000 -0.254 0.000 0.982 127 Q CA 1.903 57.579 55.803 -0.212 0.000 0.850 127 Q CB -0.521 28.125 28.738 -0.154 0.000 0.901 127 Q HN 0.288 nan 8.270 nan 0.000 0.422 128 L N 0.609 121.701 121.223 -0.218 0.000 2.017 128 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 128 L C 2.064 178.786 176.870 -0.246 0.000 1.073 128 L CA 1.583 56.286 54.840 -0.228 0.000 0.745 128 L CB -0.377 41.523 42.059 -0.265 0.000 0.894 128 L HN 0.309 nan 8.230 nan 0.000 0.432 129 I N -1.902 118.490 120.570 -0.297 0.000 2.163 129 I HA -0.256 3.914 4.170 -0.001 0.000 0.240 129 I C 2.397 178.222 176.117 -0.486 0.000 1.081 129 I CA 1.143 62.224 61.300 -0.365 0.000 1.353 129 I CB -0.418 37.208 38.000 -0.624 0.000 1.054 129 I HN 0.037 nan 8.210 nan 0.000 0.407 130 V N 1.276 120.772 119.914 -0.696 0.000 2.515 130 V HA -0.235 3.884 4.120 -0.001 0.000 0.250 130 V C 1.914 177.813 176.094 -0.325 0.000 1.058 130 V CA 1.897 63.840 62.300 -0.595 0.000 1.064 130 V CB -0.648 30.724 31.823 -0.751 0.000 0.675 130 V HN 0.431 nan 8.190 nan 0.000 0.461 131 N N -0.448 118.089 118.700 -0.273 0.000 2.395 131 N HA -0.051 4.688 4.740 -0.001 0.000 0.175 131 N C 1.765 177.180 175.510 -0.159 0.000 1.029 131 N CA 1.485 54.424 53.050 -0.186 0.000 0.897 131 N CB 0.059 38.446 38.487 -0.167 0.000 0.991 131 N HN 0.647 nan 8.380 nan 0.000 0.441 132 T N -3.082 111.373 114.554 -0.165 0.000 3.003 132 T HA 0.307 4.657 4.350 -0.001 0.000 0.261 132 T C 0.417 175.049 174.700 -0.114 0.000 1.003 132 T CA -0.209 61.815 62.100 -0.127 0.000 0.917 132 T CB 0.332 69.134 68.868 -0.110 0.000 1.084 132 T HN -0.228 nan 8.240 nan 0.000 0.522 133 M N 1.980 121.496 119.600 -0.140 0.000 2.598 133 M HA 0.531 5.010 4.480 -0.001 0.000 0.317 133 M C 1.122 177.340 176.300 -0.137 0.000 1.201 133 M CA -0.633 54.586 55.300 -0.134 0.000 0.971 133 M CB 1.514 34.032 32.600 -0.138 0.000 1.657 133 M HN 0.241 nan 8.290 nan 0.000 0.470 134 S N -0.882 114.741 115.700 -0.129 0.000 2.520 134 S HA 0.223 4.693 4.470 -0.001 0.000 0.219 134 S C 0.064 174.627 174.600 -0.063 0.000 1.028 134 S CA -0.209 57.935 58.200 -0.093 0.000 0.921 134 S CB 0.503 63.654 63.200 -0.082 0.000 0.844 134 S HN 0.787 nan 8.310 nan 0.000 0.495 135 E N -0.241 119.928 120.200 -0.053 0.000 2.401 135 E HA 0.625 4.975 4.350 -0.001 0.000 0.280 135 E C -2.119 174.554 176.600 0.123 0.000 1.039 135 E CA -1.089 55.328 56.400 0.028 0.000 0.814 135 E CB 0.750 30.499 29.700 0.081 0.000 1.275 135 E HN 0.101 nan 8.360 nan 0.000 0.448 136 L N 1.618 122.952 121.223 0.185 0.000 2.362 136 L HA 0.510 4.849 4.340 -0.001 0.000 0.271 136 L C -1.244 175.898 176.870 0.453 0.000 1.002 136 L CA -0.436 54.621 54.840 0.361 0.000 0.818 136 L CB 1.838 44.101 42.059 0.339 0.000 1.298 136 L HN 0.645 nan 8.230 nan 0.000 0.420 137 H N 3.974 123.323 119.070 0.465 0.000 2.589 137 H HA 0.397 4.953 4.556 -0.001 0.000 0.351 137 H C -1.269 174.132 175.328 0.123 0.000 1.074 137 H CA -0.950 55.294 56.048 0.327 0.000 1.203 137 H CB 2.627 32.545 29.762 0.260 0.000 1.558 137 H HN 0.322 nan 8.280 nan 0.000 0.522 138 L N 3.774 124.860 121.223 -0.228 0.000 2.276 138 L HA 0.130 4.470 4.340 -0.001 0.000 0.286 138 L C 0.095 176.753 176.870 -0.353 0.000 1.061 138 L CA 0.150 54.550 54.840 -0.733 0.000 0.807 138 L CB 0.986 42.146 42.059 -1.498 0.000 1.177 138 L HN 0.503 nan 8.230 nan 0.000 0.429 139 V N 2.273 122.019 119.914 -0.279 0.000 2.840 139 V HA 0.365 4.484 4.120 -0.001 0.000 0.234 139 V C 0.638 176.793 176.094 0.103 0.000 1.159 139 V CA 0.572 62.869 62.300 -0.006 0.000 1.194 139 V CB 0.463 32.288 31.823 0.005 0.000 0.971 139 V HN 0.786 nan 8.190 nan 0.000 0.494 140 S N -0.593 115.081 115.700 -0.043 0.000 2.704 140 S HA 0.822 5.292 4.470 -0.001 0.000 0.296 140 S C -1.569 173.028 174.600 -0.005 0.000 1.138 140 S CA -0.267 57.817 58.200 -0.192 0.000 0.875 140 S CB 2.778 65.730 63.200 -0.413 0.000 1.151 140 S HN 0.226 nan 8.310 nan 0.000 0.500 141 F N 1.948 121.718 119.950 -0.300 0.000 2.654 141 F HA 0.513 5.040 4.527 -0.001 0.000 0.314 141 F C -1.846 173.839 175.800 -0.192 0.000 1.116 141 F CA -0.750 57.121 58.000 -0.215 0.000 1.017 141 F CB 1.262 40.139 39.000 -0.205 0.000 1.285 141 F HN 0.809 nan 8.300 nan 0.000 0.448 142 E N 4.779 124.530 120.200 -0.748 0.000 2.363 142 E HA 0.535 4.885 4.350 -0.001 0.000 0.281 142 E C -2.112 174.133 176.600 -0.592 0.000 0.953 142 E CA -0.981 55.018 56.400 -0.669 0.000 0.778 142 E CB 2.739 32.211 29.700 -0.381 0.000 1.220 142 E HN 0.696 nan 8.360 nan 0.000 0.431 143 Q N 0.829 120.355 119.800 -0.457 0.000 2.633 143 Q HA 0.629 4.969 4.340 -0.001 0.000 0.292 143 Q C -1.108 174.772 176.000 -0.199 0.000 1.089 143 Q CA -1.083 54.557 55.803 -0.270 0.000 0.811 143 Q CB 2.632 31.397 28.738 0.046 0.000 1.472 143 Q HN 0.638 nan 8.270 nan 0.000 0.464 144 E N 0.400 120.522 120.200 -0.130 0.000 2.388 144 E HA 0.407 4.756 4.350 -0.001 0.000 0.282 144 E C -1.847 174.900 176.600 0.245 0.000 1.026 144 E CA -0.346 56.066 56.400 0.020 0.000 0.820 144 E CB 1.741 31.415 29.700 -0.042 0.000 1.226 144 E HN 0.528 nan 8.360 nan 0.000 0.432 145 I N 5.066 125.855 120.570 0.365 0.000 2.439 145 I HA 0.442 4.612 4.170 -0.001 0.000 0.285 145 I C -0.853 175.523 176.117 0.431 0.000 1.021 145 I CA -0.686 60.852 61.300 0.397 0.000 1.091 145 I CB 0.723 38.884 38.000 0.267 0.000 1.242 145 I HN 0.401 nan 8.210 nan 0.000 0.439 146 F N 3.254 123.373 119.950 0.281 0.000 2.706 146 F HA 0.517 5.044 4.527 -0.001 0.000 0.328 146 F C 0.429 176.423 175.800 0.323 0.000 1.123 146 F CA -1.569 56.566 58.000 0.225 0.000 0.978 146 F CB 0.494 39.570 39.000 0.127 0.000 1.404 146 F HN 0.425 nan 8.300 nan 0.000 0.497 147 N N 0.291 119.207 118.700 0.361 0.000 2.699 147 N HA -0.153 4.586 4.740 -0.001 0.000 0.256 147 N C -0.827 174.867 175.510 0.308 0.000 0.993 147 N CA 0.363 53.586 53.050 0.288 0.000 0.759 147 N CB -0.567 38.056 38.487 0.226 0.000 0.906 147 N HN 0.385 nan 8.380 nan 0.000 0.541 148 V N 1.064 121.124 119.914 0.243 0.000 2.715 148 V HA 0.256 4.375 4.120 -0.001 0.000 0.299 148 V C 0.828 177.020 176.094 0.163 0.000 1.054 148 V CA 0.123 62.554 62.300 0.217 0.000 1.077 148 V CB 1.833 33.739 31.823 0.138 0.000 0.972 148 V HN 0.051 nan 8.190 nan 0.000 0.484 149 V N 5.556 125.554 119.914 0.139 0.000 2.888 149 V HA 0.535 4.654 4.120 -0.001 0.000 0.309 149 V C -0.847 175.245 176.094 -0.002 0.000 1.114 149 V CA -0.563 61.778 62.300 0.068 0.000 0.940 149 V CB 2.109 33.977 31.823 0.074 0.000 1.021 149 V HN 0.651 nan 8.190 nan 0.000 0.426 150 L N 4.768 125.956 121.223 -0.059 0.000 2.404 150 L HA 0.585 4.924 4.340 -0.001 0.000 0.272 150 L C -0.179 176.561 176.870 -0.218 0.000 0.980 150 L CA -0.183 54.573 54.840 -0.140 0.000 0.836 150 L CB 1.756 43.766 42.059 -0.081 0.000 1.238 150 L HN 0.524 nan 8.230 nan 0.000 0.408 151 K N 1.019 121.140 120.400 -0.465 0.000 2.245 151 K HA 0.809 5.128 4.320 -0.001 0.000 0.234 151 K C -0.677 175.731 176.600 -0.319 0.000 1.021 151 K CA -0.877 55.153 56.287 -0.428 0.000 0.898 151 K CB 2.148 34.305 32.500 -0.573 0.000 1.163 151 K HN 0.340 nan 8.250 nan 0.000 0.459 152 T N 0.592 115.102 114.554 -0.074 0.000 2.900 152 T HA 0.377 4.726 4.350 -0.001 0.000 0.295 152 T C -1.307 173.487 174.700 0.156 0.000 1.044 152 T CA -0.627 61.500 62.100 0.044 0.000 0.995 152 T CB 1.514 70.389 68.868 0.012 0.000 1.072 152 T HN 0.164 nan 8.240 nan 0.000 0.473 153 V N 3.715 123.727 119.914 0.163 0.000 2.384 153 V HA 0.558 4.677 4.120 -0.001 0.000 0.287 153 V C 0.023 176.093 176.094 -0.040 0.000 1.020 153 V CA -0.839 61.499 62.300 0.063 0.000 0.850 153 V CB 1.428 33.330 31.823 0.131 0.000 0.987 153 V HN 1.018 nan 8.190 nan 0.000 0.436 154 S N 2.434 118.061 115.700 -0.123 0.000 2.449 154 S HA 0.509 4.979 4.470 -0.001 0.000 0.310 154 S C -0.362 174.162 174.600 -0.127 0.000 1.096 154 S CA -0.774 57.371 58.200 -0.093 0.000 1.095 154 S CB 1.712 64.870 63.200 -0.070 0.000 1.007 154 S HN 0.693 nan 8.310 nan 0.000 0.474 155 E N 2.301 122.452 120.200 -0.082 0.000 1.795 155 E HA 0.100 4.450 4.350 -0.001 0.000 0.261 155 E C 0.500 177.061 176.600 -0.065 0.000 1.238 155 E CA 0.039 56.394 56.400 -0.074 0.000 1.001 155 E CB -0.167 29.506 29.700 -0.045 0.000 1.065 155 E HN 0.644 nan 8.360 nan 0.000 0.418 156 S N 3.648 119.300 115.700 -0.081 0.000 3.048 156 S HA 0.055 4.525 4.470 -0.001 0.000 0.254 156 S C 0.890 175.467 174.600 -0.039 0.000 1.084 156 S CA 0.256 58.422 58.200 -0.056 0.000 1.195 156 S CB -0.886 62.279 63.200 -0.059 0.000 0.870 156 S HN 0.564 nan 8.310 nan 0.000 0.483 157 A N 1.894 124.693 122.820 -0.036 0.000 2.461 157 A HA 0.059 4.378 4.320 -0.001 0.000 0.227 157 A C 0.915 178.488 177.584 -0.019 0.000 1.824 157 A CA 0.740 52.761 52.037 -0.026 0.000 1.828 157 A CB -1.272 17.714 19.000 -0.023 0.000 0.679 157 A HN 0.534 nan 8.150 nan 0.000 0.668 158 T N 0.160 114.704 114.554 -0.018 0.000 2.749 158 T HA 0.441 4.790 4.350 -0.001 0.000 0.287 158 T C 1.135 175.829 174.700 -0.010 0.000 0.970 158 T CA 0.182 62.275 62.100 -0.012 0.000 0.980 158 T CB 0.294 69.155 68.868 -0.011 0.000 0.924 158 T HN 0.712 nan 8.240 nan 0.000 0.456 159 Q N 3.202 122.997 119.800 -0.008 0.000 2.280 159 Q HA -0.243 4.097 4.340 -0.001 0.000 0.375 159 Q C -1.272 174.724 176.000 -0.007 0.000 1.768 159 Q CA 2.082 57.882 55.803 -0.006 0.000 0.872 159 Q CB -2.954 25.781 28.738 -0.005 0.000 1.534 159 Q HN 0.632 nan 8.270 nan 0.000 0.866 160 P HA -0.109 nan 4.420 nan 0.000 0.222 160 P C -0.993 176.303 177.300 -0.006 0.000 1.155 160 P CA 2.944 66.041 63.100 -0.004 0.000 0.890 160 P CB -1.191 30.508 31.700 -0.002 0.000 0.790 161 P HA 0.220 nan 4.420 nan 0.000 0.341 161 P C -0.120 177.171 177.300 -0.015 0.000 1.349 161 P CA 0.174 63.267 63.100 -0.012 0.000 0.830 161 P CB 0.559 32.251 31.700 -0.014 0.000 1.986 162 T N -2.271 112.269 114.554 -0.024 0.000 2.742 162 T HA 0.593 4.943 4.350 -0.001 0.000 0.282 162 T C -0.567 174.094 174.700 -0.065 0.000 1.025 162 T CA -0.738 61.342 62.100 -0.033 0.000 1.020 162 T CB 1.562 70.414 68.868 -0.027 0.000 1.317 162 T HN 0.227 nan 8.240 nan 0.000 0.538 163 K N 0.526 120.867 120.400 -0.098 0.000 2.464 163 K HA 0.728 5.048 4.320 -0.001 0.000 0.253 163 K C -1.737 174.667 176.600 -0.326 0.000 0.933 163 K CA -0.750 55.403 56.287 -0.224 0.000 0.801 163 K CB 2.445 34.796 32.500 -0.248 0.000 1.271 163 K HN 0.422 nan 8.250 nan 0.000 0.430 164 V N 2.372 122.023 119.914 -0.437 0.000 2.789 164 V HA 0.480 4.600 4.120 -0.001 0.000 0.311 164 V C -1.410 174.388 176.094 -0.495 0.000 1.073 164 V CA -1.056 61.036 62.300 -0.346 0.000 0.921 164 V CB 1.399 33.139 31.823 -0.137 0.000 1.009 164 V HN 0.635 nan 8.190 nan 0.000 0.426 165 Y N 2.067 122.408 120.300 0.070 0.000 2.364 165 Y HA 0.691 5.240 4.550 -0.001 0.000 0.340 165 Y C 0.078 176.010 175.900 0.052 0.000 0.975 165 Y CA -0.599 57.558 58.100 0.095 0.000 1.089 165 Y CB 1.996 40.543 38.460 0.145 0.000 1.192 165 Y HN 0.720 nan 8.280 nan 0.000 0.454 166 N N 1.204 119.994 118.700 0.151 0.000 2.277 166 N HA 0.294 5.034 4.740 -0.001 0.000 0.286 166 N C -1.636 173.893 175.510 0.031 0.000 1.140 166 N CA -1.130 51.966 53.050 0.077 0.000 0.799 166 N CB 1.052 39.563 38.487 0.040 0.000 1.596 166 N HN 0.465 nan 8.380 nan 0.000 0.473 167 N N 0.588 119.299 118.700 0.020 0.000 2.518 167 N HA 0.029 4.769 4.740 -0.001 0.000 0.266 167 N C -1.035 174.468 175.510 -0.013 0.000 1.196 167 N CA 0.428 53.474 53.050 -0.008 0.000 0.947 167 N CB 0.619 39.111 38.487 0.009 0.000 1.098 167 N HN 0.545 nan 8.380 nan 0.000 0.450 168 D N 3.135 123.516 120.400 -0.031 0.000 2.460 168 D HA 0.168 4.807 4.640 -0.001 0.000 0.268 168 D C 1.294 177.585 176.300 -0.017 0.000 1.153 168 D CA -0.367 53.619 54.000 -0.024 0.000 0.929 168 D CB 0.272 41.049 40.800 -0.038 0.000 1.015 168 D HN 0.405 nan 8.370 nan 0.000 0.502 169 L N 1.346 122.567 121.223 -0.004 0.000 2.189 169 L HA -0.191 4.149 4.340 -0.001 0.000 0.214 169 L C 2.158 179.031 176.870 0.005 0.000 1.097 169 L CA 1.613 56.456 54.840 0.005 0.000 0.764 169 L CB -0.480 41.586 42.059 0.011 0.000 0.900 169 L HN 0.385 nan 8.230 nan 0.000 0.436 170 T N -3.537 111.016 114.554 -0.001 0.000 3.086 170 T HA 0.420 4.769 4.350 -0.001 0.000 0.250 170 T C 0.742 175.436 174.700 -0.009 0.000 1.074 170 T CA 0.114 62.213 62.100 -0.002 0.000 0.988 170 T CB 0.035 68.902 68.868 -0.003 0.000 0.988 170 T HN 0.197 nan 8.240 nan 0.000 0.530 171 A N 1.297 124.108 122.820 -0.016 0.000 2.346 171 A HA 0.652 4.971 4.320 -0.001 0.000 0.252 171 A C 0.298 177.869 177.584 -0.021 0.000 1.089 171 A CA -0.497 51.524 52.037 -0.026 0.000 0.797 171 A CB 0.339 19.316 19.000 -0.038 0.000 1.047 171 A HN 0.427 nan 8.150 nan 0.000 0.494 172 S N -0.692 114.990 115.700 -0.031 0.000 2.568 172 S HA 0.587 5.057 4.470 -0.001 0.000 0.293 172 S C -1.065 173.508 174.600 -0.046 0.000 1.089 172 S CA -0.462 57.722 58.200 -0.027 0.000 0.945 172 S CB 1.479 64.665 63.200 -0.023 0.000 1.077 172 S HN 0.790 nan 8.310 nan 0.000 0.485 173 L N 2.960 124.155 121.223 -0.046 0.000 2.313 173 L HA 0.599 4.939 4.340 -0.001 0.000 0.283 173 L C -0.874 175.949 176.870 -0.079 0.000 1.013 173 L CA -0.285 54.506 54.840 -0.082 0.000 0.816 173 L CB 0.846 42.839 42.059 -0.110 0.000 1.236 173 L HN 0.666 nan 8.230 nan 0.000 0.419 174 M N 5.483 125.029 119.600 -0.091 0.000 2.188 174 M HA 0.470 4.950 4.480 -0.001 0.000 0.357 174 M C -0.968 175.370 176.300 0.063 0.000 1.204 174 M CA -0.599 54.697 55.300 -0.006 0.000 1.095 174 M CB 1.496 34.068 32.600 -0.047 0.000 1.604 174 M HN 0.334 nan 8.290 nan 0.000 0.464 175 V N 2.551 122.490 119.914 0.042 0.000 2.531 175 V HA 0.803 4.922 4.120 -0.001 0.000 0.301 175 V C -0.496 175.516 176.094 -0.137 0.000 1.034 175 V CA -0.758 61.467 62.300 -0.126 0.000 0.865 175 V CB 1.762 33.272 31.823 -0.522 0.000 0.995 175 V HN 0.948 nan 8.190 nan 0.000 0.424 176 A N 5.440 128.195 122.820 -0.108 0.000 2.359 176 A HA 0.805 5.125 4.320 -0.001 0.000 0.303 176 A C -1.188 176.326 177.584 -0.116 0.000 1.066 176 A CA -0.460 51.495 52.037 -0.137 0.000 0.730 176 A CB 1.467 20.307 19.000 -0.267 0.000 1.211 176 A HN 0.774 nan 8.150 nan 0.000 0.439 177 L N 3.009 124.185 121.223 -0.078 0.000 2.294 177 L HA 0.392 4.732 4.340 -0.001 0.000 0.283 177 L C -0.806 176.077 176.870 0.022 0.000 1.015 177 L CA -0.303 54.536 54.840 -0.001 0.000 0.831 177 L CB 1.234 43.395 42.059 0.170 0.000 1.217 177 L HN 0.875 nan 8.230 nan 0.000 0.420 178 D N 2.347 122.757 120.400 0.016 0.000 2.608 178 D HA 0.071 4.710 4.640 -0.001 0.000 0.224 178 D C 1.132 177.444 176.300 0.020 0.000 1.123 178 D CA 0.160 54.178 54.000 0.029 0.000 1.030 178 D CB 0.682 41.537 40.800 0.091 0.000 1.093 178 D HN 0.496 nan 8.370 nan 0.000 0.497 179 S N 1.688 117.402 115.700 0.024 0.000 2.383 179 S HA -0.174 4.295 4.470 -0.001 0.000 0.229 179 S C 1.277 175.895 174.600 0.029 0.000 1.030 179 S CA 0.946 59.162 58.200 0.027 0.000 1.002 179 S CB -0.223 62.999 63.200 0.036 0.000 0.829 179 S HN 0.633 nan 8.310 nan 0.000 0.467 180 N N 1.368 120.082 118.700 0.023 0.000 2.314 180 N HA 0.142 4.881 4.740 -0.001 0.000 0.200 180 N C -0.699 174.821 175.510 0.017 0.000 1.135 180 N CA -0.208 52.855 53.050 0.022 0.000 0.835 180 N CB 0.006 38.502 38.487 0.016 0.000 0.989 180 N HN 0.193 nan 8.380 nan 0.000 0.478 181 N N 0.740 119.452 118.700 0.020 0.000 2.705 181 N HA -0.152 4.587 4.740 -0.001 0.000 0.255 181 N C 0.173 175.679 175.510 -0.007 0.000 1.008 181 N CA 0.671 53.738 53.050 0.029 0.000 0.742 181 N CB -0.925 37.583 38.487 0.035 0.000 0.906 181 N HN 0.322 nan 8.380 nan 0.000 0.541 182 T N -0.647 113.880 114.554 -0.044 0.000 2.896 182 T HA 0.028 4.377 4.350 -0.001 0.000 0.263 182 T C 1.246 175.782 174.700 -0.275 0.000 1.050 182 T CA 0.600 62.642 62.100 -0.096 0.000 1.140 182 T CB 0.186 69.007 68.868 -0.078 0.000 0.877 182 T HN 0.200 nan 8.240 nan 0.000 0.457 183 M N 1.179 120.623 119.600 -0.259 0.000 2.228 183 M HA 0.306 4.786 4.480 -0.001 0.000 0.326 183 M C -2.412 173.776 176.300 -0.186 0.000 1.122 183 M CA -2.558 52.517 55.300 -0.375 0.000 1.161 183 M CB 