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 2a2d_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATESPATRRV QVAEHPRLLK LKEMFNSKFG SIPKFYVRAP GRVNIIGEHI DATA SEQUENCE DYCGYSVLPM AVEQDVLIAV EPVKTYALQL ANTNPLYPDF STSANNIQID DATA SEQUENCE KTKPLWHNYF LCGLKGIQEH FGLSNLTGMN CLVDGNIPPS SGLSSSSALV DATA SEQUENCE CCAGLVTLTV LGRNLSKVEL AEICAKSERY IGTEGGGMDQ SISFLAEEGT DATA SEQUENCE AKLIEFSPLR ATDVKLPSGA VFVIANSCVE MNKAATSHFN IRVMECRLAA DATA SEQUENCE KLLAKYKSLQ WDKVLRLEEV QAKLGISLEE MLLVTEDALH PEPYNPEEIC DATA SEQUENCE RCLGISLEEL RTQILSPNTQ DVLIFKLYQR AKHVYSEAAR VLQFKKICEE DATA SEQUENCE APENMVQLLG ELMNQSHMSC RDMYECSCPE LDQLVDICRK FGAQGSRLTG DATA SEQUENCE AGWGGCTVSM VPADKLPSFL ANVHKAYYQX XXXXXXXXKQ SLFATKPGGG DATA SEQUENCE ALVLLEA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.571 177.584 -0.022 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 3 T N -1.597 112.947 114.554 -0.016 0.000 3.010 3 T HA 0.206 4.556 4.350 0.001 0.000 0.257 3 T C 0.596 175.287 174.700 -0.015 0.000 1.020 3 T CA 0.496 62.586 62.100 -0.016 0.000 0.938 3 T CB -0.260 68.602 68.868 -0.010 0.000 1.049 3 T HN 0.875 nan 8.240 nan 0.000 0.522 4 E N 2.147 122.341 120.200 -0.011 0.000 2.452 4 E HA 0.265 4.615 4.350 0.001 0.000 0.261 4 E C -0.641 175.954 176.600 -0.008 0.000 0.987 4 E CA -0.162 56.234 56.400 -0.005 0.000 0.926 4 E CB 0.433 30.134 29.700 0.001 0.000 0.934 4 E HN 0.042 nan 8.360 nan 0.000 0.452 5 S N 3.255 118.953 115.700 -0.003 0.000 2.730 5 S HA 0.395 4.865 4.470 0.001 0.000 0.284 5 S C -2.255 172.361 174.600 0.027 0.000 1.153 5 S CA -1.287 56.913 58.200 -0.001 0.000 0.995 5 S CB 0.883 64.081 63.200 -0.003 0.000 1.058 5 S HN 0.564 nan 8.310 nan 0.000 0.552 6 P HA 0.230 nan 4.420 nan 0.000 0.268 6 P C -0.867 176.465 177.300 0.055 0.000 1.205 6 P CA -0.169 62.987 63.100 0.093 0.000 0.771 6 P CB 0.125 31.922 31.700 0.162 0.000 0.858 7 A N 2.819 125.668 122.820 0.049 0.000 2.327 7 A HA 0.433 4.753 4.320 0.001 0.000 0.255 7 A C 0.092 177.690 177.584 0.024 0.000 1.099 7 A CA 0.260 52.314 52.037 0.028 0.000 0.801 7 A CB -0.241 18.773 19.000 0.024 0.000 1.062 7 A HN 0.501 nan 8.150 nan 0.000 0.496 8 T N 1.291 115.851 114.554 0.010 0.000 2.991 8 T HA 0.367 4.717 4.350 0.001 0.000 0.347 8 T C -0.061 174.640 174.700 0.001 0.000 1.122 8 T CA -0.311 61.792 62.100 0.004 0.000 1.062 8 T CB 0.190 69.050 68.868 -0.013 0.000 1.043 8 T HN 0.676 nan 8.240 nan 0.000 0.491 9 R N 2.626 123.125 120.500 -0.001 0.000 2.389 9 R HA 0.366 4.707 4.340 0.001 0.000 0.295 9 R C -0.240 176.047 176.300 -0.023 0.000 1.075 9 R CA -0.387 55.704 56.100 -0.015 0.000 1.005 9 R CB 0.525 30.807 30.300 -0.030 0.000 0.987 9 R HN 0.445 nan 8.270 nan 0.000 0.452 10 R N 3.245 123.735 120.500 -0.018 0.000 2.312 10 R HA 0.342 4.682 4.340 0.001 0.000 0.311 10 R C -0.711 175.569 176.300 -0.032 0.000 1.004 10 R CA -0.628 55.463 56.100 -0.015 0.000 0.902 10 R CB 1.657 31.957 30.300 -0.001 0.000 1.073 10 R HN 0.517 nan 8.270 nan 0.000 0.457 11 V N 0.042 119.921 119.914 -0.059 0.000 3.078 11 V HA 0.496 4.616 4.120 0.001 0.000 0.311 11 V C -1.205 174.875 176.094 -0.024 0.000 1.138 11 V CA -1.193 61.055 62.300 -0.087 0.000 1.007 11 V CB 2.434 34.034 31.823 -0.372 0.000 1.045 11 V HN 0.505 nan 8.190 nan 0.000 0.432 12 Q N 1.734 121.573 119.800 0.066 0.000 2.466 12 Q HA 0.545 4.886 4.340 0.001 0.000 0.242 12 Q C 0.755 176.849 176.000 0.157 0.000 1.046 12 Q CA -0.278 55.576 55.803 0.086 0.000 0.841 12 Q CB 1.054 29.840 28.738 0.080 0.000 1.193 12 Q HN 0.682 nan 8.270 nan 0.000 0.508 13 V N 1.590 121.541 119.914 0.061 0.000 2.257 13 V HA -0.427 3.693 4.120 0.001 0.000 0.257 13 V C 1.964 178.140 176.094 0.136 0.000 1.077 13 V CA 2.640 64.966 62.300 0.043 0.000 1.063 13 V CB -0.829 30.987 31.823 -0.012 0.000 0.664 13 V HN 0.911 nan 8.190 nan 0.000 0.450 14 A N -1.040 121.831 122.820 0.085 0.000 2.032 14 A HA -0.258 4.062 4.320 0.001 0.000 0.221 14 A C 2.045 179.628 177.584 -0.001 0.000 1.165 14 A CA 2.002 54.065 52.037 0.044 0.000 0.645 14 A CB -0.498 18.518 19.000 0.027 0.000 0.807 14 A HN 0.534 nan 8.150 nan 0.000 0.453 15 E N 0.190 120.379 120.200 -0.019 0.000 2.511 15 E HA -0.006 4.344 4.350 0.001 0.000 0.196 15 E C -0.255 175.994 176.600 -0.584 0.000 1.066 15 E CA 0.324 56.558 56.400 -0.277 0.000 0.871 15 E CB -0.212 29.277 29.700 -0.352 0.000 0.863 15 E HN 0.760 nan 8.360 nan 0.000 0.520 16 H N -0.929 118.111 119.070 -0.049 0.000 2.675 16 H HA 0.175 4.731 4.556 0.001 0.000 0.258 16 H C -1.941 173.357 175.328 -0.051 0.000 1.271 16 H CA -1.921 54.092 56.048 -0.058 0.000 1.462 16 H CB 1.429 31.136 29.762 -0.091 0.000 1.467 16 H HN -0.076 nan 8.280 nan 0.000 0.501 17 P HA -0.275 nan 4.420 nan 0.000 0.219 17 P C 1.858 179.177 177.300 0.031 0.000 1.158 17 P CA 1.510 64.619 63.100 0.016 0.000 0.895 17 P CB 0.399 32.096 31.700 -0.005 0.000 0.792 18 R N -0.622 119.899 120.500 0.035 0.000 2.091 18 R HA -0.122 4.218 4.340 0.001 0.000 0.238 18 R C 2.418 178.740 176.300 0.037 0.000 1.136 18 R CA 1.312 57.432 56.100 0.033 0.000 0.959 18 R CB -0.931 29.385 30.300 0.026 0.000 0.856 18 R HN 0.148 nan 8.270 nan 0.000 0.437 19 L N 0.264 121.492 121.223 0.009 0.000 1.976 19 L HA -0.209 4.132 4.340 0.001 0.000 0.209 19 L C 2.467 179.340 176.870 0.004 0.000 1.071 19 L CA 1.122 55.917 54.840 -0.074 0.000 0.746 19 L CB -0.484 41.444 42.059 -0.218 0.000 0.890 19 L HN 0.309 nan 8.230 nan 0.000 0.432 20 L N 0.170 121.407 121.223 0.023 0.000 2.129 20 L HA -0.269 4.071 4.340 0.001 0.000 0.212 20 L C 2.500 179.419 176.870 0.081 0.000 1.087 20 L CA 1.843 56.716 54.840 0.056 0.000 0.757 20 L CB -0.514 41.573 42.059 0.047 0.000 0.896 20 L HN 0.150 nan 8.230 nan 0.000 0.434 21 K N -0.921 119.522 120.400 0.071 0.000 2.002 21 K HA -0.207 4.113 4.320 0.001 0.000 0.209 21 K C 2.120 178.787 176.600 0.113 0.000 1.048 21 K CA 1.672 58.005 56.287 0.076 0.000 0.930 21 K CB -0.354 32.180 32.500 0.057 0.000 0.714 21 K HN 0.300 nan 8.250 nan 0.000 0.438 22 L N 2.279 123.584 121.223 0.137 0.000 2.013 22 L HA -0.228 4.113 4.340 0.001 0.000 0.212 22 L C 2.265 179.293 176.870 0.263 0.000 1.073 22 L CA 1.955 56.916 54.840 0.203 0.000 0.753 22 L CB -0.759 41.440 42.059 0.233 0.000 0.890 22 L HN 0.201 nan 8.230 nan 0.000 0.432 23 K N -0.557 120.002 120.400 0.264 0.000 2.032 23 K HA -0.221 4.100 4.320 0.001 0.000 0.209 23 K C 1.898 178.632 176.600 0.224 0.000 1.048 23 K CA 1.947 58.387 56.287 0.255 0.000 0.927 23 K CB -0.162 32.471 32.500 0.221 0.000 0.712 23 K HN 0.514 nan 8.250 nan 0.000 0.441 24 E N 0.196 120.496 120.200 0.166 0.000 2.077 24 E HA -0.198 4.152 4.350 0.001 0.000 0.193 24 E C 2.049 178.732 176.600 0.139 0.000 0.989 24 E CA 1.675 58.155 56.400 0.134 0.000 0.800 24 E CB -0.125 29.629 29.700 0.090 0.000 0.746 24 E HN 0.463 nan 8.360 nan 0.000 0.452 25 M N -0.255 119.432 119.600 0.144 0.000 2.394 25 M HA -0.028 4.453 4.480 0.001 0.000 0.264 25 M C 2.009 178.386 176.300 0.130 0.000 1.073 25 M CA 0.813 56.175 55.300 0.103 0.000 1.111 25 M CB -0.192 32.459 32.600 0.084 0.000 1.401 25 M HN 0.055 nan 8.290 nan 0.000 0.448 26 F N 1.762 121.773 119.950 0.101 0.000 2.113 26 F HA -0.169 4.359 4.527 0.000 0.000 0.297 26 F C 2.111 178.022 175.800 0.185 0.000 1.103 26 F CA 1.866 59.986 58.000 0.200 0.000 1.248 26 F CB -0.376 38.728 39.000 0.172 0.000 0.999 26 F HN 0.210 nan 8.300 nan 0.000 0.475 27 N N -0.526 118.413 118.700 0.399 0.000 2.043 27 N HA -0.283 4.457 4.740 0.001 0.000 0.193 27 N C 2.160 177.715 175.510 0.076 0.000 1.037 27 N CA 1.537 54.738 53.050 0.252 0.000 0.851 27 N CB -0.295 38.312 38.487 0.200 0.000 1.027 27 N HN 0.415 nan 8.380 nan 0.000 0.422 28 S N 0.633 116.353 115.700 0.033 0.000 2.365 28 S HA -0.239 4.231 4.470 0.001 0.000 0.225 28 S C 1.945 176.454 174.600 -0.150 0.000 1.039 28 S CA 1.569 59.745 58.200 -0.040 0.000 1.033 28 S CB -0.427 62.753 63.200 -0.033 0.000 0.887 28 S HN 0.323 nan 8.310 nan 0.000 0.447 29 K N -0.230 119.994 120.400 -0.292 0.000 2.097 29 K HA 0.082 4.402 4.320 0.001 0.000 0.205 29 K C 0.982 177.088 176.600 -0.822 0.000 1.050 29 K CA 1.596 57.494 56.287 -0.647 0.000 0.938 29 K CB -0.226 31.697 32.500 -0.962 0.000 0.718 29 K HN 0.564 nan 8.250 nan 0.000 0.442 30 F N -1.628 118.131 119.950 -0.319 0.000 2.706 30 F HA 0.337 4.864 4.527 0.001 0.000 0.313 30 F C 1.224 176.949 175.800 -0.126 0.000 1.096 30 F CA 0.063 57.883 58.000 -0.298 0.000 1.219 30 F CB 1.165 39.811 39.000 -0.590 0.000 1.051 30 F HN 0.143 nan 8.300 nan 0.000 0.568 31 G N 0.541 109.382 108.800 0.069 0.000 2.168 31 G HA2 -0.257 3.703 3.960 0.001 0.000 0.263 31 G HA3 -0.257 3.703 3.960 0.001 0.000 0.263 31 G C 0.359 175.335 174.900 0.126 0.000 0.977 31 G CA 0.545 45.691 45.100 0.076 0.000 0.659 31 G HN 0.428 nan 8.290 nan 0.000 0.533 32 S N -1.088 114.742 115.700 0.216 0.000 2.720 32 S HA 0.803 5.274 4.470 0.001 0.000 0.287 32 S C -0.197 174.631 174.600 0.379 0.000 1.168 32 S CA -0.274 58.072 58.200 0.243 0.000 0.832 32 S CB 1.284 64.622 63.200 0.229 0.000 1.166 32 S HN 1.227 nan 8.310 nan 0.000 0.493 33 I N 0.256 120.956 120.570 0.217 0.000 2.607 33 I HA 0.703 4.873 4.170 0.001 0.000 0.305 33 I C -2.772 173.219 176.117 -0.210 0.000 0.995 33 I CA -2.747 58.608 61.300 0.091 0.000 1.148 33 I CB 1.515 39.549 38.000 0.056 0.000 1.323 33 I HN 0.295 nan 8.210 nan 0.000 0.461 34 P HA 0.091 nan 4.420 nan 0.000 0.268 34 P C -0.221 176.772 177.300 -0.511 0.000 1.205 34 P CA -0.158 62.317 63.100 -1.041 0.000 0.771 34 P CB 0.828 31.704 31.700 -1.372 0.000 0.858 35 K N 2.361 122.493 120.400 -0.447 0.000 2.098 35 K HA 0.030 4.350 4.320 0.001 0.000 0.203 35 K C 0.322 176.931 176.600 0.016 0.000 1.051 35 K CA 0.953 57.166 56.287 -0.124 0.000 0.957 35 K CB 0.077 32.592 32.500 0.025 0.000 0.738 35 K HN 0.557 nan 8.250 nan 0.000 0.447 36 F N -2.475 117.301 119.950 -0.290 0.000 2.745 36 F HA 0.475 5.002 4.527 0.001 0.000 0.316 36 F C -1.414 174.204 175.800 -0.303 0.000 1.155 36 F CA -1.612 56.308 58.000 -0.133 0.000 0.937 36 F CB 0.633 39.618 39.000 -0.024 0.000 1.361 36 F HN -0.288 nan 8.300 nan 0.000 0.472 37 Y N 0.007 120.385 120.300 0.131 0.000 2.662 37 Y HA 0.873 5.423 4.550 0.001 0.000 0.335 37 Y C -0.684 175.321 175.900 0.174 0.000 1.066 37 Y CA -1.821 56.298 58.100 0.032 0.000 1.116 37 Y CB 1.819 40.271 38.460 -0.014 0.000 1.308 37 Y HN 0.596 nan 8.280 nan 0.000 0.502 38 V N 0.836 120.921 119.914 0.286 0.000 3.000 38 V HA 0.676 4.797 4.120 0.001 0.000 0.300 38 V C -1.302 174.872 176.094 0.134 0.000 1.251 38 V CA -1.100 61.327 62.300 0.211 0.000 0.972 38 V CB 2.258 34.217 31.823 0.226 0.000 1.065 38 V HN 0.806 nan 8.190 nan 0.000 0.431 39 R N 2.209 122.756 120.500 0.078 0.000 2.744 39 R HA 0.991 5.332 4.340 0.001 0.000 0.279 39 R C -1.003 175.280 176.300 -0.028 0.000 0.977 39 R CA -0.539 55.579 56.100 0.029 0.000 0.906 39 R CB 2.179 32.491 30.300 0.020 0.000 1.197 39 R HN 1.305 nan 8.270 nan 0.000 0.463 40 A N 2.649 125.430 122.820 -0.066 0.000 2.466 40 A HA 0.598 4.919 4.320 0.001 0.000 0.284 40 A C -2.840 174.679 177.584 -0.109 0.000 1.049 40 A CA -1.604 50.343 52.037 -0.150 0.000 0.760 40 A CB 1.349 20.200 19.000 -0.248 0.000 1.274 40 A HN 0.659 nan 8.150 nan 0.000 0.412 41 P HA 0.440 nan 4.420 nan 0.000 0.276 41 P C 0.692 177.952 177.300 -0.068 0.000 1.252 41 P CA 0.195 63.256 63.100 -0.065 0.000 0.802 41 P CB 1.071 32.741 31.700 -0.049 0.000 1.035 42 G N 0.629 109.406 108.800 -0.039 0.000 2.574 42 G HA2 0.655 4.615 3.960 0.001 0.000 0.248 42 G HA3 0.655 4.615 3.960 0.001 0.000 0.248 42 G C -0.485 174.404 174.900 -0.018 0.000 1.422 42 G CA -0.569 44.514 45.100 -0.029 0.000 1.051 42 G HN 0.767 nan 8.290 nan 0.000 0.560 43 R N -2.936 117.561 120.500 -0.005 0.000 2.728 43 R HA 0.548 4.888 4.340 0.001 0.000 0.274 43 R C -1.528 174.768 176.300 -0.005 0.000 1.030 43 R CA -0.784 55.310 56.100 -0.010 0.000 0.876 43 R CB 1.010 31.297 30.300 -0.022 0.000 1.259 43 R HN 0.864 nan 8.270 nan 0.000 0.468 44 V N -0.168 119.728 119.914 -0.030 0.000 2.487 44 V HA 0.602 4.722 4.120 0.001 0.000 0.298 44 V C -0.774 175.264 176.094 -0.094 0.000 1.028 44 V CA -0.883 61.387 62.300 -0.049 0.000 0.860 44 V CB 1.599 33.382 31.823 -0.066 0.000 0.991 44 V HN 0.809 nan 8.190 nan 0.000 0.427 45 N N 4.169 122.820 118.700 -0.081 0.000 2.422 45 N HA 0.356 5.097 4.740 0.001 0.000 0.264 45 N C 0.768 176.182 175.510 -0.160 0.000 1.063 45 N CA -0.684 52.302 53.050 -0.107 0.000 0.959 45 N CB 1.049 39.495 38.487 -0.068 0.000 1.087 45 N HN 0.644 nan 8.380 nan 0.000 0.483 46 I N 2.961 123.375 120.570 -0.261 0.000 2.353 46 I HA 0.145 4.316 4.170 0.001 0.000 0.248 46 I C 1.019 176.965 176.117 -0.286 0.000 1.119 46 I CA 0.929 62.019 61.300 -0.351 0.000 1.417 46 I CB -0.776 36.868 38.000 -0.594 0.000 1.078 46 I HN 0.583 nan 8.210 nan 0.000 0.421 47 I N -1.376 119.020 120.570 -0.289 0.000 2.793 47 I HA 0.400 4.570 4.170 0.001 0.000 0.295 47 I C -0.873 175.143 176.117 -0.168 0.000 1.610 47 I CA -0.111 61.065 61.300 -0.207 0.000 0.986 47 I CB 2.026 39.867 38.000 -0.265 0.000 1.402 47 I HN 0.213 nan 8.210 nan 0.000 0.500 48 G N 4.381 113.117 108.800 -0.106 0.000 2.919 48 G HA2 -0.116 3.844 3.960 0.001 0.000 0.225 48 G HA3 -0.116 3.844 3.960 0.001 0.000 0.225 48 G C -0.883 173.965 174.900 -0.086 0.000 1.117 48 G CA -0.387 44.652 45.100 -0.102 0.000 1.033 48 G HN 0.663 nan 8.290 nan 0.000 0.532 49 E N 0.633 120.801 120.200 -0.053 0.000 2.283 49 E HA 0.605 4.956 4.350 0.001 0.000 0.278 49 E C 1.235 177.825 176.600 -0.017 0.000 1.027 49 E CA -0.214 56.173 56.400 -0.021 0.000 0.843 49 E CB 0.243 29.991 29.700 0.080 0.000 1.062 49 E HN 0.429 nan 8.360 nan 0.000 0.401 50 H N 2.360 121.321 119.070 -0.182 0.000 2.903 50 H HA -0.187 4.370 4.556 0.001 0.000 0.285 50 H C 0.689 175.576 175.328 -0.734 0.000 1.231 50 H CA 1.241 57.050 56.048 -0.398 0.000 1.135 50 H CB -1.349 28.121 29.762 -0.486 0.000 1.328 50 H HN 0.608 nan 8.280 nan 0.000 0.388 51 I N -2.331 117.939 120.570 -0.500 0.000 4.439 51 I HA 0.053 4.224 4.170 0.001 0.000 0.331 51 I C 1.785 177.696 176.117 -0.343 0.000 1.345 51 I CA 0.398 61.456 61.300 -0.403 0.000 1.193 51 I CB 0.358 38.244 38.000 -0.190 0.000 1.221 51 I HN -0.086 nan 8.210 nan 0.000 0.429 52 D N 2.678 122.839 120.400 -0.398 0.000 2.117 52 D HA -0.293 4.347 4.640 0.001 0.000 0.198 52 D C 1.968 177.961 176.300 -0.512 0.000 0.982 52 D CA 1.894 55.649 54.000 -0.408 0.000 0.828 52 D CB -1.144 39.483 40.800 -0.290 0.000 0.967 52 D HN 0.688 nan 8.370 nan 0.000 0.464 53 Y N -0.149 120.046 120.300 -0.175 0.000 2.632 53 Y HA 0.235 4.785 4.550 0.001 0.000 0.301 53 Y C 1.631 177.458 175.900 -0.122 0.000 1.172 53 Y CA -0.652 57.361 58.100 -0.145 0.000 1.328 53 Y CB -1.131 37.312 38.460 -0.027 0.000 1.016 53 Y HN 0.006 nan 8.280 nan 0.000 0.529 54 C N 1.010 120.156 119.300 -0.257 0.000 2.693 54 C HA 0.634 5.094 4.460 0.001 0.000 0.286 54 C C 2.052 176.903 174.990 -0.231 0.000 1.277 54 C CA 0.029 58.972 59.018 -0.126 0.000 1.705 54 C CB -0.755 26.930 27.740 -0.091 0.000 1.879 54 C HN 0.950 nan 8.230 nan 0.000 0.607 55 G N -0.204 108.455 108.800 -0.235 0.000 2.176 55 G HA2 -0.256 3.705 3.960 0.001 0.000 0.253 55 G HA3 -0.256 3.705 3.960 0.001 0.000 0.253 55 G C -0.209 174.604 174.900 -0.145 0.000 0.979 55 G CA -0.081 44.887 45.100 -0.219 0.000 0.641 55 G HN 0.518 nan 8.290 nan 0.000 0.530 56 Y N 1.668 121.994 120.300 0.045 0.000 2.320 56 Y HA 0.604 5.155 4.550 0.001 0.000 0.324 56 Y C 1.206 177.244 175.900 0.229 0.000 1.190 56 Y CA -0.268 57.888 58.100 0.093 0.000 1.215 56 Y CB 1.369 39.823 38.460 -0.011 0.000 1.221 56 Y HN 0.129 nan 8.280 nan 0.000 0.486 57 S N 1.976 117.871 115.700 0.324 0.000 2.564 57 S HA 0.484 4.954 