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 3cmq_1_A DATA FIRST_RESID 11 DATA SEQUENCE PGSVVELLGK SYPQDDHSNL TRKVLTRVGR NLHNQQHHPL WLIKERVKEH DATA SEQUENCE FYKQYVGRFG TPLFSVYDNL SPVVTTWQNF DSLLIPADHP SRKKGDNYYL DATA SEQUENCE NRTHMLRAHT SAHQWDLLHA GLDAFLVVGD VYRRDQIDSQ HYPIFHQLEA DATA SEQUENCE VRLFSKHELF AGIKDGESLQ LFEQSSRSAH KQETHTMEAV KLVEFDLKQT DATA SEQUENCE LTRLMAHLFG DELEIRWVDC YFPFTHPSFE MEINFHGEWL EVLGCGVMEQ DATA SEQUENCE QLVNSAGAQD RIGWAFGLGL ERLAMILYDI PDIRLFWCED ERFLKQFCVS DATA SEQUENCE NINQKVKFQP LSKYPAVIND ISFWLPSENY AENDFYDLVR TIGGDLVEKV DATA SEQUENCE DLIDKFVHPK THKTSHCYRI TYRHMERTLS QREVRHIHQA LQEAAVQLLG DATA SEQUENCE VEGRF 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 11 P HA 0.000 nan 4.420 nan 0.000 0.216 11 P C 0.000 177.310 177.300 0.017 0.000 1.155 11 P CA 0.000 63.109 63.100 0.016 0.000 0.800 11 P CB 0.000 31.707 31.700 0.012 0.000 0.726 12 G N -0.990 107.822 108.800 0.020 0.000 2.340 12 G HA2 0.431 4.349 3.960 -0.070 0.000 0.299 12 G HA3 0.431 4.349 3.960 -0.070 0.000 0.299 12 G C -0.264 174.650 174.900 0.025 0.000 1.291 12 G CA 0.423 45.536 45.100 0.021 0.000 0.841 12 G HN 0.567 nan 8.290 nan 0.000 0.500 13 S N -2.063 113.652 115.700 0.024 0.000 2.514 13 S HA 0.491 4.919 4.470 -0.070 0.000 0.223 13 S C 0.156 174.776 174.600 0.033 0.000 1.046 13 S CA 0.805 59.021 58.200 0.026 0.000 0.914 13 S CB 0.131 63.342 63.200 0.018 0.000 0.807 13 S HN 0.966 nan 8.310 nan 0.000 0.497 14 V N 1.688 121.623 119.914 0.034 0.000 2.808 14 V HA 0.557 4.635 4.120 -0.070 0.000 0.308 14 V C -1.088 175.039 176.094 0.055 0.000 1.099 14 V CA -0.798 61.528 62.300 0.044 0.000 0.920 14 V CB 1.997 33.834 31.823 0.023 0.000 1.014 14 V HN 0.042 nan 8.190 nan 0.000 0.425 15 V N 3.502 123.471 119.914 0.091 0.000 2.459 15 V HA 0.488 4.566 4.120 -0.070 0.000 0.295 15 V C -0.231 175.947 176.094 0.140 0.000 1.029 15 V CA -0.602 61.757 62.300 0.097 0.000 0.874 15 V CB 1.877 33.754 31.823 0.090 0.000 0.985 15 V HN 0.946 nan 8.190 nan 0.000 0.438 16 E N 4.554 124.808 120.200 0.090 0.000 2.151 16 E HA 0.656 4.964 4.350 -0.070 0.000 0.275 16 E C -1.266 175.390 176.600 0.093 0.000 0.936 16 E CA -0.746 55.705 56.400 0.085 0.000 0.777 16 E CB 2.475 32.196 29.700 0.035 0.000 1.108 16 E HN 0.359 nan 8.360 nan 0.000 0.401 17 L N 4.017 125.327 121.223 0.144 0.000 2.505 17 L HA 0.273 4.571 4.340 -0.070 0.000 0.266 17 L C -0.567 176.369 176.870 0.111 0.000 0.954 17 L CA -0.305 54.596 54.840 0.101 0.000 0.852 17 L CB 1.305 43.397 42.059 0.054 0.000 1.282 17 L HN 0.743 nan 8.230 nan 0.000 0.403 18 L N 6.069 127.328 121.223 0.060 0.000 3.678 18 L HA -0.266 4.032 4.340 -0.070 0.000 0.425 18 L C 1.215 178.113 176.870 0.047 0.000 1.240 18 L CA 0.884 55.756 54.840 0.055 0.000 0.876 18 L CB -1.944 40.152 42.059 0.062 0.000 1.766 18 L HN 1.193 nan 8.230 nan 0.000 0.917 19 G N -1.330 107.490 108.800 0.033 0.000 2.179 19 G HA2 -0.287 3.631 3.960 -0.070 0.000 0.260 19 G HA3 -0.287 3.631 3.960 -0.070 0.000 0.260 19 G C 0.328 175.216 174.900 -0.019 0.000 0.977 19 G CA 0.823 45.928 45.100 0.008 0.000 0.641 19 G HN 0.464 nan 8.290 nan 0.000 0.533 20 K N -0.053 120.338 120.400 -0.013 0.000 2.238 20 K HA 0.684 4.963 4.320 -0.070 0.000 0.239 20 K C -0.508 175.964 176.600 -0.213 0.000 0.987 20 K CA -0.313 55.882 56.287 -0.152 0.000 0.857 20 K CB 1.979 34.340 32.500 -0.232 0.000 1.154 20 K HN 0.133 nan 8.250 nan 0.000 0.439 21 S N 1.263 116.713 115.700 -0.416 0.000 2.473 21 S HA 0.534 4.962 4.470 -0.070 0.000 0.307 21 S C -1.671 172.590 174.600 -0.564 0.000 1.094 21 S CA -0.604 57.410 58.200 -0.310 0.000 1.070 21 S CB 0.323 63.421 63.200 -0.169 0.000 1.019 21 S HN 0.441 nan 8.310 nan 0.000 0.480 22 Y N 4.390 124.656 120.300 -0.056 0.000 2.338 22 Y HA 0.440 4.949 4.550 -0.070 0.000 0.333 22 Y C -2.175 173.717 175.900 -0.014 0.000 0.968 22 Y CA -2.106 55.963 58.100 -0.053 0.000 1.123 22 Y CB 1.866 40.290 38.460 -0.059 0.000 1.165 22 Y HN 0.512 nan 8.280 nan 0.000 0.452 23 P HA 0.055 nan 4.420 nan 0.000 0.271 23 P C -0.901 176.460 177.300 0.102 0.000 1.218 23 P CA -0.290 62.857 63.100 0.078 0.000 0.780 23 P CB 1.229 32.957 31.700 0.048 0.000 0.901 24 Q N 1.959 121.805 119.800 0.077 0.000 2.227 24 Q HA 0.410 4.708 4.340 -0.070 0.000 0.245 24 Q C 0.120 176.159 176.000 0.064 0.000 0.926 24 Q CA -0.000 55.849 55.803 0.077 0.000 0.895 24 Q CB 1.286 30.061 28.738 0.062 0.000 1.230 24 Q HN 0.591 nan 8.270 nan 0.000 0.450 25 D N -1.410 119.032 120.400 0.070 0.000 3.057 25 D HA 0.035 4.633 4.640 -0.070 0.000 0.328 25 D C 0.159 176.498 176.300 0.065 0.000 1.317 25 D CA -0.392 53.645 54.000 0.061 0.000 0.973 25 D CB -0.145 40.690 40.800 0.059 0.000 1.424 25 D HN 0.414 nan 8.370 nan 0.000 0.569 26 D N -1.060 119.382 120.400 0.069 0.000 2.311 26 D HA -0.203 4.395 4.640 -0.070 0.000 0.212 26 D C 0.933 177.241 176.300 0.013 0.000 0.972 26 D CA 1.294 55.321 54.000 0.045 0.000 0.887 26 D CB -0.257 40.574 40.800 0.052 0.000 0.915 26 D HN 0.376 nan 8.370 nan 0.000 0.497 27 H N 0.385 119.409 119.070 -0.076 0.000 2.486 27 H HA 0.190 4.704 4.556 -0.070 0.000 0.287 27 H C 0.548 175.868 175.328 -0.013 0.000 1.010 27 H CA 0.284 56.251 56.048 -0.135 0.000 1.324 27 H CB 0.155 29.740 29.762 -0.295 0.000 1.446 27 H HN -0.078 nan 8.280 nan 0.000 0.537 28 S N 2.111 117.898 115.700 0.146 0.000 2.784 28 S HA -0.079 4.349 4.470 -0.070 0.000 0.322 28 S C 0.637 175.303 174.600 0.110 0.000 1.234 28 S CA 0.697 58.979 58.200 0.137 0.000 1.064 28 S CB -0.205 63.055 63.200 0.099 0.000 0.787 28 S HN 0.691 nan 8.310 nan 0.000 0.506 29 N N 1.948 120.736 118.700 0.147 0.000 2.261 29 N HA 0.074 4.772 4.740 -0.070 0.000 0.241 29 N C -0.500 175.122 175.510 0.188 0.000 1.374 29 N CA -0.333 52.793 53.050 0.128 0.000 0.802 29 N CB -0.312 38.236 38.487 0.102 0.000 1.339 29 N HN 0.484 nan 8.380 nan 0.000 0.498 30 L N 1.964 123.283 121.223 0.160 0.000 2.426 30 L HA 0.313 4.611 4.340 -0.070 0.000 0.271 30 L C 0.237 177.134 176.870 0.045 0.000 1.169 30 L CA 0.203 55.112 54.840 0.114 0.000 0.836 30 L CB 0.858 42.913 42.059 -0.006 0.000 1.112 30 L HN 0.394 nan 8.230 nan 0.000 0.465 31 T N 0.996 115.542 114.554 -0.013 0.000 2.929 31 T HA 0.270 4.578 4.350 -0.070 0.000 0.284 31 T C 0.942 175.595 174.700 -0.077 0.000 1.014 31 T CA -0.791 61.294 62.100 -0.026 0.000 1.051 31 T CB 1.708 70.572 68.868 -0.007 0.000 1.028 31 T HN 0.710 nan 8.240 nan 0.000 0.485 32 R N 0.590 121.062 120.500 -0.047 0.000 2.096 32 R HA -0.125 4.174 4.340 -0.070 0.000 0.235 32 R C 2.070 178.332 176.300 -0.063 0.000 1.127 32 R CA 1.512 57.584 56.100 -0.046 0.000 0.968 32 R CB -0.289 29.998 30.300 -0.022 0.000 0.861 32 R HN 0.668 nan 8.270 nan 0.000 0.440 33 K N 0.262 120.619 120.400 -0.071 0.000 2.032 33 K HA -0.109 4.170 4.320 -0.070 0.000 0.209 33 K C 1.809 178.331 176.600 -0.130 0.000 1.048 33 K CA 1.883 58.119 56.287 -0.085 0.000 0.927 33 K CB -0.477 31.970 32.500 -0.088 0.000 0.712 33 K HN 0.069 nan 8.250 nan 0.000 0.441 34 V N 1.137 120.931 119.914 -0.201 0.000 2.343 34 V HA -0.208 3.870 4.120 -0.070 0.000 0.247 34 V C 2.300 178.285 176.094 -0.181 0.000 1.051 34 V CA 1.672 63.810 62.300 -0.271 0.000 1.036 34 V CB -0.606 30.873 31.823 -0.573 0.000 0.654 34 V HN 0.410 nan 8.190 nan 0.000 0.451 35 L N 1.299 122.423 121.223 -0.165 0.000 2.051 35 L HA -0.236 4.062 4.340 -0.070 0.000 0.214 35 L C 2.699 179.543 176.870 -0.045 0.000 1.076 35 L CA 2.944 57.718 54.840 -0.110 0.000 0.758 35 L CB -1.113 40.898 42.059 -0.080 0.000 0.890 35 L HN 0.602 nan 8.230 nan 0.000 0.433 36 T N -3.808 110.729 114.554 -0.028 0.000 2.977 36 T HA -0.177 4.131 4.350 -0.070 0.000 0.271 36 T C 1.911 176.646 174.700 0.058 0.000 1.105 36 T CA 1.271 63.381 62.100 0.016 0.000 1.116 36 T CB -0.339 68.538 68.868 0.017 0.000 0.878 36 T HN 0.263 nan 8.240 nan 0.000 0.509 37 R N 0.414 120.944 120.500 0.050 0.000 2.265 37 R HA 0.382 4.680 4.340 -0.070 0.000 0.194 37 R C 0.263 176.701 176.300 0.229 0.000 0.931 37 R CA -0.136 56.049 56.100 0.141 0.000 1.032 37 R CB -0.218 30.087 30.300 0.009 0.000 0.980 37 R HN 0.327 nan 8.270 nan 0.000 0.497 38 V N 0.643 120.644 119.914 0.146 0.000 2.529 38 V HA 0.265 4.343 4.120 -0.070 0.000 0.292 38 V C 1.407 177.586 176.094 0.142 0.000 1.028 38 V CA 1.188 63.576 62.300 0.147 0.000 1.074 38 V CB 0.642 32.448 31.823 -0.028 0.000 0.958 38 V HN 0.702 nan 8.190 nan 0.000 0.481 39 G N 4.767 113.676 108.800 0.181 0.000 2.213 39 G HA2 -0.290 3.629 3.960 -0.070 0.000 0.236 39 G HA3 -0.290 3.629 3.960 -0.070 0.000 0.236 39 G C 0.993 175.983 174.900 0.150 0.000 0.991 39 G CA 0.485 45.671 45.100 0.142 0.000 0.629 39 G HN 0.718 nan 8.290 nan 0.000 0.517 40 R N 1.289 121.914 120.500 0.208 0.000 2.096 40 R HA 0.005 4.303 4.340 -0.070 0.000 0.235 40 R C 1.306 177.681 176.300 0.126 0.000 1.127 40 R CA 1.444 57.662 56.100 0.197 0.000 0.968 40 R CB -0.641 29.867 30.300 0.348 0.000 0.861 40 R HN 0.445 nan 8.270 nan 0.000 0.440 41 N N 0.264 119.086 118.700 0.203 0.000 2.688 41 N HA -0.208 4.490 4.740 -0.070 0.000 0.258 41 N C 0.286 175.764 175.510 -0.054 0.000 1.016 41 N CA 1.045 54.187 53.050 0.153 0.000 0.747 41 N CB -1.391 37.077 38.487 -0.031 0.000 0.895 41 N HN 0.336 nan 8.380 nan 0.000 0.543 42 L N -0.074 121.083 121.223 -0.109 0.000 2.127 42 L HA -0.219 4.079 4.340 -0.070 0.000 0.211 42 L C 2.434 179.039 176.870 -0.441 0.000 1.089 42 L CA 1.536 56.048 54.840 -0.548 0.000 0.757 42 L CB -0.522 40.877 42.059 -1.100 0.000 0.899 42 L HN 0.591 nan 8.230 nan 0.000 0.434 43 H N -1.384 117.487 119.070 -0.332 0.000 2.545 43 H HA -0.026 4.488 4.556 -0.069 0.000 0.282 43 H C 0.820 176.210 175.328 0.105 0.000 1.020 43 H CA 0.791 56.764 56.048 -0.125 0.000 1.243 43 H CB -0.379 29.354 29.762 -0.048 0.000 1.377 43 H HN 0.369 nan 8.280 nan 0.000 0.581 44 N N 0.436 118.909 118.700 -0.379 0.000 2.187 44 N HA -0.013 4.685 4.740 -0.070 0.000 0.212 44 N C 0.023 175.446 175.510 -0.145 0.000 1.152 44 N CA -0.043 52.911 53.050 -0.160 0.000 0.872 44 N CB 0.916 39.210 38.487 -0.322 0.000 1.025 44 N HN 0.526 nan 8.380 nan 0.000 0.514 45 Q N 1.569 121.246 119.800 -0.205 0.000 2.337 45 Q HA 0.111 4.409 4.340 -0.070 0.000 0.255 45 Q C -0.180 175.445 176.000 -0.625 0.000 0.997 45 Q CA -0.338 55.283 55.803 -0.303 0.000 0.925 45 Q CB 0.685 29.297 28.738 -0.209 0.000 1.212 45 Q HN 0.143 nan 8.270 nan 0.000 0.436 46 Q N 3.240 122.466 119.800 -0.956 0.000 2.304 46 Q HA -0.181 4.117 4.340 -0.070 0.000 0.315 46 Q C -0.504 174.808 176.000 -1.147 0.000 1.075 46 Q CA 0.843 55.615 55.803 -1.717 0.000 0.988 46 Q CB 0.248 28.288 28.738 -1.163 0.000 1.146 46 Q HN 0.943 nan 8.270 nan 0.000 0.383 47 H N -0.084 118.321 119.070 -1.108 0.000 3.863 47 H HA -0.224 4.290 4.556 -0.070 0.000 0.160 47 H C -0.221 175.113 175.328 0.010 0.000 0.870 47 H CA 1.237 57.140 56.048 -0.241 0.000 1.247 47 H CB -1.491 28.157 29.762 -0.189 0.000 0.921 47 H HN 0.780 nan 8.280 nan 0.000 0.421 48 H N 4.175 123.237 119.070 -0.014 0.000 2.764 48 H HA 0.027 4.541 4.556 -0.070 0.000 0.341 48 H C -1.326 173.995 175.328 -0.012 0.000 1.072 48 H CA -0.670 55.363 56.048 -0.025 0.000 1.444 48 H CB 1.382 31.104 29.762 -0.066 0.000 1.458 48 H HN 0.056 nan 8.280 nan 0.000 0.572 49 P HA -0.197 nan 4.420 nan 0.000 0.217 49 P C 1.677 178.984 177.300 0.012 0.000 1.151 49 P CA 1.201 63.977 63.100 -0.539 0.000 0.849 49 P CB 0.342 31.341 31.700 -1.168 0.000 0.787 50 L N -2.690 118.648 121.223 0.192 0.000 2.109 50 L HA -0.045 4.253 4.340 -0.070 0.000 0.207 50 L C 2.797 179.740 176.870 0.123 0.000 1.086 50 L CA 1.188 56.064 54.840 0.060 0.000 0.760 50 L CB -1.005 40.955 42.059 -0.166 0.000 0.910 50 L HN 0.051 nan 8.230 nan 0.000 0.437 51 W N 0.963 122.273 121.300 0.016 0.000 2.358 51 W HA -0.232 4.387 4.660 -0.068 0.000 0.303 51 W C 2.236 178.763 176.519 0.014 0.000 1.208 51 W CA 1.137 58.476 57.345 -0.010 0.000 1.274 51 W CB -0.125 29.314 29.460 -0.034 0.000 1.138 51 W HN 0.008 nan 8.180 nan 0.000 0.515 52 L N 1.026 122.346 121.223 0.162 0.000 2.017 52 L HA -0.231 4.067 4.340 -0.070 0.000 0.208 52 L C 2.377 179.183 176.870 -0.106 0.000 1.073 52 L CA 1.913 56.729 54.840 -0.039 0.000 0.745 52 L CB -1.165 41.020 42.059 0.212 0.000 0.894 52 L HN 0.031 nan 8.230 nan 0.000 0.432 53 I N -0.117 120.454 120.570 0.002 0.000 2.127 53 I HA -0.341 3.787 4.170 -0.070 0.000 0.241 53 I C 2.512 178.595 176.117 -0.057 0.000 1.075 53 I CA 1.640 62.928 61.300 -0.020 0.000 1.334 53 I CB -1.230 36.765 38.000 -0.007 0.000 1.040 53 I HN 0.449 nan 8.210 nan 0.000 0.405 54 K N 0.832 121.182 120.400 -0.083 0.000 2.044 54 K HA -0.229 4.049 4.320 -0.070 0.000 0.210 54 K C 1.959 178.465 176.600 -0.156 0.000 1.049 54 K CA 1.577 57.814 56.287 -0.083 0.000 0.927 54 K CB 0.070 32.528 32.500 -0.070 0.000 0.713 54 K HN 0.215 nan 8.250 nan 0.000 0.443 55 E N 0.530 120.510 120.200 -0.366 0.000 2.072 55 E HA -0.141 4.167 4.350 -0.070 0.000 0.191 55 E C 2.109 178.620 176.600 -0.148 0.000 0.985 55 E CA 1.057 57.230 56.400 -0.378 0.000 0.801 55 E CB -0.075 29.166 29.700 -0.764 0.000 0.750 55 E HN 0.371 nan 8.360 nan 0.000 0.452 56 R N 0.325 120.773 120.500 -0.087 0.000 2.148 56 R HA -0.018 4.280 4.340 -0.070 0.000 0.227 56 R C 2.365 178.770 176.300 0.175 0.000 1.103 56 R CA 0.623 56.774 56.100 0.084 0.000 0.983 56 R CB -0.101 30.230 30.300 0.052 0.000 0.874 56 R HN 0.011 nan 8.270 nan 0.000 0.451 57 V N 1.214 121.199 119.914 0.119 0.000 2.407 57 V HA -0.187 3.891 4.120 -0.070 0.000 0.245 57 V C 2.028 178.299 176.094 0.294 0.000 1.041 57 V CA 1.571 63.999 62.300 0.214 0.000 1.040 57 V CB -0.274 31.678 31.823 0.216 0.000 0.671 57 V HN 0.238 nan 8.190 nan 0.000 0.455 58 K N 0.055 120.556 120.400 0.167 0.000 2.057 58 K HA -0.245 4.034 4.320 -0.070 0.000 0.207 58 K C 2.221 178.928 176.600 0.177 0.000 1.049 58 K CA 1.883 58.262 56.287 0.154 0.000 0.931 58 K CB -0.181 32.333 32.500 0.023 0.000 0.714 58 K HN 0.520 nan 8.250 nan 0.000 0.440 59 E N 0.174 120.444 120.200 0.116 0.000 2.077 59 E HA -0.268 4.040 4.350 -0.070 0.000 0.193 59 E C 2.022 178.655 176.600 0.056 0.000 0.989 59 E CA 1.295 57.770 56.400 0.125 0.000 0.800 59 E CB -0.025 29.740 29.700 0.109 0.000 0.746 59 E HN 0.348 nan 8.360 nan 0.000 0.452 60 H N -0.707 118.245 119.070 -0.197 0.000 2.319 60 H HA -0.150 4.362 4.556 -0.072 0.000 0.299 60 H C 1.602 176.751 175.328 -0.299 0.000 1.092 60 H CA 2.234 57.989 56.048 -0.488 0.000 1.302 60 H CB -0.360 29.001 29.762 -0.668 0.000 1.373 60 H HN 0.176 nan 8.280 nan 0.000 0.497 61 F N -0.898 118.972 119.950 -0.134 0.000 2.186 61 F HA -0.124 4.360 4.527 -0.073 0.000 0.299 61 F C 2.273 178.077 175.800 0.007 0.000 1.090 61 F CA 1.312 59.229 58.000 -0.139 0.000 1.307 61 F CB -0.742 38.161 39.000 -0.162 0.000 1.019 61 F HN 0.251 nan 8.300 nan 0.000 0.489 62 Y N 1.288 121.659 120.300 0.118 0.000 2.114 62 Y HA -0.216 4.293 4.550 -0.069 0.000 0.284 62 Y C 2.246 178.207 175.900 0.102 0.000 1.143 62 Y CA 1.695 59.877 58.100 0.137 0.000 1.135 62 Y CB -0.659 37.852 38.460 0.084 0.000 0.980 62 Y HN -0.092 nan 8.280 nan 0.000 0.499 63 K N -0.341 119.965 120.400 -0.157 0.000 2.044 63 K HA -0.245 4.033 4.320 -0.070 0.000 0.210 63 K C 2.078 178.512 176.600 -0.277 0.000 1.049 63 K CA 1.788 57.910 56.287 -0.274 0.000 0.927 63 K CB -0.198 32.197 32.500 -0.176 0.000 0.713 63 K HN 0.366 nan 8.250 nan 0.000 0.443 64 Q N -0.302 119.324 119.800 -0.290 0.000 2.170 64 Q HA -0.185 4.113 4.340 -0.070 0.000 0.203 64 Q C 1.959 177.913 176.000 -0.077 0.000 0.976 64 Q CA 1.367 57.039 55.803 -0.219 0.000 0.858 64 Q CB -0.368 28.187 28.738 -0.305 0.000 0.907 64 Q HN 0.475 nan 8.270 nan 0.000 0.433 65 Y N 0.689 120.915 120.300 -0.124 0.000 2.200 65 Y HA -0.152 4.355 4.550 -0.072 0.000 0.290 65 Y C 2.029 177.845 175.900 -0.140 0.000 1.137 65 Y CA 1.074 59.130 58.100 -0.074 0.000 1.163 65 Y CB -0.163 38.292 38.460 -0.007 0.000 0.988 65 Y HN -0.149 nan 8.280 nan 0.000 0.518 66 V N 0.083 119.704 119.914 -0.489 0.000 2.871 66 V HA -0.091 3.987 4.120 -0.070 0.000 0.256 66 V C 2.386 178.293 176.094 -0.313 0.000 1.082 66 V CA 1.621 63.613 62.300 -0.512 0.000 1.105 66 V CB -0.959 30.569 31.823 -0.491 0.000 0.713 66 V HN 0.619 nan 8.190 nan 0.000 0.473 67 G N 0.211 108.868 108.800 -0.238 0.000 2.492 67 G HA2 -0.002 3.916 3.960 -0.070 0.000 0.214 67 G HA3 -0.002 3.916 3.960 -0.070 0.000 0.214 67 G C 0.813 175.660 174.900 -0.088 0.000 1.147 67 G CA -0.214 44.801 45.100 -0.141 0.000 0.809 67 G HN 0.449 nan 8.290 nan 0.000 0.533 68 R N -0.523 119.926 120.500 -0.085 0.000 2.480 68 R HA 0.377 4.675 4.340 -0.070 0.000 0.306 68 R C 0.070 176.368 176.300 -0.004 0.000 0.958 68 R CA -0.889 55.206 56.100 -0.008 0.000 0.861 68 R CB 1.639 31.949 30.300 0.018 0.000 1.171 68 R HN 0.063 nan 8.270 nan 0.000 0.445 69 F N 2.693 122.601 119.950 -0.070 0.000 2.161 69 F HA -0.105 4.380 4.527 -0.071 0.000 0.300 69 F C 1.896 177.688 175.800 -0.013 0.000 1.089 69 F CA 2.269 60.230 58.000 -0.066 0.000 1.282 69 F CB -0.230 38.747 39.000 -0.038 0.000 1.010 69 F HN 0.737 nan 8.300 nan 0.000 0.485 70 G N -0.758 108.007 108.800 -0.058 0.000 2.418 70 G HA2 -0.194 3.724 3.960 -0.070 0.000 0.217 70 G HA3 -0.194 3.724 3.960 -0.070 0.000 0.217 70 G C 0.755 175.595 174.900 -0.100 0.000 1.158 70 G CA 0.944 45.986 45.100 -0.095 0.000 0.771 70 G HN 0.337 nan 8.290 nan 0.000 0.545 71 T N 3.816 118.362 114.554 -0.014 0.000 2.831 71 T HA 0.295 4.603 4.350 -0.070 0.000 0.291 71 T C -1.902 172.860 174.700 0.104 0.000 0.981 71 T CA -0.558 61.596 62.100 0.090 0.000 1.174 71 T CB 1.483 70.440 68.868 0.147 0.000 0.929 71 T HN 0.177 nan 8.240 nan 0.000 0.532 72 P HA 0.287 nan 4.420 nan 0.000 0.276 72 P C -0.585 176.700 177.300 -0.025 0.000 1.252 72 P CA -0.894 62.148 63.100 -0.096 0.000 0.802 72 P CB 0.776 32.233 31.700 -0.406 0.000 1.035 73 L N 1.752 122.819 121.223 -0.261 0.000 2.281 73 L HA 0.361 4.659 4.340 -0.070 0.000 0.285 73 L C -0.765 175.918 176.870 -0.311 0.000 1.074 73 L CA -0.276 54.263 54.840 -0.501 0.000 0.817 73 L CB -0.868 40.686 42.059 -0.842 0.000 1.168 73 L HN 0.108 nan 8.230 nan 0.000 0.434 74 F N 3.640 123.471 119.950 -0.198 0.000 2.424 74 F HA 0.335 4.818 4.527 -0.074 0.000 0.356 74 F C 1.012 176.712 175.800 -0.167 0.000 1.110 74 F CA 0.013 57.902 58.000 -0.184 0.000 1.161 74 F CB 0.983 39.823 39.000 -0.266 0.000 1.115 74 F HN 0.478 nan 8.300 nan 0.000 0.507 75 S N 2.774 118.472 115.700 -0.003 0.000 2.537 75 S HA 0.486 4.914 4.470 -0.070 0.000 0.275 75 S C -0.303 174.184 174.600 -0.188 0.000 1.272 75 S CA -0.764 57.359 58.200 -0.127 0.000 1.050 75 S CB 1.283 64.411 63.200 -0.119 0.000 0.961 75 S HN 0.295 nan 8.310 nan 0.000 0.496 76 V N 3.918 123.612 119.914 -0.368 0.000 2.435 76 V HA 0.385 4.463 4.120 -0.070 0.000 0.290 76 V C -1.319 174.416 176.094 -0.598 0.000 1.030 76 V CA -0.627 61.483 62.300 -0.317 0.000 0.881 76 V CB 0.641 32.368 31.823 -0.160 0.000 0.983 76 V HN 0.816 nan 8.190 nan 0.000 0.445 77 Y N 2.943 123.245 120.300 0.003 0.000 2.447 77 Y HA 0.408 4.915 4.550 -0.071 0.000 0.325 77 Y C 0.291 176.193 175.900 0.003 0.000 0.976 77 Y CA -1.267 56.816 58.100 -0.028 0.000 1.280 77 Y CB 1.227 39.632 38.460 -0.092 0.000 1.104 77 Y HN 0.822 nan 8.280 nan 0.000 0.486 78 D N -1.138 119.337 120.400 0.125 0.000 2.501 78 D HA 0.103 4.701 4.640 -0.070 0.000 0.224 78 D C 0.161 176.612 176.300 0.253 0.000 1.202 78 D CA -0.033 54.089 54.000 0.204 0.000 0.829 78 D CB 0.143 41.071 40.800 0.213 0.000 1.023 78 D HN 0.347 nan 8.370 nan 0.000 0.499 79 N N 0.298 119.091 118.700 0.156 0.000 2.588 79 N HA 0.196 4.894 4.740 -0.070 0.000 0.298 79 N C -1.216 174.339 175.510 0.075 0.000 1.718 79 N CA -0.280 52.846 53.050 0.127 0.000 0.888 79 N CB 0.256 38.789 38.487 0.077 0.000 1.389 79 N HN 0.060 nan 8.380 nan 0.000 0.491 80 L N 0.436 121.674 121.223 0.025 0.000 2.326 80 L HA 0.395 4.693 4.340 -0.070 0.000 0.278 80 L C 0.819 177.696 176.870 0.011 0.000 1.092 80 L CA -0.752 54.041 54.840 -0.080 0.000 0.810 80 L CB 1.363 43.178 42.059 -0.406 0.000 1.153 80 L HN 0.158 nan 8.230 nan 0.000 0.439 81 S N 4.080 119.806 115.700 0.044 0.000 2.552 81 S HA 0.112 4.540 4.470 -0.070 0.000 0.289 81 S C -1.153 173.528 174.600 0.134 0.000 1.304 81 S CA -1.005 57.249 58.200 0.090 0.000 1.063 81 S CB 0.655 63.907 63.200 0.087 0.000 0.848 81 S HN 0.501 nan 8.310 nan 0.000 0.499 82 P HA 0.044 nan 4.420 nan 0.000 0.237 82 P C -0.049 177.269 177.300 0.030 0.000 1.178 82 P CA 0.213 63.387 63.100 0.124 0.000 0.766 82 P CB -0.021 31.779 31.700 0.167 0.000 0.876 83 V N 2.662 122.588 119.914 0.021 0.000 2.427 83 V HA 0.166 4.244 4.120 -0.070 0.000 0.268 83 V C 0.806 176.952 176.094 0.086 0.000 1.046 83 V CA -0.120 62.175 62.300 -0.008 0.000 0.970 83 V CB 0.963 32.770 31.823 -0.025 0.000 1.001 83 V HN -0.006 nan 8.190 nan 0.000 0.476 84 V N 2.174 122.120 119.914 0.054 0.000 3.167 84 V HA 0.851 4.929 4.120 -0.070 0.000 0.310 84 V C -0.038 176.066 176.094 0.017 0.000 1.207 84 V CA -0.588 61.743 62.300 0.052 0.000 1.059 84 V CB 2.122 33.899 31.823 -0.076 0.000 1.079 84 V HN 0.759 nan 8.190 nan 0.000 0.446 85 T N -1.761 112.768 114.554 -0.042 0.000 2.902 85 T HA 0.366 4.674 4.350 -0.070 0.000 0.280 85 T C 1.304 175.984 174.700 -0.032 0.000 0.992 85 T CA 0.363 62.374 62.100 -0.149 0.000 1.015 85 T CB 1.045 69.839 68.868 -0.124 0.000 1.044 85 T HN 1.377 nan 8.240 nan 0.000 0.520 86 T N -2.220 112.361 114.554 0.044 0.000 2.833 86 T HA -0.155 4.153 4.350 -0.070 0.000 0.269 86 T C 1.461 176.253 174.700 0.154 0.000 1.054 86 T CA 0.958 63.180 62.100 0.202 0.000 1.135 86 T CB -0.863 68.185 68.868 0.300 0.000 0.869 86 T HN 0.764 nan 8.240 nan 0.000 0.466 87 W N 2.000 123.268 121.300 -0.053 0.000 2.358 87 W HA -0.042 4.577 4.660 -0.068 0.000 0.303 87 W C 2.514 178.933 176.519 -0.167 0.000 1.208 87 W CA 1.227 58.506 57.345 -0.111 0.000 1.274 87 W CB -0.204 29.144 29.460 -0.186 0.000 1.138 87 W HN 0.267 nan 8.180 nan 0.000 0.515 88 Q N -0.471 119.332 119.800 0.005 0.000 2.016 88 Q HA -0.239 4.059 4.340 -0.070 0.000 0.200 88 Q C 2.235 178.028 176.000 -0.346 0.000 0.978 88 Q CA 1.591 57.296 55.803 -0.163 0.000 0.833 88 Q CB -0.804 27.907 28.738 -0.045 0.000 0.895 88 Q HN 0.326 nan 8.270 nan 0.000 0.427 89 N N -0.738 117.764 118.700 -0.330 0.000 2.244 89 N HA -0.110 4.588 4.740 -0.070 0.000 0.183 89 N C 0.854 176.022 175.510 -0.570 0.000 1.016 89 N CA 1.167 53.927 53.050 -0.483 0.000 0.866 89 N CB 0.244 38.325 38.487 -0.676 0.000 0.980 89 N HN 0.094 nan 8.380 nan 0.000 0.430 90 F N 0.523 120.366 119.950 -0.179 0.000 2.495 90 F HA 0.250 4.734 4.527 -0.071 0.000 0.271 90 F C 2.197 177.824 175.800 -0.288 0.000 0.889 90 F CA -0.099 57.803 58.000 -0.164 0.000 1.129 90 F CB -0.677 38.282 39.000 -0.068 0.000 1.169 90 F HN -0.179 nan 8.300 nan 0.000 0.781 91 D N 0.558 120.840 120.400 -0.198 0.000 2.104 91 D HA -0.169 4.429 4.640 -0.070 0.000 0.194 91 D C 2.224 178.104 176.300 -0.700 0.000 0.994 91 D CA 2.139 55.884 54.000 -0.424 0.000 0.830 91 D CB -0.625 39.889 40.800 -0.476 0.000 0.959 91 D HN 0.303 nan 8.370 nan 0.000 0.452 92 S N 0.565 115.491 115.700 -1.291 0.000 2.440 92 S HA -0.117 4.312 4.470 -0.070 0.000 0.238 92 S C 1.919 176.242 174.600 -0.461 0.000 1.010 92 S CA 0.595 58.062 58.200 -1.221 0.000 0.972 92 S CB -0.475 61.792 63.200 -1.555 0.000 0.774 92 S HN 0.258 nan 8.310 nan 0.000 0.501 93 L N 0.974 121.991 121.223 -0.343 0.000 2.653 93 L HA 0.432 4.730 4.340 -0.070 0.000 0.231 93 L C 0.211 177.117 176.870 0.060 0.000 1.153 93 L CA -0.167 54.595 54.840 -0.130 0.000 0.933 93 L CB -0.376 41.498 42.059 -0.308 0.000 1.175 93 L HN 0.249 nan 8.230 nan 0.000 0.473 94 L N -0.739 120.472 121.223 -0.021 0.000 4.232 94 L HA -0.238 4.060 4.340 -0.070 0.000 0.415 94 L C 0.193 177.102 176.870 0.065 0.000 1.168 94 L CA 0.321 55.181 54.840 0.032 0.000 0.966 94 L CB -2.042 40.062 42.059 0.075 0.000 2.052 94 L HN 0.223 nan 8.230 nan 0.000 0.887 95 I N 1.802 122.415 120.570 0.071 0.000 2.379 95 I HA 0.195 4.323 4.170 -0.070 0.000 0.290 95 I C -1.385 174.757 176.117 0.041 0.000 1.063 95 I CA -1.596 59.740 61.300 0.061 0.000 1.351 95 I CB 0.452 38.551 38.000 0.166 0.000 1.410 95 I HN -0.176 nan 8.210 nan 0.000 0.505 96 P HA -0.119 nan 4.420 nan 0.000 0.266 96 P C 0.475 177.801 177.300 0.043 0.000 1.180 96 P CA 0.178 63.322 63.100 0.073 0.000 0.765 96 P CB 0.715 32.492 31.700 0.128 0.000 0.806 97 A N 2.973 125.803 122.820 0.016 0.000 2.019 97 A HA -0.175 4.103 4.320 -0.070 0.000 0.219 97 A C 1.366 178.938 177.584 -0.019 0.000 1.164 97 A CA 1.942 53.969 52.037 -0.016 0.000 0.644 97 A CB -0.910 18.086 19.000 -0.007 0.000 0.805 97 A HN 0.662 nan 8.150 nan 0.000 0.449 98 D N -1.888 118.519 120.400 0.011 0.000 2.368 98 D HA 0.069 4.667 4.640 -0.070 0.000 0.218 98 D C 0.308 176.613 176.300 0.009 0.000 1.112 98 D CA -0.442 53.558 54.000 -0.000 0.000 0.834 98 D CB -1.051 39.747 40.800 -0.003 0.000 0.953 98 D HN 0.496 nan 8.370 nan 0.000 0.505 99 H N 1.872 120.914 119.070 -0.045 0.000 2.886 99 H HA 0.106 4.620 4.556 -0.070 0.000 0.329 99 H C -1.134 174.177 175.328 -0.029 0.000 1.044 99 H CA -0.928 55.111 56.048 -0.015 0.000 1.456 99 H CB 1.277 31.050 29.762 0.019 0.000 1.464 99 H HN -0.170 nan 8.280 nan 0.000 0.573 100 P HA -0.193 nan 4.420 nan 0.000 0.221 100 P C 1.069 178.362 177.300 -0.011 0.000 1.145 100 P CA 1.474 64.470 63.100 -0.173 0.000 0.795 100 P CB 0.146 31.722 31.700 -0.207 0.000 0.775 101 S N -0.495 115.304 115.700 0.166 0.000 2.547 101 S HA -0.041 4.387 4.470 -0.070 0.000 0.235 101 S C 1.858 176.587 174.600 0.216 0.000 0.980 101 S CA 0.368 58.754 58.200 0.310 0.000 0.941 101 S CB -0.794 62.741 63.200 0.558 0.000 0.763 101 S HN 0.187 nan 8.310 nan 0.000 0.532 102 R N 0.745 121.224 120.500 -0.035 0.000 2.280 102 R HA 0.247 4.545 4.340 -0.070 0.000 0.195 102 R C 0.157 176.510 176.300 0.089 0.000 0.935 102 R CA -0.054 55.907 56.100 -0.231 0.000 1.033 102 R CB 0.086 30.086 30.300 -0.500 0.000 0.964 102 R HN 0.372 nan 8.270 nan 0.000 0.489 103 K N 1.470 121.910 120.400 0.067 0.000 2.550 103 K HA -0.114 4.164 4.320 -0.070 0.000 0.280 103 K C 0.721 177.413 176.600 0.153 0.000 0.987 103 K CA 0.521 56.847 56.287 0.064 0.000 1.048 103 K CB 0.490 33.006 32.500 0.026 0.000 0.879 103 K HN 0.040 nan 8.250 nan 0.000 0.491 104 K N 1.423 121.871 120.400 0.079 0.000 2.209 104 K HA -0.145 4.133 4.320 -0.070 0.000 0.204 104 K C 1.962 178.594 176.600 0.053 0.000 1.048 104 K CA 1.372 57.726 56.287 0.113 0.000 0.940 104 K CB -0.077 32.342 32.500 -0.134 0.000 0.729 104 K HN 0.832 nan 8.250 nan 0.000 0.451 105 G N 1.118 109.919 108.800 0.001 0.000 2.509 105 G HA2 -0.188 3.730 3.960 -0.070 0.000 0.218 105 G HA3 -0.188 3.730 3.960 -0.070 0.000 0.218 105 G C 0.803 175.679 174.900 -0.039 0.000 1.124 105 G CA 0.739 45.820 45.100 -0.031 0.000 0.776 105 G HN 0.214 nan 8.290 nan 0.000 0.547 106 D N -0.459 119.934 120.400 -0.011 0.000 2.433 106 D HA 0.106 4.704 4.640 -0.070 0.000 0.211 106 D C 0.311 176.552 176.300 -0.098 0.000 1.114 106 D CA -0.014 53.970 54.000 -0.027 0.000 0.837 106 D CB 0.574 41.403 40.800 0.047 0.000 0.984 106 D HN 0.187 nan 8.370 nan 0.000 0.505 107 N N 0.129 118.750 118.700 -0.132 0.000 2.380 107 N HA 0.211 4.910 4.740 -0.070 0.000 0.290 107 N C -1.206 174.104 175.510 -0.333 0.000 1.236 107 N CA -0.453 52.448 53.050 -0.249 0.000 0.780 107 N CB 1.579 39.860 38.487 -0.342 0.000 1.438 107 N HN -0.154 nan 8.380 nan 0.000 0.491 108 Y N 1.079 121.303 120.300 -0.127 0.000 2.595 108 Y HA 0.310 4.818 4.550 -0.070 0.000 0.336 108 Y C -0.547 175.279 175.900 -0.123 0.000 0.996 108 Y CA -0.464 57.590 58.100 -0.077 0.000 1.260 108 Y CB -0.080 38.323 38.460 -0.095 0.000 1.108 108 Y HN 0.357 nan 8.280 nan 0.000 0.509 109 Y N 2.587 122.967 120.300 0.133 0.000 2.313 109 Y HA 0.153 4.661 4.550 -0.070 0.000 0.332 109 Y C 0.713 176.653 175.900 0.067 0.000 1.071 109 Y CA -0.532 57.634 58.100 0.110 0.000 1.169 109 Y CB 1.041 39.604 38.460 0.171 0.000 1.192 109 Y HN 0.483 nan 8.280 nan 0.000 0.487 110 L N 2.454 123.775 121.223 0.164 0.000 2.179 110 L HA -0.055 4.243 4.340 -0.070 0.000 0.208 110 L C 0.463 177.415 176.870 0.136 0.000 1.096 110 L CA 1.055 55.920 54.840 0.041 0.000 0.779 110 L CB -0.725 41.209 42.059 -0.207 0.000 0.922 110 L HN 0.829 nan 8.230 nan 0.000 0.443 111 N N -3.381 115.444 118.700 0.208 0.000 3.622 111 N HA 0.144 4.843 4.740 -0.070 0.000 0.352 111 N C 0.538 176.117 175.510 0.115 0.000 1.559 111 N CA -0.702 52.450 53.050 0.170 0.000 0.801 111 N CB 0.208 38.791 38.487 0.159 0.000 2.399 111 N HN -0.311 nan 8.380 nan 0.000 0.545 112 R N -1.127 119.337 120.500 -0.060 0.000 2.153 112 R HA 0.066 4.364 4.340 -0.070 0.000 0.218 112 R C 0.967 177.189 176.300 -0.130 0.000 1.072 112 R CA 1.868 57.764 56.100 -0.340 0.000 0.990 112 R CB -0.211 