0.322 32.781 32.600 -0.234 0.000 1.437 183 M HN -0.190 nan 8.290 nan 0.000 0.465 184 P HA 0.020 nan 4.420 nan 0.000 0.268 184 P C -1.166 176.334 177.300 0.332 0.000 1.204 184 P CA -0.025 63.124 63.100 0.082 0.000 0.768 184 P CB 0.113 31.852 31.700 0.066 0.000 0.842 185 F N 3.792 123.841 119.950 0.166 0.000 2.466 185 F HA 0.235 4.761 4.527 -0.001 0.000 0.363 185 F C 0.457 176.401 175.800 0.239 0.000 1.109 185 F CA 0.114 58.232 58.000 0.196 0.000 1.161 185 F CB -0.005 39.095 39.000 0.166 0.000 1.117 185 F HN 0.152 nan 8.300 nan 0.000 0.539 186 T N 5.459 119.944 114.554 -0.114 0.000 3.331 186 T HA 0.375 4.725 4.350 -0.001 0.000 0.381 186 T C -2.807 171.757 174.700 -0.226 0.000 1.656 186 T CA -1.969 60.111 62.100 -0.032 0.000 1.453 186 T CB 0.286 69.318 68.868 0.273 0.000 1.066 186 T HN 0.353 nan 8.240 nan 0.000 0.655 187 P HA 0.261 nan 4.420 nan 0.000 0.266 187 P C 0.977 178.182 177.300 -0.159 0.000 1.215 187 P CA -0.249 62.646 63.100 -0.341 0.000 0.763 187 P CB 1.075 32.605 31.700 -0.284 0.000 0.806 188 A N 4.492 127.226 122.820 -0.145 0.000 2.067 188 A HA -0.027 4.292 4.320 -0.001 0.000 0.219 188 A C 2.187 179.705 177.584 -0.110 0.000 1.158 188 A CA 1.494 53.471 52.037 -0.100 0.000 0.661 188 A CB -1.069 17.875 19.000 -0.094 0.000 0.801 188 A HN 0.552 nan 8.150 nan 0.000 0.452 189 A N -0.373 122.373 122.820 -0.123 0.000 2.024 189 A HA -0.181 4.138 4.320 -0.001 0.000 0.220 189 A C 2.125 179.682 177.584 -0.045 0.000 1.164 189 A CA 1.715 53.697 52.037 -0.093 0.000 0.643 189 A CB -0.583 18.372 19.000 -0.074 0.000 0.806 189 A HN 0.632 nan 8.150 nan 0.000 0.451 190 M N -0.793 118.781 119.600 -0.043 0.000 2.358 190 M HA -0.106 4.373 4.480 -0.001 0.000 0.264 190 M C 0.878 177.152 176.300 -0.044 0.000 1.064 190 M CA 1.490 56.771 55.300 -0.033 0.000 1.093 190 M CB -0.054 32.540 32.600 -0.011 0.000 1.401 190 M HN 0.362 nan 8.290 nan 0.000 0.440 191 R N -0.793 119.678 120.500 -0.047 0.000 2.629 191 R HA 0.167 4.506 4.340 -0.001 0.000 0.408 191 R C 0.443 176.717 176.300 -0.043 0.000 1.057 191 R CA 0.205 56.280 56.100 -0.042 0.000 1.119 191 R CB 0.423 30.699 30.300 -0.039 0.000 1.403 191 R HN 0.345 nan 8.270 nan 0.000 0.576 192 S N 1.673 117.330 115.700 -0.071 0.000 3.608 192 S HA -0.173 4.297 4.470 -0.001 0.000 0.382 192 S C 0.170 174.662 174.600 -0.180 0.000 0.945 192 S CA 0.892 59.001 58.200 -0.152 0.000 1.256 192 S CB -0.872 62.325 63.200 -0.005 0.000 0.913 192 S HN 0.622 nan 8.310 nan 0.000 0.518 193 E N 0.663 120.755 120.200 -0.181 0.000 2.968 193 E HA 0.111 4.460 4.350 -0.001 0.000 0.202 193 E C 0.680 177.222 176.600 -0.095 0.000 0.979 193 E CA 0.288 56.642 56.400 -0.077 0.000 1.192 193 E CB 0.840 30.521 29.700 -0.031 0.000 1.059 193 E HN 0.797 nan 8.360 nan 0.000 0.470 194 T N -1.601 112.830 114.554 -0.205 0.000 2.771 194 T HA 0.305 4.655 4.350 -0.001 0.000 0.290 194 T C 0.547 175.225 174.700 -0.036 0.000 1.005 194 T CA -0.829 61.188 62.100 -0.139 0.000 0.944 194 T CB 0.929 69.712 68.868 -0.141 0.000 1.147 194 T HN -0.155 nan 8.240 nan 0.000 0.534 195 L N 1.265 122.418 121.223 -0.116 0.000 2.479 195 L HA 0.422 4.762 4.340 -0.001 0.000 0.270 195 L C 1.476 178.342 176.870 -0.006 0.000 1.236 195 L CA 0.658 55.409 54.840 -0.149 0.000 0.823 195 L CB -0.551 41.286 42.059 -0.370 0.000 1.098 195 L HN 1.059 nan 8.230 nan 0.000 0.500 196 G N 0.701 109.443 108.800 -0.097 0.000 2.684 196 G HA2 0.155 4.115 3.960 -0.001 0.000 0.255 196 G HA3 0.155 4.115 3.960 -0.001 0.000 0.255 196 G C 0.138 175.069 174.900 0.052 0.000 1.219 196 G CA -0.303 44.687 45.100 -0.184 0.000 0.901 196 G HN 0.472 nan 8.290 nan 0.000 0.548 197 F N -1.171 118.605 119.950 -0.291 0.000 2.678 197 F HA 0.331 4.858 4.527 -0.001 0.000 0.305 197 F C -0.174 175.241 175.800 -0.642 0.000 1.090 197 F CA -1.125 56.608 58.000 -0.446 0.000 1.272 197 F CB -0.441 38.239 39.000 -0.534 0.000 1.060 197 F HN 0.180 nan 8.300 nan 0.000 0.576 198 Y N 0.579 120.776 120.300 -0.172 0.000 2.328 198 Y HA 0.382 4.932 4.550 -0.001 0.000 0.337 198 Y C -1.594 174.028 175.900 -0.464 0.000 0.966 198 Y CA -2.770 54.989 58.100 -0.567 0.000 1.136 198 Y CB 0.795 38.688 38.460 -0.946 0.000 1.170 198 Y HN -0.187 nan 8.280 nan 0.000 0.470 199 P HA -0.171 nan 4.420 nan 0.000 0.218 199 P C 0.327 177.873 177.300 0.410 0.000 1.146 199 P CA 1.590 64.853 63.100 0.271 0.000 0.813 199 P CB -0.022 31.990 31.700 0.521 0.000 0.778 200 W N -1.056 120.420 121.300 0.293 0.000 3.067 200 W HA 0.456 5.115 4.660 -0.001 0.000 0.417 200 W C -0.083 176.506 176.519 0.118 0.000 1.029 200 W CA -0.736 56.724 57.345 0.191 0.000 1.992 200 W CB -0.281 29.260 29.460 0.135 0.000 1.122 200 W HN -0.259 nan 8.180 nan 0.000 0.681 201 K N 2.155 122.506 120.400 -0.082 0.000 2.463 201 K HA 0.386 4.705 4.320 -0.001 0.000 0.255 201 K C -2.658 173.895 176.600 -0.078 0.000 0.942 201 K CA -1.982 54.248 56.287 -0.096 0.000 0.814 201 K CB 1.677 34.057 32.500 -0.199 0.000 1.122 201 K HN -0.274 nan 8.250 nan 0.000 0.425 202 P HA 0.012 nan 4.420 nan 0.000 0.266 202 P C -0.665 176.540 177.300 -0.158 0.000 1.195 202 P CA -0.127 62.880 63.100 -0.155 0.000 0.768 202 P CB 1.185 32.778 31.700 -0.179 0.000 0.838 203 T N 1.641 116.090 114.554 -0.175 0.000 2.768 203 T HA 0.832 5.182 4.350 -0.001 0.000 0.268 203 T C -0.591 174.014 174.700 -0.158 0.000 0.969 203 T CA -0.785 61.215 62.100 -0.166 0.000 1.008 203 T CB 0.362 69.131 68.868 -0.165 0.000 1.371 203 T HN 0.377 nan 8.240 nan 0.000 0.587 204 I N -0.744 119.745 120.570 -0.135 0.000 3.093 204 I HA 0.719 4.889 4.170 -0.001 0.000 0.308 204 I C -3.057 173.014 176.117 -0.076 0.000 1.303 204 I CA -2.588 58.657 61.300 -0.092 0.000 0.975 204 I CB 2.475 40.456 38.000 -0.033 0.000 1.286 204 I HN 0.420 nan 8.210 nan 0.000 0.459 205 P HA 0.387 nan 4.420 nan 0.000 0.284 205 P C -0.986 176.334 177.300 0.033 0.000 1.287 205 P CA -0.258 62.843 63.100 0.002 0.000 0.824 205 P CB 1.695 33.438 31.700 0.071 0.000 1.180 206 T N -3.082 111.506 114.554 0.058 0.000 2.855 206 T HA 0.486 4.836 4.350 -0.001 0.000 0.281 206 T C -2.729 172.061 174.700 0.149 0.000 1.007 206 T CA -2.655 59.493 62.100 0.080 0.000 1.009 206 T CB 0.465 69.370 68.868 0.062 0.000 0.983 206 T HN 0.142 nan 8.240 nan 0.000 0.455 207 P HA 0.057 nan 4.420 nan 0.000 0.261 207 P C -1.009 176.438 177.300 0.245 0.000 1.183 207 P CA -0.254 62.942 63.100 0.159 0.000 0.761 207 P CB 0.247 31.989 31.700 0.071 0.000 0.785 208 W N 6.686 128.075 121.300 0.148 0.000 2.316 208 W HA 0.382 5.042 4.660 -0.001 0.000 0.321 208 W C 0.102 176.704 176.519 0.139 0.000 1.203 208 W CA 0.129 57.588 57.345 0.189 0.000 1.214 208 W CB 0.646 30.302 29.460 0.328 0.000 1.169 208 W HN 0.328 nan 8.180 nan 0.000 0.561 209 R N 5.309 125.433 120.500 -0.625 0.000 2.664 209 R HA 0.406 4.746 4.340 -0.001 0.000 0.266 209 R C -2.121 173.736 176.300 -0.738 0.000 1.046 209 R CA -0.749 54.965 56.100 -0.642 0.000 0.885 209 R CB 0.945 31.035 30.300 -0.349 0.000 1.254 209 R HN 0.684 nan 8.270 nan 0.000 0.465 210 Y N -1.172 118.770 120.300 -0.597 0.000 2.638 210 Y HA 0.653 5.203 4.550 -0.001 0.000 0.339 210 Y C -1.084 174.752 175.900 -0.106 0.000 1.084 210 Y CA -1.672 56.204 58.100 -0.374 0.000 1.068 210 Y CB 0.687 38.975 38.460 -0.286 0.000 1.294 210 Y HN 0.423 nan 8.280 nan 0.000 0.480 211 Y N 1.385 121.859 120.300 0.290 0.000 2.326 211 Y HA 0.353 4.902 4.550 -0.001 0.000 0.333 211 Y C -0.451 175.739 175.900 0.483 0.000 1.240 211 Y CA -0.375 57.935 58.100 0.351 0.000 1.365 211 Y CB 0.593 39.284 38.460 0.384 0.000 1.289 211 Y HN 0.652 nan 8.280 nan 0.000 0.548 212 F N 2.185 122.445 119.950 0.516 0.000 2.551 212 F HA 0.314 4.840 4.527 -0.001 0.000 0.316 212 F C -0.239 175.878 175.800 0.528 0.000 1.089 212 F CA -1.093 57.151 58.000 0.406 0.000 0.915 212 F CB 1.266 40.406 39.000 0.233 0.000 1.186 212 F HN 0.330 nan 8.300 nan 0.000 0.456 213 Q N 4.526 124.294 119.800 -0.053 0.000 2.361 213 Q HA 0.149 4.489 4.340 -0.001 0.000 0.276 213 Q C -1.427 174.787 176.000 0.355 0.000 1.022 213 Q CA 0.419 56.240 55.803 0.029 0.000 0.898 213 Q CB 0.974 29.583 28.738 -0.214 0.000 1.246 213 Q HN 0.742 nan 8.270 nan 0.000 0.410 214 W N 2.585 123.951 121.300 0.110 0.000 3.275 214 W HA 0.451 5.111 4.660 -0.001 0.000 0.306 214 W C -1.891 174.683 176.519 0.091 0.000 1.259 214 W CA -0.852 56.592 57.345 0.166 0.000 1.194 214 W CB 0.708 30.405 29.460 0.394 0.000 1.375 214 W HN 0.319 nan 8.180 nan 0.000 0.564 215 D N 2.785 123.228 120.400 0.072 0.000 2.217 215 D HA 0.476 5.115 4.640 -0.001 0.000 0.243 215 D C -0.726 175.705 176.300 0.218 0.000 1.054 215 D CA -0.458 53.559 54.000 0.028 0.000 0.838 215 D CB 1.769 42.603 40.800 0.057 0.000 1.162 215 D HN 0.348 nan 8.370 nan 0.000 0.472 216 R N 0.991 121.630 120.500 0.231 0.000 2.651 216 R HA 0.529 4.869 4.340 -0.001 0.000 0.278 216 R C -1.612 174.793 176.300 0.175 0.000 1.010 216 R CA -0.487 55.762 56.100 0.248 0.000 0.896 216 R CB 1.752 32.340 30.300 0.480 0.000 1.211 216 R HN 0.370 nan 8.270 nan 0.000 0.456 217 T N 4.118 118.716 114.554 0.073 0.000 2.841 217 T HA 0.511 4.861 4.350 -0.001 0.000 0.285 217 T C -1.270 173.461 174.700 0.052 0.000 0.991 217 T CA -0.487 61.677 62.100 0.107 0.000 0.966 217 T CB 1.037 70.030 68.868 0.208 0.000 0.962 217 T HN 0.378 nan 8.240 nan 0.000 0.438 218 L N 5.476 126.731 121.223 0.053 0.000 2.446 218 L HA 0.571 4.910 4.340 -0.001 0.000 0.268 218 L C -1.342 175.534 176.870 0.011 0.000 0.975 218 L CA -0.674 54.182 54.840 0.027 0.000 0.848 218 L CB 0.912 42.989 42.059 0.030 0.000 1.225 218 L HN 0.501 nan 8.230 nan 0.000 0.410 219 I N 7.189 127.760 120.570 0.002 0.000 2.352 219 I HA 0.316 4.486 4.170 -0.001 0.000 0.290 219 I C -1.755 174.347 176.117 -0.026 0.000 1.036 219 I CA -1.700 59.595 61.300 -0.008 0.000 1.336 219 I CB 0.839 38.836 38.000 -0.006 0.000 1.407 219 I HN 0.499 nan 8.210 nan 0.000 0.497 220 P HA 0.172 nan 4.420 nan 0.000 0.269 220 P C -0.487 176.783 177.300 -0.050 0.000 1.215 220 P CA -0.007 63.067 63.100 -0.043 0.000 0.780 220 P CB 1.146 32.825 31.700 -0.036 0.000 0.898 221 S N 0.237 115.900 115.700 -0.062 0.000 2.615 221 S HA 0.647 5.117 4.470 -0.001 0.000 0.269 221 S C -1.021 173.538 174.600 -0.069 0.000 1.161 221 S CA -0.786 57.345 58.200 -0.115 0.000 0.817 221 S CB 1.339 64.453 63.200 -0.142 0.000 1.131 221 S HN 0.847 nan 8.310 nan 0.000 0.467 222 H N -2.214 116.842 119.070 -0.024 0.000 2.855 222 H HA 0.682 5.238 4.556 -0.001 0.000 0.363 222 H C 1.073 176.390 175.328 -0.018 0.000 1.185 222 H CA -0.244 55.790 56.048 -0.023 0.000 1.174 222 H CB 0.222 29.973 29.762 -0.017 0.000 1.857 222 H HN 0.406 nan 8.280 nan 0.000 0.565 223 T N 0.562 115.261 114.554 0.242 0.000 2.684 223 T HA -0.203 4.147 4.350 -0.001 0.000 0.267 223 T C 1.868 176.670 174.700 0.169 0.000 1.032 223 T CA 2.466 64.660 62.100 0.156 0.000 1.155 223 T CB -0.841 68.096 68.868 0.114 0.000 0.857 223 T HN 0.869 nan 8.240 nan 0.000 0.457 224 G N 0.317 109.371 108.800 0.422 0.000 2.985 224 G HA2 0.093 4.053 3.960 -0.001 0.000 0.209 224 G HA3 0.093 4.053 3.960 -0.001 0.000 0.209 224 G C 0.588 175.501 174.900 0.021 0.000 1.165 224 G CA -0.038 45.210 45.100 0.247 0.000 0.776 224 G HN 0.388 nan 8.290 nan 0.000 0.541 225 T N 1.442 115.791 114.554 -0.341 0.000 2.937 225 T HA 0.338 4.687 4.350 -0.001 0.000 0.316 225 T C 0.758 175.378 174.700 -0.134 0.000 1.079 225 T CA 0.496 62.388 62.100 -0.346 0.000 1.131 225 T CB 0.954 69.576 68.868 -0.410 0.000 1.000 225 T HN 0.366 nan 8.240 nan 0.000 0.549 226 S N 1.363 117.007 115.700 -0.093 0.000 2.578 226 S HA 0.835 5.304 4.470 -0.001 0.000 0.301 226 S C 0.472 175.044 174.600 -0.047 0.000 1.091 226 S CA -0.178 57.992 58.200 -0.050 0.000 1.032 226 S CB 1.543 64.727 63.200 -0.027 0.000 1.064 226 S HN 1.428 nan 8.310 nan 0.000 0.508 227 G N 0.993 109.773 108.800 -0.033 0.000 2.698 227 G HA2 0.003 3.963 3.960 -0.001 0.000 0.233 227 G HA3 0.003 3.963 3.960 -0.001 0.000 0.233 227 G C -0.101 174.779 174.900 -0.033 0.000 1.352 227 G CA -0.187 44.897 45.100 -0.028 0.000 0.879 227 G HN 2.142 nan 8.290 nan 0.000 0.567 228 T N -1.019 113.519 114.554 -0.027 0.000 2.809 228 T HA 0.667 5.016 4.350 -0.001 0.000 0.296 228 T C -0.537 174.147 174.700 -0.028 0.000 1.015 228 T CA -0.315 61.768 62.100 -0.028 0.000 0.954 228 T CB 1.700 70.555 68.868 -0.021 0.000 0.950 228 T HN 0.520 nan 8.240 nan 0.000 0.450 229 P HA -0.101 nan 4.420 nan 0.000 0.212 229 P C -0.052 177.237 177.300 -0.018 0.000 1.128 229 P CA 1.329 64.409 63.100 -0.034 0.000 0.961 229 P CB 0.006 31.681 31.700 -0.043 0.000 0.782 230 T N -2.302 112.244 114.554 -0.013 0.000 3.488 230 T HA 0.130 4.479 4.350 -0.001 0.000 0.379 230 T C -1.486 173.212 174.700 -0.004 0.000 0.898 230 T CA -0.701 61.398 62.100 -0.002 0.000 1.017 230 T CB -1.006 67.869 68.868 0.011 0.000 1.353 230 T HN 0.246 nan 8.240 nan 0.000 0.431 231 N N 2.798 121.492 118.700 -0.010 0.000 2.653 231 N HA 0.526 5.266 4.740 -0.001 0.000 0.261 231 N C -0.937 174.558 175.510 -0.024 0.000 1.216 231 N CA -0.334 52.709 53.050 -0.010 0.000 0.784 231 N CB 1.215 39.696 38.487 -0.009 0.000 1.327 231 N HN 0.720 nan 8.380 nan 0.000 0.539 232 V N 1.527 121.399 119.914 -0.069 0.000 2.876 232 V HA 0.682 4.802 4.120 -0.001 0.000 0.312 232 V C -1.494 174.476 176.094 -0.206 0.000 1.085 232 V CA -0.888 61.329 62.300 -0.138 0.000 0.945 232 V CB 1.802 33.492 31.823 -0.221 0.000 1.017 232 V HN 0.410 nan 8.190 nan 0.000 0.428 233 Y N 3.361 123.535 120.300 -0.210 0.000 2.342 233 Y HA 0.562 5.111 4.550 -0.001 0.000 0.338 233 Y C 0.800 176.630 175.900 -0.117 0.000 0.965 233 Y CA -0.014 58.025 58.100 -0.103 0.000 1.159 233 Y CB 1.451 39.898 38.460 -0.022 0.000 1.157 233 Y HN 0.905 nan 8.280 nan 0.000 0.486 234 H N 3.842 122.671 119.070 -0.401 0.000 2.535 234 H HA 0.328 4.883 4.556 -0.001 0.000 0.273 234 H C 1.253 176.299 175.328 -0.470 0.000 0.983 234 H CA 0.735 56.580 56.048 -0.338 0.000 1.238 234 H CB 0.394 30.055 29.762 -0.168 0.000 1.412 234 H HN 0.972 nan 8.280 nan 0.000 0.562 235 G N -0.307 108.013 108.800 -0.801 0.000 2.378 235 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.198 235 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.198 235 G C -0.704 174.176 174.900 -0.034 0.000 1.223 235 G CA -0.420 44.455 45.100 -0.376 0.000 1.088 235 G HN 0.185 nan 8.290 nan 0.000 0.530 236 T N 0.964 115.575 114.554 0.096 0.000 2.855 236 T HA 0.552 4.901 4.350 -0.001 0.000 0.281 236 T C -0.874 173.857 174.700 0.052 0.000 1.007 236 T CA -0.139 62.044 62.100 0.139 0.000 1.009 236 T CB 1.782 70.812 68.868 0.269 0.000 0.983 236 T HN 0.679 nan 8.240 nan 0.000 0.455 237 D N 3.506 123.910 120.400 0.006 0.000 2.316 237 D HA 0.204 4.844 4.640 -0.001 0.000 0.245 237 D C -1.108 175.177 176.300 -0.024 0.000 1.171 237 D CA -2.402 51.584 54.000 -0.024 0.000 0.856 237 D CB 1.485 42.252 40.800 -0.055 0.000 1.090 237 D HN 0.113 nan 8.370 nan 0.000 0.476 238 P HA -0.131 nan 4.420 nan 0.000 0.220 238 P C 0.202 177.490 177.300 -0.021 0.000 1.144 238 P CA 0.872 63.972 63.100 0.001 0.000 0.800 238 P CB 0.459 32.165 31.700 0.011 0.000 0.772 239 D N -0.232 120.148 120.400 -0.032 0.000 2.349 239 D HA -0.018 4.622 4.640 -0.001 0.000 0.224 239 D C 0.464 176.731 176.300 -0.056 0.000 1.029 239 D CA 0.611 54.589 54.000 -0.037 0.000 0.879 239 D CB 0.018 40.798 40.800 -0.033 0.000 0.906 239 D HN 0.265 nan 8.370 nan 0.000 0.528 240 D N 0.038 120.389 120.400 -0.081 0.000 2.527 240 D HA 0.064 4.704 4.640 -0.001 0.000 0.224 240 D C 0.236 176.428 176.300 -0.180 0.000 1.217 240 D CA -0.073 53.860 54.000 -0.112 0.000 0.819 240 D CB 1.564 42.291 40.800 -0.121 0.000 1.061 240 D HN -0.063 nan 8.370 nan 0.000 0.515 241 V N 1.872 121.682 119.914 -0.174 0.000 2.470 241 V HA 0.136 4.255 4.120 -0.001 0.000 0.276 241 V C 0.155 176.158 176.094 -0.152 0.000 1.040 241 V CA 0.260 62.407 62.300 -0.254 0.000 1.008 241 V CB 0.948 32.731 31.823 -0.067 0.000 0.990 241 V HN 0.003 nan 8.190 nan 0.000 0.477 242 Q N 4.991 124.685 119.800 -0.177 0.000 2.337 242 Q HA 0.364 4.703 4.340 -0.001 0.000 0.260 242 Q C -1.318 174.702 176.000 0.034 0.000 0.982 242 Q CA -0.526 55.180 55.803 -0.162 0.000 0.734 242 Q CB 2.421 30.995 28.738 -0.272 0.000 1.272 242 Q HN 0.679 nan 8.270 nan 0.000 0.461 243 F N 3.560 123.462 119.950 -0.080 0.000 2.334 243 F HA 0.428 4.955 4.527 -0.001 0.000 0.367 243 F C -1.577 174.176 175.800 -0.080 0.000 1.115 243 F CA -1.170 56.893 58.000 0.106 0.000 1.116 243 F CB 0.322 39.408 39.000 0.143 0.000 1.230 243 F HN 0.358 nan 8.300 nan 0.000 0.484 244 Y N 3.356 123.661 120.300 0.009 0.000 2.334 244 Y HA 0.533 5.082 4.550 -0.001 0.000 0.328 244 Y C 0.543 176.173 175.900 -0.449 0.000 1.130 244 Y CA -0.570 57.364 58.100 -0.275 0.000 1.163 244 Y CB 1.707 40.005 38.460 -0.271 0.000 1.207 244 Y HN 0.467 nan 8.280 nan 0.000 0.471 245 T N 4.161 118.513 114.554 -0.337 0.000 2.861 245 T HA 0.380 4.729 4.350 -0.001 0.000 0.287 245 T C 1.160 175.767 174.700 -0.156 0.000 1.003 245 T CA -0.564 61.288 62.100 -0.414 0.000 0.977 245 T CB 1.060 69.591 68.868 -0.563 0.000 0.996 245 T HN 0.609 nan 8.240 nan 0.000 0.448 246 I N 1.399 121.906 120.570 -0.106 0.000 2.353 246 I HA -0.106 4.064 4.170 -0.001 0.000 0.248 246 I C 2.189 178.186 176.117 -0.201 0.000 1.119 246 I CA 1.118 62.195 61.300 -0.372 0.000 1.417 246 I CB -0.003 37.384 38.000 -1.022 0.000 1.078 246 I HN 0.644 nan 8.210 nan 0.000 0.421 247 E N 1.232 121.429 120.200 -0.005 0.000 2.070 247 E HA -0.239 4.110 4.350 -0.001 0.000 0.197 247 E C 1.734 178.334 176.600 0.000 0.000 1.004 247 E CA 1.653 58.092 56.400 0.065 0.000 0.805 247 E CB -0.369 29.430 29.700 0.164 0.000 0.744 247 E HN 0.488 nan 8.360 nan 0.000 0.451 248 N N -0.874 117.802 118.700 -0.040 0.000 2.409 248 N HA -0.047 4.693 4.740 -0.001 0.000 0.179 248 N C 0.932 176.414 175.510 -0.046 0.000 1.032 248 N CA 1.144 54.166 53.050 -0.046 0.000 0.898 248 N CB 0.292 38.731 38.487 -0.080 0.000 0.971 248 N HN 0.136 nan 8.380 nan 0.000 0.441 249 S N -1.640 114.019 115.700 -0.068 0.000 2.603 249 S HA 0.324 4.794 4.470 -0.001 0.000 0.232 249 S C 0.059 174.620 174.600 -0.065 0.000 1.016 249 S CA -0.520 57.648 58.200 -0.054 0.000 0.976 249 S CB 0.443 63.617 63.200 -0.042 0.000 0.921 249 S HN -0.117 nan 8.310 nan 0.000 0.516 250 V N 3.444 123.306 119.914 -0.087 0.000 2.841 250 V HA 0.569 4.688 4.120 -0.001 0.000 0.310 250 V C -2.702 173.371 176.094 -0.035 0.000 1.090 250 V CA -2.036 60.219 62.300 -0.076 0.000 0.930 250 V CB 2.262 33.994 31.823 -0.151 0.000 1.014 250 V HN 0.151 nan 8.190 nan 0.000 0.425 251 P HA 0.361 nan 4.420 nan 0.000 0.281 251 P C -0.986 176.377 177.300 0.105 0.000 1.252 251 P CA -0.115 63.022 63.100 0.062 0.000 0.778 251 P CB 1.665 33.422 31.700 0.096 0.000 0.895 252 V N 4.352 124.330 119.914 0.106 0.000 2.483 252 V HA 0.279 4.398 4.120 -0.001 0.000 0.295 252 V C 0.039 176.223 176.094 0.150 0.000 1.035 252 V CA -0.515 61.879 62.300 0.156 0.000 0.896 252 V CB 1.035 32.976 31.823 0.197 0.000 0.986 252 V HN 0.581 nan 8.190 nan 0.000 0.447 253 H N 3.497 122.571 119.070 0.007 0.000 2.472 253 H HA 0.673 5.228 4.556 -0.001 0.000 0.338 253 H C -0.589 174.741 175.328 0.003 0.000 1.133 253 H CA -0.508 55.547 56.048 0.011 0.000 1.216 253 H CB 1.430 31.190 29.762 -0.003 0.000 1.497 253 H HN 0.461 nan 8.280 nan 0.000 0.500 254 L N 4.346 125.616 121.223 0.078 0.000 2.298 254 L HA 0.384 4.723 4.340 -0.001 0.000 0.284 254 L C -0.778 176.127 176.870 0.058 0.000 1.013 254 L CA -0.437 54.429 54.840 0.044 0.000 0.824 254 L CB 0.877 42.944 42.059 0.014 0.000 1.221 254 L HN 0.308 nan 8.230 nan 0.000 0.418 255 L N 3.952 125.201 121.223 0.043 0.000 2.296 255 L HA 0.588 4.928 4.340 -0.001 0.000 0.286 255 L C 0.104 176.995 176.870 0.037 0.000 1.023 255 L CA -0.589 54.285 54.840 0.057 0.000 0.812 255 L CB 1.692 43.784 42.059 0.056 0.000 1.223 255 L HN 0.626 nan 8.230 nan 0.000 0.421 256 R N 0.638 121.166 120.500 0.047 0.000 2.700 256 R HA 0.381 4.721 4.340 -0.001 0.000 0.253 256 R C 1.032 177.366 176.300 0.057 0.000 1.091 256 R CA -0.657 55.467 56.100 0.038 0.000 1.104 256 R CB 1.253 31.573 30.300 0.032 0.000 1.202 256 R HN 0.587 nan 8.270 nan 0.000 0.532 257 T N 0.354 114.941 114.554 0.054 0.000 2.649 257 T HA -0.217 4.132 4.350 -0.001 0.000 0.268 257 T C 1.665 176.418 174.700 0.089 0.000 1.036 257 T CA 1.968 64.112 62.100 0.074 0.000 1.157 257 T CB -0.438 68.468 68.868 0.063 0.000 0.861 257 T HN 0.870 nan 8.240 nan 0.000 0.445 258 G N 1.419 110.263 108.800 0.073 0.000 2.848 258 G HA2 0.012 3.971 3.960 -0.001 0.000 0.208 258 G HA3 0.012 3.971 3.960 -0.001 0.000 0.208 258 G C 0.130 175.083 174.900 0.088 0.000 1.152 258 G CA -0.009 45.136 45.100 0.076 0.000 0.789 258 G HN 0.393 nan 8.290 nan 0.000 0.531 259 D N -0.226 120.233 120.400 0.098 0.000 2.332 259 D HA 0.448 5.087 4.640 -0.001 0.000 0.252 259 D C -0.246 176.145 176.300 0.152 0.000 1.050 259 D CA -0.132 53.938 54.000 0.116 0.000 0.970 259 D CB 1.866 42.734 40.800 0.113 0.000 1.141 259 D HN 0.208 nan 8.370 nan 0.000 0.485 260 E N 0.296 120.595 120.200 0.166 0.000 2.408 260 E HA 0.437 4.786 4.350 -0.001 0.000 0.275 260 E C -1.830 174.906 176.600 0.227 0.000 0.935 260 E CA -0.720 55.802 56.400 0.203 0.000 0.775 260 E CB 2.208 32.008 29.700 0.166 0.000 1.277 260 E HN 0.297 nan 8.360 nan 0.000 0.455 261 F N 1.904 121.890 119.950 0.061 0.000 2.547 261 F HA 0.718 5.245 4.527 -0.001 0.000 0.316 261 F C -1.611 174.180 175.800 -0.015 0.000 1.121 261 F CA -0.363 57.631 58.000 -0.009 0.000 0.911 261 F CB 1.800 40.770 39.000 -0.051 0.000 1.179 261 F HN 0.471 nan 8.300 nan 0.000 0.443 262 A N 4.407 126.721 122.820 -0.843 0.000 2.357 262 A HA 0.581 4.900 4.320 -0.001 0.000 0.295 262 A C -0.594 176.493 177.584 -0.830 0.000 1.121 262 A CA -0.583 51.066 52.037 -0.647 0.000 0.742 262 A CB 1.001 19.802 19.000 -0.332 0.000 1.181 262 A HN 0.697 nan 8.150 nan 0.000 0.454 263 T N 1.983 116.145 114.554 -0.653 0.000 2.918 263 T HA 0.448 4.798 4.350 -0.001 0.000 0.302 263 T C 1.253 175.756 174.700 -0.329 0.000 1.045 263 T CA 0.959 62.794 62.100 -0.441 0.000 1.114 263 T CB 0.982 69.690 68.868 -0.267 0.000 0.965 263 T HN 0.969 nan 8.240 nan 0.000 0.540 264 G N 1.600 110.251 108.800 -0.249 0.000 2.489 264 G HA2 0.371 4.331 3.960 -0.001 0.000 0.271 264 G HA3 0.371 4.331 3.960 -0.001 0.000 0.271 264 G C -0.250 174.511 174.900 -0.233 0.000 1.427 264 G CA -0.480 44.499 45.100 -0.201 0.000 1.057 264 G HN 0.643 nan 8.290 nan 0.000 0.532 265 T N 0.247 114.662 114.554 -0.232 0.000 2.799 265 T HA 0.393 4.742 4.350 -0.001 0.000 0.286 265 T C -1.002 173.429 174.700 -0.447 0.000 0.973 265 T CA 0.000 61.867 62.100 -0.389 0.000 1.035 265 T CB 0.963 69.535 68.868 -0.494 0.000 0.932 265 T HN 0.304 nan 8.240 nan 0.000 0.469 266 F N 3.800 123.363 119.950 -0.644 0.000 2.420 266 F HA 0.641 5.167 4.527 -0.001 0.000 0.342 266 F C -1.377 173.922 175.800 -0.835 0.000 1.113 266 F CA -1.558 56.080 58.000 -0.603 0.000 1.059 266 F CB 0.542 39.205 39.000 -0.562 0.000 1.128 266 F HN 0.428 nan 8.300 nan 0.000 0.475 267 F N 6.791 126.112 119.950 -1.049 0.000 2.388 267 F HA 0.404 4.931 4.527 -0.001 0.000 0.358 267 F C -0.436 174.823 175.800 -0.903 0.000 1.122 267 F CA -0.673 56.905 58.000 -0.703 0.000 1.056 267 F CB 0.603 39.331 39.000 -0.453 0.000 1.155 267 F HN 0.281 nan 8.300 nan 0.000 0.461 268 F N 2.114 121.935 119.950 -0.214 0.000 2.490 268 F HA 0.160 4.686 4.527 -0.001 0.000 0.336 268 F C 0.597 176.349 175.800 -0.080 0.000 1.178 268 F CA -0.210 57.748 58.000 -0.070 0.000 1.301 268 F CB 0.548 39.479 39.000 -0.114 0.000 1.175 268 F HN 0.403 nan 8.300 nan 0.000 0.593 269 D N 0.911 121.440 120.400 0.216 0.000 2.404 269 D HA 0.434 5.074 4.640 -0.001 0.000 0.267 269 D C -0.993 175.394 176.300 0.144 0.000 1.194 269 D CA -0.273 53.797 54.000 0.117 0.000 0.910 269 D CB 0.315 41.159 40.800 0.073 0.000 1.090 269 D HN 0.327 nan 8.370 nan 0.000 0.511 270 C N 0.940 120.321 119.300 0.135 0.000 3.336 270 C HA 0.577 5.037 4.460 -0.001 0.000 0.339 270 C C -0.188 174.898 174.990 0.159 0.000 1.468 270 C CA -1.008 58.104 59.018 0.156 0.000 1.287 270 C CB 1.751 29.610 27.740 0.199 0.000 1.682 270 C HN 0.403 nan 8.230 nan 0.000 0.451 271 K N 1.335 121.840 120.400 0.175 0.000 2.132 271 K HA 0.565 4.884 4.320 -0.001 0.000 0.241 271 K C -2.520 174.161 176.600 0.135 0.000 1.000 271 K CA -0.926 55.438 56.287 0.127 0.000 0.911 271 K CB 0.455 33.006 32.500 0.085 0.000 1.093 271 K HN 0.500 nan 8.250 nan 0.000 0.460 272 P HA 0.088 nan 4.420 nan 0.000 0.276 272 P C -0.853 176.424 177.300 -0.038 0.000 1.244 272 P CA -0.542 62.426 63.100 -0.221 0.000 0.801 272 P CB 0.902 32.299 31.700 -0.505 0.000 1.006 273 C N 3.285 122.586 119.300 0.001 0.000 2.322 273 C HA 0.473 4.932 4.460 -0.001 0.000 0.324 273 C C 0.414 175.386 174.990 -0.029 0.000 1.284 273 C CA -0.634 58.317 59.018 -0.112 0.000 1.606 273 C CB -0.135 27.410 27.740 -0.324 0.000 2.251 273 C HN 0.530 nan 8.230 nan 0.000 0.502 274 R N 4.451 124.932 120.500 -0.032 0.000 2.459 274 R HA 0.460 4.800 4.340 -0.001 0.000 0.281 274 R C -0.264 176.026 176.300 -0.017 0.000 1.050 274 R CA -0.400 55.694 56.100 -0.009 0.000 1.055 274 R CB 0.829 31.134 30.300 0.008 0.000 1.045 274 R HN 0.746 nan 8.270 nan 0.000 0.495 275 L N 1.866 123.070 121.223 -0.032 0.000 3.154 275 L HA 0.198 4.538 4.340 -0.001 0.000 0.266 275 L C -0.209 176.652 176.870 -0.015 0.000 1.300 275 L CA -0.204 54.603 54.840 -0.054 0.000 1.028 275 L CB 0.499 42.474 42.059 -0.139 0.000 1.412 275 L HN 0.781 nan 8.230 nan 0.000 0.564 276 T N -3.951 110.619 114.554 0.025 0.000 2.916 276 T HA 0.419 4.768 4.350 -0.001 0.000 0.305 276 T C -0.686 174.066 174.700 0.087 0.000 1.119 276 T CA -0.747 61.371 62.100 0.030 0.000 1.008 276 T CB 2.058 70.911 68.868 -0.024 0.000 1.129 276 T HN 0.220 nan 8.240 nan 0.000 0.480 277 H N 0.627 119.742 119.070 0.075 0.000 2.595 277 H HA 0.748 5.304 4.556 -0.001 0.000 0.346 277 H C -0.460 174.934 175.328 0.110 0.000 1.181 277 H CA -0.634 55.478 56.048 0.108 0.000 1.242 277 H CB 1.471 31.331 29.762 0.163 0.000 1.652 277 H HN 0.883 nan 8.280 nan 0.000 0.548 278 T N -0.817 113.842 114.554 0.175 0.000 2.895 278 T HA 0.245 4.594 4.350 -0.001 0.000 0.283 278 T C 0.685 175.524 174.700 0.232 0.000 1.014 278 T CA -0.893 61.231 62.100 0.040 0.000 1.037 278 T CB 1.222 70.073 68.868 -0.028 0.000 1.006 278 T HN 0.939 nan 8.240 nan 0.000 0.468 279 W N 0.543 121.922 121.300 0.131 0.000 2.773 279 W HA 0.305 4.965 4.660 -0.001 0.000 0.297 279 W C -0.136 176.442 176.519 0.099 0.000 1.050 279 W CA -0.644 56.795 57.345 0.156 0.000 1.467 279 W CB -0.208 29.346 29.460 0.156 0.000 0.977 279 W HN 0.545 nan 8.180 nan 0.000 0.573 280 Q N 2.359 121.719 119.800 -0.734 0.000 2.364 280 Q HA 0.269 4.608 4.340 -0.001 0.000 0.267 280 Q C -0.147 175.746 176.000 -0.178 0.000 0.999 280 Q CA 1.011 56.430 55.803 -0.640 0.000 0.886 280 Q CB 1.551 29.820 28.738 -0.782 0.000 1.243 280 Q HN -0.201 nan 8.270 nan 0.000 0.415 281 T N 0.696 115.213 114.554 -0.061 0.000 2.927 281 T HA 0.190 4.539 4.350 -0.001 0.000 0.286 281 T C 0.953 175.644 174.700 -0.015 0.000 1.040 281 T CA -0.726 61.378 62.100 0.006 0.000 1.010 281 T CB 0.902 69.816 68.868 0.078 0.000 1.177 281 T HN 0.611 nan 8.240 nan 0.000 0.546 282 N N 0.281 118.979 118.700 -0.003 0.000 2.205 282 N HA -0.107 4.632 4.740 -0.001 0.000 0.186 282 N C 1.655 177.171 175.510 0.010 0.000 1.015 282 N CA 0.693 53.733 53.050 -0.016 0.000 0.862 282 N CB 0.107 38.588 38.487 -0.011 0.000 0.986 282 N HN 0.204 nan 8.380 nan 0.000 0.429 283 R N 0.550 121.075 120.500 0.042 0.000 2.285 283 R HA 0.021 4.361 4.340 -0.001 0.000 0.213 283 R C 0.646 176.997 176.300 0.086 0.000 1.068 283 R CA 0.222 56.363 56.100 0.067 0.000 1.004 283 R CB -0.026 30.326 30.300 0.086 0.000 0.873 283 R HN 0.141 nan 8.270 nan 0.000 0.467 284 A N 0.468 123.331 122.820 0.073 0.000 2.676 284 A HA 0.350 4.670 4.320 -0.001 0.000 0.297 284 A C -0.065 177.546 177.584 0.044 0.000 1.132 284 A CA -0.400 51.696 52.037 0.099 0.000 0.972 284 A CB 0.331 19.439 19.000 0.181 0.000 1.197 284 A HN 0.035 nan 8.150 nan 0.000 0.524 285 L N 0.498 121.750 121.223 0.049 0.000 2.305 285 L HA 0.690 5.029 4.340 -0.001 0.000 0.284 285 L C 0.818 177.787 176.870 0.164 0.000 1.013 285 L CA 0.055 54.952 54.840 0.095 0.000 0.819 285 L CB 1.361 43.390 42.059 -0.050 0.000 1.227 285 L HN 0.609 nan 8.230 nan 0.000 0.417 286 G N 2.484 111.453 108.800 0.281 0.000 2.582 286 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.222 286 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.222 286 G C -1.274 173.703 174.900 0.129 0.000 1.311 286 G CA -0.865 44.373 45.100 0.231 0.000 0.915 286 G HN 0.508 nan 8.290 nan 0.000 0.528 287 L N 3.206 124.493 121.223 0.107 0.000 2.369 287 L HA 0.559 4.899 4.340 -0.001 0.000 0.279 287 L C -0.728 176.199 176.870 0.095 0.000 1.108 287 L CA -1.234 53.659 54.840 0.089 0.000 0.852 287 L CB 0.101 42.207 42.059 0.078 0.000 1.169 287 L HN 0.637 nan 8.230 nan 0.000 0.452 288 P HA 0.269 nan 4.420 nan 0.000 0.272 288 P C -2.680 174.680 177.300 0.099 0.000 1.240 288 P CA -1.095 62.059 63.100 0.090 0.000 0.791 288 P CB -0.451 31.299 31.700 0.082 0.000 0.978 289 P HA 0.053 nan 4.420 nan 0.000 0.269 289 P C -0.622 176.755 177.300 0.128 0.000 1.209 289 P CA -0.081 63.085 63.100 0.111 0.000 0.776 289 P CB 0.321 32.071 31.700 0.083 0.000 0.876 290 F N 3.257 123.228 119.950 0.035 0.000 2.472 290 F HA 0.215 4.742 4.527 -0.001 0.000 0.364 290 F C 0.100 175.919 175.800 0.032 0.000 1.090 290 F CA -0.499 57.520 58.000 0.031 0.000 1.188 290 F CB 0.097 39.113 39.000 0.027 0.000 1.105 290 F HN 0.100 nan 8.300 nan 0.000 0.536 291 L N 7.304 128.129 121.223 -0.663 0.000 2.325 291 L HA 0.182 4.521 4.340 -0.001 0.000 0.284 291 L C 0.650 177.138 176.870 -0.637 0.000 1.089 291 L CA -0.088 54.475 54.840 -0.461 0.000 0.836 291 L CB 0.396 42.274 42.059 -0.302 0.000 1.184 291 L HN 0.672 nan 8.230 nan 0.000 0.444 292 N N 0.612 119.168 118.700 -0.240 0.000 2.461 292 N HA -0.055 4.685 4.740 -0.001 0.000 0.188 292 N C 0.065 175.543 175.510 -0.053 0.000 1.134 292 N CA 0.159 53.174 53.050 -0.058 0.000 0.878 292 N CB 0.353 38.901 38.487 0.101 0.000 0.972 292 N HN 0.470 nan 8.380 nan 0.000 0.456 293 S N 0.283 115.929 115.700 -0.089 0.000 2.750 293 S HA 0.432 4.902 4.470 -0.001 0.000 0.276 293 S C -1.317 173.250 174.600 -0.054 0.000 1.165 293 S CA -0.771 57.402 58.200 -0.045 0.000 1.047 293 S CB 0.169 63.363 63.200 -0.009 0.000 1.056 293 S HN 0.015 nan 8.310 nan 0.000 0.481 294 L N 4.566 125.758 121.223 -0.052 0.000 2.334 294 L HA 0.614 4.953 4.340 -0.001 0.000 0.272 294 L C -1.960 174.895 176.870 -0.025 0.000 1.020 294 L CA -2.413 52.400 54.840 -0.045 0.000 0.812 294 L CB 1.283 43.306 42.059 -0.059 0.000 1.264 294 L HN 0.462 nan 8.230 nan 0.000 0.439 295 P HA 0.059 nan 4.420 nan 0.000 0.270 295 P C -0.565 176.715 177.300 -0.033 0.000 1.227 295 P CA -0.102 62.980 63.100 -0.031 0.000 0.788 295 P CB 0.434 32.108 31.700 -0.044 0.000 0.926 296 Q N -0.899 118.879 119.800 -0.037 0.000 2.103 296 Q HA 0.240 4.579 4.340 -0.001 0.000 0.219 296 Q C -0.721 175.258 176.000 -0.036 0.000 0.784 296 Q CA 0.067 55.851 55.803 -0.032 0.000 1.014 296 Q CB 0.705 29.429 28.738 -0.024 0.000 1.183 296 Q HN 0.358 nan 8.270 nan 0.000 0.469 297 S N 0.601 116.272 115.700 -0.048 0.000 2.533 297 S HA 0.250 4.719 4.470 -0.001 0.000 0.271 297 S C -0.968 173.593 174.600 -0.064 0.000 1.143 297 S CA -0.921 57.249 58.200 -0.051 0.000 0.891 297 S CB 2.034 65.204 63.200 -0.050 0.000 1.105 297 S HN 0.135 nan 8.310 nan 0.000 0.468 298 E N 0.780 120.945 120.200 -0.058 0.000 2.415 298 E HA 0.466 4.815 4.350 -0.001 0.000 0.262 298 E C 0.320 176.870 176.600 -0.083 0.000 1.038 298 E CA -0.244 56.118 56.400 -0.065 0.000 0.921 298 E CB 0.476 30.146 29.700 -0.051 0.000 0.950 298 E HN 0.859 nan 8.360 nan 0.000 0.438 299 G N 0.127 108.863 108.800 -0.107 0.000 2.146 299 G HA2 0.252 4.212 3.960 -0.001 0.000 0.261 299 G HA3 0.252 4.212 3.960 -0.001 0.000 0.261 299 G C 0.161 174.937 174.900 -0.207 0.000 1.745 299 G CA -0.290 44.729 45.100 -0.136 0.000 0.905 299 G HN 0.475 nan 8.290 nan 0.000 0.746 300 A N 1.234 123.949 122.820 -0.176 0.000 2.032 300 A HA 0.097 4.417 4.320 -0.001 0.000 0.221 300 A C 2.041 179.359 177.584 -0.444 0.000 1.165 300 A CA 2.604 54.520 52.037 -0.200 0.000 0.645 300 A CB -0.142 18.802 19.000 -0.093 0.000 0.807 300 A HN 1.076 nan 8.150 nan 0.000 0.453 301 T N 0.079 114.355 114.554 -0.463 0.000 3.145 301 T HA 0.133 4.482 4.350 -0.001 0.000 0.255 301 T C 0.136 174.347 174.700 -0.815 0.000 1.039 301 T CA -0.283 61.410 62.100 -0.678 0.000 0.928 301 T CB -0.497 68.225 68.868 -0.243 0.000 1.029 301 T HN 0.554 nan 8.240 nan 0.000 0.554 302 N N 1.758 120.037 118.700 -0.701 0.000 2.645 302 N HA 0.371 5.111 4.740 -0.001 0.000 0.233 302 N C -1.177 174.082 175.510 -0.419 0.000 1.058 302 N CA -0.380 52.418 53.050 -0.419 0.000 0.942 302 N CB 0.433 38.783 38.487 -0.229 0.000 1.210 302 N HN 0.110 nan 8.380 nan 0.000 0.512 303 F N 0.238 120.177 119.950 -0.019 0.000 2.450 303 F HA 0.535 5.062 4.527 -0.001 0.000 0.328 303 F C 1.424 177.207 175.800 -0.028 0.000 1.068 303 F CA -0.816 57.172 58.000 -0.021 0.000 1.007 303 F CB 0.585 39.575 39.000 -0.016 0.000 1.251 303 F HN 0.161 nan 8.300 nan 0.000 0.492 304 G N -0.517 108.402 108.800 0.198 0.000 2.547 304 G HA2 0.436 4.395 3.960 -0.001 0.000 0.291 304 G HA3 0.436 4.395 3.960 -0.001 0.000 0.291 304 G C -1.791 173.143 174.900 0.056 0.000 1.211 304 G CA -0.197 44.943 45.100 0.067 0.000 0.950 304 G HN 0.551 nan 8.290 nan 0.000 0.504 305 D N -0.584 119.818 120.400 0.004 0.000 2.855 305 D HA 0.222 4.862 4.640 -0.001 0.000 0.241 305 D C 1.291 177.579 176.300 -0.020 0.000 1.277 305 D CA -0.680 53.322 54.000 0.005 0.000 0.918 305 D CB 1.519 42.331 40.800 0.020 0.000 1.462 305 D HN 0.127 nan 8.370 nan 0.000 0.559 306 I N 2.602 123.168 120.570 -0.007 0.000 2.264 306 I HA -0.112 4.058 4.170 -0.001 0.000 0.248 306 I C 1.766 177.901 176.117 0.030 0.000 1.111 306 I CA 1.341 62.644 61.300 0.006 0.000 1.382 306 I CB -0.260 37.760 38.000 0.033 0.000 1.060 306 I HN 0.793 nan 8.210 nan 0.000 0.418 307 G N 1.138 109.957 108.800 0.032 0.000 2.198 307 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.260 307 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.260 307 G C -0.078 174.857 174.900 0.060 0.000 1.025 307 G CA 0.289 45.415 45.100 0.043 0.000 0.769 307 G HN 0.253 nan 8.290 nan 0.000 0.507 308 V N -0.342 119.610 119.914 0.064 0.000 2.733 308 V HA 0.411 4.531 4.120 -0.001 0.000 0.306 308 V C 0.447 176.583 176.094 0.070 0.000 1.084 308 V CA -0.869 61.473 62.300 0.070 0.000 0.905 308 V CB 1.965 33.838 31.823 0.083 0.000 1.010 308 V HN 0.515 nan 8.190 nan 0.000 0.424 309 Q N 2.408 122.249 119.800 0.068 0.000 2.286 309 Q HA 0.024 4.364 4.340 -0.001 0.000 0.290 309 Q C 1.049 177.112 176.000 0.105 0.000 1.049 309 Q CA 0.442 56.293 55.803 0.079 0.000 0.923 309 Q CB 0.710 29.489 28.738 0.069 0.000 1.183 309 Q HN 0.739 nan 8.270 nan 0.000 0.383 310 Q N 2.016 121.900 119.800 0.139 0.000 2.197 310 Q HA -0.228 4.111 4.340 -0.001 0.000 0.207 310 Q C 0.389 176.540 176.000 0.251 0.000 0.984 310 Q CA 1.917 57.840 55.803 0.200 0.000 0.869 310 Q CB 0.133 29.006 28.738 0.225 0.000 0.906 310 Q HN 0.759 nan 8.270 nan 0.000 0.426 311 D N -1.429 119.088 120.400 0.193 0.000 2.358 311 D HA 0.010 4.649 4.640 -0.001 0.000 0.224 311 D C 0.476 176.793 176.300 0.028 0.000 1.123 311 D CA 0.071 54.102 54.000 0.052 0.000 0.833 311 D CB 0.335 41.056 40.800 -0.130 0.000 0.946 311 D HN -0.087 nan 8.370 nan 0.000 0.505 312 K N 0.281 120.717 120.400 0.059 0.000 2.536 312 K HA 0.247 4.567 4.320 -0.001 0.000 0.203 312 K C 0.209 176.840 176.600 0.052 0.000 1.063 312 K CA -0.337 55.976 56.287 0.043 0.000 1.063 312 K CB 1.318 33.844 32.500 0.042 0.000 0.843 312 K HN 0.114 nan 8.250 nan 0.000 0.521 313 R N 0.782 121.322 120.500 0.067 0.000 2.549 313 R HA 0.401 4.741 4.340 -0.001 0.000 0.259 313 R C 0.125 176.458 176.300 0.056 0.000 1.095 313 R CA -0.458 55.684 56.100 0.070 0.000 1.148 313 R CB 0.920 31.273 30.300 0.089 0.000 1.181 313 R HN -0.073 nan 8.270 nan 0.000 0.571 314 R N -0.641 119.892 120.500 0.055 0.000 2.803 314 R HA 0.683 5.023 4.340 -0.001 0.000 0.276 314 R C -0.387 175.942 176.300 0.048 0.000 0.978 314 R CA -0.608 55.517 56.100 0.043 0.000 0.939 314 R CB 2.227 32.546 30.300 0.032 0.000 1.179 314 R HN 0.852 nan 8.270 nan 0.000 0.472 315 G N 0.078 108.902 108.800 0.040 0.000 2.350 315 G HA2 0.162 4.121 3.960 -0.001 0.000 0.282 315 G HA3 0.162 4.121 3.960 -0.001 0.000 0.282 315 G C -1.833 173.087 174.900 0.033 0.000 1.314 315 G CA -0.877 44.248 45.100 0.041 0.000 0.915 315 G HN 0.376 nan 8.290 nan 0.000 0.499 316 V N -0.204 119.729 119.914 0.032 0.000 2.628 316 V HA 0.900 5.019 4.120 -0.001 0.000 0.306 316 V C 0.241 176.348 176.094 0.020 0.000 1.045 316 V CA -0.346 61.967 62.300 0.022 0.000 0.905 316 V CB 1.797 33.630 31.823 0.016 0.000 0.997 316 V HN 1.054 nan 8.190 nan 0.000 0.436 317 T N 1.811 116.372 114.554 0.011 0.000 2.883 317 T HA 0.336 4.686 4.350 -0.001 0.000 0.296 317 T C -0.028 174.663 174.700 -0.015 0.000 1.117 317 T CA -0.320 61.782 62.100 0.003 0.000 1.006 317 T CB 2.163 71.038 68.868 0.012 0.000 1.191 317 T HN 0.765 nan 8.240 nan 0.000 0.508 318 Q N 0.939 120.721 119.800 -0.030 0.000 2.179 318 Q HA 0.343 4.683 4.340 -0.001 0.000 0.213 318 Q C -0.314 175.649 176.000 -0.062 0.000 0.833 318 Q CA 0.004 55.783 55.803 -0.041 0.000 0.990 318 Q CB 0.198 28.911 28.738 -0.041 0.000 1.132 318 Q HN 0.557 nan 8.270 nan 0.000 0.493 319 M N 0.502 120.055 119.600 -0.078 0.000 2.754 319 M HA 0.273 4.753 4.480 -0.001 0.000 0.327 319 M C 1.039 177.289 176.300 -0.084 0.000 1.288 319 M CA -0.298 54.928 55.300 -0.124 0.000 1.324 319 M CB 0.831 33.301 32.600 -0.216 0.000 1.169 319 M HN 0.209 nan 8.290 nan 0.000 0.494 320 G N 2.123 110.887 108.800 -0.061 0.000 2.537 320 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.220 320 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.220 320 G C 0.721 175.601 174.900 -0.033 0.000 1.111 320 G CA 0.884 45.960 45.100 -0.039 0.000 0.748 320 G HN 0.888 nan 8.290 nan 0.000 0.564 321 N N -0.843 117.830 118.700 -0.044 0.000 2.328 321 N HA 0.180 4.920 4.740 -0.001 0.000 0.247 321 N C -0.120 175.388 175.510 -0.003 0.000 1.165 321 N CA 0.074 53.112 53.050 -0.020 0.000 0.873 321 N CB 0.676 39.158 38.487 -0.008 0.000 1.125 321 N HN 0.185 nan 8.380 nan 0.000 0.513 322 T N -3.730 110.817 114.554 -0.012 0.000 2.816 322 T HA 0.293 4.642 4.350 -0.001 0.000 0.299 322 T C -0.825 173.865 174.700 -0.017 0.000 1.230 322 T CA -0.721 61.388 62.100 0.015 0.000 1.007 322 T CB 1.951 70.903 68.868 0.140 0.000 1.289 322 T HN -0.183 nan 8.240 nan 0.000 0.508 323 D N -0.480 119.865 120.400 -0.093 0.000 2.440 323 D HA 0.184 4.823 4.640 -0.001 0.000 0.216 323 D C -0.783 175.501 176.300 -0.026 0.000 1.150 323 D CA 0.026 53.977 54.000 -0.081 0.000 0.832 323 D CB 0.055 40.780 40.800 -0.125 0.000 0.992 323 D HN 0.452 nan 8.370 nan 0.000 0.502 324 Y N 1.026 121.391 120.300 0.109 0.000 2.452 324 Y HA 0.305 4.855 4.550 -0.001 0.000 0.348 324 Y C 0.774 176.736 175.900 0.103 0.000 0.985 324 Y CA -0.446 57.729 58.100 0.125 0.000 1.214 324 Y CB 0.383 38.969 38.460 0.210 0.000 1.136 324 Y HN -0.181 nan 8.280 nan 0.000 0.523 325 I N 4.311 125.030 120.570 0.248 0.000 2.330 325 I HA 0.261 4.431 4.170 -0.001 0.000 0.286 325 I C 0.109 176.316 176.117 0.150 0.000 1.025 325 I CA -0.079 61.318 61.300 0.161 0.000 1.197 325 I CB 0.806 38.874 38.000 0.112 0.000 1.358 325 I HN 0.519 nan 8.210 nan 0.000 0.467 326 T N 3.883 118.520 114.554 0.137 0.000 2.940 326 T HA 0.219 4.569 4.350 -0.001 0.000 0.288 326 T C 1.026 175.779 174.700 0.090 0.000 1.045 326 T CA -0.539 61.624 62.100 0.105 0.000 1.018 326 T CB 2.181 71.110 68.868 0.102 0.000 1.151 326 T HN 0.446 nan 8.240 nan 0.000 0.529 327 E N 0.694 120.939 120.200 0.076 0.000 2.338 327 E HA -0.015 4.335 4.350 -0.001 0.000 0.197 327 E C 1.649 178.296 176.600 0.078 0.000 1.007 327 E CA 0.432 56.876 56.400 0.072 0.000 0.849 327 E CB -0.033 29.704 29.700 0.062 0.000 0.774 327 E HN 0.606 nan 8.360 nan 0.000 0.506 328 A N -0.228 122.650 122.820 0.096 0.000 2.267 328 A HA 0.087 4.406 4.320 -0.001 0.000 0.213 328 A C 1.992 179.632 177.584 0.093 0.000 1.192 328 A CA 0.507 52.608 52.037 0.106 0.000 0.851 328 A CB 0.317 19.416 19.000 0.166 0.000 0.881 328 A HN 0.069 nan 8.150 nan 0.000 0.494 329 T N -0.448 114.164 114.554 0.097 0.000 3.038 329 T HA 0.234 4.583 4.350 -0.001 0.000 0.244 329 T C 0.776 175.506 174.700 0.050 0.000 1.016 329 T CA -0.259 61.890 62.100 0.081 0.000 1.098 329 T CB -0.092 68.855 68.868 0.131 0.000 0.954 329 T HN 0.220 nan 8.240 nan 0.000 0.469 330 I N 2.723 123.328 120.570 0.059 0.000 2.993 330 I HA -0.013 4.157 4.170 -0.001 0.000 0.301 330 I C 0.503 176.635 176.117 0.025 0.000 1.229 330 I CA 0.413 61.742 61.300 0.047 0.000 1.435 330 I CB 0.295 38.329 38.000 0.056 0.000 1.328 330 I HN 0.349 nan 8.210 nan 0.000 0.584 331 M N 7.238 126.848 119.600 0.016 0.000 2.185 331 M HA 0.221 4.701 4.480 -0.001 0.000 0.357 331 M C -0.531 175.764 176.300 -0.009 0.000 1.260 331 M CA -0.110 55.188 55.300 -0.002 0.000 1.124 331 M CB 0.284 32.881 32.600 -0.005 0.000 1.600 331 M HN 0.412 nan 8.290 nan 0.000 0.467 332 R N 4.159 124.639 120.500 -0.033 0.000 2.787 332 R HA 0.455 4.795 4.340 -0.001 0.000 0.271 332 R C -1.995 174.240 176.300 -0.107 0.000 0.993 332 R CA -1.749 54.310 56.100 -0.068 0.000 0.993 332 R CB 0.004 30.259 30.300 -0.075 0.000 1.155 332 R HN 0.534 nan 8.270 nan 0.000 0.486 333 P HA -0.176 nan 4.420 nan 0.000 0.215 333 P C -0.027 177.179 177.300 -0.156 0.000 1.163 333 P CA 1.859 64.835 63.100 -0.206 0.000 0.894 333 P CB 0.358 31.799 31.700 -0.431 0.000 0.791 334 A N -1.973 120.746 122.820 -0.168 0.000 4.431 334 A HA 0.580 4.899 4.320 -0.001 0.000 0.247 334 A C -1.334 176.189 177.584 -0.102 0.000 0.974 334 A CA -0.419 51.545 52.037 -0.121 0.000 0.633 334 A CB 0.422 19.351 19.000 -0.118 0.000 1.698 334 A HN 0.008 nan 8.150 nan 0.000 0.843 335 E N 0.023 120.176 120.200 -0.079 0.000 2.241 335 E HA 0.554 4.904 4.350 -0.001 0.000 0.263 335 E C -1.819 174.770 176.600 -0.019 0.000 0.882 335 E CA -0.565 55.807 56.400 -0.046 0.000 0.769 335 E CB 1.891 31.574 29.700 -0.028 0.000 1.185 335 E HN 0.400 nan 8.360 nan 0.000 0.415 336 V N 4.862 124.767 119.914 -0.014 0.000 2.405 336 V HA 0.574 4.694 4.120 -0.001 0.000 0.264 336 V C 0.843 176.970 176.094 0.055 0.000 1.048 336 V CA 0.799 63.105 62.300 0.010 0.000 0.966 336 V CB -0.007 31.808 31.823 -0.015 0.000 1.015 336 V HN 0.975 nan 8.190 nan 0.000 0.477 337 G N 4.731 113.598 108.800 0.112 0.000 2.795 337 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.664 337 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.664 337 G C -1.074 173.971 174.900 0.242 0.000 1.381 337 G CA 0.014 45.211 45.100 0.161 0.000 0.853 337 G HN 1.740 nan 8.290 nan 0.000 0.545 338 Y N -2.677 117.657 120.300 0.056 0.000 2.705 338 Y HA 0.844 5.394 4.550 -0.001 0.000 0.332 338 Y C -0.081 175.837 175.900 0.030 0.000 1.221 338 Y CA -0.709 57.422 58.100 0.053 0.000 1.059 338 Y CB 0.797 39.338 38.460 0.135 0.000 1.298 338 Y HN 0.915 nan 8.280 nan 0.000 0.459 339 S N 0.767 116.473 115.700 0.009 0.000 2.501 339 S HA 0.915 5.384 4.470 -0.001 0.000 0.301 339 S C -0.831 173.783 174.600 0.024 0.000 1.096 339 S CA -0.272 57.890 58.200 -0.065 0.000 1.063 339 S CB 1.327 64.542 63.200 0.025 0.000 1.042 339 S HN 0.983 nan 8.310 nan 0.000 0.494 340 A N 3.424 126.251 122.820 0.013 0.000 2.515 340 A HA 0.897 5.216 4.320 -0.001 0.000 0.296 340 A C -3.045 174.644 177.584 0.175 0.000 1.094 340 A CA -1.988 50.119 52.037 0.117 0.000 0.718 340 A CB 0.961 20.042 19.000 0.136 0.000 1.307 340 A HN 0.527 nan 8.150 nan 0.000 0.408 341 P HA 0.301 nan 4.420 nan 0.000 0.271 341 P C -1.478 175.943 177.300 0.203 0.000 1.220 341 P CA 0.557 63.751 63.100 0.156 0.000 0.768 341 P CB 0.025 31.779 31.700 0.089 0.000 0.848 342 Y N 1.087 121.394 120.300 0.010 0.000 2.352 342 Y HA 0.507 5.057 4.550 -0.001 0.000 0.339 342 Y C -0.165 175.793 175.900 0.097 0.000 0.992 342 Y CA -1.917 56.183 58.100 0.001 0.000 1.100 342 Y CB 0.432 38.815 38.460 -0.127 0.000 1.192 342 Y HN 0.269 nan 8.280 nan 0.000 0.458 343 Y N 0.484 120.841 120.300 0.095 0.000 3.233 343 Y HA -0.187 4.363 4.550 -0.001 0.000 0.201 343 Y C 0.221 176.178 175.900 0.096 0.000 1.486 343 Y CA 0.410 58.558 58.100 0.080 0.000 1.326 343 Y CB -1.735 36.837 38.460 0.186 0.000 1.460 343 Y HN 0.828 nan 8.280 nan 0.000 0.512 344 S N 0.893 116.647 115.700 0.090 0.000 2.437 344 S HA 0.818 5.287 4.470 -0.001 0.000 0.305 344 S C -0.609 173.886 174.600 -0.174 0.000 1.109 344 S CA -0.369 57.863 58.200 0.053 0.000 1.099 344 S CB 0.437 63.655 63.200 0.029 0.000 1.004 344 S HN 0.164 nan 8.310 nan 0.000 0.475 345 F N 2.812 122.733 119.950 -0.049 0.000 2.482 345 F HA 0.526 5.053 4.527 -0.001 0.000 0.331 345 F C 0.662 176.316 175.800 -0.243 0.000 1.115 345 F CA -0.729 57.189 58.000 -0.137 0.000 0.955 345 F CB 1.819 40.755 39.000 -0.106 0.000 1.136 345 F HN 0.570 nan 8.300 nan 0.000 0.452 346 E N 1.100 121.056 120.200 -0.406 0.000 2.249 346 E HA 0.863 5.213 4.350 -0.001 0.000 0.263 346 E C -1.143 175.029 176.600 -0.713 0.000 0.950 346 E CA -1.248 54.843 56.400 -0.515 0.000 0.827 346 E CB 2.249 31.609 29.700 -0.566 0.000 1.220 346 E HN 0.633 nan 8.360 nan 0.000 0.411 347 A N 0.886 123.481 122.820 -0.376 0.000 2.414 347 A HA 0.678 4.997 4.320 -0.001 0.000 0.306 347 A C -0.746 176.824 177.584 -0.022 0.000 1.054 347 A CA -0.419 51.503 52.037 -0.193 0.000 0.724 347 A CB 2.016 20.973 19.000 -0.072 0.000 1.267 347 A HN 0.421 nan 8.150 nan 0.000 0.418 348 S N -0.914 114.848 115.700 0.102 0.000 3.255 348 S HA 0.543 5.013 4.470 -0.001 0.000 0.305 348 S C 1.507 176.129 174.600 0.036 0.000 1.067 348 S CA 0.682 58.944 58.200 0.104 0.000 0.966 348 S CB 0.481 63.794 63.200 0.187 0.000 1.366 348 S HN 1.475 nan 8.310 nan 0.000 0.717 349 T N 0.325 114.866 114.554 -0.022 0.000 3.051 349 T HA 0.010 4.360 4.350 -0.001 0.000 0.269 349 T C 0.807 175.423 174.700 -0.140 0.000 1.127 349 T CA 1.144 63.199 62.100 -0.075 0.000 1.107 349 T CB -0.435 68.364 68.868 -0.115 0.000 0.898 349 T HN 0.625 nan 8.240 nan 0.000 0.517 350 Q N 0.394 120.090 119.800 -0.174 0.000 2.115 350 Q HA 0.558 4.898 4.340 -0.001 0.000 0.249 350 Q C 0.647 176.685 176.000 0.064 0.000 0.830 350 Q CA -0.536 55.088 55.803 -0.299 0.000 1.104 350 Q CB 0.661 28.799 28.738 -0.999 0.000 1.207 350 Q HN 0.526 nan 8.270 nan 0.000 0.464 351 G N 1.694 110.569 108.800 0.125 0.000 2.479 351 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.686 351 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.686 351 G C -3.250 171.751 174.900 0.168 0.000 1.295 351 G CA -1.141 44.069 45.100 0.184 0.000 0.922 351 G HN 0.082 nan 8.290 nan 0.000 0.582 352 P HA 0.703 nan 4.420 nan 0.000 0.277 352 P C -0.612 176.815 177.300 0.213 0.000 1.240 352 P CA -0.314 62.827 63.100 0.068 0.000 0.798 352 P CB 0.463 32.205 31.700 0.070 0.000 0.979 353 F N -1.536 118.525 119.950 0.185 0.000 2.641 353 F HA 0.541 5.068 4.527 -0.001 0.000 0.308 353 F C -0.617 175.186 175.800 0.005 0.000 1.105 353 F CA -1.580 56.493 58.000 0.123 0.000 0.964 353 F CB 1.208 40.233 39.000 0.043 0.000 1.294 353 F HN 0.025 nan 8.300 nan 0.000 0.442 354 K N 1.894 122.313 120.400 0.031 0.000 2.401 354 K HA 0.198 4.517 4.320 -0.001 0.000 0.278 354 K C -0.477 176.084 176.600 -0.064 0.000 1.018 354 K CA 0.019 56.046 56.287 -0.434 0.000 0.981 354 K CB 0.815 33.021 32.500 -0.491 0.000 0.933 354 K HN 0.912 nan 8.250 nan 0.000 0.477 355 T N 7.161 121.628 114.554 -0.145 0.000 2.769 355 T HA 0.158 4.508 4.350 -0.001 0.000 0.293 355 T C -2.275 172.441 174.700 0.026 0.000 0.931 355 T CA -1.045 61.069 62.100 0.024 0.000 1.139 355 T CB 0.744 69.615 68.868 0.005 0.000 0.881 355 T HN 0.447 nan 8.240 nan 0.000 0.532 356 P HA 0.336 