4.470 0.001 0.000 0.278 57 S C -0.222 174.432 174.600 0.089 0.000 1.333 57 S CA -0.815 57.464 58.200 0.132 0.000 1.048 57 S CB 0.443 63.647 63.200 0.007 0.000 0.900 57 S HN 0.515 nan 8.310 nan 0.000 0.505 58 V N 0.860 120.793 119.914 0.031 0.000 3.113 58 V HA 0.751 4.871 4.120 0.001 0.000 0.316 58 V C -0.721 175.318 176.094 -0.092 0.000 1.125 58 V CA -1.075 61.218 62.300 -0.012 0.000 1.026 58 V CB 1.694 33.552 31.823 0.059 0.000 1.080 58 V HN 0.749 nan 8.190 nan 0.000 0.444 59 L N 3.431 124.568 121.223 -0.144 0.000 2.490 59 L HA 0.646 4.986 4.340 0.001 0.000 0.256 59 L C -2.720 174.016 176.870 -0.224 0.000 1.089 59 L CA -1.109 53.610 54.840 -0.201 0.000 0.916 59 L CB 2.171 44.041 42.059 -0.315 0.000 1.188 59 L HN 0.667 nan 8.230 nan 0.000 0.476 60 P HA 0.574 nan 4.420 nan 0.000 0.295 60 P C -1.688 175.528 177.300 -0.140 0.000 1.303 60 P CA -0.960 62.050 63.100 -0.150 0.000 0.907 60 P CB 2.277 33.927 31.700 -0.083 0.000 1.322 61 M N -1.295 118.228 119.600 -0.129 0.000 2.470 61 M HA 0.772 5.252 4.480 0.001 0.000 0.285 61 M C -1.439 174.824 176.300 -0.062 0.000 1.213 61 M CA -1.053 54.188 55.300 -0.099 0.000 0.901 61 M CB 2.355 34.883 32.600 -0.121 0.000 1.718 61 M HN 0.256 nan 8.290 nan 0.000 0.469 62 A N 2.593 125.389 122.820 -0.040 0.000 2.407 62 A HA 0.576 4.896 4.320 0.001 0.000 0.248 62 A C 0.257 177.837 177.584 -0.007 0.000 1.082 62 A CA -0.262 51.761 52.037 -0.025 0.000 0.785 62 A CB 0.144 19.129 19.000 -0.025 0.000 1.020 62 A HN 1.180 nan 8.150 nan 0.000 0.489 63 V N 0.238 120.157 119.914 0.008 0.000 3.234 63 V HA 0.459 4.580 4.120 0.001 0.000 0.317 63 V C 0.757 176.860 176.094 0.015 0.000 1.081 63 V CA -0.162 62.161 62.300 0.037 0.000 1.037 63 V CB 0.971 32.844 31.823 0.083 0.000 1.148 63 V HN 0.969 nan 8.190 nan 0.000 0.453 64 E N -0.603 119.604 120.200 0.013 0.000 2.190 64 E HA 0.019 4.369 4.350 0.001 0.000 0.191 64 E C 0.402 176.986 176.600 -0.026 0.000 0.978 64 E CA 0.200 56.594 56.400 -0.010 0.000 0.839 64 E CB 0.108 29.802 29.700 -0.011 0.000 0.787 64 E HN 0.783 nan 8.360 nan 0.000 0.473 65 Q N 1.553 121.331 119.800 -0.037 0.000 2.386 65 Q HA 0.024 4.365 4.340 0.001 0.000 0.282 65 Q C -0.482 175.502 176.000 -0.026 0.000 1.050 65 Q CA 0.819 56.596 55.803 -0.044 0.000 0.918 65 Q CB 0.525 29.233 28.738 -0.050 0.000 1.266 65 Q HN 0.157 nan 8.270 nan 0.000 0.423 66 D N -1.647 118.737 120.400 -0.026 0.000 2.851 66 D HA 0.437 5.077 4.640 0.001 0.000 0.339 66 D C -1.436 174.854 176.300 -0.016 0.000 1.347 66 D CA -0.717 53.268 54.000 -0.025 0.000 0.888 66 D CB 0.559 41.344 40.800 -0.025 0.000 1.431 66 D HN 0.235 nan 8.370 nan 0.000 0.509 67 V N 0.263 120.170 119.914 -0.012 0.000 2.409 67 V HA 0.571 4.692 4.120 0.001 0.000 0.291 67 V C -1.039 175.079 176.094 0.040 0.000 1.020 67 V CA -0.721 61.587 62.300 0.012 0.000 0.848 67 V CB 1.179 33.013 31.823 0.017 0.000 0.990 67 V HN 0.569 nan 8.190 nan 0.000 0.430 68 L N 7.275 128.538 121.223 0.066 0.000 2.333 68 L HA 0.710 5.050 4.340 0.001 0.000 0.280 68 L C -0.799 176.156 176.870 0.142 0.000 1.004 68 L CA 0.106 55.007 54.840 0.101 0.000 0.820 68 L CB 1.381 43.495 42.059 0.092 0.000 1.247 68 L HN 0.559 nan 8.230 nan 0.000 0.416 69 I N 5.057 125.723 120.570 0.161 0.000 2.418 69 I HA 0.603 4.773 4.170 0.001 0.000 0.287 69 I C -0.052 176.097 176.117 0.053 0.000 1.008 69 I CA -0.717 60.679 61.300 0.160 0.000 1.104 69 I CB 1.956 40.087 38.000 0.218 0.000 1.264 69 I HN 0.787 nan 8.210 nan 0.000 0.438 70 A N 6.743 129.556 122.820 -0.013 0.000 2.328 70 A HA 0.733 5.053 4.320 0.001 0.000 0.284 70 A C -0.425 176.886 177.584 -0.455 0.000 1.160 70 A CA -0.309 51.460 52.037 -0.448 0.000 0.818 70 A CB 0.619 19.393 19.000 -0.377 0.000 1.087 70 A HN 0.474 nan 8.150 nan 0.000 0.504 71 V N 2.165 121.572 119.914 -0.845 0.000 2.769 71 V HA 0.613 4.733 4.120 0.001 0.000 0.312 71 V C -0.156 175.450 176.094 -0.814 0.000 1.061 71 V CA -0.571 61.269 62.300 -0.767 0.000 0.931 71 V CB 1.858 32.949 31.823 -1.221 0.000 1.010 71 V HN 1.000 nan 8.190 nan 0.000 0.433 72 E N 4.802 124.756 120.200 -0.410 0.000 2.281 72 E HA 0.486 4.837 4.350 0.001 0.000 0.266 72 E C -2.974 173.553 176.600 -0.122 0.000 0.893 72 E CA -1.869 54.387 56.400 -0.240 0.000 0.798 72 E CB 2.925 32.613 29.700 -0.020 0.000 1.245 72 E HN 0.401 nan 8.360 nan 0.000 0.410 73 P HA 0.120 nan 4.420 nan 0.000 0.278 73 P C -0.828 176.459 177.300 -0.020 0.000 1.238 73 P CA -0.401 62.703 63.100 0.007 0.000 0.794 73 P CB 1.116 32.864 31.700 0.080 0.000 0.955 74 V N 0.198 120.090 119.914 -0.035 0.000 2.914 74 V HA 0.482 4.603 4.120 0.001 0.000 0.314 74 V C 0.928 176.972 176.094 -0.083 0.000 1.084 74 V CA -0.763 61.503 62.300 -0.058 0.000 0.963 74 V CB 2.405 34.184 31.823 -0.072 0.000 1.025 74 V HN 0.182 nan 8.190 nan 0.000 0.432 75 K N 1.095 121.434 120.400 -0.102 0.000 2.365 75 K HA 0.050 4.370 4.320 0.001 0.000 0.199 75 K C 1.177 177.606 176.600 -0.286 0.000 1.045 75 K CA 1.276 57.473 56.287 -0.151 0.000 0.962 75 K CB -0.456 31.975 32.500 -0.115 0.000 0.759 75 K HN 1.043 nan 8.250 nan 0.000 0.469 76 T N -2.147 112.251 114.554 -0.260 0.000 2.732 76 T HA 0.122 4.472 4.350 0.001 0.000 0.287 76 T C 0.969 175.410 174.700 -0.431 0.000 0.993 76 T CA -0.267 61.625 62.100 -0.347 0.000 0.966 76 T CB 0.208 68.984 68.868 -0.154 0.000 1.047 76 T HN 0.131 nan 8.240 nan 0.000 0.527 77 Y N -0.249 120.045 120.300 -0.010 0.000 2.645 77 Y HA 0.507 5.058 4.550 0.001 0.000 0.307 77 Y C 1.150 177.040 175.900 -0.017 0.000 1.151 77 Y CA -0.811 57.284 58.100 -0.007 0.000 1.291 77 Y CB -0.177 38.279 38.460 -0.006 0.000 1.135 77 Y HN 0.774 nan 8.280 nan 0.000 0.523 78 A N 1.429 124.269 122.820 0.034 0.000 2.249 78 A HA 0.535 4.855 4.320 0.001 0.000 0.314 78 A C -1.089 176.480 177.584 -0.025 0.000 1.290 78 A CA -0.561 51.472 52.037 -0.007 0.000 0.893 78 A CB 0.268 19.247 19.000 -0.034 0.000 1.165 78 A HN 0.348 nan 8.150 nan 0.000 0.530 79 L N 2.706 123.912 121.223 -0.029 0.000 2.262 79 L HA 0.442 4.783 4.340 0.001 0.000 0.288 79 L C -0.228 176.584 176.870 -0.096 0.000 1.035 79 L CA 0.376 55.194 54.840 -0.038 0.000 0.820 79 L CB 0.977 43.053 42.059 0.028 0.000 1.204 79 L HN 0.725 nan 8.230 nan 0.000 0.424 80 Q N 6.100 125.848 119.800 -0.086 0.000 2.341 80 Q HA 0.552 4.892 4.340 0.001 0.000 0.268 80 Q C -1.406 174.598 176.000 0.006 0.000 1.013 80 Q CA -0.460 55.323 55.803 -0.033 0.000 0.798 80 Q CB 2.145 30.934 28.738 0.086 0.000 1.253 80 Q HN 0.636 nan 8.270 nan 0.000 0.457 81 L N 1.579 122.824 121.223 0.036 0.000 2.317 81 L HA 0.920 5.261 4.340 0.001 0.000 0.281 81 L C -0.341 176.720 176.870 0.318 0.000 1.024 81 L CA -0.831 54.068 54.840 0.097 0.000 0.810 81 L CB 1.539 43.559 42.059 -0.064 0.000 1.240 81 L HN 0.591 nan 8.230 nan 0.000 0.427 82 A N 2.838 125.889 122.820 0.386 0.000 2.515 82 A HA 0.718 5.038 4.320 0.001 0.000 0.296 82 A C -1.401 176.338 177.584 0.258 0.000 1.094 82 A CA -0.649 51.574 52.037 0.310 0.000 0.718 82 A CB 2.132 21.198 19.000 0.110 0.000 1.307 82 A HN 0.676 nan 8.150 nan 0.000 0.408 83 N N -0.267 118.478 118.700 0.075 0.000 2.249 83 N HA 0.266 5.007 4.740 0.001 0.000 0.296 83 N C 0.850 176.338 175.510 -0.036 0.000 1.051 83 N CA 0.396 53.381 53.050 -0.108 0.000 0.815 83 N CB 2.239 40.406 38.487 -0.534 0.000 1.487 83 N HN 0.735 nan 8.380 nan 0.000 0.475 84 T N -0.538 114.011 114.554 -0.008 0.000 3.007 84 T HA -0.070 4.281 4.350 0.001 0.000 0.270 84 T C 0.688 175.387 174.700 -0.003 0.000 1.107 84 T CA 0.684 62.790 62.100 0.010 0.000 1.118 84 T CB -0.161 68.726 68.868 0.031 0.000 0.889 84 T HN 0.368 nan 8.240 nan 0.000 0.506 85 N N 2.558 121.258 118.700 -0.001 0.000 2.408 85 N HA 0.233 4.974 4.740 0.001 0.000 0.257 85 N C -1.909 173.570 175.510 -0.052 0.000 1.064 85 N CA -2.345 50.709 53.050 0.006 0.000 0.952 85 N CB 1.868 40.426 38.487 0.118 0.000 1.093 85 N HN 0.020 nan 8.380 nan 0.000 0.490 86 P HA -0.151 nan 4.420 nan 0.000 0.217 86 P C 1.436 178.650 177.300 -0.143 0.000 1.148 86 P CA 1.086 64.139 63.100 -0.078 0.000 0.834 86 P CB 0.299 31.961 31.700 -0.063 0.000 0.783 87 L N -2.990 118.067 121.223 -0.276 0.000 2.353 87 L HA -0.107 4.233 4.340 0.001 0.000 0.220 87 L C 0.621 177.152 176.870 -0.566 0.000 1.133 87 L CA 0.902 55.472 54.840 -0.450 0.000 0.798 87 L CB -0.784 40.828 42.059 -0.744 0.000 0.922 87 L HN 0.019 nan 8.230 nan 0.000 0.445 88 Y N 0.233 120.408 120.300 -0.209 0.000 2.721 88 Y HA 0.302 4.852 4.550 0.001 0.000 0.328 88 Y C -1.927 173.922 175.900 -0.085 0.000 1.003 88 Y CA -3.063 54.798 58.100 -0.398 0.000 1.275 88 Y CB 0.231 37.970 38.460 -1.203 0.000 1.097 88 Y HN -0.071 nan 8.280 nan 0.000 0.514 89 P HA -0.069 nan 4.420 nan 0.000 0.267 89 P C -0.256 177.382 177.300 0.564 0.000 1.201 89 P CA 0.019 63.339 63.100 0.368 0.000 0.775 89 P CB 0.961 32.862 31.700 0.335 0.000 0.854 90 D N 0.558 121.166 120.400 0.347 0.000 2.378 90 D HA 0.270 4.911 4.640 0.001 0.000 0.238 90 D C -0.476 176.037 176.300 0.355 0.000 1.180 90 D CA 0.703 54.903 54.000 0.332 0.000 0.895 90 D CB -0.103 40.779 40.800 0.136 0.000 1.192 90 D HN 0.287 nan 8.370 nan 0.000 0.438 91 F N 0.315 120.311 119.950 0.077 0.000 2.596 91 F HA 0.399 4.926 4.527 0.001 0.000 0.311 91 F C -1.087 174.610 175.800 -0.171 0.000 1.116 91 F CA -0.491 57.425 58.000 -0.140 0.000 0.957 91 F CB 1.283 40.018 39.000 -0.441 0.000 1.250 91 F HN 0.286 nan 8.300 nan 0.000 0.444 92 S N 3.527 118.483 115.700 -1.240 0.000 2.569 92 S HA 0.893 5.364 4.470 0.001 0.000 0.280 92 S C -0.911 173.037 174.600 -1.087 0.000 1.111 92 S CA -0.547 57.132 58.200 -0.868 0.000 0.887 92 S CB 2.020 64.987 63.200 -0.388 0.000 1.095 92 S HN 1.047 nan 8.310 nan 0.000 0.476 93 T N -0.302 113.919 114.554 -0.554 0.000 2.893 93 T HA 0.573 4.923 4.350 0.001 0.000 0.337 93 T C -0.519 174.108 174.700 -0.122 0.000 1.587 93 T CA 0.095 62.008 62.100 -0.311 0.000 1.066 93 T CB 1.173 69.948 68.868 -0.154 0.000 1.414 93 T HN 1.615 nan 8.240 nan 0.000 0.488 94 S N 1.303 116.966 115.700 -0.062 0.000 2.937 94 S HA 0.594 5.064 4.470 0.001 0.000 0.252 94 S C 0.450 175.063 174.600 0.021 0.000 1.022 94 S CA 0.115 58.321 58.200 0.010 0.000 1.079 94 S CB 0.246 63.460 63.200 0.023 0.000 1.035 94 S HN 1.082 nan 8.310 nan 0.000 0.594 95 A N 1.693 124.515 122.820 0.003 0.000 2.320 95 A HA 0.583 4.903 4.320 0.001 0.000 0.287 95 A C 0.880 178.460 177.584 -0.006 0.000 1.181 95 A CA -0.598 51.434 52.037 -0.007 0.000 0.831 95 A CB 0.139 19.137 19.000 -0.003 0.000 1.102 95 A HN 0.323 nan 8.150 nan 0.000 0.513 96 N N 1.475 120.152 118.700 -0.037 0.000 2.166 96 N HA -0.125 4.616 4.740 0.001 0.000 0.186 96 N C 0.620 176.115 175.510 -0.024 0.000 1.019 96 N CA 1.161 54.187 53.050 -0.040 0.000 0.856 96 N CB -0.423 38.017 38.487 -0.078 0.000 0.993 96 N HN 0.848 nan 8.380 nan 0.000 0.426 97 N N 1.103 119.787 118.700 -0.026 0.000 2.406 97 N HA 0.054 4.795 4.740 0.001 0.000 0.265 97 N C -0.728 174.768 175.510 -0.022 0.000 1.203 97 N CA -0.144 52.891 53.050 -0.025 0.000 0.945 97 N CB 0.226 38.700 38.487 -0.022 0.000 1.165 97 N HN 0.095 nan 8.380 nan 0.000 0.485 98 I N 2.860 123.405 120.570 -0.042 0.000 2.363 98 I HA 0.057 4.228 4.170 0.001 0.000 0.292 98 I C 0.067 176.139 176.117 -0.076 0.000 1.075 98 I CA -0.146 61.120 61.300 -0.057 0.000 1.333 98 I CB 0.755 38.702 38.000 -0.089 0.000 1.415 98 I HN 0.467 nan 8.210 nan 0.000 0.502 99 Q N 6.300 126.080 119.800 -0.033 0.000 2.430 99 Q HA 0.513 4.853 4.340 0.001 0.000 0.245 99 Q C -0.746 175.234 176.000 -0.033 0.000 1.021 99 Q CA -0.206 55.582 55.803 -0.026 0.000 0.867 99 Q CB 1.614 30.352 28.738 -0.001 0.000 1.210 99 Q HN 0.600 nan 8.270 nan 0.000 0.487 100 I N 3.451 123.982 120.570 -0.066 0.000 2.321 100 I HA 0.218 4.389 4.170 0.001 0.000 0.291 100 I C -0.640 175.443 176.117 -0.056 0.000 0.998 100 I CA -0.767 60.484 61.300 -0.081 0.000 1.227 100 I CB 1.195 39.130 38.000 -0.108 0.000 1.368 100 I HN 0.454 nan 8.210 nan 0.000 0.466 101 D N 7.133 127.490 120.400 -0.072 0.000 2.329 101 D HA 0.188 4.829 4.640 0.001 0.000 0.232 101 D C 0.151 176.399 176.300 -0.087 0.000 1.088 101 D CA -0.622 53.343 54.000 -0.058 0.000 0.835 101 D CB 1.536 42.313 40.800 -0.038 0.000 1.078 101 D HN 0.461 nan 8.370 nan 0.000 0.495 102 K N 0.116 120.482 120.400 -0.058 0.000 2.444 102 K HA -0.035 4.285 4.320 0.001 0.000 0.193 102 K C 1.794 178.366 176.600 -0.047 0.000 1.024 102 K CA 0.359 56.610 56.287 -0.060 0.000 1.077 102 K CB 0.148 32.629 32.500 -0.032 0.000 0.833 102 K HN 0.476 nan 8.250 nan 0.000 0.517 103 T N -0.960 113.571 114.554 -0.038 0.000 2.951 103 T HA -0.039 4.311 4.350 0.001 0.000 0.268 103 T C 0.954 175.641 174.700 -0.023 0.000 1.073 103 T CA 0.628 62.713 62.100 -0.024 0.000 1.134 103 T CB 0.066 68.926 68.868 -0.013 0.000 0.884 103 T HN -0.019 nan 8.240 nan 0.000 0.479 104 K N 1.662 122.039 120.400 -0.038 0.000 2.987 104 K HA 0.271 4.592 4.320 0.001 0.000 0.224 104 K C -3.230 173.324 176.600 -0.078 0.000 1.209 104 K CA -1.574 54.694 56.287 -0.031 0.000 0.971 104 K CB 1.639 34.133 32.500 -0.009 0.000 1.252 104 K HN 0.064 nan 8.250 nan 0.000 0.580 105 P HA -0.021 nan 4.420 nan 0.000 0.257 105 P C -0.607 176.628 177.300 -0.108 0.000 1.269 105 P CA 0.094 63.082 63.100 -0.188 0.000 1.122 105 P CB 0.112 31.713 31.700 -0.166 0.000 1.285 106 L N 4.050 125.116 121.223 -0.262 0.000 2.349 106 L HA 0.210 4.550 4.340 0.001 0.000 0.275 106 L C 2.099 178.758 176.870 -0.350 0.000 1.115 106 L CA -0.400 54.279 54.840 -0.268 0.000 0.820 106 L CB 0.245 41.975 42.059 -0.549 0.000 1.135 106 L HN 0.444 nan 8.230 nan 0.000 0.445 107 W N 3.606 124.863 121.300 -0.072 0.000 2.290 107 W HA -0.320 4.340 4.660 0.001 0.000 0.311 107 W C 1.798 178.318 176.519 0.001 0.000 1.238 107 W CA 2.056 59.441 57.345 0.066 0.000 1.255 107 W CB -1.132 28.325 29.460 -0.006 0.000 1.145 107 W HN 0.909 nan 8.180 nan 0.000 0.506 108 H N 0.227 118.564 119.070 -1.221 0.000 2.456 108 H HA -0.095 4.461 4.556 0.001 0.000 0.296 108 H C 1.494 176.430 175.328 -0.654 0.000 1.079 108 H CA 1.322 56.539 56.048 -1.385 0.000 1.322 108 H CB -0.919 27.797 29.762 -1.743 0.000 1.388 108 H HN 0.105 nan 8.280 nan 0.000 0.538 109 N N 0.998 119.313 118.700 -0.642 0.000 2.289 109 N HA -0.129 4.612 4.740 0.001 0.000 0.184 109 N C 1.365 176.740 175.510 -0.225 0.000 1.016 109 N CA 0.926 53.748 53.050 -0.380 0.000 0.872 109 N CB -0.466 37.716 38.487 -0.508 0.000 0.973 109 N HN 0.458 nan 8.380 nan 0.000 0.433 110 Y N -0.683 119.577 120.300 -0.066 0.000 2.263 110 Y HA -0.053 4.497 4.550 0.001 0.000 0.292 110 Y C 2.076 178.019 175.900 0.071 0.000 1.130 110 Y CA 0.500 58.613 58.100 0.022 0.000 1.179 110 Y CB -0.565 37.922 38.460 0.045 0.000 0.998 110 Y HN -0.006 nan 8.280 nan 0.000 0.532 111 F N 0.339 120.341 119.950 0.087 0.000 2.134 111 F HA -0.208 4.320 4.527 0.001 0.000 0.299 111 F C 1.849 177.670 175.800 0.035 0.000 1.097 111 F CA 1.438 59.477 58.000 0.064 0.000 1.264 111 F CB -0.566 38.445 39.000 0.018 0.000 1.001 111 F HN -0.071 nan 8.300 nan 0.000 0.479 112 L N -1.064 120.319 121.223 0.266 0.000 2.131 112 L HA -0.293 4.047 4.340 0.001 0.000 0.210 112 L C 2.647 179.535 176.870 0.029 0.000 1.092 112 L CA 1.079 56.002 54.840 0.138 0.000 0.759 112 L CB -1.073 41.001 42.059 0.026 0.000 0.903 112 L HN 0.285 nan 8.230 nan 0.000 0.435 113 C N 0.061 119.383 119.300 0.038 0.000 2.432 113 C HA -0.128 4.333 4.460 0.001 0.000 0.277 113 C C 2.935 177.988 174.990 0.104 0.000 1.249 113 C CA 1.090 60.167 59.018 0.099 0.000 1.725 113 C CB -1.449 26.394 27.740 0.173 0.000 2.028 113 C HN 0.709 nan 8.230 nan 0.000 0.477 114 G N -0.149 108.672 108.800 0.035 0.000 2.418 114 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 114 