29.876 30.300 -0.356 0.000 0.889 112 R HN 0.828 nan 8.270 nan 0.000 0.452 113 T N -3.458 111.107 114.554 0.020 0.000 3.000 113 T HA 0.100 4.408 4.350 -0.070 0.000 0.248 113 T C 0.316 174.933 174.700 -0.138 0.000 1.034 113 T CA -0.023 62.059 62.100 -0.030 0.000 1.060 113 T CB 0.141 68.989 68.868 -0.032 0.000 0.983 113 T HN 0.061 nan 8.240 nan 0.000 0.482 114 H N 1.264 120.407 119.070 0.123 0.000 2.621 114 H HA 0.790 5.304 4.556 -0.070 0.000 0.360 114 H C -0.108 175.246 175.328 0.043 0.000 1.163 114 H CA -0.885 55.200 56.048 0.062 0.000 1.194 114 H CB 1.755 31.517 29.762 -0.001 0.000 1.649 114 H HN 0.471 nan 8.280 nan 0.000 0.532 115 M N 0.279 119.913 119.600 0.056 0.000 2.773 115 M HA 0.428 4.866 4.480 -0.070 0.000 0.270 115 M C -1.878 174.340 176.300 -0.137 0.000 1.238 115 M CA -0.986 54.276 55.300 -0.062 0.000 0.832 115 M CB 1.852 34.341 32.600 -0.185 0.000 1.672 115 M HN 0.305 nan 8.290 nan 0.000 0.480 116 L N 2.929 124.044 121.223 -0.181 0.000 2.290 116 L HA 0.467 4.765 4.340 -0.070 0.000 0.284 116 L C 0.445 177.249 176.870 -0.109 0.000 1.078 116 L CA -0.754 53.949 54.840 -0.228 0.000 0.815 116 L CB 0.938 42.705 42.059 -0.486 0.000 1.162 116 L HN 0.751 nan 8.230 nan 0.000 0.435 117 R N 2.819 123.280 120.500 -0.065 0.000 2.583 117 R HA 0.052 4.350 4.340 -0.070 0.000 0.274 117 R C 0.565 176.834 176.300 -0.051 0.000 0.998 117 R CA 0.400 56.446 56.100 -0.090 0.000 1.081 117 R CB 0.343 30.596 30.300 -0.078 0.000 0.940 117 R HN 0.714 nan 8.270 nan 0.000 0.413 118 A N 2.659 125.388 122.820 -0.153 0.000 2.178 118 A HA 0.063 4.341 4.320 -0.070 0.000 0.211 118 A C -0.107 177.414 177.584 -0.105 0.000 1.157 118 A CA 0.637 52.575 52.037 -0.166 0.000 0.780 118 A CB -0.424 18.400 19.000 -0.293 0.000 0.828 118 A HN 0.995 nan 8.150 nan 0.000 0.476 119 H N -4.485 114.469 119.070 -0.193 0.000 3.037 119 H HA 0.307 4.821 4.556 -0.070 0.000 0.336 119 H C 0.225 175.450 175.328 -0.172 0.000 1.323 119 H CA -0.467 55.488 56.048 -0.153 0.000 1.159 119 H CB -0.433 29.277 29.762 -0.087 0.000 1.882 119 H HN -0.011 nan 8.280 nan 0.000 0.535 120 T N -1.846 112.669 114.554 -0.065 0.000 3.113 120 T HA -0.030 4.278 4.350 -0.070 0.000 0.263 120 T C 1.161 175.721 174.700 -0.233 0.000 1.143 120 T CA 0.948 63.006 62.100 -0.069 0.000 1.090 120 T CB -0.438 68.446 68.868 0.026 0.000 0.922 120 T HN 0.432 nan 8.240 nan 0.000 0.521 121 S N 1.534 116.872 115.700 -0.603 0.000 2.507 121 S HA 0.177 4.605 4.470 -0.070 0.000 0.235 121 S C 2.387 176.565 174.600 -0.703 0.000 0.988 121 S CA 0.555 58.301 58.200 -0.757 0.000 0.944 121 S CB -0.517 61.904 63.200 -1.298 0.000 0.762 121 S HN 0.775 nan 8.310 nan 0.000 0.526 122 A N 0.972 123.369 122.820 -0.705 0.000 2.125 122 A HA -0.132 4.146 4.320 -0.070 0.000 0.219 122 A C 1.450 178.712 177.584 -0.537 0.000 1.156 122 A CA 1.118 52.802 52.037 -0.588 0.000 0.671 122 A CB -0.446 18.207 19.000 -0.578 0.000 0.794 122 A HN 0.561 nan 8.150 nan 0.000 0.459 123 H N -1.326 117.664 119.070 -0.133 0.000 2.652 123 H HA 0.147 4.661 4.556 -0.070 0.000 0.274 123 H C 1.634 176.945 175.328 -0.029 0.000 1.021 123 H CA 0.325 56.333 56.048 -0.068 0.000 1.187 123 H CB 0.071 29.783 29.762 -0.083 0.000 1.505 123 H HN 0.670 nan 8.280 nan 0.000 0.530 124 Q N 0.053 119.895 119.800 0.070 0.000 2.002 124 Q HA -0.211 4.087 4.340 -0.070 0.000 0.204 124 Q C 1.947 178.047 176.000 0.168 0.000 0.988 124 Q CA 1.823 57.726 55.803 0.168 0.000 0.843 124 Q CB -0.126 28.642 28.738 0.050 0.000 0.908 124 Q HN 0.448 nan 8.270 nan 0.000 0.420 125 W N 2.045 123.328 121.300 -0.029 0.000 2.333 125 W HA -0.239 4.378 4.660 -0.071 0.000 0.316 125 W C 1.662 178.209 176.519 0.047 0.000 1.215 125 W CA 1.817 59.170 57.345 0.012 0.000 1.278 125 W CB -0.182 29.264 29.460 -0.023 0.000 1.154 125 W HN 0.184 nan 8.180 nan 0.000 0.486 126 D N 0.079 120.685 120.400 0.344 0.000 2.104 126 D HA -0.218 4.380 4.640 -0.070 0.000 0.194 126 D C 2.263 178.484 176.300 -0.132 0.000 0.994 126 D CA 2.057 56.166 54.000 0.182 0.000 0.830 126 D CB -0.810 40.116 40.800 0.210 0.000 0.959 126 D HN 0.266 nan 8.370 nan 0.000 0.452 127 L N 0.196 121.236 121.223 -0.304 0.000 2.093 127 L HA -0.159 4.139 4.340 -0.070 0.000 0.208 127 L C 2.432 179.010 176.870 -0.486 0.000 1.085 127 L CA 0.249 54.694 54.840 -0.658 0.000 0.755 127 L CB -0.211 41.001 42.059 -1.411 0.000 0.904 127 L HN 0.044 nan 8.230 nan 0.000 0.435 128 L N -0.490 120.580 121.223 -0.256 0.000 2.056 128 L HA -0.235 4.063 4.340 -0.070 0.000 0.207 128 L C 2.575 179.308 176.870 -0.228 0.000 1.078 128 L CA 1.807 56.575 54.840 -0.121 0.000 0.749 128 L CB -0.948 41.058 42.059 -0.088 0.000 0.901 128 L HN 0.246 nan 8.230 nan 0.000 0.433 129 H N -0.574 118.187 119.070 -0.514 0.000 2.456 129 H HA -0.030 4.484 4.556 -0.071 0.000 0.296 129 H C 1.843 176.974 175.328 -0.329 0.000 1.079 129 H CA 1.207 56.911 56.048 -0.573 0.000 1.322 129 H CB 0.168 29.387 29.762 -0.906 0.000 1.388 129 H HN 0.314 nan 8.280 nan 0.000 0.538 130 A N -0.994 121.660 122.820 -0.276 0.000 2.238 130 A HA 0.326 4.604 4.320 -0.070 0.000 0.208 130 A C 1.990 179.442 177.584 -0.219 0.000 1.177 130 A CA 0.827 52.707 52.037 -0.262 0.000 0.804 130 A CB -0.696 18.157 19.000 -0.246 0.000 0.823 130 A HN 0.689 nan 8.150 nan 0.000 0.482 131 G N -1.296 107.382 108.800 -0.204 0.000 2.176 131 G HA2 -0.210 3.708 3.960 -0.070 0.000 0.253 131 G HA3 -0.210 3.708 3.960 -0.070 0.000 0.253 131 G C 0.109 174.944 174.900 -0.108 0.000 0.979 131 G CA 0.183 45.195 45.100 -0.146 0.000 0.641 131 G HN 0.432 nan 8.290 nan 0.000 0.530 132 L N 0.722 121.884 121.223 -0.102 0.000 2.416 132 L HA 0.320 4.618 4.340 -0.070 0.000 0.272 132 L C 1.096 177.974 176.870 0.013 0.000 1.161 132 L CA -0.357 54.466 54.840 -0.028 0.000 0.845 132 L CB 0.573 42.631 42.059 -0.002 0.000 1.119 132 L HN 0.002 nan 8.230 nan 0.000 0.464 133 D N 1.668 122.011 120.400 -0.094 0.000 2.338 133 D HA 0.184 4.783 4.640 -0.070 0.000 0.208 133 D C 0.271 176.315 176.300 -0.426 0.000 0.997 133 D CA 0.586 54.445 54.000 -0.234 0.000 0.880 133 D CB 0.795 41.424 40.800 -0.285 0.000 0.980 133 D HN 0.549 nan 8.370 nan 0.000 0.509 134 A N 0.606 123.165 122.820 -0.435 0.000 2.456 134 A HA 0.557 4.835 4.320 -0.070 0.000 0.288 134 A C -1.274 176.063 177.584 -0.413 0.000 1.042 134 A CA -0.764 50.755 52.037 -0.864 0.000 0.738 134 A CB 0.542 18.549 19.000 -1.654 0.000 1.266 134 A HN 0.067 nan 8.150 nan 0.000 0.407 135 F N 0.106 119.933 119.950 -0.205 0.000 2.711 135 F HA 0.869 5.357 4.527 -0.065 0.000 0.313 135 F C -1.613 174.236 175.800 0.082 0.000 1.141 135 F CA -1.384 56.632 58.000 0.026 0.000 0.941 135 F CB 1.238 40.287 39.000 0.082 0.000 1.349 135 F HN 0.411 nan 8.300 nan 0.000 0.464 136 L N 2.203 123.594 121.223 0.280 0.000 2.381 136 L HA 0.846 5.144 4.340 -0.070 0.000 0.268 136 L C -1.199 175.806 176.870 0.226 0.000 0.997 136 L CA -1.329 53.557 54.840 0.076 0.000 0.818 136 L CB 2.171 44.166 42.059 -0.107 0.000 1.310 136 L HN 0.583 nan 8.230 nan 0.000 0.416 137 V N 2.878 122.893 119.914 0.169 0.000 2.588 137 V HA 0.550 4.628 4.120 -0.070 0.000 0.304 137 V C -0.409 175.738 176.094 0.089 0.000 1.042 137 V CA -0.621 61.780 62.300 0.167 0.000 0.877 137 V CB 2.416 34.345 31.823 0.177 0.000 0.996 137 V HN 0.450 nan 8.190 nan 0.000 0.425 138 V N 3.026 122.986 119.914 0.077 0.000 2.588 138 V HA 1.036 5.114 4.120 -0.070 0.000 0.304 138 V C 0.362 176.386 176.094 -0.116 0.000 1.042 138 V CA -0.066 62.252 62.300 0.029 0.000 0.877 138 V CB 1.450 33.342 31.823 0.116 0.000 0.996 138 V HN 1.154 nan 8.190 nan 0.000 0.425 139 G N 2.445 111.062 108.800 -0.305 0.000 2.489 139 G HA2 0.469 4.387 3.960 -0.070 0.000 0.291 139 G HA3 0.469 4.387 3.960 -0.070 0.000 0.291 139 G C -1.860 172.790 174.900 -0.416 0.000 1.487 139 G CA -0.786 44.009 45.100 -0.510 0.000 0.795 139 G HN 0.696 nan 8.290 nan 0.000 0.513 140 D N -0.092 120.064 120.400 -0.405 0.000 2.390 140 D HA 0.364 4.962 4.640 -0.070 0.000 0.249 140 D C 0.816 176.816 176.300 -0.499 0.000 1.144 140 D CA -0.091 53.512 54.000 -0.661 0.000 0.880 140 D CB 1.626 42.191 40.800 -0.390 0.000 1.182 140 D HN 0.851 nan 8.370 nan 0.000 0.451 141 V N -0.355 119.080 119.914 -0.799 0.000 2.960 141 V HA 0.688 4.766 4.120 -0.070 0.000 0.315 141 V C -1.242 174.317 176.094 -0.891 0.000 1.087 141 V CA -1.073 60.853 62.300 -0.623 0.000 0.982 141 V CB 1.319 32.755 31.823 -0.644 0.000 1.039 141 V HN 0.505 nan 8.190 nan 0.000 0.437 142 Y N 1.274 121.400 120.300 -0.289 0.000 2.391 142 Y HA 0.854 5.362 4.550 -0.070 0.000 0.341 142 Y C 0.260 176.201 175.900 0.068 0.000 0.965 142 Y CA -0.749 57.312 58.100 -0.064 0.000 1.067 142 Y CB 2.440 40.913 38.460 0.023 0.000 1.199 142 Y HN 0.611 nan 8.280 nan 0.000 0.450 143 R N 1.942 122.635 120.500 0.322 0.000 2.626 143 R HA 0.481 4.779 4.340 -0.070 0.000 0.274 143 R C -1.246 175.121 176.300 0.112 0.000 1.031 143 R CA -1.178 55.040 56.100 0.196 0.000 0.898 143 R CB 2.531 32.995 30.300 0.274 0.000 1.222 143 R HN 0.663 nan 8.270 nan 0.000 0.455 144 R N 1.517 121.913 120.500 -0.173 0.000 2.216 144 R HA 0.273 4.571 4.340 -0.070 0.000 0.332 144 R C -0.535 175.753 176.300 -0.019 0.000 1.056 144 R CA -0.328 55.646 56.100 -0.211 0.000 0.901 144 R CB 0.616 30.670 30.300 -0.409 0.000 1.039 144 R HN 0.478 nan 8.270 nan 0.000 0.456 145 D N 0.755 121.172 120.400 0.030 0.000 2.752 145 D HA 0.052 4.650 4.640 -0.070 0.000 0.313 145 D C -0.726 175.511 176.300 -0.105 0.000 1.225 145 D CA -0.573 53.426 54.000 -0.002 0.000 0.976 145 D CB 1.326 42.139 40.800 0.023 0.000 1.443 145 D HN 0.462 nan 8.370 nan 0.000 0.515 146 Q N 0.132 119.762 119.800 -0.284 0.000 2.584 146 Q HA 0.329 4.627 4.340 -0.070 0.000 0.218 146 Q C -0.237 175.506 176.000 -0.428 0.000 1.079 146 Q CA 0.003 55.472 55.803 -0.557 0.000 1.008 146 Q CB 0.808 29.258 28.738 -0.481 0.000 1.267 146 Q HN 0.394 nan 8.270 nan 0.000 0.586 147 I N 1.831 122.118 120.570 -0.471 0.000 2.382 147 I HA 0.362 4.490 4.170 -0.070 0.000 0.286 147 I C -1.238 174.826 176.117 -0.087 0.000 1.002 147 I CA -0.618 60.557 61.300 -0.209 0.000 1.135 147 I CB 1.291 39.162 38.000 -0.216 0.000 1.288 147 I HN 0.833 nan 8.210 nan 0.000 0.448 148 D N 2.108 122.533 120.400 0.043 0.000 2.738 148 D HA 0.054 4.652 4.640 -0.070 0.000 0.308 148 D C 0.417 176.797 176.300 0.133 0.000 1.311 148 D CA -0.524 53.527 54.000 0.085 0.000 0.799 148 D CB 0.654 41.516 40.800 0.102 0.000 1.332 148 D HN 0.277 nan 8.370 nan 0.000 0.441 149 S N -1.231 114.535 115.700 0.109 0.000 2.537 149 S HA -0.176 4.252 4.470 -0.070 0.000 0.240 149 S C 0.748 175.404 174.600 0.093 0.000 0.981 149 S CA 0.944 59.203 58.200 0.100 0.000 0.948 149 S CB -0.581 62.670 63.200 0.084 0.000 0.759 149 S HN 0.521 nan 8.310 nan 0.000 0.531 150 Q N -0.147 119.702 119.800 0.082 0.000 2.171 150 Q HA 0.274 4.572 4.340 -0.070 0.000 0.218 150 Q C -0.571 175.260 176.000 -0.281 0.000 0.822 150 Q CA -0.045 55.716 55.803 -0.069 0.000 0.987 150 Q CB 0.605 29.268 28.738 -0.125 0.000 1.144 150 Q HN 0.662 nan 8.270 nan 0.000 0.494 151 H N -0.629 118.483 119.070 0.071 0.000 2.679 151 H HA 0.384 4.898 4.556 -0.070 0.000 0.360 151 H C -1.743 173.707 175.328 0.203 0.000 1.105 151 H CA -0.536 55.552 56.048 0.068 0.000 1.196 151 H CB 2.039 31.806 29.762 0.009 0.000 1.636 151 H HN -0.028 nan 8.280 nan 0.000 0.531 152 Y N 1.972 122.367 120.300 0.158 0.000 2.513 152 Y HA 0.201 4.709 4.550 -0.070 0.000 0.340 152 Y C -2.065 173.957 175.900 0.203 0.000 1.055 152 Y CA -2.235 55.951 58.100 0.144 0.000 1.020 152 Y CB 2.074 40.636 38.460 0.170 0.000 1.301 152 Y HN 0.323 nan 8.280 nan 0.000 0.453 153 P HA -0.032 nan 4.420 nan 0.000 0.219 153 P C -0.641 176.710 177.300 0.086 0.000 1.146 153 P CA 1.793 64.901 63.100 0.013 0.000 0.808 153 P CB 0.353 31.966 31.700 -0.145 0.000 0.779 154 I N -1.358 119.232 120.570 0.033 0.000 2.498 154 I HA 0.396 4.524 4.170 -0.070 0.000 0.290 154 I C -0.255 176.055 176.117 0.323 0.000 1.032 154 I CA -1.181 60.056 61.300 -0.105 0.000 1.073 154 I CB 1.741 39.598 38.000 -0.239 0.000 1.251 154 I HN -0.164 nan 8.210 nan 0.000 0.426 155 F N 2.514 122.392 119.950 -0.120 0.000 2.950 155 F HA 0.700 5.184 4.527 -0.071 0.000 0.327 155 F C -1.367 174.235 175.800 -0.330 0.000 1.197 155 F CA -0.990 57.024 58.000 0.022 0.000 0.954 155 F CB 1.149 40.207 39.000 0.097 0.000 1.442 155 F HN 0.270 nan 8.300 nan 0.000 0.509 156 H N -0.534 118.622 119.070 0.144 0.000 2.768 156 H HA 0.642 5.156 4.556 -0.070 0.000 0.371 156 H C -1.307 174.059 175.328 0.063 0.000 1.151 156 H CA -0.775 55.241 56.048 -0.052 0.000 1.165 156 H CB 2.017 31.716 29.762 -0.105 0.000 1.722 156 H HN 0.560 nan 8.280 nan 0.000 0.543 157 Q N 1.072 120.917 119.800 0.075 0.000 2.484 157 Q HA 0.539 4.837 4.340 -0.070 0.000 0.285 157 Q C -1.240 174.811 176.000 0.085 0.000 1.097 157 Q CA -1.162 54.714 55.803 0.122 0.000 0.802 157 Q CB 3.514 32.321 28.738 0.115 0.000 1.444 157 Q HN 0.448 nan 8.270 nan 0.000 0.429 158 L N 1.324 122.625 121.223 0.129 0.000 2.404 158 L HA 0.482 4.780 4.340 -0.070 0.000 0.272 158 L C -1.218 175.728 176.870 0.126 0.000 0.980 158 L CA -0.462 54.449 54.840 0.119 0.000 0.836 158 L CB 1.678 43.826 42.059 0.149 0.000 1.238 158 L HN 0.607 nan 8.230 nan 0.000 0.408 159 E N 3.441 123.663 120.200 0.037 0.000 2.277 159 E HA 0.773 5.081 4.350 -0.070 0.000 0.274 159 E C -1.100 175.339 176.600 -0.268 0.000 1.022 159 E CA -0.267 56.095 56.400 -0.063 0.000 0.853 159 E CB 1.833 31.530 29.700 -0.006 0.000 1.086 159 E HN 0.662 nan 8.360 nan 0.000 0.397 160 A N 2.858 125.320 122.820 -0.597 0.000 2.422 160 A HA 0.668 4.947 4.320 -0.070 0.000 0.302 160 A C -1.528 175.744 177.584 -0.520 0.000 1.041 160 A CA -0.644 50.948 52.037 -0.742 0.000 0.708 160 A CB 1.497 19.619 19.000 -1.464 0.000 1.257 160 A HN 0.392 nan 8.150 nan 0.000 0.414 161 V N 2.724 122.234 119.914 -0.673 0.000 2.638 161 V HA 0.731 4.810 4.120 -0.070 0.000 0.306 161 V C -0.546 174.992 176.094 -0.926 0.000 1.052 161 V CA -0.714 61.110 62.300 -0.793 0.000 0.885 161 V CB 1.983 33.063 31.823 -1.238 0.000 0.999 161 V HN 0.878 nan 8.190 nan 0.000 0.424 162 R N 3.810 123.676 120.500 -1.056 0.000 2.510 162 R HA 0.543 4.841 4.340 -0.070 0.000 0.294 162 R C -2.030 173.681 176.300 -0.981 0.000 1.056 162 R CA -0.636 54.710 56.100 -1.257 0.000 0.918 162 R CB 1.704 30.813 30.300 -1.985 0.000 1.187 162 R HN 0.528 nan 8.270 nan 0.000 0.437 163 L N 4.508 