nan 4.420 nan 0.000 0.272 356 P C -0.596 176.737 177.300 0.056 0.000 1.223 356 P CA -0.566 62.557 63.100 0.039 0.000 0.784 356 P CB 0.570 32.285 31.700 0.024 0.000 0.923 357 I N 0.497 121.100 120.570 0.055 0.000 2.894 357 I HA 0.527 4.697 4.170 -0.001 0.000 0.302 357 I C -1.194 174.964 176.117 0.067 0.000 1.188 357 I CA -1.189 60.150 61.300 0.066 0.000 1.014 357 I CB 2.144 40.153 38.000 0.016 0.000 1.242 357 I HN 0.342 nan 8.210 nan 0.000 0.430 358 A N 5.879 128.760 122.820 0.102 0.000 2.280 358 A HA 0.813 5.133 4.320 -0.001 0.000 0.320 358 A C 0.231 177.847 177.584 0.054 0.000 1.366 358 A CA 0.429 52.529 52.037 0.104 0.000 0.938 358 A CB 0.086 19.194 19.000 0.180 0.000 1.157 358 A HN 2.021 nan 8.150 nan 0.000 0.536 359 A N 1.397 124.250 122.820 0.055 0.000 2.556 359 A HA 0.354 4.674 4.320 -0.001 0.000 0.682 359 A C 0.641 178.224 177.584 -0.001 0.000 0.218 359 A CA 0.523 52.589 52.037 0.048 0.000 0.079 359 A CB -1.353 17.681 19.000 0.056 0.000 3.949 359 A HN 2.589 nan 8.150 nan 0.000 0.546 360 G N -0.373 108.433 108.800 0.010 0.000 3.259 360 G HA2 0.936 4.896 3.960 -0.001 0.000 0.178 360 G HA3 0.936 4.896 3.960 -0.001 0.000 0.178 360 G C -0.067 174.827 174.900 -0.010 0.000 1.129 360 G CA 0.616 45.701 45.100 -0.025 0.000 0.816 360 G HN 1.832 nan 8.290 nan 0.000 0.634 361 R N -2.612 117.885 120.500 -0.004 0.000 4.468 361 R HA 0.322 4.661 4.340 -0.001 0.000 0.209 361 R C -0.802 175.511 176.300 0.021 0.000 0.855 361 R CA 0.386 56.494 56.100 0.012 0.000 0.806 361 R CB -0.593 29.723 30.300 0.026 0.000 1.407 361 R HN 2.009 nan 8.270 nan 0.000 0.481 362 G N -0.772 108.035 108.800 0.011 0.000 2.523 362 G HA2 0.511 4.470 3.960 -0.001 0.000 0.291 362 G HA3 0.511 4.470 3.960 -0.001 0.000 0.291 362 G C 0.074 174.936 174.900 -0.063 0.000 1.450 362 G CA 0.137 45.221 45.100 -0.026 0.000 0.790 362 G HN 0.737 nan 8.290 nan 0.000 0.496 363 G N 0.037 108.744 108.800 -0.155 0.000 2.792 363 G HA2 0.498 4.457 3.960 -0.001 0.000 0.147 363 G HA3 0.498 4.457 3.960 -0.001 0.000 0.147 363 G C 1.199 176.049 174.900 -0.084 0.000 1.838 363 G CA 0.873 45.902 45.100 -0.118 0.000 0.980 363 G HN 1.826 nan 8.290 nan 0.000 0.436 364 A N -0.040 122.725 122.820 -0.091 0.000 2.512 364 A HA 0.235 4.555 4.320 -0.001 0.000 0.278 364 A C 0.781 178.335 177.584 -0.050 0.000 1.128 364 A CA 0.122 52.126 52.037 -0.056 0.000 0.818 364 A CB -0.305 18.664 19.000 -0.052 0.000 1.044 364 A HN 0.372 nan 8.150 nan 0.000 0.526 365 Q N 2.277 122.060 119.800 -0.029 0.000 3.178 365 Q HA -0.091 4.249 4.340 -0.001 0.000 0.340 365 Q C 1.430 177.422 176.000 -0.013 0.000 1.183 365 Q CA 1.302 57.094 55.803 -0.019 0.000 1.188 365 Q CB -0.524 28.210 28.738 -0.007 0.000 1.043 365 Q HN 0.869 nan 8.270 nan 0.000 0.438 366 T N -1.858 112.686 114.554 -0.016 0.000 3.361 366 T HA -0.044 4.306 4.350 -0.001 0.000 0.251 366 T C 0.495 175.204 174.700 0.014 0.000 1.131 366 T CA -0.311 61.789 62.100 -0.000 0.000 1.001 366 T CB 0.045 68.915 68.868 0.004 0.000 1.003 366 T HN 0.446 nan 8.240 nan 0.000 0.558 367 D N 2.232 122.638 120.400 0.011 0.000 3.071 367 D HA -0.255 4.385 4.640 -0.001 0.000 0.167 367 D C 0.907 177.227 176.300 0.033 0.000 1.021 367 D CA 1.938 55.949 54.000 0.019 0.000 0.667 367 D CB 0.276 41.086 40.800 0.017 0.000 1.080 367 D HN 0.780 nan 8.370 nan 0.000 0.481 368 E N 2.256 122.481 120.200 0.043 0.000 3.966 368 E HA -0.435 3.915 4.350 -0.001 0.000 0.204 368 E C 0.953 177.583 176.600 0.051 0.000 1.215 368 E CA 1.752 58.185 56.400 0.055 0.000 2.203 368 E CB -1.649 28.085 29.700 0.057 0.000 1.837 368 E HN 0.786 nan 8.360 nan 0.000 0.327 369 N N 0.951 119.679 118.700 0.046 0.000 2.417 369 N HA -0.246 4.493 4.740 -0.001 0.000 0.187 369 N C 1.976 177.513 175.510 0.045 0.000 1.027 369 N CA 1.198 54.276 53.050 0.047 0.000 0.891 369 N CB -0.188 38.324 38.487 0.042 0.000 0.956 369 N HN 0.335 nan 8.380 nan 0.000 0.442 370 Q N 1.519 121.343 119.800 0.040 0.000 1.967 370 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 370 Q C 1.459 177.480 176.000 0.035 0.000 0.985 370 Q CA 1.487 57.311 55.803 0.035 0.000 0.839 370 Q CB -0.283 28.469 28.738 0.023 0.000 0.906 370 Q HN 0.278 nan 8.270 nan 0.000 0.423 371 A N 0.452 123.297 122.820 0.042 0.000 3.292 371 A HA -0.144 4.176 4.320 -0.001 0.000 0.859 371 A C 1.489 179.099 177.584 0.044 0.000 1.061 371 A CA 3.044 55.111 52.037 0.051 0.000 2.910 371 A CB -1.933 17.107 19.000 0.067 0.000 1.486 371 A HN 1.646 nan 8.150 nan 0.000 0.898 372 A N -2.937 119.925 122.820 0.070 0.000 5.308 372 A HA -0.406 3.914 4.320 -0.001 0.000 0.321 372 A C 1.395 179.018 177.584 0.065 0.000 1.849 372 A CA 2.435 54.523 52.037 0.085 0.000 0.713 372 A CB -2.192 16.812 19.000 0.006 0.000 1.360 372 A HN 1.902 nan 8.150 nan 0.000 0.384 373 D N -1.059 119.307 120.400 -0.057 0.000 2.779 373 D HA -0.299 4.341 4.640 -0.001 0.000 0.587 373 D C 1.173 177.492 176.300 0.032 0.000 0.565 373 D CA 3.325 57.268 54.000 -0.095 0.000 1.496 373 D CB -1.209 39.495 40.800 -0.160 0.000 0.194 373 D HN 1.817 nan 8.370 nan 0.000 0.195 374 G N 0.628 109.440 108.800 0.019 0.000 4.683 374 G HA2 0.385 4.345 3.960 -0.001 0.000 0.273 374 G HA3 0.385 4.345 3.960 -0.001 0.000 0.273 374 G C -1.308 173.633 174.900 0.068 0.000 1.065 374 G CA -0.249 44.880 45.100 0.048 0.000 0.837 374 G HN 0.145 nan 8.290 nan 0.000 0.526 375 D N 2.774 123.223 120.400 0.082 0.000 2.317 375 D HA 0.359 4.998 4.640 -0.001 0.000 0.234 375 D C -1.947 174.419 176.300 0.110 0.000 1.112 375 D CA -1.133 52.937 54.000 0.116 0.000 0.840 375 D CB 2.128 42.992 40.800 0.106 0.000 1.078 375 D HN 0.107 nan 8.370 nan 0.000 0.486 376 P HA 0.035 nan 4.420 nan 0.000 0.266 376 P C -0.580 176.731 177.300 0.019 0.000 1.195 376 P CA -0.281 62.846 63.100 0.045 0.000 0.768 376 P CB 0.845 32.624 31.700 0.131 0.000 0.838 377 R N 2.560 122.957 120.500 -0.172 0.000 2.437 377 R HA 0.452 4.792 4.340 -0.001 0.000 0.310 377 R C -1.262 174.794 176.300 -0.406 0.000 0.955 377 R CA -0.537 55.447 56.100 -0.193 0.000 0.851 377 R CB 0.705 30.937 30.300 -0.113 0.000 1.161 377 R HN 0.396 nan 8.270 nan 0.000 0.446 378 Y N 2.319 122.296 120.300 -0.539 0.000 2.335 378 Y HA 0.637 5.187 4.550 -0.001 0.000 0.338 378 Y C -0.025 175.797 175.900 -0.129 0.000 0.977 378 Y CA -0.816 57.050 58.100 -0.391 0.000 1.114 378 Y CB 2.439 40.489 38.460 -0.685 0.000 1.182 378 Y HN 0.700 nan 8.280 nan 0.000 0.463 379 A N 5.055 127.928 122.820 0.089 0.000 2.318 379 A HA 0.864 5.183 4.320 -0.001 0.000 0.317 379 A C -1.253 176.387 177.584 0.093 0.000 1.159 379 A CA -0.466 51.539 52.037 -0.054 0.000 0.799 379 A CB 0.184 19.129 19.000 -0.091 0.000 1.194 379 A HN 0.670 nan 8.150 nan 0.000 0.479 380 F N 0.487 120.469 119.950 0.053 0.000 2.754 380 F HA 0.926 5.452 4.527 -0.001 0.000 0.320 380 F C 0.328 176.168 175.800 0.067 0.000 1.156 380 F CA -0.737 57.305 58.000 0.071 0.000 0.950 380 F CB 0.758 39.826 39.000 0.113 0.000 1.388 380 F HN 0.759 nan 8.300 nan 0.000 0.485 381 G N -0.165 108.786 108.800 0.253 0.000 3.175 381 G HA2 0.471 4.431 3.960 -0.001 0.000 0.255 381 G HA3 0.471 4.431 3.960 -0.001 0.000 0.255 381 G C -0.173 174.791 174.900 0.106 0.000 1.352 381 G CA -1.009 44.152 45.100 0.102 0.000 1.037 381 G HN 0.636 nan 8.290 nan 0.000 0.556 382 R N -0.757 119.753 120.500 0.017 0.000 2.174 382 R HA -0.145 4.195 4.340 -0.001 0.000 0.253 382 R C 2.417 178.694 176.300 -0.038 0.000 1.165 382 R CA 2.134 58.233 56.100 -0.002 0.000 0.984 382 R CB -0.218 30.055 30.300 -0.044 0.000 0.873 382 R HN 0.647 nan 8.270 nan 0.000 0.456 383 Q N -1.398 118.268 119.800 -0.223 0.000 2.398 383 Q HA -0.040 4.300 4.340 -0.001 0.000 0.204 383 Q C 0.137 175.649 176.000 -0.813 0.000 0.932 383 Q CA 0.634 56.154 55.803 -0.471 0.000 0.916 383 Q CB 0.462 28.785 28.738 -0.691 0.000 1.024 383 Q HN 0.506 nan 8.270 nan 0.000 0.504 384 H N -2.142 116.745 119.070 -0.305 0.000 2.567 384 H HA 0.360 4.915 4.556 -0.001 0.000 0.267 384 H C 0.567 175.753 175.328 -0.237 0.000 1.148 384 H CA 0.645 56.242 56.048 -0.752 0.000 1.031 384 H CB 1.538 30.843 29.762 -0.762 0.000 1.691 384 H HN 0.382 nan 8.280 nan 0.000 0.588 385 G N 0.726 109.616 108.800 0.150 0.000 2.705 385 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.193 385 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.193 385 G C 0.312 175.490 174.900 0.464 0.000 1.015 385 G CA -0.299 44.970 45.100 0.282 0.000 0.743 385 G HN 0.363 nan 8.290 nan 0.000 0.476 386 Q N 1.508 121.600 119.800 0.486 0.000 2.392 386 Q HA 0.367 4.706 4.340 -0.001 0.000 0.262 386 Q C 0.468 176.581 176.000 0.189 0.000 1.003 386 Q CA -0.273 55.699 55.803 0.281 0.000 0.888 386 Q CB 0.452 29.260 28.738 0.117 0.000 1.260 386 Q HN 0.285 nan 8.270 nan 0.000 0.435 387 K N 2.846 123.327 120.400 0.136 0.000 2.437 387 K HA -0.082 4.237 4.320 -0.001 0.000 0.277 387 K C 0.469 177.101 176.600 0.053 0.000 1.073 387 K CA 0.339 56.683 56.287 0.096 0.000 1.105 387 K CB 0.404 32.944 32.500 0.067 0.000 0.881 387 K HN 0.774 nan 8.250 nan 0.000 0.475 388 T N 2.151 116.725 114.554 0.034 0.000 2.714 388 T HA -0.197 4.153 4.350 -0.001 0.000 0.268 388 T C 1.523 176.208 174.700 -0.025 0.000 1.036 388 T CA 2.400 64.487 62.100 -0.021 0.000 1.148 388 T CB -0.156 68.659 68.868 -0.088 0.000 0.856 388 T HN 0.847 nan 8.240 nan 0.000 0.462 389 T N -0.966 113.580 114.554 -0.013 0.000 3.129 389 T HA 0.111 4.461 4.350 -0.001 0.000 0.251 389 T C 0.901 175.593 174.700 -0.013 0.000 1.117 389 T CA -0.025 62.065 62.100 -0.016 0.000 1.034 389 T CB -0.348 68.513 68.868 -0.013 0.000 0.968 389 T HN 0.123 nan 8.240 nan 0.000 0.526 390 T N 4.029 118.579 114.554 -0.006 0.000 2.908 390 T HA 0.245 4.595 4.350 -0.001 0.000 0.301 390 T C 0.438 175.128 174.700 -0.016 0.000 1.019 390 T CA 0.205 62.300 62.100 -0.007 0.000 1.152 390 T CB 0.466 69.333 68.868 -0.001 0.000 0.966 390 T HN 0.497 nan 8.240 nan 0.000 0.540 391 T N 1.988 116.532 114.554 -0.017 0.000 2.881 391 T HA 0.696 5.045 4.350 -0.001 0.000 0.278 391 T C 0.708 175.395 174.700 -0.022 0.000 0.982 391 T CA -0.198 61.889 62.100 -0.021 0.000 0.989 391 T CB 1.146 70.003 68.868 -0.019 0.000 1.058 391 T HN 1.085 nan 8.240 nan 0.000 0.529 392 G N 0.519 109.305 108.800 -0.024 0.000 2.712 392 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.683 392 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.683 392 G C -0.134 174.749 174.900 -0.030 0.000 1.320 392 G CA -0.318 44.767 45.100 -0.025 0.000 0.847 392 G HN 0.694 nan 8.290 nan 0.000 0.553 393 E N -0.737 119.445 120.200 -0.031 0.000 2.526 393 E HA 0.131 4.481 4.350 -0.001 0.000 0.208 393 E C 0.495 177.071 176.600 -0.039 0.000 0.997 393 E CA 0.272 56.651 56.400 -0.034 0.000 0.961 393 E CB 0.637 30.318 29.700 -0.031 0.000 1.030 393 E HN 0.456 nan 8.360 nan 0.000 0.483 394 T N 4.902 119.431 114.554 -0.040 0.000 2.834 394 T HA 0.144 4.493 4.350 -0.001 0.000 0.298 394 T C -1.763 172.895 174.700 -0.070 0.000 0.966 394 T CA -0.940 61.130 62.100 -0.049 0.000 1.141 394 T CB 0.955 69.799 68.868 -0.041 0.000 0.905 394 T HN 0.099 nan 8.240 nan 0.000 0.535 395 P HA 0.328 nan 4.420 nan 0.000 0.289 395 P C -0.484 176.683 177.300 -0.222 0.000 1.299 395 P CA -0.477 62.531 63.100 -0.153 0.000 0.766 395 P CB 0.791 32.398 31.700 -0.154 0.000 1.226 396 E N -0.266 119.678 120.200 -0.426 0.000 2.202 396 E HA 0.459 4.809 4.350 -0.001 0.000 0.272 396 E C -0.486 175.658 176.600 -0.760 0.000 0.951 396 E CA -0.680 55.413 56.400 -0.511 0.000 0.813 396 E CB 1.006 30.378 29.700 -0.546 0.000 1.151 396 E HN 0.425 nan 8.360 nan 0.000 0.398 397 R N 2.111 122.424 120.500 -0.311 0.000 2.734 397 R HA 0.687 5.027 4.340 -0.001 0.000 0.271 397 R C -1.168 175.272 176.300 0.233 0.000 1.021 397 R CA -0.975 55.063 56.100 -0.102 0.000 0.893 397 R CB 0.928 31.161 30.300 -0.112 0.000 1.244 397 R HN 0.526 nan 8.270 nan 0.000 0.464 398 F N -2.123 117.933 119.950 0.178 0.000 2.693 398 F HA 0.579 5.106 4.527 -0.001 0.000 0.309 398 F C -1.592 174.241 175.800 0.056 0.000 1.129 398 F CA -0.901 57.153 58.000 0.089 0.000 0.948 398 F CB 2.265 41.267 39.000 0.002 0.000 1.315 398 F HN 0.374 nan 8.300 nan 0.000 0.447 399 T N 2.328 117.006 114.554 0.206 0.000 2.772 399 T HA 0.228 4.578 4.350 -0.001 0.000 0.288 399 T C -1.412 173.423 174.700 0.225 0.000 0.994 399 T CA -0.272 61.914 62.100 0.144 0.000 0.951 399 T CB 0.290 69.224 68.868 0.110 0.000 0.933 399 T HN 0.621 nan 8.240 nan 0.000 0.447 400 Y N 4.814 125.211 120.300 0.161 0.000 2.480 400 Y HA 0.390 4.940 4.550 -0.001 0.000 0.341 400 Y C -0.179 175.801 175.900 0.133 0.000 1.031 400 Y CA -0.576 57.611 58.100 0.146 0.000 1.295 400 Y CB 0.076 38.679 38.460 0.239 0.000 1.162 400 Y HN 0.551 nan 8.280 nan 0.000 0.523 401 I N 7.523 127.936 120.570 -0.262 0.000 2.337 401 I HA 0.358 4.528 4.170 -0.001 0.000 0.285 401 I C 0.321 176.207 176.117 -0.384 0.000 1.041 401 I CA -0.699 60.490 61.300 -0.184 0.000 1.199 401 I CB 0.512 38.453 38.000 -0.098 0.000 1.370 401 I HN 0.744 nan 8.210 nan 0.000 0.470 402 A N 5.183 127.910 122.820 -0.155 0.000 2.448 402 A HA 0.108 4.428 4.320 -0.001 0.000 0.239 402 A C 0.961 178.443 177.584 -0.169 0.000 1.080 402 A CA 0.146 52.140 52.037 -0.071 0.000 0.779 402 A CB 0.143 19.265 19.000 0.203 0.000 1.026 402 A HN 0.727 nan 8.150 nan 0.000 0.499 403 H N 0.106 119.120 119.070 -0.094 0.000 2.512 403 H HA -0.018 4.538 4.556 -0.001 0.000 0.279 403 H C 1.058 176.226 175.328 -0.268 0.000 0.999 403 H CA 1.098 56.959 56.048 -0.312 0.000 1.283 403 H CB 0.103 29.474 29.762 -0.652 0.000 1.421 403 H HN 0.838 nan 8.280 nan 0.000 0.554 404 Q N 1.751 121.605 119.800 0.091 0.000 2.392 404 Q HA 0.023 4.363 4.340 -0.001 0.000 0.262 404 Q C -0.954 175.139 176.000 0.155 0.000 1.003 404 Q CA 0.180 56.104 55.803 0.201 0.000 0.888 404 Q CB 0.778 29.639 28.738 0.204 0.000 1.260 404 Q HN -0.014 nan 8.270 nan 0.000 0.435 405 D N 3.288 123.801 120.400 0.189 0.000 2.485 405 D HA 0.143 4.783 4.640 -0.001 0.000 0.256 405 D C -0.303 176.061 176.300 0.107 0.000 1.141 405 D CA -0.077 54.010 54.000 0.146 0.000 0.942 405 D CB 1.061 41.977 40.800 0.194 0.000 1.003 405 D HN 0.735 nan 8.370 nan 0.000 0.507 406 T N -2.050 112.554 114.554 0.083 0.000 3.337 406 T HA 0.416 4.766 4.350 -0.001 0.000 0.299 406 T C 0.806 175.524 174.700 0.030 0.000 0.998 406 T CA -0.636 61.502 62.100 0.063 0.000 0.948 406 T CB 0.771 69.685 68.868 0.076 0.000 1.170 406 T HN 0.155 nan 8.240 nan 0.000 0.508 407 G N 1.031 109.844 108.800 0.022 0.000 2.702 407 G HA2 0.749 4.708 3.960 -0.001 0.000 0.254 407 G HA3 0.749 4.708 3.960 -0.001 0.000 0.254 407 G C -0.768 174.126 174.900 -0.010 0.000 1.380 407 G CA -0.943 44.145 45.100 -0.020 0.000 1.042 407 G HN 0.255 nan 8.290 nan 0.000 0.557 408 R N -1.644 118.839 120.500 -0.029 0.000 2.837 408 R HA 0.307 4.646 4.340 -0.001 0.000 0.271 408 R C -1.929 174.410 176.300 0.066 0.000 0.993 408 R CA -0.833 55.272 56.100 0.008 0.000 0.931 408 R CB 1.710 31.983 30.300 -0.044 0.000 1.206 408 R HN 0.636 nan 8.270 nan 0.000 0.474 409 Y N 2.823 123.099 120.300 -0.040 0.000 2.863 409 Y HA 0.263 4.813 4.550 -0.001 0.000 0.348 409 Y C -1.710 174.179 175.900 -0.018 0.000 1.028 409 Y CA -2.064 56.016 58.100 -0.034 0.000 1.213 409 Y CB 1.282 39.746 38.460 0.006 0.000 1.120 409 Y HN 0.384 nan 8.280 nan 0.000 0.598 410 P HA -0.276 nan 4.420 nan 0.000 0.220 410 P C 0.910 178.008 177.300 -0.336 0.000 1.155 410 P CA 1.921 64.864 63.100 -0.262 0.000 0.880 410 P CB 0.425 31.991 31.700 -0.223 0.000 0.790 411 E N -1.276 118.524 120.200 -0.666 0.000 2.267 411 E HA -0.094 4.256 4.350 -0.001 0.000 0.197 411 E C 2.041 178.468 176.600 -0.287 0.000 0.998 411 E CA 1.458 57.529 56.400 -0.549 0.000 0.830 411 E CB -1.109 28.108 29.700 -0.805 0.000 0.751 411 E HN 0.326 nan 8.360 nan 0.000 0.491 412 G N -0.238 108.421 108.800 -0.235 0.000 3.088 412 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.217 412 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.217 412 G C -0.088 174.985 174.900 0.289 0.000 1.159 412 G CA -0.336 44.863 45.100 0.166 