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 114 G C 1.598 176.482 174.900 -0.027 0.000 1.158 114 G CA 0.965 46.060 45.100 -0.008 0.000 0.771 114 G HN 0.550 nan 8.290 nan 0.000 0.545 115 L N 0.342 121.518 121.223 -0.079 0.000 2.044 115 L HA 0.136 4.476 4.340 0.001 0.000 0.205 115 L C 2.764 179.666 176.870 0.054 0.000 1.075 115 L CA 2.245 57.083 54.840 -0.004 0.000 0.747 115 L CB -0.314 41.791 42.059 0.077 0.000 0.903 115 L HN 0.239 nan 8.230 nan 0.000 0.435 116 K N -0.393 120.024 120.400 0.028 0.000 2.063 116 K HA -0.168 4.152 4.320 0.001 0.000 0.208 116 K C 1.917 178.554 176.600 0.063 0.000 1.048 116 K CA 1.576 57.860 56.287 -0.005 0.000 0.928 116 K CB -0.557 31.842 32.500 -0.169 0.000 0.713 116 K HN 0.502 nan 8.250 nan 0.000 0.442 117 G N 1.537 110.411 108.800 0.124 0.000 2.422 117 G HA2 -0.175 3.786 3.960 0.001 0.000 0.218 117 G HA3 -0.175 3.786 3.960 0.001 0.000 0.218 117 G C 1.460 176.430 174.900 0.116 0.000 1.146 117 G CA 0.592 45.792 45.100 0.166 0.000 0.769 117 G HN 0.202 nan 8.290 nan 0.000 0.547 118 I N 0.768 121.406 120.570 0.114 0.000 2.202 118 I HA -0.135 4.036 4.170 0.001 0.000 0.242 118 I C 2.841 179.103 176.117 0.242 0.000 1.091 118 I CA 0.990 62.386 61.300 0.160 0.000 1.368 118 I CB -1.357 36.761 38.000 0.198 0.000 1.058 118 I HN 0.322 nan 8.210 nan 0.000 0.410 119 Q N 0.578 120.497 119.800 0.198 0.000 2.077 119 Q HA -0.237 4.103 4.340 0.001 0.000 0.206 119 Q C 2.083 178.179 176.000 0.161 0.000 0.989 119 Q CA 1.732 57.653 55.803 0.197 0.000 0.853 119 Q CB -0.155 28.659 28.738 0.126 0.000 0.907 119 Q HN 0.594 nan 8.270 nan 0.000 0.418 120 E N -0.243 120.021 120.200 0.106 0.000 2.106 120 E HA -0.221 4.129 4.350 0.001 0.000 0.192 120 E C 1.889 178.488 176.600 -0.002 0.000 0.984 120 E CA 1.002 57.440 56.400 0.063 0.000 0.806 120 E CB -0.239 29.509 29.700 0.080 0.000 0.750 120 E HN 0.434 nan 8.360 nan 0.000 0.458 121 H N 0.172 119.175 119.070 -0.113 0.000 2.353 121 H HA -0.165 4.391 4.556 0.001 0.000 0.298 121 H C 1.025 176.099 175.328 -0.425 0.000 1.103 121 H CA 1.609 57.459 56.048 -0.330 0.000 1.293 121 H CB -0.097 29.326 29.762 -0.566 0.000 1.372 121 H HN 0.064 nan 8.280 nan 0.000 0.501 122 F N -0.634 119.282 119.950 -0.057 0.000 2.660 122 F HA 0.294 4.822 4.527 0.001 0.000 0.302 122 F C 1.811 177.579 175.800 -0.054 0.000 1.103 122 F CA 0.404 58.362 58.000 -0.069 0.000 1.340 122 F CB 0.219 39.236 39.000 0.028 0.000 1.048 122 F HN 0.344 nan 8.300 nan 0.000 0.551 123 G N 1.185 110.017 108.800 0.054 0.000 2.203 123 G HA2 -0.310 3.650 3.960 0.001 0.000 0.263 123 G HA3 -0.310 3.650 3.960 0.001 0.000 0.263 123 G C 0.089 175.027 174.900 0.063 0.000 1.012 123 G CA -0.035 45.089 45.100 0.039 0.000 0.749 123 G HN 0.339 nan 8.290 nan 0.000 0.512 124 L N 0.013 121.294 121.223 0.098 0.000 2.350 124 L HA 0.531 4.871 4.340 0.001 0.000 0.275 124 L C 1.374 178.276 176.870 0.053 0.000 1.099 124 L CA -0.237 54.653 54.840 0.082 0.000 0.808 124 L CB 1.614 43.742 42.059 0.115 0.000 1.149 124 L HN 0.107 nan 8.230 nan 0.000 0.442 125 S N -0.076 115.641 115.700 0.028 0.000 2.527 125 S HA 0.095 4.565 4.470 0.001 0.000 0.227 125 S C 0.553 175.148 174.600 -0.009 0.000 1.059 125 S CA -0.291 57.911 58.200 0.003 0.000 0.919 125 S CB 0.079 63.269 63.200 -0.017 0.000 0.805 125 S HN 0.618 nan 8.310 nan 0.000 0.500 126 N N 2.530 121.226 118.700 -0.007 0.000 2.492 126 N HA 0.232 4.972 4.740 0.001 0.000 0.262 126 N C -0.578 174.971 175.510 0.065 0.000 1.202 126 N CA -0.259 52.777 53.050 -0.023 0.000 0.926 126 N CB 0.219 38.707 38.487 0.002 0.000 1.078 126 N HN 0.161 nan 8.380 nan 0.000 0.454 127 L N 1.936 123.203 121.223 0.073 0.000 2.490 127 L HA 0.048 4.388 4.340 0.001 0.000 0.274 127 L C 0.200 177.188 176.870 0.197 0.000 1.201 127 L CA 0.578 55.497 54.840 0.131 0.000 0.869 127 L CB 0.169 42.301 42.059 0.121 0.000 1.123 127 L HN 0.489 nan 8.230 nan 0.000 0.484 128 T N 5.437 120.084 114.554 0.156 0.000 2.855 128 T HA 0.333 4.683 4.350 0.001 0.000 0.290 128 T C 0.539 175.310 174.700 0.120 0.000 0.941 128 T CA 0.025 62.210 62.100 0.142 0.000 1.030 128 T CB -0.318 68.635 68.868 0.141 0.000 0.935 128 T HN 0.894 nan 8.240 nan 0.000 0.564 129 G N 4.390 113.240 108.800 0.084 0.000 2.380 129 G HA2 0.504 4.465 3.960 0.001 0.000 0.242 129 G HA3 0.504 4.465 3.960 0.001 0.000 0.242 129 G C -0.182 174.726 174.900 0.012 0.000 1.298 129 G CA -0.322 44.794 45.100 0.026 0.000 0.878 129 G HN 0.804 nan 8.290 nan 0.000 0.542 130 M N 0.419 120.011 119.600 -0.013 0.000 3.015 130 M HA 0.370 4.850 4.480 0.001 0.000 0.272 130 M C -2.000 174.219 176.300 -0.135 0.000 1.085 130 M CA -1.186 54.083 55.300 -0.052 0.000 0.795 130 M CB 1.498 34.097 32.600 -0.001 0.000 1.632 130 M HN 0.265 nan 8.290 nan 0.000 0.535 131 N N 0.827 119.375 118.700 -0.254 0.000 2.342 131 N HA 0.750 5.490 4.740 0.001 0.000 0.293 131 N C -1.754 173.533 175.510 -0.372 0.000 1.026 131 N CA -0.219 52.479 53.050 -0.586 0.000 0.857 131 N CB 2.092 39.776 38.487 -1.338 0.000 1.256 131 N HN 0.755 nan 8.380 nan 0.000 0.484 132 C N 1.808 120.967 119.300 -0.236 0.000 2.609 132 C HA 0.483 4.944 4.460 0.001 0.000 0.313 132 C C -0.531 174.615 174.990 0.260 0.000 1.175 132 C CA -0.771 58.282 59.018 0.060 0.000 1.434 132 C CB 1.171 28.916 27.740 0.009 0.000 2.005 132 C HN 0.611 nan 8.230 nan 0.000 0.471 133 L N 4.289 125.752 121.223 0.400 0.000 2.294 133 L HA 0.689 5.030 4.340 0.001 0.000 0.283 133 L C -0.445 176.583 176.870 0.262 0.000 1.015 133 L CA 0.068 55.136 54.840 0.380 0.000 0.831 133 L CB 1.153 43.489 42.059 0.462 0.000 1.217 133 L HN 0.552 nan 8.230 nan 0.000 0.420 134 V N 4.454 124.499 119.914 0.218 0.000 2.546 134 V HA 0.403 4.523 4.120 0.001 0.000 0.284 134 V C -0.196 175.940 176.094 0.070 0.000 1.050 134 V CA -0.439 61.960 62.300 0.165 0.000 0.981 134 V CB 1.378 33.327 31.823 0.211 0.000 0.990 134 V HN 0.785 nan 8.190 nan 0.000 0.474 135 D N 3.278 123.721 120.400 0.071 0.000 2.375 135 D HA 0.369 5.010 4.640 0.001 0.000 0.241 135 D C -0.282 176.033 176.300 0.026 0.000 1.361 135 D CA -0.148 53.877 54.000 0.043 0.000 0.995 135 D CB 1.771 42.614 40.800 0.072 0.000 1.312 135 D HN 0.707 nan 8.370 nan 0.000 0.576 136 G N 1.924 110.719 108.800 -0.009 0.000 2.416 136 G HA2 0.352 4.313 3.960 0.001 0.000 0.329 136 G HA3 0.352 4.313 3.960 0.001 0.000 0.329 136 G C 0.509 175.405 174.900 -0.007 0.000 1.173 136 G CA -0.691 44.401 45.100 -0.014 0.000 0.929 136 G HN 0.478 nan 8.290 nan 0.000 0.475 137 N N 0.989 119.682 118.700 -0.012 0.000 2.177 137 N HA 0.101 4.842 4.740 0.001 0.000 0.218 137 N C -0.050 175.446 175.510 -0.022 0.000 1.182 137 N CA -0.330 52.709 53.050 -0.019 0.000 0.882 137 N CB 0.234 38.701 38.487 -0.032 0.000 1.052 137 N HN 0.377 nan 8.380 nan 0.000 0.519 138 I N 1.687 122.251 120.570 -0.009 0.000 2.371 138 I HA 0.271 4.442 4.170 0.001 0.000 0.290 138 I C -2.004 174.133 176.117 0.034 0.000 1.028 138 I CA -2.164 59.142 61.300 0.009 0.000 1.345 138 I CB 0.773 38.775 38.000 0.003 0.000 1.407 138 I HN -0.159 nan 8.210 nan 0.000 0.501 139 P HA 0.071 nan 4.420 nan 0.000 0.262 139 P C -2.423 174.924 177.300 0.079 0.000 1.199 139 P CA -0.926 62.226 63.100 0.086 0.000 0.763 139 P CB -0.431 31.346 31.700 0.128 0.000 0.790 140 P HA 0.001 nan 4.420 nan 0.000 0.271 140 P C -0.160 177.190 177.300 0.084 0.000 1.216 140 P CA 0.118 63.267 63.100 0.081 0.000 0.771 140 P CB 0.268 32.052 31.700 0.139 0.000 0.864 141 S N 0.518 116.255 115.700 0.062 0.000 3.559 141 S HA -0.153 4.318 4.470 0.001 0.000 0.369 141 S C 0.562 175.222 174.600 0.100 0.000 0.987 141 S CA 0.869 59.115 58.200 0.077 0.000 1.187 141 S CB -2.961 60.297 63.200 0.095 0.000 0.914 141 S HN 0.586 nan 8.310 nan 0.000 0.480 142 S N -0.330 115.425 115.700 0.091 0.000 2.846 142 S HA 0.554 5.024 4.470 0.001 0.000 0.249 142 S C 1.408 176.069 174.600 0.101 0.000 1.028 142 S CA 0.255 58.520 58.200 0.108 0.000 1.043 142 S CB 0.876 64.146 63.200 0.116 0.000 0.990 142 S HN 1.890 nan 8.310 nan 0.000 0.564 143 G N 1.434 110.289 108.800 0.091 0.000 2.175 143 G HA2 -0.209 3.751 3.960 0.001 0.000 0.244 143 G HA3 -0.209 3.751 3.960 0.001 0.000 0.244 143 G C 0.443 175.377 174.900 0.056 0.000 0.982 143 G CA 0.231 45.381 45.100 0.084 0.000 0.641 143 G HN 0.502 nan 8.290 nan 0.000 0.527 144 L N 0.237 121.491 121.223 0.051 0.000 2.728 144 L HA 0.424 4.765 4.340 0.001 0.000 0.238 144 L C 1.449 178.326 176.870 0.011 0.000 1.143 144 L CA 0.527 55.392 54.840 0.041 0.000 0.937 144 L CB 0.263 42.367 42.059 0.074 0.000 1.225 144 L HN 0.265 nan 8.230 nan 0.000 0.507 145 S N -0.311 115.385 115.700 -0.007 0.000 3.787 145 S HA -0.180 4.290 4.470 0.001 0.000 0.321 145 S C 1.546 176.106 174.600 -0.065 0.000 1.119 145 S CA 0.668 58.845 58.200 -0.038 0.000 0.918 145 S CB -1.498 61.686 63.200 -0.028 0.000 0.913 145 S HN 0.718 nan 8.310 nan 0.000 0.506 146 S N 1.120 116.778 115.700 -0.070 0.000 2.399 146 S HA -0.166 4.304 4.470 0.001 0.000 0.231 146 S C 2.141 176.637 174.600 -0.175 0.000 1.022 146 S CA 1.286 59.430 58.200 -0.092 0.000 0.983 146 S CB -0.598 62.562 63.200 -0.066 0.000 0.803 146 S HN 1.207 nan 8.310 nan 0.000 0.480 147 S N 2.067 117.615 115.700 -0.254 0.000 2.368 147 S HA -0.070 4.401 4.470 0.001 0.000 0.225 147 S C 1.966 176.431 174.600 -0.225 0.000 1.030 147 S CA 1.291 59.217 58.200 -0.457 0.000 0.999 147 S CB -1.051 61.785 63.200 -0.608 0.000 0.844 147 S HN 0.500 nan 8.310 nan 0.000 0.459 148 S N 1.958 117.585 115.700 -0.121 0.000 2.428 148 S HA 0.291 4.761 4.470 0.001 0.000 0.230 148 S C 2.209 176.766 174.600 -0.071 0.000 1.014 148 S CA 0.706 58.873 58.200 -0.055 0.000 0.957 148 S CB -0.584 62.599 63.200 -0.028 0.000 0.784 148 S HN 0.771 nan 8.310 nan 0.000 0.499 149 A N 1.535 124.301 122.820 -0.090 0.000 1.898 149 A HA 0.021 4.341 4.320 0.001 0.000 0.216 149 A C 2.064 179.606 177.584 -0.070 0.000 1.181 149 A CA 1.098 53.077 52.037 -0.097 0.000 0.620 149 A CB -0.629 18.323 19.000 -0.079 0.000 0.819 149 A HN 0.427 nan 8.150 nan 0.000 0.442 150 L N -0.086 121.108 121.223 -0.048 0.000 2.093 150 L HA -0.071 4.270 4.340 0.001 0.000 0.208 150 L C 2.309 179.194 176.870 0.025 0.000 1.085 150 L CA 1.750 56.605 54.840 0.024 0.000 0.755 150 L CB -0.626 41.462 42.059 0.049 0.000 0.904 150 L HN 0.133 nan 8.230 nan 0.000 0.435 151 V N -0.963 118.962 119.914 0.020 0.000 2.237 151 V HA -0.356 3.764 4.120 0.001 0.000 0.245 151 V C 2.639 178.739 176.094 0.010 0.000 1.046 151 V CA 2.039 64.364 62.300 0.043 0.000 1.007 151 V CB -0.705 31.174 31.823 0.094 0.000 0.638 151 V HN 0.640 nan 8.190 nan 0.000 0.445 152 C N -1.069 118.221 119.300 -0.016 0.000 2.432 152 C HA -0.208 4.253 4.460 0.001 0.000 0.277 152 C C 2.999 177.952 174.990 -0.061 0.000 1.249 152 C CA 0.851 59.843 59.018 -0.045 0.000 1.725 152 C CB -1.367 26.112 27.740 -0.435 0.000 2.028 152 C HN 0.796 nan 8.230 nan 0.000 0.477 153 C N 1.266 120.507 119.300 -0.099 0.000 2.413 153 C HA -0.092 4.369 4.460 0.001 0.000 0.276 153 C C 3.116 178.079 174.990 -0.045 0.000 1.248 153 C CA 1.469 60.462 59.018 -0.042 0.000 1.742 153 C CB -1.435 26.305 27.740 0.000 0.000 2.017 153 C HN 0.632 nan 8.230 nan 0.000 0.481 154 A N 0.040 122.752 122.820 -0.181 0.000 1.978 154 A HA 0.063 4.383 4.320 0.001 0.000 0.220 154 A C 2.380 179.774 177.584 -0.316 0.000 1.170 154 A CA 2.186 53.878 52.037 -0.576 0.000 0.636 154 A CB -1.265 17.075 19.000 -1.099 0.000 0.810 154 A HN 0.692 nan 8.150 nan 0.000 0.448 155 G N -0.306 108.444 108.800 -0.083 0.000 2.404 155 G HA2 -0.071 3.890 3.960 0.001 0.000 0.214 155 G HA3 -0.071 3.890 3.960 0.001 0.000 0.214 155 G C 1.433 176.406 174.900 0.122 0.000 1.189 155 G CA 0.990 46.118 45.100 0.048 0.000 0.789 155 G HN 0.395 nan 8.290 nan 0.000 0.533 156 L N 1.108 122.452 121.223 0.201 0.000 2.013 156 L HA -0.095 4.246 4.340 0.001 0.000 0.212 156 L C 3.026 180.007 176.870 0.185 0.000 1.073 156 L CA 1.466 56.439 54.840 0.222 0.000 0.753 156 L CB -0.942 41.267 42.059 0.250 0.000 0.890 156 L HN 0.113 nan 8.230 nan 0.000 0.432 157 V N -0.664 119.358 119.914 0.180 0.000 2.282 157 V HA -0.360 3.760 4.120 0.001 0.000 0.249 157 V C 2.504 178.752 176.094 0.256 0.000 1.057 157 V CA 2.312 64.779 62.300 0.279 0.000 1.032 157 V CB -0.987 30.957 31.823 0.201 0.000 0.645 157 V HN 0.549 nan 8.190 nan 0.000 0.447 158 T N 0.301 114.944 114.554 0.148 0.000 2.746 158 T HA -0.208 4.142 4.350 0.001 0.000 0.267 158 T C 1.867 176.657 174.700 0.150 0.000 1.039 158 T CA 1.957 64.148 62.100 0.152 0.000 1.142 158 T CB -0.348 68.583 68.868 0.105 0.000 0.866 158 T HN 0.381 nan 8.240 nan 0.000 0.444 159 L N 0.843 122.151 121.223 0.143 0.000 2.083 159 L HA -0.074 4.266 4.340 0.001 0.000 0.209 159 L C 2.423 179.313 176.870 0.034 0.000 1.083 159 L CA 1.691 56.602 54.840 0.118 0.000 0.752 159 L CB -0.946 41.201 42.059 0.146 0.000 0.899 159 L HN 0.150 nan 8.230 nan 0.000 0.433 160 T N -0.934 113.637 114.554 0.029 0.000 2.674 160 T HA -0.171 4.179 4.350 0.001 0.000 0.265 160 T C 1.947 176.580 174.700 -0.112 0.000 1.039 160 T CA 1.702 63.721 62.100 -0.135 0.000 1.150 160 T CB -0.487 68.183 68.868 -0.330 0.000 0.864 160 T HN 0.189 nan 8.240 nan 0.000 0.427 161 V N 1.846 121.832 119.914 0.120 0.000 2.250 161 V HA -0.204 3.916 4.120 0.001 0.000 0.250 161 V C 2.495 178.618 176.094 0.047 0.000 1.060 161 V CA 1.733 64.140 62.300 0.178 0.000 1.030 161 V CB -0.734 31.241 31.823 0.252 0.000 0.643 161 V HN 0.467 nan 8.190 nan 0.000 0.445 162 L N 0.090 121.327 121.223 0.024 0.000 2.265 162 L HA 0.033 4.374 4.340 0.001 0.000 0.215 162 L C 1.761 178.572 176.870 -0.099 0.000 1.117 162 L CA 1.003 55.821 54.840 -0.038 0.000 0.782 162 L CB -0.998 41.023 42.059 -0.064 0.000 0.914 162 L HN 0.630 nan 8.230 nan 0.000 0.441 163 G N 0.944 109.683 108.800 -0.102 0.000 2.273 163 G HA2 -0.275 3.685 3.960 0.001 0.000 0.280 163 G HA3 -0.275 3.685 3.960 0.001 0.000 0.280 163 G C 0.235 175.044 174.900 -0.152 0.000 1.047 163 G CA 0.118 45.145 45.100 -0.122 0.000 0.869 163 G HN 0.380 nan 8.290 nan 0.000 0.502 164 R N -0.626 119.753 120.500 -0.200 0.000 2.875 164 R HA 0.584 4.924 4.340 0.001 0.000 0.251 164 R C -0.244 175.991 176.300 -0.108 0.000 1.123 164 R CA -0.954 54.979 56.100 -0.278 0.000 1.064 164 R CB 1.019 30.855 30.300 -0.772 0.000 1.205 164 R HN 0.212 nan 8.270 nan 0.000 0.503 165 N N 0.724 119.412 118.700 -0.020 0.000 2.272 165 N HA 0.537 5.278 4.740 0.001 0.000 0.305 165 N C -1.462 174.142 175.510 0.157 0.000 1.103 165 N CA -0.379 52.704 53.050 0.055 0.000 0.791 165 N CB 1.707 40.207 38.487 0.022 0.000 1.356 165 N HN 0.324 nan 8.380 nan 0.000 0.486 166 L N 0.859 122.128 121.223 0.076 0.000 2.518 166 L HA 0.296 4.636 4.340 0.001 0.000 0.257 166 L C 0.238 177.074 176.870 -0.058 0.000 0.980 166 L CA -0.794 54.050 54.840 0.006 0.000 0.837 166 L CB 2.122 44.142 42.059 -0.064 0.000 1.410 166 L HN 0.609 nan 8.230 nan 0.000 0.410 167 S N 0.116 115.762 115.700 -0.090 0.000 2.624 167 S HA 0.291 4.761 4.470 0.001 0.000 0.263 167 S C 0.724 175.226 174.600 -0.163 0.000 1.287 167 S CA -0.520 57.625 58.200 -0.092 0.000 0.990 167 S CB 1.316 64.469 63.200 -0.077 0.000 0.950 167 S HN 0.680 nan 8.310 nan 0.000 0.561 168 K N 0.237 120.564 120.400 -0.122 0.000 2.057 168 K HA -0.060 4.260 4.320 0.001 0.000 0.207 168 K C 2.036 178.482 176.600 -0.257 0.000 1.049 168 K CA 1.253 57.434 56.287 -0.177 0.000 0.931 168 K CB -0.738 31.760 32.500 -0.004 0.000 0.714 168 K HN 0.400 nan 8.250 nan 0.000 0.440 169 V N 2.139 121.966 119.914 -0.144 0.000 2.231 169 V HA -0.323 3.798 4.120 0.001 0.000 0.248 169 V C 2.080 178.065 176.094 -0.181 0.000 1.054 169 V CA 1.975 64.204 62.300 -0.118 0.000 1.015 169 V CB -0.414 31.363 31.823 -0.076 0.000 0.638 169 V HN 0.367 nan 8.190 nan 