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 2pvc_1_B DATA FIRST_RESID 34 DATA SEQUENCE GRDLIAYEVK ANQRNIEDIC ICCGSLQVHT QHPLFEGGIC APCKDKFLDA DATA SEQUENCE LFLYDDDGYQ SYCSICCSGE TLLICGNPDC TRCYCFECVD SLVGPGTSGK DATA SEQUENCE VHAMSNWVCY LCLPSSRSGL LQRRRKWRSQ LKAFYDRESE NPLEMFETVP DATA SEQUENCE VWRRQPVRVL SLFEDIKKEL TSLGFLESGS DPGQLKHVVD VTDTVRKDVE DATA SEQUENCE EWGPFDLVYG ATPPLGHTCD RPPSWYLFQF HRLLQYARPK PGSPGPFFWM DATA SEQUENCE FVDNLVLNKE DLDVASRFLE MEPVTIPDVH GGSLQNAVRV WSNIPAIRSR DATA SEQUENCE HWALVSEEEL SLLAQNKQSS KLAAKWPTKL VKNCFLPLRE YFKYFST 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 34 G C 0.000 174.891 174.900 -0.015 0.000 0.946 34 G CA 0.000 45.092 45.100 -0.013 0.000 0.502 35 R N 1.692 122.180 120.500 -0.020 0.000 2.117 35 R HA -0.096 4.244 4.340 -0.000 0.000 0.243 35 R C 1.714 178.000 176.300 -0.023 0.000 1.143 35 R CA 1.727 57.811 56.100 -0.026 0.000 0.968 35 R CB -0.564 29.717 30.300 -0.032 0.000 0.863 35 R HN 0.450 nan 8.270 nan 0.000 0.444 36 D N 1.234 121.621 120.400 -0.022 0.000 2.264 36 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 36 D C 1.746 178.043 176.300 -0.006 0.000 0.966 36 D CA 0.882 54.870 54.000 -0.020 0.000 0.864 36 D CB -0.098 40.685 40.800 -0.029 0.000 0.933 36 D HN 0.258 nan 8.370 nan 0.000 0.499 37 L N 0.750 121.970 121.223 -0.004 0.000 2.249 37 L HA 0.125 4.465 4.340 -0.000 0.000 0.207 37 L C 2.572 179.482 176.870 0.066 0.000 1.090 37 L CA 0.232 55.083 54.840 0.019 0.000 0.802 37 L CB -0.455 41.601 42.059 -0.006 0.000 0.947 37 L HN -0.026 nan 8.230 nan 0.000 0.453 38 I N 0.482 121.071 120.570 0.031 0.000 2.113 38 I HA -0.419 3.751 4.170 -0.000 0.000 0.242 38 I C 2.500 178.640 176.117 0.037 0.000 1.064 38 I CA 1.836 63.151 61.300 0.026 0.000 1.320 38 I CB -0.043 37.952 38.000 -0.009 0.000 1.028 38 I HN 0.247 nan 8.210 nan 0.000 0.406 39 A N -0.375 122.464 122.820 0.032 0.000 2.024 39 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 39 A C 2.171 179.786 177.584 0.052 0.000 1.164 39 A CA 1.833 53.884 52.037 0.025 0.000 0.643 39 A CB -1.101 17.907 19.000 0.013 0.000 0.806 39 A HN 0.758 nan 8.150 nan 0.000 0.451 40 Y N 0.596 120.882 120.300 -0.023 0.000 2.114 40 Y HA -0.166 4.384 4.550 -0.000 0.000 0.284 40 Y C 2.363 178.254 175.900 -0.015 0.000 1.119 40 Y CA 1.979 60.069 58.100 -0.018 0.000 1.108 40 Y CB -0.284 38.166 38.460 -0.017 0.000 0.995 40 Y HN 0.331 nan 8.280 nan 0.000 0.491 41 E N -0.131 120.176 120.200 0.178 0.000 2.172 41 E HA -0.285 4.065 4.350 -0.000 0.000 0.213 41 E C 2.248 178.822 176.600 -0.042 0.000 1.051 41 E CA 2.170 58.617 56.400 0.079 0.000 0.860 41 E CB -0.881 28.870 29.700 0.086 0.000 0.755 41 E HN 0.458 nan 8.360 nan 0.000 0.462 42 V N 0.630 120.519 119.914 -0.042 0.000 2.453 42 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 42 V C 2.040 178.080 176.094 -0.091 0.000 1.048 42 V CA 1.814 64.082 62.300 -0.054 0.000 1.049 42 V CB -0.282 31.520 31.823 -0.034 0.000 0.672 42 V HN 0.181 nan 8.190 nan 0.000 0.457 43 K N -0.488 119.828 120.400 -0.139 0.000 2.361 43 K HA 0.348 4.668 4.320 -0.000 0.000 0.194 43 K C 1.728 178.178 176.600 -0.249 0.000 1.032 43 K CA 0.744 56.938 56.287 -0.155 0.000 1.048 43 K CB 0.384 32.811 32.500 -0.123 0.000 0.842 43 K HN 0.443 nan 8.250 nan 0.000 0.526 44 A N 1.428 123.995 122.820 -0.421 0.000 2.182 44 A HA 0.043 4.363 4.320 -0.000 0.000 0.222 44 A C 1.200 178.606 177.584 -0.296 0.000 1.904 44 A CA 0.216 51.912 52.037 -0.570 0.000 0.808 44 A CB -0.434 17.622 19.000 -1.574 0.000 1.404 44 A HN 0.081 nan 8.150 nan 0.000 0.587 45 N N 0.960 119.525 118.700 -0.225 0.000 2.626 45 N HA 0.002 4.742 4.740 -0.000 0.000 0.193 45 N C -0.316 175.162 175.510 -0.053 0.000 1.213 45 N CA 0.472 53.485 53.050 -0.062 0.000 0.914 45 N CB -0.435 38.066 38.487 0.022 0.000 0.994 45 N HN 0.490 nan 8.380 nan 0.000 0.447 46 Q N -0.399 119.351 119.800 -0.084 0.000 2.411 46 Q HA -0.275 4.065 4.340 -0.000 0.000 0.305 46 Q C -0.290 175.692 176.000 -0.029 0.000 1.273 46 Q CA 0.585 56.354 55.803 -0.056 0.000 0.895 46 Q CB -0.591 28.120 28.738 -0.045 0.000 1.198 46 Q HN 0.383 nan 8.270 nan 0.000 0.470 47 R N 0.411 120.897 120.500 -0.022 0.000 2.828 47 R HA 0.276 4.616 4.340 -0.000 0.000 0.270 47 R C 0.376 176.674 176.300 -0.004 0.000 1.244 47 R CA -0.395 55.702 56.100 -0.005 0.000 1.143 47 R CB 0.077 30.380 30.300 0.004 0.000 1.128 47 R HN 0.151 nan 8.270 nan 0.000 0.587 48 N N 0.785 119.488 118.700 0.006 0.000 2.524 48 N HA 0.125 4.865 4.740 -0.000 0.000 0.261 48 N C 1.387 176.905 175.510 0.014 0.000 0.998 48 N CA -0.316 52.740 53.050 0.010 0.000 0.915 48 N CB 0.510 39.007 38.487 0.017 0.000 1.187 48 N HN 0.459 nan 8.380 nan 0.000 0.507 49 I N 0.874 121.449 120.570 0.009 0.000 2.317 49 I HA -0.413 3.757 4.170 -0.000 0.000 0.244 49 I C 1.184 177.312 176.117 0.019 0.000 0.986 49 I CA 1.619 62.923 61.300 0.007 0.000 1.286 49 I CB -1.214 36.789 38.000 0.005 0.000 0.983 49 I HN 0.653 nan 8.210 nan 0.000 0.422 50 E N 0.973 121.192 120.200 0.032 0.000 2.483 50 E HA -0.195 4.155 4.350 -0.000 0.000 0.205 50 E C 0.906 177.532 176.600 0.044 0.000 1.075 50 E CA 1.191 57.620 56.400 0.047 0.000 0.889 50 E CB -0.371 29.360 29.700 0.051 0.000 0.816 50 E HN 0.718 nan 8.360 nan 0.000 0.567 51 D N -0.066 120.353 120.400 0.032 0.000 2.433 51 D HA 0.159 4.799 4.640 -0.000 0.000 0.211 51 D C 0.575 176.891 176.300 0.026 0.000 1.114 51 D CA 0.090 54.108 54.000 0.030 0.000 0.837 51 D CB 0.947 41.761 40.800 0.024 0.000 0.984 51 D HN 0.175 nan 8.370 nan 0.000 0.505 52 I N 0.785 121.368 120.570 0.021 0.000 2.466 52 I HA 0.190 4.360 4.170 -0.000 0.000 0.289 52 I C 0.281 176.403 176.117 0.008 0.000 1.026 52 I CA -1.078 60.230 61.300 0.014 0.000 1.078 52 I CB 2.439 40.442 38.000 0.005 0.000 1.249 52 I HN -0.179 nan 8.210 nan 0.000 0.429 53 C N 7.665 126.973 119.300 0.013 0.000 2.738 53 C HA 0.117 4.577 4.460 -0.000 0.000 0.390 53 C C 2.138 177.109 174.990 -0.032 0.000 1.311 53 C CA -0.475 58.548 59.018 0.009 0.000 1.385 53 C CB -1.824 25.930 27.740 0.024 0.000 2.175 53 C HN 0.842 nan 8.230 nan 0.000 0.607 54 I N 2.703 123.230 120.570 -0.072 0.000 2.908 54 I HA -0.109 4.061 4.170 -0.000 0.000 0.271 54 I C 1.978 178.010 176.117 -0.142 0.000 1.275 54 I CA 1.087 62.309 61.300 -0.128 0.000 1.446 54 I CB -1.098 36.777 38.000 -0.209 0.000 1.092 54 I HN 0.604 nan 8.210 nan 0.000 0.482 55 C N 1.444 120.681 119.300 -0.105 0.000 2.675 55 C HA -0.045 4.415 4.460 -0.000 0.000 0.285 55 C C 2.575 177.540 174.990 -0.042 0.000 1.282 55 C CA 1.001 59.974 59.018 -0.075 0.000 1.708 55 C CB -0.507 27.215 27.740 -0.030 0.000 2.134 55 C HN 0.877 nan 8.230 nan 0.000 0.494 56 C N 0.429 119.718 119.300 -0.018 0.000 2.647 56 C HA 0.585 5.045 4.460 -0.000 0.000 0.296 56 C C 1.575 176.559 174.990 -0.010 0.000 1.403 56 C CA -0.268 58.744 59.018 -0.009 0.000 1.781 56 C CB -1.561 26.183 27.740 0.007 0.000 2.464 56 C HN 0.930 nan 8.230 nan 0.000 0.559 57 G N 2.036 110.824 108.800 -0.019 0.000 2.352 57 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.295 57 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.295 57 G C 0.367 175.266 174.900 -0.000 0.000 0.991 57 G CA 0.946 46.038 45.100 -0.013 0.000 0.796 57 G HN 1.052 nan 8.290 nan 0.000 0.511 58 S N -1.798 113.905 115.700 0.006 0.000 2.617 58 S HA 0.541 5.011 4.470 -0.000 0.000 0.259 58 S C 1.436 176.045 174.600 0.016 0.000 1.301 58 S CA 0.002 58.209 58.200 0.012 0.000 0.984 58 S CB 0.742 63.952 63.200 0.017 0.000 0.954 58 S HN 0.328 nan 8.310 nan 0.000 0.572 59 L N 1.043 122.276 121.223 0.016 0.000 2.638 59 L HA 0.350 4.690 4.340 -0.000 0.000 0.232 59 L C 0.887 177.768 176.870 0.018 0.000 1.099 59 L CA 0.491 55.341 54.840 0.017 0.000 0.883 59 L CB -0.164 41.904 42.059 0.016 0.000 1.136 59 L HN 0.611 nan 8.230 nan 0.000 0.492 60 Q N 1.744 121.553 119.800 0.016 0.000 2.844 60 Q HA 0.248 4.588 4.340 -0.000 0.000 0.235 60 Q C -0.243 175.772 176.000 0.023 0.000 1.336 60 Q CA -0.396 55.413 55.803 0.011 0.000 1.026 60 Q CB 0.625 29.364 28.738 0.002 0.000 1.513 60 Q HN 0.267 nan 8.270 nan 0.000 0.577 61 V N -1.705 118.229 119.914 0.034 0.000 3.051 61 V HA 0.074 4.194 4.120 -0.000 0.000 0.306 61 V C 0.610 176.753 176.094 0.082 0.000 1.083 61 V CA -0.138 62.203 62.300 0.068 0.000 1.104 61 V CB 1.324 33.188 31.823 0.069 0.000 1.027 61 V HN 0.624 nan 8.190 nan 0.000 0.483 62 H N 1.474 120.564 119.070 0.034 0.000 2.329 62 H HA 0.360 4.916 4.556 -0.000 0.000 0.285 62 H C 0.563 175.905 175.328 0.023 0.000 1.062 62 H CA 1.321 57.383 56.048 0.024 0.000 1.511 62 H CB 1.136 30.912 29.762 0.023 0.000 1.471 62 H HN 0.809 nan 8.280 nan 0.000 0.613 63 T N 1.588 116.285 114.554 0.239 0.000 2.993 63 T HA 0.266 4.616 4.350 -0.000 0.000 0.312 63 T C -1.085 173.698 174.700 0.138 0.000 1.115 63 T CA -0.809 61.366 62.100 0.124 0.000 1.027 63 T CB 1.297 70.156 68.868 -0.015 0.000 1.116 63 T HN 0.483 nan 8.240 nan 0.000 0.464 64 Q N 2.668 122.550 119.800 0.138 0.000 2.427 64 Q HA -0.030 4.310 4.340 -0.000 0.000 0.310 64 Q C -0.323 175.796 176.000 0.199 0.000 1.167 64 Q CA 0.215 56.111 55.803 0.157 0.000 0.991 64 Q CB 0.114 28.932 28.738 0.134 0.000 1.287 64 Q HN 0.726 nan 8.270 nan 0.000 0.443 65 H N 2.152 121.255 119.070 0.055 0.000 2.722 65 H HA 0.132 4.688 4.556 -0.000 0.000 0.328 65 H C -2.010 173.285 175.328 -0.056 0.000 1.067 65 H CA -1.370 54.641 56.048 -0.062 0.000 1.447 65 H CB 1.038 30.737 29.762 -0.105 0.000 1.469 65 H HN 0.459 nan 8.280 nan 0.000 0.544 66 P HA -0.242 nan 4.420 nan 0.000 0.201 66 P C 1.338 178.544 177.300 -0.156 0.000 1.046 66 P CA 1.163 64.053 63.100 -0.351 0.000 0.942 66 P CB 0.195 31.559 31.700 -0.560 0.000 0.733 67 L N -2.965 118.104 121.223 -0.256 0.000 1.990 67 L HA -0.121 4.219 4.340 -0.000 0.000 0.213 67 L C 1.244 177.883 176.870 -0.385 0.000 1.072 67 L CA 1.740 56.411 54.840 -0.283 0.000 0.755 67 L CB -1.296 40.547 42.059 -0.360 0.000 0.889 67 L HN -0.059 nan 8.230 nan 0.000 0.432 68 F N -1.430 118.671 119.950 0.252 0.000 2.523 68 F HA 0.347 4.874 4.527 -0.000 0.000 0.329 68 F C 0.630 176.471 175.800 0.068 0.000 1.061 68 F CA -1.467 56.562 58.000 0.047 0.000 0.967 68 F CB 0.760 39.693 39.000 -0.112 0.000 1.218 68 F HN -0.175 nan 8.300 nan 0.000 0.480 69 E N 1.140 121.466 120.200 0.210 0.000 2.493 69 E HA 0.415 4.765 4.350 -0.000 0.000 0.255 69 E C 0.062 176.714 176.600 0.087 0.000 0.999 69 E CA 0.625 57.103 56.400 0.130 0.000 0.934 69 E CB -0.073 29.687 29.700 0.101 0.000 0.940 69 E HN 0.837 nan 8.360 nan 0.000 0.473 70 G N 2.121 110.975 108.800 0.090 0.000 2.353 70 G HA2 0.340 4.300 3.960 -0.000 0.000 0.308 70 G HA3 0.340 4.300 3.960 -0.000 0.000 0.308 70 G C -0.224 174.732 174.900 0.093 0.000 1.418 70 G CA -0.582 44.550 45.100 0.053 0.000 0.966 70 G HN 0.743 nan 8.290 nan 0.000 0.638 71 G N -1.349 107.492 108.800 0.069 0.000 2.532 71 G HA2 0.759 4.719 3.960 -0.000 0.000 0.291 71 G HA3 0.759 4.719 3.960 -0.000 0.000 0.291 71 G C -0.404 174.558 174.900 0.103 0.000 1.349 71 G CA -0.764 44.395 45.100 0.097 0.000 1.038 71 G HN 0.921 nan 8.290 nan 0.000 0.518 72 I N -0.238 120.404 120.570 0.120 0.000 2.692 72 I HA 0.226 4.396 4.170 -0.000 0.000 0.293 72 I C 0.139 176.338 176.117 0.136 0.000 1.200 72 I CA -0.552 60.819 61.300 0.120 0.000 1.036 72 I CB 1.519 39.607 38.000 0.146 0.000 1.258 72 I HN 0.794 nan 8.210 nan 0.000 0.421 73 C N 3.279 122.645 119.300 0.110 0.000 2.422 73 C HA 0.758 5.218 4.460 -0.000 0.000 0.364 73 C C 1.868 176.952 174.990 0.156 0.000 1.251 73 C CA 0.244 59.331 59.018 0.115 0.000 2.441 73 C CB 1.195 28.978 27.740 0.071 0.000 2.393 73 C HN 1.002 nan 8.230 nan 0.000 0.606 74 A N 2.533 125.458 122.820 0.174 0.000 1.837 74 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 74 A C -0.002 177.664 177.584 0.138 0.000 1.210 74 A CA 2.272 54.441 52.037 0.221 0.000 0.632 74 A CB -2.279 16.822 19.000 0.169 0.000 0.843 74 A HN 0.799 nan 8.150 nan 0.000 0.448 75 P HA -0.205 nan 4.420 nan 0.000 0.219 75 P C 1.541 178.890 177.300 0.081 0.000 1.153 75 P CA 1.796 64.940 63.100 0.074 0.000 0.865 75 P CB -0.313 31.420 31.700 0.054 0.000 0.788 76 C N -0.904 118.450 119.300 0.089 0.000 2.466 76 C HA -0.064 4.396 4.460 -0.000 0.000 0.278 76 C C 2.666 177.736 174.990 0.134 0.000 1.288 76 C CA 0.638 