125.286 121.223 -0.741 0.000 2.360 163 L HA 0.611 4.909 4.340 -0.070 0.000 0.271 163 L C -0.531 175.995 176.870 -0.573 0.000 1.057 163 L CA -0.230 54.336 54.840 -0.457 0.000 0.803 163 L CB 0.786 42.687 42.059 -0.263 0.000 1.207 163 L HN 0.434 nan 8.230 nan 0.000 0.445 164 F N 0.050 119.873 119.950 -0.211 0.000 2.556 164 F HA 0.527 5.028 4.527 -0.044 0.000 0.314 164 F C 0.335 176.030 175.800 -0.176 0.000 1.106 164 F CA -0.668 57.213 58.000 -0.198 0.000 0.911 164 F CB 2.174 41.042 39.000 -0.220 0.000 1.190 164 F HN 0.453 nan 8.300 nan 0.000 0.448 165 S N 2.075 117.798 115.700 0.038 0.000 2.687 165 S HA 0.364 4.792 4.470 -0.070 0.000 0.283 165 S C 1.057 175.574 174.600 -0.137 0.000 1.170 165 S CA -0.719 57.469 58.200 -0.021 0.000 1.008 165 S CB 1.786 65.010 63.200 0.039 0.000 1.026 165 S HN 0.814 nan 8.310 nan 0.000 0.541 166 K N 0.308 120.554 120.400 -0.256 0.000 2.009 166 K HA -0.201 4.077 4.320 -0.070 0.000 0.210 166 K C 1.878 178.293 176.600 -0.308 0.000 1.049 166 K CA 2.007 58.064 56.287 -0.384 0.000 0.929 166 K CB -0.535 31.726 32.500 -0.397 0.000 0.714 166 K HN 0.779 nan 8.250 nan 0.000 0.440 167 H N -0.007 119.083 119.070 0.034 0.000 2.387 167 H HA -0.146 4.370 4.556 -0.067 0.000 0.299 167 H C 2.125 177.482 175.328 0.047 0.000 1.099 167 H CA 1.715 57.806 56.048 0.071 0.000 1.315 167 H CB -0.168 29.633 29.762 0.064 0.000 1.380 167 H HN 0.526 nan 8.280 nan 0.000 0.513 168 E N 0.878 121.143 120.200 0.109 0.000 2.047 168 E HA -0.136 4.172 4.350 -0.070 0.000 0.191 168 E C 2.291 178.907 176.600 0.026 0.000 0.987 168 E CA 0.549 57.003 56.400 0.091 0.000 0.799 168 E CB -0.036 29.718 29.700 0.090 0.000 0.752 168 E HN 0.170 nan 8.360 nan 0.000 0.449 169 L N 0.108 121.240 121.223 -0.152 0.000 2.042 169 L HA -0.121 4.177 4.340 -0.070 0.000 0.210 169 L C 1.350 177.992 176.870 -0.380 0.000 1.076 169 L CA 1.612 56.192 54.840 -0.433 0.000 0.749 169 L CB -0.246 41.277 42.059 -0.893 0.000 0.893 169 L HN 0.171 nan 8.230 nan 0.000 0.432 170 F N -0.841 119.084 119.950 -0.042 0.000 2.668 170 F HA 0.387 4.858 4.527 -0.093 0.000 0.297 170 F C 1.931 177.740 175.800 0.016 0.000 1.124 170 F CA 0.031 58.012 58.000 -0.032 0.000 1.353 170 F CB -1.415 37.553 39.000 -0.054 0.000 0.992 170 F HN 0.065 nan 8.300 nan 0.000 0.524 171 A N 0.313 123.234 122.820 0.168 0.000 2.019 171 A HA -0.023 4.256 4.320 -0.070 0.000 0.219 171 A C 2.464 180.123 177.584 0.125 0.000 1.164 171 A CA 1.684 53.811 52.037 0.150 0.000 0.644 171 A CB -1.036 18.050 19.000 0.145 0.000 0.805 171 A HN 0.419 nan 8.150 nan 0.000 0.449 172 G N -1.282 107.588 108.800 0.116 0.000 2.985 172 G HA2 0.372 4.290 3.960 -0.070 0.000 0.209 172 G HA3 0.372 4.290 3.960 -0.070 0.000 0.209 172 G C 0.289 175.230 174.900 0.069 0.000 1.165 172 G CA -0.071 45.081 45.100 0.087 0.000 0.776 172 G HN 0.287 nan 8.290 nan 0.000 0.541 173 I N 0.316 120.934 120.570 0.080 0.000 2.460 173 I HA 0.325 4.453 4.170 -0.070 0.000 0.298 173 I C 0.906 177.040 176.117 0.029 0.000 0.989 173 I CA -1.124 60.200 61.300 0.041 0.000 1.173 173 I CB 1.669 39.684 38.000 0.025 0.000 1.338 173 I HN -0.058 nan 8.210 nan 0.000 0.456 174 K N 2.069 122.473 120.400 0.007 0.000 1.980 174 K HA -0.208 4.070 4.320 -0.070 0.000 0.223 174 K C 0.832 177.433 176.600 0.001 0.000 1.052 174 K CA 1.794 58.084 56.287 0.004 0.000 0.974 174 K CB 0.025 32.521 32.500 -0.006 0.000 0.734 174 K HN 0.584 nan 8.250 nan 0.000 0.447 175 D N 0.107 120.495 120.400 -0.021 0.000 2.323 175 D HA 0.015 4.613 4.640 -0.070 0.000 0.239 175 D C 1.420 177.690 176.300 -0.050 0.000 1.129 175 D CA 0.145 54.127 54.000 -0.030 0.000 0.865 175 D CB -0.102 40.672 40.800 -0.044 0.000 0.913 175 D HN 0.363 nan 8.370 nan 0.000 0.517 176 G N 0.957 109.735 108.800 -0.036 0.000 2.606 176 G HA2 -0.300 3.618 3.960 -0.070 0.000 0.223 176 G HA3 -0.300 3.618 3.960 -0.070 0.000 0.223 176 G C 1.440 176.320 174.900 -0.032 0.000 1.106 176 G CA 0.507 45.575 45.100 -0.053 0.000 0.745 176 G HN 0.287 nan 8.290 nan 0.000 0.597 177 E N 0.614 120.840 120.200 0.043 0.000 2.472 177 E HA -0.061 4.247 4.350 -0.070 0.000 0.200 177 E C 2.689 179.303 176.600 0.024 0.000 1.046 177 E CA 1.007 57.461 56.400 0.089 0.000 0.871 177 E CB -0.066 29.708 29.700 0.123 0.000 0.806 177 E HN 0.656 nan 8.360 nan 0.000 0.533 178 S N -0.679 114.994 115.700 -0.045 0.000 2.548 178 S HA 0.121 4.549 4.470 -0.070 0.000 0.215 178 S C 1.017 175.540 174.600 -0.129 0.000 0.976 178 S CA -0.258 57.905 58.200 -0.061 0.000 0.908 178 S CB 0.058 63.221 63.200 -0.060 0.000 0.781 178 S HN 0.009 nan 8.310 nan 0.000 0.519 179 L N 1.439 122.512 121.223 -0.250 0.000 2.421 179 L HA 0.493 4.791 4.340 -0.070 0.000 0.263 179 L C 0.201 176.921 176.870 -0.251 0.000 1.122 179 L CA -0.547 54.018 54.840 -0.459 0.000 0.804 179 L CB 0.982 42.341 42.059 -1.167 0.000 1.150 179 L HN 0.276 nan 8.230 nan 0.000 0.457 180 Q N 0.685 120.395 119.800 -0.151 0.000 2.484 180 Q HA 0.393 4.691 4.340 -0.070 0.000 0.285 180 Q C 0.233 176.281 176.000 0.081 0.000 1.097 180 Q CA -0.822 55.001 55.803 0.033 0.000 0.802 180 Q CB 2.615 31.359 28.738 0.011 0.000 1.444 180 Q HN 0.514 nan 8.270 nan 0.000 0.429 181 L N -0.088 121.029 121.223 -0.176 0.000 2.249 181 L HA 0.207 4.505 4.340 -0.070 0.000 0.207 181 L C -0.109 176.374 176.870 -0.646 0.000 1.090 181 L CA 0.811 55.300 54.840 -0.587 0.000 0.802 181 L CB 0.280 41.612 42.059 -1.211 0.000 0.947 181 L HN 0.435 nan 8.230 nan 0.000 0.453 182 F N -0.244 119.775 119.950 0.114 0.000 2.556 182 F HA 0.531 5.021 4.527 -0.063 0.000 0.327 182 F C 0.237 176.100 175.800 0.105 0.000 1.059 182 F CA -1.250 56.832 58.000 0.136 0.000 0.953 182 F CB 1.398 40.475 39.000 0.130 0.000 1.227 182 F HN -0.044 nan 8.300 nan 0.000 0.478 183 E N -0.469 119.920 120.200 0.315 0.000 2.377 183 E HA 0.446 4.754 4.350 -0.070 0.000 0.266 183 E C -1.803 174.893 176.600 0.159 0.000 1.111 183 E CA -1.106 55.406 56.400 0.187 0.000 0.889 183 E CB 1.310 31.092 29.700 0.137 0.000 1.644 183 E HN 0.316 nan 8.360 nan 0.000 0.464 184 Q N 1.110 120.975 119.800 0.110 0.000 3.064 184 Q HA 0.355 4.653 4.340 -0.070 0.000 0.258 184 Q C -0.871 175.172 176.000 0.071 0.000 0.972 184 Q CA -0.217 55.637 55.803 0.085 0.000 0.761 184 Q CB 1.474 30.251 28.738 0.066 0.000 1.281 184 Q HN 0.700 nan 8.270 nan 0.000 0.455 185 S N -0.221 115.526 115.700 0.079 0.000 3.362 185 S HA 0.711 5.140 4.470 -0.070 0.000 0.235 185 S C 0.421 175.058 174.600 0.063 0.000 1.026 185 S CA -0.344 57.897 58.200 0.068 0.000 1.257 185 S CB 0.798 64.044 63.200 0.076 0.000 1.187 185 S HN 0.329 nan 8.310 nan 0.000 0.660 186 S N -0.314 115.425 115.700 0.066 0.000 2.648 186 S HA 0.639 5.067 4.470 -0.070 0.000 0.305 186 S C -0.533 174.113 174.600 0.076 0.000 1.094 186 S CA -0.925 57.310 58.200 0.058 0.000 0.983 186 S CB 1.387 64.615 63.200 0.048 0.000 1.101 186 S HN 0.864 nan 8.310 nan 0.000 0.514 187 R N 0.711 121.249 120.500 0.062 0.000 2.357 187 R HA 0.548 4.847 4.340 -0.070 0.000 0.296 187 R C -0.057 176.299 176.300 0.094 0.000 1.052 187 R CA -0.005 56.146 56.100 0.085 0.000 0.988 187 R CB 0.649 30.961 30.300 0.020 0.000 1.025 187 R HN 0.951 nan 8.270 nan 0.000 0.469 188 S N 2.387 118.186 115.700 0.165 0.000 2.811 188 S HA 0.492 4.920 4.470 -0.070 0.000 0.311 188 S C 0.667 175.360 174.600 0.155 0.000 1.152 188 S CA -0.384 57.891 58.200 0.126 0.000 0.864 188 S CB 1.435 64.726 63.200 0.153 0.000 1.226 188 S HN 0.643 nan 8.310 nan 0.000 0.541 189 A N -0.215 122.583 122.820 -0.036 0.000 2.121 189 A HA 0.042 4.320 4.320 -0.070 0.000 0.218 189 A C 1.432 178.856 177.584 -0.267 0.000 1.154 189 A CA 1.495 53.444 52.037 -0.147 0.000 0.679 189 A CB -1.161 17.620 19.000 -0.365 0.000 0.795 189 A HN 0.903 nan 8.150 nan 0.000 0.458 190 H N -0.985 118.124 119.070 0.066 0.000 2.654 190 H HA 0.253 4.776 4.556 -0.055 0.000 0.264 190 H C 0.326 175.618 175.328 -0.059 0.000 0.954 190 H CA 0.871 56.917 56.048 -0.003 0.000 1.199 190 H CB 0.292 30.078 29.762 0.040 0.000 1.446 190 H HN 0.627 nan 8.280 nan 0.000 0.516 191 K N -0.383 120.072 120.400 0.092 0.000 2.607 191 K HA 0.271 4.549 4.320 -0.070 0.000 0.287 191 K C -1.358 175.398 176.600 0.260 0.000 0.996 191 K CA -0.950 55.400 56.287 0.104 0.000 0.876 191 K CB 1.695 34.302 32.500 0.178 0.000 1.496 191 K HN -0.066 nan 8.250 nan 0.000 0.415 192 Q N 0.826 120.773 119.800 0.246 0.000 2.443 192 Q HA -0.007 4.291 4.340 -0.070 0.000 0.232 192 Q C 0.885 176.945 176.000 0.102 0.000 1.026 192 Q CA -0.148 55.759 55.803 0.172 0.000 0.924 192 Q CB 0.847 29.521 28.738 -0.107 0.000 1.256 192 Q HN 0.755 nan 8.270 nan 0.000 0.519 193 E N 0.131 120.365 120.200 0.057 0.000 2.274 193 E HA -0.135 4.173 4.350 -0.070 0.000 0.194 193 E C 1.089 177.740 176.600 0.085 0.000 0.996 193 E CA 1.652 58.093 56.400 0.067 0.000 0.840 193 E CB -0.143 29.583 29.700 0.043 0.000 0.772 193 E HN 0.707 nan 8.360 nan 0.000 0.491 194 T N -2.370 112.224 114.554 0.065 0.000 3.105 194 T HA 0.162 4.470 4.350 -0.070 0.000 0.253 194 T C 0.295 175.244 174.700 0.414 0.000 1.047 194 T CA -0.442 61.760 62.100 0.169 0.000 0.944 194 T CB -0.524 68.400 68.868 0.095 0.000 1.016 194 T HN 0.187 nan 8.240 nan 0.000 0.544 195 H N 1.784 121.000 119.070 0.244 0.000 2.472 195 H HA 0.496 5.010 4.556 -0.070 0.000 0.338 195 H C 0.314 175.725 175.328 0.138 0.000 1.133 195 H CA -0.954 55.224 56.048 0.218 0.000 1.216 195 H CB 1.616 31.487 29.762 0.181 0.000 1.497 195 H HN 0.294 nan 8.280 nan 0.000 0.500 196 T N -0.111 114.562 114.554 0.200 0.000 2.913 196 T HA 0.081 4.389 4.350 -0.070 0.000 0.287 196 T C 1.239 176.000 174.700 0.102 0.000 1.008 196 T CA -0.882 61.289 62.100 0.120 0.000 1.067 196 T CB 1.357 70.264 68.868 0.066 0.000 0.996 196 T HN 0.502 nan 8.240 nan 0.000 0.513 197 M N 0.933 120.580 119.600 0.078 0.000 2.213 197 M HA 0.027 4.465 4.480 -0.070 0.000 0.263 197 M C 1.772 178.097 176.300 0.041 0.000 1.062 197 M CA 1.559 56.894 55.300 0.060 0.000 1.105 197 M CB -0.999 31.621 32.600 0.034 0.000 1.385 197 M HN 0.808 nan 8.290 nan 0.000 0.417 198 E N 0.098 120.321 120.200 0.038 0.000 2.051 198 E HA -0.094 4.214 4.350 -0.070 0.000 0.192 198 E C 2.061 178.757 176.600 0.160 0.000 0.991 198 E CA 1.783 58.217 56.400 0.056 0.000 0.799 198 E CB -0.710 28.972 29.700 -0.030 0.000 0.748 198 E HN 0.606 nan 8.360 nan 0.000 0.449 199 A N 0.403 123.317 122.820 0.156 0.000 1.873 199 A HA -0.123 4.155 4.320 -0.070 0.000 0.215 199 A C 2.490 180.023 177.584 -0.086 0.000 1.186 199 A CA 1.354 53.396 52.037 0.009 0.000 0.616 199 A CB -0.725 18.197 19.000 -0.130 0.000 0.823 199 A HN 0.146 nan 8.150 nan 0.000 0.442 200 V N 0.608 120.508 119.914 -0.023 0.000 2.343 200 V HA -0.240 3.838 4.120 -0.070 0.000 0.247 200 V C 2.505 178.614 176.094 0.025 0.000 1.051 200 V CA 2.108 64.418 62.300 0.016 0.000 1.036 200 V CB -0.612 31.267 31.823 0.094 0.000 0.654 200 V HN 0.408 nan 8.190 nan 0.000 0.451 201 K N -0.019 120.393 120.400 0.019 0.000 2.103 201 K HA -0.074 4.205 4.320 -0.070 0.000 0.207 201 K C 2.033 178.638 176.600 0.009 0.000 1.048 201 K CA 1.350 57.642 56.287 0.009 0.000 0.930 201 K CB -0.537 31.951 32.500 -0.019 0.000 0.716 201 K HN 0.412 nan 8.250 nan 0.000 0.444 202 L N 0.289 121.496 121.223 -0.027 0.000 2.131 202 L HA -0.099 4.199 4.340 -0.070 0.000 0.206 202 L C 2.390 179.207 176.870 -0.087 0.000 1.087 202 L CA 0.515 55.322 54.840 -0.056 0.000 0.767 202 L CB -0.443 41.532 42.059 -0.141 0.000 0.917 202 L HN -0.132 nan 8.230 nan 0.000 0.441 203 V N 0.143 119.969 119.914 -0.146 0.000 2.307 203 V HA -0.288 3.790 4.120 -0.070 0.000 0.245 203 V C 2.484 178.650 176.094 0.120 0.000 1.045 203 V CA 2.001 64.265 62.300 -0.059 0.000 1.024 203 V CB -0.477 31.342 31.823 -0.006 0.000 0.651 203 V HN 0.507 nan 8.190 nan 0.000 0.449 204 E N -0.299 119.946 120.200 0.075 0.000 2.085 204 E HA -0.288 4.020 4.350 -0.070 0.000 0.194 204 E C 2.128 178.661 176.600 -0.112 0.000 0.994 204 E CA 1.772 58.176 56.400 0.006 0.000 0.801 204 E CB -0.227 29.493 29.700 0.033 0.000 0.743 204 E HN 0.535 nan 8.360 nan 0.000 0.453 205 F N 1.772 121.626 119.950 -0.161 0.000 2.134 205 F HA -0.161 4.330 4.527 -0.060 0.000 0.299 205 F C 1.923 177.650 175.800 -0.121 0.000 1.097 205 F CA 2.188 60.086 58.000 -0.169 0.000 1.264 205 F CB -0.424 38.511 39.000 -0.109 0.000 1.001 205 F HN 0.087 nan 8.300 nan 0.000 0.479 206 D N -0.139 120.273 120.400 0.019 0.000 2.117 206 D HA -0.216 4.382 4.640 -0.070 0.000 0.197 206 D C 2.199 178.450 176.300 -0.082 0.000 0.987 206 D CA 1.355 55.409 54.000 0.090 0.000 0.829 206 D CB -0.242 40.818 40.800 0.432 0.000 0.961 206 D HN 0.275 nan 8.370 nan 0.000 0.460 207 L N 0.959 121.992 121.223 -0.315 0.000 1.989 207 L HA -0.148 4.151 4.340 -0.070 0.000 0.211 207 L C 1.917 178.412 176.870 -0.624 0.000 1.071 207 L CA 1.907 56.221 54.840 -0.877 0.000 0.749 207 L CB -0.547 41.088 42.059 -0.707 0.000 0.890 207 L HN -0.071 nan 8.230 nan 0.000 0.431 208 K N -1.098 118.914 120.400 -0.645 0.000 2.097 208 K HA -0.148 4.130 4.320 -0.070 0.000 0.205 208 K C 2.148 178.540 176.600 -0.347 0.000 1.050 208 K CA 1.296 57.163 56.287 -0.700 0.000 0.938 208 K CB -0.173 31.683 32.500 -1.074 0.000 0.718 208 K HN 0.430 nan 8.250 nan 0.000 0.442 209 Q N 0.110 119.633 119.800 -0.462 0.000 2.079 209 Q HA -0.093 4.205 4.340 -0.070 0.000 0.200 209 Q C 2.173 178.075 176.000 -0.164 0.000 0.974 209 Q CA 1.554 57.143 55.803 -0.356 0.000 0.840 209 Q CB -0.382 28.044 28.738 -0.520 0.000 0.898 209 Q HN 0.320 nan 8.270 nan 0.000 0.430 210 T N 2.002 116.477 114.554 -0.132 0.000 2.708 210 T HA -0.099 4.209 4.350 -0.070 0.000 0.266 210 T C 2.079 176.726 174.700 -0.090 0.000 1.037 210 T CA 0.915 63.000 62.100 -0.025 0.000 1.146 210 T CB -0.262 68.666 68.868 0.102 0.000 0.865 210 T HN 0.158 nan 8.240 nan 0.000 0.435 211 L N 0.586 121.710 121.223 -0.164 0.000 2.093 211 L HA -0.099 4.199 4.340 -0.070 0.000 0.208 211 L C 2.907 179.704 176.870 -0.122 0.000 1.085 211 L CA 1.121 55.844 54.840 -0.196 0.000 0.755 211 L CB -0.863 41.111 42.059 -0.143 0.000 0.904 211 L HN 0.301 nan 8.230 nan 0.000 0.435 212 T N -0.832 113.704 114.554 -0.031 0.000 2.746 212 T HA -0.155 4.154 4.350 -0.070 0.000 0.267 212 T C 2.018 176.672 174.700 -0.077 0.000 1.039 212 T CA 1.079 63.158 62.100 -0.036 0.000 1.142 212 T CB -0.116 68.764 68.868 0.019 0.000 0.866 212 T HN 0.277 nan 8.240 nan 0.000 0.444 213 R N 0.236 120.691 120.500 -0.075 