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 2xh7_1_B DATA FIRST_RESID 1 DATA SEQUENCE AVSKVYARSV YDSRGNPTVE VELTTEKGVF RSIVPSGAST GVHEALEMRD DATA SEQUENCE GDKSKWMGKG VLHAVKNVND VIAPAFVKAN IDVKDQKAVD DFLISLDGTA DATA SEQUENCE NKSKLGANAI LGVSLAASRA AAAEKNVPLY KHLADLSKSK TSPYVLPVPF DATA SEQUENCE LNVLNGGSHA GGALALQEFM IAPTGAKTFA EALRIGSEVY HNLKSLTKKR DATA SEQUENCE YGASAGNVGD EGGVAPNIQT AEEALDLIVD AIKAAGHDGK IKIGLDCASS DATA SEQUENCE EFFKDGKYDL DFKNPNSDKS KWLTGPQLAD LYHSLMKRYP IVSIEDPFAE DATA SEQUENCE DDWEAWSHFF KTAGIQIVAD ALTVTNPKRI ATAIEKKAAD ALLLKVNQIG DATA SEQUENCE TLSESIKAAQ DSFAAGWGVM VSHRSGETED TFIADLVVGL RTGQIKTGAP DATA SEQUENCE ARSERLAKLN QLLRIEEELG DNAVFAGENF HHGDKLLH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.589 177.584 0.009 0.000 1.274 1 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 1 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 2 V N 2.539 122.456 119.914 0.004 0.000 2.439 2 V HA 0.356 4.491 4.120 0.025 0.000 0.271 2 V C 1.412 177.542 176.094 0.061 0.000 1.040 2 V CA 1.010 63.354 62.300 0.073 0.000 1.002 2 V CB 0.687 32.600 31.823 0.150 0.000 1.000 2 V HN 1.311 nan 8.190 nan 0.000 0.477 3 S N 3.229 118.975 115.700 0.076 0.000 2.502 3 S HA 0.282 4.768 4.470 0.025 0.000 0.215 3 S C 0.417 175.061 174.600 0.072 0.000 1.009 3 S CA -0.190 58.044 58.200 0.057 0.000 0.908 3 S CB 0.364 63.589 63.200 0.042 0.000 0.801 3 S HN 0.641 nan 8.310 nan 0.000 0.505 4 K N 0.480 120.942 120.400 0.102 0.000 2.557 4 K HA 0.562 4.897 4.320 0.025 0.000 0.261 4 K C -2.298 174.389 176.600 0.145 0.000 0.932 4 K CA -0.522 55.831 56.287 0.109 0.000 0.829 4 K CB 2.484 35.029 32.500 0.076 0.000 1.358 4 K HN 0.052 nan 8.250 nan 0.000 0.430 5 V N 3.999 124.005 119.914 0.153 0.000 2.525 5 V HA 0.448 4.583 4.120 0.025 0.000 0.299 5 V C -1.518 174.684 176.094 0.180 0.000 1.034 5 V CA -0.819 61.563 62.300 0.135 0.000 0.863 5 V CB 1.428 33.306 31.823 0.091 0.000 0.999 5 V HN 0.740 nan 8.190 nan 0.000 0.423 6 Y N 3.762 124.070 120.300 0.012 0.000 2.457 6 Y HA 0.820 5.385 4.550 0.024 0.000 0.343 6 Y C -0.292 175.604 175.900 -0.008 0.000 0.994 6 Y CA -0.647 57.457 58.100 0.007 0.000 1.031 6 Y CB 1.951 40.418 38.460 0.012 0.000 1.246 6 Y HN 0.790 nan 8.280 nan 0.000 0.449 7 A N 6.388 128.794 122.820 -0.690 0.000 2.380 7 A HA 0.977 5.312 4.320 0.025 0.000 0.315 7 A C -1.175 175.919 177.584 -0.817 0.000 1.101 7 A CA -0.930 50.760 52.037 -0.579 0.000 0.771 7 A CB 1.422 20.240 19.000 -0.304 0.000 1.287 7 A HN 0.908 nan 8.150 nan 0.000 0.436 8 R N -0.076 120.143 120.500 -0.467 0.000 2.799 8 R HA 0.733 5.089 4.340 0.025 0.000 0.270 8 R C -0.744 175.425 176.300 -0.218 0.000 1.010 8 R CA -0.478 55.436 56.100 -0.309 0.000 0.916 8 R CB 1.386 31.581 30.300 -0.176 0.000 1.228 8 R HN 0.538 nan 8.270 nan 0.000 0.469 9 S N 0.719 116.302 115.700 -0.196 0.000 2.499 9 S HA 0.470 4.956 4.470 0.025 0.000 0.275 9 S C 0.064 174.520 174.600 -0.239 0.000 1.257 9 S CA -0.416 57.614 58.200 -0.284 0.000 1.050 9 S CB 0.518 63.484 63.200 -0.391 0.000 0.937 9 S HN 0.540 nan 8.310 nan 0.000 0.490 10 V N 3.471 123.217 119.914 -0.281 0.000 3.156 10 V HA 0.712 4.847 4.120 0.025 0.000 0.311 10 V C -1.696 174.194 176.094 -0.339 0.000 1.208 10 V CA -1.123 61.071 62.300 -0.175 0.000 1.063 10 V CB 0.905 32.706 31.823 -0.036 0.000 1.098 10 V HN 0.767 nan 8.190 nan 0.000 0.452 11 Y N 1.254 121.526 120.300 -0.046 0.000 2.341 11 Y HA 0.583 5.148 4.550 0.025 0.000 0.337 11 Y C 0.350 176.228 175.900 -0.035 0.000 1.014 11 Y CA -0.399 57.675 58.100 -0.043 0.000 1.111 11 Y CB 1.264 39.728 38.460 0.005 0.000 1.194 11 Y HN 0.975 nan 8.280 nan 0.000 0.462 12 D N -0.479 119.961 120.400 0.068 0.000 2.433 12 D HA 0.027 4.682 4.640 0.025 0.000 0.255 12 D C 1.082 177.423 176.300 0.069 0.000 1.226 12 D CA -0.229 53.795 54.000 0.040 0.000 1.015 12 D CB 0.595 41.386 40.800 -0.014 0.000 1.091 12 D HN 0.425 nan 8.370 nan 0.000 0.527 13 S N -1.149 114.573 115.700 0.038 0.000 2.507 13 S HA -0.098 4.387 4.470 0.025 0.000 0.235 13 S C 1.528 176.148 174.600 0.033 0.000 0.988 13 S CA 0.314 58.536 58.200 0.036 0.000 0.944 13 S CB -0.337 62.877 63.200 0.023 0.000 0.762 13 S HN 0.504 nan 8.310 nan 0.000 0.526 14 R N 0.276 120.796 120.500 0.033 0.000 2.334 14 R HA 0.247 4.602 4.340 0.025 0.000 0.216 14 R C 1.299 177.642 176.300 0.072 0.000 0.905 14 R CA 0.479 56.601 56.100 0.037 0.000 1.064 14 R CB 0.089 30.399 30.300 0.018 0.000 1.046 14 R HN 0.589 nan 8.270 nan 0.000 0.508 15 G N 1.235 110.103 108.800 0.114 0.000 2.132 15 G HA2 -0.218 3.758 3.960 0.025 0.000 0.234 15 G HA3 -0.218 3.758 3.960 0.025 0.000 0.234 15 G C -0.394 174.683 174.900 0.295 0.000 0.989 15 G CA -0.283 44.935 45.100 0.197 0.000 0.676 15 G HN 0.232 nan 8.290 nan 0.000 0.522 16 N N 1.126 119.919 118.700 0.155 0.000 2.487 16 N HA 0.529 5.284 4.740 0.025 0.000 0.292 16 N C -2.653 172.762 175.510 -0.158 0.000 1.108 16 N CA -1.500 51.572 53.050 0.037 0.000 0.956 16 N CB 1.503 39.980 38.487 -0.017 0.000 1.176 16 N HN 0.024 nan 8.380 nan 0.000 0.484 17 P HA 0.106 nan 4.420 nan 0.000 0.269 17 P C -0.123 176.908 177.300 -0.449 0.000 1.209 17 P CA 0.177 62.825 63.100 -0.754 0.000 0.776 17 P CB 0.705 31.718 31.700 -1.145 0.000 0.876 18 T N 0.767 115.083 114.554 -0.397 0.000 2.787 18 T HA 0.417 4.782 4.350 0.025 0.000 0.297 18 T C -1.290 173.258 174.700 -0.253 0.000 1.221 18 T CA -0.605 61.334 62.100 -0.267 0.000 1.006 18 T CB 0.800 69.564 68.868 -0.172 0.000 1.328 18 T HN -0.037 nan 8.240 nan 0.000 0.509 19 V N 2.664 122.462 119.914 -0.194 0.000 2.465 19 V HA 0.520 4.655 4.120 0.025 0.000 0.279 19 V C 0.176 176.183 176.094 -0.145 0.000 1.045 19 V CA -0.426 61.766 62.300 -0.180 0.000 0.938 19 V CB 1.152 32.880 31.823 -0.159 0.000 0.986 19 V HN 0.833 nan 8.190 nan 0.000 0.467 20 E N 4.082 124.195 120.200 -0.144 0.000 2.187 20 E HA 0.632 4.997 4.350 0.025 0.000 0.268 20 E C -1.716 174.812 176.600 -0.119 0.000 0.896 20 E CA -0.531 55.806 56.400 -0.104 0.000 0.766 20 E CB 2.100 31.758 29.700 -0.071 0.000 1.142 20 E HN 0.453 nan 8.360 nan 0.000 0.408 21 V N 4.100 123.964 119.914 -0.084 0.000 2.555 21 V HA 0.343 4.478 4.120 0.025 0.000 0.302 21 V C -0.543 175.549 176.094 -0.003 0.000 1.038 21 V CA -0.669 61.586 62.300 -0.074 0.000 0.887 21 V CB 1.767 33.536 31.823 -0.090 0.000 0.991 21 V HN 0.757 nan 8.190 nan 0.000 0.434 22 E N 3.681 123.908 120.200 0.046 0.000 2.176 22 E HA 0.580 4.946 4.350 0.025 0.000 0.267 22 E C -1.223 175.448 176.600 0.119 0.000 0.893 22 E CA -0.588 55.873 56.400 0.102 0.000 0.761 22 E CB 2.702 32.490 29.700 0.146 0.000 1.133 22 E HN 0.514 nan 8.360 nan 0.000 0.409 23 L N 2.575 123.885 121.223 0.145 0.000 2.333 23 L HA 0.467 4.823 4.340 0.025 0.000 0.280 23 L C -0.981 176.032 176.870 0.237 0.000 1.004 23 L CA -0.232 54.711 54.840 0.171 0.000 0.820 23 L CB 1.699 43.849 42.059 0.151 0.000 1.247 23 L HN 0.448 nan 8.230 nan 0.000 0.416 24 T N 2.766 117.432 114.554 0.187 0.000 2.794 24 T HA 0.599 4.964 4.350 0.025 0.000 0.280 24 T C -0.006 174.803 174.700 0.183 0.000 0.987 24 T CA -0.375 61.823 62.100 0.163 0.000 0.993 24 T CB 1.399 70.317 68.868 0.085 0.000 0.939 24 T HN 0.781 nan 8.240 nan 0.000 0.449 25 T N -0.958 113.732 114.554 0.227 0.000 2.693 25 T HA 0.402 4.767 4.350 0.025 0.000 0.278 25 T C 1.257 176.038 174.700 0.135 0.000 0.994 25 T CA -0.815 61.389 62.100 0.174 0.000 1.033 25 T CB 1.332 70.312 68.868 0.186 0.000 1.342 25 T HN 0.448 nan 8.240 nan 0.000 0.538 26 E N 0.455 120.713 120.200 0.096 0.000 2.265 26 E HA -0.131 4.235 4.350 0.025 0.000 0.196 26 E C 1.048 177.700 176.600 0.086 0.000 0.996 26 E CA 0.957 57.397 56.400 0.068 0.000 0.832 26 E CB -0.191 29.534 29.700 0.042 0.000 0.756 26 E HN 0.510 nan 8.360 nan 0.000 0.491 27 K N 0.700 121.197 120.400 0.161 0.000 2.393 27 K HA 0.234 4.569 4.320 0.025 0.000 0.193 27 K C 1.047 177.732 176.600 0.142 0.000 1.026 27 K CA 0.735 57.139 56.287 0.196 0.000 1.064 27 K CB 1.012 33.687 32.500 0.293 0.000 0.833 27 K HN 0.330 nan 8.250 nan 0.000 0.521 28 G N -0.053 108.788 108.800 0.068 0.000 2.270 28 G HA2 -0.093 3.882 3.960 0.025 0.000 0.268 28 G HA3 -0.093 3.882 3.960 0.025 0.000 0.268 28 G C -1.591 173.086 174.900 -0.370 0.000 1.312 28 G CA -0.706 44.270 45.100 -0.206 0.000 1.050 28 G HN -0.131 nan 8.290 nan 0.000 0.474 29 V N 0.626 120.184 119.914 -0.592 0.000 2.417 29 V HA 0.726 4.862 4.120 0.025 0.000 0.291 29 V C -0.879 174.824 176.094 -0.653 0.000 1.024 29 V CA -0.411 61.647 62.300 -0.403 0.000 0.861 29 V CB 1.068 32.787 31.823 -0.172 0.000 0.985 29 V HN 0.590 nan 8.190 nan 0.000 0.436 30 F N 3.771 123.742 119.950 0.035 0.000 2.477 30 F HA 0.648 5.169 4.527 -0.011 0.000 0.335 30 F C 0.243 176.064 175.800 0.034 0.000 1.130 30 F CA -0.572 57.450 58.000 0.036 0.000 0.948 30 F CB 1.609 40.630 39.000 0.035 0.000 1.154 30 F HN 0.334 nan 8.300 nan 0.000 0.439 31 R N 1.760 122.360 120.500 0.167 0.000 2.514 31 R HA 0.790 5.146 4.340 0.025 0.000 0.301 31 R C -1.178 175.178 176.300 0.093 0.000 0.962 31 R CA -0.323 55.836 56.100 0.098 0.000 0.882 31 R CB 1.518 31.855 30.300 0.062 0.000 1.143 31 R HN 0.728 nan 8.270 nan 0.000 0.452 32 S N 4.117 119.841 115.700 0.039 0.000 2.541 32 S HA 0.548 5.033 4.470 0.025 0.000 0.280 32 S C -0.826 173.757 174.600 -0.028 0.000 1.112 32 S CA -0.668 57.533 58.200 0.003 0.000 0.925 32 S CB 1.454 64.616 63.200 -0.063 0.000 1.067 32 S HN 0.503 nan 8.310 nan 0.000 0.479 33 I N 1.956 122.511 120.570 -0.024 0.000 2.433 33 I HA 0.439 4.624 4.170 0.025 0.000 0.292 33 I C -0.655 175.428 176.117 -0.056 0.000 1.001 33 I CA -1.132 60.144 61.300 -0.040 0.000 1.119 33 I CB 1.811 39.802 38.000 -0.015 0.000 1.289 33 I HN 0.241 nan 8.210 nan 0.000 