59.712 59.018 0.094 0.000 1.722 76 C CB -1.289 26.496 27.740 0.075 0.000 2.017 76 C HN 0.308 nan 8.230 nan 0.000 0.488 77 K N 1.255 121.747 120.400 0.154 0.000 2.002 77 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 77 K C 1.367 178.096 176.600 0.215 0.000 1.048 77 K CA 2.310 58.735 56.287 0.229 0.000 0.930 77 K CB -0.496 32.111 32.500 0.177 0.000 0.714 77 K HN 0.298 nan 8.250 nan 0.000 0.438 78 D N 0.779 121.255 120.400 0.126 0.000 2.254 78 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 78 D C 1.761 178.098 176.300 0.062 0.000 0.998 78 D CA 1.079 55.126 54.000 0.078 0.000 0.885 78 D CB 0.074 40.907 40.800 0.057 0.000 0.915 78 D HN 0.185 nan 8.370 nan 0.000 0.460 79 K N -0.539 119.914 120.400 0.088 0.000 2.137 79 K HA 0.029 4.349 4.320 -0.000 0.000 0.202 79 K C 1.995 178.623 176.600 0.047 0.000 1.052 79 K CA 0.014 56.330 56.287 0.048 0.000 0.961 79 K CB -0.587 31.954 32.500 0.067 0.000 0.741 79 K HN 0.267 nan 8.250 nan 0.000 0.452 80 F N 1.589 121.514 119.950 -0.043 0.000 2.091 80 F HA -0.313 4.214 4.527 -0.000 0.000 0.299 80 F C 1.748 177.466 175.800 -0.137 0.000 1.103 80 F CA 1.000 58.943 58.000 -0.094 0.000 1.228 80 F CB 0.042 38.998 39.000 -0.074 0.000 0.984 80 F HN -0.101 nan 8.300 nan 0.000 0.477 81 L N 0.566 121.749 121.223 -0.066 0.000 1.976 81 L HA -0.282 4.057 4.340 -0.000 0.000 0.209 81 L C 2.242 178.960 176.870 -0.254 0.000 1.071 81 L CA 1.906 56.612 54.840 -0.223 0.000 0.746 81 L CB -1.583 40.416 42.059 -0.101 0.000 0.890 81 L HN 0.218 nan 8.230 nan 0.000 0.432 82 D N -0.246 120.057 120.400 -0.160 0.000 2.347 82 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 82 D C 0.391 176.544 176.300 -0.245 0.000 0.994 82 D CA 1.258 55.161 54.000 -0.162 0.000 0.924 82 D CB 0.253 40.987 40.800 -0.110 0.000 0.892 82 D HN 0.323 nan 8.370 nan 0.000 0.471 83 A N 0.402 123.018 122.820 -0.340 0.000 3.300 83 A HA 0.249 4.569 4.320 -0.000 0.000 0.300 83 A C 0.620 177.937 177.584 -0.445 0.000 1.099 83 A CA -0.544 51.232 52.037 -0.435 0.000 0.846 83 A CB 0.263 18.796 19.000 -0.778 0.000 1.255 83 A HN 0.118 nan 8.150 nan 0.000 0.519 84 L N -0.504 120.502 121.223 -0.361 0.000 2.145 84 L HA 0.296 4.636 4.340 -0.000 0.000 0.201 84 L C 0.364 176.929 176.870 -0.508 0.000 1.075 84 L CA 1.645 56.192 54.840 -0.487 0.000 0.773 84 L CB -0.061 41.781 42.059 -0.361 0.000 0.936 84 L HN 0.707 nan 8.230 nan 0.000 0.451 85 F N 0.542 120.456 119.950 -0.060 0.000 2.879 85 F HA 0.277 4.804 4.527 -0.000 0.000 0.354 85 F C -0.018 175.904 175.800 0.202 0.000 1.291 85 F CA -0.428 57.639 58.000 0.111 0.000 1.238 85 F CB 0.333 39.369 39.000 0.061 0.000 1.005 85 F HN -0.184 nan 8.300 nan 0.000 0.508 86 L N 1.746 123.066 121.223 0.161 0.000 2.295 86 L HA 0.246 4.586 4.340 -0.000 0.000 0.288 86 L C -0.457 176.536 176.870 0.204 0.000 1.079 86 L CA -0.095 54.830 54.840 0.142 0.000 0.830 86 L CB -0.515 41.517 42.059 -0.044 0.000 1.200 86 L HN 0.198 nan 8.230 nan 0.000 0.438 87 Y N 1.753 122.074 120.300 0.036 0.000 2.618 87 Y HA 0.515 5.065 4.550 -0.000 0.000 0.326 87 Y C 0.552 176.479 175.900 0.045 0.000 1.168 87 Y CA -1.005 57.118 58.100 0.038 0.000 1.269 87 Y CB 1.317 39.786 38.460 0.016 0.000 1.388 87 Y HN 0.488 nan 8.280 nan 0.000 0.528 88 D N -0.725 119.793 120.400 0.197 0.000 2.645 88 D HA 0.118 4.758 4.640 -0.000 0.000 0.228 88 D C -0.253 176.111 176.300 0.107 0.000 1.148 88 D CA -0.419 53.656 54.000 0.125 0.000 0.860 88 D CB 1.976 42.826 40.800 0.083 0.000 1.548 88 D HN 0.532 nan 8.370 nan 0.000 0.460 89 D N 0.933 121.382 120.400 0.081 0.000 2.263 89 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 89 D C 1.297 177.631 176.300 0.056 0.000 1.013 89 D CA 1.844 55.880 54.000 0.059 0.000 0.892 89 D CB 0.014 40.844 40.800 0.049 0.000 0.909 89 D HN 0.556 nan 8.370 nan 0.000 0.449 90 D N -0.522 119.923 120.400 0.075 0.000 2.178 90 D HA -0.066 4.574 4.640 -0.000 0.000 0.201 90 D C 1.726 178.065 176.300 0.065 0.000 0.980 90 D CA 1.693 55.750 54.000 0.096 0.000 0.842 90 D CB -0.515 40.371 40.800 0.143 0.000 0.948 90 D HN 0.365 nan 8.370 nan 0.000 0.472 91 G N -1.724 107.104 108.800 0.046 0.000 2.184 91 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.206 91 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.206 91 G C -0.187 174.611 174.900 -0.169 0.000 0.995 91 G CA -0.040 45.021 45.100 -0.065 0.000 0.651 91 G HN 0.378 nan 8.290 nan 0.000 0.511 92 Y N 0.772 121.074 120.300 0.003 0.000 2.534 92 Y HA 0.629 5.179 4.550 -0.000 0.000 0.329 92 Y C 1.189 176.856 175.900 -0.387 0.000 1.154 92 Y CA -0.768 57.249 58.100 -0.137 0.000 1.192 92 Y CB 0.789 39.187 38.460 -0.105 0.000 1.275 92 Y HN 0.174 nan 8.280 nan 0.000 0.491 93 Q N -0.016 119.518 119.800 -0.444 0.000 2.479 93 Q HA -0.019 4.321 4.340 -0.000 0.000 0.267 93 Q C 0.802 176.664 176.000 -0.229 0.000 1.071 93 Q CA 0.348 55.747 55.803 -0.672 0.000 0.935 93 Q CB 0.761 29.201 28.738 -0.497 0.000 1.295 93 Q HN 0.769 nan 8.270 nan 0.000 0.476 94 S N 0.677 116.317 115.700 -0.100 0.000 2.387 94 S HA 0.042 4.512 4.470 -0.000 0.000 0.221 94 S C -0.094 174.615 174.600 0.182 0.000 1.041 94 S CA 0.377 58.643 58.200 0.109 0.000 0.959 94 S CB 0.255 63.641 63.200 0.310 0.000 0.843 94 S HN 0.488 nan 8.310 nan 0.000 0.488 95 Y N 0.074 120.289 120.300 -0.141 0.000 2.602 95 Y HA 0.448 4.998 4.550 -0.000 0.000 0.330 95 Y C 0.701 176.523 175.900 -0.130 0.000 1.114 95 Y CA -1.674 56.356 58.100 -0.115 0.000 1.182 95 Y CB 0.609 39.018 38.460 -0.086 0.000 1.305 95 Y HN 0.076 nan 8.280 nan 0.000 0.502 96 C N 1.715 121.055 119.300 0.067 0.000 2.465 96 C HA -0.096 4.364 4.460 -0.000 0.000 0.402 96 C C 1.688 176.641 174.990 -0.061 0.000 1.448 96 C CA 0.523 59.524 59.018 -0.029 0.000 1.589 96 C CB -0.767 26.971 27.740 -0.004 0.000 2.535 96 C HN 0.997 nan 8.230 nan 0.000 0.600 97 S N 4.149 119.703 115.700 -0.244 0.000 2.400 97 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 97 S C 1.465 176.064 174.600 -0.002 0.000 1.025 97 S CA 2.105 60.160 58.200 -0.242 0.000 0.993 97 S CB -0.151 62.660 63.200 -0.648 0.000 0.808 97 S HN 0.857 nan 8.310 nan 0.000 0.478 98 I N 0.481 121.028 120.570 -0.039 0.000 2.729 98 I HA 0.001 4.171 4.170 -0.000 0.000 0.256 98 I C 2.368 178.493 176.117 0.014 0.000 1.115 98 I CA 0.673 61.976 61.300 0.006 0.000 1.446 98 I CB -0.223 37.663 38.000 -0.189 0.000 1.176 98 I HN 0.458 nan 8.210 nan 0.000 0.446 99 C N -1.249 118.055 119.300 0.006 0.000 2.912 99 C HA 0.322 4.782 4.460 -0.000 0.000 0.274 99 C C 1.518 176.568 174.990 0.099 0.000 1.248 99 C CA -0.855 58.181 59.018 0.030 0.000 1.694 99 C CB -0.963 26.775 27.740 -0.004 0.000 2.024 99 C HN 0.694 nan 8.230 nan 0.000 0.605 100 C N 2.134 121.517 119.300 0.137 0.000 4.456 100 C HA -0.123 4.337 4.460 -0.000 0.000 0.288 100 C C 0.925 176.084 174.990 0.282 0.000 1.374 100 C CA 0.776 59.928 59.018 0.223 0.000 1.956 100 C CB -3.664 24.179 27.740 0.171 0.000 1.255 100 C HN 0.934 nan 8.230 nan 0.000 0.788 101 S N 0.360 116.134 115.700 0.123 0.000 2.572 101 S HA 0.471 4.941 4.470 -0.000 0.000 0.279 101 S C 1.363 175.904 174.600 -0.100 0.000 1.341 101 S CA 0.677 58.898 58.200 0.034 0.000 1.043 101 S CB 1.229 64.427 63.200 -0.003 0.000 0.887 101 S HN 0.900 nan 8.310 nan 0.000 0.516 102 G N 2.809 111.497 108.800 -0.186 0.000 2.939 102 G HA2 0.116 4.076 3.960 -0.000 0.000 0.210 102 G HA3 0.116 4.076 3.960 -0.000 0.000 0.210 102 G C 0.572 175.313 174.900 -0.264 0.000 1.160 102 G CA -0.181 44.679 45.100 -0.399 0.000 0.770 102 G HN 0.645 nan 8.290 nan 0.000 0.543 103 E N 1.136 121.240 120.200 -0.160 0.000 2.973 103 E HA 0.069 4.419 4.350 -0.000 0.000 0.279 103 E C 0.969 177.466 176.600 -0.172 0.000 1.473 103 E CA 0.373 56.700 56.400 -0.122 0.000 1.251 103 E CB -0.378 29.289 29.700 -0.054 0.000 1.063 103 E HN 0.236 nan 8.360 nan 0.000 0.685 104 T N -1.127 113.320 114.554 -0.178 0.000 2.918 104 T HA 0.471 4.821 4.350 -0.000 0.000 0.302 104 T C 0.245 174.668 174.700 -0.463 0.000 1.045 104 T CA -0.444 61.471 62.100 -0.309 0.000 1.114 104 T CB 0.174 68.838 68.868 -0.339 0.000 0.965 104 T HN 0.238 nan 8.240 nan 0.000 0.540 105 L N 2.170 123.120 121.223 -0.455 0.000 2.401 105 L HA 0.483 4.823 4.340 -0.000 0.000 0.266 105 L C -0.310 176.321 176.870 -0.398 0.000 0.991 105 L CA -1.209 53.395 54.840 -0.393 0.000 0.818 105 L CB 2.044 43.978 42.059 -0.208 0.000 1.321 105 L HN 0.572 nan 8.230 nan 0.000 0.413 106 L N 3.584 124.618 121.223 -0.314 0.000 2.319 106 L HA 0.406 4.746 4.340 -0.000 0.000 0.280 106 L C -0.100 176.840 176.870 0.117 0.000 1.099 106 L CA 0.005 54.722 54.840 -0.205 0.000 0.828 106 L CB 0.816 42.697 42.059 -0.297 0.000 1.150 106 L HN 0.425 nan 8.230 nan 0.000 0.442 107 I N 1.517 122.118 120.570 0.052 0.000 2.664 107 I HA 0.203 4.373 4.170 -0.000 0.000 0.308 107 I C 0.383 176.616 176.117 0.194 0.000 0.984 107 I CA -0.424 60.877 61.300 0.003 0.000 1.213 107 I CB 2.010 39.773 38.000 -0.395 0.000 1.379 107 I HN 0.626 nan 8.210 nan 0.000 0.501 108 C N 2.779 122.097 119.300 0.030 0.000 2.649 108 C HA 0.335 4.795 4.460 -0.000 0.000 0.377 108 C C 1.661 176.658 174.990 0.013 0.000 1.321 108 C CA -0.016 58.956 59.018 -0.076 0.000 2.368 108 C CB 0.426 28.110 27.740 -0.094 0.000 2.597 108 C HN 0.982 nan 8.230 nan 0.000 0.678 109 G N 2.166 110.956 108.800 -0.016 0.000 3.020 109 G HA2 0.073 4.033 3.960 -0.000 0.000 0.217 109 G HA3 0.073 4.033 3.960 -0.000 0.000 0.217 109 G C 0.453 175.384 174.900 0.053 0.000 1.144 109 G CA 0.040 45.175 45.100 0.058 0.000 0.760 109 G HN 0.732 nan 8.290 nan 0.000 0.548 110 N N 0.594 119.306 118.700 0.020 0.000 2.515 110 N HA 0.251 4.991 4.740 -0.000 0.000 0.279 110 N C -1.900 173.670 175.510 0.099 0.000 1.164 110 N CA -1.347 51.727 53.050 0.041 0.000 0.982 110 N CB 2.492 40.976 38.487 -0.005 0.000 1.170 110 N HN -0.192 nan 8.380 nan 0.000 0.474 111 P HA 0.183 nan 4.420 nan 0.000 0.245 111 P C -0.091 177.264 177.300 0.093 0.000 1.199 111 P CA 0.351 63.538 63.100 0.145 0.000 0.807 111 P CB 0.557 32.385 31.700 0.213 0.000 1.002 112 D N -1.226 119.222 120.400 0.081 0.000 2.234 112 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 112 D C 0.661 176.961 176.300 0.000 0.000 0.962 112 D CA 0.494 54.523 54.000 0.047 0.000 0.855 112 D CB -0.652 40.171 40.800 0.039 0.000 0.951 112 D HN 0.139 nan 8.370 nan 0.000 0.500 113 C N 0.814 120.130 119.300 0.025 0.000 2.398 113 C HA 0.445 4.905 4.460 -0.000 0.000 0.364 113 C C 1.616 176.664 174.990 0.097 0.000 1.219 113 C CA -0.012 59.036 59.018 0.050 0.000 2.312 113 C CB 0.556 28.323 27.740 0.044 0.000 2.428 113 C HN 0.430 nan 8.230 nan 0.000 0.564 114 T N 1.010 115.627 114.554 0.105 0.000 3.016 114 T HA 0.232 4.582 4.350 -0.000 0.000 0.271 114 T C 0.474 175.289 174.700 0.191 0.000 0.968 114 T CA -0.317 61.879 62.100 0.159 0.000 0.891 114 T CB -0.119 68.753 68.868 0.007 0.000 1.149 114 T HN 0.757 nan 8.240 nan 0.000 0.524 115 R N 0.616 121.166 120.500 0.084 0.000 2.679 115 R HA 0.503 4.843 4.340 -0.000 0.000 0.268 115 R C -0.666 175.665 176.300 0.051 0.000 1.044 115 R CA -0.232 55.863 56.100 -0.007 0.000 1.105 115 R CB 0.178 30.461 30.300 -0.028 0.000 0.989 115 R HN 0.250 nan 8.270 nan 0.000 0.447 116 C N 2.180 121.443 119.300 -0.062 0.000 2.563 116 C HA 0.445 4.905 4.460 -0.000 0.000 0.314 116 C C -0.956 174.024 174.990 -0.017 0.000 1.199 116 C CA -0.783 58.258 59.018 0.038 0.000 1.564 116 C CB 0.660 28.365 27.740 -0.058 0.000 2.173 116 C HN 0.711 nan 8.230 nan 0.000 0.485 117 Y N 1.140 121.500 120.300 0.099 0.000 2.341 117 Y HA 0.408 4.958 4.550 -0.000 0.000 0.338 117 Y C 0.825 176.723 175.900 -0.002 0.000 0.965 117 Y CA -0.658 57.514 58.100 0.120 0.000 1.108 117 Y CB 1.063 39.733 38.460 0.349 0.000 1.180 117 Y HN 0.833 nan 8.280 nan 0.000 0.458 118 C N 5.498 124.863 119.300 0.109 0.000 2.633 118 C HA 0.064 4.524 4.460 -0.000 0.000 0.415 118 C C 1.891 176.950 174.990 0.115 0.000 1.393 118 C CA -0.235 58.800 59.018 0.029 0.000 1.700 118 C CB -1.520 26.227 27.740 0.012 0.000 2.541 118 C HN 1.058 nan 8.230 nan 0.000 0.603 119 F N 2.069 121.994 119.950 -0.041 0.000 2.048 119 F HA -0.256 4.271 4.527 -0.000 0.000 0.296 119 F C 2.415 178.179 175.800 -0.060 0.000 1.109 119 F CA 2.532 60.491 58.000 -0.068 0.000 1.214 119 F CB -0.008 38.945 39.000 -0.078 0.000 0.963 