0.000 0.760 412 G HN 0.058 nan 8.290 nan 0.000 0.550 413 D N 0.197 120.691 120.400 0.156 0.000 2.329 413 D HA 0.511 5.151 4.640 -0.001 0.000 0.246 413 D C -0.234 176.299 176.300 0.389 0.000 1.111 413 D CA 0.065 54.165 54.000 0.167 0.000 0.941 413 D CB 1.172 41.987 40.800 0.024 0.000 1.169 413 D HN 0.461 nan 8.370 nan 0.000 0.441 414 W N -0.165 121.222 121.300 0.146 0.000 3.298 414 W HA 0.549 5.208 4.660 -0.001 0.000 0.302 414 W C -2.423 174.092 176.519 -0.007 0.000 1.255 414 W CA -0.795 56.606 57.345 0.093 0.000 1.196 414 W CB 0.284 29.771 29.460 0.045 0.000 1.364 414 W HN 0.187 nan 8.180 nan 0.000 0.566 415 I N 3.278 123.830 120.570 -0.029 0.000 2.569 415 I HA 0.439 4.608 4.170 -0.001 0.000 0.296 415 I C -0.497 175.666 176.117 0.077 0.000 1.028 415 I CA -1.192 60.020 61.300 -0.146 0.000 1.082 415 I CB 2.282 40.047 38.000 -0.392 0.000 1.264 415 I HN 0.652 nan 8.210 nan 0.000 0.429 416 Q N 4.672 124.543 119.800 0.118 0.000 2.416 416 Q HA 0.392 4.732 4.340 -0.001 0.000 0.281 416 Q C -0.968 175.119 176.000 0.145 0.000 1.067 416 Q CA -0.995 54.916 55.803 0.180 0.000 0.809 416 Q CB 1.779 30.712 28.738 0.325 0.000 1.418 416 Q HN 0.506 nan 8.270 nan 0.000 0.411 417 N N 1.800 120.573 118.700 0.122 0.000 2.292 417 N HA -0.076 4.663 4.740 -0.001 0.000 0.258 417 N C 1.120 176.719 175.510 0.148 0.000 1.261 417 N CA 0.357 53.469 53.050 0.104 0.000 0.845 417 N CB 0.593 39.130 38.487 0.083 0.000 1.064 417 N HN 0.830 nan 8.380 nan 0.000 0.471 418 I N 1.207 121.834 120.570 0.096 0.000 2.315 418 I HA -0.310 3.859 4.170 -0.001 0.000 0.251 418 I C 1.325 177.516 176.117 0.123 0.000 1.125 418 I CA 1.102 62.449 61.300 0.079 0.000 1.392 418 I CB -0.433 37.588 38.000 0.035 0.000 1.065 418 I HN 0.380 nan 8.210 nan 0.000 0.424 419 N N 0.711 119.491 118.700 0.133 0.000 2.588 419 N HA -0.156 4.583 4.740 -0.001 0.000 0.190 419 N C 0.925 176.597 175.510 0.271 0.000 1.094 419 N CA 0.837 53.976 53.050 0.149 0.000 0.921 419 N CB -0.377 38.173 38.487 0.105 0.000 0.959 419 N HN 0.358 nan 8.380 nan 0.000 0.448 420 F N 0.534 120.525 119.950 0.069 0.000 2.640 420 F HA -0.451 4.075 4.527 -0.001 0.000 0.227 420 F C 0.215 176.070 175.800 0.091 0.000 1.481 420 F CA 1.662 59.721 58.000 0.098 0.000 1.964 420 F CB -1.079 37.996 39.000 0.126 0.000 0.564 420 F HN 0.236 nan 8.300 nan 0.000 0.224 421 N N 0.400 119.171 118.700 0.119 0.000 2.556 421 N HA -0.161 4.578 4.740 -0.001 0.000 0.276 421 N C -1.109 174.345 175.510 -0.093 0.000 1.259 421 N CA 0.937 54.003 53.050 0.027 0.000 0.654 421 N CB -1.470 37.045 38.487 0.047 0.000 0.889 421 N HN 0.548 nan 8.380 nan 0.000 0.547 422 L N 1.375 122.510 121.223 -0.146 0.000 2.379 422 L HA 0.594 4.933 4.340 -0.001 0.000 0.269 422 L C -1.137 175.676 176.870 -0.095 0.000 1.084 422 L CA -1.673 53.047 54.840 -0.200 0.000 0.802 422 L CB 0.151 42.019 42.059 -0.319 0.000 1.175 422 L HN 0.122 nan 8.230 nan 0.000 0.448 423 P HA 0.124 nan 4.420 nan 0.000 0.275 423 P C -0.492 176.731 177.300 -0.128 0.000 1.227 423 P CA -0.385 62.631 63.100 -0.139 0.000 0.781 423 P CB 0.996 32.630 31.700 -0.110 0.000 0.906 424 V N 3.166 122.985 119.914 -0.158 0.000 2.763 424 V HA 0.035 4.155 4.120 -0.001 0.000 0.306 424 V C 0.282 176.327 176.094 -0.082 0.000 1.059 424 V CA 0.670 62.903 62.300 -0.112 0.000 1.138 424 V CB 0.624 32.382 31.823 -0.108 0.000 0.940 424 V HN 0.651 nan 8.190 nan 0.000 0.489 425 T N 5.641 120.166 114.554 -0.049 0.000 2.907 425 T HA 0.176 4.526 4.350 -0.001 0.000 0.284 425 T C 1.114 175.796 174.700 -0.030 0.000 1.004 425 T CA 0.287 62.365 62.100 -0.037 0.000 1.063 425 T CB 1.227 70.082 68.868 -0.021 0.000 0.992 425 T HN 0.939 nan 8.240 nan 0.000 0.483 426 N N 2.066 120.748 118.700 -0.030 0.000 2.060 426 N HA -0.167 4.573 4.740 -0.001 0.000 0.195 426 N C 1.154 176.655 175.510 -0.015 0.000 1.028 426 N CA 1.780 54.815 53.050 -0.024 0.000 0.861 426 N CB -0.079 38.395 38.487 -0.022 0.000 1.029 426 N HN 0.492 nan 8.380 nan 0.000 0.428 427 D N -0.908 119.486 120.400 -0.010 0.000 2.378 427 D HA 0.009 4.648 4.640 -0.001 0.000 0.227 427 D C 0.103 176.404 176.300 0.001 0.000 1.012 427 D CA 0.519 54.517 54.000 -0.004 0.000 0.905 427 D CB -0.406 40.393 40.800 -0.002 0.000 0.895 427 D HN 0.513 nan 8.370 nan 0.000 0.532 428 N N -0.755 117.947 118.700 0.003 0.000 2.200 428 N HA 0.079 4.818 4.740 -0.001 0.000 0.224 428 N C -0.846 174.683 175.510 0.031 0.000 1.179 428 N CA -0.112 52.949 53.050 0.019 0.000 0.877 428 N CB 1.487 39.991 38.487 0.027 0.000 1.072 428 N HN -0.134 nan 8.380 nan 0.000 0.519 429 V N -0.055 119.867 119.914 0.014 0.000 2.925 429 V HA 0.527 4.647 4.120 -0.001 0.000 0.311 429 V C -1.122 174.967 176.094 -0.008 0.000 1.104 429 V CA -1.081 61.237 62.300 0.031 0.000 0.954 429 V CB 2.470 34.302 31.823 0.015 0.000 1.022 429 V HN -0.154 nan 8.190 nan 0.000 0.427 430 L N 3.954 125.153 121.223 -0.041 0.000 2.345 430 L HA 0.729 5.068 4.340 -0.001 0.000 0.274 430 L C -0.953 175.894 176.870 -0.038 0.000 0.999 430 L CA -0.061 54.711 54.840 -0.113 0.000 0.849 430 L CB 1.018 42.888 42.059 -0.315 0.000 1.220 430 L HN 0.630 nan 8.230 nan 0.000 0.422 431 L N 6.878 128.143 121.223 0.070 0.000 2.399 431 L HA 0.592 4.932 4.340 -0.001 0.000 0.265 431 L C -1.507 175.504 176.870 0.234 0.000 1.089 431 L CA -1.468 53.470 54.840 0.162 0.000 0.802 431 L CB 0.483 42.586 42.059 0.073 0.000 1.180 431 L HN 0.444 nan 8.230 nan 0.000 0.454 432 P HA 0.031 nan 4.420 nan 0.000 0.269 432 P C 0.338 177.669 177.300 0.052 0.000 1.461 432 P CA 0.527 63.694 63.100 0.112 0.000 0.809 432 P CB 0.252 31.951 31.700 -0.002 0.000 1.503 433 T N -1.838 112.755 114.554 0.065 0.000 2.964 433 T HA 0.068 4.417 4.350 -0.001 0.000 0.250 433 T C 0.437 175.157 174.700 0.032 0.000 0.982 433 T CA 0.031 62.150 62.100 0.031 0.000 0.959 433 T CB 0.166 69.045 68.868 0.019 0.000 1.141 433 T HN 0.123 nan 8.240 nan 0.000 0.494 434 D N 3.324 123.753 120.400 0.049 0.000 2.390 434 D HA 0.241 4.881 4.640 -0.001 0.000 0.249 434 D C -2.413 173.912 176.300 0.042 0.000 1.144 434 D CA -1.307 52.715 54.000 0.037 0.000 0.880 434 D CB 1.082 41.901 40.800 0.032 0.000 1.182 434 D HN 0.163 nan 8.370 nan 0.000 0.451 435 P HA 0.195 nan 4.420 nan 0.000 0.272 435 P C -0.336 176.979 177.300 0.025 0.000 1.230 435 P CA -0.313 62.797 63.100 0.017 0.000 0.788 435 P CB 0.890 32.593 31.700 0.006 0.000 0.949 436 I N 0.424 121.007 120.570 0.021 0.000 2.647 436 I HA 0.307 4.476 4.170 -0.001 0.000 0.295 436 I C 1.260 177.387 176.117 0.017 0.000 1.078 436 I CA -0.317 60.999 61.300 0.028 0.000 1.048 436 I CB 0.981 39.006 38.000 0.041 0.000 1.239 436 I HN 0.691 nan 8.210 nan 0.000 0.421 437 G N 4.234 113.046 108.800 0.019 0.000 2.180 437 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.263 437 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.263 437 G C 1.080 175.985 174.900 0.009 0.000 0.989 437 G CA 0.952 46.062 45.100 0.016 0.000 0.692 437 G HN 1.771 nan 8.290 nan 0.000 0.526 438 G N -1.506 107.298 108.800 0.006 0.000 2.225 438 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.254 438 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.254 438 G C 0.495 175.390 174.900 -0.009 0.000 0.988 438 G CA 0.918 46.018 45.100 0.000 0.000 0.625 438 G HN 1.014 nan 8.290 nan 0.000 0.527 439 K N 1.175 121.568 120.400 -0.011 0.000 2.379 439 K HA 0.397 4.716 4.320 -0.001 0.000 0.284 439 K C 1.322 177.910 176.600 -0.021 0.000 1.044 439 K CA 0.292 56.564 56.287 -0.024 0.000 0.974 439 K CB 0.916 33.400 32.500 -0.026 0.000 0.962 439 K HN 0.126 nan 8.250 nan 0.000 0.474 440 T N 1.346 115.884 114.554 -0.026 0.000 2.962 440 T HA -0.061 4.288 4.350 -0.001 0.000 0.270 440 T C 1.239 175.927 174.700 -0.019 0.000 1.088 440 T CA 1.600 63.688 62.100 -0.020 0.000 1.127 440 T CB 0.132 68.987 68.868 -0.022 0.000 0.883 440 T HN 0.759 nan 8.240 nan 0.000 0.493 441 G N 0.377 109.162 108.800 -0.025 0.000 3.690 441 G HA2 0.396 4.356 3.960 -0.001 0.000 0.283 441 G HA3 0.396 4.356 3.960 -0.001 0.000 0.283 441 G C -0.101 174.777 174.900 -0.037 0.000 1.057 441 G CA -0.252 44.833 45.100 -0.024 0.000 0.821 441 G HN 0.301 nan 8.290 nan 0.000 0.526 442 I N 1.341 121.889 120.570 -0.037 0.000 2.466 442 I HA 0.409 4.578 4.170 -0.001 0.000 0.289 442 I C -1.022 175.070 176.117 -0.041 0.000 1.026 442 I CA -1.101 60.165 61.300 -0.056 0.000 1.078 442 I CB 1.553 39.527 38.000 -0.042 0.000 1.249 442 I HN -0.051 nan 8.210 nan 0.000 0.429 443 N N 4.124 122.780 118.700 -0.074 0.000 2.671 443 N HA 0.268 5.007 4.740 -0.001 0.000 0.303 443 N C 0.667 176.166 175.510 -0.019 0.000 1.277 443 N CA -0.464 52.568 53.050 -0.031 0.000 0.933 443 N CB 0.769 39.195 38.487 -0.102 0.000 1.190 443 N HN 0.618 nan 8.380 nan 0.000 0.600 444 Y N -1.038 119.225 120.300 -0.062 0.000 2.420 444 Y HA 0.030 4.579 4.550 -0.001 0.000 0.292 444 Y C 2.052 177.930 175.900 -0.037 0.000 1.119 444 Y CA 1.140 59.205 58.100 -0.058 0.000 1.229 444 Y CB -1.155 37.238 38.460 -0.112 0.000 1.026 444 Y HN 0.483 nan 8.280 nan 0.000 0.554 445 T N -1.834 112.197 114.554 -0.872 0.000 2.881 445 T HA -0.173 4.177 4.350 -0.001 0.000 0.270 445 T C 1.315 175.963 174.700 -0.087 0.000 1.068 445 T CA 1.640 63.422 62.100 -0.530 0.000 1.131 445 T CB -0.807 67.834 68.868 -0.379 0.000 0.871 445 T HN 0.505 nan 8.240 nan 0.000 0.479 446 N N 0.733 119.256 118.700 -0.295 0.000 2.309 446 N HA 0.066 4.806 4.740 -0.001 0.000 0.182 446 N C 1.357 176.779 175.510 -0.147 0.000 1.018 446 N CA 0.905 53.661 53.050 -0.491 0.000 0.876 446 N CB -0.097 38.119 38.487 -0.451 0.000 0.972 446 N HN 0.340 nan 8.380 nan 0.000 0.434 447 I N -0.554 120.016 120.570 -0.000 0.000 3.265 447 I HA 0.066 4.235 4.170 -0.001 0.000 0.282 447 I C 0.378 176.623 176.117 0.214 0.000 1.207 447 I CA -0.086 61.273 61.300 0.098 0.000 1.449 447 I CB -1.127 36.944 38.000 0.118 0.000 1.121 447 I HN 0.014 nan 8.210 nan 0.000 0.442 448 F N 3.761 123.739 119.950 0.047 0.000 2.629 448 F HA 0.034 4.560 4.527 -0.001 0.000 0.369 448 F C 0.777 176.643 175.800 0.111 0.000 1.125 448 F CA 0.473 58.529 58.000 0.092 0.000 1.330 448 F CB 0.011 39.032 39.000 0.036 0.000 1.071 448 F HN 0.090 nan 8.300 nan 0.000 0.595 449 N N 2.136 120.630 118.700 -0.344 0.000 2.503 449 N HA 0.166 4.906 4.740 -0.001 0.000 0.287 449 N C -0.683 174.564 175.510 -0.438 0.000 1.096 449 N CA -0.086 52.825 53.050 -0.232 0.000 0.936 449 N CB 1.500 39.972 38.487 -0.025 0.000 1.570 449 N HN 0.607 nan 8.380 nan 0.000 0.504 450 T N -0.071 114.318 114.554 -0.276 0.000 3.296 450 T HA 0.162 4.511 4.350 -0.001 0.000 0.285 450 T C 0.081 174.800 174.700 0.032 0.000 1.014 450 T CA -0.323 61.653 62.100 -0.206 0.000 0.920 450 T CB -0.727 67.996 68.868 -0.243 0.000 1.143 450 T HN 0.378 nan 8.240 nan 0.000 0.522 451 Y N 1.832 122.104 120.300 -0.046 0.000 2.359 451 Y HA 0.590 5.140 4.550 -0.001 0.000 0.330 451 Y C 0.577 176.407 175.900 -0.118 0.000 1.143 451 Y CA 0.364 58.383 58.100 -0.136 0.000 1.318 451 Y CB 0.466 38.738 38.460 -0.314 0.000 1.234 451 Y HN 0.477 nan 8.280 nan 0.000 0.522 452 G N 4.773 113.125 108.800 -0.747 0.000 2.634 452 G HA2 0.238 4.198 3.960 -0.001 0.000 0.309 452 G HA3 0.238 4.198 3.960 -0.001 0.000 0.309 452 G C -2.502 172.070 174.900 -0.548 0.000 1.299 452 G CA -0.808 43.978 45.100 -0.523 0.000 0.798 452 G HN 0.346 nan 8.290 nan 0.000 0.490 453 P HA 0.071 nan 4.420 nan 0.000 0.234 453 P C 0.955 178.142 177.300 -0.188 0.000 1.167 453 P CA 0.644 63.608 63.100 -0.227 0.000 0.763 453 P CB 0.287 31.901 31.700 -0.142 0.000 0.835 454 L N -1.119 119.988 121.223 -0.193 0.000 2.728 454 L HA 0.179 4.519 4.340 -0.001 0.000 0.238 454 L C 0.500 177.292 176.870 -0.130 0.000 1.143 454 L CA 0.018 54.775 54.840 -0.138 0.000 0.937 454 L CB -0.196 41.797 42.059 -0.110 0.000 1.225 454 L HN -0.226 nan 8.230 nan 0.000 0.507 455 T N 1.781 116.223 114.554 -0.185 0.000 2.799 455 T HA 0.431 4.781 4.350 -0.001 0.000 0.296 455 T C 0.354 175.034 174.700 -0.033 0.000 0.947 455 T CA -0.164 61.874 62.100 -0.103 0.000 1.141 455 T CB 1.099 69.868 68.868 -0.165 0.000 0.891 455 T HN 0.245 nan 8.240 nan 0.000 0.533 456 A N 3.866 126.690 122.820 0.006 0.000 2.305 456 A HA 0.836 5.155 4.320 -0.001 0.000 0.322 456 A C -0.716 176.910 177.584 0.070 0.000 1.187 456 A CA -0.616 51.431 52.037 0.017 0.000 0.825 456 A CB 0.684 19.676 19.000 -0.013 0.000 1.164 456 A HN 0.698 nan 8.150 nan 0.000 0.498 457 L N 1.810 123.079 121.223 0.077 0.000 2.540 457 L HA 0.536 4.876 4.340 -0.001 0.000 0.256 457 L C -1.335 175.585 176.870 0.083 0.000 1.001 457 L CA -0.402 54.504 54.840 0.110 0.000 0.843 457 L CB 2.286 44.438 42.059 0.156 0.000 1.436 457 L HN 0.733 nan 8.230 nan 0.000 0.410 458 N N 1.447 120.201 118.700 0.090 0.000 2.384 458 N HA 0.373 5.112 4.740 -0.001 0.000 0.301 458 N C -1.063 174.491 175.510 0.073 0.000 1.133 458 N CA -0.541 52.554 53.050 0.074 0.000 0.853 458 N CB 1.806 40.340 38.487 0.079 0.000 1.241 458 N HN 0.723 nan 8.380 nan 0.000 0.502 459 N N -0.289 118.442 118.700 0.053 0.000 2.354 459 N HA 0.100 4.839 4.740 -0.001 0.000 0.246 459 N C -0.306 175.235 175.510 0.052 0.000 1.285 459 N CA -0.436 52.639 53.050 0.042 0.000 0.925 459 N CB 0.889 39.381 38.487 0.009 0.000 1.174 459 N HN 0.075 nan 8.380 nan 0.000 0.478 460 V N 2.158 122.102 119.914 0.050 0.000 2.843 460 V HA 0.181 4.301 4.120 -0.001 0.000 0.305 460 V C -1.770 174.353 176.094 0.048 0.000 1.065 460 V CA -0.923 61.415 62.300 0.063 0.000 1.116 460 V CB 1.060 32.926 31.823 0.071 0.000 0.968 460 V HN 0.715 nan 8.190 nan 0.000 0.487 461 P HA 0.431 nan 4.420 nan 0.000 0.287 461 P C -2.912 174.392 177.300 0.008 0.000 1.270 461 P CA -2.352 60.783 63.100 0.059 0.000 0.844 461 P CB 1.064 32.851 31.700 0.145 0.000 1.068 462 P HA 0.106 nan 4.420 nan 0.000 0.268 462 P C -0.652 176.551 177.300 -0.161 0.000 1.205 462 P CA 0.222 63.325 63.100 0.006 0.000 0.771 462 P CB 0.356 31.969 31.700 -0.144 0.000 0.858 463 V N 4.474 124.268 119.914 -0.199 0.000 2.349 463 V HA 0.219 4.339 4.120 -0.001 0.000 0.284 463 V C -0.673 175.241 176.094 -0.300 0.000 1.014 463 V CA -0.615 61.481 62.300 -0.340 0.000 0.826 463 V CB 0.479 32.010 31.823 -0.487 0.000 1.009 463 V HN 0.433 nan 8.190 nan 0.000 0.431 464 Y N 8.919 128.894 120.300 -0.543 0.000 2.308 464 Y HA 0.520 5.070 4.550 -0.001 0.000 0.329 464 Y C -1.652 174.005 175.900 -0.406 0.000 1.111 464 Y CA -1.753 55.891 58.100 -0.761 0.000 1.179 464 Y CB 2.428 39.890 38.460 -1.663 0.000 1.201 464 Y HN 0.433 nan 8.280 nan 0.000 0.483 465 P HA 0.071 nan 4.420 nan 0.000 0.275 465 P C -0.234 176.731 177.300 -0.558 0.000 1.310 465 P CA 0.515 62.802 63.100 -1.356 0.000 0.904 465 P CB 0.679 31.378 31.700 -1.667 0.000 1.381 466 N N 0.563 119.076 118.700 -0.311 0.000 2.457 466 N HA -0.013 4.726 4.740 -0.001 0.000 0.180 466 N C 1.338 176.813 175.510 -0.058 0.000 1.050 466 N CA 0.463 53.439 53.050 -0.122 0.000 0.906 466 N CB -0.059 38.297 38.487 -0.217 0.000 0.968 466 N HN 0.166 nan 8.380 nan 0.000 0.445 467 G N 0.809 109.566 108.800 -0.072 0.000 2.544 467 G HA2 0.065 4.025 3.960 -0.001 0.000 0.242 467 G HA3 0.065 4.025 3.960 -0.001 0.000 0.242 467 G C -0.092 174.888 174.900 0.132 0.000 1.247 467 G CA -0.280 44.900 45.100 0.132 0.000 0.840 467 G HN 0.162 nan 8.290 nan 0.000 0.578 468 Q N 0.277 120.127 119.800 0.083 0.000 2.354 468 Q HA 0.304 4.643 4.340 -0.001 0.000 0.244 468 Q C 0.697 176.585 176.000 -0.187 0.000 0.969 468 Q CA -0.525 55.217 55.803 -0.102 0.000 0.885 468 Q CB 0.825 29.536 28.738 -0.046 0.000 1.241 468 Q HN 0.520 nan 8.270 nan 0.000 0.461 469 I N 0.974 121.272 120.570 -0.452 0.000 2.512 469 I HA 0.099 4.268 4.170 -0.001 0.000 0.247 469 I C 0.233 176.416 176.117 0.110 0.000 1.094 469 I CA 0.224 61.285 61.300 -0.399 0.000 1.427 469 I CB 0.051 37.675 38.000 -0.627 0.000 1.149 469 I HN 0.662 nan 8.210 nan 0.000 0.438 470 W N 0.116 121.421 121.300 0.008 0.000 2.902 470 W HA 0.746 5.406 4.660 -0.001 0.000 0.346 470 W C -1.468 175.150 176.519 0.165 0.000 1.139 470 W CA -0.882 56.519 57.345 0.093 0.000 1.139 470 W CB 0.559 