0.438 34 V N 7.478 127.345 119.914 -0.079 0.000 2.461 34 V HA 0.259 4.394 4.120 0.025 0.000 0.275 34 V C -1.811 174.244 176.094 -0.066 0.000 1.047 34 V CA -1.230 61.021 62.300 -0.083 0.000 0.955 34 V CB 0.697 32.461 31.823 -0.099 0.000 0.988 34 V HN 0.611 nan 8.190 nan 0.000 0.471 35 P HA 0.322 nan 4.420 nan 0.000 0.279 35 P C -0.706 176.560 177.300 -0.056 0.000 1.276 35 P CA -0.518 62.557 63.100 -0.041 0.000 0.801 35 P CB 1.304 32.993 31.700 -0.017 0.000 1.127 36 S N -1.076 114.589 115.700 -0.059 0.000 2.619 36 S HA 0.632 5.117 4.470 0.025 0.000 0.280 36 S C -0.251 174.311 174.600 -0.062 0.000 1.150 36 S CA -0.638 57.525 58.200 -0.062 0.000 0.978 36 S CB 0.390 63.549 63.200 -0.068 0.000 1.041 36 S HN 0.630 nan 8.310 nan 0.000 0.485 37 G N 1.854 110.626 108.800 -0.048 0.000 2.504 37 G HA2 0.634 4.609 3.960 0.025 0.000 0.288 37 G HA3 0.634 4.609 3.960 0.025 0.000 0.288 37 G C 0.674 175.567 174.900 -0.011 0.000 1.182 37 G CA -0.083 44.995 45.100 -0.036 0.000 0.894 37 G HN 1.011 nan 8.290 nan 0.000 0.521 38 A N -0.060 122.778 122.820 0.029 0.000 1.983 38 A HA 0.323 4.658 4.320 0.025 0.000 0.207 38 A C 1.779 179.410 177.584 0.078 0.000 1.412 38 A CA 1.097 53.174 52.037 0.067 0.000 0.750 38 A CB -0.324 18.748 19.000 0.120 0.000 1.047 38 A HN 1.231 nan 8.150 nan 0.000 0.504 39 S N 2.191 117.959 115.700 0.114 0.000 4.120 39 S HA 0.341 4.826 4.470 0.025 0.000 0.196 39 S C 0.307 174.916 174.600 0.015 0.000 1.447 39 S CA 0.158 58.388 58.200 0.050 0.000 0.939 39 S CB -1.303 61.907 63.200 0.016 0.000 1.496 39 S HN 0.628 nan 8.310 nan 0.000 0.460 40 T N -0.171 114.385 114.554 0.003 0.000 2.913 40 T HA 0.575 4.940 4.350 0.025 0.000 0.297 40 T C 0.754 175.434 174.700 -0.035 0.000 1.029 40 T CA -0.439 61.653 62.100 -0.014 0.000 1.104 40 T CB 0.956 69.813 68.868 -0.018 0.000 0.964 40 T HN 0.539 nan 8.240 nan 0.000 0.532 41 G N 0.875 109.655 108.800 -0.034 0.000 2.442 41 G HA2 0.356 4.332 3.960 0.025 0.000 0.249 41 G HA3 0.356 4.332 3.960 0.025 0.000 0.249 41 G C 1.210 176.053 174.900 -0.094 0.000 1.263 41 G CA -0.382 44.688 45.100 -0.051 0.000 0.846 41 G HN 1.268 nan 8.290 nan 0.000 0.555 42 V N -0.417 119.378 119.914 -0.198 0.000 2.720 42 V HA -0.111 4.025 4.120 0.025 0.000 0.256 42 V C 1.474 177.365 176.094 -0.338 0.000 1.082 42 V CA 1.529 63.650 62.300 -0.298 0.000 1.101 42 V CB -0.802 30.783 31.823 -0.396 0.000 0.693 42 V HN 0.733 nan 8.190 nan 0.000 0.479 43 H N 0.361 119.422 119.070 -0.016 0.000 2.529 43 H HA 0.395 4.966 4.556 0.025 0.000 0.277 43 H C 0.573 175.892 175.328 -0.015 0.000 1.004 43 H CA -0.139 55.902 56.048 -0.010 0.000 1.167 43 H CB 0.137 29.896 29.762 -0.005 0.000 1.445 43 H HN 0.648 nan 8.280 nan 0.000 0.554 44 E N 1.031 121.258 120.200 0.045 0.000 2.404 44 E HA 0.329 4.694 4.350 0.025 0.000 0.261 44 E C 0.293 176.900 176.600 0.011 0.000 1.074 44 E CA -0.380 56.032 56.400 0.021 0.000 0.917 44 E CB 1.193 30.892 29.700 -0.003 0.000 0.965 44 E HN 0.230 nan 8.360 nan 0.000 0.433 45 A N 2.289 125.111 122.820 0.003 0.000 2.483 45 A HA 0.046 4.381 4.320 0.025 0.000 0.238 45 A C -0.036 177.539 177.584 -0.015 0.000 1.070 45 A CA -0.355 51.678 52.037 -0.007 0.000 0.770 45 A CB 0.112 19.103 19.000 -0.015 0.000 1.008 45 A HN 0.550 nan 8.150 nan 0.000 0.497 46 L N 1.328 122.541 121.223 -0.016 0.000 2.584 46 L HA 0.058 4.413 4.340 0.025 0.000 0.272 46 L C 0.685 177.537 176.870 -0.030 0.000 1.195 46 L CA 0.671 55.499 54.840 -0.020 0.000 0.920 46 L CB 0.042 42.091 42.059 -0.016 0.000 1.173 46 L HN 0.745 nan 8.230 nan 0.000 0.489 47 E N 6.479 126.659 120.200 -0.034 0.000 2.044 47 E HA 0.142 4.507 4.350 0.025 0.000 0.282 47 E C -0.442 176.131 176.600 -0.045 0.000 1.031 47 E CA -0.506 55.867 56.400 -0.045 0.000 0.824 47 E CB 0.724 30.395 29.700 -0.049 0.000 1.076 47 E HN 0.750 nan 8.360 nan 0.000 0.395 48 M N 5.640 125.212 119.600 -0.046 0.000 2.146 48 M HA 0.210 4.705 4.480 0.025 0.000 0.352 48 M C -0.828 175.431 176.300 -0.067 0.000 1.343 48 M CA -0.054 55.224 55.300 -0.036 0.000 1.115 48 M CB 0.266 32.859 32.600 -0.012 0.000 1.657 48 M HN 0.371 nan 8.290 nan 0.000 0.471 49 R N 3.314 123.771 120.500 -0.072 0.000 2.803 49 R HA 0.281 4.637 4.340 0.025 0.000 0.276 49 R C -0.194 176.010 176.300 -0.161 0.000 0.978 49 R CA -0.713 55.317 56.100 -0.116 0.000 0.939 49 R CB 1.403 31.653 30.300 -0.083 0.000 1.179 49 R HN 0.697 nan 8.270 nan 0.000 0.472 50 D N 0.529 120.773 120.400 -0.260 0.000 2.183 50 D HA 0.003 4.658 4.640 0.025 0.000 0.203 50 D C 1.108 177.293 176.300 -0.191 0.000 0.969 50 D CA 1.479 55.203 54.000 -0.459 0.000 0.842 50 D CB 0.096 40.616 40.800 -0.467 0.000 0.957 50 D HN 0.926 nan 8.370 nan 0.000 0.484 51 G N 1.496 110.246 108.800 -0.083 0.000 2.168 51 G HA2 -0.279 3.696 3.960 0.025 0.000 0.257 51 G HA3 -0.279 3.696 3.960 0.025 0.000 0.257 51 G C -0.080 174.823 174.900 0.004 0.000 0.997 51 G CA 0.398 45.486 45.100 -0.020 0.000 0.708 51 G HN 0.362 nan 8.290 nan 0.000 0.520 52 D N 0.404 120.810 120.400 0.009 0.000 2.374 52 D HA 0.566 5.221 4.640 0.025 0.000 0.240 52 D C 1.571 177.895 176.300 0.040 0.000 1.229 52 D CA 0.719 54.738 54.000 0.032 0.000 0.895 52 D CB 0.425 41.252 40.800 0.045 0.000 1.046 52 D HN 0.469 nan 8.370 nan 0.000 0.498 53 K N 1.915 122.332 120.400 0.029 0.000 2.281 53 K HA -0.134 4.202 4.320 0.025 0.000 0.203 53 K C 1.788 178.397 176.600 0.015 0.000 1.046 53 K CA 1.672 57.975 56.287 0.027 0.000 0.938 53 K CB -0.813 31.699 32.500 0.020 0.000 0.737 53 K HN 0.553 nan 8.250 nan 0.000 0.458 54 S N -0.609 115.092 115.700 0.002 0.000 2.603 54 S HA 0.148 4.633 4.470 0.025 0.000 0.220 54 S C 0.404 174.963 174.600 -0.068 0.000 0.967 54 S CA -0.078 58.106 58.200 -0.026 0.000 0.920 54 S CB -0.043 63.141 63.200 -0.026 0.000 0.773 54 S HN 0.548 nan 8.310 nan 0.000 0.529 55 K N 0.587 120.960 120.400 -0.045 0.000 2.507 55 K HA 0.238 4.573 4.320 0.025 0.000 0.251 55 K C -0.981 175.671 176.600 0.087 0.000 0.943 55 K CA -0.752 55.448 56.287 -0.146 0.000 0.794 55 K CB 1.009 33.395 32.500 -0.191 0.000 1.188 55 K HN 0.169 nan 8.250 nan 0.000 0.428 56 W N 4.328 125.638 121.300 0.016 0.000 5.271 56 W HA -0.280 4.396 4.660 0.026 0.000 0.364 56 W C -0.064 176.460 176.519 0.009 0.000 1.342 56 W CA 0.514 57.872 57.345 0.022 0.000 0.899 56 W CB -1.722 27.736 29.460 -0.003 0.000 2.450 56 W HN 0.843 nan 8.180 nan 0.000 1.508 57 M N -2.062 117.632 119.600 0.157 0.000 2.856 57 M HA -0.271 4.224 4.480 0.025 0.000 0.189 57 M C 1.411 177.766 176.300 0.091 0.000 0.612 57 M CA 2.422 57.783 55.300 0.102 0.000 0.673 57 M CB -2.570 30.090 32.600 0.100 0.000 2.440 57 M HN 1.026 nan 8.290 nan 0.000 0.437 58 G N -0.319 108.546 108.800 0.110 0.000 2.175 58 G HA2 -0.289 3.686 3.960 0.025 0.000 0.244 58 G HA3 -0.289 3.686 3.960 0.025 0.000 0.244 58 G C 0.618 175.550 174.900 0.054 0.000 0.982 58 G CA 0.489 45.631 45.100 0.071 0.000 0.641 58 G HN 0.522 nan 8.290 nan 0.000 0.527 59 K N 0.979 121.432 120.400 0.088 0.000 2.500 59 K HA 0.366 4.701 4.320 0.025 0.000 0.206 59 K C 1.504 178.042 176.600 -0.103 0.000 1.034 59 K CA 0.110 56.398 56.287 0.000 0.000 1.179 59 K CB 0.656 33.159 32.500 0.005 0.000 0.884 59 K HN 0.408 nan 8.250 nan 0.000 0.493 60 G N 0.862 109.642 108.800 -0.034 0.000 2.559 60 G HA2 0.080 4.055 3.960 0.025 0.000 0.235 60 G HA3 0.080 4.055 3.960 0.025 0.000 0.235 60 G C 0.697 175.398 174.900 -0.333 0.000 1.266 60 G CA -0.304 44.652 45.100 -0.241 0.000 0.847 60 G HN 0.142 nan 8.290 nan 0.000 0.583 61 V N 0.321 119.965 119.914 -0.451 0.000 3.070 61 V HA 0.284 4.419 4.120 0.025 0.000 0.345 61 V C 1.794 177.762 176.094 -0.211 0.000 1.403 61 V CA -0.121 61.996 62.300 -0.304 0.000 1.155 61 V CB -0.503 31.133 31.823 -0.312 0.000 1.140 61 V HN 0.628 nan 8.190 nan 0.000 0.505 62 L N -0.254 120.869 121.223 -0.167 0.000 2.127 62 L HA -0.119 4.236 4.340 0.025 0.000 0.211 62 L C 2.701 179.636 176.870 0.108 0.000 1.089 62 L CA 2.279 57.112 54.840 -0.012 0.000 0.757 62 L CB -0.844 41.276 42.059 0.103 0.000 0.899 62 L HN 0.513 nan 8.230 nan 0.000 0.434 63 H N -0.580 118.462 119.070 -0.047 0.000 2.357 63 H HA -0.087 4.484 4.556 0.025 0.000 0.301 63 H C 2.377 177.671 175.328 -0.057 0.000 1.082 63 H CA 0.707 56.732 56.048 -0.038 0.000 1.342 63 H CB 0.154 29.899 29.762 -0.028 0.000 1.389 63 H HN 0.394 nan 8.280 nan 0.000 0.511 64 A N 0.861 123.709 122.820 0.048 0.000 1.898 64 A HA -0.120 4.215 4.320 0.025 0.000 0.216 64 A C 2.644 180.194 177.584 -0.057 0.000 1.181 64 A CA 1.287 53.309 52.037 -0.025 0.000 0.620 64 A CB -0.815 18.145 19.000 -0.067 0.000 0.819 64 A HN 0.180 nan 8.150 nan 0.000 0.442 65 V N 0.325 120.191 119.914 -0.080 0.000 2.287 65 V HA -0.316 3.819 4.120 0.025 0.000 0.248 65 V C 2.559 178.608 176.094 -0.074 0.000 1.053 65 V CA 2.520 64.754 62.300 -0.111 0.000 1.027 65 V CB -0.674 31.066 31.823 -0.137 0.000 0.646 65 V HN 0.694 nan 8.190 nan 0.000 0.447 66 K N 0.030 120.414 120.400 -0.026 0.000 2.097 66 K HA -0.211 4.124 4.320 0.025 0.000 0.206 66 K C 2.009 178.599 176.600 -0.017 0.000 1.049 66 K CA 1.681 57.962 56.287 -0.010 0.000 0.933 66 K CB -0.175 32.328 32.500 0.006 0.000 0.717 66 K HN 0.436 nan 8.250 nan 0.000 0.442 67 N N 0.365 119.053 118.700 -0.021 0.000 2.223 67 N HA -0.139 4.616 4.740 0.025 0.000 0.185 67 N C 1.699 177.194 175.510 -0.025 0.000 1.016 67 N CA 1.131 54.168 53.050 -0.023 0.000 0.863 67 N CB -0.206 38.266 38.487 -0.025 0.000 0.983 67 N HN 0.029 nan 8.380 nan 0.000 0.429 68 V N 1.609 121.497 119.914 -0.044 0.000 2.283 68 V HA -0.128 4.007 4.120 0.025 0.000 0.243 68 V C 1.873 177.957 176.094 -0.016 0.000 1.039 68 V CA 1.333 63.604 62.300 -0.048 0.000 1.016 68 V CB -0.418 31.349 31.823 -0.093 0.000 0.650 68 V HN 