119 F HN 0.774 nan 8.300 nan 0.000 0.491 120 E N -0.816 119.482 120.200 0.164 0.000 2.051 120 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 120 E C 2.195 178.797 176.600 0.004 0.000 0.991 120 E CA 1.343 57.768 56.400 0.042 0.000 0.799 120 E CB -0.623 29.092 29.700 0.026 0.000 0.748 120 E HN 0.445 nan 8.360 nan 0.000 0.449 121 C N 0.876 120.180 119.300 0.006 0.000 2.367 121 C HA -0.189 4.271 4.460 -0.000 0.000 0.276 121 C C 2.823 177.764 174.990 -0.083 0.000 1.195 121 C CA 1.040 60.028 59.018 -0.049 0.000 1.756 121 C CB -0.889 26.827 27.740 -0.039 0.000 2.046 121 C HN 0.260 nan 8.230 nan 0.000 0.453 122 V N 1.212 121.111 119.914 -0.026 0.000 2.215 122 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 122 V C 2.200 178.241 176.094 -0.089 0.000 1.054 122 V CA 2.561 64.823 62.300 -0.063 0.000 1.012 122 V CB -0.992 30.851 31.823 0.034 0.000 0.639 122 V HN 0.533 nan 8.190 nan 0.000 0.448 123 D N 0.709 121.077 120.400 -0.052 0.000 2.133 123 D HA -0.191 4.449 4.640 -0.000 0.000 0.192 123 D C 2.381 178.639 176.300 -0.071 0.000 1.001 123 D CA 2.291 56.252 54.000 -0.065 0.000 0.844 123 D CB -0.292 40.465 40.800 -0.072 0.000 0.944 123 D HN 0.648 nan 8.370 nan 0.000 0.447 124 S N -0.182 115.476 115.700 -0.070 0.000 2.447 124 S HA -0.061 4.409 4.470 -0.000 0.000 0.233 124 S C 2.091 176.639 174.600 -0.086 0.000 1.006 124 S CA 0.625 58.783 58.200 -0.069 0.000 0.957 124 S CB -0.188 62.975 63.200 -0.062 0.000 0.773 124 S HN 0.249 nan 8.310 nan 0.000 0.507 125 L N 0.025 121.173 121.223 -0.126 0.000 2.547 125 L HA 0.280 4.620 4.340 -0.000 0.000 0.218 125 L C 2.298 179.072 176.870 -0.160 0.000 1.048 125 L CA 0.123 54.870 54.840 -0.155 0.000 0.859 125 L CB -0.085 41.837 42.059 -0.229 0.000 1.128 125 L HN 0.135 nan 8.230 nan 0.000 0.483 126 V N -0.187 119.620 119.914 -0.178 0.000 2.407 126 V HA 0.261 4.381 4.120 -0.000 0.000 0.245 126 V C 1.014 177.064 176.094 -0.073 0.000 1.041 126 V CA 1.120 63.330 62.300 -0.149 0.000 1.040 126 V CB -0.673 31.065 31.823 -0.143 0.000 0.671 126 V HN 0.504 nan 8.190 nan 0.000 0.455 127 G N -0.867 107.895 108.800 -0.064 0.000 2.350 127 G HA2 0.314 4.274 3.960 -0.000 0.000 0.305 127 G HA3 0.314 4.274 3.960 -0.000 0.000 0.305 127 G C -3.588 171.285 174.900 -0.045 0.000 1.479 127 G CA -0.905 44.169 45.100 -0.042 0.000 0.949 127 G HN 0.016 nan 8.290 nan 0.000 0.651 128 P HA 0.480 nan 4.420 nan 0.000 0.284 128 P C 0.645 177.915 177.300 -0.050 0.000 1.253 128 P CA 1.376 64.448 63.100 -0.047 0.000 0.800 128 P CB 1.386 33.063 31.700 -0.038 0.000 0.961 129 G N 1.749 110.509 108.800 -0.067 0.000 2.324 129 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.292 129 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.292 129 G C 0.580 175.440 174.900 -0.067 0.000 1.079 129 G CA 0.536 45.591 45.100 -0.074 0.000 1.026 129 G HN 0.616 nan 8.290 nan 0.000 0.506 130 T N -3.499 111.012 114.554 -0.072 0.000 3.058 130 T HA 0.215 4.565 4.350 -0.000 0.000 0.247 130 T C 2.617 177.263 174.700 -0.089 0.000 0.987 130 T CA 1.356 63.419 62.100 -0.061 0.000 1.062 130 T CB -0.310 68.540 68.868 -0.031 0.000 1.048 130 T HN 1.325 nan 8.240 nan 0.000 0.468 131 S N 1.783 117.426 115.700 -0.095 0.000 2.440 131 S HA 0.068 4.538 4.470 -0.000 0.000 0.238 131 S C 2.156 176.692 174.600 -0.106 0.000 1.010 131 S CA 1.194 59.342 58.200 -0.086 0.000 0.972 131 S CB -1.296 61.825 63.200 -0.131 0.000 0.774 131 S HN 0.680 nan 8.310 nan 0.000 0.501 132 G N 2.024 110.747 108.800 -0.128 0.000 2.556 132 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.215 132 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.215 132 G C 1.404 176.263 174.900 -0.069 0.000 1.258 132 G CA 0.662 45.703 45.100 -0.099 0.000 0.811 132 G HN 0.560 nan 8.290 nan 0.000 0.557 133 K N -0.030 120.324 120.400 -0.078 0.000 2.127 133 K HA -0.161 4.159 4.320 -0.000 0.000 0.212 133 K C 2.516 179.050 176.600 -0.110 0.000 1.050 133 K CA 1.551 57.793 56.287 -0.075 0.000 0.929 133 K CB -0.496 31.968 32.500 -0.060 0.000 0.715 133 K HN 0.230 nan 8.250 nan 0.000 0.457 134 V N 0.465 120.270 119.914 -0.182 0.000 2.244 134 V HA -0.250 3.870 4.120 -0.000 0.000 0.244 134 V C 2.148 178.115 176.094 -0.211 0.000 1.042 134 V CA 1.839 63.913 62.300 -0.377 0.000 1.006 134 V CB -0.621 30.786 31.823 -0.693 0.000 0.641 134 V HN 0.424 nan 8.190 nan 0.000 0.446 135 H N -0.444 118.517 119.070 -0.182 0.000 2.539 135 H HA -0.147 4.409 4.556 -0.000 0.000 0.292 135 H C 2.073 177.356 175.328 -0.076 0.000 1.069 135 H CA 0.771 56.773 56.048 -0.077 0.000 1.244 135 H CB 0.238 30.031 29.762 0.051 0.000 1.365 135 H HN 0.472 nan 8.280 nan 0.000 0.575 136 A N 0.871 123.690 122.820 -0.002 0.000 1.850 136 A HA 0.037 4.357 4.320 -0.000 0.000 0.212 136 A C 1.286 178.853 177.584 -0.028 0.000 1.208 136 A CA 0.057 52.065 52.037 -0.049 0.000 0.609 136 A CB -0.258 18.709 19.000 -0.056 0.000 0.860 136 A HN 0.287 nan 8.150 nan 0.000 0.448 137 M N 0.606 120.184 119.600 -0.037 0.000 2.216 137 M HA -0.044 4.435 4.480 -0.000 0.000 0.317 137 M C 1.022 177.342 176.300 0.033 0.000 1.015 137 M CA 0.230 55.529 55.300 -0.002 0.000 1.045 137 M CB 0.472 33.071 32.600 -0.002 0.000 1.538 137 M HN 0.382 nan 8.290 nan 0.000 0.440 138 S N 0.596 116.328 115.700 0.054 0.000 2.502 138 S HA 0.116 4.586 4.470 -0.000 0.000 0.228 138 S C 0.397 175.054 174.600 0.094 0.000 1.061 138 S CA 0.248 58.486 58.200 0.064 0.000 0.935 138 S CB 0.319 63.546 63.200 0.045 0.000 0.809 138 S HN 0.638 nan 8.310 nan 0.000 0.510 139 N N 1.023 119.786 118.700 0.105 0.000 2.800 139 N HA 0.231 4.971 4.740 -0.000 0.000 0.240 139 N C -1.633 173.980 175.510 0.172 0.000 1.096 139 N CA -0.185 52.934 53.050 0.115 0.000 0.877 139 N CB 0.827 39.360 38.487 0.077 0.000 1.138 139 N HN 0.317 nan 8.380 nan 0.000 0.509 140 W N 3.034 124.313 121.300 -0.034 0.000 2.449 140 W HA 0.501 5.161 4.660 -0.000 0.000 0.331 140 W C -0.368 176.096 176.519 -0.092 0.000 1.119 140 W CA -0.859 56.441 57.345 -0.075 0.000 1.240 140 W CB 0.948 30.352 29.460 -0.094 0.000 1.251 140 W HN 0.071 nan 8.180 nan 0.000 0.576 141 V N 5.281 124.724 119.914 -0.784 0.000 2.409 141 V HA 0.369 4.488 4.120 -0.000 0.000 0.290 141 V C 0.708 175.949 176.094 -1.422 0.000 1.017 141 V CA -1.529 60.278 62.300 -0.822 0.000 0.841 141 V CB -0.806 30.785 31.823 -0.387 0.000 1.003 141 V HN 0.910 nan 8.190 nan 0.000 0.426 142 C N 3.488 121.868 119.300 -1.533 0.000 2.941 142 C HA 0.055 4.515 4.460 -0.000 0.000 0.282 142 C C 1.496 175.821 174.990 -1.109 0.000 1.326 142 C CA 0.632 58.676 59.018 -1.623 0.000 1.661 142 C CB -0.972 26.314 27.740 -0.755 0.000 2.060 142 C HN 0.848 nan 8.230 nan 0.000 0.640 143 Y N -0.496 119.610 120.300 -0.323 0.000 2.448 143 Y HA 0.280 4.830 4.550 -0.000 0.000 0.289 143 Y C 2.000 177.935 175.900 0.058 0.000 1.114 143 Y CA 0.440 58.553 58.100 0.022 0.000 1.235 143 Y CB -0.285 38.347 38.460 0.288 0.000 1.045 143 Y HN 0.386 nan 8.280 nan 0.000 0.554 144 L N -1.042 120.259 121.223 0.130 0.000 2.862 144 L HA 0.084 4.424 4.340 -0.000 0.000 0.240 144 L C 0.226 177.104 176.870 0.014 0.000 1.283 144 L CA 0.030 54.837 54.840 -0.056 0.000 1.117 144 L CB -0.360 41.539 42.059 -0.266 0.000 1.444 144 L HN 0.387 nan 8.230 nan 0.000 0.456 145 C N -1.217 118.059 119.300 -0.041 0.000 4.491 145 C HA 0.185 4.645 4.460 -0.000 0.000 0.458 145 C C 0.680 175.647 174.990 -0.038 0.000 1.644 145 C CA -0.564 58.419 59.018 -0.058 0.000 2.151 145 C CB 0.036 27.673 27.740 -0.172 0.000 3.250 145 C HN 0.471 nan 8.230 nan 0.000 0.648 146 L N 0.042 121.236 121.223 -0.047 0.000 2.358 146 L HA 0.639 4.979 4.340 -0.000 0.000 0.268 146 L C -1.729 175.180 176.870 0.065 0.000 1.032 146 L CA -1.345 53.489 54.840 -0.010 0.000 0.805 146 L CB -0.149 41.876 42.059 -0.055 0.000 1.253 146 L HN -0.210 nan 8.230 nan 0.000 0.452 147 P HA -0.126 nan 4.420 nan 0.000 0.210 147 P C 0.559 177.912 177.300 0.089 0.000 1.189 147 P CA 0.939 64.091 63.100 0.086 0.000 0.920 147 P CB 0.025 31.764 31.700 0.065 0.000 0.782 148 S N -0.733 115.014 115.700 0.079 0.000 2.544 148 S HA 0.005 4.475 4.470 -0.000 0.000 0.290 148 S C 1.419 176.084 174.600 0.109 0.000 1.276 148 S CA 0.018 58.269 58.200 0.086 0.000 1.075 148 S CB -0.185 63.064 63.200 0.082 0.000 0.849 148 S HN 0.030 nan 8.310 nan 0.000 0.494 149 S N 4.200 119.965 115.700 0.107 0.000 2.387 149 S HA -0.016 4.454 4.470 -0.000 0.000 0.226 149 S C 0.931 175.615 174.600 0.139 0.000 1.026 149 S CA 0.759 59.032 58.200 0.122 0.000 0.972 149 S CB -0.103 63.160 63.200 0.106 0.000 0.814 149 S HN 0.829 nan 8.310 nan 0.000 0.477 150 R N 0.818 121.389 120.500 0.118 0.000 2.589 150 R HA 0.545 4.885 4.340 -0.000 0.000 0.293 150 R C -1.597 174.771 176.300 0.112 0.000 0.963 150 R CA -0.215 55.952 56.100 0.112 0.000 0.905 150 R CB 1.266 31.613 30.300 0.078 0.000 1.144 150 R HN -0.045 nan 8.270 nan 0.000 0.459 151 S N 2.246 118.009 115.700 0.105 0.000 2.776 151 S HA 0.531 5.001 4.470 -0.000 0.000 0.284 151 S C -0.071 174.538 174.600 0.016 0.000 1.160 151 S CA 0.032 58.291 58.200 0.099 0.000 1.051 151 S CB 1.514 64.843 63.200 0.216 0.000 1.037 151 S HN 1.125 nan 8.310 nan 0.000 0.485 152 G N 2.865 111.671 108.800 0.010 0.000 2.565 152 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.295 152 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.295 152 G C 0.380 175.261 174.900 -0.032 0.000 1.165 152 G CA 0.538 45.624 45.100 -0.024 0.000 0.977 152 G HN 0.644 nan 8.290 nan 0.000 0.546 153 L N -0.102 121.081 121.223 -0.066 0.000 2.664 153 L HA 0.391 4.730 4.340 -0.000 0.000 0.233 153 L C 0.870 177.698 176.870 -0.070 0.000 1.113 153 L CA -0.304 54.502 54.840 -0.056 0.000 0.896 153 L CB 0.259 42.280 42.059 -0.064 0.000 1.163 153 L HN 0.347 nan 8.230 nan 0.000 0.497 154 L N 1.666 122.813 121.223 -0.127 0.000 2.433 154 L HA 0.120 4.460 4.340 -0.000 0.000 0.275 154 L C 0.068 176.972 176.870 0.057 0.000 1.128 154 L CA 0.620 55.361 54.840 -0.165 0.000 0.875 154 L CB 0.448 42.234 42.059 -0.454 0.000 1.171 154 L HN 0.055 nan 8.230 nan 0.000 0.463 155 Q N 4.464 124.375 119.800 0.185 0.000 2.347 155 Q HA 0.305 4.645 4.340 -0.000 0.000 0.265 155 Q C -0.681 175.468 176.000 0.247 0.000 1.024 155 Q CA -0.444 55.478 55.803 0.199 0.000 0.731 155 Q CB 0.806 29.613 28.738 0.115 0.000 1.245 155 Q HN 0.532 nan 8.270 nan 0.000 0.472 156 R N 4.035 124.642 120.500 0.180 0.000 2.399 156 R HA 0.188 4.528 4.340 -0.000 0.000 0.324 156 R C -0.298 175.982 176.300 -0.034 0.000 1.030 156 R CA -0.337 55.674 56.100 -0.148 0.000 0.984 156 R CB 0.451 30.656 30.300 -0.158 0.000 0.961 156 R HN 0.544 nan 8.270 nan 0.000 0.433 157 R N 3.580 124.053 120.500 -0.045 0.000 2.767 157 R HA -0.094 4.245 4.340 -0.000 0.000 0.264 157 R C -0.067 176.330 176.300 0.162 0.000 0.987 157 R CA 0.575 56.728 56.100 0.089 0.000 1.114 157 R CB 0.131 30.508 30.300 0.128 0.000 0.976 157 R HN 0.643 nan 8.270 nan 0.000 0.437 158 R N 2.785 123.373 120.500 0.147 0.000 2.296 158 R HA 0.036 4.376 4.340 -0.000 0.000 0.323 158 R C 0.015 176.414 176.300 0.164 0.000 1.067 158 R CA -0.386 55.804 56.100 0.150 0.000 0.946 158 R CB 0.432 30.798 30.300 0.110 0.000 0.991 158 R HN 0.346 nan 8.270 nan 0.000 0.448 159 K N 3.514 124.025 120.400 0.184 0.000 4.868 159 K HA -0.171 4.149 4.320 -0.000 0.000 0.314 159 K C 0.803 177.454 176.600 0.086 0.000 0.932 159 K CA 0.603 56.942 56.287 0.086 0.000 0.998 159 K CB -0.674 31.860 32.500 0.057 0.000 1.704 159 K HN 0.825 nan 8.250 nan 0.000 0.426 160 W N 1.715 123.018 121.300 0.006 0.000 2.501 160 W HA -0.010 4.650 4.660 -0.000 0.000 0.309 160 W C 1.588 178.115 176.519 0.014 0.000 1.165 160 W CA 0.425 57.763 57.345 -0.012 0.000 1.381 160 W CB -1.054 28.357 29.460 -0.083 0.000 1.142 160 W HN 0.307 nan 8.180 nan 0.000 0.509 161 R N 1.446 121.418 120.500 -0.880 0.000 2.270 161 R HA -0.319 4.020 4.340 -0.000 0.000 0.260 161 R C 2.553 178.757 176.300 -0.159 0.000 1.127 161 R CA 3.813 59.485 56.100 -0.712 0.000 0.969 161 R CB -1.184 28.585 30.300 -0.884 0.000 0.918 161 R HN 0.443 nan 8.270 nan 0.000 0.455 162 S N -0.230 115.413 115.700 -0.094 0.000 2.345 162 S HA -0.214 4.256 4.470 -0.000 0.000 0.219 162 S C 1.999 176.661 174.600 0.103 0.000 1.031 162 S CA 1.093 59.312 58.200 0.031 0.000 0.984 162 S CB -0.321 62.897 63.200 0.030 0.000 0.874 