0.000 2.115 213 R HA 0.057 4.355 4.340 -0.070 0.000 0.230 213 R C 2.356 178.496 176.300 -0.266 0.000 1.111 213 R CA 0.760 56.824 56.100 -0.059 0.000 0.976 213 R CB -0.472 29.860 30.300 0.053 0.000 0.870 213 R HN 0.256 nan 8.270 nan 0.000 0.445 214 L N 0.219 121.192 121.223 -0.417 0.000 2.093 214 L HA -0.076 4.222 4.340 -0.070 0.000 0.208 214 L C 2.064 178.752 176.870 -0.303 0.000 1.085 214 L CA 1.611 56.015 54.840 -0.727 0.000 0.755 214 L CB -0.208 41.578 42.059 -0.454 0.000 0.904 214 L HN 0.036 nan 8.230 nan 0.000 0.435 215 M N -0.353 119.151 119.600 -0.159 0.000 2.200 215 M HA 0.034 4.472 4.480 -0.070 0.000 0.265 215 M C 2.253 178.587 176.300 0.057 0.000 1.066 215 M CA 1.667 56.965 55.300 -0.005 0.000 1.127 215 M CB -0.961 31.571 32.600 -0.113 0.000 1.379 215 M HN 0.360 nan 8.290 nan 0.000 0.420 216 A N -1.649 121.158 122.820 -0.022 0.000 1.933 216 A HA -0.226 4.052 4.320 -0.070 0.000 0.218 216 A C 2.073 179.664 177.584 0.011 0.000 1.175 216 A CA 2.150 54.191 52.037 0.008 0.000 0.628 216 A CB -1.102 17.899 19.000 0.002 0.000 0.814 216 A HN 0.658 nan 8.150 nan 0.000 0.444 217 H N -0.247 118.745 119.070 -0.131 0.000 2.389 217 H HA 0.047 4.561 4.556 -0.070 0.000 0.299 217 H C 1.636 176.892 175.328 -0.120 0.000 1.081 217 H CA 1.931 57.904 56.048 -0.124 0.000 1.345 217 H CB -0.175 29.444 29.762 -0.238 0.000 1.393 217 H HN 0.372 nan 8.280 nan 0.000 0.520 218 L N -1.491 119.599 121.223 -0.223 0.000 2.127 218 L HA 0.002 4.300 4.340 -0.070 0.000 0.203 218 L C 1.483 178.056 176.870 -0.495 0.000 1.080 218 L CA 0.829 55.437 54.840 -0.388 0.000 0.768 218 L CB -0.155 41.709 42.059 -0.324 0.000 0.924 218 L HN 0.238 nan 8.230 nan 0.000 0.444 219 F N -0.543 119.298 119.950 -0.181 0.000 2.678 219 F HA 0.402 4.887 4.527 -0.069 0.000 0.291 219 F C 1.290 177.026 175.800 -0.106 0.000 1.123 219 F CA 0.372 58.284 58.000 -0.146 0.000 1.395 219 F CB 0.383 39.298 39.000 -0.142 0.000 1.121 219 F HN 0.082 nan 8.300 nan 0.000 0.592 220 G N 1.089 109.927 108.800 0.063 0.000 2.619 220 G HA2 -0.183 3.735 3.960 -0.070 0.000 0.686 220 G HA3 -0.183 3.735 3.960 -0.070 0.000 0.686 220 G C -0.221 174.703 174.900 0.040 0.000 1.256 220 G CA -0.319 44.798 45.100 0.030 0.000 0.826 220 G HN 0.270 nan 8.290 nan 0.000 0.619 221 D N -0.397 120.017 120.400 0.023 0.000 2.346 221 D HA 0.042 4.640 4.640 -0.070 0.000 0.248 221 D C 0.872 177.178 176.300 0.010 0.000 1.173 221 D CA 0.543 54.552 54.000 0.015 0.000 0.878 221 D CB 0.378 41.188 40.800 0.015 0.000 0.919 221 D HN 0.391 nan 8.370 nan 0.000 0.513 222 E N 0.340 120.549 120.200 0.015 0.000 2.489 222 E HA 0.130 4.438 4.350 -0.070 0.000 0.204 222 E C 0.972 177.564 176.600 -0.013 0.000 1.006 222 E CA -0.231 56.173 56.400 0.006 0.000 0.936 222 E CB 0.721 30.430 29.700 0.016 0.000 1.002 222 E HN 0.561 nan 8.360 nan 0.000 0.488 223 L N 0.105 121.309 121.223 -0.031 0.000 2.439 223 L HA 0.302 4.600 4.340 -0.070 0.000 0.269 223 L C 0.072 176.881 176.870 -0.101 0.000 1.179 223 L CA -0.170 54.609 54.840 -0.101 0.000 0.828 223 L CB 0.750 42.675 42.059 -0.222 0.000 1.106 223 L HN -0.308 nan 8.230 nan 0.000 0.467 224 E N 5.419 125.546 120.200 -0.121 0.000 2.109 224 E HA 0.453 4.761 4.350 -0.070 0.000 0.278 224 E C -0.394 176.216 176.600 0.016 0.000 0.954 224 E CA -0.267 56.101 56.400 -0.053 0.000 0.779 224 E CB 1.943 31.566 29.700 -0.128 0.000 1.093 224 E HN 0.709 nan 8.360 nan 0.000 0.401 225 I N -0.128 120.483 120.570 0.069 0.000 2.957 225 I HA 0.687 4.815 4.170 -0.070 0.000 0.310 225 I C -0.322 175.764 176.117 -0.052 0.000 1.063 225 I CA -1.202 60.105 61.300 0.011 0.000 1.033 225 I CB 2.490 40.315 38.000 -0.292 0.000 1.230 225 I HN 0.290 nan 8.210 nan 0.000 0.447 226 R N 2.581 122.891 120.500 -0.317 0.000 2.680 226 R HA 0.430 4.728 4.340 -0.070 0.000 0.269 226 R C -2.724 173.256 176.300 -0.535 0.000 1.026 226 R CA -0.690 55.133 56.100 -0.462 0.000 0.889 226 R CB 1.341 31.166 30.300 -0.792 0.000 1.241 226 R HN 0.812 nan 8.270 nan 0.000 0.463 227 W N 2.021 123.229 121.300 -0.154 0.000 2.433 227 W HA 0.537 5.183 4.660 -0.023 0.000 0.315 227 W C -0.513 175.980 176.519 -0.043 0.000 1.087 227 W CA -0.732 56.556 57.345 -0.094 0.000 1.205 227 W CB 2.153 31.518 29.460 -0.158 0.000 1.288 227 W HN 0.153 nan 8.180 nan 0.000 0.504 228 V N 3.991 124.055 119.914 0.252 0.000 2.448 228 V HA 0.189 4.267 4.120 -0.070 0.000 0.295 228 V C -0.223 176.032 176.094 0.267 0.000 1.025 228 V CA -0.984 61.415 62.300 0.165 0.000 0.859 228 V CB 1.324 33.180 31.823 0.054 0.000 0.988 228 V HN 0.371 nan 8.190 nan 0.000 0.431 229 D N 3.414 123.941 120.400 0.211 0.000 2.389 229 D HA 0.451 5.050 4.640 -0.070 0.000 0.247 229 D C 0.155 176.467 176.300 0.020 0.000 1.128 229 D CA 0.203 54.285 54.000 0.136 0.000 0.884 229 D CB 1.269 42.123 40.800 0.090 0.000 1.194 229 D HN 0.871 nan 8.370 nan 0.000 0.441 230 C N 1.244 120.499 119.300 -0.075 0.000 3.275 230 C HA 0.772 5.190 4.460 -0.070 0.000 0.373 230 C C -1.220 173.661 174.990 -0.181 0.000 1.934 230 C CA -1.024 57.914 59.018 -0.133 0.000 1.228 230 C CB 0.793 28.416 27.740 -0.194 0.000 2.317 230 C HN 0.600 nan 8.230 nan 0.000 0.437 231 Y N 0.185 120.191 120.300 -0.490 0.000 2.492 231 Y HA 0.816 5.323 4.550 -0.072 0.000 0.346 231 Y C -1.789 173.634 175.900 -0.795 0.000 0.997 231 Y CA -1.151 56.679 58.100 -0.448 0.000 1.025 231 Y CB 1.716 40.028 38.460 -0.248 0.000 1.263 231 Y HN 0.723 nan 8.280 nan 0.000 0.454 232 F N 5.371 124.588 119.950 -1.221 0.000 2.628 232 F HA 0.410 4.892 4.527 -0.075 0.000 0.309 232 F C -2.150 172.777 175.800 -1.455 0.000 1.108 232 F CA -2.221 55.053 58.000 -1.210 0.000 0.971 232 F CB 2.008 40.298 39.000 -1.184 0.000 1.279 232 F HN 0.279 nan 8.300 nan 0.000 0.441 233 P HA -0.081 nan 4.420 nan 0.000 0.223 233 P C 0.949 178.177 177.300 -0.120 0.000 1.151 233 P CA 1.277 64.188 63.100 -0.314 0.000 0.787 233 P CB -0.056 31.645 31.700 0.001 0.000 0.788 234 F N -1.977 117.950 119.950 -0.039 0.000 2.727 234 F HA 0.327 4.813 4.527 -0.068 0.000 0.302 234 F C 0.529 176.353 175.800 0.040 0.000 1.097 234 F CA -0.304 57.697 58.000 0.001 0.000 1.330 234 F CB -1.093 37.898 39.000 -0.015 0.000 1.084 234 F HN -0.203 nan 8.300 nan 0.000 0.578 235 T N -1.996 112.503 114.554 -0.092 0.000 2.883 235 T HA 0.613 4.921 4.350 -0.070 0.000 0.301 235 T C -1.765 172.975 174.700 0.066 0.000 1.158 235 T CA -0.760 61.368 62.100 0.046 0.000 1.007 235 T CB 2.369 71.271 68.868 0.058 0.000 1.186 235 T HN 0.346 nan 8.240 nan 0.000 0.499 236 H N 0.742 119.813 119.070 0.002 0.000 3.098 236 H HA 0.389 4.911 4.556 -0.056 0.000 0.293 236 H C -3.252 172.108 175.328 0.053 0.000 1.231 236 H CA -0.533 55.501 56.048 -0.024 0.000 1.592 236 H CB 1.691 31.444 29.762 -0.015 0.000 2.251 236 H HN 0.579 nan 8.280 nan 0.000 0.415 237 P HA 0.208 nan 4.420 nan 0.000 0.272 237 P C -0.732 176.258 177.300 -0.517 0.000 1.230 237 P CA -0.253 62.469 63.100 -0.629 0.000 0.788 237 P CB 1.249 32.666 31.700 -0.472 0.000 0.949 238 S N 0.540 115.840 115.700 -0.667 0.000 2.542 238 S HA 0.774 5.202 4.470 -0.070 0.000 0.293 238 S C -0.753 173.357 174.600 -0.818 0.000 1.089 238 S CA -0.236 57.672 58.200 -0.486 0.000 0.961 238 S CB 0.721 63.890 63.200 -0.052 0.000 1.062 238 S HN 0.328 nan 8.310 nan 0.000 0.483 239 F N 0.465 120.557 119.950 0.237 0.000 2.626 239 F HA 0.554 5.037 4.527 -0.075 0.000 0.311 239 F C 0.040 176.047 175.800 0.345 0.000 1.088 239 F CA -0.894 57.257 58.000 0.252 0.000 0.949 239 F CB 1.557 40.709 39.000 0.252 0.000 1.322 239 F HN 0.402 nan 8.300 nan 0.000 0.461 240 E N 1.507 122.001 120.200 0.489 0.000 2.222 240 E HA 0.479 4.787 4.350 -0.070 0.000 0.267 240 E C -1.261 175.478 176.600 0.231 0.000 0.884 240 E CA -0.938 55.664 56.400 0.337 0.000 0.764 240 E CB 2.765 32.597 29.700 0.220 0.000 1.169 240 E HN 0.554 nan 8.360 nan 0.000 0.413 241 M N 2.673 122.297 119.600 0.041 0.000 2.238 241 M HA 0.319 4.757 4.480 -0.070 0.000 0.350 241 M C -1.105 175.064 176.300 -0.218 0.000 1.138 241 M CA -0.221 54.872 55.300 -0.346 0.000 1.040 241 M CB 0.938 33.123 32.600 -0.692 0.000 1.639 241 M HN 0.473 nan 8.290 nan 0.000 0.451 242 E N 4.632 124.702 120.200 -0.218 0.000 2.227 242 E HA 0.558 4.866 4.350 -0.070 0.000 0.268 242 E C -1.310 175.330 176.600 0.066 0.000 0.907 242 E CA -0.708 55.680 56.400 -0.020 0.000 0.786 242 E CB 2.826 32.579 29.700 0.088 0.000 1.191 242 E HN 0.655 nan 8.360 nan 0.000 0.411 243 I N 2.043 122.642 120.570 0.048 0.000 2.433 243 I HA 0.187 4.315 4.170 -0.070 0.000 0.292 243 I C -0.081 175.978 176.117 -0.097 0.000 1.001 243 I CA -0.780 60.476 61.300 -0.073 0.000 1.119 243 I CB 1.498 39.303 38.000 -0.325 0.000 1.289 243 I HN 0.373 nan 8.210 nan 0.000 0.438 244 N N 6.430 124.876 118.700 -0.423 0.000 2.411 244 N HA 0.212 4.910 4.740 -0.070 0.000 0.259 244 N C -1.687 173.650 175.510 -0.289 0.000 1.103 244 N CA 0.106 52.695 53.050 -0.768 0.000 0.954 244 N CB 0.783 38.404 38.487 -1.443 0.000 1.085 244 N HN 0.371 nan 8.380 nan 0.000 0.485 245 F N 3.366 123.110 119.950 -0.343 0.000 2.561 245 F HA 0.274 4.759 4.527 -0.070 0.000 0.313 245 F C 0.230 175.962 175.800 -0.113 0.000 1.126 245 F CA -0.426 57.430 58.000 -0.239 0.000 0.918 245 F CB 0.611 39.451 39.000 -0.267 0.000 1.199 245 F HN 0.673 nan 8.300 nan 0.000 0.444 246 H N 3.878 122.493 119.070 -0.759 0.000 2.692 246 H HA -0.176 4.338 4.556 -0.069 0.000 0.316 246 H C 1.314 176.452 175.328 -0.317 0.000 1.176 246 H CA 0.601 56.294 56.048 -0.591 0.000 1.142 246 H CB -0.974 28.367 29.762 -0.702 0.000 1.475 246 H HN 1.275 nan 8.280 nan 0.000 0.423 247 G N 0.479 109.173 108.800 -0.176 0.000 2.155 247 G HA2 -0.342 3.576 3.960 -0.070 0.000 0.257 247 G HA3 -0.342 3.576 3.960 -0.070 0.000 0.257 247 G C -0.049 174.748 174.900 -0.171 0.000 0.983 247 G CA 0.824 45.821 45.100 -0.173 0.000 0.676 247 G HN 0.702 nan 8.290 nan 0.000 0.528 248 E N -1.191 118.900 120.200 -0.181 0.000 2.314 248 E HA 0.508 4.816 4.350 -0.070 0.000 0.272 248 E C -0.817 175.701 176.600 -0.136 0.000 0.884 248 E CA -1.356 54.983 56.400 -0.102 0.000 0.753 248 E CB 1.061 30.768 29.700 0.011 0.000 1.213 248 E HN 0.226 nan 8.360 nan 0.000 0.432 249 W N 5.029 126.338 121.300 0.014 0.000 2.437 249 W HA 0.327 4.948 4.660 -0.065 0.000 0.312 249 W C -0.514 176.003 176.519 -0.003 0.000 1.242 249 W CA -0.433 56.907 57.345 -0.008 0.000 1.340 249 W CB 0.525 29.974 29.460 -0.018 0.000 1.327 249 W HN 0.234 nan 8.180 nan 0.000 0.476 250 L N 5.194 126.535 121.223 0.196 0.000 2.322 250 L HA 0.335 4.633 4.340 -0.070 0.000 0.281 250 L C 0.496 177.407 176.870 0.068 0.000 1.014 250 L CA -1.277 53.627 54.840 0.107 0.000 0.815 250 L CB 1.176 43.266 42.059 0.051 0.000 1.247 250 L HN 0.377 nan 8.230 nan 0.000 0.421 251 E N 3.497 123.732 120.200 0.059 0.000 2.344 251 E HA 0.102 4.410 4.350 -0.070 0.000 0.270 251 E C 0.403 177.009 176.600 0.010 0.000 1.021 251 E CA -0.268 56.157 56.400 0.041 0.000 0.887 251 E CB 2.002 31.746 29.700 0.073 0.000 0.997 251 E HN 0.498 nan 8.360 nan 0.000 0.429 252 V N 0.267 120.171 119.914 -0.016 0.000 3.502 252 V HA 0.294 4.373 4.120 -0.070 0.000 0.288 252 V C 0.113 176.218 176.094 0.019 0.000 1.461 252 V CA 0.205 62.490 62.300 -0.026 0.000 1.029 252 V CB -0.512 31.257 31.823 -0.089 0.000 0.843 252 V HN 0.586 nan 8.190 nan 0.000 0.438 253 L N -2.328 118.927 121.223 0.052 0.000 2.794 253 L HA 1.040 5.338 4.340 -0.070 0.000 0.261 253 L C -0.560 176.429 176.870 0.198 0.000 0.989 253 L CA -0.116 54.791 54.840 0.112 0.000 0.900 253 L CB 0.949 43.034 42.059 0.044 0.000 1.473 253 L HN 0.110 nan 8.230 nan 0.000 0.414 254 G N -0.713 108.226 108.800 0.231 0.000 2.453 254 G HA2 0.842 4.760 3.960 -0.070 0.000 0.323 254 G HA3 0.842 4.760 3.960 -0.070 0.000 0.323 254 G C -0.639 174.391 174.900 0.218 0.000 1.198 254 G CA -0.167 45.101 45.100 0.281 0.000 0.959 254 G HN 1.710 nan 8.290 nan 0.000 0.482 255 C N -1.172 118.306 119.300 0.296 0.000 3.249 255 C HA 1.054 5.472 4.460 -0.070 0.000 0.350 255 C C 0.288 175.469 174.990 0.318 0.000 1.431 255 C CA 0.027 59.228 59.018 0.306 0.000 1.209 255 C CB 1.306 29.268 27.740 0.369 0.000 1.546 255 C HN 2.295 nan 8.230 nan 0.000 0.450 256 G N -0.628 108.362 108.800 0.316 0.000 2.324 256 G HA2 0.536 4.454 3.960 -0.070 0.000 0.293 256 G HA3 0.536 4.454 3.960 -0.070 0.000 0.293 256 G C -1.834 173.246 174.900 0.299 0.000 1.297 256 G CA 0.013 45.270 45.100 0.263 0.000 0.853 256 G HN 1.700 nan 8.290 nan 0.000 0.535 257 V N 1.648 121.711 119.914 0.248 0.000 2.432 257 V HA 0.372 4.450 4.120 -0.070 0.000 0.271 257 V C 1.100 177.362 176.094 0.280 0.000 1.046 257 V CA -0.182 62.296 62.300 0.297 0.000 0.945 257 V CB 0.989 32.973 31.823 0.268 0.000 0.992 257 V HN 0.655 nan 8.190 nan 0.000 0.471 258 M N 4.030 123.808 119.600 0.295 0.000 2.260 258 M HA 0.085 4.523 4.480 -0.070 0.000 0.348 258 M C 0.587 177.045 176.300 0.265 0.000 1.342 258 M CA 0.335 55.790 55.300 0.258 0.000 1.040 258 M CB 0.004 32.734 32.600 0.217 0.000 1.810 258 M HN 0.546 nan 8.290 nan 0.000 0.453 259 E N 2.488 122.814 120.200 0.209 0.000 2.480 259 E HA -0.106 4.202 4.350 -0.070 0.000 0.258 259 E C 0.507 177.202 176.600 0.157 0.000 0.984 259 E CA 0.219 56.712 56.400 0.156 0.000 0.930 259 E CB 0.819 30.597 29.700 0.130 0.000 0.936 259 E HN 0.500 nan 8.360 nan 0.000 0.466 260 Q N 3.029 122.895 119.800 0.110 0.000 2.170 260 Q HA -0.215 4.083 4.340 -0.070 0.000 0.203 260 Q C 1.852 177.904 176.000 0.087 0.000 0.976 260 Q CA 1.669 57.555 55.803 0.139 0.000 0.858 260 Q CB -0.032 28.758 28.738 0.086 0.000 0.907 260 Q HN 0.599 nan 8.270 nan 0.000 0.433 261 Q N -0.535 119.305 119.800 0.066 0.000 2.135 261 Q HA -0.174 4.124 4.340 -0.070 0.000 0.204 261 Q C 2.007 178.079 176.000 0.121 0.000 0.981 261 Q CA 1.415 57.262 55.803 0.073 0.000 0.856 261 Q CB -0.200 28.576 28.738 0.063 0.000 0.902 261 Q HN 0.570 nan 8.270 nan 0.000 0.425 262 L N -0.190 121.118 121.223 0.141 0.000 2.027 262 L HA -0.149 4.149 4.340 -0.070 0.000 0.206 262 L C 2.163 179.146 176.870 0.189 0.000 1.074 262 L CA 1.028 55.983 54.840 0.191 0.000 0.745 262 L CB -0.237 41.928 42.059 0.178 0.000 0.898 262 L HN 0.116 nan 8.230 nan 0.000 0.433 263 V N 0.839 120.839 119.914 0.143 0.000 2.407 263 V HA -0.268 3.811 4.120 -0.070 0.000 0.248 263 V C 2.292 178.432 176.094 0.077 0.000 1.055 263 V CA 1.953 64.315 62.300 0.104 0.000 1.049 263 V CB -0.929 30.973 31.823 0.132 0.000 0.662 263 V HN 