0.291 nan 8.190 nan 0.000 0.449 69 N N 0.323 119.011 118.700 -0.019 0.000 2.270 69 N HA -0.114 4.642 4.740 0.025 0.000 0.181 69 N C 1.308 176.847 175.510 0.049 0.000 1.016 69 N CA 1.460 54.528 53.050 0.029 0.000 0.870 69 N CB -0.179 38.327 38.487 0.032 0.000 0.979 69 N HN 0.487 nan 8.380 nan 0.000 0.431 70 D N -0.954 119.464 120.400 0.030 0.000 2.392 70 D HA 0.111 4.766 4.640 0.025 0.000 0.206 70 D C 1.668 177.988 176.300 0.032 0.000 1.046 70 D CA 0.216 54.235 54.000 0.032 0.000 0.865 70 D CB 0.729 41.539 40.800 0.017 0.000 0.969 70 D HN 0.011 nan 8.370 nan 0.000 0.509 71 V N -0.120 119.811 119.914 0.029 0.000 3.001 71 V HA 0.127 4.262 4.120 0.025 0.000 0.228 71 V C 2.180 178.312 176.094 0.063 0.000 1.204 71 V CA -0.004 62.315 62.300 0.032 0.000 1.247 71 V CB 0.008 31.835 31.823 0.006 0.000 1.093 71 V HN -0.020 nan 8.190 nan 0.000 0.504 72 I N 1.272 121.875 120.570 0.056 0.000 2.163 72 I HA -0.185 4.000 4.170 0.025 0.000 0.240 72 I C 2.762 178.981 176.117 0.171 0.000 1.081 72 I CA 1.688 63.048 61.300 0.100 0.000 1.353 72 I CB -0.566 37.448 38.000 0.023 0.000 1.054 72 I HN 0.323 nan 8.210 nan 0.000 0.407 73 A N 1.768 124.658 122.820 0.117 0.000 1.859 73 A HA -0.151 4.185 4.320 0.025 0.000 0.217 73 A C 0.179 177.870 177.584 0.179 0.000 1.198 73 A CA 2.128 54.254 52.037 0.149 0.000 0.629 73 A CB -2.156 16.911 19.000 0.113 0.000 0.830 73 A HN 0.305 nan 8.150 nan 0.000 0.446 74 P HA -0.096 nan 4.420 nan 0.000 0.217 74 P C 1.544 178.934 177.300 0.150 0.000 1.150 74 P CA 1.925 65.097 63.100 0.121 0.000 0.832 74 P CB -0.183 31.571 31.700 0.089 0.000 0.787 75 A N -0.769 122.175 122.820 0.208 0.000 1.898 75 A HA -0.133 4.202 4.320 0.025 0.000 0.216 75 A C 2.174 179.975 177.584 0.362 0.000 1.181 75 A CA 1.075 53.292 52.037 0.299 0.000 0.620 75 A CB -1.741 17.455 19.000 0.328 0.000 0.819 75 A HN 0.126 nan 8.150 nan 0.000 0.442 76 F N 0.373 120.449 119.950 0.210 0.000 2.146 76 F HA -0.124 4.415 4.527 0.020 0.000 0.298 76 F C 2.275 178.024 175.800 -0.086 0.000 1.096 76 F CA 1.774 59.784 58.000 0.016 0.000 1.275 76 F CB 0.003 39.053 39.000 0.084 0.000 1.008 76 F HN 0.038 nan 8.300 nan 0.000 0.480 77 V N 0.570 120.557 119.914 0.122 0.000 2.343 77 V HA -0.329 3.806 4.120 0.025 0.000 0.247 77 V C 2.357 178.406 176.094 -0.074 0.000 1.051 77 V CA 2.277 64.588 62.300 0.018 0.000 1.036 77 V CB -0.738 31.135 31.823 0.084 0.000 0.654 77 V HN 0.284 nan 8.190 nan 0.000 0.451 78 K N 0.445 120.826 120.400 -0.032 0.000 2.057 78 K HA -0.173 4.163 4.320 0.025 0.000 0.207 78 K C 2.135 178.662 176.600 -0.123 0.000 1.049 78 K CA 1.591 57.853 56.287 -0.042 0.000 0.931 78 K CB -0.376 32.137 32.500 0.022 0.000 0.714 78 K HN 0.426 nan 8.250 nan 0.000 0.440 79 A N 1.276 123.952 122.820 -0.241 0.000 1.972 79 A HA -0.167 4.168 4.320 0.025 0.000 0.219 79 A C 0.800 178.146 177.584 -0.397 0.000 1.169 79 A CA 1.269 53.072 52.037 -0.391 0.000 0.635 79 A CB -0.526 17.936 19.000 -0.896 0.000 0.810 79 A HN 0.677 nan 8.150 nan 0.000 0.446 80 N N -0.998 117.447 118.700 -0.425 0.000 2.696 80 N HA -0.147 4.608 4.740 0.025 0.000 0.256 80 N C -0.661 174.637 175.510 -0.354 0.000 1.031 80 N CA 0.678 53.530 53.050 -0.330 0.000 0.730 80 N CB -1.699 36.675 38.487 -0.188 0.000 0.894 80 N HN 0.509 nan 8.380 nan 0.000 0.544 81 I N 0.325 120.573 120.570 -0.537 0.000 2.575 81 I HA 0.035 4.221 4.170 0.025 0.000 0.285 81 I C 1.001 176.969 176.117 -0.248 0.000 1.085 81 I CA -0.516 60.538 61.300 -0.410 0.000 1.403 81 I CB 0.448 38.129 38.000 -0.532 0.000 1.409 81 I HN 0.174 nan 8.210 nan 0.000 0.557 82 D N 5.075 125.388 120.400 -0.146 0.000 2.389 82 D HA -0.003 4.653 4.640 0.025 0.000 0.263 82 D C 1.137 177.409 176.300 -0.047 0.000 1.255 82 D CA -0.124 53.826 54.000 -0.083 0.000 0.914 82 D CB 1.127 41.895 40.800 -0.053 0.000 1.116 82 D HN 0.370 nan 8.370 nan 0.000 0.502 83 V N 2.587 122.481 119.914 -0.034 0.000 2.720 83 V HA -0.197 3.938 4.120 0.025 0.000 0.256 83 V C 1.888 177.997 176.094 0.024 0.000 1.082 83 V CA 1.157 63.465 62.300 0.014 0.000 1.101 83 V CB -0.668 31.149 31.823 -0.010 0.000 0.693 83 V HN 0.423 nan 8.190 nan 0.000 0.479 84 K N 0.524 120.925 120.400 0.002 0.000 2.211 84 K HA -0.083 4.252 4.320 0.025 0.000 0.203 84 K C 0.950 177.616 176.600 0.110 0.000 1.050 84 K CA 1.159 57.481 56.287 0.059 0.000 0.945 84 K CB -0.222 32.292 32.500 0.023 0.000 0.732 84 K HN 0.460 nan 8.250 nan 0.000 0.451 85 D N 1.323 121.760 120.400 0.061 0.000 2.558 85 D HA -0.014 4.641 4.640 0.025 0.000 0.221 85 D C 0.896 177.240 176.300 0.074 0.000 1.143 85 D CA 0.078 54.111 54.000 0.054 0.000 1.010 85 D CB 0.855 41.669 40.800 0.023 0.000 1.068 85 D HN -0.043 nan 8.370 nan 0.000 0.511 86 Q N 2.454 122.310 119.800 0.093 0.000 2.135 86 Q HA -0.220 4.135 4.340 0.025 0.000 0.204 86 Q C 2.120 178.168 176.000 0.081 0.000 0.981 86 Q CA 2.536 58.398 55.803 0.099 0.000 0.856 86 Q CB -0.108 28.684 28.738 0.090 0.000 0.902 86 Q HN 0.422 nan 8.270 nan 0.000 0.425 87 K N -0.120 120.315 120.400 0.060 0.000 2.057 87 K HA 0.009 4.344 4.320 0.025 0.000 0.207 87 K C 2.154 178.796 176.600 0.071 0.000 1.049 87 K CA 1.625 57.944 56.287 0.053 0.000 0.931 87 K CB -1.404 31.117 32.500 0.035 0.000 0.714 87 K HN 0.474 nan 8.250 nan 0.000 0.440 88 A N 0.508 123.369 122.820 0.069 0.000 1.930 88 A HA 0.069 4.404 4.320 0.025 0.000 0.217 88 A C 2.588 180.253 177.584 0.136 0.000 1.175 88 A CA 1.602 53.687 52.037 0.080 0.000 0.627 88 A CB -0.435 18.586 19.000 0.034 0.000 0.815 88 A HN 0.289 nan 8.150 nan 0.000 0.443 89 V N 0.697 120.698 119.914 0.145 0.000 2.287 89 V HA -0.258 3.878 4.120 0.025 0.000 0.248 89 V C 2.153 178.416 176.094 0.281 0.000 1.053 89 V CA 2.415 64.871 62.300 0.260 0.000 1.027 89 V CB -0.691 31.284 31.823 0.252 0.000 0.646 89 V HN 0.515 nan 8.190 nan 0.000 0.447 90 D N -0.563 119.939 120.400 0.170 0.000 2.149 90 D HA -0.137 4.518 4.640 0.025 0.000 0.201 90 D C 1.927 178.299 176.300 0.119 0.000 0.972 90 D CA 1.358 55.431 54.000 0.122 0.000 0.835 90 D CB -0.323 40.518 40.800 0.068 0.000 0.966 90 D HN 0.472 nan 8.370 nan 0.000 0.476 91 D N -0.067 120.406 120.400 0.122 0.000 2.123 91 D HA -0.200 4.455 4.640 0.025 0.000 0.196 91 D C 1.871 178.250 176.300 0.130 0.000 0.992 91 D CA 0.665 54.725 54.000 0.100 0.000 0.833 91 D CB -0.281 40.574 40.800 0.092 0.000 0.954 91 D HN 0.106 nan 8.370 nan 0.000 0.455 92 F N 0.576 120.564 119.950 0.063 0.000 2.075 92 F HA -0.067 4.478 4.527 0.030 0.000 0.297 92 F C 2.090 177.942 175.800 0.087 0.000 1.113 92 F CA 1.285 59.333 58.000 0.080 0.000 1.218 92 F CB -0.288 38.783 39.000 0.118 0.000 0.984 92 F HN -0.020 nan 8.300 nan 0.000 0.472 93 L N -0.119 121.232 121.223 0.212 0.000 2.017 93 L HA -0.240 4.115 4.340 0.025 0.000 0.208 93 L C 2.485 179.331 176.870 -0.041 0.000 1.073 93 L CA 1.501 56.379 54.840 0.064 0.000 0.745 93 L CB -0.790 41.323 42.059 0.089 0.000 0.894 93 L HN 0.169 nan 8.230 nan 0.000 0.432 94 I N -0.639 119.923 120.570 -0.014 0.000 2.208 94 I HA -0.297 3.888 4.170 0.025 0.000 0.245 94 I C 2.584 178.660 176.117 -0.068 0.000 1.097 94 I CA 1.260 62.540 61.300 -0.034 0.000 1.363 94 I CB -0.209 37.783 38.000 -0.013 0.000 1.051 94 I HN 0.177 nan 8.210 nan 0.000 0.413 95 S N 0.423 116.064 115.700 -0.098 0.000 2.402 95 S HA -0.062 4.423 4.470 0.025 0.000 0.229 95 S C 1.906 176.395 174.600 -0.184 0.000 1.021 95 S CA 0.777 58.898 58.200 -0.132 0.000 0.974 95 S CB -0.139 62.977 63.200 -0.139 0.000 0.800 95 S HN 0.248 nan 8.310 nan 0.000 0.484 96 L N 2.241 123.304 121.223 -0.267 0.000 2.083 96 L HA -0.102 4.254 4.340 0.025 0.000 0.209 96 L C 2.294 179.085 176.870 -0.131 0.000 1.083 96 L CA 1.724 56.419 54.840 -0.243 0.000 0.752 96 L CB -1.265 40.632 42.059 -0.270 0.000 0.899 96 L HN 0.428 nan 8.230 nan 0.000 0.433 97 D N -0.705 119.634 120.400 -0.101 0.000 2.110 97 D HA -0.116 4.540 4.640 0.025 0.000 0.202 97 D C 1.568 177.833 176.300 -0.058 0.000 0.975 97 D CA 1.364 55.324 54.000 -0.067 0.000 0.839 97 D CB 0.523 41.291 40.800 -0.054 0.000 0.996 97 D HN 0.376 nan 8.370 nan 0.000 0.464 98 G N 0.663 109.427 108.800 -0.060 0.000 2.184 98 G HA2 -0.255 3.720 3.960 0.025 0.000 0.264 98 G HA3 -0.255 3.720 3.960 0.025 0.000 0.264 98 G C 0.538 175.416 174.900 -0.036 0.000 0.975 98 G CA 1.179 46.249 45.100 -0.049 0.000 0.642 98 G HN 0.724 nan 8.290 nan 0.000 0.536 99 T N -3.245 111.289 114.554 -0.032 0.000 2.918 99 T HA 0.835 5.200 4.350 0.025 0.000 0.286 99 T C 1.470 176.157 174.700 -0.022 0.000 1.026 99 T CA 0.355 62.440 62.100 -0.024 0.000 1.031 99 T CB 1.956 70.812 68.868 -0.020 0.000 1.046 99 T HN 1.368 nan 8.240 nan 0.000 0.479 100 A N 2.671 125.481 122.820 -0.017 0.000 1.873 100 A HA -0.136 4.199 4.320 0.025 0.000 0.218 100 A C 1.944 179.521 177.584 -0.012 0.000 1.193 100 A CA 1.948 53.976 52.037 -0.014 0.000 0.629 100 A CB -1.032 17.962 19.000 -0.010 0.000 0.826 100 A HN 0.976 nan 8.150 nan 0.000 0.447 101 N N -1.101 117.595 118.700 -0.007 0.000 2.276 101 N HA 0.063 4.818 4.740 0.025 0.000 0.212 101 N C -0.259 175.244 175.510 -0.012 0.000 1.127 101 N CA 0.491 53.538 53.050 -0.004 0.000 0.834 101 N CB -0.233 38.257 38.487 0.006 0.000 1.014 101 N HN 0.516 nan 8.380 nan 0.000 0.491 102 K N -0.631 119.758 120.400 -0.018 0.000 3.096 102 K HA -0.152 4.184 4.320 0.025 0.000 0.266 102 K C 0.066 176.653 176.600 -0.022 0.000 1.043 102 K CA 0.650 56.923 56.287 -0.024 0.000 0.758 102 K CB -1.931 30.552 32.500 -0.028 0.000 1.260 102 K HN 0.179 nan 8.250 nan 0.000 0.481 103 S N -0.124 115.566 115.700 -0.017 0.000 2.496 103 S HA -0.050 4.435 4.470 0.025 0.000 0.224 103 S C 1.711 176.303 174.600 -0.014 0.000 0.996 103 S CA 0.698 58.891 58.200 -0.013 0.000 0.927 103 S CB 0.192 63.387 63.200 -0.008 0.000 0.774 103 S HN 0.432 nan 8.310 nan 0.000 0.524 104 K N 1.269 121.657 120.400 -0.020 0.000 2.007 104 K HA 0.080 4.415 4.320 0.025 0.000 0.206 104 K C 1.599 178.186 176.600 -0.023 0.000 1.047 104 K CA 1.076 57.349 56.287 -0.022 0.000 0.937 104 K CB -0.077 32.405 32.500 -0.030 0.000 0.718 104 K HN 0.285 nan 8.250 nan 0.000 0.438 105 L N -0.529 120.677 121.223 -0.028 0.000 2.470 105 L HA 0.258 4.613 4.340 0.025 0.000 0.219 105 L C 0.502 177.356 176.870 -0.028 0.000 1.071 105 L CA 0.209 55.031 54.840 -0.029 0.000 0.850 105 L CB 0.537 42.574 42.059 -0.038 0.000 1.040 105 L HN 0.506 nan 8.230 nan 0.000 0.475 106 G N -0.507 108.275 108.800 -0.029 0.000 2.907 106 G HA2 -0.050 3.925 3.960 0.025 0.000 0.686 106 G HA3 -0.050 3.925 3.960 0.025 0.000 0.686 106 G C 0.453 175.327 174.900 -0.044 0.000 1.115 106 G CA -0.348 44.733 45.100 -0.033 0.000 0.760 106 G HN 0.152 nan 8.290 nan 0.000 0.620 107 A N 1.658 124.452 122.820 -0.044 0.000 2.019 107 A HA -0.048 4.287 4.320 0.025 0.000 0.219 107 A C 2.193 179.738 177.584 -0.065 0.000 1.164 107 A CA 2.160 54.167 52.037 -0.050 0.000 0.644 107 A CB -0.363 18.611 19.000 -0.043 0.000 0.805 107 A HN 1.642 nan 8.150 nan 0.000 0.449 108 N N 0.211 118.870 118.700 -0.068 0.000 2.467 108 N HA 0.161 4.917 4.740 0.025 0.000 0.184 108 N C 1.187 176.641 175.510 -0.093 0.000 1.106 108 N CA 1.181 54.180 53.050 -0.085 0.000 0.892 108 N CB -0.309 38.123 38.487 -0.092 0.000 0.969 108 N HN 0.360 nan 8.380 nan 0.000 0.454 109 A N 0.866 123.637 122.820 -0.081 0.000 1.924 109 A HA 0.291 4.627 4.320 0.025 0.000 0.211 109 A C 2.224 179.753 177.584 -0.091 0.000 1.198 109 A CA 0.114 52.100 52.037 -0.084 0.000 0.657 109 A CB -0.293 18.669 19.000 -0.065 0.000 0.852 109 A HN 0.169 nan 8.150 nan 0.000 0.454 110 I N -0.520 120.002 120.570 -0.081 0.000 2.233 110 I HA -0.181 4.004 4.170 0.025 0.000 0.243 110 I C 2.399 178.454 176.117 -0.104 0.000 1.093 110 I CA 0.994 62.244 61.300 -0.083 0.000 1.380 110 I CB -0.168 37.796 38.000 -0.061 0.000 1.067 110 I HN 0.372 nan 8.210 nan 0.000 0.413 111 L N 1.183 122.344 121.223 -0.103 0.000 2.042 111 L HA -0.126 4.229 4.340 0.025 0.000 0.210 111 L C 2.363 179.139 176.870 -0.158 0.000 1.076 111 L CA 2.275 57.040 54.840 -0.125 0.000 0.749 111 L CB -1.204 40.784 42.059 -0.118 0.000 0.893 111 L HN 0.218 nan 8.230 nan 0.000 0.432 112 G N -1.126 107.587 108.800 -0.145 0.000 2.469 112 G HA2 -0.232 3.743 3.960 0.025 0.000 0.219 112 G HA3 -0.232 3.743 3.960 0.025 0.000 0.219 112 G C 1.487 176.294 174.900 -0.154 0.000 1.150 112 G CA 1.243 46.256 45.100 -0.145 0.000 0.763 112 G HN 0.370 nan 8.290 nan 0.000 0.561 113 V N 0.587 120.394 119.914 -0.178 0.000 2.358 113 V HA -0.157 3.978 4.120 0.025 0.000 0.246 113 V C 2.948 178.909 176.094 -0.222 0.000 1.047 113 V CA 2.061 64.210 62.300 -0.251 0.000 1.035 113 V CB -0.558 31.040 31.823 -0.375 0.000 0.658 113 V HN 0.467 nan 8.190 nan 0.000 0.452 114 S N -0.067 115.532 115.700 -0.169 0.000 2.359 114 S HA -0.187 4.298 4.470 0.025 0.000 0.223 114 S C 1.922 176.450 174.600 -0.120 0.000 1.039 114 S CA 1.981 60.114 58.200 -0.112 0.000 1.042 114 S CB -0.327 62.815 63.200 -0.096 0.000 0.915 114 S HN 0.511 nan 8.310 nan 0.000 0.439 115 L N 0.776 121.870 121.223 -0.215 0.000 2.072 115 L HA 0.019 4.374 4.340 0.025 0.000 0.205 115 L C 2.961 179.770 176.870 -0.102 0.000 1.079 115 L CA 1.124 55.766 54.840 -0.330 0.000 0.752 115 L CB -0.768 40.907 42.059 -0.639 0.000 0.906 115 L HN 0.393 nan 8.230 nan 0.000 0.436 116 A N 0.309 123.088 122.820 -0.070 0.000 1.933 116 A HA -0.162 4.173 4.320 0.025 0.000 0.218 116 A C 2.556 180.146 177.584 0.011 0.000 1.175 116 A CA 1.662 53.714 52.037 0.025 0.000 0.628 116 A CB -0.652 18.367 19.000 0.032 0.000 0.814 116 A HN 0.395 nan 8.150 nan 0.000 0.444 117 A N 0.466 123.276 122.820 -0.017 0.000 1.908 117 A HA -0.155 4.180 4.320 0.025 0.000 0.218 117 A C 2.537 180.116 177.584 -0.008 0.000 1.181 117 A CA 2.544 54.587 52.037 0.010 0.000 0.627 117 A CB -1.017 18.028 19.000 0.074 0.000 0.818 117 A HN 1.056 nan 8.150 nan 0.000 0.445 118 S N -0.571 115.171 115.700 0.069 0.000 2.383 118 S HA -0.148 4.338 4.470 0.025 0.000 0.227 118 S C 2.050 176.677 174.600 0.045 0.000 1.026 118 S CA 0.960 59.264 58.200 0.173 0.000 0.981 118 S CB -0.456 62.952 63.200 0.347 0.000 0.818 118 S HN 0.548 nan 8.310 nan 0.000 0.472 119 R N 1.612 122.132 120.500 0.032 0.000 2.083 119 R HA 0.032 4.387 4.340 0.025 0.000 0.237 119 R C 2.763 178.717 176.300 -0.576 0.000 1.137 119 R CA 1.477 57.531 56.100 -0.075 0.000 0.951 119 R CB -1.246 29.131 30.300 0.129 0.000 0.851 119 R HN 0.610 nan 8.270 nan 0.000 0.434 120 A N 1.068 123.398 122.820 -0.817 0.000 1.933 120 A HA -0.079 4.256 4.320 0.025 0.000 0.218 120 A C 2.377 179.557 177.584 -0.674 0.000 1.175 120 A CA 1.736 53.017 52.037 -1.260 0.000 0.628 120 A CB -0.475 18.135 19.000 -0.649 0.000 0.814 120 A HN 0.388 nan 8.150 nan 0.000 0.444 121 A N -0.108 122.433 122.820 -0.466 0.000 1.898 121 A HA 0.194 4.529 4.320 0.025 0.000 0.216 121 A C 2.511 179.741 177.584 -0.590 0.000 1.181 121 A CA 1.961 53.714 52.037 -0.472 0.000 0.620 121 A CB -1.036 17.671 19.000 -0.489 0.000 0.819 121 A HN 1.046 nan 8.150 nan 0.000 0.442 122 A N 0.045 122.483 122.820 -0.637 0.000 1.883 122 A HA 0.080 4.415 4.320 0.025 0.000 0.217 122 A C 2.523 179.962 177.584 -0.242 0.000 1.186 122 A CA 2.361 54.157 52.037 -0.400 0.000 0.624 122 A CB -1.098 17.773 19.000 -0.214 0.000 0.822 122 A HN 1.093 nan 8.150 nan 0.000 0.444 123 A N -0.554 122.117 122.820 -0.247 0.000 1.877 123 A HA -0.212 4.123 4.320 0.025 0.000 0.216 123 A C 2.045 179.578 177.584 -0.085 0.000 1.186 123 A CA 1.868 53.849 52.037 -0.093 0.000 0.620 123 A CB -0.623 18.392 19.000 0.024 0.000 0.822 123 A HN 0.675 nan 8.150 nan 0.000 0.443 124 E N -0.063 120.045 120.200 -0.152 0.000 2.118 124 E HA -0.225 4.141 4.350 0.025 0.000 0.195 124 E C 1.638 178.189 176.600 -0.082 0.000 0.992 124 E CA 1.526 57.867 56.400 -0.100 0.000 0.804 124 E CB -0.084 29.544 29.700 -0.120 0.000 0.741 124 E HN 0.635 nan 8.360 nan 0.000 0.458 125 K N 0.226 120.558 120.400 -0.114 0.000 2.459 125 K HA -0.024 4.311 4.320 0.025 0.000 0.193 125 K C 0.497 177.064 176.600 -0.055 0.000 1.030 125 K CA 0.389 56.630 56.287 -0.076 0.000 1.026 125 K CB 0.073 32.524 32.500 -0.082 0.000 0.809 125 K HN 0.053 nan 8.250 nan 0.000 0.504 126 N N 0.829 119.495 118.700 -0.058 0.000 2.714 126 N HA -0.152 4.603 4.740 0.025 0.000 0.253 126 N C -1.154 174.323 175.510 -0.055 0.000 1.024 126 N CA 0.830 53.855 53.050 -0.041 0.000 0.726 126 N CB -1.218 37.256 38.487 -0.022 0.000 0.908 126 N HN 0.124 nan 8.380 nan 0.000 0.542 127 V N -2.332 117.532 119.914 -0.084 0.000 2.914 127 V HA 0.881 5.016 4.120 0.025 0.000 0.314 127 V C -2.218 173.767 176.094 -0.181 0.000 1.084 127 V CA -2.005 60.223 62.300 -0.120 0.000 0.963 127 V CB 2.015 33.780 31.823 -0.096 0.000 1.025 127 V HN 0.014 nan 8.190 nan 0.000 0.432 128 P HA 0.126 nan 4.420 nan 0.000 0.268 128 P C 0.757 177.795 177.300 -0.436 0.000 1.208 128 P CA -0.194 62.654 63.100 -0.420 0.000 0.777 128 P CB 0.725 31.948 31.700 -0.795 0.000 0.875 129 L N 3.448 124.524 121.223 -0.245 0.000 2.043 129 L HA -0.239 4.117 4.340 0.025 0.000 0.212 129 L C 2.360 179.155 176.870 -0.124 0.000 1.075 129 L CA 1.967 56.737 54.840 -0.116 0.000 0.752 129 L CB -1.705 40.321 42.059 -0.054 0.000 0.891 129 L HN 0.486 nan 8.230 nan 0.000 0.432 130 Y N -1.477 118.773 120.300 -0.083 0.000 2.274 130 Y HA -0.120 4.449 4.550 0.032 0.000 0.290 130 Y C 2.172 178.067 175.900 -0.008 0.000 1.145 130 Y CA 1.260 59.308 58.100 -0.087 0.000 1.203 130 Y CB -1.135 37.243 38.460 -0.136 0.000 0.984 130 Y HN 0.099 nan 8.280 nan 0.000 0.533 131 K N -0.345 119.851 120.400 -0.340 0.000 2.103 131 K HA -0.186 4.149 4.320 0.025 0.000 0.204 131 K C 1.954 178.589 176.600 0.059 0.000 1.052 131 K CA 1.542 57.800 56.287 -0.048 0.000 0.945 131 K CB -0.448 31.940 32.500 -0.186 0.000 0.722 131 K HN 0.455 nan 8.250 nan 0.000 0.443 132 H N 1.491 120.512 119.070 -0.081 0.000 2.357 132 H HA -0.003 4.575 4.556 0.036 0.000 0.301 132 H C 1.828 177.165 175.328 0.014 0.000 1.082 132 H CA 1.377 57.406 56.048 -0.033 0.000 1.342 132 H CB -0.195 29.533 29.762 -0.056 0.000 1.389 132 H HN 0.016 nan 8.280 nan 0.000 0.511 133 L N -0.362 120.813 121.223 -0.081 0.000 2.083 133 L HA -0.109 4.246 4.340 0.025 0.000 0.209 133 L C 2.808 179.657 176.870 -0.036 0.000 1.083 133 L CA 0.905 55.689 54.840 -0.094 0.000 0.752 133 L CB -0.699 41.341 42.059 -0.032 0.000 0.899 133 L HN 0.416 nan 8.230 nan 0.000 0.433 134 A N 0.067 122.918 122.820 0.051 0.000 1.933 134 A HA -0.230 4.105 4.320 0.025 0.000 0.218 134 A C 1.894 179.483 177.584 0.007 0.000 1.175 134 A CA 1.977 54.059 52.037 0.076 0.000 0.628 134 A CB -0.465 18.655 19.000 0.201 0.000 0.814 134 A HN 0.345 nan 8.150 nan 0.000 0.444 135 D N 0.223 120.608 120.400 -0.025 0.000 2.097 135 D HA -0.124 4.531 4.640 0.025 0.000 0.195 135 D C 1.929 178.178 176.300 -0.085 0.000 0.989 135 D CA 1.125 55.098 54.000 -0.045 0.000 0.827 135 D CB -0.416 40.369 40.800 -0.025 0.000 0.966 135 D HN 0.460 nan 8.370 nan 0.000 0.456 136 L N 0.768 121.884 121.223 -0.179 0.000 2.131 136 L HA -0.120 4.235 4.340 0.025 0.000 0.210 136 L C 2.176 179.017 176.870 -0.049 0.000 1.092 136 L CA 1.342 56.099 54.840 -0.138 0.000 0.759 136 L CB -0.404 41.534 42.059 -0.201 0.000 0.903 136 L HN 0.071 nan 8.230 nan 0.000 0.435 137 S N -1.832 113.854 115.700 -0.024 0.000 2.556 137 S HA 0.059 4.544 4.470 0.025 0.000 0.216 137 S C 0.766 175.379 174.600 0.022 0.000 0.970 137 S CA -0.404 57.809 58.200 0.021 0.000 0.912 137 S CB 0.036 63.271 63.200 0.059 0.000 0.790 137 