162 S HN 0.346 nan 8.310 nan 0.000 0.451 163 Q N 0.724 120.593 119.800 0.116 0.000 2.248 163 Q HA -0.037 4.303 4.340 -0.000 0.000 0.208 163 Q C 2.014 178.144 176.000 0.216 0.000 0.984 163 Q CA 1.329 57.231 55.803 0.167 0.000 0.875 163 Q CB -0.358 28.481 28.738 0.168 0.000 0.910 163 Q HN 0.697 nan 8.270 nan 0.000 0.433 164 L N 0.503 121.848 121.223 0.204 0.000 1.937 164 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 164 L C 2.492 179.537 176.870 0.291 0.000 1.077 164 L CA 1.968 56.934 54.840 0.210 0.000 0.758 164 L CB -0.535 41.655 42.059 0.218 0.000 0.888 164 L HN 0.199 nan 8.230 nan 0.000 0.433 165 K N 0.130 120.697 120.400 0.278 0.000 2.052 165 K HA -0.317 4.003 4.320 -0.000 0.000 0.215 165 K C 1.865 178.659 176.600 0.324 0.000 1.053 165 K CA 2.135 58.617 56.287 0.325 0.000 0.934 165 K CB -0.509 32.141 32.500 0.251 0.000 0.717 165 K HN 0.517 nan 8.250 nan 0.000 0.450 166 A N 0.849 123.820 122.820 0.253 0.000 1.971 166 A HA -0.228 4.092 4.320 -0.000 0.000 0.222 166 A C 2.041 179.789 177.584 0.274 0.000 1.182 166 A CA 1.912 54.078 52.037 0.216 0.000 0.649 166 A CB -0.919 18.188 19.000 0.179 0.000 0.818 166 A HN 0.644 nan 8.150 nan 0.000 0.458 167 F N -1.424 118.621 119.950 0.158 0.000 2.053 167 F HA -0.112 4.415 4.527 -0.000 0.000 0.292 167 F C 2.128 178.051 175.800 0.204 0.000 1.125 167 F CA 1.961 60.050 58.000 0.149 0.000 1.193 167 F CB -0.559 38.536 39.000 0.158 0.000 0.996 167 F HN 0.314 nan 8.300 nan 0.000 0.470 168 Y N 2.387 123.021 120.300 0.557 0.000 1.967 168 Y HA -0.427 4.123 4.550 -0.000 0.000 0.255 168 Y C 2.342 178.323 175.900 0.135 0.000 1.197 168 Y CA 2.068 60.369 58.100 0.334 0.000 1.088 168 Y CB -1.362 37.243 38.460 0.241 0.000 0.917 168 Y HN 0.267 nan 8.280 nan 0.000 0.497 169 D N -0.246 120.390 120.400 0.393 0.000 2.212 169 D HA -0.296 4.344 4.640 -0.000 0.000 0.197 169 D C 2.386 178.761 176.300 0.125 0.000 1.004 169 D CA 2.081 56.178 54.000 0.161 0.000 0.864 169 D CB -0.791 40.048 40.800 0.065 0.000 1.027 169 D HN 0.408 nan 8.370 nan 0.000 0.455 170 R N 0.799 121.338 120.500 0.065 0.000 2.159 170 R HA -0.215 4.125 4.340 -0.000 0.000 0.252 170 R C 1.712 177.962 176.300 -0.083 0.000 1.144 170 R CA 1.719 57.812 56.100 -0.013 0.000 0.961 170 R CB 0.025 30.303 30.300 -0.038 0.000 0.877 170 R HN 0.142 nan 8.270 nan 0.000 0.444 171 E N 0.194 120.286 120.200 -0.180 0.000 2.318 171 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 171 E C 0.670 177.196 176.600 -0.124 0.000 0.998 171 E CA 0.164 56.387 56.400 -0.294 0.000 0.859 171 E CB 0.199 29.435 29.700 -0.773 0.000 0.812 171 E HN 0.171 nan 8.360 nan 0.000 0.492 172 S N 0.595 116.311 115.700 0.026 0.000 2.655 172 S HA 0.074 4.544 4.470 -0.000 0.000 0.265 172 S C 0.993 175.631 174.600 0.064 0.000 1.240 172 S CA -0.266 57.971 58.200 0.060 0.000 0.986 172 S CB 0.818 64.132 63.200 0.189 0.000 0.985 172 S HN 0.223 nan 8.310 nan 0.000 0.562 173 E N 0.304 120.540 120.200 0.060 0.000 2.498 173 E HA 0.157 4.507 4.350 -0.000 0.000 0.203 173 E C -0.040 176.595 176.600 0.058 0.000 1.013 173 E CA -0.181 56.248 56.400 0.049 0.000 0.927 173 E CB -0.111 29.610 29.700 0.034 0.000 1.012 173 E HN 0.570 nan 8.360 nan 0.000 0.482 174 N N 0.342 119.092 118.700 0.084 0.000 2.605 174 N HA 0.163 4.903 4.740 -0.000 0.000 0.265 174 N C -2.915 172.655 175.510 0.100 0.000 1.625 174 N CA -1.074 52.020 53.050 0.073 0.000 0.862 174 N CB -0.116 38.407 38.487 0.060 0.000 1.415 174 N HN -0.137 nan 8.380 nan 0.000 0.513 175 P HA -0.017 nan 4.420 nan 0.000 0.267 175 P C 0.110 177.395 177.300 -0.026 0.000 1.175 175 P CA 0.340 63.488 63.100 0.081 0.000 0.763 175 P CB 0.818 32.523 31.700 0.009 0.000 0.795 176 L N 0.620 121.753 121.223 -0.151 0.000 2.216 176 L HA 0.371 4.711 4.340 -0.000 0.000 0.260 176 L C 0.651 177.373 176.870 -0.247 0.000 1.036 176 L CA -1.114 53.653 54.840 -0.121 0.000 0.914 176 L CB 0.538 42.583 42.059 -0.025 0.000 1.501 176 L HN 0.252 nan 8.230 nan 0.000 0.485 177 E N 2.049 122.129 120.200 -0.201 0.000 2.463 177 E HA 0.018 4.368 4.350 -0.000 0.000 0.248 177 E C -0.818 175.519 176.600 -0.438 0.000 1.106 177 E CA 0.189 56.386 56.400 -0.338 0.000 0.946 177 E CB 0.459 29.978 29.700 -0.302 0.000 0.971 177 E HN 0.163 nan 8.360 nan 0.000 0.478 178 M N 5.749 125.073 119.600 -0.461 0.000 2.043 178 M HA 0.293 4.773 4.480 -0.000 0.000 0.322 178 M C -1.717 174.499 176.300 -0.140 0.000 0.962 178 M CA -0.622 54.492 55.300 -0.310 0.000 0.927 178 M CB 0.246 32.591 32.600 -0.425 0.000 1.466 178 M HN 0.207 nan 8.290 nan 0.000 0.412 179 F N 2.638 122.651 119.950 0.105 0.000 2.404 179 F HA 0.302 4.829 4.527 -0.000 0.000 0.345 179 F C 0.998 176.956 175.800 0.264 0.000 1.110 179 F CA -0.807 57.254 58.000 0.102 0.000 1.130 179 F CB 0.848 39.816 39.000 -0.053 0.000 1.129 179 F HN 0.543 nan 8.300 nan 0.000 0.500 180 E N 2.270 122.727 120.200 0.428 0.000 2.467 180 E HA -0.021 4.329 4.350 -0.000 0.000 0.264 180 E C 0.112 177.011 176.600 0.498 0.000 1.020 180 E CA -0.282 56.321 56.400 0.339 0.000 0.945 180 E CB 0.819 30.634 29.700 0.192 0.000 0.942 180 E HN 0.683 nan 8.360 nan 0.000 0.449 181 T N -0.150 114.621 114.554 0.361 0.000 2.771 181 T HA 0.436 4.786 4.350 -0.000 0.000 0.290 181 T C -0.081 174.717 174.700 0.164 0.000 1.005 181 T CA -0.734 61.542 62.100 0.293 0.000 0.944 181 T CB 1.026 69.887 68.868 -0.011 0.000 1.147 181 T HN 0.230 nan 8.240 nan 0.000 0.534 182 V N 0.405 120.372 119.914 0.089 0.000 2.577 182 V HA 0.476 4.596 4.120 -0.000 0.000 0.303 182 V C -2.772 173.235 176.094 -0.144 0.000 1.042 182 V CA -2.452 59.859 62.300 0.018 0.000 0.872 182 V CB 1.137 33.044 31.823 0.139 0.000 0.998 182 V HN 0.770 nan 8.190 nan 0.000 0.423 183 P HA 0.012 nan 4.420 nan 0.000 0.266 183 P C 1.114 178.066 177.300 -0.579 0.000 1.195 183 P CA 0.261 63.004 63.100 -0.594 0.000 0.768 183 P CB 0.987 32.196 31.700 -0.819 0.000 0.838 184 V N 4.040 123.608 119.914 -0.576 0.000 2.527 184 V HA -0.217 3.903 4.120 -0.000 0.000 0.255 184 V C 1.040 177.050 176.094 -0.140 0.000 1.081 184 V CA 2.128 64.254 62.300 -0.289 0.000 1.092 184 V CB -1.053 30.651 31.823 -0.197 0.000 0.673 184 V HN 0.727 nan 8.190 nan 0.000 0.470 185 W N 0.722 122.042 121.300 0.034 0.000 2.658 185 W HA 0.229 4.889 4.660 -0.000 0.000 0.263 185 W C 1.804 178.334 176.519 0.019 0.000 1.274 185 W CA 0.175 57.535 57.345 0.025 0.000 1.343 185 W CB -0.709 28.764 29.460 0.022 0.000 1.106 185 W HN 0.056 nan 8.180 nan 0.000 0.615 186 R N 1.831 122.475 120.500 0.240 0.000 2.721 186 R HA 0.257 4.597 4.340 -0.000 0.000 0.296 186 R C -0.185 176.162 176.300 0.078 0.000 1.174 186 R CA -0.106 56.108 56.100 0.190 0.000 1.129 186 R CB -0.395 30.023 30.300 0.197 0.000 1.316 186 R HN 0.234 nan 8.270 nan 0.000 0.571 187 R N 1.852 122.391 120.500 0.065 0.000 2.937 187 R HA 0.152 4.492 4.340 -0.000 0.000 0.264 187 R C -0.123 176.197 176.300 0.034 0.000 1.334 187 R CA -0.242 55.889 56.100 0.052 0.000 1.516 187 R CB 0.627 30.974 30.300 0.079 0.000 1.187 187 R HN 0.232 nan 8.270 nan 0.000 0.609 188 Q N 1.684 121.481 119.800 -0.005 0.000 2.624 188 Q HA 0.035 4.375 4.340 -0.000 0.000 0.256 188 Q C -2.083 173.928 176.000 0.018 0.000 1.119 188 Q CA -1.214 54.588 55.803 -0.002 0.000 0.995 188 Q CB -0.152 28.559 28.738 -0.045 0.000 1.318 188 Q HN 0.189 nan 8.270 nan 0.000 0.534 189 P HA -0.005 nan 4.420 nan 0.000 0.272 189 P C -0.987 176.403 177.300 0.150 0.000 1.240 189 P CA -0.312 62.927 63.100 0.231 0.000 0.791 189 P CB 0.486 32.373 31.700 0.312 0.000 0.978 190 V N 2.336 122.431 119.914 0.302 0.000 2.546 190 V HA 0.265 4.385 4.120 -0.000 0.000 0.284 190 V C -0.084 176.110 176.094 0.168 0.000 1.050 190 V CA -0.309 62.191 62.300 0.333 0.000 0.981 190 V CB 0.062 32.139 31.823 0.424 0.000 0.990 190 V HN 0.373 nan 8.190 nan 0.000 0.474 191 R N 5.209 125.792 120.500 0.138 0.000 2.288 191 R HA 0.663 5.003 4.340 -0.000 0.000 0.326 191 R C -1.322 175.003 176.300 0.042 0.000 0.959 191 R CA -0.526 55.651 56.100 0.128 0.000 0.834 191 R CB 1.794 32.217 30.300 0.205 0.000 1.157 191 R HN 0.577 nan 8.270 nan 0.000 0.470 192 V N 4.010 123.853 119.914 -0.118 0.000 2.715 192 V HA 0.503 4.623 4.120 -0.000 0.000 0.310 192 V C -0.788 174.929 176.094 -0.629 0.000 1.054 192 V CA -1.052 61.055 62.300 -0.321 0.000 0.928 192 V CB 2.085 33.764 31.823 -0.240 0.000 1.007 192 V HN 0.514 nan 8.190 nan 0.000 0.437 193 L N 3.734 124.500 121.223 -0.762 0.000 2.381 193 L HA 0.833 5.173 4.340 -0.000 0.000 0.274 193 L C -0.190 176.511 176.870 -0.282 0.000 0.988 193 L CA 0.134 54.529 54.840 -0.743 0.000 0.824 193 L CB 2.113 43.512 42.059 -1.101 0.000 1.263 193 L HN 0.801 nan 8.230 nan 0.000 0.410 194 S N 5.401 121.010 115.700 -0.152 0.000 2.561 194 S HA 0.762 5.232 4.470 -0.000 0.000 0.303 194 S C -0.820 173.787 174.600 0.012 0.000 1.110 194 S CA -0.830 57.368 58.200 -0.003 0.000 1.034 194 S CB 1.118 64.313 63.200 -0.008 0.000 1.010 194 S HN 0.617 nan 8.310 nan 0.000 0.482 195 L N 3.876 125.030 121.223 -0.115 0.000 2.309 195 L HA 0.562 4.901 4.340 -0.000 0.000 0.282 195 L C 0.530 177.144 176.870 -0.426 0.000 1.036 195 L CA -0.952 53.620 54.840 -0.446 0.000 0.806 195 L CB -0.039 41.365 42.059 -1.092 0.000 1.220 195 L HN 1.031 nan 8.230 nan 0.000 0.429 196 F N -1.019 119.119 119.950 0.314 0.000 2.586 196 F HA -0.290 4.237 4.527 -0.000 0.000 0.638 196 F C 0.736 176.630 175.800 0.156 0.000 0.493 196 F CA 0.835 58.990 58.000 0.258 0.000 0.761 196 F CB -0.761 38.347 39.000 0.179 0.000 1.635 196 F HN 0.526 nan 8.300 nan 0.000 0.259 197 E N 1.718 121.975 120.200 0.095 0.000 2.199 197 E HA 0.223 4.573 4.350 -0.000 0.000 0.265 197 E C -1.114 175.234 176.600 -0.419 0.000 0.882 197 E CA -0.544 55.724 56.400 -0.220 0.000 0.759 197 E CB 1.652 31.066 29.700 -0.476 0.000 1.148 197 E HN 0.013 nan 8.360 nan 0.000 0.412 198 D N 3.635 123.679 120.400 -0.594 0.000 2.344 198 D HA 0.065 4.705 4.640 -0.000 0.000 0.253 198 D C 0.965 177.057 176.300 -0.346 0.000 1.255 198 D CA -0.176 53.462 54.000 -0.602 0.000 0.894 198 D CB 0.458 40.990 40.800 -0.447 0.000 1.067 198 D HN 0.288 nan 8.370 nan 0.000 0.492 199 I N 3.640 124.005 120.570 -0.341 0.000 2.339 199 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 199 I C 2.274 178.280 176.117 -0.185 0.000 1.096 199 I CA 0.528 61.641 61.300 -0.312 0.000 1.408 199 I CB -0.789 36.943 38.000 -0.447 0.000 1.092 199 I HN 0.588 nan 8.210 nan 0.000 0.423 200 K N 1.497 121.795 120.400 -0.169 0.000 2.200 200 K HA -0.432 3.888 4.320 -0.000 0.000 0.206 200 K C 2.102 178.663 176.600 -0.066 0.000 0.782 200 K CA 3.288 59.512 56.287 -0.105 0.000 1.047 200 K CB -0.552 31.892 32.500 -0.093 0.000 0.989 200 K HN 0.116 nan 8.250 nan 0.000 0.595 201 K N -0.003 120.363 120.400 -0.057 0.000 2.097 201 K HA -0.272 4.048 4.320 -0.000 0.000 0.214 201 K C 1.889 178.483 176.600 -0.009 0.000 1.052 201 K CA 2.392 58.663 56.287 -0.027 0.000 0.932 201 K CB -0.085 32.405 32.500 -0.018 0.000 0.716 201 K HN 0.327 nan 8.250 nan 0.000 0.455 202 E N 0.699 120.896 120.200 -0.006 0.000 2.008 202 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 202 E C 2.208 178.846 176.600 0.063 0.000 0.986 202 E CA 1.073 57.494 56.400 0.036 0.000 0.807 202 E CB -0.584 29.155 29.700 0.065 0.000 0.766 202 E HN 0.364 nan 8.360 nan 0.000 0.450 203 L N 1.288 122.549 121.223 0.064 0.000 2.261 203 L HA -0.169 4.171 4.340 -0.000 0.000 0.216 203 L C 2.406 179.346 176.870 0.116 0.000 1.114 203 L CA 1.210 56.147 54.840 0.163 0.000 0.777 203 L CB -0.739 41.371 42.059 0.085 0.000 0.910 203 L HN 0.144 nan 8.230 nan 0.000 0.440 204 T N -0.723 113.855 114.554 0.040 0.000 2.668 204 T HA -0.180 4.170 4.350 -0.000 0.000 0.262 204 T C 2.091 176.794 174.700 0.005 0.000 1.045 204 T CA 1.815 63.921 62.100 0.010 0.000 1.152 204 T CB -0.219 68.638 68.868 -0.018 0.000 0.864 204 T HN 0.561 nan 8.240 nan 0.000 0.419 205 S N 1.214 116.917 115.700 0.005 0.000 2.469 205 S HA 0.012 4.482 4.470 -0.000 0.000 0.238 205 S C 1.880 176.473 174.600 -0.012 0.000 0.998 205 S CA 0.466 58.667 58.200 0.002 0.000 0.957 205 S CB -0.412 62.794 63.200 0.009 0.000 0.764 205 S HN 0.210 nan 8.310 nan 0.000 0.514 206 L N 1.128 122.323 121.223 -0.047 0.000 2.509 206 L HA 0.288 4.628 4.340 -0.000 0.000 0.222 206 L C 1.794 178.518 176.870 -0.243 0.000 