0.000 0.444 170 E N -0.373 119.705 120.200 -0.204 0.000 2.070 170 E HA -0.282 4.069 4.350 0.001 0.000 0.197 170 E C 2.185 178.574 176.600 -0.352 0.000 1.004 170 E CA 1.711 57.958 56.400 -0.255 0.000 0.805 170 E CB -0.316 29.220 29.700 -0.273 0.000 0.744 170 E HN 0.495 nan 8.360 nan 0.000 0.451 171 L N 0.525 121.444 121.223 -0.506 0.000 2.042 171 L HA -0.241 4.099 4.340 0.001 0.000 0.210 171 L C 2.564 179.050 176.870 -0.640 0.000 1.076 171 L CA 1.276 55.654 54.840 -0.770 0.000 0.749 171 L CB -0.440 40.694 42.059 -1.541 0.000 0.893 171 L HN 0.161 nan 8.230 nan 0.000 0.432 172 A N -0.363 122.148 122.820 -0.516 0.000 1.902 172 A HA -0.229 4.091 4.320 0.001 0.000 0.217 172 A C 2.166 179.756 177.584 0.011 0.000 1.181 172 A CA 1.780 53.805 52.037 -0.021 0.000 0.623 172 A CB -0.443 18.611 19.000 0.090 0.000 0.818 172 A HN 0.489 nan 8.150 nan 0.000 0.443 173 E N -0.520 119.640 120.200 -0.068 0.000 2.106 173 E HA -0.122 4.229 4.350 0.001 0.000 0.192 173 E C 1.806 178.380 176.600 -0.044 0.000 0.984 173 E CA 1.211 57.590 56.400 -0.034 0.000 0.806 173 E CB -0.244 29.425 29.700 -0.051 0.000 0.750 173 E HN 0.704 nan 8.360 nan 0.000 0.458 174 I N 0.480 120.990 120.570 -0.100 0.000 2.353 174 I HA -0.233 3.938 4.170 0.001 0.000 0.248 174 I C 2.060 178.177 176.117 -0.001 0.000 1.119 174 I CA 0.600 61.853 61.300 -0.077 0.000 1.417 174 I CB -0.015 37.883 38.000 -0.170 0.000 1.078 174 I HN 0.203 nan 8.210 nan 0.000 0.421 175 C N 0.654 119.978 119.300 0.040 0.000 2.481 175 C HA 0.129 4.589 4.460 0.001 0.000 0.275 175 C C 2.991 178.037 174.990 0.093 0.000 1.419 175 C CA 0.393 59.480 59.018 0.114 0.000 1.773 175 C CB -1.408 26.472 27.740 0.233 0.000 1.862 175 C HN 0.537 nan 8.230 nan 0.000 0.530 176 A N 1.443 124.305 122.820 0.069 0.000 1.897 176 A HA -0.106 4.215 4.320 0.001 0.000 0.215 176 A C 2.192 179.779 177.584 0.004 0.000 1.181 176 A CA 1.228 53.296 52.037 0.051 0.000 0.620 176 A CB -0.304 18.731 19.000 0.058 0.000 0.821 176 A HN 0.645 nan 8.150 nan 0.000 0.443 177 K N 0.463 120.851 120.400 -0.021 0.000 2.031 177 K HA -0.099 4.221 4.320 0.001 0.000 0.205 177 K C 2.403 178.909 176.600 -0.157 0.000 1.049 177 K CA 1.564 57.799 56.287 -0.086 0.000 0.939 177 K CB -0.289 32.161 32.500 -0.083 0.000 0.717 177 K HN 0.595 nan 8.250 nan 0.000 0.438 178 S N 1.309 116.977 115.700 -0.054 0.000 2.399 178 S HA -0.224 4.246 4.470 0.001 0.000 0.231 178 S C 2.042 176.697 174.600 0.093 0.000 1.022 178 S CA 1.466 59.690 58.200 0.039 0.000 0.983 178 S CB -0.199 63.162 63.200 0.267 0.000 0.803 178 S HN 0.351 nan 8.310 nan 0.000 0.480 179 E N 1.574 121.812 120.200 0.064 0.000 2.153 179 E HA -0.160 4.191 4.350 0.001 0.000 0.194 179 E C 2.199 178.825 176.600 0.043 0.000 0.988 179 E CA 0.904 57.362 56.400 0.098 0.000 0.811 179 E CB -0.118 29.640 29.700 0.097 0.000 0.746 179 E HN 0.613 nan 8.360 nan 0.000 0.466 180 R N -0.610 119.856 120.500 -0.058 0.000 2.249 180 R HA -0.175 4.166 4.340 0.001 0.000 0.230 180 R C 1.833 178.087 176.300 -0.077 0.000 1.121 180 R CA 1.239 57.286 56.100 -0.087 0.000 0.997 180 R CB -0.462 29.761 30.300 -0.129 0.000 0.867 180 R HN 0.413 nan 8.270 nan 0.000 0.465 181 Y N 0.222 120.516 120.300 -0.009 0.000 2.384 181 Y HA -0.203 4.348 4.550 0.001 0.000 0.289 181 Y C 2.137 177.998 175.900 -0.065 0.000 1.152 181 Y CA 0.352 58.435 58.100 -0.029 0.000 1.258 181 Y CB -0.060 38.383 38.460 -0.028 0.000 0.979 181 Y HN 0.023 nan 8.280 nan 0.000 0.549 182 I N -0.871 119.737 120.570 0.064 0.000 2.676 182 I HA -0.080 4.090 4.170 0.001 0.000 0.259 182 I C 1.949 178.041 176.117 -0.042 0.000 1.194 182 I CA 1.655 62.914 61.300 -0.068 0.000 1.473 182 I CB -0.458 37.468 38.000 -0.124 0.000 1.096 182 I HN 0.294 nan 8.210 nan 0.000 0.443 183 G N -0.865 107.932 108.800 -0.005 0.000 2.336 183 G HA2 -0.190 3.771 3.960 0.001 0.000 0.194 183 G HA3 -0.190 3.771 3.960 0.001 0.000 0.194 183 G C 0.617 175.522 174.900 0.008 0.000 0.999 183 G CA 0.105 45.205 45.100 -0.001 0.000 0.669 183 G HN 0.561 nan 8.290 nan 0.000 0.482 184 T N -0.364 114.191 114.554 0.002 0.000 2.869 184 T HA 0.602 4.952 4.350 0.001 0.000 0.295 184 T C 0.152 174.875 174.700 0.038 0.000 0.987 184 T CA -0.176 61.928 62.100 0.005 0.000 1.109 184 T CB 1.972 70.775 68.868 -0.108 0.000 0.932 184 T HN 0.005 nan 8.240 nan 0.000 0.518 185 E N 2.173 122.452 120.200 0.131 0.000 2.411 185 E HA 0.247 4.598 4.350 0.001 0.000 0.228 185 E C 1.034 177.753 176.600 0.199 0.000 1.169 185 E CA -0.294 56.167 56.400 0.101 0.000 1.421 185 E CB 0.161 29.883 29.700 0.035 0.000 1.333 185 E HN 0.896 nan 8.360 nan 0.000 0.434 186 G N -0.311 108.652 108.800 0.271 0.000 2.611 186 G HA2 0.367 4.327 3.960 0.001 0.000 0.273 186 G HA3 0.367 4.327 3.960 0.001 0.000 0.273 186 G C 0.616 175.685 174.900 0.282 0.000 1.305 186 G CA 0.011 45.368 45.100 0.428 0.000 1.010 186 G HN 0.232 nan 8.290 nan 0.000 0.509 187 G N -1.595 107.397 108.800 0.320 0.000 2.714 187 G HA2 0.449 4.409 3.960 0.001 0.000 0.197 187 G HA3 0.449 4.409 3.960 0.001 0.000 0.197 187 G C 0.745 175.621 174.900 -0.040 0.000 1.449 187 G CA 0.210 45.333 45.100 0.038 0.000 1.065 187 G HN 1.238 nan 8.290 nan 0.000 0.575 188 G N -0.977 107.710 108.800 -0.188 0.000 3.735 188 G HA2 0.235 4.196 3.960 0.001 0.000 0.283 188 G HA3 0.235 4.196 3.960 0.001 0.000 0.283 188 G C 1.131 176.202 174.900 0.285 0.000 1.007 188 G CA 0.520 45.662 45.100 0.070 0.000 0.821 188 G HN 0.444 nan 8.290 nan 0.000 0.505 189 M N 0.566 120.311 119.600 0.241 0.000 2.086 189 M HA -0.058 4.423 4.480 0.001 0.000 0.261 189 M C 1.702 178.100 176.300 0.162 0.000 1.067 189 M CA 2.019 57.503 55.300 0.307 0.000 1.116 189 M CB -0.061 32.674 32.600 0.225 0.000 1.348 189 M HN 0.034 nan 8.290 nan 0.000 0.407 190 D N 0.462 120.925 120.400 0.104 0.000 2.133 190 D HA -0.211 4.429 4.640 0.001 0.000 0.195 190 D C 1.994 178.327 176.300 0.056 0.000 0.997 190 D CA 1.685 55.719 54.000 0.057 0.000 0.840 190 D CB -0.494 40.321 40.800 0.025 0.000 0.947 190 D HN 0.538 nan 8.370 nan 0.000 0.452 191 Q N 0.036 119.897 119.800 0.101 0.000 2.187 191 Q HA 0.080 4.420 4.340 0.001 0.000 0.199 191 Q C 2.260 178.401 176.000 0.235 0.000 0.957 191 Q CA 0.833 56.725 55.803 0.147 0.000 0.857 191 Q CB -0.012 28.846 28.738 0.199 0.000 0.929 191 Q HN 0.082 nan 8.270 nan 0.000 0.453 192 S N 0.628 116.451 115.700 0.205 0.000 2.355 192 S HA -0.125 4.345 4.470 0.001 0.000 0.222 192 S C 1.853 176.530 174.600 0.128 0.000 1.031 192 S CA 1.035 59.346 58.200 0.186 0.000 0.993 192 S CB -0.259 63.036 63.200 0.160 0.000 0.859 192 S HN 0.298 nan 8.310 nan 0.000 0.453 193 I N 1.410 122.025 120.570 0.075 0.000 2.315 193 I HA -0.104 4.066 4.170 0.001 0.000 0.248 193 I C 2.405 178.526 176.117 0.006 0.000 1.117 193 I CA 0.978 62.294 61.300 0.026 0.000 1.404 193 I CB -0.547 37.452 38.000 -0.001 0.000 1.071 193 I HN 0.189 nan 8.210 nan 0.000 0.419 194 S N -0.254 115.431 115.700 -0.024 0.000 2.359 194 S HA -0.185 4.285 4.470 0.001 0.000 0.224 194 S C 1.962 176.463 174.600 -0.165 0.000 1.035 194 S CA 1.783 59.902 58.200 -0.135 0.000 1.018 194 S CB -0.495 62.560 63.200 -0.242 0.000 0.876 194 S HN 0.520 nan 8.310 nan 0.000 0.448 195 F N 0.408 120.360 119.950 0.004 0.000 2.416 195 F HA 0.302 4.829 4.527 0.001 0.000 0.296 195 F C 1.669 177.466 175.800 -0.005 0.000 1.099 195 F CA 0.442 58.442 58.000 0.001 0.000 1.427 195 F CB 0.126 39.126 39.000 -0.001 0.000 1.079 195 F HN 0.144 nan 8.300 nan 0.000 0.536 196 L N -0.821 120.506 121.223 0.173 0.000 2.554 196 L HA 0.317 4.658 4.340 0.001 0.000 0.225 196 L C 1.287 178.182 176.870 0.041 0.000 1.104 196 L CA -0.409 54.485 54.840 0.089 0.000 0.866 196 L CB -0.492 41.601 42.059 0.056 0.000 1.047 196 L HN -0.077 nan 8.230 nan 0.000 0.468 197 A N 0.989 123.825 122.820 0.027 0.000 2.547 197 A HA 0.120 4.440 4.320 0.001 0.000 0.233 197 A C 0.090 177.679 177.584 0.009 0.000 1.067 197 A CA 0.582 52.622 52.037 0.005 0.000 0.763 197 A CB 0.085 19.079 19.000 -0.010 0.000 1.007 197 A HN 0.341 nan 8.150 nan 0.000 0.506 198 E N 0.162 120.363 120.200 0.003 0.000 2.274 198 E HA 0.220 4.570 4.350 0.001 0.000 0.269 198 E C -0.901 175.702 176.600 0.004 0.000 0.891 198 E CA -0.490 55.913 56.400 0.006 0.000 0.784 198 E CB 1.652 31.355 29.700 0.006 0.000 1.225 198 E HN 0.822 nan 8.360 nan 0.000 0.412 199 E N 1.069 121.274 120.200 0.008 0.000 2.481 199 E HA 0.007 4.358 4.350 0.001 0.000 0.263 199 E C 0.949 177.557 176.600 0.013 0.000 0.992 199 E CA 1.557 57.963 56.400 0.010 0.000 0.938 199 E CB 0.275 29.983 29.700 0.012 0.000 0.933 199 E HN 0.768 nan 8.360 nan 0.000 0.453 200 G N 2.787 111.597 108.800 0.017 0.000 2.212 200 G HA2 -0.305 3.655 3.960 0.001 0.000 0.266 200 G HA3 -0.305 3.655 3.960 0.001 0.000 0.266 200 G C 0.380 175.294 174.900 0.022 0.000 0.978 200 G CA 0.681 45.794 45.100 0.023 0.000 0.632 200 G HN 0.753 nan 8.290 nan 0.000 0.537 201 T N -0.675 113.887 114.554 0.012 0.000 2.916 201 T HA 0.817 5.167 4.350 0.001 0.000 0.292 201 T C 0.090 174.784 174.700 -0.010 0.000 1.064 201 T CA 0.815 62.920 62.100 0.008 0.000 1.011 201 T CB 1.548 70.420 68.868 0.006 0.000 1.152 201 T HN 1.524 nan 8.240 nan 0.000 0.510 202 A N 2.475 125.284 122.820 -0.018 0.000 2.288 202 A HA 0.907 5.228 4.320 0.001 0.000 0.328 202 A C -0.857 176.698 177.584 -0.048 0.000 1.123 202 A CA -0.715 51.290 52.037 -0.053 0.000 0.861 202 A CB 0.955 19.904 19.000 -0.086 0.000 1.272 202 A HN 0.825 nan 8.150 nan 0.000 0.490 203 K N 0.139 120.497 120.400 -0.071 0.000 2.469 203 K HA 0.559 4.879 4.320 0.001 0.000 0.254 203 K C -1.748 174.799 176.600 -0.089 0.000 0.939 203 K CA -0.624 55.624 56.287 -0.066 0.000 0.812 203 K CB 2.351 34.818 32.500 -0.056 0.000 1.301 203 K HN 0.478 nan 8.250 nan 0.000 0.433 204 L N 3.143 124.317 121.223 -0.083 0.000 2.264 204 L HA 0.388 4.729 4.340 0.001 0.000 0.287 204 L C -1.234 175.548 176.870 -0.147 0.000 1.039 204 L CA -0.544 54.236 54.840 -0.100 0.000 0.829 204 L CB 0.360 42.379 42.059 -0.067 0.000 1.211 204 L HN 0.513 nan 8.230 nan 0.000 0.427 205 I N 4.477 124.922 120.570 -0.208 0.000 2.353 205 I HA 0.326 4.497 4.170 0.001 0.000 0.293 205 I C 0.119 175.881 176.117 -0.591 0.000 0.992 205 I CA 0.043 61.126 61.300 -0.361 0.000 1.268 205 I CB 1.427 39.210 38.000 -0.362 0.000 1.387 205 I HN 0.614 nan 8.210 nan 0.000 0.478 206 E N 4.711 124.557 120.200 -0.589 0.000 2.249 206 E HA 0.689 5.039 4.350 0.001 0.000 0.263 206 E C -1.334 174.793 176.600 -0.789 0.000 0.950 206 E CA -0.562 55.512 56.400 -0.544 0.000 0.827 206 E CB 1.733 31.302 29.700 -0.218 0.000 1.220 206 E HN 0.287 nan 8.360 nan 0.000 0.411 207 F N 0.010 119.953 119.950 -0.012 0.000 2.611 207 F HA 0.245 4.772 4.527 0.001 0.000 0.324 207 F C 0.146 175.931 175.800 -0.025 0.000 1.061 207 F CA -1.127 56.862 58.000 -0.018 0.000 0.954 207 F CB 1.906 40.892 39.000 -0.023 0.000 1.301 207 F HN 0.489 nan 8.300 nan 0.000 0.482 208 S N 0.970 116.770 115.700 0.168 0.000 3.247 208 S HA -0.143 4.328 4.470 0.001 0.000 0.341 208 S C -2.658 171.966 174.600 0.040 0.000 0.924 208 S CA -0.702 57.544 58.200 0.076 0.000 1.323 208 S CB -2.165 61.070 63.200 0.058 0.000 0.918 208 S HN 0.401 nan 8.310 nan 0.000 0.523 209 P HA 0.514 nan 4.420 nan 0.000 0.293 209 P C -0.017 177.279 177.300 -0.007 0.000 1.291 209 P CA -1.099 62.009 63.100 0.015 0.000 0.867 209 P CB 0.831 32.529 31.700 -0.003 0.000 1.074 210 L N 3.502 124.730 121.223 0.009 0.000 2.584 210 L HA 0.161 4.502 4.340 0.001 0.000 0.272 210 L C 0.144 176.969 176.870 -0.075 0.000 1.195 210 L CA 1.176 55.997 54.840 -0.033 0.000 0.920 210 L CB -0.737 41.331 42.059 0.014 0.000 1.173 210 L HN 0.362 nan 8.230 nan 0.000 0.489 211 R N 3.227 123.642 120.500 -0.140 0.000 2.680 211 R HA 0.863 5.203 4.340 0.001 0.000 0.269 211 R C -1.623 174.587 176.300 -0.151 0.000 1.026 211 R CA -0.270 55.761 56.100 -0.114 0.000 0.889 211 R CB 1.993 32.237 30.300 -0.094 0.000 1.241 211 R HN 0.785 nan 8.270 nan 0.000 0.463 212 A N 1.023 123.783 122.820 -0.101 0.000 2.414 212 A HA 0.781 5.101 4.320 0.001 0.000 0.306 212 A C -1.159 176.386 177.584 -0.065 0.000 1.054 212 A CA -0.535 51.446 52.037 -0.094 0.000 0.724 212 A CB 2.102 21.063 19.000 -0.066 0.000 1.267 212 A HN 0.487 nan 8.150 nan 0.000 0.418 213 T N 2.016 116.534 114.554 -0.061 0.000 2.921 213 T HA 0.433 4.783 4.350 0.001 0.000 0.297 213 T C -1.145 173.538 174.700 -0.029 0.000 1.013 213 T CA -0.375 61.702 62.100 -0.039 0.000 0.990 213 T CB 1.039 69.886 68.868 -0.035 0.000 1.023 213 T HN 0.705 nan 8.240 nan 0.000 0.447 214 D N 1.573 121.963 120.400 -0.016 0.000 2.449 214 D HA 0.315 4.955 4.640 0.001 0.000 0.236 214 D C -0.350 175.952 176.300 0.003 0.000 1.149 214 D CA 0.272 54.268 54.000 -0.007 0.000 0.878 214 D CB 0.517 41.317 40.800 0.000 0.000 1.198 214 D HN 0.144 nan 8.370 nan 0.000 0.446 215 V N 2.177 122.098 119.914 0.011 0.000 2.532 215 V HA 0.158 4.279 4.120 0.001 0.000 0.294 215 V C -0.231 175.896 176.094 0.054 0.000 1.036 215 V CA -0.972 61.351 62.300 0.038 0.000 0.876 215 V CB 1.499 33.350 31.823 0.047 0.000 1.012 215 V HN 0.384 nan 8.190 nan 0.000 0.432 216 K N 4.570 125.005 120.400 0.058 0.000 2.349 216 K HA 0.416 4.737 4.320 0.001 0.000 0.288 216 K C -0.444 176.216 176.600 0.099 0.000 1.058 216 K CA -0.563 55.762 56.287 0.063 0.000 0.953 216 K CB 0.688 33.214 32.500 0.044 0.000 0.997 216 K HN 0.295 nan 8.250 nan 0.000 0.477 217 L N 4.415 125.714 121.223 0.127 0.000 2.472 217 L HA 0.211 4.551 4.340 0.001 0.000 0.260 217 L C -1.847 175.108 176.870 0.141 0.000 1.209 217 L CA -2.053 52.909 54.840 0.204 0.000 0.817 217 L CB -0.766 41.464 42.059 0.286 0.000 1.106 217 L HN 0.513 nan 8.230 nan 0.000 0.479 218 P HA 0.174 nan 4.420 nan 0.000 0.275 218 P C 0.470 177.790 177.300 0.034 0.000 1.227 218 P CA -0.306 62.819 63.100 0.041 0.000 0.781 218 P CB 0.522 32.214 31.700 -0.014 0.000 0.906 219 S N 1.449 117.153 115.700 0.006 0.000 2.383 219 S HA -0.103 4.367 4.470 0.001 0.000 0.229 219 S C 1.614 176.202 174.600 -0.020 0.000 1.030 219 S CA 1.257 59.457 58.200 -0.001 0.000 1.002 219 S CB -1.075 62.120 63.200 -0.008 0.000 0.829 219 S HN 0.606 nan 8.310 nan 0.000 0.467 220 G N 0.088 108.860 108.800 -0.046 0.000 3.651 220 G HA2 0.651 4.611 3.960 0.001 0.000 0.279 220 G HA3 0.651 4.611 3.960 0.001 0.000 0.279 220 G C -0.085 174.754 174.900 -0.100 0.000 1.024 220 G CA 0.196 45.261 45.100 -0.059 0.000 0.813 220 G HN 0.782 nan 8.290 nan 0.000 0.518 221 A N -0.031 122.701 122.820 -0.147 0.000 2.374 221 A HA 0.779 5.099 4.320 0.001 0.000 0.317 221 A C -0.780 176.627 177.584 -0.294 0.000 1.094 221 A CA -0.459 51.426 52.037 -0.254 0.000 0.765 221 A CB 2.000 20.779 19.000 -0.369 0.000 1.268 221 A HN 0.280 nan 8.150 nan 0.000 0.438 222 V N 1.212 120.944 119.914 -0.303 0.000 2.481 222 V HA 0.397 4.517 4.120 0.001 0.000 0.286 222 V C -0.680 175.186 176.094 -0.380 0.000 1.042 222 V CA -0.228 61.936 62.300 -0.226 0.000 0.928 222 V CB 0.852 32.592 31.823 -0.137 0.000 0.986 222 V HN 0.687 nan 8.190 nan 0.000 0.462 223 F N 2.992 122.907 119.950 -0.058 0.000 2.411 223 F HA 0.555 5.082 4.527 0.001 0.000 0.350 223 F C 0.134 175.881 175.800 -0.089 0.000 1.114 223 F CA -0.335 57.624 58.000 -0.068 0.000 1.135 223 F CB 1.597 40.582 39.000 -0.025 0.000 1.120 223 F HN 0.181 nan 8.300 nan 0.000 0.495 224 V N 5.872 125.790 119.914 0.007 0.000 2.483 224 V HA 0.360 4.481 4.120 0.001 0.000 0.297 224 V C -0.061 175.964 176.094 -0.115 0.000 1.027 224 V CA -0.856 61.400 62.300 -0.073 0.000 0.855 224 V CB 1.679 33.420 31.823 -0.137 0.000 0.995 224 V HN 0.503 nan 8.190 nan 0.000 0.424 225 I N 4.129 124.493 120.570 -0.344 0.000 2.371 225 I HA 0.631 4.802 4.170 0.001 0.000 0.290 225 I C 0.543 176.388 176.117 -0.453 