S HN 0.300 nan 8.310 nan 0.000 0.504 138 K N 1.826 122.226 120.400 -0.001 0.000 3.096 138 K HA -0.142 4.193 4.320 0.025 0.000 0.266 138 K C -0.144 176.447 176.600 -0.016 0.000 1.043 138 K CA 0.674 56.956 56.287 -0.008 0.000 0.758 138 K CB -2.478 30.019 32.500 -0.004 0.000 1.260 138 K HN 0.773 nan 8.250 nan 0.000 0.481 139 S N 0.154 115.842 115.700 -0.019 0.000 2.610 139 S HA 0.304 4.789 4.470 0.025 0.000 0.273 139 S C 0.170 174.709 174.600 -0.103 0.000 1.274 139 S CA -0.975 57.194 58.200 -0.052 0.000 1.023 139 S CB 2.190 65.374 63.200 -0.027 0.000 0.962 139 S HN 0.321 nan 8.310 nan 0.000 0.523 140 K N 0.350 120.668 120.400 -0.138 0.000 2.436 140 K HA 0.118 4.453 4.320 0.025 0.000 0.275 140 K C 0.646 177.076 176.600 -0.283 0.000 0.999 140 K CA 0.501 56.686 56.287 -0.170 0.000 0.980 140 K CB 0.225 32.633 32.500 -0.154 0.000 0.919 140 K HN 0.892 nan 8.250 nan 0.000 0.484 141 T N -1.129 113.221 114.554 -0.341 0.000 3.145 141 T HA 0.102 4.467 4.350 0.025 0.000 0.281 141 T C -0.332 174.082 174.700 -0.477 0.000 1.003 141 T CA -0.375 61.313 62.100 -0.686 0.000 0.901 141 T CB -0.008 68.466 68.868 -0.657 0.000 1.112 141 T HN 0.382 nan 8.240 nan 0.000 0.535 142 S N 2.256 117.811 115.700 -0.242 0.000 2.399 142 S HA 0.608 5.093 4.470 0.025 0.000 0.215 142 S C -2.885 171.668 174.600 -0.078 0.000 1.456 142 S CA -1.141 56.990 58.200 -0.115 0.000 1.199 142 S CB 1.297 64.456 63.200 -0.070 0.000 1.063 142 S HN 0.252 nan 8.310 nan 0.000 0.476 143 P HA 0.437 nan 4.420 nan 0.000 0.287 143 P C -0.814 176.438 177.300 -0.080 0.000 1.296 143 P CA -0.774 62.315 63.100 -0.019 0.000 0.811 143 P CB 0.634 32.362 31.700 0.047 0.000 1.211 144 Y N -1.213 119.093 120.300 0.010 0.000 2.379 144 Y HA 0.268 4.833 4.550 0.026 0.000 0.337 144 Y C 0.747 176.639 175.900 -0.012 0.000 1.238 144 Y CA 0.078 58.178 58.100 -0.001 0.000 1.405 144 Y CB 0.574 39.032 38.460 -0.004 0.000 1.310 144 Y HN -0.066 nan 8.280 nan 0.000 0.569 145 V N 4.516 124.512 119.914 0.135 0.000 2.409 145 V HA 0.217 4.353 4.120 0.025 0.000 0.291 145 V C -0.433 175.698 176.094 0.062 0.000 1.020 145 V CA -0.984 61.360 62.300 0.074 0.000 0.848 145 V CB 1.377 33.215 31.823 0.024 0.000 0.990 145 V HN 0.485 nan 8.190 nan 0.000 0.430 146 L N 7.674 128.947 121.223 0.084 0.000 2.326 146 L HA 0.481 4.837 4.340 0.025 0.000 0.278 146 L C -2.029 174.929 176.870 0.146 0.000 1.092 146 L CA -1.456 53.440 54.840 0.094 0.000 0.810 146 L CB 1.779 43.949 42.059 0.185 0.000 1.153 146 L HN 0.424 nan 8.230 nan 0.000 0.439 147 P HA 0.121 nan 4.420 nan 0.000 0.277 147 P C -0.478 177.003 177.300 0.302 0.000 1.240 147 P CA -0.466 62.729 63.100 0.160 0.000 0.798 147 P CB 1.262 33.056 31.700 0.158 0.000 0.979 148 V N 4.568 124.539 119.914 0.095 0.000 2.521 148 V HA 0.105 4.241 4.120 0.025 0.000 0.286 148 V C -1.696 174.533 176.094 0.224 0.000 1.034 148 V CA -1.043 61.329 62.300 0.120 0.000 1.045 148 V CB 0.155 31.891 31.823 -0.145 0.000 0.974 148 V HN 0.586 nan 8.190 nan 0.000 0.480 149 P HA 0.272 nan 4.420 nan 0.000 0.287 149 P C -0.850 176.447 177.300 -0.005 0.000 1.294 149 P CA -0.311 62.898 63.100 0.181 0.000 0.776 149 P CB 0.380 32.178 31.700 0.163 0.000 0.889 150 F N 3.609 123.539 119.950 -0.032 0.000 2.405 150 F HA 0.252 4.794 4.527 0.025 0.000 0.358 150 F C 0.774 176.544 175.800 -0.051 0.000 1.151 150 F CA -0.406 57.557 58.000 -0.062 0.000 1.161 150 F CB 0.304 39.264 39.000 -0.067 0.000 1.245 150 F HN 0.028 nan 8.300 nan 0.000 0.545 151 L N 3.784 125.026 121.223 0.031 0.000 2.260 151 L HA 0.260 4.616 4.340 0.025 0.000 0.289 151 L C 0.298 177.203 176.870 0.059 0.000 1.057 151 L CA -0.623 54.220 54.840 0.005 0.000 0.811 151 L CB 0.567 42.591 42.059 -0.058 0.000 1.184 151 L HN 0.430 nan 8.230 nan 0.000 0.429 152 N N 2.999 121.746 118.700 0.078 0.000 2.605 152 N HA 0.069 4.825 4.740 0.025 0.000 0.258 152 N C 0.654 176.261 175.510 0.161 0.000 1.156 152 N CA -0.313 52.823 53.050 0.143 0.000 1.008 152 N CB 0.973 39.571 38.487 0.185 0.000 1.354 152 N HN 0.489 nan 8.380 nan 0.000 0.509 153 V N 1.091 121.117 119.914 0.186 0.000 3.406 153 V HA 0.311 4.446 4.120 0.025 0.000 0.263 153 V C 0.638 176.865 176.094 0.221 0.000 1.172 153 V CA 0.410 62.868 62.300 0.263 0.000 1.140 153 V CB -0.546 31.438 31.823 0.269 0.000 0.784 153 V HN 0.416 nan 8.190 nan 0.000 0.467 154 L N 1.633 122.977 121.223 0.200 0.000 2.441 154 L HA 0.555 4.910 4.340 0.025 0.000 0.270 154 L C -0.976 176.033 176.870 0.231 0.000 0.973 154 L CA -0.271 54.657 54.840 0.145 0.000 0.842 154 L CB 1.694 43.758 42.059 0.009 0.000 1.239 154 L HN 0.231 nan 8.230 nan 0.000 0.406 155 N N 2.998 121.806 118.700 0.179 0.000 2.421 155 N HA 0.698 5.453 4.740 0.025 0.000 0.285 155 N C -0.302 175.306 175.510 0.164 0.000 1.027 155 N CA -0.426 52.746 53.050 0.204 0.000 0.918 155 N CB 2.027 40.632 38.487 0.197 0.000 1.152 155 N HN 0.677 nan 8.380 nan 0.000 0.485 156 G N 0.110 109.017 108.800 0.179 0.000 3.183 156 G HA2 0.685 4.660 3.960 0.025 0.000 0.247 156 G HA3 0.685 4.660 3.960 0.025 0.000 0.247 156 G C 0.311 175.268 174.900 0.096 0.000 1.211 156 G CA -0.109 45.070 45.100 0.131 0.000 0.835 156 G HN 0.749 nan 8.290 nan 0.000 0.604 157 G N -0.170 108.701 108.800 0.119 0.000 2.652 157 G HA2 -0.288 3.687 3.960 0.025 0.000 0.318 157 G HA3 -0.288 3.687 3.960 0.025 0.000 0.318 157 G C 1.511 176.495 174.900 0.141 0.000 1.295 157 G CA 1.210 46.435 45.100 0.208 0.000 0.999 157 G HN 1.485 nan 8.290 nan 0.000 0.548 158 S N 0.432 116.200 115.700 0.115 0.000 2.515 158 S HA 0.020 4.505 4.470 0.025 0.000 0.231 158 S C 1.582 176.320 174.600 0.229 0.000 0.987 158 S CA 1.544 59.828 58.200 0.141 0.000 0.936 158 S CB -0.210 63.065 63.200 0.126 0.000 0.766 158 S HN 0.598 nan 8.310 nan 0.000 0.528 159 H N 0.626 119.746 119.070 0.083 0.000 2.575 159 H HA 0.607 5.178 4.556 0.026 0.000 0.267 159 H C 0.514 175.874 175.328 0.054 0.000 0.966 159 H CA -0.063 56.021 56.048 0.060 0.000 1.165 159 H CB 0.135 29.934 29.762 0.063 0.000 1.433 159 H HN 0.349 nan 8.280 nan 0.000 0.544 160 A N -0.266 122.649 122.820 0.158 0.000 2.589 160 A HA 0.586 4.921 4.320 0.025 0.000 0.296 160 A C 0.167 177.776 177.584 0.041 0.000 1.062 160 A CA -0.285 51.807 52.037 0.092 0.000 0.686 160 A CB 0.781 19.835 19.000 0.090 0.000 1.282 160 A HN 0.226 nan 8.150 nan 0.000 0.404 161 G N 0.078 108.891 108.800 0.021 0.000 2.361 161 G HA2 0.649 4.624 3.960 0.025 0.000 0.260 161 G HA3 0.649 4.624 3.960 0.025 0.000 0.260 161 G C 0.401 175.284 174.900 -0.029 0.000 1.261 161 G CA 0.677 45.772 45.100 -0.009 0.000 0.897 161 G HN 2.093 nan 8.290 nan 0.000 0.499 162 G N -0.101 108.664 108.800 -0.058 0.000 2.337 162 G HA2 0.538 4.514 3.960 0.025 0.000 0.298 162 G HA3 0.538 4.514 3.960 0.025 0.000 0.298 162 G C 0.360 175.194 174.900 -0.110 0.000 1.335 162 G CA -0.036 45.017 45.100 -0.077 0.000 0.875 162 G HN 1.301 nan 8.290 nan 0.000 0.579 163 A N -0.895 121.857 122.820 -0.113 0.000 2.178 163 A HA 0.515 4.850 4.320 0.025 0.000 0.211 163 A C 1.230 178.738 177.584 -0.127 0.000 1.157 163 A CA 0.750 52.710 52.037 -0.128 0.000 0.780 163 A CB -0.208 18.732 19.000 -0.100 0.000 0.828 163 A HN 1.468 nan 8.150 nan 0.000 0.476 164 L N 0.610 121.776 121.223 -0.095 0.000 2.500 164 L HA 0.339 4.694 4.340 0.025 0.000 0.272 164 L C 1.339 178.218 176.870 0.015 0.000 1.149 164 L CA 0.407 55.225 54.840 -0.038 0.000 0.897 164 L CB 0.429 42.478 42.059 -0.017 0.000 1.178 164 L HN 0.242 nan 8.230 nan 0.000 0.473 165 A N 6.049 128.889 122.820 0.033 0.000 1.854 165 A HA 0.075 4.410 4.320 0.025 0.000 0.214 165 A C 1.001 178.733 177.584 0.248 0.000 1.192 165 A CA 0.522 52.657 52.037 0.162 0.000 0.611 165 A CB -0.544 18.381 19.000 -0.125 0.000 0.832 165 A HN 0.634 nan 8.150 nan 0.000 0.442 166 L N 0.510 121.822 121.223 0.148 0.000 2.490 166 L HA -0.020 4.336 4.340 0.025 0.000 0.274 166 L C 1.634 178.570 176.870 0.110 0.000 1.201 166 L CA 0.069 54.980 54.840 0.119 0.000 0.869 166 L CB 0.607 42.645 42.059 -0.034 0.000 1.123 166 L HN 0.625 nan 8.230 nan 0.000 0.484 167 Q N 2.364 122.164 119.800 0.000 0.000 2.062 167 Q HA 0.006 4.361 4.340 0.025 0.000 0.196 167 Q C -0.258 175.734 176.000 -0.014 0.000 0.967 167 Q CA 0.998 56.771 55.803 -0.050 0.000 0.832 167 Q CB 0.508 29.128 28.738 -0.195 0.000 0.899 167 Q HN 0.680 nan 8.270 nan 0.000 0.442 168 E N -0.527 119.609 120.200 -0.106 0.000 2.272 168 E HA 0.365 4.731 4.350 0.025 0.000 0.269 168 E C -1.668 174.784 176.600 -0.247 0.000 0.877 168 E CA -0.477 55.913 56.400 -0.018 0.000 0.755 168 E CB 1.768 31.488 29.700 0.033 0.000 1.192 168 E HN 0.052 nan 8.360 nan 0.000 0.422 169 F N 2.422 122.397 119.950 0.041 0.000 2.460 169 F HA 0.454 4.997 4.527 0.025 0.000 0.341 169 F C -0.061 175.769 175.800 0.051 0.000 1.130 169 F CA -0.611 57.403 58.000 0.023 0.000 0.962 169 F CB 1.150 40.145 39.000 -0.008 0.000 1.171 169 F HN 0.174 nan 8.300 nan 0.000 0.436 170 M N 5.040 124.744 119.600 0.173 0.000 2.528 170 M HA 0.622 5.117 4.480 0.025 0.000 0.321 170 M C -0.625 175.732 176.300 0.095 0.000 1.153 170 M CA -0.938 54.453 55.300 0.152 0.000 0.951 170 M CB 2.640 35.365 32.600 0.208 0.000 1.705 170 M HN 0.500 nan 8.290 nan 0.000 0.451 171 I N -0.231 120.355 120.570 0.026 0.000 2.493 171 I HA 0.922 5.107 4.170 0.025 0.000 0.298 171 I C -0.697 175.274 176.117 -0.243 0.000 0.998 171 I CA -0.772 60.487 61.300 -0.069 0.000 1.137 171 I CB 1.881 39.862 38.000 -0.033 0.000 1.310 171 I HN 0.695 nan 8.210 nan 0.000 0.445 172 A N 5.707 128.289 122.820 -0.397 0.000 2.409 172 A HA 0.703 5.038 4.320 0.025 0.000 0.300 172 A C -2.646 174.694 177.584 -0.406 0.000 1.273 172 A CA -1.510 50.105 52.037 -0.704 0.000 0.774 172 A CB 0.527 18.628 19.000 -1.499 0.000 1.144 