1.123 206 L CA 1.523 56.252 54.840 -0.184 0.000 0.856 206 L CB -1.184 40.717 42.059 -0.264 0.000 0.985 206 L HN 0.687 nan 8.230 nan 0.000 0.456 207 G N -1.184 107.572 108.800 -0.073 0.000 2.130 207 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.216 207 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.216 207 G C 0.723 175.733 174.900 0.184 0.000 0.999 207 G CA 0.248 45.378 45.100 0.050 0.000 0.686 207 G HN 0.387 nan 8.290 nan 0.000 0.515 208 F N -0.988 119.136 119.950 0.290 0.000 2.582 208 F HA 0.421 4.948 4.527 -0.000 0.000 0.290 208 F C 1.014 177.035 175.800 0.370 0.000 1.115 208 F CA -0.278 57.914 58.000 0.320 0.000 1.445 208 F CB 0.326 39.394 39.000 0.113 0.000 1.126 208 F HN 0.068 nan 8.300 nan 0.000 0.574 209 L N 0.509 121.883 121.223 0.252 0.000 2.334 209 L HA 0.292 4.632 4.340 -0.000 0.000 0.276 209 L C 0.351 176.838 176.870 -0.638 0.000 1.014 209 L CA -1.252 53.502 54.840 -0.143 0.000 0.815 209 L CB 1.264 43.279 42.059 -0.073 0.000 1.268 209 L HN -0.024 nan 8.230 nan 0.000 0.428 210 E N 0.560 120.162 120.200 -0.995 0.000 2.718 210 E HA 0.095 4.445 4.350 -0.000 0.000 0.263 210 E C 0.253 176.610 176.600 -0.405 0.000 1.434 210 E CA 0.041 55.879 56.400 -0.936 0.000 1.106 210 E CB 0.349 29.669 29.700 -0.632 0.000 1.029 210 E HN 0.552 nan 8.360 nan 0.000 0.631 211 S N -0.686 114.858 115.700 -0.260 0.000 2.503 211 S HA 0.099 4.569 4.470 -0.000 0.000 0.215 211 S C 0.676 175.209 174.600 -0.112 0.000 1.003 211 S CA 0.149 58.263 58.200 -0.145 0.000 0.910 211 S CB 0.656 63.799 63.200 -0.095 0.000 0.790 211 S HN 0.565 nan 8.310 nan 0.000 0.514 212 G N 1.424 110.151 108.800 -0.121 0.000 2.389 212 G HA2 0.222 4.182 3.960 -0.000 0.000 0.287 212 G HA3 0.222 4.182 3.960 -0.000 0.000 0.287 212 G C 0.260 175.113 174.900 -0.078 0.000 1.126 212 G CA -0.210 44.842 45.100 -0.081 0.000 1.073 212 G HN 0.259 nan 8.290 nan 0.000 0.429 213 S N 1.900 117.566 115.700 -0.058 0.000 2.840 213 S HA 0.079 4.549 4.470 -0.000 0.000 0.235 213 S C 0.894 175.474 174.600 -0.034 0.000 0.968 213 S CA 0.090 58.261 58.200 -0.048 0.000 1.026 213 S CB -0.098 63.079 63.200 -0.038 0.000 0.788 213 S HN 0.654 nan 8.310 nan 0.000 0.487 214 D N 1.375 121.757 120.400 -0.031 0.000 3.154 214 D HA 0.176 4.816 4.640 -0.000 0.000 0.278 214 D C -1.043 175.248 176.300 -0.015 0.000 1.460 214 D CA 0.132 54.121 54.000 -0.019 0.000 1.114 214 D CB -0.800 39.992 40.800 -0.013 0.000 1.151 214 D HN 0.176 nan 8.370 nan 0.000 0.376 215 P HA 0.149 nan 4.420 nan 0.000 0.239 215 P C 0.138 177.434 177.300 -0.007 0.000 1.184 215 P CA 0.424 63.522 63.100 -0.003 0.000 0.760 215 P CB -0.085 31.616 31.700 0.001 0.000 0.884 216 G N 1.863 110.646 108.800 -0.027 0.000 2.578 216 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.287 216 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.287 216 G C 0.660 175.550 174.900 -0.017 0.000 0.568 216 G CA -0.093 44.984 45.100 -0.039 0.000 1.150 216 G HN 0.186 nan 8.290 nan 0.000 0.251 217 Q N 0.125 119.923 119.800 -0.002 0.000 2.430 217 Q HA -0.012 4.327 4.340 -0.000 0.000 0.194 217 Q C 0.437 176.435 176.000 -0.004 0.000 0.895 217 Q CA 0.426 56.247 55.803 0.030 0.000 1.034 217 Q CB -0.210 28.564 28.738 0.060 0.000 1.061 217 Q HN 0.556 nan 8.270 nan 0.000 0.518 218 L N 0.395 121.594 121.223 -0.039 0.000 2.349 218 L HA 0.450 4.790 4.340 -0.000 0.000 0.278 218 L C -0.977 175.839 176.870 -0.089 0.000 0.996 218 L CA -0.675 54.109 54.840 -0.094 0.000 0.825 218 L CB 1.521 43.519 42.059 -0.102 0.000 1.243 218 L HN -0.282 nan 8.230 nan 0.000 0.412 219 K N 3.855 124.168 120.400 -0.144 0.000 2.274 219 K HA 0.420 4.740 4.320 -0.000 0.000 0.262 219 K C -1.444 175.083 176.600 -0.123 0.000 0.961 219 K CA -0.300 55.897 56.287 -0.151 0.000 0.833 219 K CB 0.605 32.992 32.500 -0.188 0.000 1.102 219 K HN 0.777 nan 8.250 nan 0.000 0.436 220 H N 2.947 121.900 119.070 -0.194 0.000 2.469 220 H HA 0.687 5.243 4.556 -0.000 0.000 0.342 220 H C -1.299 173.945 175.328 -0.140 0.000 1.115 220 H CA -1.091 54.870 56.048 -0.145 0.000 1.204 220 H CB 1.245 30.955 29.762 -0.087 0.000 1.492 220 H HN 0.313 nan 8.280 nan 0.000 0.499 221 V N 6.089 125.914 119.914 -0.149 0.000 2.655 221 V HA 0.060 4.180 4.120 -0.000 0.000 0.301 221 V C 0.619 176.688 176.094 -0.042 0.000 1.082 221 V CA -0.678 61.505 62.300 -0.195 0.000 0.899 221 V CB 1.153 32.918 31.823 -0.096 0.000 1.014 221 V HN 0.702 nan 8.190 nan 0.000 0.429 222 V N 0.922 120.796 119.914 -0.067 0.000 2.374 222 V HA 0.083 4.203 4.120 -0.000 0.000 0.241 222 V C 0.737 177.052 176.094 0.367 0.000 1.034 222 V CA 1.142 63.563 62.300 0.202 0.000 1.037 222 V CB -0.112 31.764 31.823 0.089 0.000 0.682 222 V HN 0.913 nan 8.190 nan 0.000 0.463 223 D N 0.512 121.061 120.400 0.249 0.000 2.233 223 D HA 0.408 5.048 4.640 -0.000 0.000 0.240 223 D C 0.233 176.728 176.300 0.326 0.000 1.074 223 D CA 0.042 54.218 54.000 0.293 0.000 0.838 223 D CB 1.861 42.771 40.800 0.183 0.000 1.124 223 D HN 0.122 nan 8.370 nan 0.000 0.475 224 V N 0.984 121.140 119.914 0.403 0.000 3.337 224 V HA 0.187 4.307 4.120 -0.000 0.000 0.307 224 V C 1.667 177.935 176.094 0.290 0.000 1.505 224 V CA 0.125 62.636 62.300 0.351 0.000 1.072 224 V CB -0.165 31.879 31.823 0.369 0.000 0.929 224 V HN 0.564 nan 8.190 nan 0.000 0.455 225 T N 0.798 115.565 114.554 0.354 0.000 2.869 225 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 225 T C 1.039 175.858 174.700 0.197 0.000 1.082 225 T CA 2.308 64.612 62.100 0.340 0.000 1.123 225 T CB -0.364 68.731 68.868 0.379 0.000 0.856 225 T HN 0.613 nan 8.240 nan 0.000 0.499 226 D N 0.667 121.163 120.400 0.160 0.000 2.538 226 D HA 0.202 4.842 4.640 -0.000 0.000 0.231 226 D C -0.205 176.138 176.300 0.072 0.000 1.229 226 D CA 0.046 54.105 54.000 0.099 0.000 0.828 226 D CB 0.701 41.549 40.800 0.080 0.000 1.035 226 D HN 0.272 nan 8.370 nan 0.000 0.495 227 T N 0.498 115.111 114.554 0.098 0.000 2.845 227 T HA 0.412 4.762 4.350 -0.000 0.000 0.288 227 T C 0.354 175.043 174.700 -0.018 0.000 0.980 227 T CA -0.335 61.783 62.100 0.031 0.000 1.071 227 T CB 2.152 71.085 68.868 0.109 0.000 0.941 227 T HN -0.250 nan 8.240 nan 0.000 0.487 228 V N 3.870 123.677 119.914 -0.179 0.000 2.715 228 V HA 0.392 4.512 4.120 -0.000 0.000 0.310 228 V C 1.569 177.315 176.094 -0.579 0.000 1.054 228 V CA -1.136 60.986 62.300 -0.296 0.000 0.928 228 V CB 1.651 33.323 31.823 -0.252 0.000 1.007 228 V HN 0.881 nan 8.190 nan 0.000 0.437 229 R N 3.208 123.056 120.500 -1.087 0.000 2.208 229 R HA -0.281 4.059 4.340 -0.000 0.000 0.262 229 R C 1.739 177.649 176.300 -0.650 0.000 1.166 229 R CA 2.635 57.922 56.100 -1.356 0.000 0.987 229 R CB -0.332 29.225 30.300 -1.238 0.000 0.887 229 R HN 0.628 nan 8.270 nan 0.000 0.459 230 K N 0.692 120.797 120.400 -0.491 0.000 2.097 230 K HA -0.128 4.191 4.320 -0.000 0.000 0.206 230 K C 1.263 177.603 176.600 -0.433 0.000 1.049 230 K CA 2.137 58.203 56.287 -0.369 0.000 0.933 230 K CB -0.320 32.012 32.500 -0.280 0.000 0.717 230 K HN 0.400 nan 8.250 nan 0.000 0.442 231 D N -0.161 119.896 120.400 -0.571 0.000 2.106 231 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 231 D C 2.012 177.675 176.300 -1.062 0.000 0.988 231 D CA 1.803 55.251 54.000 -0.920 0.000 0.845 231 D CB -0.698 39.395 40.800 -1.177 0.000 0.990 231 D HN -0.010 nan 8.370 nan 0.000 0.448 232 V N 1.835 121.190 119.914 -0.933 0.000 2.280 232 V HA -0.327 3.793 4.120 -0.000 0.000 0.258 232 V C 2.411 178.396 176.094 -0.181 0.000 1.081 232 V CA 2.132 64.284 62.300 -0.247 0.000 1.070 232 V CB -0.587 31.258 31.823 0.036 0.000 0.666 232 V HN 0.269 nan 8.190 nan 0.000 0.450 233 E N -0.779 119.263 120.200 -0.262 0.000 2.051 233 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 233 E C 2.351 178.842 176.600 -0.182 0.000 0.991 233 E CA 1.324 57.595 56.400 -0.215 0.000 0.799 233 E CB -0.244 29.330 29.700 -0.210 0.000 0.748 233 E HN 0.657 nan 8.360 nan 0.000 0.449 234 E N 0.300 120.385 120.200 -0.191 0.000 2.150 234 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 234 E C 1.276 177.902 176.600 0.044 0.000 0.985 234 E CA 0.527 56.868 56.400 -0.098 0.000 0.814 234 E CB -0.019 29.606 29.700 -0.124 0.000 0.752 234 E HN 0.338 nan 8.360 nan 0.000 0.466 235 W N 1.267 122.485 121.300 -0.136 0.000 2.708 235 W HA 0.050 4.710 4.660 -0.000 0.000 0.256 235 W C 0.895 177.298 176.519 -0.193 0.000 1.243 235 W CA 1.443 58.725 57.345 -0.105 0.000 1.261 235 W CB -1.219 28.218 29.460 -0.038 0.000 1.142 235 W HN 0.173 nan 8.180 nan 0.000 0.645 236 G N 0.656 109.432 108.800 -0.039 0.000 2.777 236 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 236 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 236 G C -2.315 172.364 174.900 -0.368 0.000 1.177 236 G CA -1.211 43.826 45.100 -0.106 0.000 0.775 236 G HN -0.126 nan 8.290 nan 0.000 0.613 237 P HA 0.431 nan 4.420 nan 0.000 0.269 237 P C -0.244 177.025 177.300 -0.051 0.000 1.209 237 P CA 0.161 63.130 63.100 -0.219 0.000 0.776 237 P CB 0.457 32.104 31.700 -0.088 0.000 0.876 238 F N 0.523 120.548 119.950 0.124 0.000 2.523 238 F HA 0.268 4.795 4.527 -0.000 0.000 0.329 238 F C 1.454 177.378 175.800 0.206 0.000 1.061 238 F CA -0.751 57.345 58.000 0.161 0.000 0.967 238 F CB 1.968 41.092 39.000 0.206 0.000 1.218 238 F HN 0.231 nan 8.300 nan 0.000 0.480 239 D N 0.689 121.298 120.400 0.349 0.000 2.514 239 D HA 0.123 4.763 4.640 -0.000 0.000 0.249 239 D C -0.562 175.765 176.300 0.045 0.000 1.036 239 D CA 0.690 54.824 54.000 0.224 0.000 0.911 239 D CB 1.168 42.108 40.800 0.232 0.000 1.145 239 D HN 0.121 nan 8.370 nan 0.000 0.495 240 L N 1.298 122.514 121.223 -0.012 0.000 2.438 240 L HA 0.402 4.742 4.340 -0.000 0.000 0.270 240 L C -1.592 175.191 176.870 -0.144 0.000 0.972 240 L CA -0.686 54.073 54.840 -0.135 0.000 0.831 240 L CB 2.242 44.218 42.059 -0.138 0.000 1.273 240 L HN -0.343 nan 8.230 nan 0.000 0.405 241 V N 5.956 125.831 119.914 -0.065 0.000 2.334 241 V HA 0.390 4.510 4.120 -0.000 0.000 0.281 241 V C -0.721 175.546 176.094 0.288 0.000 1.016 241 V CA -0.465 61.864 62.300 0.048 0.000 0.832 241 V CB 1.016 32.881 31.823 0.070 0.000 0.999 241 V HN 0.758 nan 8.190 nan 0.000 0.439 242 Y N 3.871 124.240 120.300 0.114 0.000 2.568 242 Y HA 0.910 5.460 4.550 -0.000 0.000 0.327 242 Y C 0.372 176.429 175.900 0.262 0.000 1.163 242 Y CA -0.045 58.187 58.100 0.220 0.000 1.219 242 Y CB 2.234 40.743 38.460 0.081 0.000 1.308 242 Y HN 0.731 nan 8.280 nan 0.000 0.503 243 G N 0.763 109.188 108.800 -0.624 0.000 2.404 243 G HA2 0.625 4.585 3.960 -0.000 0.000 0.298 243 G HA3 0.625 4.585 3.960 -0.000 0.000 0.298 243 G C -2.344 172.371 174.900 -0.307 0.000 1.577 243 G CA -0.204 44.688 45.100 -0.347 0.000 0.847 243 G HN 1.247 nan 8.290 nan 0.000 0.598 244 A N 0.238 123.098 122.820 0.067 0.000 2.605 244 A HA 0.953 5.273 4.320 -0.000 0.000 0.294 244 A C 0.196 177.996 177.584 0.360 0.000 1.062 244 A CA 0.205 52.389 52.037 0.245 0.000 0.682 244 A CB 0.846 19.890 19.000 0.073 0.000 1.278 244 A HN 2.378 nan 8.150 nan 0.000 0.410 245 T N 0.837 115.542 114.554 0.252 0.000 2.855 245 T HA 0.468 4.818 4.350 -0.000 0.000 0.322 245 T C -1.997 172.727 174.700 0.040 0.000 1.088 245 T CA -0.533 61.579 62.100 0.021 0.000 1.104 245 T CB 0.093 68.999 68.868 0.063 0.000 0.996 245 T HN 0.519 nan 8.240 nan 0.000 0.549 246 P HA 0.296 nan 4.420 nan 0.000 0.274 246 P C -2.419 174.983 177.300 0.169 0.000 1.237 246 P CA -1.666 61.441 63.100 0.012 0.000 0.793 246 P CB 0.003 31.614 31.700 -0.147 0.000 0.977 247 P HA 0.076 nan 4.420 nan 0.000 0.286 247 P C 1.285 178.630 177.300 0.075 0.000 1.293 247 P CA -0.293 62.878 63.100 0.118 0.000 0.770 247 P CB 0.625 32.400 31.700 0.124 0.000 1.206 248 L N -0.560 120.679 121.223 0.025 0.000 2.083 248 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 248 L C 2.181 179.098 176.870 0.079 0.000 1.083 248 L CA 2.246 57.110 54.840 0.039 0.000 0.752 248 L CB -2.445 39.611 42.059 -0.005 0.000 0.899 248 L HN 0.542 nan 8.230 nan 0.000 0.433 249 G N -0.132 108.711 108.800 0.071 0.000 3.325 249 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.242 249 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.242 249 G C 0.512 175.491 174.900 0.132 0.000 1.120 249 G CA -0.287 44.865 45.100 0.087 0.000 1.778 249 G HN 0.431 nan 8.290 nan 0.000 0.610 