0.525 nan 8.190 nan 0.000 0.455 264 N N 0.766 119.516 118.700 0.083 0.000 2.142 264 N HA -0.126 4.572 4.740 -0.070 0.000 0.186 264 N C 2.131 177.704 175.510 0.104 0.000 1.023 264 N CA 1.800 54.885 53.050 0.058 0.000 0.852 264 N CB -0.564 37.937 38.487 0.023 0.000 0.998 264 N HN 0.625 nan 8.380 nan 0.000 0.424 265 S N -0.113 115.697 115.700 0.182 0.000 2.442 265 S HA 0.055 4.483 4.470 -0.070 0.000 0.236 265 S C 1.785 176.606 174.600 0.367 0.000 1.007 265 S CA 0.887 59.274 58.200 0.311 0.000 0.965 265 S CB -0.170 63.282 63.200 0.421 0.000 0.773 265 S HN 0.312 nan 8.310 nan 0.000 0.504 266 A N 0.464 123.335 122.820 0.086 0.000 2.218 266 A HA 0.594 4.872 4.320 -0.070 0.000 0.209 266 A C 1.718 179.236 177.584 -0.109 0.000 1.168 266 A CA 0.551 52.338 52.037 -0.417 0.000 0.804 266 A CB -0.746 17.838 19.000 -0.694 0.000 0.834 266 A HN 1.515 nan 8.150 nan 0.000 0.482 267 G N -2.446 106.354 108.800 -0.001 0.000 2.184 267 G HA2 0.122 4.041 3.960 -0.070 0.000 0.206 267 G HA3 0.122 4.041 3.960 -0.070 0.000 0.206 267 G C 0.455 175.343 174.900 -0.020 0.000 0.995 267 G CA 0.044 45.145 45.100 0.001 0.000 0.651 267 G HN 1.506 nan 8.290 nan 0.000 0.511 268 A N 1.152 123.963 122.820 -0.015 0.000 3.213 268 A HA 0.568 4.846 4.320 -0.070 0.000 0.308 268 A C 1.716 179.324 177.584 0.040 0.000 1.177 268 A CA 0.836 52.874 52.037 0.003 0.000 1.010 268 A CB -0.067 18.928 19.000 -0.009 0.000 1.092 268 A HN 0.578 nan 8.150 nan 0.000 0.583 269 Q N 0.714 120.531 119.800 0.028 0.000 2.508 269 Q HA -0.166 4.132 4.340 -0.070 0.000 0.214 269 Q C -0.121 175.908 176.000 0.048 0.000 0.979 269 Q CA 1.388 57.193 55.803 0.004 0.000 0.911 269 Q CB -0.323 28.400 28.738 -0.024 0.000 0.969 269 Q HN 0.769 nan 8.270 nan 0.000 0.504 270 D N -0.328 120.146 120.400 0.122 0.000 2.402 270 D HA 0.125 4.723 4.640 -0.070 0.000 0.216 270 D C 0.064 176.510 176.300 0.243 0.000 1.128 270 D CA -0.235 53.896 54.000 0.218 0.000 0.833 270 D CB 0.389 41.272 40.800 0.137 0.000 0.971 270 D HN -0.074 nan 8.370 nan 0.000 0.503 271 R N 0.379 121.024 120.500 0.242 0.000 2.888 271 R HA 0.651 4.950 4.340 -0.070 0.000 0.266 271 R C -0.717 175.731 176.300 0.247 0.000 1.020 271 R CA -0.906 55.295 56.100 0.170 0.000 0.963 271 R CB 2.062 32.400 30.300 0.063 0.000 1.197 271 R HN 0.118 nan 8.270 nan 0.000 0.481 272 I N -0.440 120.204 120.570 0.122 0.000 2.647 272 I HA 0.750 4.878 4.170 -0.070 0.000 0.295 272 I C -0.610 175.585 176.117 0.131 0.000 1.078 272 I CA -0.391 60.970 61.300 0.101 0.000 1.048 272 I CB 2.335 40.244 38.000 -0.151 0.000 1.239 272 I HN 0.704 nan 8.210 nan 0.000 0.421 273 G N 5.704 114.596 108.800 0.153 0.000 2.687 273 G HA2 0.492 4.411 3.960 -0.070 0.000 0.291 273 G HA3 0.492 4.411 3.960 -0.070 0.000 0.291 273 G C -2.132 172.919 174.900 0.252 0.000 1.420 273 G CA -0.746 44.427 45.100 0.123 0.000 0.796 273 G HN 0.793 nan 8.290 nan 0.000 0.485 274 W N -1.156 120.249 121.300 0.175 0.000 2.902 274 W HA 0.841 5.455 4.660 -0.076 0.000 0.346 274 W C -0.586 175.986 176.519 0.089 0.000 1.139 274 W CA -1.151 56.298 57.345 0.174 0.000 1.139 274 W CB 1.709 31.313 29.460 0.240 0.000 1.439 274 W HN 1.116 nan 8.180 nan 0.000 0.558 275 A N 1.979 125.208 122.820 0.682 0.000 2.606 275 A HA 0.911 5.190 4.320 -0.070 0.000 0.293 275 A C -1.893 175.953 177.584 0.436 0.000 1.082 275 A CA -0.736 51.564 52.037 0.438 0.000 0.685 275 A CB 1.878 20.984 19.000 0.177 0.000 1.284 275 A HN 1.024 nan 8.150 nan 0.000 0.408 276 F N -1.180 118.925 119.950 0.257 0.000 2.668 276 F HA 0.859 5.342 4.527 -0.074 0.000 0.309 276 F C -0.165 175.700 175.800 0.108 0.000 1.117 276 F CA -0.937 57.152 58.000 0.149 0.000 0.951 276 F CB 1.338 40.406 39.000 0.113 0.000 1.323 276 F HN 1.030 nan 8.300 nan 0.000 0.451 277 G N 2.241 111.306 108.800 0.442 0.000 2.737 277 G HA2 0.621 4.539 3.960 -0.070 0.000 0.290 277 G HA3 0.621 4.539 3.960 -0.070 0.000 0.290 277 G C -1.996 173.091 174.900 0.312 0.000 1.482 277 G CA -0.893 44.389 45.100 0.305 0.000 1.017 277 G HN 0.943 nan 8.290 nan 0.000 0.529 278 L N 1.091 122.506 121.223 0.320 0.000 2.331 278 L HA 0.948 5.246 4.340 -0.070 0.000 0.275 278 L C 0.502 177.482 176.870 0.182 0.000 1.022 278 L CA -1.317 53.649 54.840 0.210 0.000 0.812 278 L CB 1.750 43.910 42.059 0.168 0.000 1.257 278 L HN 0.422 nan 8.230 nan 0.000 0.435 279 G N 2.376 111.261 108.800 0.141 0.000 2.338 279 G HA2 0.430 4.348 3.960 -0.070 0.000 0.295 279 G HA3 0.430 4.348 3.960 -0.070 0.000 0.295 279 G C 0.589 175.540 174.900 0.085 0.000 1.132 279 G CA -0.566 44.618 45.100 0.142 0.000 0.922 279 G HN 0.815 nan 8.290 nan 0.000 0.427 280 L N 1.893 123.174 121.223 0.096 0.000 2.027 280 L HA -0.079 4.219 4.340 -0.070 0.000 0.206 280 L C 2.737 179.554 176.870 -0.088 0.000 1.074 280 L CA 1.129 55.976 54.840 0.011 0.000 0.745 280 L CB -0.213 41.850 42.059 0.006 0.000 0.898 280 L HN 0.444 nan 8.230 nan 0.000 0.433 281 E N -0.060 120.059 120.200 -0.135 0.000 2.051 281 E HA -0.242 4.066 4.350 -0.070 0.000 0.192 281 E C 2.153 178.727 176.600 -0.043 0.000 0.991 281 E CA 1.030 57.267 56.400 -0.271 0.000 0.799 281 E CB -0.131 29.446 29.700 -0.205 0.000 0.748 281 E HN 0.151 nan 8.360 nan 0.000 0.449 282 R N 0.384 120.857 120.500 -0.046 0.000 2.096 282 R HA -0.142 4.157 4.340 -0.070 0.000 0.240 282 R C 2.033 178.298 176.300 -0.058 0.000 1.139 282 R CA 1.163 57.231 56.100 -0.053 0.000 0.952 282 R CB -0.789 29.472 30.300 -0.064 0.000 0.854 282 R HN 0.199 nan 8.270 nan 0.000 0.436 283 L N -0.060 121.145 121.223 -0.029 0.000 2.056 283 L HA 0.060 4.358 4.340 -0.070 0.000 0.207 283 L C 2.167 179.007 176.870 -0.051 0.000 1.078 283 L CA 2.148 56.993 54.840 0.008 0.000 0.749 283 L CB -0.926 41.154 42.059 0.036 0.000 0.901 283 L HN 0.321 nan 8.230 nan 0.000 0.433 284 A N -1.226 121.564 122.820 -0.049 0.000 1.930 284 A HA -0.212 4.066 4.320 -0.070 0.000 0.217 284 A C 2.255 179.872 177.584 0.056 0.000 1.175 284 A CA 1.868 53.899 52.037 -0.011 0.000 0.627 284 A CB -0.507 18.616 19.000 0.204 0.000 0.815 284 A HN 0.467 nan 8.150 nan 0.000 0.443 285 M N -0.782 118.879 119.600 0.102 0.000 2.296 285 M HA -0.022 4.416 4.480 -0.070 0.000 0.265 285 M C 1.802 177.966 176.300 -0.225 0.000 1.064 285 M CA 1.179 56.498 55.300 0.031 0.000 1.109 285 M CB -0.320 32.322 32.600 0.070 0.000 1.396 285 M HN 0.409 nan 8.290 nan 0.000 0.430 286 I N -0.737 119.596 120.570 -0.396 0.000 2.339 286 I HA -0.198 3.931 4.170 -0.070 0.000 0.245 286 I C 2.253 178.130 176.117 -0.400 0.000 1.096 286 I CA 0.488 61.262 61.300 -0.876 0.000 1.408 286 I CB -0.254 37.307 38.000 -0.733 0.000 1.092 286 I HN 0.214 nan 8.210 nan 0.000 0.423 287 L N 0.453 121.529 121.223 -0.246 0.000 2.046 287 L HA -0.197 4.101 4.340 -0.070 0.000 0.208 287 L C 1.756 178.385 176.870 -0.402 0.000 1.077 287 L CA 2.173 56.718 54.840 -0.493 0.000 0.747 287 L CB -0.520 40.867 42.059 -1.120 0.000 0.896 287 L HN 0.200 nan 8.230 nan 0.000 0.432 288 Y N -1.095 119.200 120.300 -0.009 0.000 2.467 288 Y HA 0.256 4.765 4.550 -0.068 0.000 0.250 288 Y C 0.811 176.783 175.900 0.120 0.000 1.155 288 Y CA -0.593 57.547 58.100 0.067 0.000 1.249 288 Y CB -0.348 38.147 38.460 0.060 0.000 1.146 288 Y HN 0.163 nan 8.280 nan 0.000 0.524 289 D N 1.115 121.645 120.400 0.215 0.000 2.699 289 D HA -0.221 4.377 4.640 -0.070 0.000 0.239 289 D C -0.460 176.010 176.300 0.283 0.000 1.136 289 D CA 0.417 54.618 54.000 0.336 0.000 0.668 289 D CB -0.979 40.100 40.800 0.466 0.000 1.060 289 D HN 0.331 nan 8.370 nan 0.000 0.429 290 I N 1.498 122.113 120.570 0.075 0.000 2.379 290 I HA 0.085 4.213 4.170 -0.070 0.000 0.290 290 I C -0.516 175.639 176.117 0.063 0.000 1.063 290 I CA -1.528 59.738 61.300 -0.057 0.000 1.351 290 I CB 1.143 38.981 38.000 -0.270 0.000 1.410 290 I HN -0.045 nan 8.210 nan 0.000 0.505 291 P HA -0.108 nan 4.420 nan 0.000 0.219 291 P C 0.101 177.444 177.300 0.073 0.000 1.150 291 P CA 1.298 64.478 63.100 0.134 0.000 0.814 291 P CB 0.508 32.302 31.700 0.158 0.000 0.787 292 D N -0.959 119.440 120.400 -0.001 0.000 2.896 292 D HA 0.145 4.743 4.640 -0.070 0.000 0.241 292 D C 0.771 177.026 176.300 -0.075 0.000 1.188 292 D CA -0.730 53.265 54.000 -0.008 0.000 0.879 292 D CB 2.253 43.054 40.800 0.002 0.000 1.553 292 D HN -0.189 nan 8.370 nan 0.000 0.515 293 I N 3.509 124.106 120.570 0.045 0.000 2.423 293 I HA -0.213 3.915 4.170 -0.070 0.000 0.254 293 I C 2.050 178.207 176.117 0.067 0.000 1.151 293 I CA 0.980 62.385 61.300 0.176 0.000 1.421 293 I CB 0.193 38.332 38.000 0.231 0.000 1.079 293 I HN 0.326 nan 8.210 nan 0.000 0.431 294 R N 0.122 120.587 120.500 -0.058 0.000 2.193 294 R HA -0.117 4.181 4.340 -0.070 0.000 0.229 294 R C 2.120 178.335 176.300 -0.142 0.000 1.110 294 R CA 0.967 57.001 56.100 -0.111 0.000 0.988 294 R CB -0.234 30.037 30.300 -0.048 0.000 0.871 294 R HN 0.421 nan 8.270 nan 0.000 0.458 295 L N -0.431 120.574 121.223 -0.363 0.000 2.191 295 L HA -0.165 4.133 4.340 -0.070 0.000 0.212 295 L C 1.577 177.881 176.870 -0.943 0.000 1.103 295 L CA 1.069 55.442 54.840 -0.779 0.000 0.769 295 L CB -0.280 41.127 42.059 -1.087 0.000 0.908 295 L HN 0.133 nan 8.230 nan 0.000 0.438 296 F N -1.750 117.968 119.950 -0.386 0.000 2.365 296 F HA -0.166 4.319 4.527 -0.069 0.000 0.300 296 F C 1.456 177.063 175.800 -0.322 0.000 1.090 296 F CA 1.016 58.851 58.000 -0.276 0.000 1.408 296 F CB -0.440 38.418 39.000 -0.237 0.000 1.060 296 F HN 0.108 nan 8.300 nan 0.000 0.534 297 W N -0.893 120.425 121.300 0.030 0.000 3.220 297 W HA 0.268 4.886 4.660 -0.070 0.000 0.328 297 W C 0.929 177.469 176.519 0.035 0.000 1.205 297 W CA -0.787 56.588 57.345 0.051 0.000 1.773 297 W CB -0.611 28.833 29.460 -0.028 0.000 1.086 297 W HN -0.096 nan 8.180 nan 0.000 0.622 298 C N -0.501 118.861 119.300 0.103 0.000 2.362 298 C HA 0.451 4.869 4.460 -0.070 0.000 0.363 298 C C 1.016 176.094 174.990 0.146 0.000 1.220 298 C CA -0.407 58.669 59.018 0.098 0.000 2.379 298 C CB 1.208 28.952 27.740 0.006 0.000 2.351 298 C HN 0.410 nan 8.230 nan 0.000 0.582 299 E N -0.313 119.982 120.200 0.158 0.000 2.558 299 E HA 0.098 4.407 4.350 -0.070 0.000 0.205 299 E C -0.505 176.193 176.600 0.163 0.000 1.006 299 E CA -0.157 56.342 56.400 0.166 0.000 0.961 299 E CB 0.100 29.883 29.700 0.138 0.000 1.044 299 E HN 0.694 nan 8.360 nan 0.000 0.465 300 D N 1.952 122.459 120.400 0.179 0.000 2.382 300 D HA -0.061 4.537 4.640 -0.070 0.000 0.259 300 D C 0.993 177.413 176.300 0.200 0.000 1.224 300 D CA 0.350 54.454 54.000 0.173 0.000 0.894 300 D CB 0.910 41.821 40.800 0.184 0.000 1.127 300 D HN 0.001 nan 8.370 nan 0.000 0.487 301 E N 3.808 124.086 120.200 0.130 0.000 2.160 301 E HA -0.189 4.119 4.350 -0.070 0.000 0.195 301 E C 1.827 178.482 176.600 0.091 0.000 0.991 301 E CA 0.710 57.167 56.400 0.095 0.000 0.810 301 E CB 0.057 29.785 29.700 0.047 0.000 0.742 301 E HN 0.573 nan 8.360 nan 0.000 0.466 302 R N -0.627 119.938 120.500 0.108 0.000 2.139 302 R HA -0.168 4.130 4.340 -0.070 0.000 0.243 302 R C 2.159 178.540 176.300 0.136 0.000 1.145 302 R CA 1.448 57.599 56.100 0.086 0.000 0.976 302 R CB -0.292 30.069 30.300 0.101 0.000 0.866 302 R HN 0.167 nan 8.270 nan 0.000 0.449 303 F N 0.523 120.535 119.950 0.103 0.000 2.222 303 F HA 0.069 4.554 4.527 -0.070 0.000 0.285 303 F C 1.827 177.778 175.800 0.253 0.000 1.068 303 F CA 0.794 58.928 58.000 0.223 0.000 1.265 303 F CB -0.311 38.814 39.000 0.207 0.000 1.087 303 F HN -0.198 nan 8.300 nan 0.000 0.511 304 L N 1.361 122.658 121.223 0.123 0.000 2.046 304 L HA -0.245 4.053 4.340 -0.070 0.000 0.208 304 L C 2.591 179.444 176.870 -0.028 0.000 1.077 304 L CA 1.979 56.835 54.840 0.026 0.000 0.747 304 L CB -1.000 41.140 42.059 0.136 0.000 0.896 304 L HN 0.245 nan 8.230 nan 0.000 0.432 305 K N 0.283 120.652 120.400 -0.052 0.000 2.152 305 K HA -0.247 4.031 4.320 -0.070 0.000 0.206 305 K C 1.776 178.257 176.600 -0.197 0.000 1.048 305 K CA 1.553 57.776 56.287 -0.107 0.000 0.933 305 K CB -0.387 32.061 32.500 -0.087 0.000 0.721 305 K HN 0.427 nan 8.250 nan 0.000 0.447 306 Q N -0.281 119.331 119.800 -0.313 0.000 2.364 306 Q HA -0.072 4.226 4.340 -0.070 0.000 0.209 306 Q C 0.719 176.279 176.000 -0.733 0.000 0.977 306 Q CA 1.007 56.487 55.803 -0.539 0.000 0.885 306 Q CB -0.047 28.280 28.738 -0.685 0.000 0.941 306 Q HN 0.416 nan 8.270 nan 0.000 0.464 307 F N -1.314 118.479 119.950 -0.261 0.000 2.664 307 F HA 0.151 4.636 4.527 -0.070 0.000 0.303 307 F C 0.367 176.116 175.800 -0.087 0.000 1.092 307 F CA -0.596 57.269 58.000 -0.226 0.000 1.305 307 F CB 0.588 39.393 39.000 -0.324 0.000 1.054 307 F HN -0.103 nan 8.300 nan 0.000 0.565 308 C N 3.187 122.448 119.300 -0.066 0.000 2.145 308 C HA 0.543 4.961 4.460 -0.070 0.000 0.374 308 C C 0.839 175.764 174.990 -0.109 0.000 1.035 308 C CA -1.268 57.615 59.018 -0.226 0.000 1.431 308 C CB -1.708 25.769 27.740 -0.437 0.000 1.789 308 C HN 0.186 nan 8.230 nan 0.000 0.483 309 V N 1.695 121.655 119.914 0.077 0.000 2.966 309 V HA 0.552 4.630 4.120 -0.070 0.000 0.317 309 V C 0.837 177.002 176.094 0.118 0.000 1.070 309 V CA -0.261 62.084 62.300 0.074 0.000 1.008 309 V CB 1.325 33.210 31.823 0.103 0.000 1.070 309 V HN 0.570 nan 8.190 nan 0.000 0.457 310 S N 1.578 117.323 115.700 0.075 0.000 2.355 310 S HA -0.048 4.380 4.470 -0.070 0.000 0.222 310 S C 0.786 175.456 174.600 0.117 0.000 1.031 310 S CA 1.505 59.754 58.200 0.081 0.000 0.993 310 S CB -0.510 62.718 63.200 0.047 0.000 0.859 310 S HN 1.036 nan 8.310 nan 0.000 0.453 311 N N 0.419 119.184 118.700 0.109 0.000 2.229 311 N HA 0.221 4.920 4.740 -0.070 0.000 0.298 311 N C 0.613 176.192 175.510 0.116 0.000 1.114 311 N CA -0.635 52.481 53.050 0.111 0.000 0.776 311 N CB 1.390 39.924 38.487 0.077 0.000 1.501 311 N HN 0.246 nan 8.380 nan 0.000 0.474 312 I N -1.932 118.702 120.570 0.107 0.000 2.657 312 I HA -0.152 3.976 4.170 -0.070 0.000 0.261 312 I C 0.393 176.545 176.117 0.058 0.000 1.212 312 I CA 1.091 62.436 61.300 0.074 0.000 1.453 312 I CB -0.379 37.607 38.000 -0.023 0.000 1.092 312 I HN 0.302 nan 8.210 nan 0.000 0.452 313 N N 1.336 120.070 118.700 0.056 0.000 2.398 313 N HA -0.035 4.663 4.740 -0.070 0.000 0.188 313 N C 0.521 176.049 175.510 0.030 0.000 1.122 313 N CA 0.234 53.305 53.050 0.034 0.000 0.866 313 N CB 0.063 38.577 38.487 0.046 0.000 0.970 313 N HN 0.601 nan 8.380 nan 0.000 0.462 314 Q N 2.060 121.887 119.800 0.046 0.000 2.300 314 Q HA 0.025 4.324 4.340 -0.070 0.000 0.262 314 Q C -0.245 175.776 176.000 0.034 0.000 1.109 314 Q CA -0.030 55.794 55.803 0.035 0.000 0.905 314 Q CB 0.353 29.115 28.738 0.039 0.000 1.280 314 Q HN -0.021 nan 8.270 nan 0.000 0.426 315 K N 3.468 123.882 120.400 0.022 0.000 2.419 315 K HA 0.021 4.299 4.320 -0.070 0.000 0.282 315 K C -0.544 176.073 176.600 0.027 0.000 1.056 315 K CA -0.143 56.163 56.287 0.032 0.000 1.035 315 K CB 0.483 32.992 32.500 0.016 0.000 0.921 315 K HN 0.485 nan 8.250 nan 0.000 0.472 316 V N 4.955 124.900 119.914 0.051 0.000 2.461 316 V HA 0.209 4.287 4.120 -0.070 0.000 0.275 316 V C -0.822 175.281 176.094 0.014 0.000 1.047 316 V CA -0.419 61.856 62.300 -0.041 0.000 0.955 316 V CB 0.814 32.520 31.823 -0.195 0.000 0.988 316 V HN 0.638 nan 8.190 nan 0.000 0.471 317 K N 7.364 127.741 120.400 -0.037 0.000 2.229 317 K HA 0.339 4.617 4.320 -0.070 0.000 0.247 317 K C -0.552 176.032 176.600 -0.028 0.000 1.117 317 K CA -0.262 56.029 56.287 0.006 0.000 1.036 317 K CB 0.211 32.698 32.500 -0.023 0.000 1.654 317 K HN 0.670 nan 8.250 nan 0.000 0.405 318 F N 2.565 122.451 119.950 -0.106 0.000 2.590 318 F HA -0.038 4.447 4.527 -0.069 0.000 0.389 318 F C 0.281 176.048 175.800 -0.055 0.000 1.049 318 F CA 0.423 58.332 58.000 -0.152 0.000 1.199 318 F CB 0.469 39.456 39.000 -0.022 0.000 1.058 318 F HN 0.340 nan 8.300 nan 0.000 0.556 319 Q N 8.406 127.698 119.800 -0.846 0.000 2.398 319 Q HA 0.285 4.583 4.340 -0.070 0.000 0.251 319 Q C -2.265 173.178 176.000 -0.928 0.000 0.999 319 Q CA -1.949 53.480 55.803 -0.622 0.000 0.874 319 Q CB 1.230 29.730 28.738 -0.397 0.000 1.215 319 Q HN 0.430 nan 8.270 nan 0.000 0.470 320 P HA -0.038 nan 4.420 nan 0.000 0.266 320 P C -0.349 176.860 177.300 -0.152 0.000 1.195 320 P CA -0.111 62.863 63.100 -0.211 0.000 0.768 320 P CB 0.499 32.230 31.700 0.052 0.000 0.838 321 L N 1.792 123.008 121.223 -0.012 0.000 2.475 321 L HA 0.178 4.476 4.340 -0.070 0.000 0.253 321 L C 0.947 177.793 176.870 -0.040 0.000 1.198 321 L CA 0.516 55.361 54.840 0.009 0.000 0.814 321 L CB -0.093 42.044 42.059 0.130 0.000 1.134 321 L HN 0.335 nan 8.230 nan 0.000 0.478 322 S N 0.081 115.712 115.700 -0.115 0.000 2.584 322 S HA 0.199 4.627 4.470 -0.070 0.000 0.270 322 S C -0.065 174.287 174.600 -0.414 0.000 1.346 322 S CA -0.432 57.601 58.200 -0.277 0.000 1.018 322 S CB 0.379 63.344 63.200 -0.392 0.000 0.899 322 S HN 0.393 nan 8.310 nan 0.000 0.542 323 K N 1.560 121.734 120.400 -0.376 0.000 2.265 323 K HA 0.342 4.620 4.320 -0.070 0.000 0.267 323 K C -1.543 174.836 176.600 -0.369 0.000 0.994 323 K CA -0.414 55.713 56.287 -0.266 0.000 0.860 323 K CB 0.453 32.903 32.500 -0.083 0.000 1.099 323 K HN 0.511 nan 8.250 nan 0.000 0.448 324 Y N 3.403 123.740 120.300 0.062 0.000 2.316 324 Y HA 0.273 4.781 4.550 -0.070 0.000 0.324 324 Y C -1.803 174.133 175.900 0.060 0.000 1.267 324 Y CA -2.237 55.897 58.100 0.057 0.000 1.311 324 Y CB 0.193 38.694 38.460 0.069 0.000 1.267 324 Y HN 0.574 nan 8.280 nan 0.000 0.516 325 P HA 0.190 nan 4.420 nan 0.000 0.269 325 P C -1.057 176.330 177.300 0.144 0.000 1.215 325 P CA -0.032 63.145 63.100 0.128 0.000 0.780 325 P CB 0.640 32.402 31.700 0.103 0.000 0.898 326 A N 1.951 124.842 122.820 0.117 0.000 2.299 326 A HA 0.678 4.956 4.320 -0.070 0.000 0.332 326 A C -0.949 176.706 177.584 0.119 0.000 1.131 326 A CA -0.553 51.564 52.037 0.133 0.000 0.844 326 A CB 0.981 20.053 19.000 0.119 0.000 1.251 326 A HN 0.337 nan 8.150 nan 0.000 0.486 327 V N 2.107 122.116 119.914 0.158 0.000 2.531 327 V HA 0.375 4.453 4.120 -0.070 0.000 0.301 327 V C -0.916 175.302 176.094 0.207 0.000 1.034 327 V CA -0.426 61.951 62.300 0.129 0.000 0.865 327 V CB 1.394 33.255 31.823 0.063 0.000 0.995 327 V HN 0.649 nan 8.190 nan 0.000 0.424 328 I N 4.794 125.440 120.570 0.126 0.000 2.404 328 I HA 0.585 4.713 4.170 -0.070 0.000 0.293 328 I C -0.378 175.782 176.117 0.072 0.000 0.992 328 I CA -0.464 60.909 61.300 0.121 0.000 1.149 328 I CB 1.769 39.815 38.000 0.076 0.000 1.315 328 I HN 0.573 nan 8.210 nan 0.000 0.446 329 N N 4.333 123.078 118.700 0.075 0.000 2.235 329 N HA 0.406 5.104 4.740 -0.070 0.000 0.293 329 N C -1.183 174.379 175.510 0.087 0.000 1.083 329 N CA -0.625 52.387 53.050 -0.063 0.000 0.801 329 N CB 2.483 40.635 38.487 -0.558 0.000 1.559 329 N HN 0.407 nan 8.380 nan 0.000 0.472 330 D N 0.997 121.477 120.400 0.134 0.000 2.268 330 D HA 0.504 5.102 4.640 -0.070 0.000 0.249 330 D C -0.184 176.334 176.300 0.363 0.000 1.008 330 D CA -0.192 53.938 54.000 0.218 0.000 0.939 330 D CB 2.209 43.083 40.800 0.123 0.000 1.170 330 D HN 0.390 nan 8.370 nan 0.000 0.468 331 I N 0.126 120.883 120.570 0.311 0.000 2.548 331 I HA 0.244 4.372 4.170 -0.070 0.000 0.287 331 I C -1.388 174.714 176.117 -0.026 0.000 1.103 331 I CA -0.108 61.375 61.300 0.305 0.000 1.049 331 I CB 1.109 39.339 38.000 0.382 0.000 1.232 331 I HN 0.111 nan 8.210 nan 0.000 0.429 332 S N 6.957 122.610 115.700 -0.078 0.000 2.532 332 S HA 0.903 5.331 4.470 -0.070 0.000 0.301 332 S C -1.107 173.182 174.600 -0.519 0.000 1.083 332 S CA -0.440 57.495 58.200 -0.442 0.000 1.025 332 S CB 1.690 64.713 63.200 -0.295 0.000 1.056 332 S HN 0.534 nan 8.310 nan 0.000 0.494 333 F N -1.809 117.880 119.950 -0.434 0.000 2.741 333 F HA 0.652 5.137 4.527 -0.070 0.000 0.311 333 F C -2.297 173.160 175.800 -0.571 0.000 1.149 333 F CA -2.308 55.382 58.000 -0.517 0.000 0.930 333 F CB 0.310 39.096 39.000 -0.357 0.000 1.312 333 F HN 0.523 nan 8.300 nan 0.000 0.450 334 W N 2.609 123.922 121.300 0.023 0.000 2.338 334 W HA 0.666 5.284 4.660 -0.070 0.000 0.307 334 W C -0.694 175.724 176.519 -0.169 0.000 1.167 334 W CA -0.659 56.620 57.345 -0.110 0.000 1.208 334 W CB 1.082 30.458 29.460 -0.139 0.000 1.228 334 W HN 0.272 nan 8.180 nan 0.000 0.499 335 L N 5.987 127.165 121.223 -0.074 0.000 2.461 335 L HA 0.198 4.496 4.340 -0.070 0.000 0.272 335 L C -1.673 175.114 176.870 -0.137 0.000 1.197 335 L CA -1.598 53.042 54.840 -0.334 0.000 0.836 335 L CB -0.463 41.267 42.059 -0.550 0.000 1.105 335 L HN 0.159 nan 8.230 nan 0.000 0.477 336 P HA 0.046 nan 4.420 nan 0.000 0.269 336 P C -0.577 176.706 177.300 -0.029 0.000 1.209 336 P CA -0.148 62.924 63.100 -0.048 0.000 0.776 336 P CB 0.382 32.073 31.700 -0.016 0.000 0.876 337 S N 3.314 118.997 115.700 -0.028 0.000 2.808 337 S HA -0.058 4.370 4.470 -0.070 0.000 0.342 337 S C 0.291 174.888 174.600 -0.006 0.000 1.154 337 S CA 0.472 58.661 58.200 -0.019 0.000 1.476 337 S CB -1.379 61.803 63.200 -0.029 0.000 1.290 337 S HN 0.501 nan 8.310 nan 0.000 0.582 338 E N 0.958 121.161 120.200 0.004 0.000 2.416 338 E HA -0.220 4.088 4.350 -0.070 0.000 0.249 338 E C -0.971 175.640 176.600 0.019 0.000 1.124 338 E CA 0.197 56.605 56.400 0.014 0.000 0.732 338 E CB -1.607 28.098 29.700 0.009 0.000 1.286 338 E HN 0.692 nan 8.360 nan 0.000 0.394 339 N N 0.604 119.326 118.700 0.036 0.000 2.664 339 N HA 0.481 5.179 4.740 -0.070 0.000 0.268 339 N C -1.596 173.991 175.510 0.127 0.000 1.222 339 N CA -0.508 52.570 53.050 0.046 0.000 0.805 339 N CB 1.049 39.547 38.487 0.019 0.000 1.399 339 N HN 0.296 nan 8.380 nan 0.000 0.547 340 Y N 1.114 121.376 120.300 -0.063 0.000 2.673 340 Y HA 0.570 5.078 4.550 -0.070 0.000 0.357 340 Y C -2.058 173.808 175.900 -0.058 0.000 1.211 340 Y CA -0.946 57.108 58.100 -0.076 0.000 1.307 340 Y CB 0.655 39.048 38.460 -0.113 0.000 1.384 340 Y HN 0.468 nan 8.280 nan 0.000 0.499 341 A N 4.236 126.625 122.820 -0.718 0.000 2.455 341 A HA 0.501 4.780 4.320 -0.070 0.000 0.300 341 A C 0.267 177.420 177.584 -0.719 0.000 1.040 341 A CA -0.155 51.608 52.037 -0.457 0.000 0.697 341 A CB 1.778 20.624 19.000 -0.256 0.000 1.265 341 A HN 0.977 nan 8.150 nan 0.000 0.407 342 E N 1.364 121.398 120.200 -0.276 0.000 2.058 342 E HA -0.228 4.080 4.350 -0.070 0.000 0.194 342 E C 1.013 177.272 176.600 -0.569 0.000 0.997 342 E CA 1.840 58.099 56.400 -0.235 0.000 0.801 342 E CB -0.005 29.747 29.700 0.088 0.000 0.746 342 E HN 0.727 nan 8.360 nan 0.000 0.450 343 N N 1.046 119.619 118.700 -0.211 0.000 2.443 343 N HA -0.129 4.569 4.740 -0.070 0.000 0.184 343 N C 1.013 176.446 175.510 -0.128 0.000 1.037 343 N CA 0.997 54.038 53.050 -0.015 0.000 0.896 343 N CB -0.211 38.312 38.487 0.059 0.000 0.959 343 N HN 0.246 nan 8.380 nan 0.000 0.442 344 D N -0.093 120.152 120.400 -0.258 0.000 2.117 344 D HA -0.117 4.482 4.640 -0.070 0.000 0.198 344 D C 1.626 177.827 176.300 -0.165 0.000 0.982 344 D CA 0.511 54.380 54.000 -0.218 0.000 0.828 344 D CB -0.461 40.145 40.800 -0.322 0.000 0.967 344 D HN 0.218 nan 8.370 nan 0.000 0.464 345 F N 0.735 120.433 119.950 -0.419 0.000 2.186 345 F HA -0.214 4.271 4.527 -0.070 0.000 0.299 345 F C 1.818 177.512 175.800 -0.177 0.000 1.090 345 F CA 1.070 58.897 58.000 -0.290 0.000 1.307 345 F CB -0.432 38.377 39.000 -0.318 0.000 1.019 345 F HN -0.092 nan 8.300 nan 0.000 0.489 346 Y N 0.587 120.757 120.300 -0.217 0.000 2.274 346 Y HA -0.192 4.316 4.550 -0.070 0.000 0.290 346 Y C 2.475 178.231 175.900 -0.239 0.000 1.145 346 Y CA 1.095 59.027 58.100 -0.280 0.000 1.203 346 Y CB -1.292 37.099 38.460 -0.115 0.000 0.984 346 Y HN 0.131 nan 8.280 nan 0.000 0.533 347 D N -0.427 119.963 120.400 -0.017 0.000 2.149 347 D HA -0.121 4.477 4.640 -0.070 0.000 0.201 347 D C 2.232 178.487 176.300 -0.074 0.000 0.972 347 D CA 0.740 54.732 54.000 -0.013 0.000 0.835 347 D CB -0.220 40.602 40.800 0.036 0.000 0.966 347 D HN 0.259 nan 8.370 nan 0.000 0.476 348 L N 0.676 121.822 121.223 -0.127 0.000 2.093 348 L HA -0.115 4.183 4.340 -0.070 0.000 0.208 348 L C 2.214 178.983 176.870 -0.168 0.000 1.085 348 L CA 1.127 55.894 54.840 -0.122 0.000 0.755 348 L CB -0.267 41.736 42.059 -0.094 0.000 0.904 348 L HN -0.163 nan 8.230 nan 0.000 0.435 349 V N -0.331 119.397 119.914 -0.311 0.000 2.358 349 V HA -0.197 3.881 4.120 -0.070 0.000 0.246 349 V C 2.747 178.766 176.094 -0.125 0.000 1.047 349 V CA 1.438 63.578 62.300 -0.267 0.000 1.035 349 V CB -0.708 30.872 31.823 -0.405 0.000 0.658 349 V HN 0.412 nan 8.190 nan 0.000 0.452 350 R N -0.093 120.336 120.500 -0.118 0.000 2.120 350 R HA -0.093 4.205 4.340 -0.070 0.000 0.234 350 R C 2.291 178.552 176.300 -0.064 0.000 1.123 350 R CA 1.700 57.744 56.100 -0.094 0.000 0.975 350 R CB -1.102 29.122 30.300 -0.127 0.000 0.866 350 R HN 0.494 nan 8.270 nan 0.000 0.446 351 T N 1.525 116.045 114.554 -0.058 0.000 2.812 351 T HA 0.030 4.338 4.350 -0.070 0.000 0.264 351 T C 1.893 176.590 174.700 -0.005 0.000 1.042 351 T CA 0.748 62.828 62.100 -0.033 0.000 1.140 351 T CB 0.091 68.942 68.868 -0.029 0.000 0.870 351 T HN 0.020 nan 8.240 nan 0.000 0.445 352 I N 0.876 121.447 120.570 0.001 0.000 2.429 352 I HA 0.118 4.246 4.170 -0.070 0.000 0.247 352 I C 2.808 178.969 176.117 0.072 0.000 1.099 352 I CA 1.188 62.511 61.300 0.038 0.000 1.422 352 I CB -1.522 36.507 38.000 0.048 0.000 1.112 352 I HN 0.288 nan 8.210 nan 0.000 0.430 353 G N 0.022 108.867 108.800 0.076 0.000 2.623 353 G HA2 0.234 4.152 3.960 -0.070 0.000 0.214 353 G HA3 0.234 4.152 3.960 -0.070 0.000 0.214 353 G C 1.195 176.151 174.900 0.094 0.000 1.138 353 G CA 0.648 45.830 45.100 0.136 0.000 0.794 353 G HN 0.550 nan 8.290 nan 0.000 0.535 354 G N 0.938 109.765 108.800 0.044 0.000 2.602 354 G HA2 -0.343 3.575 3.960 -0.070 0.000 0.306 354 G HA3 -0.343 3.575 3.960 -0.070 0.000 0.306 354 G C 0.474 175.402 174.900 0.047 0.000 1.301 354 G CA 0.456 45.578 45.100 0.037 0.000 0.974 354 G HN 0.237 nan 8.290 nan 0.000 0.547 355 D N 0.441 120.869 120.400 0.048 0.000 2.323 355 D HA 0.187 4.785 4.640 -0.070 0.000 0.239 355 D C 2.113 178.379 176.300 -0.056 0.000 1.129 355 D CA 0.017 54.033 54.000 0.027 0.000 0.865 355 D CB 0.348 41.160 40.800 0.019 0.000 0.913 355 D HN 0.175 nan 8.370 nan 0.000 0.517 356 L N -0.031 121.199 121.223 0.012 0.000 2.307 356 L HA 0.030 4.328 4.340 -0.070 0.000 0.211 356 L C 0.587 177.534 176.870 0.127 0.000 1.099 356 L CA 0.612 55.495 54.840 0.072 0.000 0.816 356 L CB 0.377 42.559 42.059 0.205 0.000 0.952 356 L HN -0.218 nan 8.230 nan 0.000 0.455 357 V N 0.026 119.976 119.914 0.060 0.000 2.461 357 V HA 0.054 4.132 4.120 -0.070 0.000 0.275 357 V C 1.286 177.369 176.094 -0.019 0.000 1.047 357 V CA -0.107 62.160 62.300 -0.054 0.000 0.955 357 V CB 1.363 33.109 31.823 -0.127 0.000 0.988 357 V HN 0.304 nan 8.190 nan 0.000 0.471 358 E N 4.266 124.451 120.200 -0.024 0.000 2.127 358 E HA 0.071 4.379 4.350 -0.070 0.000 0.191 358 E C 0.530 177.135 176.600 0.008 0.000 0.964 358 E CA 0.527 56.938 56.400 0.018 0.000 0.832 358 E CB 0.454 30.178 29.700 0.040 0.000 0.790 358 E HN 0.791 nan 8.360 nan 0.000 0.465 359 K N -1.212 119.171 120.400 -0.029 0.000 2.610 359 K HA 0.397 4.675 4.320 -0.070 0.000 0.278 359 K C -1.684 174.899 176.600 -0.028 0.000 0.964 359 K CA -0.885 55.388 56.287 -0.024 0.000 0.859 359 K CB 1.937 34.444 32.500 0.011 0.000 1.434 359 K HN -0.120 nan 8.250 nan 0.000 0.410 360 V N 1.602 121.506 119.914 -0.017 0.000 2.531 360 V HA 0.408 4.486 4.120 -0.070 0.000 0.301 360 V C -1.309 174.879 176.094 0.156 0.000 1.034 360 V CA -0.591 61.766 62.300 0.096 0.000 0.865 360 V CB 1.781 33.693 31.823 0.149 0.000 0.995 360 V HN 0.786 nan 8.190 nan 0.000 0.424 361 D N 3.230 123.769 120.400 0.233 0.000 2.502 361 D HA 0.399 4.997 4.640 -0.070 0.000 0.249 361 D C -0.669 175.792 176.300 0.268 0.000 1.092 361 D CA -0.384 53.740 54.000 0.207 0.000 0.839 361 D CB 2.443 43.308 40.800 0.109 0.000 1.264 361 D HN 0.417 nan 8.370 nan 0.000 0.511 362 L N 4.485 125.849 121.223 0.236 0.000 2.312 362 L HA 0.274 4.572 4.340 -0.070 0.000 0.287 362 L C 0.987 177.787 176.870 -0.118 0.000 1.091 362 L CA 0.130 54.939 54.840 -0.052 0.000 0.846 362 L CB -0.241 41.784 42.059 -0.057 0.000 1.219 362 L HN 0.468 nan 8.230 nan 0.000 0.439 363 I N -0.208 120.277 120.570 -0.141 0.000 3.030 363 I HA 0.360 4.488 4.170 -0.070 0.000 0.270 363 I C -0.113 175.923 176.117 -0.135 0.000 1.211 363 I CA 0.202 61.443 61.300 -0.099 0.000 1.479 363 I CB 0.118 38.088 38.000 -0.050 0.000 1.105 363 I HN 0.506 nan 8.210 nan 0.000 0.447 364 D N 1.459 121.725 120.400 -0.222 0.000 2.753 364 D HA 0.489 5.087 4.640 -0.070 0.000 0.224 364 D C -1.454 174.680 176.300 -0.277 0.000 1.213 364 D CA -0.584 53.312 54.000 -0.174 0.000 0.833 364 D CB 1.891 42.640 40.800 -0.085 0.000 1.607 364 D HN 0.395 nan 8.370 nan 0.000 0.463 365 K N 1.146 121.454 120.400 -0.154 0.000 2.557 365 K HA 0.695 4.973 4.320 -0.070 0.000 0.257 365 K C -1.520 