172 A HN 0.595 nan 8.150 nan 0.000 0.472 173 P HA 0.084 nan 4.420 nan 0.000 0.235 173 P C 1.209 178.497 177.300 -0.020 0.000 1.765 173 P CA 0.281 63.293 63.100 -0.146 0.000 1.034 173 P CB -0.110 31.485 31.700 -0.176 0.000 1.984 174 T N -2.833 111.681 114.554 -0.066 0.000 3.035 174 T HA -0.055 4.310 4.350 0.025 0.000 0.268 174 T C 1.918 176.698 174.700 0.134 0.000 1.109 174 T CA 1.137 63.252 62.100 0.024 0.000 1.119 174 T CB -0.710 68.151 68.868 -0.012 0.000 0.900 174 T HN 0.241 nan 8.240 nan 0.000 0.503 175 G N 0.872 109.721 108.800 0.082 0.000 2.920 175 G HA2 0.473 4.448 3.960 0.025 0.000 0.208 175 G HA3 0.473 4.448 3.960 0.025 0.000 0.208 175 G C 0.609 175.556 174.900 0.079 0.000 1.159 175 G CA 0.065 45.212 45.100 0.079 0.000 0.784 175 G HN 0.838 nan 8.290 nan 0.000 0.535 176 A N -0.618 122.256 122.820 0.090 0.000 2.332 176 A HA 0.613 4.949 4.320 0.025 0.000 0.258 176 A C 1.547 179.148 177.584 0.029 0.000 1.087 176 A CA 0.624 52.632 52.037 -0.048 0.000 0.802 176 A CB 0.601 19.425 19.000 -0.293 0.000 1.042 176 A HN 0.435 nan 8.150 nan 0.000 0.489 177 K N -0.039 120.312 120.400 -0.082 0.000 2.284 177 K HA 0.325 4.661 4.320 0.025 0.000 0.198 177 K C 0.864 177.422 176.600 -0.071 0.000 1.048 177 K CA 1.685 57.974 56.287 0.005 0.000 0.987 177 K CB -0.528 31.969 32.500 -0.005 0.000 0.800 177 K HN 1.395 nan 8.250 nan 0.000 0.486 178 T N -4.869 109.467 114.554 -0.363 0.000 2.901 178 T HA 0.533 4.898 4.350 0.025 0.000 0.293 178 T C 0.509 174.696 174.700 -0.854 0.000 1.084 178 T CA -0.368 61.506 62.100 -0.378 0.000 1.008 178 T CB 1.157 69.928 68.868 -0.161 0.000 1.170 178 T HN 0.123 nan 8.240 nan 0.000 0.509 179 F N 1.623 121.199 119.950 -0.624 0.000 2.134 179 F HA 0.107 4.650 4.527 0.027 0.000 0.299 179 F C 2.566 178.164 175.800 -0.336 0.000 1.097 179 F CA 1.947 59.656 58.000 -0.485 0.000 1.264 179 F CB -0.791 38.165 39.000 -0.074 0.000 1.001 179 F HN 0.794 nan 8.300 nan 0.000 0.479 180 A N 0.011 122.741 122.820 -0.150 0.000 1.883 180 A HA -0.286 4.049 4.320 0.025 0.000 0.217 180 A C 2.278 179.683 177.584 -0.298 0.000 1.186 180 A CA 1.989 53.925 52.037 -0.168 0.000 0.624 180 A CB -1.129 17.840 19.000 -0.050 0.000 0.822 180 A HN 0.584 nan 8.150 nan 0.000 0.444 181 E N -0.211 119.797 120.200 -0.320 0.000 2.077 181 E HA -0.151 4.214 4.350 0.025 0.000 0.193 181 E C 2.211 178.569 176.600 -0.403 0.000 0.989 181 E CA 1.056 57.270 56.400 -0.310 0.000 0.800 181 E CB -0.270 29.269 29.700 -0.268 0.000 0.746 181 E HN 0.534 nan 8.360 nan 0.000 0.452 182 A N 1.180 123.652 122.820 -0.579 0.000 1.883 182 A HA -0.206 4.129 4.320 0.025 0.000 0.217 182 A C 2.144 179.429 177.584 -0.498 0.000 1.186 182 A CA 1.504 53.215 52.037 -0.543 0.000 0.624 182 A CB -0.702 17.917 19.000 -0.636 0.000 0.822 182 A HN 0.379 nan 8.150 nan 0.000 0.444 183 L N -0.260 120.577 121.223 -0.643 0.000 2.056 183 L HA -0.065 4.290 4.340 0.025 0.000 0.207 183 L C 2.445 179.145 176.870 -0.283 0.000 1.078 183 L CA 2.289 56.835 54.840 -0.489 0.000 0.749 183 L CB -0.678 41.048 42.059 -0.555 0.000 0.901 183 L HN 0.508 nan 8.230 nan 0.000 0.433 184 R N 0.327 120.677 120.500 -0.250 0.000 2.082 184 R HA -0.192 4.163 4.340 0.025 0.000 0.234 184 R C 2.416 178.630 176.300 -0.143 0.000 1.136 184 R CA 2.522 58.533 56.100 -0.148 0.000 0.935 184 R CB -0.655 29.573 30.300 -0.120 0.000 0.842 184 R HN 0.624 nan 8.270 nan 0.000 0.430 185 I N -1.781 118.639 120.570 -0.252 0.000 2.394 185 I HA 0.014 4.199 4.170 0.025 0.000 0.251 185 I C 2.141 178.123 176.117 -0.225 0.000 1.136 185 I CA 1.747 62.820 61.300 -0.378 0.000 1.425 185 I CB -0.930 36.555 38.000 -0.860 0.000 1.079 185 I HN 0.230 nan 8.210 nan 0.000 0.425 186 G N 1.733 110.407 108.800 -0.211 0.000 2.446 186 G HA2 -0.328 3.648 3.960 0.025 0.000 0.217 186 G HA3 -0.328 3.648 3.960 0.025 0.000 0.217 186 G C 1.826 176.679 174.900 -0.079 0.000 1.168 186 G CA 1.415 46.431 45.100 -0.140 0.000 0.771 186 G HN 0.604 nan 8.290 nan 0.000 0.551 187 S N 0.646 116.286 115.700 -0.100 0.000 2.382 187 S HA -0.109 4.376 4.470 0.025 0.000 0.228 187 S C 2.016 176.608 174.600 -0.013 0.000 1.027 187 S CA 1.809 59.949 58.200 -0.100 0.000 0.991 187 S CB -0.389 62.778 63.200 -0.055 0.000 0.823 187 S HN 0.574 nan 8.310 nan 0.000 0.469 188 E N 0.717 120.975 120.200 0.096 0.000 2.077 188 E HA -0.060 4.305 4.350 0.025 0.000 0.193 188 E C 2.177 178.874 176.600 0.160 0.000 0.989 188 E CA 1.278 57.795 56.400 0.194 0.000 0.800 188 E CB -0.344 29.498 29.700 0.236 0.000 0.746 188 E HN 0.428 nan 8.360 nan 0.000 0.452 189 V N 0.727 120.723 119.914 0.137 0.000 2.343 189 V HA -0.281 3.854 4.120 0.025 0.000 0.247 189 V C 2.035 178.173 176.094 0.073 0.000 1.051 189 V CA 1.903 64.269 62.300 0.110 0.000 1.036 189 V CB -0.587 31.293 31.823 0.095 0.000 0.654 189 V HN 0.325 nan 8.190 nan 0.000 0.451 190 Y N 1.059 121.308 120.300 -0.085 0.000 2.128 190 Y HA -0.312 4.254 4.550 0.026 0.000 0.284 190 Y C 2.568 178.404 175.900 -0.107 0.000 1.154 190 Y CA 2.275 60.293 58.100 -0.137 0.000 1.149 190 Y CB -0.531 37.779 38.460 -0.249 0.000 0.976 190 Y HN 0.424 nan 8.280 nan 0.000 0.505 191 H N -0.786 118.318 119.070 0.058 0.000 2.387 191 H HA -0.148 4.423 4.556 0.025 0.000 0.299 191 H C 2.096 177.374 175.328 -0.084 0.000 1.090 191 H CA 1.310 57.336 56.048 -0.037 0.000 1.332 191 H CB -0.108 29.687 29.762 0.055 0.000 1.386 191 H HN 0.382 nan 8.280 nan 0.000 0.516 192 N N 0.559 119.300 118.700 0.067 0.000 2.188 192 N HA -0.130 4.625 4.740 0.025 0.000 0.184 192 N C 1.958 177.445 175.510 -0.037 0.000 1.018 192 N CA 0.730 53.789 53.050 0.015 0.000 0.858 192 N CB -0.139 38.361 38.487 0.023 0.000 0.989 192 N HN 0.214 nan 8.380 nan 0.000 0.426 193 L N 2.151 123.327 121.223 -0.079 0.000 2.046 193 L HA -0.145 4.210 4.340 0.025 0.000 0.208 193 L C 2.316 179.093 176.870 -0.155 0.000 1.077 193 L CA 1.791 56.563 54.840 -0.114 0.000 0.747 193 L CB -0.527 41.453 42.059 -0.132 0.000 0.896 193 L HN -0.013 nan 8.230 nan 0.000 0.432 194 K N -1.100 119.144 120.400 -0.260 0.000 2.026 194 K HA -0.147 4.188 4.320 0.025 0.000 0.208 194 K C 2.092 178.638 176.600 -0.090 0.000 1.048 194 K CA 1.735 57.892 56.287 -0.215 0.000 0.929 194 K CB -0.168 32.169 32.500 -0.272 0.000 0.713 194 K HN 0.376 nan 8.250 nan 0.000 0.439 195 S N 0.828 116.491 115.700 -0.061 0.000 2.368 195 S HA -0.130 4.355 4.470 0.025 0.000 0.225 195 S C 1.671 176.250 174.600 -0.034 0.000 1.030 195 S CA 1.132 59.312 58.200 -0.034 0.000 0.999 195 S CB -0.289 62.898 63.200 -0.022 0.000 0.844 195 S HN 0.269 nan 8.310 nan 0.000 0.459 196 L N 1.871 123.072 121.223 -0.037 0.000 2.056 196 L HA -0.049 4.306 4.340 0.025 0.000 0.207 196 L C 2.220 179.075 176.870 -0.025 0.000 1.078 196 L CA 1.851 56.669 54.840 -0.036 0.000 0.749 196 L CB -1.474 40.566 42.059 -0.031 0.000 0.901 196 L HN 0.205 nan 8.230 nan 0.000 0.433 197 T N -0.217 114.338 114.554 0.001 0.000 2.720 197 T HA -0.196 4.169 4.350 0.025 0.000 0.268 197 T C 1.872 176.616 174.700 0.074 0.000 1.037 197 T CA 1.648 63.795 62.100 0.079 0.000 1.144 197 T CB -0.167 68.729 68.868 0.046 0.000 0.864 197 T HN 0.353 nan 8.240 nan 0.000 0.444 198 K N 0.876 121.287 120.400 0.018 0.000 2.097 198 K HA -0.064 4.272 4.320 0.025 0.000 0.206 198 K C 2.397 178.990 176.600 -0.011 0.000 1.049 198 K CA 0.923 57.217 56.287 0.012 0.000 0.933 198 K CB -0.140 32.359 32.500 -0.002 0.000 0.717 198 K HN 0.289 nan 8.250 nan 0.000 0.442 199 K N 1.336 121.713 120.400 -0.037 0.000 2.057 199 K HA -0.150 4.185 4.320 0.025 0.000 0.206 199 K C 2.240 178.767 176.600 -0.121 0.000 1.050 199 K CA 1.167 57.414 56.287 -0.065 0.000 0.935 199 K CB 0.067 32.529 32.500 -0.064 0.000 0.715 199 K HN -0.047 nan 8.250 nan 0.000 0.439 200 R N -1.193 119.190 120.500 -0.195 0.000 2.127 200 R HA -0.055 4.301 4.340 0.025 0.000 0.217 200 R C 0.790 176.729 176.300 -0.600 0.000 1.074 200 R CA 1.191 57.018 56.100 -0.455 0.000 0.991 200 R CB 0.204 30.111 30.300 -0.655 0.000 0.895 200 R HN 0.222 nan 8.270 nan 0.000 0.450 201 Y N -1.118 119.162 120.300 -0.033 0.000 2.527 201 Y HA 0.407 4.973 4.550 0.025 0.000 0.247 201 Y C 0.350 176.235 175.900 -0.026 0.000 1.138 201 Y CA 0.207 58.288 58.100 -0.032 0.000 1.228 201 Y CB 1.589 40.025 38.460 -0.039 0.000 1.252 201 Y HN 0.249 nan 8.280 nan 0.000 0.531 202 G N 0.356 109.198 108.800 0.069 0.000 2.663 202 G HA2 0.076 4.052 3.960 0.025 0.000 0.686 202 G HA3 0.076 4.052 3.960 0.025 0.000 0.686 202 G C 0.764 175.688 174.900 0.040 0.000 1.246 202 G CA -0.411 44.714 45.100 0.042 0.000 0.795 202 G HN 0.437 nan 8.290 nan 0.000 0.627 203 A N 0.467 123.300 122.820 0.022 0.000 1.917 203 A HA 0.053 4.388 4.320 0.025 0.000 0.219 203 A C 2.857 180.454 177.584 0.021 0.000 1.182 203 A CA 3.425 55.472 52.037 0.017 0.000 0.633 203 A CB -0.917 18.089 19.000 0.010 0.000 0.819 203 A HN 2.420 nan 8.150 nan 0.000 0.448 204 S N -0.068 115.646 115.700 0.023 0.000 2.442 204 S HA 0.106 4.591 4.470 0.025 0.000 0.236 204 S C 1.885 176.497 174.600 0.020 0.000 1.007 204 S CA 1.119 59.331 58.200 0.020 0.000 0.965 204 S CB -0.545 62.664 63.200 0.016 0.000 0.773 204 S HN 0.926 nan 8.310 nan 0.000 0.504 205 A N 1.438 124.276 122.820 0.030 0.000 2.121 205 A HA 0.336 4.671 4.320 0.025 0.000 0.218 205 A C 2.176 179.769 177.584 0.015 0.000 1.154 205 A CA 1.031 53.082 52.037 0.023 0.000 0.679 205 A CB -1.244 17.799 19.000 0.072 0.000 0.795 205 A HN 0.635 nan 8.150 nan 0.000 0.458 206 G N -0.231 108.579 108.800 0.017 0.000 2.650 206 G HA2 -0.032 3.943 3.960 0.025 0.000 0.214 206 G HA3 -0.032 3.943 3.960 0.025 0.000 0.214 206 G C 0.521 175.430 174.900 0.016 0.000 1.136 206 G CA -0.271 44.831 45.100 0.002 0.000 0.789 206 G HN 0.465 nan 8.290 nan 0.000 0.536 207 N