29.994 29.460 -0.042 0.000 1.439 470 W HN -0.275 nan 8.180 nan 0.000 0.558 471 D N 0.448 121.094 120.400 0.411 0.000 2.570 471 D HA 0.318 4.958 4.640 -0.001 0.000 0.244 471 D C -1.554 174.842 176.300 0.160 0.000 1.178 471 D CA -0.881 53.331 54.000 0.352 0.000 0.881 471 D CB 2.408 43.411 40.800 0.339 0.000 1.453 471 D HN 0.450 nan 8.370 nan 0.000 0.447 472 K N 1.271 121.610 120.400 -0.102 0.000 2.172 472 K HA 0.290 4.610 4.320 -0.001 0.000 0.276 472 K C -0.438 176.184 176.600 0.037 0.000 1.013 472 K CA -0.489 55.626 56.287 -0.286 0.000 0.913 472 K CB 1.159 33.110 32.500 -0.915 0.000 1.055 472 K HN 0.345 nan 8.250 nan 0.000 0.461 473 E N 2.730 122.947 120.200 0.029 0.000 2.383 473 E HA 0.062 4.412 4.350 -0.001 0.000 0.264 473 E C -0.887 175.923 176.600 0.349 0.000 1.050 473 E CA -0.192 56.289 56.400 0.135 0.000 0.896 473 E CB 0.323 30.050 29.700 0.046 0.000 0.982 473 E HN 0.235 nan 8.360 nan 0.000 0.424 474 F N 2.100 122.152 119.950 0.169 0.000 2.518 474 F HA 0.065 4.591 4.527 -0.001 0.000 0.359 474 F C 1.109 176.947 175.800 0.063 0.000 1.118 474 F CA -0.289 57.772 58.000 0.101 0.000 1.287 474 F CB 0.370 39.419 39.000 0.081 0.000 1.132 474 F HN 0.468 nan 8.300 nan 0.000 0.587 475 D N 1.580 122.093 120.400 0.188 0.000 3.134 475 D HA 0.088 4.727 4.640 -0.001 0.000 0.248 475 D C -0.056 176.298 176.300 0.090 0.000 1.273 475 D CA -0.059 54.008 54.000 0.112 0.000 0.904 475 D CB -0.252 40.588 40.800 0.066 0.000 1.089 475 D HN 0.498 nan 8.370 nan 0.000 0.478 476 T N -2.997 111.635 114.554 0.131 0.000 2.952 476 T HA 0.289 4.638 4.350 -0.001 0.000 0.286 476 T C 0.966 175.717 174.700 0.085 0.000 1.024 476 T CA -0.855 61.304 62.100 0.099 0.000 1.029 476 T CB 1.647 70.595 68.868 0.134 0.000 1.094 476 T HN -0.166 nan 8.240 nan 0.000 0.515 477 D N 0.373 120.809 120.400 0.061 0.000 2.183 477 D HA 0.043 4.682 4.640 -0.001 0.000 0.203 477 D C 0.491 176.822 176.300 0.052 0.000 0.969 477 D CA 0.981 55.011 54.000 0.050 0.000 0.842 477 D CB 0.081 40.902 40.800 0.036 0.000 0.957 477 D HN 0.441 nan 8.370 nan 0.000 0.484 478 L N 1.837 123.095 121.223 0.059 0.000 2.316 478 L HA 0.300 4.640 4.340 -0.001 0.000 0.280 478 L C 0.192 177.103 176.870 0.068 0.000 1.006 478 L CA -0.782 54.090 54.840 0.053 0.000 0.836 478 L CB 1.667 43.752 42.059 0.043 0.000 1.221 478 L HN -0.298 nan 8.230 nan 0.000 0.418 479 K N 2.408 122.844 120.400 0.060 0.000 2.090 479 K HA 0.598 4.918 4.320 -0.001 0.000 0.249 479 K C -2.385 174.222 176.600 0.012 0.000 0.995 479 K CA -1.790 54.531 56.287 0.056 0.000 0.914 479 K CB 0.547 33.082 32.500 0.058 0.000 1.057 479 K HN 0.210 nan 8.250 nan 0.000 0.462 480 P HA 0.210 nan 4.420 nan 0.000 0.272 480 P C 0.181 177.471 177.300 -0.016 0.000 1.223 480 P CA -0.360 62.699 63.100 -0.069 0.000 0.784 480 P CB 0.551 32.137 31.700 -0.189 0.000 0.923 481 R N 0.843 121.333 120.500 -0.017 0.000 2.280 481 R HA 0.140 4.479 4.340 -0.001 0.000 0.207 481 R C 0.690 177.002 176.300 0.020 0.000 1.043 481 R CA 0.598 56.703 56.100 0.008 0.000 1.006 481 R CB -0.591 29.718 30.300 0.015 0.000 0.885 481 R HN 0.485 nan 8.270 nan 0.000 0.467 482 L N -4.902 116.341 121.223 0.033 0.000 2.940 482 L HA 0.435 4.774 4.340 -0.001 0.000 0.270 482 L C -1.454 175.508 176.870 0.155 0.000 1.030 482 L CA -1.131 53.751 54.840 0.070 0.000 0.928 482 L CB 1.905 43.994 42.059 0.050 0.000 1.506 482 L HN -0.149 nan 8.230 nan 0.000 0.405 483 H N 0.702 119.736 119.070 -0.060 0.000 2.469 483 H HA 0.431 4.987 4.556 -0.001 0.000 0.342 483 H C 0.002 175.323 175.328 -0.011 0.000 1.115 483 H CA -0.736 55.271 56.048 -0.068 0.000 1.204 483 H CB 2.994 32.729 29.762 -0.044 0.000 1.492 483 H HN 0.610 nan 8.280 nan 0.000 0.499 484 I N 2.393 123.002 120.570 0.064 0.000 3.251 484 I HA -0.147 4.022 4.170 -0.001 0.000 0.277 484 I C 1.549 177.716 176.117 0.083 0.000 1.268 484 I CA 0.993 62.329 61.300 0.060 0.000 1.449 484 I CB -0.390 37.623 38.000 0.022 0.000 1.083 484 I HN 0.654 nan 8.210 nan 0.000 0.464 485 N N -0.264 118.505 118.700 0.114 0.000 2.282 485 N HA 0.339 5.079 4.740 -0.001 0.000 0.185 485 N C 0.395 175.998 175.510 0.155 0.000 1.099 485 N CA 0.217 53.342 53.050 0.126 0.000 0.878 485 N CB 0.493 39.050 38.487 0.118 0.000 0.993 485 N HN 0.069 nan 8.380 nan 0.000 0.481 486 A N 0.837 123.758 122.820 0.169 0.000 2.517 486 A HA 0.413 4.733 4.320 -0.001 0.000 0.297 486 A C -2.300 175.356 177.584 0.120 0.000 1.050 486 A CA -1.248 50.889 52.037 0.166 0.000 0.694 486 A CB 1.417 20.522 19.000 0.174 0.000 1.277 486 A HN -0.020 nan 8.150 nan 0.000 0.400 487 P HA 0.051 nan 4.420 nan 0.000 0.229 487 P C -0.179 176.936 177.300 -0.309 0.000 1.160 487 P CA 0.988 63.999 63.100 -0.149 0.000 0.777 487 P CB 0.010 31.572 31.700 -0.230 0.000 0.814 488 F N -0.268 119.770 119.950 0.147 0.000 2.467 488 F HA 0.354 4.881 4.527 -0.001 0.000 0.336 488 F C 0.106 175.953 175.800 0.078 0.000 1.123 488 F CA -1.174 56.887 58.000 0.100 0.000 0.964 488 F CB 2.085 41.141 39.000 0.093 0.000 1.136 488 F HN -0.435 nan 8.300 nan 0.000 0.447 489 V N 2.727 122.752 119.914 0.184 0.000 2.380 489 V HA 0.195 4.314 4.120 -0.001 0.000 0.286 489 V C -0.652 175.483 176.094 0.069 0.000 1.015 489 V CA -1.098 61.213 62.300 0.018 0.000 0.834 489 V CB 1.080 32.736 31.823 -0.278 0.000 1.009 489 V HN 0.925 nan 8.190 nan 0.000 0.428 490 c N 4.060 122.739 118.600 0.131 0.000 2.624 490 c HA 0.212 4.782 4.570 -0.001 0.000 0.397 490 c C 1.694 175.824 174.090 0.067 0.000 1.331 490 c CA -0.441 55.974 56.329 0.143 0.000 1.716 490 c CB -0.091 42.540 42.510 0.202 0.000 2.452 490 c HN 0.885 nan 8.230 nan 0.000 0.586 491 Q N 2.824 122.662 119.800 0.063 0.000 1.896 491 Q HA -0.081 4.259 4.340 -0.001 0.000 0.205 491 Q C 1.910 177.939 176.000 0.048 0.000 0.978 491 Q CA 1.680 57.508 55.803 0.041 0.000 0.850 491 Q CB -0.202 28.559 28.738 0.039 0.000 0.908 491 Q HN 0.795 nan 8.270 nan 0.000 0.431 492 N N 1.720 120.451 118.700 0.052 0.000 2.048 492 N HA -0.086 4.653 4.740 -0.001 0.000 0.193 492 N C 0.660 176.211 175.510 0.069 0.000 1.061 492 N CA 0.919 53.997 53.050 0.048 0.000 0.849 492 N CB -0.602 37.904 38.487 0.031 0.000 1.044 492 N HN 0.453 nan 8.380 nan 0.000 0.429 493 N N 0.993 119.757 118.700 0.107 0.000 2.419 493 N HA 0.195 4.934 4.740 -0.001 0.000 0.264 493 N C -1.018 174.713 175.510 0.369 0.000 1.031 493 N CA -0.184 52.999 53.050 0.223 0.000 0.951 493 N CB 1.438 40.018 38.487 0.154 0.000 1.101 493 N HN 0.096 nan 8.380 nan 0.000 0.488 494 c N 2.330 120.997 118.600 0.112 0.000 2.563 494 c HA 0.514 5.084 4.570 -0.001 0.000 0.314 494 c C -2.290 171.373 174.090 -0.712 0.000 1.199 494 c CA -1.088 55.086 56.329 -0.258 0.000 1.564 494 c CB 1.740 44.166 42.510 -0.141 0.000 2.173 494 c HN 0.650 nan 8.230 nan 0.000 0.485 495 P HA 0.188 nan 4.420 nan 0.000 0.266 495 P C -0.106 177.066 177.300 -0.213 0.000 1.193 495 P CA 0.518 63.057 63.100 -0.935 0.000 0.770 495 P CB 0.435 31.801 31.700 -0.556 0.000 0.836 496 G N 1.700 110.431 108.800 -0.115 0.000 2.448 496 G HA2 0.248 4.207 3.960 -0.001 0.000 0.285 496 G HA3 0.248 4.207 3.960 -0.001 0.000 0.285 496 G C -0.671 174.231 174.900 0.004 0.000 1.176 496 G CA -0.555 44.543 45.100 -0.004 0.000 0.852 496 G HN 0.448 nan 8.290 nan 0.000 0.530 497 Q N -0.615 119.147 119.800 -0.064 0.000 2.340 497 Q HA 0.325 4.664 4.340 -0.001 0.000 0.249 497 Q C -0.834 174.819 176.000 -0.579 0.000 0.957 497 Q CA -0.479 55.122 55.803 -0.337 0.000 0.882 497 Q CB 1.975 30.391 28.738 -0.537 0.000 1.235 497 Q HN 0.337 nan 8.270 nan 0.000 0.439 498 L N 2.581 123.437 121.223 -0.612 0.000 2.305 498 L HA 0.469 4.808 4.340 -0.001 0.000 0.284 498 L C -1.654 174.802 176.870 -0.690 0.000 1.013 498 L CA -0.102 54.464 54.840 -0.456 0.000 0.819 498 L CB 0.502 42.506 42.059 -0.091 0.000 1.227 498 L HN 0.415 nan 8.230 nan 0.000 0.417 499 F N 4.255 124.113 119.950 -0.154 0.000 2.492 499 F HA 0.765 5.292 4.527 -0.001 0.000 0.327 499 F C 0.021 175.909 175.800 0.148 0.000 1.079 499 F CA -0.771 57.193 58.000 -0.060 0.000 0.967 499 F CB 1.968 40.795 39.000 -0.289 0.000 1.169 499 F HN 0.128 nan 8.300 nan 0.000 0.472 500 V N 1.956 122.145 119.914 0.459 0.000 3.007 500 V HA 0.649 4.768 4.120 -0.001 0.000 0.311 500 V C -0.883 175.312 176.094 0.168 0.000 1.120 500 V CA -1.099 61.357 62.300 0.259 0.000 0.980 500 V CB 2.439 34.302 31.823 0.066 0.000 1.033 500 V HN 0.744 nan 8.190 nan 0.000 0.429 501 K N 1.987 122.318 120.400 -0.115 0.000 2.589 501 K HA 0.528 4.847 4.320 -0.001 0.000 0.265 501 K C -2.049 174.379 176.600 -0.287 0.000 0.935 501 K CA -0.553 55.515 56.287 -0.366 0.000 0.850 501 K CB 2.373 34.222 32.500 -1.085 0.000 1.372 501 K HN 0.407 nan 8.250 nan 0.000 0.420 502 V N 3.413 123.202 119.914 -0.209 0.000 2.427 502 V HA 0.275 4.394 4.120 -0.001 0.000 0.268 502 V C 0.582 176.572 176.094 -0.174 0.000 1.046 502 V CA -0.242 61.972 62.300 -0.144 0.000 0.970 502 V CB 0.541 32.315 31.823 -0.082 0.000 1.001 502 V HN 0.853 nan 8.190 nan 0.000 0.476 503 A N 9.271 132.001 122.820 -0.151 0.000 2.520 503 A HA 0.367 4.687 4.320 -0.001 0.000 0.235 503 A C -1.730 175.785 177.584 -0.114 0.000 1.065 503 A CA -0.813 51.142 52.037 -0.137 0.000 0.764 503 A CB -0.323 18.620 19.000 -0.095 0.000 1.002 503 A HN 0.712 nan 8.150 nan 0.000 0.502 504 P HA -0.001 nan 4.420 nan 0.000 0.262 504 P C -0.782 176.456 177.300 -0.102 0.000 1.199 504 P CA 0.229 63.263 63.100 -0.110 0.000 0.763 504 P CB 0.119 31.742 31.700 -0.129 0.000 0.790 505 N N 3.797 122.449 118.700 -0.079 0.000 2.817 505 N HA 0.213 4.953 4.740 -0.001 0.000 0.234 505 N C -0.052 175.421 175.510 -0.061 0.000 1.066 505 N CA -0.499 52.513 53.050 -0.064 0.000 0.926 505 N CB 0.188 38.650 38.487 -0.042 0.000 1.176 505 N HN 0.322 nan 8.380 nan 0.000 0.506 506 L N 1.283 122.452 121.223 -0.090 0.000 2.453 506 L HA 0.256 4.596 4.340 -0.001 0.000 0.261 506 L C 1.495 178.353 176.870 -0.021 0.000 1.179 506 L CA -0.390 54.404 54.840 -0.077 0.000 0.813 506 L CB 0.685 42.634 42.059 -0.183 0.000 1.110 506 L HN 0.417 nan 8.230 nan 0.000 0.466 507 T N -2.620 111.946 114.554 0.020 0.000 2.849 507 T HA 0.110 4.459 4.350 -0.001 0.000 0.276 507 T C 1.107 175.835 174.700 0.046 0.000 0.971 507 T CA -0.530 61.588 62.100 0.030 0.000 0.949 507 T CB 0.703 69.592 68.868 0.036 0.000 1.093 507 T HN 0.713 nan 8.240 nan 0.000 0.545 508 N N 0.072 118.794 118.700 0.037 0.000 2.443 508 N HA -0.152 4.587 4.740 -0.001 0.000 0.184 508 N C 0.071 175.617 175.510 0.061 0.000 1.037 508 N CA 0.642 53.717 53.050 0.042 0.000 0.896 508 N CB -0.358 38.145 38.487 0.027 0.000 0.959 508 N HN 0.767 nan 8.380 nan 0.000 0.442 509 Q N -0.129 119.714 119.800 0.071 0.000 2.394 509 Q HA 0.295 4.635 4.340 -0.001 0.000 0.259 509 Q C -1.744 174.336 176.000 0.134 0.000 1.021 509 Q CA -0.579 55.268 55.803 0.073 0.000 0.805 509 Q CB 1.227 29.988 28.738 0.040 0.000 1.226 509 Q HN 0.301 nan 8.270 nan 0.000 0.476 510 Y N 1.791 122.092 120.300 0.001 0.000 2.396 510 Y HA 0.339 4.888 4.550 -0.001 0.000 0.332 510 Y C -1.773 174.128 175.900 0.003 0.000 1.034 510 Y CA -1.143 56.958 58.100 0.002 0.000 1.057 510 Y CB 1.736 40.197 38.460 0.002 0.000 1.220 510 Y HN 0.503 nan 8.280 nan 0.000 0.440 511 D N 8.115 128.092 120.400 -0.705 0.000 2.389 511 D HA 0.419 5.059 4.640 -0.001 0.000 0.256 511 D C -2.251 173.677 176.300 -0.619 0.000 1.239 511 D CA -2.393 51.306 54.000 -0.501 0.000 0.925 511 D CB 2.075 42.733 40.800 -0.236 0.000 1.145 511 D HN 0.319 nan 8.370 nan 0.000 0.542 512 P HA -0.072 nan 4.420 nan 0.000 0.217 512 P C 0.374 177.586 177.300 -0.147 0.000 1.148 512 P CA 0.860 63.785 63.100 -0.291 0.000 0.828 512 P CB 0.329 32.003 31.700 -0.043 0.000 0.783 513 D N -0.949 119.373 120.400 -0.130 0.000 2.336 513 D HA 0.151 4.790 4.640 -0.001 0.000 0.229 513 D C 0.627 176.881 176.300 -0.075 0.000 1.061 513 D CA 0.323 54.278 54.000 -0.075 0.000 0.875 513 D CB 0.190 40.959 40.800 -0.053 0.000 0.904 513 D HN 0.163 nan 8.370 nan 0.000 0.525 514 A N 0.078 122.834 122.820 -0.107 0.000 2.337 514 A HA 0.419 4.738 4.320 -0.001 0.000 0.329 514 A C 1.309 178.855 177.584 -0.063 0.000 1.146 514 A CA -0.533 51.455 52.037 -0.082 0.000 0.800 514 A CB 1.552 20.495 19.000 -0.095 0.000 1.220 514 A HN -0.061 nan 8.150 nan 0.000 0.472 515 S N 1.762 117.437 115.700 -0.042 0.000 2.359 515 S HA -0.152 4.318 4.470 -0.001 0.000 0.223 515 S C 2.307 176.892 174.600 -0.026 0.000 1.039 515 S CA 1.831 60.014 58.200 -0.028 0.000 1.042 515 S CB -0.818 62.368 63.200 -0.023 0.000 0.915 515 S HN 1.636 nan 8.310 nan 0.000 0.439 516 A N 1.992 124.794 122.820 -0.030 0.000 2.444 516 A HA -0.302 4.018 4.320 -0.001 0.000 0.267 516 A C 0.729 178.306 177.584 -0.011 0.000 2.810 516 A CA 2.140 54.163 52.037 -0.023 0.000 1.029 516 A CB -0.984 17.997 19.000 -0.032 0.000 0.520 516 A HN 0.604 nan 8.150 nan 0.000 0.443 517 N N -3.055 115.643 118.700 -0.003 0.000 8.315 517 N HA 0.047 4.787 4.740 -0.001 0.000 0.058 517 N C -0.493 175.044 175.510 0.044 0.000 0.808 517 N CA 0.681 53.742 53.050 0.020 0.000 1.355 517 N CB -0.639 37.854 38.487 0.011 0.000 1.077 517 N HN 1.087 nan 8.380 nan 0.000 1.424 518 M N 0.675 120.335 119.600 0.099 0.000 2.248 518 M HA 0.244 4.724 4.480 -0.001 0.000 0.343 518 M C 0.239 176.606 176.300 0.113 0.000 1.243 518 M CA 0.485 55.896 55.300 0.184 0.000 1.025 518 M CB 0.282 33.089 32.600 0.345 0.000 1.759 518 M HN 0.476 nan 8.290 nan 0.000 0.452 519 S N 4.555 120.324 115.700 0.115 0.000 2.489 519 S HA 0.801 5.270 4.470 -0.001 0.000 0.291 519 S C -0.546 174.092 174.600 0.062 0.000 1.151 519 S CA -1.109 57.131 58.200 0.066 0.000 1.082 519 S CB 1.421 64.651 63.200 0.050 0.000 1.019 519 S HN 0.938 nan 8.310 nan 0.000 0.492 520 R N 1.826 122.344 120.500 0.031 0.000 2.771 520 R HA 0.506 4.845 4.340 -0.001 0.000 0.274 520 R C -1.089 175.216 176.300 0.008 0.000 0.987 520 R CA -0.935 55.171 56.100 0.011 0.000 0.908 520 R CB 0.649 30.941 30.300 -0.013 0.000 1.213 520 R HN 0.654 nan 8.270 nan 0.000 0.468 521 I N 1.809 122.381 120.570 0.003 0.000 2.826 521 I HA -0.088 4.082 4.170 -0.001 0.000 0.295 521 I C 0.534 176.663 176.117 0.019 0.000 1.213 521 I CA -0.038 61.267 61.300 0.009 0.000 1.436 521 I CB 0.635 38.636 38.000 0.002 0.000 1.348 521 I HN 0.243 nan 8.210 nan 0.000 0.570 522 V N 6.909 126.843 119.914 0.035 0.000 2.420 522 V HA 0.013 4.132 4.120 -0.001 0.000 0.274 522 V C 0.505 176.660 176.094 0.103 0.000 1.003 522 V CA 0.548 62.887 62.300 0.065 0.000 1.092 522 V CB -0.354 31.514 31.823 0.076 0.000 1.002 522 V HN 0.785 nan 8.190 nan 0.000 0.473 523 T N 5.624 120.233 114.554 0.092 0.000 2.908 523 T HA 0.783 5.133 4.350 -0.001 0.000 0.290 523 T C -0.785 174.008 174.700 0.156 0.000 1.034 523 T CA -0.399 61.747 62.100 0.077 0.000 1.010 523 T CB 1.781 70.646 68.868 -0.005 0.000 1.068 523 T HN 0.662 nan 8.240 nan 0.000 0.481 524 Y N -1.231 119.060 120.300 -0.015 0.000 2.655 524 Y HA 0.839 5.389 4.550 -0.001 0.000 0.336 524 Y C -0.684 175.176 175.900 -0.067 0.000 1.154 524 Y CA -1.187 56.870 58.100 -0.071 0.000 1.055 524 Y CB 1.356 39.762 38.460 -0.089 0.000 1.295 524 Y HN 0.638 nan 8.280 nan 0.000 0.465 525 S N 0.638 116.347 115.700 0.014 0.000 2.569 525 S HA 0.647 5.117 4.470 -0.001 0.000 0.280 525 S C -2.235 172.386 174.600 0.034 0.000 1.111 525 S CA -0.640 57.559 58.200 -0.002 0.000 0.887 525 S CB 1.590 64.839 63.200 0.080 0.000 1.095 525 S HN 0.709 nan 8.310 nan 0.000 0.476 526 D N 2.634 123.070 120.400 0.060 0.000 2.757 526 D HA 0.602 5.242 4.640 -0.001 0.000 0.249 526 D C -0.976 175.354 176.300 0.051 0.000 1.168 526 D CA -0.020 53.955 54.000 -0.042 0.000 0.870 526 D CB 1.444 42.230 40.800 -0.023 0.000 1.411 526 D HN 0.478 nan 8.370 nan 0.000 0.525 527 F N -1.391 118.489 119.950 -0.116 0.000 2.643 527 F HA 0.766 5.292 4.527 -0.001 0.000 0.314 527 F C -1.480 174.199 175.800 -0.202 0.000 1.096 527 F CA -1.393 56.568 58.000 -0.064 0.000 0.953 527 F CB 0.972 39.980 39.000 0.012 0.000 1.345 527 F HN 0.085 nan 8.300 nan 0.000 0.468 528 W N 1.447 122.676 121.300 -0.119 0.000 2.496 528 W HA 0.523 5.182 