0.000 1.028 225 I CA 0.215 61.228 61.300 -0.477 0.000 1.345 225 I CB 1.335 38.904 38.000 -0.718 0.000 1.407 225 I HN 0.727 nan 8.210 nan 0.000 0.501 226 A N 5.759 128.471 122.820 -0.179 0.000 2.357 226 A HA 0.456 4.777 4.320 0.001 0.000 0.295 226 A C -0.708 176.890 177.584 0.023 0.000 1.121 226 A CA -0.672 51.346 52.037 -0.031 0.000 0.742 226 A CB 0.834 19.878 19.000 0.073 0.000 1.181 226 A HN 0.629 nan 8.150 nan 0.000 0.454 227 N N 1.853 120.634 118.700 0.135 0.000 2.408 227 N HA 0.080 4.820 4.740 0.001 0.000 0.257 227 N C 1.373 177.026 175.510 0.239 0.000 1.064 227 N CA 0.624 53.780 53.050 0.177 0.000 0.952 227 N CB 1.453 40.060 38.487 0.200 0.000 1.093 227 N HN 0.665 nan 8.380 nan 0.000 0.490 228 S N 2.863 118.621 115.700 0.097 0.000 2.440 228 S HA -0.144 4.327 4.470 0.001 0.000 0.238 228 S C 1.009 175.807 174.600 0.329 0.000 1.010 228 S CA 1.066 59.315 58.200 0.081 0.000 0.972 228 S CB -0.515 62.721 63.200 0.060 0.000 0.774 228 S HN 0.746 nan 8.310 nan 0.000 0.501 229 C N -0.449 119.017 119.300 0.276 0.000 4.761 229 C HA -0.100 4.361 4.460 0.001 0.000 0.250 229 C C 0.203 175.304 174.990 0.186 0.000 1.232 229 C CA 0.185 59.353 59.018 0.251 0.000 1.596 229 C CB -2.732 25.179 27.740 0.285 0.000 1.604 229 C HN 0.562 nan 8.230 nan 0.000 0.685 230 V N 1.278 121.298 119.914 0.176 0.000 2.347 230 V HA 0.338 4.458 4.120 0.001 0.000 0.280 230 V C 0.299 176.483 176.094 0.150 0.000 1.021 230 V CA 0.011 62.403 62.300 0.153 0.000 0.847 230 V CB 1.607 33.524 31.823 0.156 0.000 0.990 230 V HN 0.379 nan 8.190 nan 0.000 0.444 231 E N 4.490 124.770 120.200 0.134 0.000 2.290 231 E HA 0.254 4.604 4.350 0.001 0.000 0.277 231 E C -0.357 176.327 176.600 0.141 0.000 1.035 231 E CA -0.114 56.363 56.400 0.129 0.000 0.873 231 E CB 0.761 30.526 29.700 0.108 0.000 1.029 231 E HN 0.543 nan 8.360 nan 0.000 0.419 232 M N 5.232 124.925 119.600 0.155 0.000 2.043 232 M HA 0.199 4.679 4.480 0.001 0.000 0.322 232 M C -1.314 175.069 176.300 0.138 0.000 0.962 232 M CA -0.275 55.128 55.300 0.173 0.000 0.927 232 M CB 0.800 33.558 32.600 0.263 0.000 1.466 232 M HN 0.431 nan 8.290 nan 0.000 0.412 233 N N 3.834 122.600 118.700 0.110 0.000 2.500 233 N HA 0.101 4.841 4.740 0.001 0.000 0.236 233 N C 0.402 175.959 175.510 0.077 0.000 1.022 233 N CA -0.553 52.556 53.050 0.098 0.000 0.935 233 N CB 0.916 39.467 38.487 0.107 0.000 1.147 233 N HN 0.490 nan 8.380 nan 0.000 0.512 234 K N 2.411 122.853 120.400 0.069 0.000 2.059 234 K HA -0.193 4.128 4.320 0.001 0.000 0.212 234 K C 1.687 178.294 176.600 0.012 0.000 1.050 234 K CA 1.524 57.825 56.287 0.024 0.000 0.927 234 K CB -0.882 31.563 32.500 -0.092 0.000 0.714 234 K HN 0.595 nan 8.250 nan 0.000 0.447 235 A N 0.782 123.633 122.820 0.051 0.000 2.015 235 A HA 0.091 4.411 4.320 0.001 0.000 0.219 235 A C 2.278 179.875 177.584 0.022 0.000 1.163 235 A CA 1.666 53.732 52.037 0.047 0.000 0.646 235 A CB -0.533 18.528 19.000 0.101 0.000 0.806 235 A HN 0.311 nan 8.150 nan 0.000 0.448 236 A N -0.658 122.181 122.820 0.032 0.000 2.123 236 A HA 0.292 4.612 4.320 0.001 0.000 0.214 236 A C 1.246 178.814 177.584 -0.026 0.000 1.152 236 A CA 1.493 53.537 52.037 0.012 0.000 0.728 236 A CB -0.424 18.595 19.000 0.033 0.000 0.814 236 A HN 0.814 nan 8.150 nan 0.000 0.464 237 T N -3.395 111.132 114.554 -0.044 0.000 2.991 237 T HA 0.408 4.758 4.350 0.001 0.000 0.303 237 T C 0.665 175.283 174.700 -0.136 0.000 1.015 237 T CA 0.195 62.224 62.100 -0.119 0.000 1.007 237 T CB 1.452 70.230 68.868 -0.149 0.000 1.034 237 T HN 0.332 nan 8.240 nan 0.000 0.446 238 S N 1.834 117.424 115.700 -0.184 0.000 2.420 238 S HA -0.246 4.224 4.470 0.001 0.000 0.237 238 S C 1.702 176.199 174.600 -0.171 0.000 1.023 238 S CA 1.067 59.175 58.200 -0.155 0.000 0.991 238 S CB -0.966 62.124 63.200 -0.184 0.000 0.792 238 S HN 0.832 nan 8.310 nan 0.000 0.488 239 H N 0.912 119.787 119.070 -0.325 0.000 2.297 239 H HA -0.176 4.381 4.556 0.001 0.000 0.289 239 H C 1.737 176.851 175.328 -0.357 0.000 1.105 239 H CA 1.873 57.590 56.048 -0.553 0.000 1.219 239 H CB -1.012 27.923 29.762 -1.378 0.000 1.351 239 H HN 0.565 nan 8.280 nan 0.000 0.481 240 F N 1.962 121.782 119.950 -0.217 0.000 2.069 240 F HA -0.242 4.286 4.527 0.001 0.000 0.298 240 F C 2.192 178.011 175.800 0.033 0.000 1.113 240 F CA 1.664 59.706 58.000 0.070 0.000 1.214 240 F CB -0.177 38.894 39.000 0.119 0.000 0.978 240 F HN 0.112 nan 8.300 nan 0.000 0.474 241 N N 0.711 119.502 118.700 0.151 0.000 2.381 241 N HA -0.138 4.603 4.740 0.001 0.000 0.182 241 N C 2.063 177.555 175.510 -0.029 0.000 1.025 241 N CA 1.390 54.464 53.050 0.040 0.000 0.888 241 N CB -0.380 38.150 38.487 0.071 0.000 0.965 241 N HN 0.402 nan 8.380 nan 0.000 0.438 242 I N 1.156 121.714 120.570 -0.021 0.000 2.142 242 I HA -0.219 3.951 4.170 0.001 0.000 0.240 242 I C 2.272 178.379 176.117 -0.017 0.000 1.078 242 I CA 0.988 62.285 61.300 -0.006 0.000 1.343 242 I CB -0.131 37.855 38.000 -0.023 0.000 1.046 242 I HN 0.062 nan 8.210 nan 0.000 0.405 243 R N 0.652 121.109 120.500 -0.073 0.000 2.081 243 R HA -0.112 4.229 4.340 0.001 0.000 0.235 243 R C 2.292 178.556 176.300 -0.059 0.000 1.131 243 R CA 1.168 57.204 56.100 -0.108 0.000 0.960 243 R CB -1.093 29.144 30.300 -0.105 0.000 0.856 243 R HN 0.289 nan 8.270 nan 0.000 0.436 244 V N 1.485 121.237 119.914 -0.270 0.000 2.287 244 V HA -0.292 3.828 4.120 0.001 0.000 0.248 244 V C 2.450 178.497 176.094 -0.078 0.000 1.053 244 V CA 1.984 64.078 62.300 -0.344 0.000 1.027 244 V CB -0.522 30.998 31.823 -0.504 0.000 0.646 244 V HN 0.161 nan 8.190 nan 0.000 0.447 245 M N 0.130 119.713 119.600 -0.028 0.000 2.067 245 M HA -0.172 4.309 4.480 0.001 0.000 0.260 245 M C 2.105 178.428 176.300 0.038 0.000 1.069 245 M CA 1.828 57.142 55.300 0.024 0.000 1.117 245 M CB -0.742 31.922 32.600 0.106 0.000 1.334 245 M HN 0.357 nan 8.290 nan 0.000 0.407 246 E N -1.065 119.198 120.200 0.105 0.000 2.114 246 E HA -0.281 4.070 4.350 0.001 0.000 0.199 246 E C 2.028 178.657 176.600 0.048 0.000 1.008 246 E CA 1.804 58.274 56.400 0.118 0.000 0.810 246 E CB -0.397 29.359 29.700 0.093 0.000 0.739 246 E HN 0.584 nan 8.360 nan 0.000 0.456 247 C N 0.125 119.471 119.300 0.077 0.000 2.466 247 C HA -0.020 4.441 4.460 0.001 0.000 0.278 247 C C 2.625 177.633 174.990 0.030 0.000 1.288 247 C CA 0.338 59.403 59.018 0.077 0.000 1.722 247 C CB -0.876 26.967 27.740 0.171 0.000 2.017 247 C HN 0.419 nan 8.230 nan 0.000 0.488 248 R N 1.005 121.522 120.500 0.029 0.000 2.105 248 R HA -0.111 4.230 4.340 0.001 0.000 0.239 248 R C 1.980 178.263 176.300 -0.029 0.000 1.135 248 R CA 1.490 57.596 56.100 0.010 0.000 0.967 248 R CB -0.318 29.983 30.300 0.001 0.000 0.861 248 R HN 0.500 nan 8.270 nan 0.000 0.442 249 L N 0.105 121.278 121.223 -0.083 0.000 2.056 249 L HA -0.073 4.267 4.340 0.001 0.000 0.207 249 L C 2.761 179.526 176.870 -0.175 0.000 1.078 249 L CA 1.173 55.911 54.840 -0.170 0.000 0.749 249 L CB -0.606 41.286 42.059 -0.278 0.000 0.901 249 L HN 0.340 nan 8.230 nan 0.000 0.433 250 A N 0.251 122.991 122.820 -0.134 0.000 1.883 250 A HA -0.227 4.093 4.320 0.001 0.000 0.217 250 A C 2.542 180.093 177.584 -0.055 0.000 1.186 250 A CA 1.939 53.900 52.037 -0.127 0.000 0.624 250 A CB -0.798 18.163 19.000 -0.065 0.000 0.822 250 A HN 0.409 nan 8.150 nan 0.000 0.444 251 A N -0.233 122.587 122.820 -0.001 0.000 1.883 251 A HA -0.201 4.119 4.320 0.001 0.000 0.217 251 A C 2.126 179.750 177.584 0.067 0.000 1.186 251 A CA 1.900 53.974 52.037 0.062 0.000 0.624 251 A CB -0.496 18.547 19.000 0.070 0.000 0.822 251 A HN 0.555 nan 8.150 nan 0.000 0.444 252 K N -0.891 119.532 120.400 0.039 0.000 2.032 252 K HA -0.137 4.183 4.320 0.001 0.000 0.209 252 K C 1.851 178.428 176.600 -0.039 0.000 1.048 252 K CA 1.532 57.867 56.287 0.080 0.000 0.927 252 K CB -0.433 32.079 32.500 0.020 0.000 0.712 252 K HN 0.360 nan 8.250 nan 0.000 0.441 253 L N 0.933 122.065 121.223 -0.151 0.000 2.141 253 L HA -0.159 4.182 4.340 0.001 0.000 0.209 253 L C 2.171 179.018 176.870 -0.038 0.000 1.094 253 L CA 1.168 55.897 54.840 -0.185 0.000 0.763 253 L CB -0.284 41.596 42.059 -0.299 0.000 0.908 253 L HN 0.113 nan 8.230 nan 0.000 0.437 254 L N -1.407 119.823 121.223 0.011 0.000 2.056 254 L HA -0.181 4.159 4.340 0.001 0.000 0.207 254 L C 2.701 179.670 176.870 0.166 0.000 1.078 254 L CA 1.257 56.152 54.840 0.092 0.000 0.749 254 L CB -0.832 41.296 42.059 0.114 0.000 0.901 254 L HN 0.243 nan 8.230 nan 0.000 0.433 255 A N 0.042 122.960 122.820 0.162 0.000 1.858 255 A HA -0.281 4.039 4.320 0.001 0.000 0.216 255 A C 2.269 179.990 177.584 0.229 0.000 1.190 255 A CA 2.106 54.263 52.037 0.199 0.000 0.617 255 A CB -0.548 18.593 19.000 0.235 0.000 0.827 255 A HN 0.240 nan 8.150 nan 0.000 0.443 256 K N -1.001 119.539 120.400 0.233 0.000 2.013 256 K HA -0.275 4.045 4.320 0.001 0.000 0.225 256 K C 1.780 178.484 176.600 0.174 0.000 1.056 256 K CA 2.443 58.847 56.287 0.194 0.000 0.971 256 K CB -0.946 31.504 32.500 -0.083 0.000 0.731 256 K HN 0.503 nan 8.250 nan 0.000 0.450 257 Y N 1.157 121.476 120.300 0.032 0.000 2.002 257 Y HA -0.296 4.254 4.550 0.001 0.000 0.268 257 Y C 1.472 177.403 175.900 0.051 0.000 1.177 257 Y CA 2.204 60.327 58.100 0.038 0.000 1.111 257 Y CB -0.126 38.352 38.460 0.032 0.000 0.952 257 Y HN 0.018 nan 8.280 nan 0.000 0.491 258 K N 0.943 121.444 120.400 0.169 0.000 2.611 258 K HA -0.033 4.287 4.320 0.001 0.000 0.193 258 K C 0.729 177.341 176.600 0.021 0.000 1.026 258 K CA 0.982 57.299 56.287 0.050 0.000 1.063 258 K CB -0.365 32.213 32.500 0.131 0.000 0.839 258 K HN 0.426 nan 8.250 nan 0.000 0.505 259 S N 0.385 116.108 115.700 0.038 0.000 3.682 259 S HA -0.144 4.327 4.470 0.001 0.000 0.354 259 S C 0.185 174.827 174.600 0.070 0.000 1.034 259 S CA 0.271 58.502 58.200 0.052 0.000 1.084 259 S CB -1.479 61.722 63.200 0.001 0.000 0.903 259 S HN 0.314 nan 8.310 nan 0.000 0.470 260 L N -0.487 120.802 121.223 0.109 0.000 2.585 260 L HA 0.652 4.993 4.340 0.001 0.000 0.260 260 L C 0.829 177.744 176.870 0.075 0.000 1.085 260 L CA -1.202 53.686 54.840 0.079 0.000 0.913 260 L CB 0.214 42.319 42.059 0.077 0.000 1.638 260 L HN -0.046 nan 8.230 nan 0.000 0.531 261 Q N 1.606 121.409 119.800 0.006 0.000 2.835 261 Q HA 0.045 4.386 4.340 0.001 0.000 0.235 261 Q C 0.628 176.548 176.000 -0.133 0.000 1.313 261 Q CA -0.048 55.687 55.803 -0.114 0.000 1.053 261 Q CB 0.145 28.812 28.738 -0.118 0.000 1.443 261 Q HN 0.586 nan 8.270 nan 0.000 0.576 262 W N 1.059 122.363 121.300 0.007 0.000 2.374 262 W HA -0.169 4.492 4.660 0.001 0.000 0.288 262 W C 0.580 177.096 176.519 -0.005 0.000 1.218 262 W CA 1.167 58.515 57.345 0.004 0.000 1.245 262 W CB -0.402 29.061 29.460 0.006 0.000 1.126 262 W HN 0.476 nan 8.180 nan 0.000 0.545 263 D N 2.076 121.923 120.400 -0.922 0.000 2.172 263 D HA -0.298 4.342 4.640 0.001 0.000 0.196 263 D C 2.266 178.427 176.300 -0.231 0.000 0.999 263 D CA 3.016 56.568 54.000 -0.748 0.000 0.856 263 D CB -0.303 39.958 40.800 -0.898 0.000 0.934 263 D HN 0.393 nan 8.370 nan 0.000 0.453 264 K N -0.181 120.109 120.400 -0.183 0.000 2.243 264 K HA 0.017 4.338 4.320 0.001 0.000 0.201 264 K C 0.364 176.955 176.600 -0.014 0.000 1.051 264 K CA 0.094 56.331 56.287 -0.084 0.000 0.970 264 K CB 0.007 32.457 32.500 -0.083 0.000 0.755 264 K HN -0.035 nan 8.250 nan 0.000 0.465 265 V N 2.685 122.616 119.914 0.029 0.000 2.617 265 V HA -0.071 4.050 4.120 0.001 0.000 0.304 265 V C 1.350 177.486 176.094 0.070 0.000 1.040 265 V CA 0.515 62.855 62.300 0.067 0.000 1.149 265 V CB 1.048 32.942 31.823 0.119 0.000 0.914 265 V HN 0.366 nan 8.190 nan 0.000 0.487 266 L N 3.989 125.238 121.223 0.044 0.000 2.806 266 L HA 0.353 4.693 4.340 0.001 0.000 0.242 266 L C 0.953 177.842 176.870 0.032 0.000 1.068 266 L CA 0.144 55.005 54.840 0.035 0.000 0.923 266 L CB 0.532 42.601 42.059 0.016 0.000 1.364 266 L HN 0.502 nan 8.230 nan 0.000 0.511 267 R N -0.646 119.866 120.500 0.021 0.000 2.807 267 R HA 0.377 4.718 4.340 0.001 0.000 0.276 267 R C 0.644 176.952 176.300 0.013 0.000 0.979 267 R CA -0.592 55.511 56.100 0.006 0.000 0.928 267 R CB 2.336 32.612 30.300 -0.040 0.000 1.191 267 R HN -0.067 nan 8.270 nan 0.000 0.471 268 L N 1.193 122.420 121.223 0.007 0.000 2.042 268 L HA -0.213 4.128 4.340 0.001 0.000 0.210 268 L C 2.361 179.345 176.870 0.190 0.000 1.076 268 L CA 1.424 56.305 54.840 0.069 0.000 0.749 268 L CB -0.171 41.822 42.059 -0.110 0.000 0.893 268 L HN 0.730 nan 8.230 nan 0.000 0.432 269 E N 0.522 120.657 120.200 -0.108 0.000 2.150 269 E HA -0.245 4.105 4.350 0.001 0.000 0.193 269 E C 1.845 178.403 176.600 -0.070 0.000 0.985 269 E CA 1.160 57.361 56.400 -0.332 0.000 0.814 269 E CB 0.097 29.093 29.700 -1.173 0.000 0.752 269 E HN 0.520 nan 8.360 nan 0.000 0.466 270 E N -0.202 119.969 120.200 -0.049 0.000 2.130 270 E HA -0.178 4.173 4.350 0.001 0.000 0.196 270 E C 2.140 178.768 176.600 0.047 0.000 0.998 270 E CA 1.573 57.971 56.400 -0.002 0.000 0.806 270 E CB 0.114 29.821 29.700 0.012 0.000 0.738 270 E HN 0.125 nan 8.360 nan 0.000 0.459 271 V N 0.882 120.856 119.914 0.099 0.000 2.358 271 V HA -0.253 3.867 4.120 0.001 0.000 0.246 271 V C 2.443 178.588 176.094 0.084 0.000 1.047 271 V CA 1.858 64.226 62.300 0.114 0.000 1.035 271 V CB -0.510 31.415 31.823 0.170 0.000 0.658 271 V HN 0.309 nan 8.190 nan 0.000 0.452 272 Q N 0.011 119.881 119.800 0.116 0.000 2.170 272 Q HA -0.193 4.147 4.340 0.001 0.000 0.203 272 Q C 2.212 178.246 176.000 0.057 0.000 0.976 272 Q CA 1.771 57.614 55.803 0.066 0.000 0.858 272 Q CB -0.149 28.689 28.738 0.167 0.000 0.907 272 Q HN 0.636 nan 8.270 nan 0.000 0.433 273 A N 1.346 124.201 122.820 0.057 0.000 1.841 273 A HA -0.190 4.130 4.320 0.001 0.000 0.214 273 A C 1.994 179.595 177.584 0.027 0.000 1.195 273 A CA 1.640 53.699 52.037 0.035 0.000 0.611 273 A CB -0.411 18.599 19.000 0.016 0.000 0.835 273 A HN 0.331 nan 8.150 nan 0.000 0.443 274 K N -0.449 119.969 120.400 0.030 0.000 2.160 274 K HA -0.073 4.247 4.320 0.001 0.000 0.206 274 K C 1.599 178.213 176.600 0.024 0.000 1.047 274 K CA 1.411 57.714 56.287 0.026 0.000 0.930 274 K CB -0.334 32.186 32.500 0.033 0.000 0.720 274 K HN 0.480 nan 8.250 nan 0.000 0.450 275 L N -0.796 120.443 121.223 0.026 0.000 2.446 275 L HA 0.093 4.434 4.340 0.001 0.000 0.219 275 L C 1.239 178.116 176.870 0.012 0.000 1.116 275 L CA 0.364 55.215 54.840 0.019 0.000 0.844 275 L CB -0.132 41.937 42.059 0.017 0.000 0.970 275 L HN 0.412 nan 8.230 nan 0.000 0.457 276 G N 1.599 110.408 108.800 0.014 0.000 2.203 276 G HA2 -0.307 3.653 3.960 0.001 0.000 0.263 276 G HA3 -0.307 3.653 3.960 0.001 0.000 0.263 276 G C 0.286 175.190 174.900 0.007 0.000 1.012 276 G CA 0.847 45.954 45.100 0.012 0.000 0.749 276 G HN 0.473 nan 8.290 nan 0.000 0.512 277 I N -1.452 119.118 120.570 -0.000 0.000 3.062 277 I HA 0.842 5.012 4.170 0.001 0.000 0.316 277 I C 0.831 176.938 176.117 -0.016 0.000 1.041 277 I CA -0.612 60.681 61.300 -0.012 0.000 1.069 277 I CB 1.493 39.477 38.000 -0.026 0.000 1.300 277 I HN 0.254 nan 8.210 nan 0.000 0.518 278 S N 1.527 117.210 115.700 -0.027 0.000 2.693 278 S HA 0.459 4.929 4.470 0.001 0.000 0.276 278 S C 0.872 175.430 174.600 -0.069 0.000 1.192 278 S CA -0.766 57.417 58.200 -0.030 0.000 0.994 278 S CB 1.157 64.342 63.200 -0.025 0.000 1.012 278 S HN 0.725 nan 8.310 nan 0.000 0.550 279 L N 0.966 122.148 121.223 -0.069 0.000 2.012 279 L HA -0.143 4.197 4.340 0.001 0.000 0.210 279 L C 2.869 179.667 176.870 -0.120 0.000 1.073 279 L CA 1.676 56.447 54.840 -0.115 0.000 0.748 279 L CB -0.723 41.268 42.059 -0.113 0.000 0.891 279 L HN 0.784 nan 8.230 nan 0.000 0.431 280 E N 0.534 120.689 120.200 -0.076 0.000 2.038 280 E HA -0.264 4.087 4.350 0.001 0.000 0.195 280 E C 1.762 