N 0.353 119.068 118.700 0.025 0.000 2.415 207 N HA 0.258 5.014 4.740 0.025 0.000 0.248 207 N C 0.282 175.823 175.510 0.051 0.000 1.271 207 N CA 0.026 53.099 53.050 0.039 0.000 0.913 207 N CB 1.735 40.241 38.487 0.032 0.000 1.129 207 N HN 0.128 nan 8.380 nan 0.000 0.444 208 V N -2.340 117.616 119.914 0.070 0.000 2.732 208 V HA 0.867 5.003 4.120 0.025 0.000 0.310 208 V C 0.833 176.975 176.094 0.080 0.000 1.053 208 V CA -0.823 61.533 62.300 0.092 0.000 0.957 208 V CB 1.141 33.042 31.823 0.131 0.000 1.018 208 V HN 0.612 nan 8.190 nan 0.000 0.452 209 G N 1.143 109.999 108.800 0.094 0.000 2.535 209 G HA2 0.303 4.278 3.960 0.025 0.000 0.282 209 G HA3 0.303 4.278 3.960 0.025 0.000 0.282 209 G C 0.191 175.137 174.900 0.076 0.000 1.350 209 G CA 0.032 45.187 45.100 0.092 0.000 1.039 209 G HN 0.777 nan 8.290 nan 0.000 0.509 210 D N -0.353 120.082 120.400 0.057 0.000 2.182 210 D HA -0.074 4.581 4.640 0.025 0.000 0.201 210 D C 1.861 178.150 176.300 -0.019 0.000 0.986 210 D CA 1.146 55.140 54.000 -0.010 0.000 0.847 210 D CB 0.215 40.957 40.800 -0.096 0.000 0.942 210 D HN 0.614 nan 8.370 nan 0.000 0.467 211 E N -1.034 119.178 120.200 0.020 0.000 2.465 211 E HA 0.306 4.671 4.350 0.025 0.000 0.195 211 E C 0.998 177.654 176.600 0.094 0.000 1.028 211 E CA 0.203 56.648 56.400 0.075 0.000 0.899 211 E CB 0.914 30.702 29.700 0.147 0.000 1.032 211 E HN 0.232 nan 8.360 nan 0.000 0.468 212 G N 1.266 110.119 108.800 0.088 0.000 2.175 212 G HA2 -0.237 3.738 3.960 0.025 0.000 0.244 212 G HA3 -0.237 3.738 3.960 0.025 0.000 0.244 212 G C 0.535 175.539 174.900 0.173 0.000 0.982 212 G CA -0.258 44.893 45.100 0.086 0.000 0.641 212 G HN 0.456 nan 8.290 nan 0.000 0.527 213 G N -0.275 108.641 108.800 0.193 0.000 2.507 213 G HA2 0.677 4.652 3.960 0.025 0.000 0.271 213 G HA3 0.677 4.652 3.960 0.025 0.000 0.271 213 G C 0.712 175.731 174.900 0.199 0.000 1.189 213 G CA 0.284 45.542 45.100 0.263 0.000 0.859 213 G HN 1.578 nan 8.290 nan 0.000 0.542 214 V N -0.997 119.006 119.914 0.148 0.000 2.999 214 V HA 0.537 4.672 4.120 0.025 0.000 0.307 214 V C 0.703 176.818 176.094 0.034 0.000 1.084 214 V CA -0.070 62.260 62.300 0.050 0.000 1.155 214 V CB 1.057 32.863 31.823 -0.029 0.000 0.975 214 V HN 1.280 nan 8.190 nan 0.000 0.490 215 A N 4.949 127.775 122.820 0.010 0.000 3.105 215 A HA 0.666 5.001 4.320 0.025 0.000 0.336 215 A C -2.071 175.473 177.584 -0.065 0.000 1.042 215 A CA -1.408 50.622 52.037 -0.011 0.000 0.851 215 A CB -0.064 18.948 19.000 0.020 0.000 1.068 215 A HN 0.832 nan 8.150 nan 0.000 0.477 216 P HA 0.073 nan 4.420 nan 0.000 0.275 216 P C -0.358 176.780 177.300 -0.270 0.000 1.228 216 P CA -0.256 62.699 63.100 -0.241 0.000 0.786 216 P CB 0.731 32.160 31.700 -0.452 0.000 0.927 217 N N 2.542 121.098 118.700 -0.241 0.000 3.178 217 N HA 0.113 4.869 4.740 0.025 0.000 0.300 217 N C -0.090 175.275 175.510 -0.242 0.000 1.242 217 N CA -0.266 52.675 53.050 -0.181 0.000 1.192 217 N CB -1.206 37.224 38.487 -0.096 0.000 1.463 217 N HN 0.361 nan 8.380 nan 0.000 0.539 218 I N -3.185 117.203 120.570 -0.302 0.000 2.863 218 I HA 0.598 4.783 4.170 0.025 0.000 0.311 218 I C 0.776 176.793 176.117 -0.167 0.000 1.026 218 I CA -0.902 60.224 61.300 -0.289 0.000 1.077 218 I CB 1.625 39.355 38.000 -0.451 0.000 1.262 218 I HN 0.017 nan 8.210 nan 0.000 0.461 219 Q N 2.114 121.845 119.800 -0.115 0.000 2.378 219 Q HA 0.242 4.597 4.340 0.025 0.000 0.229 219 Q C 0.856 176.821 176.000 -0.058 0.000 0.882 219 Q CA 0.855 56.613 55.803 -0.075 0.000 0.936 219 Q CB 0.173 28.883 28.738 -0.047 0.000 1.092 219 Q HN 0.871 nan 8.270 nan 0.000 0.535 220 T N -4.923 109.596 114.554 -0.059 0.000 2.893 220 T HA 0.736 5.101 4.350 0.025 0.000 0.291 220 T C 1.155 175.833 174.700 -0.037 0.000 1.028 220 T CA -0.082 62.001 62.100 -0.029 0.000 0.995 220 T CB 1.637 70.501 68.868 -0.006 0.000 1.051 220 T HN 0.368 nan 8.240 nan 0.000 0.470 221 A N 1.288 124.131 122.820 0.038 0.000 1.933 221 A HA 0.000 4.335 4.320 0.025 0.000 0.218 221 A C 2.029 179.591 177.584 -0.038 0.000 1.175 221 A CA 1.629 53.733 52.037 0.111 0.000 0.628 221 A CB -1.002 18.145 19.000 0.246 0.000 0.814 221 A HN 0.931 nan 8.150 nan 0.000 0.444 222 E N 0.314 120.519 120.200 0.008 0.000 2.070 222 E HA -0.235 4.130 4.350 0.025 0.000 0.197 222 E C 2.035 178.624 176.600 -0.018 0.000 1.004 222 E CA 1.771 58.194 56.400 0.039 0.000 0.805 222 E CB -0.250 29.528 29.700 0.130 0.000 0.744 222 E HN 0.928 nan 8.360 nan 0.000 0.451 223 E N 0.235 120.416 120.200 -0.032 0.000 2.216 223 E HA -0.035 4.330 4.350 0.025 0.000 0.192 223 E C 2.036 178.565 176.600 -0.118 0.000 0.988 223 E CA 0.846 57.236 56.400 -0.017 0.000 0.834 223 E CB -0.106 29.626 29.700 0.053 0.000 0.772 223 E HN 0.204 nan 8.360 nan 0.000 0.479 224 A N 1.959 124.599 122.820 -0.300 0.000 1.902 224 A HA -0.074 4.261 4.320 0.025 0.000 0.217 224 A C 2.279 179.579 177.584 -0.474 0.000 1.181 224 A CA 1.072 52.783 52.037 -0.544 0.000 0.623 224 A CB -0.650 17.649 19.000 -1.167 0.000 0.818 224 A HN 0.258 nan 8.150 nan 0.000 0.443 225 L N -0.626 120.322 121.223 -0.459 0.000 2.156 225 L HA -0.143 4.212 4.340 0.025 0.000 0.208 225 L C 1.949 178.641 176.870 -0.298 0.000 1.095 225 L CA 1.080 55.612 54.840 -0.513 0.000 0.770 225 L CB -0.500 40.872 42.059 -1.144 0.000 0.914 225 L HN 0.269 nan 8.230 nan 0.000 0.439 226 D N 0.122 120.452 120.400 -0.117 0.000 2.117 226 D HA -0.167 4.488 4.640 0.025 0.000 0.197 226 D C 2.368 178.686 176.300 0.030 0.000 0.987 226 D CA 1.059 55.107 54.000 0.079 0.000 0.829 226 D CB -0.105 40.759 40.800 0.106 0.000 0.961 226 D HN 0.211 nan 8.370 nan 0.000 0.460 227 L N 0.336 121.550 121.223 -0.015 0.000 2.012 227 L HA -0.179 4.176 4.340 0.025 0.000 0.210 227 L C 2.414 179.274 176.870 -0.015 0.000 1.073 227 L CA 0.902 55.739 54.840 -0.004 0.000 0.748 227 L CB -0.233 41.823 42.059 -0.006 0.000 0.891 227 L HN 0.058 nan 8.230 nan 0.000 0.431 228 I N -1.328 119.216 120.570 -0.042 0.000 2.179 228 I HA -0.277 3.908 4.170 0.025 0.000 0.242 228 I C 2.429 178.564 176.117 0.031 0.000 1.088 228 I CA 1.016 62.312 61.300 -0.008 0.000 1.357 228 I CB -0.299 37.697 38.000 -0.008 0.000 1.051 228 I HN -0.003 nan 8.210 nan 0.000 0.409 229 V N 0.914 120.863 119.914 0.059 0.000 2.332 229 V HA -0.317 3.818 4.120 0.025 0.000 0.248 229 V C 2.048 178.179 176.094 0.062 0.000 1.055 229 V CA 2.064 64.422 62.300 0.097 0.000 1.038 229 V CB -0.711 31.222 31.823 0.184 0.000 0.651 229 V HN 0.421 nan 8.190 nan 0.000 0.450 230 D N 0.269 120.697 120.400 0.046 0.000 2.144 230 D HA -0.115 4.540 4.640 0.025 0.000 0.199 230 D C 2.187 178.495 176.300 0.013 0.000 0.984 230 D CA 1.604 55.619 54.000 0.024 0.000 0.834 230 D CB -0.267 40.541 40.800 0.013 0.000 0.955 230 D HN 0.475 nan 8.370 nan 0.000 0.465 231 A N 0.578 123.407 122.820 0.014 0.000 1.897 231 A HA -0.075 4.261 4.320 0.025 0.000 0.215 231 A C 2.355 179.954 177.584 0.026 0.000 1.181 231 A CA 0.637 52.680 52.037 0.011 0.000 0.620 231 A CB -0.622 18.381 19.000 0.005 0.000 0.821 231 A HN 0.161 nan 8.150 nan 0.000 0.443 232 I N -0.135 120.460 120.570 0.040 0.000 2.208 232 I HA -0.302 3.883 4.170 0.025 0.000 0.245 232 I C 2.519 178.652 176.117 0.027 0.000 1.097 232 I CA 1.973 63.308 61.300 0.058 0.000 1.363 232 I CB -0.237 37.803 38.000 0.066 0.000 1.051 232 I HN 0.425 nan 8.210 nan 0.000 0.413 233 K N 1.577 121.986 120.400 0.016 0.000 2.009 233 K HA -0.217 4.118 4.320 0.025 0.000 0.210 233 K C 2.238 178.819 176.600 -0.033 0.000 1.049 233 K CA 1.751 58.035 56.287 -0.005 0.000 0.929 233 K CB -0.235 32.268 32.500 0.005 0.000 0.714 233 K HN 0.261 nan 8.250 nan 0.000 0.440 234 A N 0.905 123.711 122.820 -0.025 0.000 1.940 234 A HA -0.113 4.222 4.320 0.025 0.000 0.219 234 A C 2.302 179.848 177.584 -0.063 0.000 1.176 234 A CA 1.993 54.009 52.037 -0.035 0.000 0.631 234 A CB -0.833 18.155 19.000 -0.020 0.000 0.814 234 A HN 0.545 nan 8.150 nan 0.000 0.446 235 A N -1.910 120.868 122.820 -0.071 0.000 2.119 235 A HA 0.383 4.718 4.320 0.025 0.000 0.216 235 A C 1.850 179.175 177.584 -0.431 0.000 1.152 235 A CA 1.325 53.273 52.037 -0.149 0.000 0.708 235 A CB -0.917 18.089 19.000 0.011 0.000 0.805 235 A HN 1.993 nan 8.150 nan 0.000 0.460 236 G N -1.275 107.340 108.800 -0.308 0.000 2.182 236 G HA2 -0.214 3.761 3.960 0.025 0.000 0.248 236 G HA3 -0.214 3.761 3.960 0.025 0.000 0.248 236 G C 0.153 174.840 174.900 -0.357 0.000 1.042 236 G CA 0.392 45.309 45.100 -0.306 0.000 0.775 236 G HN 0.659 nan 8.290 nan 0.000 0.501 237 H N 0.224 119.293 119.070 -0.001 0.000 2.512 237 H HA 0.204 4.775 4.556 0.026 0.000 0.276 237 H C 0.354 175.682 175.328 -0.000 0.000 1.126 237 H CA -0.184 55.861 56.048 -0.005 0.000 1.060 237 H CB 0.197 29.951 29.762 -0.013 0.000 1.646 237 H HN 0.543 nan 8.280 nan 0.000 0.571 238 D N 0.148 120.594 120.400 0.076 0.000 2.525 238 D HA 0.248 4.903 4.640 0.025 0.000 0.235 238 D C 1.547 177.881 176.300 0.057 0.000 1.137 238 D CA 1.667 55.701 54.000 0.057 0.000 0.868 238 D CB 0.663 41.482 40.800 0.033 0.000 1.180 238 D HN 0.441 nan 8.370 nan 0.000 0.465 239 G N 1.782 110.613 108.800 0.051 0.000 2.268 239 G HA2 -0.383 3.592 3.960 0.025 0.000 0.240 239 G HA3 -0.383 3.592 3.960 0.025 0.000 0.240 239 G C 1.098 176.024 174.900 0.044 0.000 1.010 239 G CA 0.225 45.352 45.100 0.045 0.000 0.618 239 G HN 0.514 nan 8.290 nan 0.000 0.516 240 K N -0.226 120.203 120.400 0.049 0.000 2.352 240 K HA 0.349 4.684 4.320 0.025 0.000 0.194 240 K C 0.421 177.017 176.600 -0.006 0.000 1.038 240 K CA 0.296 56.599 56.287 0.027 0.000 1.023 240 K CB 0.564 33.076 32.500 0.020 0.000 0.840 240 K HN 0.342 nan 8.250 nan 0.000 0.519 241 I N 2.320 122.892 120.570 0.003 0.000 2.362 241 I HA 0.252 4.437 4.170 0.025 0.000 