175.117 176.600 0.061 0.000 0.933 365 K CA -0.989 55.178 56.287 -0.200 0.000 0.820 365 K CB 1.479 33.756 32.500 -0.371 0.000 1.330 365 K HN 0.354 nan 8.250 nan 0.000 0.432 366 F N -1.401 118.517 119.950 -0.053 0.000 2.741 366 F HA 0.627 5.112 4.527 -0.070 0.000 0.311 366 F C -1.982 173.876 175.800 0.097 0.000 1.149 366 F CA -1.261 56.742 58.000 0.006 0.000 0.930 366 F CB 0.987 39.983 39.000 -0.007 0.000 1.312 366 F HN 0.159 nan 8.300 nan 0.000 0.450 367 V N 1.403 121.461 119.914 0.240 0.000 2.483 367 V HA 0.339 4.417 4.120 -0.070 0.000 0.295 367 V C -0.784 175.532 176.094 0.369 0.000 1.035 367 V CA -0.585 61.830 62.300 0.191 0.000 0.896 367 V CB 1.294 33.178 31.823 0.102 0.000 0.986 367 V HN 0.947 nan 8.190 nan 0.000 0.447 368 H N 7.453 126.702 119.070 0.298 0.000 2.620 368 H HA 0.303 4.817 4.556 -0.070 0.000 0.313 368 H C -1.464 173.946 175.328 0.137 0.000 1.075 368 H CA -1.421 54.803 56.048 0.293 0.000 1.397 368 H CB 1.826 31.697 29.762 0.182 0.000 1.446 368 H HN 0.380 nan 8.280 nan 0.000 0.493 369 P HA -0.214 nan 4.420 nan 0.000 0.214 369 P C 0.756 178.145 177.300 0.148 0.000 1.163 369 P CA 1.588 64.657 63.100 -0.051 0.000 0.883 369 P CB 0.476 32.104 31.700 -0.120 0.000 0.788 370 K N -0.806 119.728 120.400 0.223 0.000 2.002 370 K HA -0.090 4.188 4.320 -0.070 0.000 0.209 370 K C 2.473 179.224 176.600 0.253 0.000 1.048 370 K CA 2.018 58.466 56.287 0.267 0.000 0.930 370 K CB -0.893 31.759 32.500 0.253 0.000 0.714 370 K HN 0.160 nan 8.250 nan 0.000 0.438 371 T N -1.303 113.405 114.554 0.256 0.000 3.043 371 T HA -0.075 4.233 4.350 -0.070 0.000 0.263 371 T C -0.019 174.750 174.700 0.114 0.000 1.094 371 T CA 0.779 62.877 62.100 -0.003 0.000 1.127 371 T CB -0.032 68.656 68.868 -0.299 0.000 0.905 371 T HN 0.340 nan 8.240 nan 0.000 0.490 372 H N -0.430 118.644 119.070 0.007 0.000 3.642 372 H HA -0.084 4.430 4.556 -0.070 0.000 0.185 372 H C 0.210 175.538 175.328 0.000 0.000 0.992 372 H CA 0.767 56.820 56.048 0.009 0.000 1.216 372 H CB -1.804 27.950 29.762 -0.013 0.000 1.055 372 H HN 0.446 nan 8.280 nan 0.000 0.351 373 K N 1.088 121.529 120.400 0.068 0.000 2.202 373 K HA 0.386 4.664 4.320 -0.070 0.000 0.264 373 K C 0.300 177.018 176.600 0.197 0.000 1.010 373 K CA 0.135 56.449 56.287 0.046 0.000 0.940 373 K CB 0.867 33.268 32.500 -0.165 0.000 0.983 373 K HN 0.030 nan 8.250 nan 0.000 0.475 374 T N 0.945 115.592 114.554 0.156 0.000 2.799 374 T HA 0.130 4.438 4.350 -0.070 0.000 0.286 374 T C -0.249 174.427 174.700 -0.040 0.000 0.973 374 T CA -0.432 61.693 62.100 0.042 0.000 1.035 374 T CB 1.288 70.149 68.868 -0.011 0.000 0.932 374 T HN 0.459 nan 8.240 nan 0.000 0.469 375 S N 2.443 117.852 115.700 -0.486 0.000 2.451 375 S HA 0.496 4.924 4.470 -0.070 0.000 0.301 375 S C -1.196 173.103 174.600 -0.502 0.000 1.116 375 S CA -0.667 57.006 58.200 -0.879 0.000 1.093 375 S CB 0.254 62.343 63.200 -1.852 0.000 1.017 375 S HN 0.687 nan 8.310 nan 0.000 0.482 376 H N 1.829 120.482 119.070 -0.694 0.000 2.495 376 H HA 0.554 5.068 4.556 -0.070 0.000 0.348 376 H C -0.761 174.047 175.328 -0.867 0.000 1.113 376 H CA -0.589 55.020 56.048 -0.731 0.000 1.195 376 H CB 1.543 30.885 29.762 -0.700 0.000 1.521 376 H HN 0.692 nan 8.280 nan 0.000 0.509 377 C N 6.044 124.921 119.300 -0.705 0.000 2.346 377 C HA 0.557 4.975 4.460 -0.070 0.000 0.326 377 C C -1.276 173.405 174.990 -0.514 0.000 1.224 377 C CA -0.542 58.169 59.018 -0.511 0.000 1.408 377 C CB -1.436 26.142 27.740 -0.271 0.000 2.089 377 C HN 0.746 nan 8.230 nan 0.000 0.456 378 Y N 3.464 123.663 120.300 -0.169 0.000 2.387 378 Y HA 0.596 5.104 4.550 -0.070 0.000 0.336 378 Y C 0.461 176.415 175.900 0.091 0.000 1.067 378 Y CA -0.476 57.636 58.100 0.019 0.000 1.114 378 Y CB 0.978 39.533 38.460 0.159 0.000 1.208 378 Y HN 0.634 nan 8.280 nan 0.000 0.458 379 R N 3.793 124.445 120.500 0.254 0.000 2.229 379 R HA 0.576 4.874 4.340 -0.070 0.000 0.332 379 R C -1.631 174.776 176.300 0.179 0.000 0.989 379 R CA -0.204 56.002 56.100 0.178 0.000 0.842 379 R CB 0.193 30.556 30.300 0.105 0.000 1.119 379 R HN 0.751 nan 8.270 nan 0.000 0.456 380 I N 4.061 124.726 120.570 0.159 0.000 2.321 380 I HA 0.214 4.342 4.170 -0.070 0.000 0.291 380 I C -0.195 175.859 176.117 -0.105 0.000 0.998 380 I CA -0.618 60.687 61.300 0.008 0.000 1.227 380 I CB 2.118 40.107 38.000 -0.020 0.000 1.368 380 I HN 0.578 nan 8.210 nan 0.000 0.466 381 T N 5.937 120.413 114.554 -0.130 0.000 2.733 381 T HA 0.377 4.685 4.350 -0.070 0.000 0.294 381 T C -0.651 173.967 174.700 -0.137 0.000 0.956 381 T CA -0.207 61.859 62.100 -0.057 0.000 0.987 381 T CB 0.025 68.897 68.868 0.008 0.000 0.920 381 T HN 0.155 nan 8.240 nan 0.000 0.470 382 Y N 2.985 123.327 120.300 0.069 0.000 2.341 382 Y HA 0.544 5.052 4.550 -0.069 0.000 0.340 382 Y C 0.789 176.738 175.900 0.082 0.000 0.997 382 Y CA -0.816 57.328 58.100 0.074 0.000 1.149 382 Y CB 0.958 39.458 38.460 0.067 0.000 1.171 382 Y HN 0.433 nan 8.280 nan 0.000 0.494 383 R N 2.823 123.452 120.500 0.215 0.000 2.518 383 R HA 0.197 4.495 4.340 -0.070 0.000 0.287 383 R C -1.801 174.614 176.300 0.191 0.000 1.135 383 R CA -0.619 55.601 56.100 0.199 0.000 0.967 383 R CB 0.793 31.186 30.300 0.154 0.000 1.212 383 R HN 0.721 nan 8.270 nan 0.000 0.422 384 H N 5.765 124.917 119.070 0.137 0.000 2.610 384 H HA 0.134 4.648 4.556 -0.070 0.000 0.336 384 H C 0.824 176.239 175.328 0.145 0.000 1.087 384 H CA 0.104 56.212 56.048 0.100 0.000 1.405 384 H CB 1.312 31.087 29.762 0.021 0.000 1.460 384 H HN 0.603 nan 8.280 nan 0.000 0.538 385 M N 3.423 123.147 119.600 0.206 0.000 2.476 385 M HA -0.043 4.395 4.480 -0.070 0.000 0.262 385 M C 1.002 177.543 176.300 0.402 0.000 1.079 385 M CA 1.150 56.604 55.300 0.257 0.000 1.104 385 M CB -0.339 32.306 32.600 0.075 0.000 1.409 385 M HN 0.666 nan 8.290 nan 0.000 0.467 386 E N 0.173 120.677 120.200 0.508 0.000 2.490 386 E HA 0.125 4.433 4.350 -0.070 0.000 0.209 386 E C 0.424 176.767 176.600 -0.428 0.000 0.971 386 E CA -0.037 56.470 56.400 0.178 0.000 0.988 386 E CB 0.818 30.622 29.700 0.174 0.000 1.029 386 E HN 0.444 nan 8.360 nan 0.000 0.496 387 R N -0.936 119.043 120.500 -0.868 0.000 2.756 387 R HA 0.361 4.659 4.340 -0.070 0.000 0.273 387 R C -1.205 174.536 176.300 -0.932 0.000 1.030 387 R CA -0.821 54.466 56.100 -1.354 0.000 0.887 387 R CB 0.561 30.421 30.300 -0.733 0.000 1.274 387 R HN -0.267 nan 8.270 nan 0.000 0.461 388 T N 2.006 116.235 114.554 -0.540 0.000 2.832 388 T HA 0.339 4.648 4.350 -0.070 0.000 0.296 388 T C 0.126 174.777 174.700 -0.083 0.000 0.968 388 T CA -0.411 61.632 62.100 -0.095 0.000 1.107 388 T CB 0.385 69.266 68.868 0.021 0.000 0.916 388 T HN 0.208 nan 8.240 nan 0.000 0.517 389 L N 3.290 124.518 121.223 0.010 0.000 2.312 389 L HA 0.401 4.699 4.340 -0.070 0.000 0.281 389 L C 1.035 177.899 176.870 -0.010 0.000 1.070 389 L CA -0.715 54.130 54.840 0.008 0.000 0.805 389 L CB 1.188 43.289 42.059 0.071 0.000 1.174 389 L HN 0.719 nan 8.230 nan 0.000 0.434 390 S N 1.612 117.290 115.700 -0.037 0.000 2.632 390 S HA 0.178 4.606 4.470 -0.070 0.000 0.271 390 S C 0.667 175.221 174.600 -0.077 0.000 1.260 390 S CA -0.818 57.353 58.200 -0.048 0.000 1.010 390 S CB 1.611 64.779 63.200 -0.052 0.000 0.965 390 S HN 0.575 nan 8.310 nan 0.000 0.534 391 Q N 0.844 120.597 119.800 -0.078 0.000 2.124 391 Q HA -0.137 4.161 4.340 -0.070 0.000 0.202 391 Q C 2.155 178.054 176.000 -0.168 0.000 0.977 391 Q CA 1.542 57.281 55.803 -0.107 0.000 0.850 391 Q CB -0.533 28.157 28.738 -0.080 0.000 0.901 391 Q HN 0.838 nan 8.270 nan 0.000 0.429 392 R N 1.804 122.202 120.500 -0.169 0.000 2.088 392 R HA -0.176 4.122 4.340 -0.070 0.000 0.232 392 R C 2.099 178.174 176.300 -0.375 0.000 1.136 392 R CA 2.192 58.128 56.100 -0.273 0.000 0.926 392 R CB -0.476 29.722 30.300 -0.169 0.000 0.837 392 R HN 0.495 nan 8.270 nan 0.000 0.429 393 E N -0.355 119.730 120.200 -0.191 0.000 2.204 393 E HA -0.139 4.169 4.350 -0.070 0.000 0.195 393 E C 1.697 178.211 176.600 -0.145 0.000 0.990 393 E CA 1.489 57.826 56.400 -0.105 0.000 0.821 393 E CB -0.232 29.452 29.700 -0.027 0.000 0.750 393 E HN 0.252 nan 8.360 nan 0.000 0.477 394 V N 1.327 121.104 119.914 -0.228 0.000 2.379 394 V HA -0.178 3.900 4.120 -0.070 0.000 0.245 394 V C 2.669 178.568 176.094 -0.326 0.000 1.044 394 V CA 1.849 63.916 62.300 -0.388 0.000 1.036 394 V CB -0.655 30.894 31.823 -0.458 0.000 0.664 394 V HN 0.294 nan 8.190 nan 0.000 0.453 395 R N -0.399 119.942 120.500 -0.265 0.000 2.091 395 R HA -0.200 4.098 4.340 -0.070 0.000 0.238 395 R C 2.282 178.564 176.300 -0.029 0.000 1.136 395 R CA 2.173 58.174 56.100 -0.165 0.000 0.959 395 R CB -0.358 29.805 30.300 -0.228 0.000 0.856 395 R HN 0.669 nan 8.270 nan 0.000 0.437 396 H N -0.442 118.613 119.070 -0.024 0.000 2.357 396 H HA -0.079 4.435 4.556 -0.070 0.000 0.301 396 H C 2.088 177.426 175.328 0.017 0.000 1.082 396 H CA 1.057 57.104 56.048 -0.001 0.000 1.342 396 H CB 0.172 29.931 29.762 -0.005 0.000 1.389 396 H HN 0.164 nan 8.280 nan 0.000 0.511 397 I N 0.382 121.020 120.570 0.114 0.000 2.315 397 I HA -0.238 3.890 4.170 -0.070 0.000 0.248 397 I C 2.279 178.491 176.117 0.159 0.000 1.117 397 I CA 1.516 62.882 61.300 0.109 0.000 1.404 397 I CB -0.988 37.055 38.000 0.072 0.000 1.071 397 I HN 0.357 nan 8.210 nan 0.000 0.419 398 H N 1.184 120.267 119.070 0.022 0.000 2.357 398 H HA -0.123 4.391 4.556 -0.070 0.000 0.301 398 H C 2.284 177.679 175.328 0.112 0.000 1.082 398 H CA 1.757 57.878 56.048 0.123 0.000 1.342 398 H CB 0.124 29.919 29.762 0.055 0.000 1.389 398 H HN 0.331 nan 8.280 nan 0.000 0.511 399 Q N -0.627 119.235 119.800 0.103 0.000 2.119 399 Q HA -0.086 4.213 4.340 -0.070 0.000 0.201 399 Q C 2.459 178.481 176.000 0.036 0.000 0.972 399 Q CA 1.055 56.875 55.803 0.028 0.000 0.847 399 Q CB -0.042 28.735 28.738 0.065 0.000 0.903 399 Q HN 0.575 nan 8.270 nan 0.000 0.433 400 A N 0.792 123.653 122.820 0.067 0.000 1.969 400 A HA -0.155 4.123 4.320 -0.070 0.000 0.218 400 A C 2.011 179.639 177.584 0.073 0.000 1.169 400 A CA 0.979 53.056 52.037 0.066 0.000 0.635 400 A CB -0.454 18.588 19.000 0.070 0.000 0.810 400 A HN 0.351 nan 8.150 nan 0.000 0.445 401 L N -0.134 121.134 121.223 0.076 0.000 2.056 401 L HA -0.165 4.133 4.340 -0.070 0.000 0.207 401 L C 2.388 179.348 176.870 0.150 0.000 1.078 401 L CA 2.211 57.112 54.840 0.102 0.000 0.749 401 L CB -0.788 41.335 42.059 0.106 0.000 0.901 401 L HN 0.499 nan 8.230 nan 0.000 0.433 402 Q N -0.347 119.517 119.800 0.107 0.000 2.030 402 Q HA -0.250 4.048 4.340 -0.070 0.000 0.204 402 Q C 2.112 178.267 176.000 0.258 0.000 0.986 402 Q CA 2.261 58.217 55.803 0.254 0.000 0.843 402 Q CB -0.285 28.514 28.738 0.101 0.000 0.904 402 Q HN 0.639 nan 8.270 nan 0.000 0.420 403 E N 0.549 120.846 120.200 0.161 0.000 2.077 403 E HA -0.190 4.118 4.350 -0.070 0.000 0.193 403 E C 1.978 178.638 176.600 0.100 0.000 0.989 403 E CA 0.957 57.436 56.400 0.131 0.000 0.800 403 E CB -0.163 29.589 29.700 0.087 0.000 0.746 403 E HN 0.360 nan 8.360 nan 0.000 0.452 404 A N 1.527 124.402 122.820 0.092 0.000 1.902 404 A HA -0.095 4.183 4.320 -0.070 0.000 0.217 404 A C 2.418 180.041 177.584 0.065 0.000 1.181 404 A CA 1.588 53.666 52.037 0.068 0.000 0.623 404 A CB -0.668 18.370 19.000 0.063 0.000 0.818 404 A HN 0.290 nan 8.150 nan 0.000 0.443 405 A N -0.549 122.332 122.820 0.102 0.000 1.940 405 A HA -0.047 4.231 4.320 -0.070 0.000 0.219 405 A C 2.188 179.733 177.584 -0.065 0.000 1.176 405 A CA 1.927 53.991 52.037 0.045 0.000 0.631 405 A CB -0.867 18.198 19.000 0.108 0.000 0.814 405 A HN 0.427 nan 8.150 nan 0.000 0.446 406 V N -0.314 119.598 119.914 -0.003 0.000 2.548 406 V HA -0.185 3.893 4.120 -0.070 0.000 0.249 406 V C 2.644 178.731 176.094 -0.011 0.000 1.055 406 V CA 1.776 64.063 62.300 -0.021 0.000 1.065 406 V CB -0.565 31.286 31.823 0.047 0.000 0.681 406 V HN 0.532 nan 8.190 nan 0.000 0.462 407 Q N -0.346 119.461 119.800 0.011 0.000 2.062 407 Q HA 0.066 4.364 4.340 -0.070 0.000 0.196 407 Q C 2.196 178.196 176.000 -0.001 0.000 0.967 407 Q CA 1.367 57.176 55.803 0.010 0.000 0.832 407 Q CB 0.011 28.762 28.738 0.021 0.000 0.899 407 Q HN 0.552 nan 8.270 nan 0.000 0.442 408 L N -0.751 120.471 121.223 -0.001 0.000 2.286 408 L HA 0.008 4.306 4.340 -0.070 0.000 0.203 408 L C 1.803 178.664 176.870 -0.014 0.000 1.068 408 L CA 0.174 55.012 54.840 -0.004 0.000 0.811 408 L CB -0.259 41.802 42.059 0.003 0.000 0.989 408 L HN 0.098 nan 8.230 nan 0.000 0.467 409 L N 0.519 121.728 121.223 -0.024 0.000 2.492 409 L HA 0.181 4.479 4.340 -0.070 0.000 0.223 409 L C 1.572 178.419 176.870 -0.037 0.000 1.132 409 L CA 1.078 55.905 54.840 -0.022 0.000 0.850 409 L CB -1.002 41.042 42.059 -0.025 0.000 0.966 409 L HN 0.414 nan 8.230 nan 0.000 0.454 410 G N -0.040 108.723 108.800 -0.063 0.000 2.179 410 G HA2 -0.243 3.675 3.960 -0.070 0.000 0.257 410 G HA3 -0.243 3.675 3.960 -0.070 0.000 0.257 410 G C 0.457 175.290 174.900 -0.111 0.000 1.010 410 G CA 0.378 45.441 45.100 -0.063 0.000 0.736 410 G HN 0.395 nan 8.290 nan 0.000 0.513 411 V N -2.547 117.235 119.914 -0.221 0.000 2.834 411 V HA 0.733 4.811 4.120 -0.070 0.000 0.301 411 V C 0.473 176.474 176.094 -0.155 0.000 1.066 411 V CA -0.537 61.570 62.300 -0.322 0.000 1.052 411 V CB 1.936 33.203 31.823 -0.927 0.000 1.021 411 V HN 0.392 nan 8.190 nan 0.000 0.480 412 E N 2.764 122.947 120.200 -0.027 0.000 2.081 412 E HA 0.474 4.782 4.350 -0.070 0.000 0.281 412 E C 0.583 177.185 176.600 0.003 0.000 0.986 412 E CA -0.495 55.934 56.400 0.048 0.000 0.796 412 E CB 0.753 30.544 29.700 0.151 0.000 1.085 412 E HN 1.198 nan 8.360 nan 0.000 0.398 413 G N 4.380 113.083 108.800 -0.163 0.000 2.151 413 G HA2 -0.175 3.743 3.960 -0.070 0.000 0.269 413 G HA3 -0.175 3.743 3.960 -0.070 0.000 0.269 413 G C 0.522 175.059 174.900 -0.606 0.000 1.069 413 G CA 0.171 44.875 45.100 -0.660 0.000 1.080 413 G HN 0.689 nan 8.290 nan 0.000 0.405 414 R N 2.423 122.496 120.500 -0.712 0.000 2.164 414 R HA 0.236 4.534 4.340 -0.070 0.000 0.198 414 R C 0.501 176.658 176.300 -0.238 0.000 1.028 414 R CA -0.258 55.621 56.100 -0.368 0.000 1.083 414 R CB -0.016 29.923 30.300 -0.602 0.000 1.026 414 R HN 0.465 nan 8.270 nan 0.000 0.514 415 F N 0.000 119.949 119.950 -0.001 0.000 2.286 415 F HA 0.000 4.485 4.527 -0.070 0.000 0.279 415 F CA 0.000 58.015 58.000 0.026 0.000 1.383 415 F CB 0.000 39.047 39.000 0.078 0.000 1.145 415 F HN 0.000 nan 8.300 nan 0.000 0.574