178.322 176.600 -0.067 0.000 1.000 280 E CA 1.587 57.953 56.400 -0.058 0.000 0.803 280 E CB -0.689 28.990 29.700 -0.035 0.000 0.750 280 E HN 0.607 nan 8.360 nan 0.000 0.448 281 E N 0.400 120.560 120.200 -0.066 0.000 2.118 281 E HA -0.136 4.214 4.350 0.001 0.000 0.195 281 E C 2.122 178.662 176.600 -0.101 0.000 0.992 281 E CA 0.905 57.268 56.400 -0.060 0.000 0.804 281 E CB -0.218 29.455 29.700 -0.045 0.000 0.741 281 E HN 0.137 nan 8.360 nan 0.000 0.458 282 M N 0.610 120.097 119.600 -0.187 0.000 2.279 282 M HA -0.097 4.384 4.480 0.001 0.000 0.264 282 M C 2.157 178.276 176.300 -0.303 0.000 1.062 282 M CA 1.111 56.199 55.300 -0.354 0.000 1.099 282 M CB -0.443 31.745 32.600 -0.687 0.000 1.394 282 M HN 0.173 nan 8.290 nan 0.000 0.426 283 L N -0.702 120.416 121.223 -0.176 0.000 2.141 283 L HA -0.210 4.130 4.340 0.001 0.000 0.209 283 L C 2.189 179.042 176.870 -0.028 0.000 1.094 283 L CA 0.779 55.577 54.840 -0.071 0.000 0.763 283 L CB -0.432 41.604 42.059 -0.038 0.000 0.908 283 L HN 0.266 nan 8.230 nan 0.000 0.437 284 L N -1.644 119.564 121.223 -0.026 0.000 2.109 284 L HA -0.140 4.200 4.340 0.001 0.000 0.207 284 L C 2.463 179.345 176.870 0.019 0.000 1.086 284 L CA 0.480 55.326 54.840 0.011 0.000 0.760 284 L CB -0.548 41.518 42.059 0.011 0.000 0.910 284 L HN -0.001 nan 8.230 nan 0.000 0.437 285 V N -0.198 119.713 119.914 -0.005 0.000 2.233 285 V HA -0.327 3.793 4.120 0.001 0.000 0.247 285 V C 2.614 178.695 176.094 -0.021 0.000 1.050 285 V CA 2.555 64.867 62.300 0.020 0.000 1.010 285 V CB -0.804 31.025 31.823 0.010 0.000 0.637 285 V HN 0.469 nan 8.190 nan 0.000 0.444 286 T N -0.471 114.075 114.554 -0.015 0.000 2.624 286 T HA -0.311 4.039 4.350 0.001 0.000 0.268 286 T C 1.903 176.645 174.700 0.071 0.000 1.041 286 T CA 2.104 64.217 62.100 0.022 0.000 1.159 286 T CB -0.362 68.539 68.868 0.054 0.000 0.863 286 T HN 0.522 nan 8.240 nan 0.000 0.434 287 E N 0.929 121.190 120.200 0.101 0.000 2.209 287 E HA -0.157 4.194 4.350 0.001 0.000 0.196 287 E C 1.666 178.326 176.600 0.100 0.000 0.993 287 E CA 1.317 57.839 56.400 0.202 0.000 0.819 287 E CB -0.221 29.567 29.700 0.147 0.000 0.745 287 E HN 0.415 nan 8.360 nan 0.000 0.477 288 D N -1.105 119.297 120.400 0.004 0.000 2.259 288 D HA 0.103 4.743 4.640 0.001 0.000 0.216 288 D C 1.683 177.800 176.300 -0.305 0.000 0.961 288 D CA 1.270 55.236 54.000 -0.056 0.000 0.878 288 D CB -0.362 40.460 40.800 0.036 0.000 1.009 288 D HN 0.260 nan 8.370 nan 0.000 0.490 289 A N 0.382 122.867 122.820 -0.558 0.000 1.930 289 A HA 0.043 4.363 4.320 0.001 0.000 0.217 289 A C 1.078 178.464 177.584 -0.329 0.000 1.175 289 A CA 0.710 52.187 52.037 -0.933 0.000 0.627 289 A CB -0.215 18.273 19.000 -0.853 0.000 0.815 289 A HN 0.165 nan 8.150 nan 0.000 0.443 290 L N 0.788 121.965 121.223 -0.076 0.000 2.322 290 L HA 0.391 4.732 4.340 0.001 0.000 0.281 290 L C -0.428 176.546 176.870 0.174 0.000 1.014 290 L CA -1.247 53.641 54.840 0.079 0.000 0.815 290 L CB 1.583 43.711 42.059 0.114 0.000 1.247 290 L HN 0.561 nan 8.230 nan 0.000 0.421 291 H N 1.775 120.987 119.070 0.236 0.000 2.610 291 H HA 0.275 4.832 4.556 0.001 0.000 0.336 291 H C -2.324 172.987 175.328 -0.028 0.000 1.087 291 H CA -2.312 53.734 56.048 -0.003 0.000 1.405 291 H CB 0.293 29.982 29.762 -0.121 0.000 1.460 291 H HN 0.259 nan 8.280 nan 0.000 0.538 292 P HA -0.206 nan 4.420 nan 0.000 0.213 292 P C 0.223 177.563 177.300 0.068 0.000 1.170 292 P CA 1.491 64.429 63.100 -0.269 0.000 0.902 292 P CB -0.050 31.435 31.700 -0.359 0.000 0.789 293 E N 1.364 121.608 120.200 0.074 0.000 2.467 293 E HA -0.015 4.336 4.350 0.001 0.000 0.264 293 E C -2.335 174.403 176.600 0.230 0.000 1.020 293 E CA -1.584 54.858 56.400 0.069 0.000 0.945 293 E CB -1.004 28.645 29.700 -0.086 0.000 0.942 293 E HN 0.153 nan 8.360 nan 0.000 0.449 294 P HA 0.036 nan 4.420 nan 0.000 0.269 294 P C -0.925 176.528 177.300 0.254 0.000 1.209 294 P CA 0.244 63.473 63.100 0.215 0.000 0.776 294 P CB 0.069 31.844 31.700 0.124 0.000 0.876 295 Y N 1.441 121.864 120.300 0.204 0.000 2.320 295 Y HA 0.292 4.843 4.550 0.001 0.000 0.324 295 Y C 1.245 177.289 175.900 0.240 0.000 1.190 295 Y CA 0.355 58.578 58.100 0.205 0.000 1.215 295 Y CB 0.746 39.249 38.460 0.072 0.000 1.221 295 Y HN 0.419 nan 8.280 nan 0.000 0.486 296 N N 1.216 120.115 118.700 0.332 0.000 2.402 296 N HA 0.489 5.230 4.740 0.001 0.000 0.294 296 N C -2.689 172.974 175.510 0.256 0.000 1.203 296 N CA -2.062 51.161 53.050 0.289 0.000 0.838 296 N CB 1.782 40.361 38.487 0.153 0.000 1.306 296 N HN 0.073 nan 8.380 nan 0.000 0.510 297 P HA -0.191 nan 4.420 nan 0.000 0.216 297 P C 0.477 177.824 177.300 0.078 0.000 1.153 297 P CA 1.633 64.826 63.100 0.154 0.000 0.858 297 P CB 0.186 31.999 31.700 0.189 0.000 0.789 298 E N -0.328 119.920 120.200 0.080 0.000 2.047 298 E HA -0.202 4.148 4.350 0.001 0.000 0.191 298 E C 2.191 178.821 176.600 0.051 0.000 0.987 298 E CA 0.921 57.352 56.400 0.051 0.000 0.799 298 E CB -0.423 29.303 29.700 0.043 0.000 0.752 298 E HN 0.407 nan 8.360 nan 0.000 0.449 299 E N 1.240 121.486 120.200 0.077 0.000 2.085 299 E HA -0.232 4.119 4.350 0.001 0.000 0.194 299 E C 2.080 178.749 176.600 0.114 0.000 0.994 299 E CA 1.105 57.563 56.400 0.097 0.000 0.801 299 E CB -0.133 29.642 29.700 0.124 0.000 0.743 299 E HN 0.211 nan 8.360 nan 0.000 0.453 300 I N 0.578 121.215 120.570 0.111 0.000 2.127 300 I HA -0.382 3.788 4.170 0.001 0.000 0.241 300 I C 2.635 178.712 176.117 -0.068 0.000 1.075 300 I CA 1.136 62.443 61.300 0.011 0.000 1.334 300 I CB -0.331 37.611 38.000 -0.096 0.000 1.040 300 I HN 0.383 nan 8.210 nan 0.000 0.405 301 C N 0.141 119.413 119.300 -0.047 0.000 2.401 301 C HA -0.207 4.253 4.460 0.001 0.000 0.276 301 C C 2.921 177.884 174.990 -0.044 0.000 1.233 301 C CA 1.014 60.001 59.018 -0.051 0.000 1.753 301 C CB -1.259 26.473 27.740 -0.013 0.000 2.029 301 C HN 0.412 nan 8.230 nan 0.000 0.478 302 R N -0.235 120.257 120.500 -0.014 0.000 2.088 302 R HA -0.189 4.151 4.340 0.001 0.000 0.232 302 R C 2.248 178.535 176.300 -0.022 0.000 1.136 302 R CA 2.446 58.546 56.100 -0.000 0.000 0.926 302 R CB -0.729 29.586 30.300 0.024 0.000 0.837 302 R HN 0.564 nan 8.270 nan 0.000 0.429 303 C N 0.313 119.597 119.300 -0.026 0.000 2.396 303 C HA -0.130 4.331 4.460 0.001 0.000 0.277 303 C C 2.353 177.235 174.990 -0.179 0.000 1.231 303 C CA 0.744 59.727 59.018 -0.058 0.000 1.775 303 C CB -0.914 26.796 27.740 -0.051 0.000 2.036 303 C HN 0.487 nan 8.230 nan 0.000 0.484 304 L N 0.016 121.068 121.223 -0.285 0.000 2.529 304 L HA 0.230 4.570 4.340 0.001 0.000 0.223 304 L C 1.535 178.295 176.870 -0.184 0.000 1.113 304 L CA 0.814 55.329 54.840 -0.542 0.000 0.861 304 L CB -0.683 40.818 42.059 -0.931 0.000 1.012 304 L HN 0.463 nan 8.230 nan 0.000 0.461 305 G N 1.790 110.559 108.800 -0.051 0.000 2.385 305 G HA2 -0.234 3.726 3.960 0.001 0.000 0.294 305 G HA3 -0.234 3.726 3.960 0.001 0.000 0.294 305 G C -0.328 174.632 174.900 0.099 0.000 1.070 305 G CA 0.147 45.282 45.100 0.059 0.000 1.172 305 G HN 0.281 nan 8.290 nan 0.000 0.516 306 I N -0.928 119.669 120.570 0.046 0.000 3.467 306 I HA 0.732 4.903 4.170 0.001 0.000 0.314 306 I C 0.327 176.465 176.117 0.035 0.000 1.177 306 I CA -0.849 60.488 61.300 0.062 0.000 0.943 306 I CB 2.231 40.256 38.000 0.042 0.000 1.338 306 I HN 0.469 nan 8.210 nan 0.000 0.482 307 S N 1.175 116.896 115.700 0.036 0.000 2.503 307 S HA 0.495 4.965 4.470 0.001 0.000 0.301 307 S C 0.628 175.239 174.600 0.020 0.000 1.087 307 S CA -0.758 57.458 58.200 0.027 0.000 1.042 307 S CB 1.601 64.819 63.200 0.030 0.000 1.043 307 S HN 0.663 nan 8.310 nan 0.000 0.489 308 L N 1.687 122.920 121.223 0.017 0.000 2.089 308 L HA -0.179 4.161 4.340 0.001 0.000 0.213 308 L C 2.549 179.430 176.870 0.018 0.000 1.079 308 L CA 1.825 56.675 54.840 0.017 0.000 0.758 308 L CB -0.511 41.562 42.059 0.024 0.000 0.891 308 L HN 0.846 nan 8.230 nan 0.000 0.433 309 E N -0.245 119.968 120.200 0.021 0.000 2.110 309 E HA -0.228 4.123 4.350 0.001 0.000 0.193 309 E C 2.021 178.634 176.600 0.022 0.000 0.988 309 E CA 1.276 57.689 56.400 0.021 0.000 0.804 309 E CB 0.064 29.777 29.700 0.020 0.000 0.745 309 E HN 0.527 nan 8.360 nan 0.000 0.458 310 E N 0.247 120.463 120.200 0.026 0.000 2.150 310 E HA -0.180 4.170 4.350 0.001 0.000 0.193 310 E C 1.949 178.565 176.600 0.026 0.000 0.985 310 E CA 0.395 56.815 56.400 0.034 0.000 0.814 310 E CB -0.022 29.709 29.700 0.052 0.000 0.752 310 E HN 0.108 nan 8.360 nan 0.000 0.466 311 L N 1.577 122.807 121.223 0.010 0.000 1.932 311 L HA -0.210 4.131 4.340 0.001 0.000 0.217 311 L C 2.300 179.166 176.870 -0.006 0.000 1.077 311 L CA 1.850 56.680 54.840 -0.017 0.000 0.765 311 L CB -0.488 41.553 42.059 -0.030 0.000 0.888 311 L HN -0.043 nan 8.230 nan 0.000 0.433 312 R N -1.126 119.379 120.500 0.008 0.000 2.179 312 R HA -0.240 4.101 4.340 0.001 0.000 0.238 312 R C 2.084 178.395 176.300 0.017 0.000 1.119 312 R CA 2.752 58.863 56.100 0.020 0.000 0.915 312 R CB -1.038 29.277 30.300 0.024 0.000 0.870 312 R HN 0.504 nan 8.270 nan 0.000 0.432 313 T N 1.093 115.657 114.554 0.018 0.000 2.588 313 T HA -0.170 4.181 4.350 0.001 0.000 0.261 313 T C 1.735 176.446 174.700 0.018 0.000 1.069 313 T CA 1.766 63.877 62.100 0.018 0.000 1.172 313 T CB -0.210 68.670 68.868 0.019 0.000 0.863 313 T HN 0.482 nan 8.240 nan 0.000 0.408 314 Q N 0.139 119.952 119.800 0.023 0.000 2.432 314 Q HA 0.245 4.586 4.340 0.001 0.000 0.205 314 Q C 1.733 177.749 176.000 0.025 0.000 0.945 314 Q CA 0.674 56.493 55.803 0.026 0.000 0.924 314 Q CB 0.033 28.793 28.738 0.036 0.000 1.016 314 Q HN 0.528 nan 8.270 nan 0.000 0.503 315 I N -0.550 120.030 120.570 0.017 0.000 4.033 315 I HA 0.093 4.264 4.170 0.001 0.000 0.296 315 I C 0.782 176.895 176.117 -0.006 0.000 1.210 315 I CA -0.139 61.165 61.300 0.006 0.000 1.341 315 I CB 0.280 38.275 38.000 -0.010 0.000 1.369 315 I HN 0.041 nan 8.210 nan 0.000 0.453 316 L N 1.096 122.315 121.223 -0.006 0.000 2.476 316 L HA 0.158 4.498 4.340 0.001 0.000 0.255 316 L C 0.488 177.369 176.870 0.018 0.000 1.218 316 L CA 0.230 55.074 54.840 0.008 0.000 0.819 316 L CB 0.530 42.606 42.059 0.028 0.000 1.119 316 L HN 0.094 nan 8.230 nan 0.000 0.485 317 S N 0.275 115.993 115.700 0.030 0.000 2.687 317 S HA 0.319 4.790 4.470 0.001 0.000 0.283 317 S C -1.657 172.958 174.600 0.026 0.000 1.170 317 S CA -1.210 57.005 58.200 0.024 0.000 1.008 317 S CB 1.710 64.926 63.200 0.025 0.000 1.026 317 S HN 0.408 nan 8.310 nan 0.000 0.541 318 P HA -0.134 nan 4.420 nan 0.000 0.213 318 P C 0.846 178.154 177.300 0.012 0.000 1.170 318 P CA 1.213 64.322 63.100 0.014 0.000 0.898 318 P CB -0.244 31.462 31.700 0.010 0.000 0.787 319 N N -0.579 118.125 118.700 0.006 0.000 2.551 319 N HA -0.046 4.695 4.740 0.001 0.000 0.199 319 N C 0.540 176.048 175.510 -0.003 0.000 1.277 319 N CA 1.203 54.249 53.050 -0.006 0.000 0.870 319 N CB -0.968 37.507 38.487 -0.020 0.000 1.028 319 N HN 0.258 nan 8.380 nan 0.000 0.452 320 T N -5.217 109.353 114.554 0.027 0.000 3.041 320 T HA 0.129 4.480 4.350 0.001 0.000 0.276 320 T C 1.354 176.112 174.700 0.098 0.000 0.948 320 T CA -0.245 61.891 62.100 0.061 0.000 0.885 320 T CB -0.028 68.908 68.868 0.113 0.000 1.175 320 T HN -0.023 nan 8.240 nan 0.000 0.529 321 Q N 1.546 121.387 119.800 0.067 0.000 2.133 321 Q HA -0.135 4.206 4.340 0.001 0.000 0.208 321 Q C 0.901 176.951 176.000 0.082 0.000 0.991 321 Q CA 1.886 57.734 55.803 0.074 0.000 0.867 321 Q CB -0.212 28.552 28.738 0.043 0.000 0.911 321 Q HN 0.527 nan 8.270 nan 0.000 0.417 322 D N 0.180 120.606 120.400 0.044 0.000 2.434 322 D HA 0.085 4.725 4.640 0.001 0.000 0.232 322 D C -0.648 175.651 176.300 -0.002 0.000 1.166 322 D CA 0.106 54.121 54.000 0.025 0.000 0.830 322 D CB 0.381 41.182 40.800 0.002 0.000 0.960 322 D HN -0.018 nan 8.370 nan 0.000 0.497 323 V N 1.641 121.559 119.914 0.008 0.000 2.530 323 V HA 0.070 4.190 4.120 0.001 0.000 0.282 323 V C 1.630 177.627 176.094 -0.161 0.000 1.048 323 V CA -0.162 62.032 62.300 -0.177 0.000 0.997 323 V CB 2.262 33.819 31.823 -0.443 0.000 0.987 323 V HN 0.129 nan 8.190 nan 0.000 0.477 324 L N 4.249 125.352 121.223 -0.201 0.000 2.316 324 L HA 0.345 4.685 4.340 0.001 0.000 0.207 324 L C 0.470 177.266 176.870 -0.123 0.000 1.070 324 L CA 0.885 55.679 54.840 -0.077 0.000 0.820 324 L CB 0.412 42.434 42.059 -0.062 0.000 0.992 324 L HN 0.478 nan 8.230 nan 0.000 0.466 325 I N -0.164 120.207 120.570 -0.331 0.000 2.339 325 I HA 0.199 4.369 4.170 0.001 0.000 0.290 325 I C -1.164 174.621 176.117 -0.553 0.000 0.994 325 I CA -0.310 60.830 61.300 -0.268 0.000 1.191 325 I CB 1.384 39.292 38.000 -0.153 0.000 1.343 325 I HN -0.158 nan 8.210 nan 0.000 0.458 326 F N 5.394 125.387 119.950 0.071 0.000 2.427 326 F HA 0.402 4.929 4.527 0.001 0.000 0.348 326 F C 0.413 176.267 175.800 0.090 0.000 1.125 326 F CA -0.839 57.195 58.000 0.056 0.000 0.989 326 F CB 1.343 40.364 39.000 0.036 0.000 1.165 326 F HN 0.242 nan 8.300 nan 0.000 0.442 327 K N 5.527 126.028 120.400 0.169 0.000 2.535 327 K HA 0.268 4.588 4.320 0.001 0.000 0.242 327 K C 0.862 177.539 176.600 0.128 0.000 1.210 327 K CA -0.038 56.336 56.287 0.145 0.000 1.178 327 K CB 0.258 32.800 32.500 0.070 0.000 1.778 327 K HN 0.733 nan 8.250 nan 0.000 0.372 328 L N -0.094 121.203 121.223 0.125 0.000 1.994 328 L HA -0.247 4.094 4.340 0.001 0.000 0.208 328 L C 2.336 179.250 176.870 0.073 0.000 1.071 328 L CA 1.588 56.433 54.840 0.010 0.000 0.745 328 L CB -0.796 41.115 42.059 -0.245 0.000 0.892 328 L HN 0.449 nan 8.230 nan 0.000 0.431 329 Y N 1.415 121.733 120.300 0.029 0.000 2.097 329 Y HA -0.341 4.210 4.550 0.001 0.000 0.282 329 Y C 2.725 178.665 175.900 0.067 0.000 1.152 329 Y CA 1.971 60.102 58.100 0.051 0.000 1.136 329 Y CB -0.203 38.307 38.460 0.084 0.000 0.975 329 Y HN 0.150 nan 8.280 nan 0.000 0.498 330 Q N -0.013 119.888 119.800 0.168 0.000 2.119 330 Q HA -0.133 4.207 4.340 0.001 0.000 0.201 330 Q C 2.110 178.137 176.000 0.044 0.000 0.972 330 Q CA 1.454 57.287 55.803 0.049 0.000 0.847 330 Q CB -0.168 28.648 28.738 0.130 0.000 0.903 330 Q HN 0.222 nan 8.270 nan 0.000 0.433 331 R N 0.326 120.866 120.500 0.067 0.000 2.092 331 R HA 0.046 4.386 4.340 0.001 0.000 0.231 331 R C 2.032 178.426 176.300 0.155 0.000 1.119 331 R CA 1.361 57.577 56.100 0.194 0.000 0.970 331 R CB -1.269 29.097 30.300 0.110 0.000 0.864 331 R HN 0.339 nan 8.270 nan 0.000 0.440 332 A N 1.189 124.005 122.820 -0.007 0.000 1.898 332 A HA -0.094 4.226 4.320 0.001 0.000 0.216 332 A C 1.893 179.408 177.584 -0.114 0.000 1.181 332 A CA 1.128 53.090 52.037 -0.125 0.000 0.620 332 A CB -0.194 18.780 19.000 -0.043 0.000 0.819 332 A HN 0.010 nan 8.150 nan 0.000 0.442 333 K N -0.383 119.937 120.400 -0.133 0.000 2.103 333 K HA -0.185 4.135 4.320 0.001 0.000 0.207 333 K C 1.878 178.444 176.600 -0.055 0.000 1.048 333 K CA 1.931 58.130 56.287 -0.148 0.000 0.930 333 K CB -0.743 31.547 32.500 -0.350 0.000 0.716 333 K HN 0.777 nan 8.250 nan 0.000 0.444 334 H N 0.875 119.895 119.070 -0.083 0.000 2.299 334 H HA -0.030 4.527 4.556 0.001 0.000 0.302 334 H C 1.931 177.159 175.328 -0.166 0.000 1.078 334 H CA 1.879 57.880 56.048 -0.079 0.000 1.323 334 H CB -0.380 29.405 29.762 0.037 0.000 1.381 334 H HN -0.137 nan 8.280 nan 0.000 0.498 335 V N 0.387 120.007 119.914 -0.491 0.000 2.231 335 V HA -0.342 3.779 4.120 0.001 0.000 0.248 335 V C 2.309 178.089 176.094 -0.524 0.000 1.054 335 V CA 2.315 64.252 62.300 -0.605 0.000 1.015 335 V CB -0.898 30.657 31.823 -0.447 0.000 0.638 335 V HN 0.465 nan 8.190 nan 0.000 0.444 336 Y N 1.560 121.695 120.300 -0.276 0.000 2.165 336 Y HA -0.234 4.316 4.550 0.001 0.000 0.286 336 Y C 2.900 178.609 175.900 -0.319 0.000 1.155 336 Y CA 1.541 59.458 