250 H N 0.668 119.765 119.070 0.045 0.000 3.188 250 H HA -0.094 4.462 4.556 -0.000 0.000 0.255 250 H C 0.527 175.885 175.328 0.051 0.000 0.815 250 H CA 1.348 57.428 56.048 0.053 0.000 1.436 250 H CB 0.456 30.246 29.762 0.045 0.000 1.378 250 H HN 0.184 nan 8.280 nan 0.000 0.510 251 T N 4.196 118.679 114.554 -0.118 0.000 2.999 251 T HA 0.116 4.466 4.350 -0.000 0.000 0.247 251 T C 0.526 175.135 174.700 -0.150 0.000 1.012 251 T CA 0.333 62.411 62.100 -0.037 0.000 1.048 251 T CB 0.407 69.278 68.868 0.005 0.000 1.020 251 T HN 0.546 nan 8.240 nan 0.000 0.478 252 C N 3.310 122.395 119.300 -0.358 0.000 2.298 252 C HA 0.508 4.968 4.460 -0.000 0.000 0.323 252 C C -0.043 174.702 174.990 -0.408 0.000 1.284 252 C CA -1.466 57.401 59.018 -0.252 0.000 1.577 252 C CB 0.433 28.128 27.740 -0.075 0.000 2.249 252 C HN 0.403 nan 8.230 nan 0.000 0.497 253 D N 3.465 123.814 120.400 -0.086 0.000 2.402 253 D HA 0.267 4.907 4.640 -0.000 0.000 0.235 253 D C -0.032 176.257 176.300 -0.017 0.000 1.226 253 D CA 0.240 54.333 54.000 0.155 0.000 0.918 253 D CB 0.067 40.977 40.800 0.184 0.000 1.043 253 D HN 0.574 nan 8.370 nan 0.000 0.506 254 R N 3.909 124.408 120.500 -0.002 0.000 2.585 254 R HA 0.254 4.594 4.340 -0.000 0.000 0.288 254 R C -2.629 173.672 176.300 0.000 0.000 1.194 254 R CA -1.629 54.341 56.100 -0.215 0.000 1.006 254 R CB 1.677 31.623 30.300 -0.590 0.000 1.229 254 R HN 0.206 nan 8.270 nan 0.000 0.412 255 P HA -0.112 nan 4.420 nan 0.000 0.257 255 P C -1.930 175.516 177.300 0.244 0.000 1.153 255 P CA -0.478 62.701 63.100 0.131 0.000 0.762 255 P CB 0.346 32.111 31.700 0.107 0.000 0.743 256 P HA -0.340 nan 4.420 nan 0.000 0.216 256 P C 1.532 179.047 177.300 0.358 0.000 1.167 256 P CA 2.423 65.749 63.100 0.375 0.000 0.933 256 P CB -0.453 31.387 31.700 0.233 0.000 0.793 257 S N -2.626 113.194 115.700 0.200 0.000 2.444 257 S HA -0.279 4.191 4.470 -0.000 0.000 0.244 257 S C 1.746 176.410 174.600 0.106 0.000 1.025 257 S CA 1.331 59.562 58.200 0.051 0.000 0.995 257 S CB -1.858 61.381 63.200 0.064 0.000 0.781 257 S HN 0.269 nan 8.310 nan 0.000 0.496 258 W N 1.939 123.271 121.300 0.053 0.000 2.322 258 W HA -0.148 4.512 4.660 -0.000 0.000 0.326 258 W C 2.008 178.517 176.519 -0.017 0.000 1.224 258 W CA 1.569 58.915 57.345 0.001 0.000 1.257 258 W CB -1.090 28.212 29.460 -0.264 0.000 1.174 258 W HN 0.290 nan 8.180 nan 0.000 0.460 259 Y N 0.302 120.729 120.300 0.211 0.000 2.096 259 Y HA -0.413 4.137 4.550 -0.000 0.000 0.276 259 Y C 2.671 178.566 175.900 -0.008 0.000 1.209 259 Y CA 1.806 59.938 58.100 0.053 0.000 1.137 259 Y CB -1.527 37.052 38.460 0.199 0.000 0.956 259 Y HN 0.051 nan 8.280 nan 0.000 0.506 260 L N -0.178 121.108 121.223 0.105 0.000 2.021 260 L HA -0.293 4.047 4.340 -0.000 0.000 0.215 260 L C 2.080 178.741 176.870 -0.349 0.000 1.074 260 L CA 2.166 56.853 54.840 -0.255 0.000 0.760 260 L CB -1.215 40.629 42.059 -0.359 0.000 0.889 260 L HN 0.307 nan 8.230 nan 0.000 0.433 261 F N -0.025 119.775 119.950 -0.251 0.000 2.060 261 F HA -0.239 4.288 4.527 -0.000 0.000 0.295 261 F C 2.868 178.497 175.800 -0.285 0.000 1.120 261 F CA 1.103 58.907 58.000 -0.328 0.000 1.205 261 F CB -0.335 38.435 39.000 -0.384 0.000 0.986 261 F HN 0.156 nan 8.300 nan 0.000 0.470 262 Q N 0.149 119.795 119.800 -0.256 0.000 2.030 262 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 262 Q C 2.115 178.047 176.000 -0.113 0.000 0.986 262 Q CA 1.843 57.464 55.803 -0.304 0.000 0.843 262 Q CB -1.311 27.058 28.738 -0.614 0.000 0.904 262 Q HN 0.454 nan 8.270 nan 0.000 0.420 263 F N 1.676 121.537 119.950 -0.147 0.000 2.063 263 F HA -0.353 4.173 4.527 -0.000 0.000 0.298 263 F C 2.470 178.101 175.800 -0.281 0.000 1.105 263 F CA 2.373 60.212 58.000 -0.268 0.000 1.215 263 F CB -0.598 38.065 39.000 -0.562 0.000 0.972 263 F HN 0.334 nan 8.300 nan 0.000 0.483 264 H N 0.943 119.893 119.070 -0.200 0.000 2.252 264 H HA -0.224 4.332 4.556 -0.000 0.000 0.292 264 H C 2.548 177.639 175.328 -0.395 0.000 1.082 264 H CA 2.507 58.408 56.048 -0.245 0.000 1.229 264 H CB -0.556 29.193 29.762 -0.022 0.000 1.353 264 H HN 0.277 nan 8.280 nan 0.000 0.488 265 R N -0.101 120.274 120.500 -0.208 0.000 2.264 265 R HA -0.225 4.115 4.340 -0.000 0.000 0.223 265 R C 2.890 178.663 176.300 -0.878 0.000 1.090 265 R CA 2.094 57.920 56.100 -0.456 0.000 0.857 265 R CB -0.782 29.311 30.300 -0.346 0.000 0.835 265 R HN 0.308 nan 8.270 nan 0.000 0.428 266 L N 0.706 121.501 121.223 -0.712 0.000 2.119 266 L HA -0.345 3.995 4.340 -0.000 0.000 0.226 266 L C 2.599 179.199 176.870 -0.449 0.000 1.093 266 L CA 1.413 55.949 54.840 -0.507 0.000 0.806 266 L CB -0.672 41.259 42.059 -0.213 0.000 0.902 266 L HN 0.428 nan 8.230 nan 0.000 0.444 267 L N -0.502 120.361 121.223 -0.600 0.000 1.990 267 L HA -0.311 4.029 4.340 -0.000 0.000 0.213 267 L C 2.611 179.282 176.870 -0.331 0.000 1.072 267 L CA 2.120 56.666 54.840 -0.491 0.000 0.755 267 L CB -0.786 40.797 42.059 -0.793 0.000 0.889 267 L HN 0.370 nan 8.230 nan 0.000 0.432 268 Q N -0.733 118.780 119.800 -0.478 0.000 2.152 268 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 268 Q C 1.985 177.916 176.000 -0.114 0.000 0.985 268 Q CA 2.283 57.891 55.803 -0.325 0.000 0.863 268 Q CB -0.570 27.965 28.738 -0.338 0.000 0.904 268 Q HN 0.655 nan 8.270 nan 0.000 0.422 269 Y N -0.811 119.392 120.300 -0.161 0.000 2.145 269 Y HA -0.259 4.291 4.550 -0.000 0.000 0.286 269 Y C 2.333 178.170 175.900 -0.105 0.000 1.145 269 Y CA 0.167 58.189 58.100 -0.130 0.000 1.148 269 Y CB -0.315 38.078 38.460 -0.112 0.000 0.981 269 Y HN 0.209 nan 8.280 nan 0.000 0.507 270 A N 0.640 123.543 122.820 0.138 0.000 1.940 270 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 270 A C 1.463 179.081 177.584 0.056 0.000 1.176 270 A CA 0.579 52.736 52.037 0.201 0.000 0.631 270 A CB -0.557 18.687 19.000 0.407 0.000 0.814 270 A HN 0.226 nan 8.150 nan 0.000 0.446 271 R N -0.206 120.185 120.500 -0.182 0.000 2.973 271 R HA 0.060 4.400 4.340 -0.000 0.000 0.277 271 R C -2.315 173.724 176.300 -0.435 0.000 1.000 271 R CA -0.023 55.687 56.100 -0.650 0.000 1.175 271 R CB -0.553 29.438 30.300 -0.514 0.000 1.113 271 R HN 0.337 nan 8.270 nan 0.000 0.495 272 P HA 0.228 nan 4.420 nan 0.000 0.292 272 P C -1.282 175.896 177.300 -0.204 0.000 1.308 272 P CA -0.741 62.192 63.100 -0.278 0.000 0.933 272 P CB 1.059 32.599 31.700 -0.267 0.000 1.217 273 K N 2.020 122.331 120.400 -0.148 0.000 2.319 273 K HA 0.128 4.448 4.320 -0.000 0.000 0.277 273 K C -1.980 174.558 176.600 -0.104 0.000 1.111 273 K CA -0.929 55.289 56.287 -0.115 0.000 1.093 273 K CB -1.476 30.966 32.500 -0.095 0.000 0.910 273 K HN 0.368 nan 8.250 nan 0.000 0.452 274 P HA -0.209 nan 4.420 nan 0.000 0.259 274 P C 0.857 178.120 177.300 -0.061 0.000 1.120 274 P CA 1.620 64.673 63.100 -0.078 0.000 0.759 274 P CB 0.108 31.768 31.700 -0.066 0.000 0.704 275 G N 1.661 110.429 108.800 -0.052 0.000 2.213 275 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.226 275 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.226 275 G C 0.573 175.446 174.900 -0.046 0.000 0.992 275 G CA 0.126 45.203 45.100 -0.038 0.000 0.632 275 G HN 0.808 nan 8.290 nan 0.000 0.511 276 S N 1.329 116.988 115.700 -0.069 0.000 2.573 276 S HA 0.456 4.926 4.470 -0.000 0.000 0.277 276 S C 0.390 174.936 174.600 -0.089 0.000 1.346 276 S CA 0.165 58.316 58.200 -0.082 0.000 1.034 276 S CB 0.648 63.785 63.200 -0.105 0.000 0.879 276 S HN 0.183 nan 8.310 nan 0.000 0.528 277 P HA -0.075 nan 4.420 nan 0.000 0.216 277 P C 0.882 178.066 177.300 -0.192 0.000 0.860 277 P CA 2.242 65.271 63.100 -0.118 0.000 1.042 277 P CB -0.189 31.431 31.700 -0.133 0.000 0.716 278 G N -5.374 103.216 108.800 -0.351 0.000 2.789 278 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.218 278 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.218 278 G C -2.722 171.401 174.900 -1.295 0.000 0.980 278 G CA -0.451 44.241 45.100 -0.681 0.000 0.848 278 G HN 0.247 nan 8.290 nan 0.000 0.591 279 P HA 0.442 nan 4.420 nan 0.000 0.268 279 P C -1.103 175.835 177.300 -0.602 0.000 1.485 279 P CA 0.307 62.927 63.100 -0.801 0.000 1.102 279 P CB -0.242 31.250 31.700 -0.346 0.000 1.501 280 F N 5.218 124.499 119.950 -1.116 0.000 2.579 280 F HA 0.537 5.064 4.527 -0.000 0.000 0.325 280 F C -1.459 173.960 175.800 -0.635 0.000 1.162 280 F CA -0.909 56.746 58.000 -0.575 0.000 0.946 280 F CB 0.818 39.687 39.000 -0.218 0.000 1.211 280 F HN 0.035 nan 8.300 nan 0.000 0.447 281 F N 5.521 125.213 119.950 -0.429 0.000 2.546 281 F HA 0.633 5.160 4.527 -0.000 0.000 0.320 281 F C -0.893 174.734 175.800 -0.288 0.000 1.076 281 F CA -1.020 56.813 58.000 -0.278 0.000 0.928 281 F CB 1.646 40.513 39.000 -0.221 0.000 1.189 281 F HN 0.470 nan 8.300 nan 0.000 0.465 282 W N 3.170 124.493 121.300 0.037 0.000 3.127 282 W HA 0.771 5.431 4.660 -0.000 0.000 0.330 282 W C -2.177 174.524 176.519 0.303 0.000 1.187 282 W CA -1.276 56.152 57.345 0.137 0.000 1.198 282 W CB 1.624 31.188 29.460 0.173 0.000 1.408 282 W HN 0.655 nan 8.180 nan 0.000 0.529 283 M N 3.951 123.907 119.600 0.593 0.000 2.470 283 M HA 0.613 5.093 4.480 -0.000 0.000 0.285 283 M C -2.547 173.915 176.300 0.270 0.000 1.213 283 M CA -0.493 55.041 55.300 0.390 0.000 0.901 283 M CB 3.068 35.880 32.600 0.353 0.000 1.718 283 M HN 0.454 nan 8.290 nan 0.000 0.469 284 F N 4.121 124.077 119.950 0.011 0.000 2.547 284 F HA 0.760 5.287 4.527 -0.000 0.000 0.316 284 F C -1.870 173.985 175.800 0.090 0.000 1.121 284 F CA -0.824 57.003 58.000 -0.289 0.000 0.911 284 F CB 1.652 40.322 39.000 -0.550 0.000 1.179 284 F HN 0.288 nan 8.300 nan 0.000 0.443 285 V N 4.480 124.217 119.914 -0.295 0.000 2.715 285 V HA 0.451 4.571 4.120 -0.000 0.000 0.310 285 V C -1.283 174.664 176.094 -0.244 0.000 1.054 285 V CA -0.666 61.555 62.300 -0.133 0.000 0.928 285 V CB 2.062 34.017 31.823 0.220 0.000 1.007 285 V HN 0.697 nan 8.190 nan 0.000 0.437 286 D N 2.031 122.345 120.400 -0.143 0.000 2.757 286 D HA 0.358 4.998 4.640 -0.000 0.000 0.249 286 D C -0.328 175.895 176.300 -0.128 0.000 1.168 286 D CA -0.548 53.391 54.000 -0.102 0.000 0.870 286 D CB 1.487 42.279 40.800 -0.012 0.000 1.411 286 D HN 0.403 nan 8.370 nan 0.000 0.525 287 N N 3.599 122.220 118.700 -0.132 0.000 2.597 287 N HA 0.258 4.998 4.740 -0.000 0.000 0.269 287 N C -0.199 175.230 175.510 -0.135 0.000 1.204 287 N CA -0.142 52.773 53.050 -0.224 0.000 0.947 287 N CB -0.341 37.943 38.487 -0.338 0.000 1.258 287 N HN 0.496 nan 8.380 nan 0.000 0.508 288 L N -2.302 118.866 121.223 -0.092 0.000 3.898 288 L HA -0.226 4.114 4.340 -0.000 0.000 0.407 288 L C 0.730 177.590 176.870 -0.016 0.000 1.207 288 L CA -0.111 54.696 54.840 -0.055 0.000 0.931 288 L CB -2.024 39.989 42.059 -0.077 0.000 2.014 288 L HN 0.191 nan 8.230 nan 0.000 0.858 289 V N -0.624 119.295 119.914 0.009 0.000 3.471 289 V HA 0.221 4.341 4.120 -0.000 0.000 0.258 289 V C 1.145 177.283 176.094 0.072 0.000 1.192 289 V CA 0.549 62.877 62.300 0.046 0.000 1.116 289 V CB 0.374 32.236 31.823 0.066 0.000 0.792 289 V HN 0.256 nan 8.190 nan 0.000 0.459 290 L N 1.991 123.259 121.223 0.076 0.000 2.379 290 L HA 0.416 4.756 4.340 -0.000 0.000 0.269 290 L C 0.288 177.203 176.870 0.075 0.000 1.084 290 L CA 0.117 55.012 54.840 0.092 0.000 0.802 290 L CB 0.993 43.123 42.059 0.118 0.000 1.175 290 L HN 0.498 nan 8.230 nan 0.000 0.448 291 N N -0.110 118.633 118.700 0.072 0.000 2.491 291 N HA 0.338 5.078 4.740 -0.000 0.000 0.279 291 N C 0.591 176.142 175.510 0.068 0.000 1.236 291 N CA -0.579 52.507 53.050 0.060 0.000 0.982 291 N CB 0.599 39.117 38.487 0.052 0.000 1.194 291 N HN 0.567 nan 8.380 nan 0.000 0.582 292 K N -0.518 119.917 120.400 0.059 0.000 2.000 292 K HA -0.322 3.998 4.320 -0.000 0.000 0.218 292 K C 1.600 178.245 176.600 0.074 0.000 1.053 292 K CA 1.770 58.096 56.287 0.065 0.000 0.946 292 K CB -0.443 32.088 32.500 0.052 0.000 0.723 292 K HN 0.725 nan 8.250 nan 0.000 0.446 293 E N 1.090 121.329 120.200 0.065 0.000 2.000 293 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 293 E C 1.531 178.173 176.600 0.070 0.000 1.011 293 E CA 2.068 58.508 56.400 0.068 0.000 0.836 293 E CB -0.331 29.406 29.700 0.061 0.000 0.778 293 E HN 0.378 nan 8.360 nan 0.000 0.462 294 D N 0.079 120.517 120.400 0.063 0.000 2.397 294 D HA -0.156 4.484 4.640 -0.000 