4.660 -0.001 0.000 0.327 528 W C -1.165 175.277 176.519 -0.128 0.000 1.086 528 W CA -0.472 56.675 57.345 -0.331 0.000 1.222 528 W CB 1.373 30.303 29.460 -0.884 0.000 1.304 528 W HN 0.741 nan 8.180 nan 0.000 0.547 529 W N 4.299 125.664 121.300 0.108 0.000 2.639 529 W HA 0.625 5.285 4.660 -0.001 0.000 0.347 529 W C -1.148 175.531 176.519 0.268 0.000 1.067 529 W CA -1.507 55.971 57.345 0.222 0.000 1.218 529 W CB 1.278 30.838 29.460 0.168 0.000 1.393 529 W HN 0.217 nan 8.180 nan 0.000 0.557 530 K N 3.888 123.860 120.400 -0.714 0.000 2.588 530 K HA 0.573 4.893 4.320 -0.001 0.000 0.250 530 K C -0.813 175.120 176.600 -1.112 0.000 0.972 530 K CA -0.612 55.258 56.287 -0.695 0.000 0.821 530 K CB 1.222 33.686 32.500 -0.059 0.000 1.249 530 K HN 0.749 nan 8.250 nan 0.000 0.442 531 G N 2.360 110.503 108.800 -1.095 0.000 2.569 531 G HA2 0.518 4.477 3.960 -0.001 0.000 0.300 531 G HA3 0.518 4.477 3.960 -0.001 0.000 0.300 531 G C -1.619 173.413 174.900 0.220 0.000 1.269 531 G CA -0.551 44.343 45.100 -0.345 0.000 0.959 531 G HN 0.412 nan 8.290 nan 0.000 0.478 532 K N 0.561 121.153 120.400 0.320 0.000 2.637 532 K HA 0.481 4.801 4.320 -0.001 0.000 0.248 532 K C -1.919 174.726 176.600 0.076 0.000 0.971 532 K CA -0.698 55.711 56.287 0.203 0.000 0.858 532 K CB 1.784 34.290 32.500 0.011 0.000 1.170 532 K HN 0.313 nan 8.250 nan 0.000 0.443 533 L N 5.156 126.268 121.223 -0.185 0.000 2.325 533 L HA 0.483 4.823 4.340 -0.001 0.000 0.281 533 L C -1.424 175.269 176.870 -0.295 0.000 1.004 533 L CA -0.598 53.964 54.840 -0.464 0.000 0.823 533 L CB 1.835 43.137 42.059 -1.261 0.000 1.236 533 L HN 0.349 nan 8.230 nan 0.000 0.415 534 V N 5.694 125.416 119.914 -0.320 0.000 2.459 534 V HA 0.528 4.648 4.120 -0.001 0.000 0.295 534 V C -0.299 175.591 176.094 -0.340 0.000 1.029 534 V CA -0.378 61.809 62.300 -0.188 0.000 0.874 534 V CB 1.278 33.041 31.823 -0.099 0.000 0.985 534 V HN 0.560 nan 8.190 nan 0.000 0.438 535 F N 2.525 122.472 119.950 -0.004 0.000 2.613 535 F HA 0.720 5.247 4.527 -0.001 0.000 0.342 535 F C 0.114 175.956 175.800 0.070 0.000 1.066 535 F CA -0.987 57.038 58.000 0.042 0.000 1.002 535 F CB 1.947 41.014 39.000 0.112 0.000 1.319 535 F HN 0.273 nan 8.300 nan 0.000 0.495 536 K N 0.944 121.573 120.400 0.380 0.000 2.578 536 K HA 0.786 5.105 4.320 -0.001 0.000 0.250 536 K C -1.670 175.210 176.600 0.466 0.000 0.955 536 K CA -0.369 56.109 56.287 0.319 0.000 0.825 536 K CB 1.507 34.115 32.500 0.180 0.000 1.151 536 K HN 0.742 nan 8.250 nan 0.000 0.432 537 A N 3.089 126.115 122.820 0.343 0.000 2.350 537 A HA 0.699 5.018 4.320 -0.001 0.000 0.318 537 A C -1.372 176.137 177.584 -0.124 0.000 1.132 537 A CA -0.722 51.431 52.037 0.193 0.000 0.811 537 A CB 1.376 20.421 19.000 0.074 0.000 1.313 537 A HN 0.572 nan 8.150 nan 0.000 0.454 538 K N 1.438 121.558 120.400 -0.466 0.000 2.307 538 K HA 0.574 4.893 4.320 -0.001 0.000 0.263 538 K C -1.123 175.221 176.600 -0.428 0.000 0.973 538 K CA -0.248 55.470 56.287 -0.947 0.000 0.846 538 K CB 0.470 32.260 32.500 -1.184 0.000 1.100 538 K HN 0.601 nan 8.250 nan 0.000 0.438 539 L N 5.220 126.252 121.223 -0.319 0.000 2.485 539 L HA 0.217 4.556 4.340 -0.001 0.000 0.275 539 L C 1.020 177.793 176.870 -0.162 0.000 1.207 539 L CA -0.163 54.584 54.840 -0.155 0.000 0.855 539 L CB 0.342 42.359 42.059 -0.069 0.000 1.114 539 L HN 0.715 nan 8.230 nan 0.000 0.485 540 R N 2.975 123.402 120.500 -0.122 0.000 2.560 540 R HA 0.734 5.073 4.340 -0.001 0.000 0.270 540 R C -0.646 175.591 176.300 -0.106 0.000 1.074 540 R CA -0.578 55.460 56.100 -0.102 0.000 1.140 540 R CB 0.926 31.172 30.300 -0.090 0.000 1.073 540 R HN 0.595 nan 8.270 nan 0.000 0.527 541 A N 0.987 123.745 122.820 -0.104 0.000 2.384 541 A HA 0.412 4.732 4.320 -0.001 0.000 0.312 541 A C -0.806 176.638 177.584 -0.234 0.000 1.113 541 A CA -0.785 51.134 52.037 -0.196 0.000 0.779 541 A CB 1.897 20.731 19.000 -0.276 0.000 1.307 541 A HN 0.734 nan 8.150 nan 0.000 0.436 542 S N -0.309 115.227 115.700 -0.274 0.000 2.411 542 S HA 0.350 4.820 4.470 -0.001 0.000 0.294 542 S C 0.092 174.522 174.600 -0.284 0.000 1.115 542 S CA -0.277 57.799 58.200 -0.206 0.000 1.071 542 S CB -0.279 62.825 63.200 -0.162 0.000 0.967 542 S HN 0.711 nan 8.310 nan 0.000 0.488 543 H N 2.453 121.513 119.070 -0.017 0.000 2.622 543 H HA 0.227 4.783 4.556 -0.001 0.000 0.269 543 H C 0.942 176.289 175.328 0.031 0.000 0.977 543 H CA 0.680 56.731 56.048 0.006 0.000 1.179 543 H CB 0.746 30.513 29.762 0.009 0.000 1.458 543 H HN 0.694 nan 8.280 nan 0.000 0.531 544 T N -4.072 110.552 114.554 0.116 0.000 2.907 544 T HA -0.025 4.324 4.350 -0.001 0.000 0.290 544 T C 0.670 175.447 174.700 0.128 0.000 1.066 544 T CA -1.031 61.149 62.100 0.135 0.000 1.012 544 T CB 1.389 70.331 68.868 0.124 0.000 1.184 544 T HN 0.287 nan 8.240 nan 0.000 0.522 545 W N 2.516 123.817 121.300 0.000 0.000 2.388 545 W HA -0.032 4.627 4.660 -0.001 0.000 0.294 545 W C 0.311 176.818 176.519 -0.021 0.000 1.212 545 W CA 1.106 58.444 57.345 -0.011 0.000 1.271 545 W CB -0.437 29.018 29.460 -0.009 0.000 1.126 545 W HN 0.915 nan 8.180 nan 0.000 0.535 546 N N 1.709 120.531 118.700 0.203 0.000 2.513 546 N HA 0.241 4.981 4.740 -0.001 0.000 0.274 546 N C -2.183 173.314 175.510 -0.021 0.000 1.189 546 N CA -1.030 52.077 53.050 0.096 0.000 0.975 546 N CB 0.112 38.673 38.487 0.125 0.000 1.157 546 N HN -0.157 nan 8.380 nan 0.000 0.465 547 P HA 0.249 nan 4.420 nan 0.000 0.277 547 P C -0.746 176.527 177.300 -0.046 0.000 1.276 547 P CA -0.312 62.747 63.100 -0.068 0.000 0.788 547 P CB 0.917 32.574 31.700 -0.071 0.000 1.114 548 I N -1.774 118.763 120.570 -0.055 0.000 3.322 548 I HA 0.237 4.407 4.170 -0.001 0.000 0.313 548 I C 0.057 176.140 176.117 -0.056 0.000 1.129 548 I CA -1.216 60.054 61.300 -0.049 0.000 0.963 548 I CB 2.194 40.166 38.000 -0.047 0.000 1.273 548 I HN 0.288 nan 8.210 nan 0.000 0.473 549 Q N 2.791 122.555 119.800 -0.059 0.000 2.304 549 Q HA 0.242 4.581 4.340 -0.001 0.000 0.260 549 Q C -1.534 174.423 176.000 -0.072 0.000 0.965 549 Q CA -0.251 55.511 55.803 -0.070 0.000 0.898 549 Q CB 0.754 29.430 28.738 -0.103 0.000 1.196 549 Q HN 0.328 nan 8.270 nan 0.000 0.402 550 Q N 3.320 123.080 119.800 -0.067 0.000 2.397 550 Q HA 0.300 4.640 4.340 -0.001 0.000 0.275 550 Q C -0.848 175.115 176.000 -0.063 0.000 1.090 550 Q CA -0.666 55.093 55.803 -0.074 0.000 0.809 550 Q CB 2.176 30.866 28.738 -0.081 0.000 1.362 550 Q HN 0.784 nan 8.270 nan 0.000 0.431 551 M N 1.451 121.008 119.600 -0.072 0.000 2.217 551 M HA 0.350 4.829 4.480 -0.001 0.000 0.354 551 M C -0.624 175.628 176.300 -0.079 0.000 1.225 551 M CA 0.376 55.639 55.300 -0.061 0.000 1.137 551 M CB 0.693 33.253 32.600 -0.067 0.000 1.576 551 M HN 0.602 nan 8.290 nan 0.000 0.461 552 S N 4.700 120.359 115.700 -0.067 0.000 2.550 552 S HA 0.529 4.998 4.470 -0.001 0.000 0.270 552 S C -1.237 173.323 174.600 -0.068 0.000 1.145 552 S CA -0.984 57.168 58.200 -0.079 0.000 0.852 552 S CB 1.452 64.615 63.200 -0.062 0.000 1.119 552 S HN 0.847 nan 8.310 nan 0.000 0.465 553 I N 3.635 124.150 120.570 -0.091 0.000 2.428 553 I HA 0.468 4.637 4.170 -0.001 0.000 0.289 553 I C -0.544 175.559 176.117 -0.023 0.000 1.019 553 I CA -0.173 61.096 61.300 -0.051 0.000 1.351 553 I CB 0.553 38.491 38.000 -0.103 0.000 1.412 553 I HN 0.911 nan 8.210 nan 0.000 0.513 554 N N 4.354 123.059 118.700 0.007 0.000 2.902 554 N HA 0.266 5.005 4.740 -0.001 0.000 0.268 554 N C 0.126 175.621 175.510 -0.025 0.000 1.450 554 N CA -0.914 52.129 53.050 -0.012 0.000 0.819 554 N CB 1.152 39.638 38.487 -0.002 0.000 1.540 554 N HN 0.191 nan 8.380 nan 0.000 0.545 555 V N 0.052 119.952 119.914 -0.024 0.000 2.453 555 V HA -0.265 3.854 4.120 -0.001 0.000 0.252 555 V C 1.124 177.216 176.094 -0.004 0.000 1.068 555 V CA 2.176 64.460 62.300 -0.026 0.000 1.070 555 V CB -0.781 31.045 31.823 0.004 0.000 0.664 555 V HN 0.683 nan 8.190 nan 0.000 0.461 556 D N 0.605 121.015 120.400 0.016 0.000 2.103 556 D HA -0.123 4.517 4.640 -0.001 0.000 0.199 556 D C 1.880 178.204 176.300 0.041 0.000 0.978 556 D CA 1.756 55.779 54.000 0.039 0.000 0.829 556 D CB -0.380 40.441 40.800 0.034 0.000 0.981 556 D HN 0.744 nan 8.370 nan 0.000 0.464 557 N N 0.874 119.597 118.700 0.037 0.000 2.373 557 N HA -0.110 4.629 4.740 -0.001 0.000 0.181 557 N C 1.828 177.353 175.510 0.024 0.000 1.082 557 N CA -0.021 53.053 53.050 0.040 0.000 0.885 557 N CB -0.024 38.535 38.487 0.119 0.000 0.977 557 N HN 0.135 nan 8.380 nan 0.000 0.462 558 Q N 0.950 120.732 119.800 -0.031 0.000 2.207 558 Q HA -0.211 4.129 4.340 -0.001 0.000 0.215 558 Q C 0.341 176.182 176.000 -0.265 0.000 1.006 558 Q CA 1.930 57.623 55.803 -0.184 0.000 0.903 558 Q CB -0.277 28.165 28.738 -0.494 0.000 0.947 558 Q HN 0.458 nan 8.270 nan 0.000 0.414 559 F N 0.193 120.170 119.950 0.044 0.000 2.693 559 F HA 0.198 4.725 4.527 -0.001 0.000 0.303 559 F C 0.949 176.711 175.800 -0.063 0.000 1.143 559 F CA 0.209 58.219 58.000 0.018 0.000 1.389 559 F CB 0.004 39.016 39.000 0.020 0.000 1.060 559 F HN 0.190 nan 8.300 nan 0.000 0.535 560 N N -1.411 117.191 118.700 -0.163 0.000 2.336 560 N HA -0.027 4.713 4.740 -0.001 0.000 0.189 560 N C 0.159 175.409 175.510 -0.432 0.000 1.113 560 N CA 0.283 53.114 53.050 -0.365 0.000 0.858 560 N CB 0.119 38.202 38.487 -0.673 0.000 0.970 560 N HN 0.244 nan 8.380 nan 0.000 0.471 561 Y N -0.082 120.307 120.300 0.149 0.000 2.612 561 Y HA 0.395 4.944 4.550 -0.001 0.000 0.250 561 Y C -0.123 175.883 175.900 0.177 0.000 1.175 561 Y CA -0.365 57.830 58.100 0.157 0.000 1.205 561 Y CB 0.496 39.017 38.460 0.102 0.000 1.201 561 Y HN -0.237 nan 8.280 nan 0.000 0.532 562 V N 1.757 121.840 119.914 0.282 0.000 3.049 562 V HA 0.458 4.578 4.120 -0.001 0.000 0.309 562 V C -2.227 174.001 176.094 0.223 0.000 1.148 562 V CA -2.017 60.434 62.300 0.251 0.000 0.990 562 V CB 2.933 34.905 31.823 0.249 0.000 1.039 562 V HN -0.113 nan 8.190 nan 0.000 0.430 563 P HA 0.282 nan 4.420 nan 0.000 0.276 563 P C -0.964 176.398 177.300 0.103 0.000 1.261 563 P CA -0.399 62.785 63.100 0.140 0.000 0.800 563 P CB 0.916 32.682 31.700 0.111 0.000 1.066 564 N N -0.099 118.639 118.700 0.064 0.000 2.643 564 N HA 0.089 4.829 4.740 -0.001 0.000 0.305 564 N C 0.989 176.506 175.510 0.013 0.000 1.283 564 N CA -0.766 52.299 53.050 0.025 0.000 0.946 564 N CB 0.189 38.676 38.487 0.000 0.000 1.149 564 N HN 0.259 nan 8.380 nan 0.000 0.600 565 N N 0.101 118.796 118.700 -0.007 0.000 2.573 565 N HA -0.104 4.635 4.740 -0.001 0.000 0.187 565 N C 0.863 176.370 175.510 -0.005 0.000 1.107 565 N CA 0.997 54.043 53.050 -0.007 0.000 0.918 565 N CB -0.339 38.138 38.487 -0.017 0.000 0.966 565 N HN 0.658 nan 8.380 nan 0.000 0.448 566 I N -1.407 119.161 120.570 -0.003 0.000 4.082 566 I HA 0.227 4.397 4.170 -0.001 0.000 0.337 566 I C 1.009 177.128 176.117 0.003 0.000 1.352 566 I CA 0.279 61.577 61.300 -0.003 0.000 1.097 566 I CB 0.245 38.240 38.000 -0.007 0.000 1.048 566 I HN 0.258 nan 8.210 nan 0.000 0.393 567 G N 1.866 110.674 108.800 0.013 0.000 2.141 567 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.231 567 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.231 567 G C 0.405 175.324 174.900 0.032 0.000 0.984 567 G CA -0.011 45.105 45.100 0.027 0.000 0.660 567 G HN 0.495 nan 8.290 nan 0.000 0.525 568 A N 0.222 123.055 122.820 0.022 0.000 2.425 568 A HA 0.786 5.105 4.320 -0.001 0.000 0.249 568 A C 0.532 178.143 177.584 0.044 0.000 1.084 568 A CA 0.616 52.662 52.037 0.014 0.000 0.781 568 A CB 0.387 19.395 19.000 0.013 0.000 1.019 568 A HN 0.501 nan 8.150 nan 0.000 0.490 569 M N 0.919 120.533 119.600 0.024 0.000 2.704 569 M HA 0.570 5.049 4.480 -0.001 0.000 0.284 569 M C -0.543 175.849 176.300 0.153 0.000 1.275 569 M CA -0.442 54.916 55.300 0.097 0.000 0.811 569 M CB 2.419 35.037 32.600 0.029 0.000 1.741 569 M HN 0.938 nan 8.290 nan 0.000 0.458 570 K N 0.309 120.874 120.400 0.275 0.000 2.587 570 K HA 0.633 4.952 4.320 -0.001 0.000 0.276 570 K C -2.139 174.642 176.600 0.301 0.000 0.956 570 K CA -0.692 55.770 56.287 0.292 0.000 0.857 570 K CB 1.646 34.259 32.500 0.188 0.000 1.431 570 K HN 0.658 nan 8.250 nan 0.000 0.420 571 I N 2.761 123.486 120.570 0.258 0.000 2.466 571 I HA 0.190 4.359 4.170 -0.001 0.000 0.279 571 I C -0.436 175.748 176.117 0.110 0.000 1.033 571 I CA -1.234 60.170 61.300 0.173 0.000 1.123 571 I CB 1.908 39.961 38.000 0.087 0.000 1.237 571 I HN 0.349 nan 8.210 nan 0.000 0.460 572 V N 6.346 126.311 119.914 0.085 0.000 2.715 572 V HA -0.001 4.118 4.120 -0.001 0.000 0.299 572 V C -0.068 176.027 176.094 0.002 0.000 1.054 572 V CA -0.203 62.121 62.300 0.041 0.000 1.077 572 V CB 0.685 32.478 31.823 -0.050 0.000 0.972 572 V HN 0.571 nan 8.190 nan 0.000 0.484 573 Y N 3.353 123.490 120.300 -0.271 0.000 2.426 573 Y HA 0.573 5.123 4.550 -0.001 0.000 0.344 573 Y C -0.034 175.775 175.900 -0.152 0.000 1.256 573 Y CA -0.530 57.315 58.100 -0.424 0.000 1.451 573 Y CB 0.507 38.239 38.460 -1.213 0.000 1.342 573 Y HN 0.665 nan 8.280 nan 0.000 0.600 574 E N 1.316 121.456 120.200 -0.100 0.000 2.413 574 E HA 0.379 4.728 4.350 -0.001 0.000 0.277 574 E C -1.553 175.190 176.600 0.238 0.000 0.958 574 E CA -1.127 55.221 56.400 -0.088 0.000 0.779 574 E CB 1.883 31.640 29.700 0.096 0.000 1.278 574 E HN 0.638 nan 8.360 nan 0.000 0.456 575 K N 0.277 120.798 120.400 0.201 0.000 2.118 575 K HA 0.294 4.613 4.320 -0.001 0.000 0.267 575 K C 0.482 177.316 176.600 0.389 0.000 0.991 575 K CA -0.063 56.439 56.287 0.358 0.000 0.916 575 K CB 1.305 33.872 32.500 0.113 0.000 1.041 575 K HN 0.555 nan 8.250 nan 0.000 0.455 576 S N 1.443 117.379 115.700 0.393 0.000 2.502 576 S HA -0.062 4.408 4.470 -0.001 0.000 0.228 576 S C 0.556 175.210 174.600 0.090 0.000 1.061 576 S CA -0.126 58.188 58.200 0.191 0.000 0.935 576 S CB 0.082 63.389 63.200 0.178 0.000 0.809 576 S HN 0.591 nan 8.310 nan 0.000 0.510 577 Q N 2.941 122.865 119.800 0.207 0.000 3.008 577 Q HA 0.421 4.760 4.340 -0.001 0.000 0.307 577 Q C -0.708 175.469 176.000 0.294 0.000 1.273 577 Q CA -0.272 55.654 55.803 0.204 0.000 1.091 577 Q CB 0.286 29.166 28.738 0.238 0.000 1.393 577 Q HN 0.622 nan 8.270 nan 0.000 0.521 578 L N -1.454 119.865 121.223 0.159 0.000 2.262 578 L HA 0.955 5.295 4.340 -0.001 0.000 0.288 578 L C -0.436 176.450 176.870 0.027 0.000 1.035 578 L CA -0.798 54.050 54.840 0.014 0.000 0.820 578 L CB 0.677 42.705 42.059 -0.052 0.000 1.204 578 L HN 0.278 nan 8.230 nan 0.000 0.424 579 A N 4.194 127.063 122.820 0.081 0.000 0.798 579 A HA 0.286 4.606 4.320 -0.001 0.000 0.213 579 A C -3.038 174.419 177.584 -0.210 0.000 0.603 579 A CA -0.824 51.189 52.037 -0.041 0.000 0.435 579 A CB -0.533 18.440 19.000 -0.044 0.000 0.790 579 A HN 0.632 nan 8.150 nan 0.000 0.334 580 P HA 0.524 nan 4.420 nan 0.000 0.274 580 P C -0.355 176.863 177.300 -0.137 0.000 1.237 580 P CA -0.074 62.791 63.100 -0.391 0.000 0.793 580 P CB 0.988 32.647 31.700 -0.068 0.000 0.977 581 R N 1.052 121.489 120.500 -0.104 0.000 2.673 581 R HA 0.401 4.740 4.340 -0.001 0.000 0.281 581 R C -0.422 175.841 176.300 -0.062 0.000 0.991 581 R CA -0.950 55.118 56.100 -0.054 0.000 0.896 581 R CB 1.651 31.915 30.300 -0.059 0.000 1.201 581 R HN 0.433 nan 8.270 nan 0.000 0.457 582 K N 4.212 124.580 120.400 -0.053 0.000 2.218 582 K HA 0.154 4.474 4.320 -0.001 0.000 0.276 582 K C -0.159 176.371 176.600 -0.116 0.000 1.022 582 K CA -0.642 55.583 56.287 -0.104 0.000 0.946 582 K CB 1.521 33.990 32.500 -0.051 0.000 1.000 582 K HN 0.720 nan 8.250 nan 0.000 0.468 583 L N 1.991 123.118 121.223 -0.160 0.000 2.221 583 L HA 0.187 4.527 4.340 -0.001 0.000 0.202 583 L C -0.167 176.728 176.870 0.041 0.000 1.074 583 L CA 0.409 55.202 54.840 -0.078 0.000 0.795 583 L CB 0.271 42.251 42.059 -0.130 0.000 0.960 583 L HN 0.856 nan 8.230 nan 0.000 0.458 584 Y N 0.000 120.215 120.300 -0.142 0.000 2.660 584 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 584 Y CA 0.000 58.044 58.100 -0.094 0.000 1.940 584 Y CB 0.000 38.408 38.460 -0.086 0.000 1.050 584 Y HN 0.000 nan 8.280 nan 0.000 0.758