58.100 -0.305 0.000 1.164 336 Y CB -1.224 37.135 38.460 -0.169 0.000 0.978 336 Y HN 0.425 nan 8.280 nan 0.000 0.513 337 S N -0.316 115.306 115.700 -0.130 0.000 2.355 337 S HA -0.231 4.239 4.470 0.001 0.000 0.222 337 S C 1.919 176.403 174.600 -0.193 0.000 1.031 337 S CA 1.218 59.341 58.200 -0.128 0.000 0.993 337 S CB -0.625 62.529 63.200 -0.077 0.000 0.859 337 S HN 0.470 nan 8.310 nan 0.000 0.453 338 E N 2.298 122.302 120.200 -0.328 0.000 2.097 338 E HA -0.134 4.216 4.350 0.001 0.000 0.196 338 E C 2.070 178.511 176.600 -0.265 0.000 1.000 338 E CA 1.370 57.573 56.400 -0.329 0.000 0.804 338 E CB -0.710 28.688 29.700 -0.503 0.000 0.740 338 E HN 0.591 nan 8.360 nan 0.000 0.454 339 A N 0.735 123.340 122.820 -0.357 0.000 1.908 339 A HA -0.125 4.196 4.320 0.001 0.000 0.218 339 A C 2.440 179.895 177.584 -0.215 0.000 1.181 339 A CA 2.065 53.892 52.037 -0.350 0.000 0.627 339 A CB -1.061 17.457 19.000 -0.804 0.000 0.818 339 A HN 0.423 nan 8.150 nan 0.000 0.445 340 A N 0.014 122.715 122.820 -0.198 0.000 1.883 340 A HA -0.200 4.121 4.320 0.001 0.000 0.217 340 A C 2.243 179.793 177.584 -0.056 0.000 1.186 340 A CA 1.586 53.557 52.037 -0.110 0.000 0.624 340 A CB -0.520 18.425 19.000 -0.093 0.000 0.822 340 A HN 0.584 nan 8.150 nan 0.000 0.444 341 R N -0.656 119.812 120.500 -0.054 0.000 2.083 341 R HA -0.109 4.231 4.340 0.001 0.000 0.237 341 R C 2.069 178.397 176.300 0.046 0.000 1.137 341 R CA 1.498 57.601 56.100 0.007 0.000 0.951 341 R CB -0.930 29.377 30.300 0.011 0.000 0.851 341 R HN 0.383 nan 8.270 nan 0.000 0.434 342 V N 2.204 122.112 119.914 -0.009 0.000 2.231 342 V HA -0.283 3.838 4.120 0.001 0.000 0.248 342 V C 2.497 178.617 176.094 0.044 0.000 1.054 342 V CA 1.981 64.276 62.300 -0.008 0.000 1.015 342 V CB -0.586 31.203 31.823 -0.058 0.000 0.638 342 V HN 0.302 nan 8.190 nan 0.000 0.444 343 L N -0.884 120.347 121.223 0.014 0.000 2.081 343 L HA -0.310 4.031 4.340 0.001 0.000 0.212 343 L C 2.580 179.483 176.870 0.054 0.000 1.080 343 L CA 1.882 56.738 54.840 0.028 0.000 0.754 343 L CB -0.801 41.262 42.059 0.006 0.000 0.893 343 L HN 0.416 nan 8.230 nan 0.000 0.433 344 Q N -0.309 119.525 119.800 0.057 0.000 1.942 344 Q HA -0.243 4.098 4.340 0.001 0.000 0.203 344 Q C 2.114 178.177 176.000 0.105 0.000 0.987 344 Q CA 2.187 58.027 55.803 0.060 0.000 0.844 344 Q CB -0.396 28.370 28.738 0.047 0.000 0.911 344 Q HN 0.348 nan 8.270 nan 0.000 0.423 345 F N 1.368 121.311 119.950 -0.011 0.000 2.079 345 F HA -0.419 4.108 4.527 0.001 0.000 0.296 345 F C 2.166 177.967 175.800 0.001 0.000 1.084 345 F CA 2.182 60.181 58.000 -0.000 0.000 1.236 345 F CB -0.078 38.922 39.000 0.000 0.000 0.984 345 F HN 0.002 nan 8.300 nan 0.000 0.488 346 K N 0.575 121.194 120.400 0.365 0.000 1.964 346 K HA -0.234 4.086 4.320 0.001 0.000 0.218 346 K C 2.101 178.756 176.600 0.092 0.000 1.043 346 K CA 1.865 58.294 56.287 0.236 0.000 0.966 346 K CB -0.380 32.205 32.500 0.141 0.000 0.739 346 K HN 0.123 nan 8.250 nan 0.000 0.443 347 K N 0.248 120.684 120.400 0.059 0.000 2.097 347 K HA -0.284 4.036 4.320 0.001 0.000 0.223 347 K C 2.154 178.751 176.600 -0.005 0.000 1.049 347 K CA 2.544 58.843 56.287 0.021 0.000 0.956 347 K CB -0.661 31.848 32.500 0.015 0.000 0.746 347 K HN 0.263 nan 8.250 nan 0.000 0.461 348 I N 0.845 121.396 120.570 -0.032 0.000 2.068 348 I HA -0.427 3.743 4.170 0.001 0.000 0.238 348 I C 2.648 178.716 176.117 -0.082 0.000 1.046 348 I CA 1.568 62.819 61.300 -0.082 0.000 1.306 348 I CB -0.463 37.439 38.000 -0.164 0.000 1.023 348 I HN 0.334 nan 8.210 nan 0.000 0.399 349 C N 0.548 119.788 119.300 -0.101 0.000 2.396 349 C HA -0.230 4.231 4.460 0.001 0.000 0.279 349 C C 2.541 177.526 174.990 -0.008 0.000 1.229 349 C CA 1.326 60.315 59.018 -0.047 0.000 1.801 349 C CB -1.399 26.370 27.740 0.048 0.000 2.050 349 C HN 0.520 nan 8.230 nan 0.000 0.491 350 E N -0.393 119.807 120.200 0.001 0.000 2.358 350 E HA -0.114 4.237 4.350 0.001 0.000 0.195 350 E C 1.907 178.503 176.600 -0.007 0.000 1.010 350 E CA 0.602 57.004 56.400 0.004 0.000 0.856 350 E CB -0.068 29.638 29.700 0.010 0.000 0.795 350 E HN 0.703 nan 8.360 nan 0.000 0.504 351 E N 0.343 120.532 120.200 -0.018 0.000 2.099 351 E HA 0.137 4.487 4.350 0.001 0.000 0.191 351 E C 0.282 176.868 176.600 -0.024 0.000 0.962 351 E CA 0.479 56.867 56.400 -0.021 0.000 0.826 351 E CB 0.323 30.007 29.700 -0.026 0.000 0.788 351 E HN 0.141 nan 8.360 nan 0.000 0.461 352 A N 2.229 125.028 122.820 -0.034 0.000 2.514 352 A HA -0.101 4.220 4.320 0.001 0.000 0.290 352 A C -2.492 175.072 177.584 -0.034 0.000 1.435 352 A CA -0.116 51.900 52.037 -0.035 0.000 0.728 352 A CB -1.918 17.068 19.000 -0.024 0.000 1.128 352 A HN 0.083 nan 8.150 nan 0.000 0.394 353 P HA 0.375 nan 4.420 nan 0.000 0.276 353 P C 0.858 178.135 177.300 -0.038 0.000 1.244 353 P CA -0.347 62.730 63.100 -0.038 0.000 0.801 353 P CB 0.436 32.109 31.700 -0.045 0.000 1.006 354 E N 0.914 121.095 120.200 -0.032 0.000 2.401 354 E HA -0.147 4.204 4.350 0.001 0.000 0.199 354 E C 0.583 177.162 176.600 -0.035 0.000 1.023 354 E CA 0.780 57.162 56.400 -0.030 0.000 0.859 354 E CB -0.319 29.367 29.700 -0.023 0.000 0.780 354 E HN 0.463 nan 8.360 nan 0.000 0.523 355 N N 0.087 118.762 118.700 -0.041 0.000 2.351 355 N HA 0.076 4.816 4.740 0.001 0.000 0.254 355 N C 0.938 176.412 175.510 -0.061 0.000 1.241 355 N CA -0.167 52.855 53.050 -0.045 0.000 0.883 355 N CB 0.025 38.490 38.487 -0.038 0.000 1.202 355 N HN 0.034 nan 8.380 nan 0.000 0.512 356 M N 0.284 119.842 119.600 -0.070 0.000 2.308 356 M HA -0.273 4.207 4.480 0.001 0.000 0.257 356 M C 1.391 177.619 176.300 -0.119 0.000 1.070 356 M CA 2.301 57.543 55.300 -0.098 0.000 1.080 356 M CB -0.065 32.479 32.600 -0.093 0.000 1.274 356 M HN 0.073 nan 8.290 nan 0.000 0.434 357 V N -0.350 119.503 119.914 -0.102 0.000 2.237 357 V HA -0.333 3.787 4.120 0.001 0.000 0.245 357 V C 2.242 178.282 176.094 -0.090 0.000 1.046 357 V CA 2.292 64.527 62.300 -0.107 0.000 1.007 357 V CB -1.046 30.715 31.823 -0.102 0.000 0.638 357 V HN 0.585 nan 8.190 nan 0.000 0.445 358 Q N -0.492 119.265 119.800 -0.071 0.000 2.047 358 Q HA -0.268 4.072 4.340 0.001 0.000 0.211 358 Q C 2.250 178.218 176.000 -0.053 0.000 1.005 358 Q CA 2.474 58.245 55.803 -0.054 0.000 0.866 358 Q CB -0.272 28.439 28.738 -0.045 0.000 0.938 358 Q HN 0.583 nan 8.270 nan 0.000 0.414 359 L N 0.075 121.259 121.223 -0.066 0.000 1.929 359 L HA -0.314 4.027 4.340 0.001 0.000 0.229 359 L C 2.622 179.449 176.870 -0.073 0.000 1.086 359 L CA 1.659 56.458 54.840 -0.068 0.000 0.798 359 L CB -1.076 40.929 42.059 -0.089 0.000 0.898 359 L HN 0.378 nan 8.230 nan 0.000 0.436 360 L N -0.181 120.955 121.223 -0.145 0.000 2.085 360 L HA -0.282 4.059 4.340 0.001 0.000 0.218 360 L C 2.628 179.499 176.870 0.001 0.000 1.080 360 L CA 1.705 56.433 54.840 -0.188 0.000 0.776 360 L CB -1.455 40.359 42.059 -0.409 0.000 0.891 360 L HN 0.520 nan 8.230 nan 0.000 0.437 361 G N -0.668 108.122 108.800 -0.017 0.000 2.553 361 G HA2 -0.309 3.652 3.960 0.001 0.000 0.218 361 G HA3 -0.309 3.652 3.960 0.001 0.000 0.218 361 G C 1.340 176.264 174.900 0.040 0.000 1.195 361 G CA 1.121 46.230 45.100 0.015 0.000 0.779 361 G HN 0.464 nan 8.290 nan 0.000 0.577 362 E N -0.028 120.182 120.200 0.018 0.000 2.035 362 E HA -0.163 4.187 4.350 0.001 0.000 0.204 362 E C 2.626 179.259 176.600 0.055 0.000 1.025 362 E CA 1.112 57.527 56.400 0.026 0.000 0.835 362 E CB -0.357 29.349 29.700 0.010 0.000 0.764 362 E HN 0.380 nan 8.360 nan 0.000 0.457 363 L N 0.215 121.479 121.223 0.068 0.000 2.064 363 L HA -0.311 4.030 4.340 0.001 0.000 0.216 363 L C 2.633 179.583 176.870 0.134 0.000 1.077 363 L CA 1.376 56.281 54.840 0.108 0.000 0.766 363 L CB -0.363 41.797 42.059 0.168 0.000 0.890 363 L HN 0.317 nan 8.230 nan 0.000 0.435 364 M N -1.117 118.579 119.600 0.161 0.000 2.132 364 M HA -0.176 4.305 4.480 0.001 0.000 0.263 364 M C 1.951 178.320 176.300 0.115 0.000 1.065 364 M CA 1.564 56.956 55.300 0.153 0.000 1.122 364 M CB -0.546 32.164 32.600 0.183 0.000 1.365 364 M HN 0.356 nan 8.290 nan 0.000 0.411 365 N N 0.343 119.097 118.700 0.089 0.000 2.166 365 N HA -0.165 4.575 4.740 0.001 0.000 0.186 365 N C 1.688 177.262 175.510 0.106 0.000 1.019 365 N CA 1.220 54.321 53.050 0.085 0.000 0.856 365 N CB -0.283 38.233 38.487 0.049 0.000 0.993 365 N HN 0.572 nan 8.380 nan 0.000 0.426 366 Q N 0.857 120.705 119.800 0.081 0.000 2.030 366 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 366 Q C 2.250 178.294 176.000 0.073 0.000 0.986 366 Q CA 1.499 57.341 55.803 0.066 0.000 0.843 366 Q CB -0.337 28.431 28.738 0.051 0.000 0.904 366 Q HN 0.253 nan 8.270 nan 0.000 0.420 367 S N 0.315 116.065 115.700 0.084 0.000 2.359 367 S HA -0.312 4.158 4.470 0.001 0.000 0.223 367 S C 1.879 176.518 174.600 0.064 0.000 1.039 367 S CA 1.937 60.186 58.200 0.082 0.000 1.042 367 S CB -0.387 62.859 63.200 0.076 0.000 0.915 367 S HN 0.551 nan 8.310 nan 0.000 0.439 368 H N 0.478 119.553 119.070 0.009 0.000 2.289 368 H HA -0.030 4.527 4.556 0.001 0.000 0.296 368 H C 2.222 177.529 175.328 -0.035 0.000 1.091 368 H CA 2.557 58.594 56.048 -0.019 0.000 1.274 368 H CB -0.361 29.393 29.762 -0.014 0.000 1.364 368 H HN 0.413 nan 8.280 nan 0.000 0.490 369 M N -0.950 118.649 119.600 -0.002 0.000 2.159 369 M HA -0.191 4.290 4.480 0.001 0.000 0.263 369 M C 2.658 178.896 176.300 -0.103 0.000 1.063 369 M CA 1.586 56.855 55.300 -0.052 0.000 1.110 369 M CB -0.132 32.484 32.600 0.026 0.000 1.374 369 M HN 0.321 nan 8.290 nan 0.000 0.411 370 S N -0.220 115.446 115.700 -0.057 0.000 2.343 370 S HA -0.181 4.290 4.470 0.001 0.000 0.219 370 S C 1.968 176.440 174.600 -0.214 0.000 1.033 370 S CA 1.553 59.734 58.200 -0.031 0.000 1.014 370 S CB -0.410 62.867 63.200 0.128 0.000 0.915 370 S HN 0.620 nan 8.310 nan 0.000 0.435 371 C N 1.534 120.637 119.300 -0.328 0.000 2.413 371 C HA -0.040 4.420 4.460 0.001 0.000 0.276 371 C C 2.835 177.570 174.990 -0.426 0.000 1.248 371 C CA 1.288 60.010 59.018 -0.493 0.000 1.742 371 C CB -1.565 25.941 27.740 -0.390 0.000 2.017 371 C HN 0.697 nan 8.230 nan 0.000 0.481 372 R N 1.041 121.276 120.500 -0.441 0.000 2.075 372 R HA -0.137 4.204 4.340 0.001 0.000 0.230 372 R C 1.744 177.906 176.300 -0.229 0.000 1.140 372 R CA 2.281 58.152 56.100 -0.381 0.000 0.928 372 R CB -0.369 29.693 30.300 -0.395 0.000 0.834 372 R HN 0.462 nan 8.270 nan 0.000 0.429 373 D N -0.467 119.836 120.400 -0.162 0.000 2.162 373 D HA -0.077 4.563 4.640 0.001 0.000 0.205 373 D C 2.020 178.279 176.300 -0.068 0.000 0.964 373 D CA 1.026 54.973 54.000 -0.088 0.000 0.847 373 D CB 0.043 40.817 40.800 -0.043 0.000 0.988 373 D HN 0.236 nan 8.370 nan 0.000 0.480 374 M N -0.580 118.978 119.600 -0.069 0.000 2.191 374 M HA -0.048 4.432 4.480 0.001 0.000 0.262 374 M C 2.081 178.349 176.300 -0.053 0.000 1.083 374 M CA 0.964 56.252 55.300 -0.020 0.000 1.154 374 M CB -1.090 31.535 32.600 0.042 0.000 1.344 374 M HN 0.004 nan 8.290 nan 0.000 0.431 375 Y N 1.558 121.639 120.300 -0.365 0.000 2.457 375 Y HA -0.044 4.506 4.550 0.001 0.000 0.292 375 Y C 0.430 176.114 175.900 -0.360 0.000 1.125 375 Y CA 0.744 58.575 58.100 -0.447 0.000 1.254 375 Y CB 0.057 38.005 38.460 -0.853 0.000 1.012 375 Y HN 0.401 nan 8.280 nan 0.000 0.555 376 E N -1.064 118.979 120.200 -0.262 0.000 2.360 376 E HA -0.303 4.047 4.350 0.001 0.000 0.238 376 E C 0.516 176.894 176.600 -0.369 0.000 1.186 376 E CA 0.486 56.737 56.400 -0.247 0.000 0.719 376 E CB -1.863 27.750 29.700 -0.145 0.000 1.236 376 E HN 0.600 nan 8.360 nan 0.000 0.386 377 C N -2.142 116.750 119.300 -0.681 0.000 2.760 377 C HA 0.566 5.026 4.460 0.001 0.000 0.293 377 C C 1.145 175.386 174.990 -1.249 0.000 1.383 377 C CA -0.326 57.733 59.018 -1.599 0.000 1.771 377 C CB -0.192 26.500 27.740 -1.746 0.000 2.353 377 C HN 0.342 nan 8.230 nan 0.000 0.578 378 S N -0.080 115.241 115.700 -0.631 0.000 2.647 378 S HA 0.838 5.308 4.470 0.001 0.000 0.284 378 S C 0.093 174.594 174.600 -0.166 0.000 1.134 378 S CA 0.421 58.419 58.200 -0.337 0.000 1.027 378 S CB 1.098 64.140 63.200 -0.264 0.000 1.180 378 S HN 1.243 nan 8.310 nan 0.000 0.521 379 C N -0.431 118.851 119.300 -0.029 0.000 3.239 379 C HA 0.670 5.131 4.460 0.001 0.000 0.317 379 C C -2.223 172.804 174.990 0.061 0.000 1.310 379 C CA -1.481 57.567 59.018 0.049 0.000 1.371 379 C CB 0.511 28.321 27.740 0.116 0.000 1.714 379 C HN 0.568 nan 8.230 nan 0.000 0.473 380 P HA -0.091 nan 4.420 nan 0.000 0.215 380 P C 1.165 178.514 177.300 0.082 0.000 1.153 380 P CA 1.990 65.130 63.100 0.067 0.000 0.853 380 P CB 0.184 31.923 31.700 0.065 0.000 0.788 381 E N -0.468 119.794 120.200 0.104 0.000 2.077 381 E HA -0.128 4.222 4.350 0.001 0.000 0.193 381 E C 2.125 178.764 176.600 0.065 0.000 0.989 381 E CA 0.887 57.373 56.400 0.144 0.000 0.800 381 E CB -1.179 28.642 29.700 0.201 0.000 0.746 381 E HN 0.180 nan 8.360 nan 0.000 0.452 382 L N 0.922 122.175 121.223 0.049 0.000 2.083 382 L HA -0.215 4.126 4.340 0.001 0.000 0.209 382 L C 1.740 178.613 176.870 0.005 0.000 1.083 382 L CA 1.108 55.956 54.840 0.012 0.000 0.752 382 L CB -0.289 41.817 42.059 0.078 0.000 0.899 382 L HN 0.156 nan 8.230 nan 0.000 0.433 383 D N -0.361 120.079 120.400 0.068 0.000 2.104 383 D HA -0.214 4.427 4.640 0.001 0.000 0.194 383 D C 2.286 178.589 176.300 0.005 0.000 0.994 383 D CA 1.341 55.392 54.000 0.084 0.000 0.830 383 D CB -0.177 40.682 40.800 0.097 0.000 0.959 383 D HN 0.492 nan 8.370 nan 0.000 0.452 384 Q N -0.016 119.790 119.800 0.011 0.000 2.046 384 Q HA -0.109 4.231 4.340 0.001 0.000 0.200 384 Q C 2.365 178.323 176.000 -0.070 0.000 0.975 384 Q CA 0.592 56.400 55.803 0.008 0.000 0.836 384 Q CB -0.440 28.354 28.738 0.094 0.000 0.896 384 Q HN 0.193 nan 8.270 nan 0.000 0.428 385 L N 1.248 122.352 121.223 -0.198 0.000 2.013 385 L HA -0.164 4.176 4.340 0.001 0.000 0.212 385 L C 2.298 179.034 176.870 -0.223 0.000 1.073 385 L CA 1.416 56.016 54.840 -0.400 0.000 0.753 385 L CB -0.631 40.946 42.059 -0.803 0.000 0.890 385 L HN 0.023 nan 8.230 nan 0.000 0.432 386 V N -0.154 119.633 119.914 -0.212 0.000 2.490 386 V HA -0.282 3.838 4.120 0.001 0.000 0.250 386 V C 2.148 178.156 176.094 -0.145 0.000 1.061 386 V CA 1.851 64.012 62.300 -0.232 0.000 1.064 386 V CB -0.644 30.875 31.823 -0.506 0.000 0.670 386 V HN 0.526 nan 8.190 nan 0.000 0.461 387 D N -0.083 120.250 120.400 -0.112 0.000 2.083 387 D HA -0.120 4.520 4.640 0.001 0.000 0.199 387 D C 2.055 178.304 176.300 -0.085 0.000 0.980 387 D CA 1.320 55.270 54.000 -0.083 0.000 0.851 387 D CB -0.441 40.321 40.800 -0.062 0.000 0.997 387 D HN 0.325 nan 8.370 nan 0.000 0.449 388 I N 1.189 121.719 120.570 -0.068 0.000 2.161 388 I HA -0.415 3.755 4.170 0.001 0.000 0.246 388 I C 2.611 178.740 176.117 0.020 0.000 1.048 388 I CA 1.315 62.592 61.300 -0.037 0.000 1.314 388 I CB -0.140 37.915 38.000 0.093 0.000 1.014 388 I HN 0.108 nan 8.210 nan 0.000 0.418 389 C N -0.019 119.320 119.300 0.065 0.000 2.386 389 C HA -0.196 4.265 4.460 0.001 0.000 0.279 389 C C 2.834 177.992 174.990 0.280 0.000 1.208 389 C CA 0.935 60.125 59.018 0.286 0.000 1.747 389 C CB -1.282 26.656 27.740 0.331 0.000 2.046 389 C HN 0.431 nan 8.230 nan 0.000 0.453 390 R N 0.955 121.505 120.500 0.083 0.000 2.113 390 R HA -0.229 4.111 4.340 0.001 0.000 0.244 390 R C 2.224 178.480 176.300 -0.073 0.000 1.142 390 R CA 1.793 57.900 56.100 0.012 0.000 0.953 390 R CB -0.668 29.607 30.300 -0.042 0.000 0.860 390 R HN 0.601 nan 8.270 nan 0.000 0.438 391 K N 0.093 120.347 120.400 -0.243 0.000 2.228 391 K HA -0.163 4.158 4.320 0.001 0.000 0.205 391 K C 0.732 176.870 176.600 -0.771 0.000 1.045 391 K CA 1.468 57.421 56.287 -0.556 0.000 0.931 391 K CB -0.008 32.011 32.500 -0.802 0.000 0.727 391 K HN 