0.000 0.219 294 D C 1.545 177.866 176.300 0.035 0.000 0.975 294 D CA 0.590 54.616 54.000 0.043 0.000 0.940 294 D CB 0.023 40.856 40.800 0.054 0.000 0.884 294 D HN 0.215 nan 8.370 nan 0.000 0.505 295 L N -0.746 120.527 121.223 0.083 0.000 2.349 295 L HA 0.042 4.381 4.340 -0.000 0.000 0.200 295 L C 1.467 178.435 176.870 0.163 0.000 1.064 295 L CA 0.400 55.327 54.840 0.145 0.000 0.821 295 L CB 0.171 42.342 42.059 0.187 0.000 1.027 295 L HN -0.189 nan 8.230 nan 0.000 0.476 296 D N -0.146 120.338 120.400 0.140 0.000 2.280 296 D HA -0.190 4.450 4.640 -0.000 0.000 0.206 296 D C 2.079 178.463 176.300 0.141 0.000 0.988 296 D CA 1.381 55.468 54.000 0.144 0.000 0.886 296 D CB 0.271 41.138 40.800 0.111 0.000 0.914 296 D HN 0.243 nan 8.370 nan 0.000 0.473 297 V N 1.548 121.524 119.914 0.105 0.000 2.221 297 V HA -0.248 3.872 4.120 -0.000 0.000 0.242 297 V C 2.636 178.781 176.094 0.084 0.000 1.041 297 V CA 1.795 64.155 62.300 0.101 0.000 0.995 297 V CB -0.912 30.900 31.823 -0.019 0.000 0.635 297 V HN 0.172 nan 8.190 nan 0.000 0.448 298 A N 0.024 122.788 122.820 -0.093 0.000 1.909 298 A HA -0.353 3.967 4.320 -0.000 0.000 0.221 298 A C 2.403 179.904 177.584 -0.138 0.000 1.223 298 A CA 3.010 54.896 52.037 -0.251 0.000 0.658 298 A CB -1.243 17.512 19.000 -0.408 0.000 0.831 298 A HN 0.546 nan 8.150 nan 0.000 0.462 299 S N -0.979 114.781 115.700 0.100 0.000 2.419 299 S HA -0.144 4.326 4.470 -0.000 0.000 0.235 299 S C 2.044 176.767 174.600 0.206 0.000 1.019 299 S CA 1.226 59.605 58.200 0.299 0.000 0.982 299 S CB -0.290 63.173 63.200 0.439 0.000 0.789 299 S HN 0.506 nan 8.310 nan 0.000 0.490 300 R N 0.284 120.895 120.500 0.184 0.000 2.075 300 R HA 0.152 4.492 4.340 -0.000 0.000 0.226 300 R C 1.748 178.086 176.300 0.064 0.000 1.114 300 R CA 0.910 57.089 56.100 0.133 0.000 0.972 300 R CB -0.953 29.433 30.300 0.143 0.000 0.869 300 R HN 0.428 nan 8.270 nan 0.000 0.437 301 F N 0.769 120.681 119.950 -0.064 0.000 2.206 301 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 301 F C 2.138 177.934 175.800 -0.006 0.000 1.090 301 F CA 0.897 58.830 58.000 -0.113 0.000 1.323 301 F CB -0.293 38.554 39.000 -0.255 0.000 1.028 301 F HN -0.108 nan 8.300 nan 0.000 0.492 302 L N -0.601 120.706 121.223 0.140 0.000 2.558 302 L HA 0.034 4.374 4.340 -0.000 0.000 0.225 302 L C 0.292 177.306 176.870 0.240 0.000 1.128 302 L CA 0.345 55.264 54.840 0.131 0.000 0.868 302 L CB -0.516 41.550 42.059 0.011 0.000 1.006 302 L HN 0.129 nan 8.230 nan 0.000 0.454 303 E N 0.880 121.196 120.200 0.193 0.000 2.389 303 E HA -0.235 4.115 4.350 -0.000 0.000 0.243 303 E C -0.140 176.617 176.600 0.262 0.000 1.154 303 E CA 0.642 57.157 56.400 0.192 0.000 0.723 303 E CB -1.384 28.404 29.700 0.146 0.000 1.261 303 E HN 0.602 nan 8.360 nan 0.000 0.390 304 M N -2.237 117.565 119.600 0.336 0.000 2.342 304 M HA 0.317 4.797 4.480 -0.000 0.000 0.276 304 M C -1.131 175.397 176.300 0.380 0.000 1.054 304 M CA -0.902 54.594 55.300 0.327 0.000 0.930 304 M CB 1.719 34.528 32.600 0.349 0.000 1.929 304 M HN -0.251 nan 8.290 nan 0.000 0.492 305 E N 3.207 123.527 120.200 0.200 0.000 2.414 305 E HA 0.286 4.636 4.350 -0.000 0.000 0.263 305 E C -2.307 174.260 176.600 -0.055 0.000 1.000 305 E CA -0.915 55.558 56.400 0.122 0.000 0.914 305 E CB 0.243 29.960 29.700 0.028 0.000 0.948 305 E HN 0.480 nan 8.360 nan 0.000 0.444 306 P HA -0.066 nan 4.420 nan 0.000 0.272 306 P C -0.630 176.410 177.300 -0.433 0.000 1.239 306 P CA 0.080 62.744 63.100 -0.728 0.000 0.807 306 P CB 0.481 31.720 31.700 -0.769 0.000 0.951 307 V N -0.285 119.391 119.914 -0.397 0.000 2.443 307 V HA 0.167 4.287 4.120 -0.000 0.000 0.272 307 V C 0.142 176.245 176.094 0.015 0.000 1.002 307 V CA -0.577 61.664 62.300 -0.099 0.000 0.840 307 V CB 0.870 32.634 31.823 -0.098 0.000 1.042 307 V HN 0.563 nan 8.190 nan 0.000 0.446 308 T N 6.181 120.815 114.554 0.135 0.000 2.799 308 T HA 0.501 4.851 4.350 -0.000 0.000 0.296 308 T C -0.126 174.557 174.700 -0.029 0.000 0.947 308 T CA -0.008 62.076 62.100 -0.027 0.000 1.141 308 T CB -0.149 68.688 68.868 -0.052 0.000 0.891 308 T HN 0.649 nan 8.240 nan 0.000 0.533 309 I N 5.323 125.842 120.570 -0.086 0.000 2.382 309 I HA 0.660 4.830 4.170 -0.000 0.000 0.286 309 I C -2.753 173.201 176.117 -0.273 0.000 1.002 309 I CA -2.905 58.324 61.300 -0.119 0.000 1.135 309 I CB 2.316 40.285 38.000 -0.052 0.000 1.288 309 I HN 0.377 nan 8.210 nan 0.000 0.448 310 P HA 0.275 nan 4.420 nan 0.000 0.285 310 P C -1.419 175.590 177.300 -0.485 0.000 1.269 310 P CA -0.226 62.591 63.100 -0.472 0.000 0.844 310 P CB 1.836 33.218 31.700 -0.529 0.000 1.094 311 D N 1.371 121.569 120.400 -0.336 0.000 2.392 311 D HA 0.279 4.919 4.640 -0.000 0.000 0.228 311 D C -0.233 175.933 176.300 -0.224 0.000 1.074 311 D CA -0.555 53.290 54.000 -0.258 0.000 0.838 311 D CB 0.740 41.430 40.800 -0.183 0.000 1.067 311 D HN 0.104 nan 8.370 nan 0.000 0.511 312 V N 2.526 122.304 119.914 -0.227 0.000 2.953 312 V HA 0.438 4.558 4.120 -0.000 0.000 0.304 312 V C 0.267 176.357 176.094 -0.007 0.000 1.073 312 V CA -0.257 61.955 62.300 -0.146 0.000 1.064 312 V CB 1.596 33.312 31.823 -0.178 0.000 1.047 312 V HN 0.735 nan 8.190 nan 0.000 0.478 313 H N 0.761 119.770 119.070 -0.102 0.000 3.109 313 H HA 0.444 5.000 4.556 -0.000 0.000 0.248 313 H C 0.696 175.992 175.328 -0.053 0.000 1.177 313 H CA 0.230 56.235 56.048 -0.072 0.000 0.977 313 H CB 0.051 29.771 29.762 -0.070 0.000 2.165 313 H HN 1.499 nan 8.280 nan 0.000 0.693 314 G N 0.087 108.843 108.800 -0.074 0.000 2.520 314 G HA2 0.147 4.107 3.960 -0.000 0.000 0.264 314 G HA3 0.147 4.107 3.960 -0.000 0.000 0.264 314 G C 1.017 175.900 174.900 -0.028 0.000 1.140 314 G CA 0.683 45.737 45.100 -0.076 0.000 1.012 314 G HN 1.377 nan 8.290 nan 0.000 0.511 315 G N -1.505 107.287 108.800 -0.013 0.000 2.397 315 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.211 315 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.211 315 G C 1.120 176.020 174.900 -0.001 0.000 1.077 315 G CA 0.617 45.714 45.100 -0.004 0.000 0.649 315 G HN 1.803 nan 8.290 nan 0.000 0.511 316 S N -0.212 115.503 115.700 0.025 0.000 2.633 316 S HA 0.682 5.152 4.470 -0.000 0.000 0.257 316 S C -0.346 174.243 174.600 -0.020 0.000 1.265 316 S CA 0.576 58.786 58.200 0.017 0.000 0.980 316 S CB 1.466 64.702 63.200 0.061 0.000 1.017 316 S HN 1.132 nan 8.310 nan 0.000 0.577 317 L N 1.536 122.728 121.223 -0.052 0.000 2.568 317 L HA 0.332 4.672 4.340 -0.000 0.000 0.262 317 L C 0.402 177.206 176.870 -0.110 0.000 0.980 317 L CA -0.096 54.690 54.840 -0.091 0.000 0.882 317 L CB 1.220 43.222 42.059 -0.094 0.000 1.198 317 L HN 0.489 nan 8.230 nan 0.000 0.425 318 Q N 1.589 121.310 119.800 -0.131 0.000 1.961 318 Q HA 0.195 4.535 4.340 -0.000 0.000 0.197 318 Q C 0.204 176.118 176.000 -0.144 0.000 0.977 318 Q CA 1.174 56.886 55.803 -0.151 0.000 0.830 318 Q CB 0.151 28.785 28.738 -0.173 0.000 0.896 318 Q HN 0.611 nan 8.270 nan 0.000 0.437 319 N N -0.969 117.636 118.700 -0.158 0.000 2.701 319 N HA 0.663 5.403 4.740 -0.000 0.000 0.290 319 N C -1.361 174.034 175.510 -0.191 0.000 1.338 319 N CA -0.154 52.793 53.050 -0.171 0.000 0.799 319 N CB 2.283 40.659 38.487 -0.185 0.000 1.491 319 N HN 0.153 nan 8.380 nan 0.000 0.540 320 A N -0.282 122.419 122.820 -0.199 0.000 2.602 320 A HA 0.752 5.072 4.320 -0.000 0.000 0.290 320 A C -1.680 175.773 177.584 -0.218 0.000 1.114 320 A CA -0.424 51.489 52.037 -0.205 0.000 0.683 320 A CB 1.348 20.243 19.000 -0.174 0.000 1.281 320 A HN 0.295 nan 8.150 nan 0.000 0.416 321 V N 1.358 121.148 119.914 -0.207 0.000 2.789 321 V HA 0.413 4.533 4.120 -0.000 0.000 0.300 321 V C -1.118 174.856 176.094 -0.200 0.000 1.184 321 V CA -0.783 61.388 62.300 -0.214 0.000 0.930 321 V CB 2.114 33.798 31.823 -0.232 0.000 1.041 321 V HN 0.929 nan 8.190 nan 0.000 0.430 322 R N 3.005 123.367 120.500 -0.230 0.000 2.349 322 R HA 0.794 5.134 4.340 -0.000 0.000 0.299 322 R C -0.942 175.097 176.300 -0.435 0.000 1.027 322 R CA -0.451 55.436 56.100 -0.356 0.000 0.958 322 R CB 2.018 32.075 30.300 -0.405 0.000 1.047 322 R HN 0.419 nan 8.270 nan 0.000 0.468 323 V N 2.752 122.342 119.914 -0.540 0.000 2.925 323 V HA 0.503 4.623 4.120 -0.000 0.000 0.311 323 V C -1.014 174.825 176.094 -0.424 0.000 1.104 323 V CA -0.782 61.305 62.300 -0.354 0.000 0.954 323 V CB 2.906 34.632 31.823 -0.162 0.000 1.022 323 V HN 0.640 nan 8.190 nan 0.000 0.427 324 W N 2.317 123.623 121.300 0.009 0.000 2.839 324 W HA 0.754 5.414 4.660 -0.000 0.000 0.334 324 W C -0.088 176.390 176.519 -0.069 0.000 1.064 324 W CA -0.334 57.065 57.345 0.089 0.000 1.236 324 W CB 2.040 31.687 29.460 0.312 0.000 1.405 324 W HN 0.632 nan 8.180 nan 0.000 0.478 325 S N 1.302 116.904 115.700 -0.164 0.000 2.645 325 S HA 0.121 4.591 4.470 -0.000 0.000 0.268 325 S C 0.007 174.121 174.600 -0.810 0.000 1.110 325 S CA -0.469 57.241 58.200 -0.817 0.000 0.823 325 S CB 0.533 63.516 63.200 -0.362 0.000 1.091 325 S HN 0.539 nan 8.310 nan 0.000 0.466 326 N N 1.420 119.516 118.700 -1.006 0.000 2.254 326 N HA 0.174 4.914 4.740 -0.000 0.000 0.190 326 N C 0.314 175.746 175.510 -0.131 0.000 1.107 326 N CA -0.078 52.730 53.050 -0.404 0.000 0.869 326 N CB -0.500 37.853 38.487 -0.222 0.000 0.983 326 N HN 0.671 nan 8.380 nan 0.000 0.487 327 I N 2.142 122.607 120.570 -0.175 0.000 2.741 327 I HA 0.037 4.207 4.170 -0.000 0.000 0.288 327 I C -1.857 174.138 176.117 -0.205 0.000 1.192 327 I CA -1.255 59.926 61.300 -0.199 0.000 1.426 327 I CB -0.315 37.554 38.000 -0.218 0.000 1.367 327 I HN -0.229 nan 8.210 nan 0.000 0.563 328 P HA -0.159 nan 4.420 nan 0.000 0.260 328 P C -0.135 177.073 177.300 -0.154 0.000 1.147 328 P CA 0.553 63.459 63.100 -0.324 0.000 0.758 328 P CB 0.291 31.445 31.700 -0.910 0.000 0.744 329 A N 3.525 126.335 122.820 -0.016 0.000 1.613 329 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 329 A C 0.702 178.276 177.584 -0.017 0.000 1.219 329 A CA 0.493 52.548 52.037 0.030 0.000 0.709 329 A CB -1.469 17.592 19.000 0.101 0.000 1.177 329 A HN 0.549 nan 8.150 nan 0.000 0.230 330 I N 0.884 121.432 120.570 -0.037 0.000 4.338 330 I HA 0.240 4.410 4.170 -0.000 0.000 0.329 330 I C 1.453 177.547 176.117 -0.039 0.000 1.378 330 I CA 0.246 61.515 61.300 -0.052 0.000 1.170 330 I CB 0.224 38.170 38.000 -0.090 0.000 1.206 330 I HN 0.531 nan 8.210 nan 0.000 0.432 331 R N -0.863 119.617 120.500 -0.034 0.000 2.426 331 R HA 0.301 4.641 4.340 -0.000 0.000 0.263 331 R C 1.448 177.730 176.300 -0.029 0.000 0.961 331 R CA 0.309 56.381 56.100 -0.047 0.000 1.086 331 R CB 0.087 30.359 30.300 -0.045 0.000 1.186 331 R HN 0.089 nan 8.270 nan 0.000 0.537 332 S N -0.646 115.042 115.700 -0.020 0.000 2.575 332 S HA 0.162 4.631 4.470 -0.000 0.000 0.230 332 S C 1.060 175.623 174.600 -0.063 0.000 1.062 332 S CA -0.164 58.012 58.200 -0.040 0.000 0.913 332 S CB 0.530 63.703 63.200 -0.045 0.000 0.837 332 S HN 0.189 nan 8.310 nan 0.000 0.487 333 R N 1.569 122.055 120.500 -0.024 0.000 2.788 333 R HA 0.173 4.513 4.340 -0.000 0.000 0.264 333 R C -0.391 175.937 176.300 0.047 0.000 1.267 333 R CA 0.024 56.112 56.100 -0.021 0.000 1.213 333 R CB -0.247 30.089 30.300 0.061 0.000 1.256 333 R HN 0.320 nan 8.270 nan 0.000 0.556 334 H N -0.988 118.011 119.070 -0.117 0.000 2.487 334 H HA 0.102 4.658 4.556 -0.000 0.000 0.333 334 H C -0.961 174.285 175.328 -0.136 0.000 1.114 334 H CA -0.489 55.545 56.048 -0.022 0.000 1.310 334 H CB 0.522 30.261 29.762 -0.039 0.000 1.462 334 H HN 0.030 nan 8.280 nan 0.000 0.516 335 W N 4.297 125.310 121.300 -0.479 0.000 2.313 335 W HA 0.446 5.106 4.660 -0.000 0.000 0.315 335 W C 0.695 176.976 176.519 -0.397 0.000 0.917 335 W CA -0.535 56.618 57.345 -0.320 0.000 1.626 335 W CB 0.301 29.625 29.460 -0.227 0.000 1.574 335 W HN 0.842 nan 8.180 nan 0.000 0.395 336 A N 1.440 124.180 122.820 -0.134 0.000 2.272 336 A HA -0.143 4.177 4.320 -0.000 0.000 0.213 336 A C 1.793 179.378 177.584 0.003 0.000 1.183 336 A CA 0.878 52.894 52.037 -0.035 0.000 0.719 336 A CB -0.202 18.834 19.000 0.060 0.000 0.771 336 A HN 0.553 nan 8.150 nan 0.000 0.484 337 L N -0.353 120.896 121.223 0.043 0.000 2.622 337 L HA 0.123 4.463 4.340 -0.000 0.000 0.233 337 L C 0.082 176.978 176.870 0.042 0.000 1.156 337 L CA 0.673 55.558 54.840 0.074 0.000 0.866 337 L CB -0.210 41.952 