0.143 nan 8.250 nan 0.000 0.458 392 F N -1.401 118.603 119.950 0.090 0.000 2.735 392 F HA 0.300 4.828 4.527 0.001 0.000 0.304 392 F C 1.097 177.026 175.800 0.215 0.000 1.119 392 F CA -0.002 58.076 58.000 0.130 0.000 1.280 392 F CB 1.778 40.830 39.000 0.086 0.000 0.994 392 F HN 0.171 nan 8.300 nan 0.000 0.520 393 G N 0.088 109.048 108.800 0.266 0.000 2.551 393 G HA2 -0.063 3.898 3.960 0.001 0.000 0.186 393 G HA3 -0.063 3.898 3.960 0.001 0.000 0.186 393 G C 0.334 175.269 174.900 0.058 0.000 1.002 393 G CA -0.459 44.746 45.100 0.175 0.000 0.723 393 G HN 0.416 nan 8.290 nan 0.000 0.481 394 A N 0.685 123.573 122.820 0.113 0.000 2.512 394 A HA 0.467 4.788 4.320 0.001 0.000 0.278 394 A C 1.217 178.777 177.584 -0.040 0.000 1.128 394 A CA 1.619 53.654 52.037 -0.002 0.000 0.818 394 A CB 0.331 19.416 19.000 0.141 0.000 1.044 394 A HN 0.528 nan 8.150 nan 0.000 0.526 395 Q N 2.183 121.926 119.800 -0.095 0.000 2.331 395 Q HA 0.229 4.569 4.340 0.001 0.000 0.203 395 Q C 0.714 176.684 176.000 -0.050 0.000 0.944 395 Q CA 1.280 57.038 55.803 -0.075 0.000 0.892 395 Q CB 0.334 29.008 28.738 -0.107 0.000 0.983 395 Q HN 0.909 nan 8.270 nan 0.000 0.482 396 G N -1.027 107.741 108.800 -0.054 0.000 2.760 396 G HA2 0.529 4.490 3.960 0.001 0.000 0.296 396 G HA3 0.529 4.490 3.960 0.001 0.000 0.296 396 G C -1.659 173.239 174.900 -0.005 0.000 1.427 396 G CA -0.362 44.738 45.100 -0.000 0.000 1.109 396 G HN -0.047 nan 8.290 nan 0.000 0.553 397 S N 0.432 116.132 115.700 -0.001 0.000 2.536 397 S HA 0.900 5.370 4.470 0.001 0.000 0.271 397 S C -0.475 174.082 174.600 -0.071 0.000 1.134 397 S CA -0.815 57.366 58.200 -0.031 0.000 0.897 397 S CB 1.431 64.601 63.200 -0.049 0.000 1.094 397 S HN 1.301 nan 8.310 nan 0.000 0.473 398 R N 1.790 122.249 120.500 -0.068 0.000 2.753 398 R HA 0.503 4.843 4.340 0.001 0.000 0.272 398 R C -1.550 174.794 176.300 0.073 0.000 1.034 398 R CA -1.054 55.047 56.100 0.002 0.000 0.869 398 R CB -0.134 30.245 30.300 0.130 0.000 1.264 398 R HN 0.475 nan 8.270 nan 0.000 0.481 399 L N -0.621 120.770 121.223 0.279 0.000 2.476 399 L HA 0.634 4.975 4.340 0.001 0.000 0.264 399 L C 0.049 176.969 176.870 0.084 0.000 1.224 399 L CA 0.239 55.167 54.840 0.147 0.000 0.821 399 L CB 0.691 42.838 42.059 0.147 0.000 1.101 399 L HN 0.713 nan 8.230 nan 0.000 0.488 400 T N 0.116 114.704 114.554 0.056 0.000 2.907 400 T HA 0.706 5.057 4.350 0.001 0.000 0.292 400 T C 0.057 174.788 174.700 0.050 0.000 1.043 400 T CA 0.397 62.519 62.100 0.036 0.000 1.003 400 T CB 1.003 69.877 68.868 0.011 0.000 1.084 400 T HN 1.493 nan 8.240 nan 0.000 0.483 401 G N 1.849 110.670 108.800 0.035 0.000 2.562 401 G HA2 -0.013 3.947 3.960 0.001 0.000 0.250 401 G HA3 -0.013 3.947 3.960 0.001 0.000 0.250 401 G C 1.155 176.113 174.900 0.097 0.000 1.269 401 G CA 0.164 45.296 45.100 0.053 0.000 0.919 401 G HN 1.344 nan 8.290 nan 0.000 0.574 402 A N -0.820 122.117 122.820 0.195 0.000 1.908 402 A HA 0.489 4.809 4.320 0.001 0.000 0.218 402 A C 2.661 180.523 177.584 0.462 0.000 1.181 402 A CA 2.991 55.299 52.037 0.453 0.000 0.627 402 A CB -0.899 18.488 19.000 0.644 0.000 0.818 402 A HN 3.032 nan 8.150 nan 0.000 0.445 403 G N -4.494 104.473 108.800 0.280 0.000 2.447 403 G HA2 -0.018 3.943 3.960 0.001 0.000 0.220 403 G HA3 -0.018 3.943 3.960 0.001 0.000 0.220 403 G C 0.026 175.102 174.900 0.293 0.000 1.261 403 G CA -0.162 44.968 45.100 0.051 0.000 1.000 403 G HN 1.006 nan 8.290 nan 0.000 0.515 404 W N -0.584 120.775 121.300 0.098 0.000 4.141 404 W HA 0.033 4.693 4.660 0.001 0.000 0.336 404 W C 1.193 177.770 176.519 0.098 0.000 1.258 404 W CA 2.205 59.595 57.345 0.075 0.000 0.747 404 W CB -1.925 27.592 29.460 0.096 0.000 2.338 404 W HN 2.629 nan 8.180 nan 0.000 1.410 405 G N -1.218 107.730 108.800 0.247 0.000 2.293 405 G HA2 0.492 4.453 3.960 0.001 0.000 0.282 405 G HA3 0.492 4.453 3.960 0.001 0.000 0.282 405 G C 0.256 175.256 174.900 0.167 0.000 1.299 405 G CA 0.892 46.110 45.100 0.197 0.000 1.018 405 G HN 1.554 nan 8.290 nan 0.000 0.478 406 G N -2.131 106.760 108.800 0.153 0.000 2.615 406 G HA2 0.231 4.191 3.960 0.001 0.000 0.218 406 G HA3 0.231 4.191 3.960 0.001 0.000 0.218 406 G C 0.415 175.374 174.900 0.098 0.000 1.339 406 G CA 0.491 45.670 45.100 0.131 0.000 0.884 406 G HN 2.026 nan 8.290 nan 0.000 0.559 407 C N -0.282 119.064 119.300 0.078 0.000 2.380 407 C HA 1.001 5.461 4.460 0.001 0.000 0.393 407 C C 1.020 176.022 174.990 0.020 0.000 1.284 407 C CA 0.640 59.683 59.018 0.041 0.000 2.033 407 C CB 1.176 28.935 27.740 0.031 0.000 2.165 407 C HN 1.534 nan 8.230 nan 0.000 0.540 408 T N -1.396 113.152 114.554 -0.011 0.000 2.909 408 T HA 0.624 4.974 4.350 0.001 0.000 0.299 408 T C -1.093 173.598 174.700 -0.014 0.000 1.073 408 T CA -0.542 61.550 62.100 -0.013 0.000 0.999 408 T CB 1.334 70.171 68.868 -0.050 0.000 1.098 408 T HN 0.786 nan 8.240 nan 0.000 0.477 409 V N 1.837 121.757 119.914 0.010 0.000 2.769 409 V HA 0.912 5.032 4.120 0.001 0.000 0.312 409 V C -1.071 175.064 176.094 0.068 0.000 1.058 409 V CA -0.290 62.034 62.300 0.041 0.000 0.952 409 V CB 1.925 33.780 31.823 0.054 0.000 1.019 409 V HN 1.331 nan 8.190 nan 0.000 0.445 410 S N 6.283 122.031 115.700 0.080 0.000 2.562 410 S HA 0.468 4.938 4.470 0.001 0.000 0.274 410 S C -0.818 173.681 174.600 -0.169 0.000 1.160 410 S CA -0.583 57.602 58.200 -0.024 0.000 0.933 410 S CB 1.464 64.606 63.200 -0.098 0.000 1.100 410 S HN 0.843 nan 8.310 nan 0.000 0.468 411 M N 3.277 122.726 119.600 -0.251 0.000 2.201 411 M HA 0.343 4.824 4.480 0.001 0.000 0.345 411 M C -1.160 174.883 176.300 -0.429 0.000 1.352 411 M CA -0.245 54.725 55.300 -0.548 0.000 1.218 411 M CB 0.254 32.592 32.600 -0.437 0.000 1.512 411 M HN 0.547 nan 8.290 nan 0.000 0.447 412 V N 7.706 127.324 119.914 -0.495 0.000 2.532 412 V HA 0.506 4.627 4.120 0.001 0.000 0.295 412 V C -2.122 173.790 176.094 -0.303 0.000 1.041 412 V CA -1.632 60.401 62.300 -0.445 0.000 0.926 412 V CB 1.639 33.066 31.823 -0.660 0.000 0.992 412 V HN 0.639 nan 8.190 nan 0.000 0.457 413 P HA 0.249 nan 4.420 nan 0.000 0.276 413 P C 0.481 177.716 177.300 -0.109 0.000 1.244 413 P CA -0.164 62.849 63.100 -0.145 0.000 0.801 413 P CB 0.910 32.553 31.700 -0.095 0.000 1.006 414 A N 2.406 125.175 122.820 -0.084 0.000 1.873 414 A HA -0.291 4.029 4.320 0.001 0.000 0.219 414 A C 1.732 179.298 177.584 -0.029 0.000 1.269 414 A CA 2.496 54.502 52.037 -0.052 0.000 0.671 414 A CB -1.812 17.167 19.000 -0.035 0.000 0.842 414 A HN 0.520 nan 8.150 nan 0.000 0.460 415 D N -0.676 119.713 120.400 -0.019 0.000 2.309 415 D HA -0.058 4.582 4.640 0.001 0.000 0.212 415 D C 1.733 178.045 176.300 0.020 0.000 0.968 415 D CA 1.133 55.134 54.000 0.002 0.000 0.882 415 D CB -0.144 40.660 40.800 0.006 0.000 0.918 415 D HN 0.648 nan 8.370 nan 0.000 0.503 416 K N -0.069 120.344 120.400 0.020 0.000 2.356 416 K HA 0.019 4.339 4.320 0.001 0.000 0.195 416 K C 1.695 178.363 176.600 0.114 0.000 1.037 416 K CA -0.416 55.914 56.287 0.072 0.000 1.014 416 K CB 0.364 32.920 32.500 0.093 0.000 0.815 416 K HN -0.051 nan 8.250 nan 0.000 0.507 417 L N 2.898 124.154 121.223 0.056 0.000 2.056 417 L HA -0.253 4.087 4.340 0.001 0.000 0.237 417 L C -1.153 175.819 176.870 0.170 0.000 1.106 417 L CA 2.337 57.227 54.840 0.083 0.000 0.829 417 L CB -1.509 40.569 42.059 0.031 0.000 0.924 417 L HN 0.083 nan 8.230 nan 0.000 0.447 418 P HA -0.159 nan 4.420 nan 0.000 0.216 418 P C 2.064 179.419 177.300 0.091 0.000 1.150 418 P CA 2.191 65.349 63.100 0.097 0.000 0.843 418 P CB -0.153 31.584 31.700 0.061 0.000 0.787 419 S N -2.049 113.708 115.700 0.094 0.000 2.345 419 S HA -0.115 4.356 4.470 0.001 0.000 0.219 419 S C 1.676 176.276 174.600 0.000 0.000 1.031 419 S CA 0.470 58.696 58.200 0.043 0.000 0.984 419 S CB -1.169 62.076 63.200 0.074 0.000 0.874 419 S HN -0.023 nan 8.310 nan 0.000 0.451 420 F N 2.849 122.790 119.950 -0.015 0.000 2.021 420 F HA -0.245 4.283 4.527 0.001 0.000 0.297 420 F C 1.948 177.714 175.800 -0.057 0.000 1.152 420 F CA 2.173 60.173 58.000 0.001 0.000 1.201 420 F CB -0.888 38.137 39.000 0.042 0.000 0.951 420 F HN 0.204 nan 8.300 nan 0.000 0.504 421 L N -0.100 121.249 121.223 0.210 0.000 2.030 421 L HA -0.374 3.966 4.340 0.001 0.000 0.222 421 L C 2.727 179.654 176.870 0.095 0.000 1.082 421 L CA 1.825 56.743 54.840 0.129 0.000 0.785 421 L CB -1.599 40.587 42.059 0.211 0.000 0.895 421 L HN 0.441 nan 8.230 nan 0.000 0.439 422 A N -0.236 122.616 122.820 0.054 0.000 1.854 422 A HA -0.164 4.156 4.320 0.001 0.000 0.214 422 A C 2.068 179.578 177.584 -0.124 0.000 1.192 422 A CA 1.611 53.660 52.037 0.021 0.000 0.611 422 A CB -0.573 18.412 19.000 -0.025 0.000 0.832 422 A HN 0.460 nan 8.150 nan 0.000 0.442 423 N N 0.279 118.743 118.700 -0.394 0.000 2.166 423 N HA -0.126 4.615 4.740 0.001 0.000 0.186 423 N C 1.816 176.889 175.510 -0.729 0.000 1.019 423 N CA 1.673 54.251 53.050 -0.787 0.000 0.856 423 N CB -0.389 37.172 38.487 -1.544 0.000 0.993 423 N HN 0.277 nan 8.380 nan 0.000 0.426 424 V N 1.637 121.155 119.914 -0.661 0.000 2.261 424 V HA -0.225 3.896 4.120 0.001 0.000 0.246 424 V C 2.302 178.399 176.094 0.006 0.000 1.047 424 V CA 1.506 63.585 62.300 -0.370 0.000 1.015 424 V CB -0.811 30.635 31.823 -0.627 0.000 0.642 424 V HN 0.357 nan 8.190 nan 0.000 0.446 425 H N 0.566 119.638 119.070 0.003 0.000 2.292 425 H HA -0.240 4.317 4.556 0.001 0.000 0.292 425 H C 2.452 177.859 175.328 0.131 0.000 1.100 425 H CA 2.549 58.700 56.048 0.172 0.000 1.238 425 H CB -0.137 29.630 29.762 0.009 0.000 1.355 425 H HN 0.365 nan 8.280 nan 0.000 0.484 426 K N -0.278 120.218 120.400 0.159 0.000 2.009 426 K HA -0.144 4.176 4.320 0.001 0.000 0.210 426 K C 2.319 178.936 176.600 0.029 0.000 1.049 426 K CA 1.443 57.748 56.287 0.030 0.000 0.929 426 K CB -0.058 32.395 32.500 -0.078 0.000 0.714 426 K HN 0.241 nan 8.250 nan 0.000 0.440 427 A N -0.156 122.671 122.820 0.011 0.000 1.832 427 A HA -0.149 4.172 4.320 0.001 0.000 0.214 427 A C 2.094 179.694 177.584 0.026 0.000 1.204 427 A CA 1.267 53.339 52.037 0.058 0.000 0.606 427 A CB -0.994 18.106 19.000 0.168 0.000 0.849 427 A HN 0.468 nan 8.150 nan 0.000 0.445 428 Y N -0.717 119.500 120.300 -0.138 0.000 2.109 428 Y HA -0.194 4.357 4.550 0.001 0.000 0.285 428 Y C 2.327 178.016 175.900 -0.352 0.000 1.131 428 Y CA 1.829 59.727 58.100 -0.338 0.000 1.121 428 Y CB -0.678 37.394 38.460 -0.647 0.000 0.987 428 Y HN 0.401 nan 8.280 nan 0.000 0.495 429 Y N -0.086 120.272 120.300 0.096 0.000 2.070 429 Y HA -0.129 4.422 4.550 0.001 0.000 0.279 429 Y C 2.349 178.245 175.900 -0.007 0.000 1.134 429 Y CA 1.139 59.273 58.100 0.057 0.000 1.113 429 Y CB -1.333 37.228 38.460 0.169 0.000 0.981 429 Y HN 0.205 nan 8.280 nan 0.000 0.487 441 Q N 0.557 120.390 119.800 0.055 0.000 2.089 441 Q HA 0.040 4.380 4.340 0.001 0.000 0.195 441 Q C 1.347 177.444 176.000 0.162 0.000 0.963 441 Q CA 1.918 57.758 55.803 0.062 0.000 0.834 441 Q CB 0.010 28.768 28.738 0.032 0.000 0.906 441 Q HN 0.112 nan 8.270 nan 0.000 0.452 442 S N -0.160 115.558 115.700 0.030 0.000 2.497 442 S HA 0.241 4.712 4.470 0.001 0.000 0.221 442 S C 0.262 174.778 174.600 -0.140 0.000 1.037 442 S CA -0.381 57.801 58.200 -0.030 0.000 0.920 442 S CB 0.367 63.497 63.200 -0.116 0.000 0.800 442 S HN 0.253 nan 8.310 nan 0.000 0.505 443 L N 1.992 123.087 121.223 -0.214 0.000 2.385 443 L HA 0.778 5.118 4.340 0.001 0.000 0.273 443 L C -1.629 175.271 176.870 0.050 0.000 0.990 443 L CA -0.992 53.699 54.840 -0.249 0.000 0.821 443 L CB 1.389 43.093 42.059 -0.591 0.000 1.279 443 L HN 0.338 nan 8.230 nan 0.000 0.412 444 F N 2.659 122.596 119.950 -0.022 0.000 2.765 444 F HA 0.774 5.302 4.527 0.001 0.000 0.313 444 F C -0.756 175.071 175.800 0.046 0.000 1.136 444 F CA -0.801 57.206 58.000 0.011 0.000 0.952 444 F CB -0.056 38.944 39.000 0.000 0.000 1.268 444 F HN 0.688 nan 8.300 nan 0.000 0.441 445 A N 0.968 123.954 122.820 0.277 0.000 2.327 445 A HA 0.855 5.176 4.320 0.001 0.000 0.255 445 A C -0.249 177.508 177.584 0.290 0.000 1.099 445 A CA 0.180 52.331 52.037 0.190 0.000 0.801 445 A CB 0.370 19.453 19.000 0.137 0.000 1.062 445 A HN 0.988 nan 8.150 nan 0.000 0.496 446 T N -0.079 114.599 114.554 0.208 0.000 2.889 446 T HA 0.569 4.920 4.350 0.001 0.000 0.315 446 T C -0.829 173.968 174.700 0.160 0.000 1.291 446 T CA -0.665 61.559 62.100 0.206 0.000 1.028 446 T CB 1.709 70.698 68.868 0.201 0.000 1.235 446 T HN 0.811 nan 8.240 nan 0.000 0.491 447 K N 1.337 121.807 120.400 0.118 0.000 2.443 447 K HA 0.656 4.977 4.320 0.001 0.000 0.251 447 K C -2.868 173.763 176.600 0.051 0.000 0.972 447 K CA -2.263 54.077 56.287 0.088 0.000 0.833 447 K CB 1.639 34.183 32.500 0.073 0.000 1.317 447 K HN 0.169 nan 8.250 nan 0.000 0.441 448 P HA 0.108 nan 4.420 nan 0.000 0.268 448 P C -0.452 176.854 177.300 0.010 0.000 1.282 448 P CA -0.048 63.055 63.100 0.005 0.000 0.880 448 P CB 0.552 32.253 31.700 0.001 0.000 0.971 449 G N 2.844 111.648 108.800 0.007 0.000 2.562 449 G HA2 0.492 4.452 3.960 0.001 0.000 0.275 449 G HA3 0.492 4.452 3.960 0.001 0.000 0.275 449 G C 0.291 175.191 174.900 -0.000 0.000 1.196 449 G CA -0.484 44.620 45.100 0.006 0.000 0.908 449 G HN 0.476 nan 8.290 nan 0.000 0.524 450 G N -1.395 107.405 108.800 0.001 0.000 2.547 450 G HA2 0.571 4.531 3.960 0.001 0.000 0.291 450 G HA3 0.571 4.531 3.960 0.001 0.000 0.291 450 G C 0.448 175.343 174.900 -0.007 0.000 1.211 450 G CA 0.149 45.250 45.100 0.001 0.000 0.950 450 G HN 0.833 nan 8.290 nan 0.000 0.504 451 G N -1.104 107.696 108.800 -0.001 0.000 2.525 451 G HA2 0.606 4.566 3.960 0.001 0.000 0.287 451 G HA3 0.606 4.566 3.960 0.001 0.000 0.287 451 G C 0.492 175.377 174.900 -0.025 0.000 1.350 451 G CA 0.165 45.258 45.100 -0.013 0.000 1.039 451 G HN 1.120 nan 8.290 nan 0.000 0.513 452 A N -1.157 121.624 122.820 -0.066 0.000 2.531 452 A HA 0.528 4.849 4.320 0.001 0.000 0.236 452 A C -0.097 177.506 177.584 0.031 0.000 1.062 452 A CA 0.451 52.443 52.037 -0.075 0.000 0.760 452 A CB -0.047 18.806 19.000 -0.244 0.000 0.995 452 A HN 0.568 nan 8.150 nan 0.000 0.501 453 L N 1.786 123.030 121.223 0.035 0.000 2.469 453 L HA 0.430 4.771 4.340 0.001 0.000 0.256 453 L C -0.898 176.017 176.870 0.076 0.000 1.006 453 L CA -0.914 53.959 54.840 0.055 0.000 0.832 453 L CB 2.272 44.349 42.059 0.031 0.000 1.421 453 L HN 0.473 nan 8.230 nan 0.000 0.410 454 V N 2.664 122.622 119.914 0.073 0.000 2.532 454 V HA 0.486 4.606 4.120 0.001 0.000 0.295 454 V C -0.400 175.744 176.094 0.084 0.000 1.041 454 V CA -0.434 61.925 62.300 0.098 0.000 0.926 454 V CB 1.867 33.718 31.823 0.047 0.000 0.992 454 V HN 0.413 nan 8.190 nan 0.000 0.457 455 L N 5.502 126.812 121.223 0.145 0.000 2.349 455 L HA 0.582 4.922 4.340 0.001 0.000 0.278 455 L C -0.702 176.273 176.870 0.174 0.000 0.996 455 L CA -0.093 54.800 54.840 0.088 0.000 0.825 455 L CB 1.694 43.745 42.059 -0.015 0.000 1.243 455 L HN 0.397 nan 8.230 nan 0.000 0.412 456 L N 3.082 124.354 121.223 0.083 0.000 2.325 456 L HA 0.400 4.741 4.340 0.001 0.000 0.281 456 L C 0.086 176.993 176.870 0.062 0.000 1.004 456 L CA -0.493 54.411 54.840 0.107 0.000 0.823 456 L CB 2.095 44.184 42.059 0.051 0.000 1.236 456 L HN 0.650 nan 8.230 nan 0.000 0.415 457 E N 3.871 124.136 120.200 0.108 0.000 2.159 457 E HA 0.436 4.787 4.350 0.001 0.000 0.272 457 E C -0.816 175.813 176.600 0.048 0.000 1.138 457 E CA -0.140 56.297 56.400 0.062 0.000 0.915 457 E CB 0.797 30.564 29.700 0.113 0.000 1.028 457 E HN 0.639 nan 8.360 nan 0.000 0.423 458 A N 0.000 122.836 122.820 0.027 0.000 2.254 458 A HA 0.000 4.320 4.320 0.001 0.000 0.244 458 A CA 0.000 52.051 52.037 0.024 0.000 0.836 458 A CB 0.000 19.010 19.000 0.017 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486