42.059 0.173 0.000 0.980 337 L HN 0.118 nan 8.230 nan 0.000 0.448 338 V N -1.145 118.771 119.914 0.003 0.000 2.715 338 V HA 0.544 4.664 4.120 -0.000 0.000 0.310 338 V C -0.019 176.063 176.094 -0.019 0.000 1.054 338 V CA -0.628 61.656 62.300 -0.027 0.000 0.928 338 V CB 1.629 33.411 31.823 -0.069 0.000 1.007 338 V HN 0.106 nan 8.190 nan 0.000 0.437 339 S N 1.021 116.711 115.700 -0.018 0.000 2.500 339 S HA 0.413 4.883 4.470 -0.000 0.000 0.301 339 S C 0.730 175.324 174.600 -0.011 0.000 1.092 339 S CA -0.590 57.606 58.200 -0.006 0.000 1.030 339 S CB 1.631 64.831 63.200 -0.001 0.000 1.031 339 S HN 0.814 nan 8.310 nan 0.000 0.483 340 E N 2.706 122.905 120.200 -0.001 0.000 2.086 340 E HA -0.279 4.071 4.350 -0.000 0.000 0.205 340 E C 1.601 178.197 176.600 -0.006 0.000 1.027 340 E CA 2.333 58.732 56.400 -0.001 0.000 0.830 340 E CB -0.306 29.401 29.700 0.011 0.000 0.751 340 E HN 0.893 nan 8.360 nan 0.000 0.456 341 E N 1.049 121.247 120.200 -0.003 0.000 2.396 341 E HA -0.219 4.131 4.350 -0.000 0.000 0.200 341 E C 1.550 178.142 176.600 -0.012 0.000 1.023 341 E CA 1.149 57.546 56.400 -0.005 0.000 0.857 341 E CB -0.271 29.428 29.700 -0.001 0.000 0.775 341 E HN 0.473 nan 8.360 nan 0.000 0.525 342 E N 0.869 121.058 120.200 -0.018 0.000 2.042 342 E HA -0.066 4.284 4.350 -0.000 0.000 0.189 342 E C 2.186 178.765 176.600 -0.035 0.000 0.974 342 E CA 0.292 56.676 56.400 -0.028 0.000 0.806 342 E CB 0.017 29.697 29.700 -0.034 0.000 0.769 342 E HN 0.152 nan 8.360 nan 0.000 0.451 343 L N 1.457 122.656 121.223 -0.039 0.000 1.989 343 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 343 L C 2.466 179.316 176.870 -0.034 0.000 1.071 343 L CA 1.568 56.380 54.840 -0.046 0.000 0.749 343 L CB -1.696 40.335 42.059 -0.047 0.000 0.890 343 L HN 0.082 nan 8.230 nan 0.000 0.431 344 S N 0.179 115.866 115.700 -0.022 0.000 2.399 344 S HA -0.237 4.233 4.470 -0.000 0.000 0.235 344 S C 2.052 176.642 174.600 -0.018 0.000 1.063 344 S CA 1.586 59.777 58.200 -0.014 0.000 1.070 344 S CB -0.394 62.802 63.200 -0.007 0.000 0.904 344 S HN 0.360 nan 8.310 nan 0.000 0.456 345 L N 0.094 121.304 121.223 -0.022 0.000 2.127 345 L HA 0.069 4.409 4.340 -0.000 0.000 0.203 345 L C 2.271 179.122 176.870 -0.031 0.000 1.080 345 L CA 0.375 55.201 54.840 -0.023 0.000 0.768 345 L CB -0.487 41.559 42.059 -0.022 0.000 0.924 345 L HN 0.266 nan 8.230 nan 0.000 0.444 346 L N 1.055 122.254 121.223 -0.040 0.000 2.189 346 L HA -0.159 4.181 4.340 -0.000 0.000 0.214 346 L C 2.108 178.948 176.870 -0.051 0.000 1.097 346 L CA 1.900 56.709 54.840 -0.052 0.000 0.764 346 L CB -0.754 41.265 42.059 -0.066 0.000 0.900 346 L HN 0.151 nan 8.230 nan 0.000 0.436 347 A N -1.854 120.940 122.820 -0.042 0.000 2.327 347 A HA 0.101 4.420 4.320 -0.000 0.000 0.228 347 A C 1.868 179.436 177.584 -0.026 0.000 1.275 347 A CA 0.463 52.478 52.037 -0.036 0.000 0.875 347 A CB -0.260 18.723 19.000 -0.029 0.000 0.925 347 A HN 0.557 nan 8.150 nan 0.000 0.493 348 Q N -0.609 119.174 119.800 -0.027 0.000 2.462 348 Q HA 0.163 4.503 4.340 -0.000 0.000 0.224 348 Q C 1.431 177.416 176.000 -0.024 0.000 0.911 348 Q CA 0.641 56.431 55.803 -0.021 0.000 0.925 348 Q CB 0.166 28.892 28.738 -0.019 0.000 1.063 348 Q HN 0.532 nan 8.270 nan 0.000 0.572 349 N N 0.127 118.808 118.700 -0.030 0.000 2.521 349 N HA -0.046 4.694 4.740 -0.000 0.000 0.188 349 N C 0.640 176.129 175.510 -0.035 0.000 1.146 349 N CA 0.504 53.535 53.050 -0.032 0.000 0.893 349 N CB 0.397 38.861 38.487 -0.038 0.000 0.975 349 N HN 0.089 nan 8.380 nan 0.000 0.451 350 K N 0.201 120.581 120.400 -0.034 0.000 2.329 350 K HA 0.151 4.471 4.320 -0.000 0.000 0.198 350 K C 1.341 177.929 176.600 -0.020 0.000 1.085 350 K CA 0.265 56.532 56.287 -0.034 0.000 0.961 350 K CB 0.208 32.682 32.500 -0.044 0.000 0.971 350 K HN 0.205 nan 8.250 nan 0.000 0.502 351 Q N 0.532 120.323 119.800 -0.016 0.000 2.444 351 Q HA 0.092 4.432 4.340 -0.000 0.000 0.206 351 Q C 0.285 176.280 176.000 -0.009 0.000 0.948 351 Q CA 0.311 56.109 55.803 -0.008 0.000 0.946 351 Q CB 0.352 29.086 28.738 -0.007 0.000 1.027 351 Q HN 0.014 nan 8.270 nan 0.000 0.513 352 S N 0.156 115.848 115.700 -0.013 0.000 2.574 352 S HA 0.126 4.596 4.470 -0.000 0.000 0.242 352 S C -0.113 174.480 174.600 -0.012 0.000 0.982 352 S CA -0.288 57.905 58.200 -0.013 0.000 0.977 352 S CB 0.304 63.495 63.200 -0.015 0.000 0.814 352 S HN 0.301 nan 8.310 nan 0.000 0.464 353 S N 0.108 115.803 115.700 -0.010 0.000 2.688 353 S HA 0.603 5.073 4.470 -0.000 0.000 0.275 353 S C -1.187 173.412 174.600 -0.002 0.000 1.175 353 S CA -1.014 57.181 58.200 -0.008 0.000 0.818 353 S CB 0.970 64.161 63.200 -0.014 0.000 1.157 353 S HN -0.076 nan 8.310 nan 0.000 0.482 354 K N 0.714 121.114 120.400 -0.000 0.000 2.969 354 K HA 0.482 4.802 4.320 -0.000 0.000 0.222 354 K C -0.259 176.346 176.600 0.007 0.000 1.172 354 K CA -0.370 55.921 56.287 0.006 0.000 1.192 354 K CB -0.458 32.046 32.500 0.007 0.000 1.111 354 K HN 0.504 nan 8.250 nan 0.000 0.457 355 L N 0.795 122.020 121.223 0.003 0.000 2.483 355 L HA 0.191 4.531 4.340 -0.000 0.000 0.277 355 L C -0.021 176.856 176.870 0.013 0.000 1.248 355 L CA 0.220 55.060 54.840 0.000 0.000 0.825 355 L CB 0.399 42.452 42.059 -0.011 0.000 1.096 355 L HN 0.379 nan 8.230 nan 0.000 0.512 356 A N 3.058 125.885 122.820 0.013 0.000 2.304 356 A HA 0.626 4.946 4.320 -0.000 0.000 0.301 356 A C 0.731 178.338 177.584 0.039 0.000 1.132 356 A CA -0.104 51.950 52.037 0.028 0.000 0.819 356 A CB 0.617 19.634 19.000 0.027 0.000 1.094 356 A HN 1.142 nan 8.150 nan 0.000 0.492 357 A N 1.541 124.399 122.820 0.063 0.000 2.215 357 A HA 0.072 4.392 4.320 -0.000 0.000 0.208 357 A C 1.020 178.682 177.584 0.130 0.000 1.296 357 A CA 0.416 52.511 52.037 0.097 0.000 0.918 357 A CB -0.891 18.179 19.000 0.117 0.000 0.806 357 A HN 0.734 nan 8.150 nan 0.000 0.490 358 K N 0.308 120.757 120.400 0.082 0.000 2.405 358 K HA -0.090 4.230 4.320 -0.000 0.000 0.273 358 K C -0.864 175.796 176.600 0.100 0.000 1.116 358 K CA -0.122 56.219 56.287 0.090 0.000 1.155 358 K CB -0.009 32.512 32.500 0.036 0.000 0.858 358 K HN 0.499 nan 8.250 nan 0.000 0.477 359 W N 6.685 127.990 121.300 0.008 0.000 2.356 359 W HA 0.184 4.844 4.660 -0.000 0.000 0.311 359 W C -1.798 174.723 176.519 0.003 0.000 1.328 359 W CA -2.071 55.281 57.345 0.011 0.000 1.251 359 W CB 0.878 30.356 29.460 0.031 0.000 1.280 359 W HN 0.556 nan 8.180 nan 0.000 0.524 360 P HA -0.079 nan 4.420 nan 0.000 0.229 360 P C 0.927 178.168 177.300 -0.098 0.000 1.597 360 P CA 0.808 63.757 63.100 -0.251 0.000 1.030 360 P CB -0.066 31.380 31.700 -0.424 0.000 1.897 361 T N 0.679 115.296 114.554 0.105 0.000 2.555 361 T HA -0.208 4.142 4.350 -0.000 0.000 0.264 361 T C 1.678 176.410 174.700 0.054 0.000 1.083 361 T CA 1.461 63.661 62.100 0.166 0.000 1.179 361 T CB -0.288 68.668 68.868 0.146 0.000 0.863 361 T HN 0.208 nan 8.240 nan 0.000 0.412 362 K N 1.278 121.688 120.400 0.018 0.000 2.229 362 K HA -0.170 4.150 4.320 -0.000 0.000 0.211 362 K C 1.961 178.539 176.600 -0.037 0.000 1.044 362 K CA 1.148 57.428 56.287 -0.011 0.000 0.935 362 K CB -1.054 31.431 32.500 -0.024 0.000 0.732 362 K HN 0.198 nan 8.250 nan 0.000 0.478 363 L N -0.029 121.156 121.223 -0.064 0.000 1.956 363 L HA -0.184 4.156 4.340 -0.000 0.000 0.216 363 L C 2.356 179.177 176.870 -0.083 0.000 1.073 363 L CA 2.346 57.132 54.840 -0.090 0.000 0.762 363 L CB -1.476 40.505 42.059 -0.131 0.000 0.889 363 L HN 0.299 nan 8.230 nan 0.000 0.433 364 V N -3.344 116.520 119.914 -0.084 0.000 3.052 364 V HA -0.071 4.049 4.120 -0.000 0.000 0.254 364 V C 2.475 178.410 176.094 -0.264 0.000 1.100 364 V CA 0.981 63.169 62.300 -0.187 0.000 1.112 364 V CB -0.569 31.142 31.823 -0.187 0.000 0.738 364 V HN 0.381 nan 8.190 nan 0.000 0.469 365 K N 1.298 121.634 120.400 -0.107 0.000 2.117 365 K HA -0.322 3.998 4.320 -0.000 0.000 0.215 365 K C 1.856 178.427 176.600 -0.049 0.000 1.053 365 K CA 2.630 58.900 56.287 -0.029 0.000 0.935 365 K CB -0.285 32.223 32.500 0.014 0.000 0.719 365 K HN 0.598 nan 8.250 nan 0.000 0.460 366 N N -0.015 118.640 118.700 -0.075 0.000 2.463 366 N HA -0.050 4.690 4.740 -0.000 0.000 0.181 366 N C 1.605 177.045 175.510 -0.115 0.000 1.078 366 N CA 0.884 53.899 53.050 -0.058 0.000 0.902 366 N CB -0.313 38.164 38.487 -0.016 0.000 0.970 366 N HN 0.320 nan 8.380 nan 0.000 0.451 367 C N 0.137 119.294 119.300 -0.238 0.000 2.411 367 C HA -0.034 4.426 4.460 -0.000 0.000 0.279 367 C C 2.299 177.142 174.990 -0.246 0.000 1.288 367 C CA 0.230 59.073 59.018 -0.291 0.000 1.764 367 C CB -1.674 25.803 27.740 -0.439 0.000 1.974 367 C HN 0.383 nan 8.230 nan 0.000 0.498 368 F N 0.504 120.415 119.950 -0.066 0.000 2.604 368 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 368 F C 2.182 177.945 175.800 -0.061 0.000 1.131 368 F CA 0.106 58.069 58.000 -0.061 0.000 1.457 368 F CB -0.467 38.588 39.000 0.091 0.000 1.095 368 F HN 0.162 nan 8.300 nan 0.000 0.574 369 L N 0.540 121.754 121.223 -0.016 0.000 2.034 369 L HA -0.255 4.085 4.340 -0.000 0.000 0.217 369 L C -0.486 176.079 176.870 -0.507 0.000 1.077 369 L CA 1.904 56.577 54.840 -0.278 0.000 0.769 369 L CB -1.899 39.894 42.059 -0.444 0.000 0.890 369 L HN 0.046 nan 8.230 nan 0.000 0.435 370 P HA -0.210 nan 4.420 nan 0.000 0.217 370 P C 1.771 178.896 177.300 -0.291 0.000 1.148 370 P CA 1.371 64.218 63.100 -0.422 0.000 0.828 370 P CB -0.046 31.445 31.700 -0.349 0.000 0.783 371 L N -1.146 119.917 121.223 -0.265 0.000 2.131 371 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 371 L C 2.613 179.451 176.870 -0.054 0.000 1.092 371 L CA 1.246 55.906 54.840 -0.300 0.000 0.759 371 L CB -0.767 40.864 42.059 -0.713 0.000 0.903 371 L HN -0.068 nan 8.230 nan 0.000 0.435 372 R N 1.155 121.743 120.500 0.145 0.000 2.244 372 R HA -0.261 4.079 4.340 -0.000 0.000 0.252 372 R C 1.864 178.206 176.300 0.071 0.000 1.177 372 R CA 1.670 57.873 56.100 0.172 0.000 1.004 372 R CB -0.236 30.019 30.300 -0.076 0.000 0.873 372 R HN 0.317 nan 8.270 nan 0.000 0.469 373 E N -1.750 118.432 120.200 -0.031 0.000 2.481 373 E HA -0.043 4.307 4.350 -0.000 0.000 0.195 373 E C 0.517 177.040 176.600 -0.128 0.000 1.047 373 E CA 0.653 56.997 56.400 -0.094 0.000 0.867 373 E CB 0.138 29.765 29.700 -0.122 0.000 0.858 373 E HN 0.593 nan 8.360 nan 0.000 0.513 374 Y N -1.912 118.490 120.300 0.169 0.000 2.594 374 Y HA 0.268 4.818 4.550 -0.000 0.000 0.283 374 Y C 0.580 176.844 175.900 0.607 0.000 1.140 374 Y CA -0.407 57.904 58.100 0.352 0.000 1.261 374 Y CB 0.537 39.266 38.460 0.449 0.000 1.358 374 Y HN -0.135 nan 8.280 nan 0.000 0.513 375 F N 0.611 120.685 119.950 0.207 0.000 2.525 375 F HA 0.375 4.902 4.527 -0.000 0.000 0.346 375 F C 0.272 176.148 175.800 0.127 0.000 1.072 375 F CA -1.579 56.501 58.000 0.133 0.000 1.033 375 F CB 0.793 39.832 39.000 0.065 0.000 1.324 375 F HN -0.401 nan 8.300 nan 0.000 0.491 376 K N 0.654 121.224 120.400 0.283 0.000 2.350 376 K HA 0.062 4.382 4.320 -0.000 0.000 0.279 376 K C -1.452 175.113 176.600 -0.059 0.000 1.027 376 K CA -0.129 56.166 56.287 0.014 0.000 0.969 376 K CB 0.476 32.884 32.500 -0.154 0.000 0.954 376 K HN 0.467 nan 8.250 nan 0.000 0.474 377 Y N 4.269 124.374 120.300 -0.326 0.000 2.360 377 Y HA 0.377 4.927 4.550 -0.000 0.000 0.337 377 Y C -1.501 174.075 175.900 -0.541 0.000 1.039 377 Y CA -1.235 56.697 58.100 -0.279 0.000 1.109 377 Y CB 0.778 39.165 38.460 -0.122 0.000 1.201 377 Y HN 0.435 nan 8.280 nan 0.000 0.458 378 F N 4.260 123.812 119.950 -0.664 0.000 2.325 378 F HA 0.321 4.848 4.527 -0.000 0.000 0.369 378 F C 0.356 175.702 175.800 -0.758 0.000 1.095 378 F CA -1.001 56.678 58.000 -0.535 0.000 1.082 378 F CB 0.820 39.675 39.000 -0.242 0.000 1.289 378 F HN 0.502 nan 8.300 nan 0.000 0.462 379 S N 0.995 116.404 115.700 -0.485 0.000 2.558 379 S HA 0.210 4.680 4.470 -0.000 0.000 0.293 379 S C 0.324 174.856 174.600 -0.114 0.000 1.292 379 S CA -0.612 57.423 58.200 -0.275 0.000 1.063 379 S CB 0.538 63.694 63.200 -0.073 0.000 0.831 379 S HN 0.543 nan 8.310 nan 0.000 0.499 380 T N 0.000 114.518 114.554 -0.060 0.000 3.816 380 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 380 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 380 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 380 T HN 0.000 nan 8.240 nan 0.000 0.658