0.289 241 I C -0.011 176.090 176.117 -0.027 0.000 0.994 241 I CA -0.693 60.587 61.300 -0.033 0.000 1.158 241 I CB 1.299 39.296 38.000 -0.005 0.000 1.315 241 I HN -0.143 nan 8.210 nan 0.000 0.451 242 K N 5.985 126.335 120.400 -0.084 0.000 2.288 242 K HA 0.718 5.053 4.320 0.025 0.000 0.234 242 K C -0.487 176.071 176.600 -0.070 0.000 1.037 242 K CA -0.861 55.391 56.287 -0.058 0.000 0.914 242 K CB 2.230 34.687 32.500 -0.071 0.000 1.197 242 K HN 0.433 nan 8.250 nan 0.000 0.471 243 I N 0.011 120.583 120.570 0.003 0.000 2.545 243 I HA 0.398 4.583 4.170 0.025 0.000 0.292 243 I C 0.124 176.304 176.117 0.105 0.000 1.040 243 I CA -0.817 60.511 61.300 0.047 0.000 1.068 243 I CB 2.336 40.388 38.000 0.086 0.000 1.251 243 I HN 0.575 nan 8.210 nan 0.000 0.424 244 G N 5.900 114.794 108.800 0.157 0.000 2.482 244 G HA2 0.792 4.767 3.960 0.025 0.000 0.317 244 G HA3 0.792 4.767 3.960 0.025 0.000 0.317 244 G C -1.204 173.704 174.900 0.013 0.000 1.241 244 G CA -0.549 44.656 45.100 0.175 0.000 0.967 244 G HN 0.396 nan 8.290 nan 0.000 0.482 245 L N 0.918 122.075 121.223 -0.110 0.000 2.346 245 L HA 0.478 4.833 4.340 0.025 0.000 0.274 245 L C -1.125 175.592 176.870 -0.255 0.000 1.007 245 L CA -0.998 53.676 54.840 -0.277 0.000 0.818 245 L CB 2.445 44.285 42.059 -0.365 0.000 1.284 245 L HN 0.414 nan 8.230 nan 0.000 0.424 246 D N 0.698 120.935 120.400 -0.272 0.000 2.453 246 D HA 0.256 4.911 4.640 0.025 0.000 0.238 246 D C 0.370 176.521 176.300 -0.249 0.000 1.088 246 D CA -0.477 53.392 54.000 -0.217 0.000 0.854 246 D CB 1.562 42.294 40.800 -0.114 0.000 1.076 246 D HN 0.491 nan 8.370 nan 0.000 0.533 247 C N 3.083 122.222 119.300 -0.267 0.000 2.450 247 C HA 0.296 4.771 4.460 0.025 0.000 0.279 247 C C 1.651 176.580 174.990 -0.100 0.000 1.335 247 C CA 0.449 59.364 59.018 -0.171 0.000 1.749 247 C CB -1.303 26.292 27.740 -0.241 0.000 1.963 247 C HN 0.898 nan 8.230 nan 0.000 0.501 248 A N 1.420 124.127 122.820 -0.188 0.000 2.596 248 A HA -0.225 4.110 4.320 0.025 0.000 0.300 248 A C 1.615 178.961 177.584 -0.396 0.000 1.495 248 A CA 0.941 52.854 52.037 -0.207 0.000 0.769 248 A CB -1.790 17.120 19.000 -0.151 0.000 1.047 248 A HN 1.052 nan 8.150 nan 0.000 0.436 249 S N -0.854 114.516 115.700 -0.551 0.000 2.447 249 S HA -0.093 4.393 4.470 0.025 0.000 0.233 249 S C 1.704 175.779 174.600 -0.876 0.000 1.006 249 S CA 1.405 58.927 58.200 -1.129 0.000 0.957 249 S CB -0.411 62.347 63.200 -0.737 0.000 0.773 249 S HN 1.065 nan 8.310 nan 0.000 0.507 250 S N 1.938 117.369 115.700 -0.450 0.000 2.442 250 S HA -0.048 4.437 4.470 0.025 0.000 0.236 250 S C 1.718 176.123 174.600 -0.324 0.000 1.007 250 S CA 1.041 59.069 58.200 -0.286 0.000 0.965 250 S CB -0.326 62.770 63.200 -0.174 0.000 0.773 250 S HN 0.559 nan 8.310 nan 0.000 0.504 251 E N 1.003 120.929 120.200 -0.455 0.000 2.268 251 E HA -0.060 4.305 4.350 0.025 0.000 0.195 251 E C 0.926 177.113 176.600 -0.689 0.000 0.995 251 E CA 0.710 56.840 56.400 -0.450 0.000 0.836 251 E CB -0.148 29.329 29.700 -0.373 0.000 0.763 251 E HN 0.858 nan 8.360 nan 0.000 0.491 252 F N -2.186 117.375 119.950 -0.649 0.000 2.791 252 F HA 0.366 4.909 4.527 0.025 0.000 0.316 252 F C -0.115 175.471 175.800 -0.357 0.000 1.134 252 F CA -1.366 56.233 58.000 -0.667 0.000 1.222 252 F CB -0.402 38.116 39.000 -0.804 0.000 1.034 252 F HN -0.275 nan 8.300 nan 0.000 0.516 253 F N 5.053 124.700 119.950 -0.506 0.000 2.411 253 F HA 0.601 5.143 4.527 0.025 0.000 0.355 253 F C -0.318 175.228 175.800 -0.423 0.000 1.117 253 F CA -0.941 56.698 58.000 -0.602 0.000 1.139 253 F CB 0.611 39.245 39.000 -0.611 0.000 1.120 253 F HN 0.188 nan 8.300 nan 0.000 0.493 254 K N 2.630 122.429 120.400 -1.003 0.000 2.543 254 K HA 0.526 4.861 4.320 0.025 0.000 0.255 254 K C -0.440 175.782 176.600 -0.629 0.000 0.934 254 K CA -0.268 55.583 56.287 -0.728 0.000 0.810 254 K CB 1.070 33.329 32.500 -0.401 0.000 1.315 254 K HN 0.647 nan 8.250 nan 0.000 0.433 255 D N 0.734 120.856 120.400 -0.463 0.000 2.772 255 D HA -0.101 4.554 4.640 0.025 0.000 0.233 255 D C 0.976 177.112 176.300 -0.272 0.000 1.143 255 D CA 1.769 55.631 54.000 -0.229 0.000 0.700 255 D CB -2.008 38.794 40.800 0.004 0.000 1.076 255 D HN 1.782 nan 8.370 nan 0.000 0.430 256 G N -3.558 104.886 108.800 -0.592 0.000 2.155 256 G HA2 0.359 4.334 3.960 0.025 0.000 0.257 256 G HA3 0.359 4.334 3.960 0.025 0.000 0.257 256 G C 0.549 175.366 174.900 -0.138 0.000 0.983 256 G CA 2.025 46.985 45.100 -0.234 0.000 0.676 256 G HN 2.232 nan 8.290 nan 0.000 0.528 257 K N -1.051 119.092 120.400 -0.428 0.000 2.444 257 K HA 0.862 5.197 4.320 0.025 0.000 0.252 257 K C -0.915 175.455 176.600 -0.384 0.000 0.993 257 K CA -0.784 55.425 56.287 -0.131 0.000 0.847 257 K CB 1.258 33.849 32.500 0.151 0.000 1.340 257 K HN 0.608 nan 8.250 nan 0.000 0.446 258 Y N 0.873 121.214 120.300 0.069 0.000 2.328 258 Y HA 0.347 4.912 4.550 0.025 0.000 0.336 258 Y C -0.199 175.644 175.900 -0.095 0.000 0.960 258 Y CA -0.911 57.263 58.100 0.125 0.000 1.134 258 Y CB 2.173 40.827 38.460 0.325 0.000 1.166 258 Y HN 0.766 nan 8.280 nan 0.000 0.464 259 D N 4.164 124.453 120.400 -0.185 0.000 2.443 259 D HA 0.208 4.864 4.640 0.025 0.000 0.221 259 D C 0.125 176.279 176.300 -0.244 0.000 1.097 259 D CA -0.121 53.608 54.000 -0.451 0.000 0.865 259 D CB 0.828 41.067 40.800 -0.934 0.000 1.034 259 D HN 0.640 nan 8.370 nan 0.000 0.511 260 L N 2.300 123.372 121.223 -0.251 0.000 2.675 260 L HA 0.156 4.511 4.340 0.025 0.000 0.239 260 L C 1.216 178.017 176.870 -0.115 0.000 1.151 260 L CA 0.805 55.438 54.840 -0.344 0.000 0.905 260 L CB -0.326 41.568 42.059 -0.274 0.000 1.057 260 L HN 0.507 nan 8.230 nan 0.000 0.435 261 D N -0.776 119.624 120.400 0.000 0.000 2.908 261 D HA 0.175 4.830 4.640 0.025 0.000 0.361 261 D C 1.041 177.366 176.300 0.042 0.000 1.416 261 D CA -0.441 53.565 54.000 0.011 0.000 0.796 261 D CB -0.498 40.329 40.800 0.044 0.000 1.185 261 D HN 0.331 nan 8.370 nan 0.000 0.451 262 F N -0.493 119.419 119.950 -0.063 0.000 2.293 262 F HA 0.143 4.685 4.527 0.025 0.000 0.300 262 F C 1.924 177.736 175.800 0.020 0.000 1.086 262 F CA 0.753 58.744 58.000 -0.015 0.000 1.375 262 F CB 0.173 39.172 39.000 -0.003 0.000 1.045 262 F HN 0.034 nan 8.300 nan 0.000 0.516 263 K N 0.400 120.359 120.400 -0.736 0.000 2.366 263 K HA -0.088 4.248 4.320 0.025 0.000 0.198 263 K C 0.274 176.752 176.600 -0.203 0.000 1.044 263 K CA 0.376 56.353 56.287 -0.516 0.000 0.973 263 K CB -0.375 31.760 32.500 -0.608 0.000 0.767 263 K HN 0.151 nan 8.250 nan 0.000 0.475 264 N N 1.598 120.218 118.700 -0.133 0.000 2.401 264 N HA 0.037 4.792 4.740 0.025 0.000 0.255 264 N C -2.208 173.313 175.510 0.020 0.000 1.110 264 N CA -1.980 51.045 53.050 -0.041 0.000 0.949 264 N CB 1.283 39.758 38.487 -0.019 0.000 1.110 264 N HN -0.168 nan 8.380 nan 0.000 0.490 265 P HA 0.037 nan 4.420 nan 0.000 0.230 265 P C 0.341 177.679 177.300 0.064 0.000 1.158 265 P CA 0.976 64.108 63.100 0.053 0.000 0.769 265 P CB -0.091 31.629 31.700 0.034 0.000 0.807 266 N N -0.827 117.902 118.700 0.048 0.000 2.276 266 N HA 0.092 4.847 4.740 0.025 0.000 0.212 266 N C 0.582 176.129 175.510 0.060 0.000 1.127 266 N CA -0.184 52.891 53.050 0.042 0.000 0.834 266 N CB -0.541 37.959 38.487 0.021 0.000 1.014 266 N HN 0.017 nan 8.380 nan 0.000 0.491 267 S N 0.617 116.383 115.700 0.110 0.000 2.563 267 S HA 0.345 4.830 4.470 0.025 0.000 0.294 267 S C 0.318 175.006 174.600 0.147 0.000 1.279 267 S CA 0.355 58.659 58.200 0.173 0.000 1.069 267 S CB -0.709 62.672 63.200 0.301 0.000 0.828 267 S HN 0.736 nan 8.310 nan 0.000 0.497 268 D N 3.300 123.754 120.400 0.091 0.000 2.371 268 D HA 0.461 5.117 4.640 0.025 0.000 0.256 268 D C 1.142 177.331 176.300 -0.185 0.000 1.193 268 D CA 0.030 54.011 54.000 -0.031 0.000 0.881 268 D CB 0.146 40.938 40.800 -0.014 0.000 1.143 268 D HN 0.792 nan 8.370 nan 0.000 0.473 269 K N 0.143 120.231 120.400 -0.520 0.000 2.362 269 K HA 0.007 4.342 4.320 0.025 0.000 0.200 269 K C 2.318 178.497 176.600 -0.701 0.000 1.046 269 K CA 1.620 57.147 56.287 -1.268 0.000 0.952 269 K CB -0.658 31.146 32.500 -1.160 0.000 0.753 269 K HN 0.805 nan 8.250 nan 0.000 0.466 270 S N -0.521 114.995 115.700 -0.306 0.000 2.461 270 S HA 0.040 4.525 4.470 0.025 0.000 0.228 270 S C 2.244 176.840 174.600 -0.007 0.000 1.005 270 S CA 1.141 59.266 58.200 -0.126 0.000 0.942 270 S CB -0.038 63.113 63.200 -0.083 0.000 0.776 270 S HN 0.676 nan 8.310 nan 0.000 0.514 271 K N 0.148 120.577 120.400 0.048 0.000 2.444 271 K HA 0.215 4.550 4.320 0.025 0.000 0.193 271 K C 0.147 176.929 176.600 0.303 0.000 1.024 271 K CA -0.080 56.298 56.287 0.152 0.000 1.077 271 K CB -0.813 31.771 32.500 0.140 0.000 0.833 271 K HN 0.567 nan 8.250 nan 0.000 0.517 272 W N 0.576 121.899 121.300 0.037 0.000 2.223 272 W HA 0.385 5.061 4.660 0.026 0.000 0.334 272 W C 0.368 176.936 176.519 0.082 0.000 1.334 272 W CA -1.049 56.332 57.345 0.061 0.000 1.246 272 W CB -0.211 29.276 29.460 0.044 0.000 1.184 272 W HN 0.097 nan 8.180 nan 0.000 0.563 273 L N 3.497 124.904 121.223 0.307 0.000 2.322 273 L HA 0.384 4.739 4.340 0.025 0.000 0.279 273 L C 1.070 178.134 176.870 0.324 0.000 1.036 273 L CA -0.820 54.168 54.840 0.246 0.000 0.807 273 L CB 1.247 43.402 42.059 0.161 0.000 1.226 273 L HN 0.431 nan 8.230 nan 0.000 0.433 274 T N -1.117 113.592 114.554 0.259 0.000 2.816 274 T HA 0.217 4.582 4.350 0.025 0.000 0.282 274 T C 1.342 176.239 174.700 0.329 0.000 0.993 274 T CA -0.094 62.178 62.100 0.287 0.000 0.994 274 T CB 1.494 70.474 68.868 0.185 0.000 1.025 274 T HN 0.698 nan 8.240 nan 0.000 0.529 275 G N 1.221 110.240 108.800 0.364 0.000 2.529 275 G HA2 -0.126 3.849 3.960 0.025 0.000 0.219 275 G HA3 -0.126 3.849 3.960 0.025 0.000 0.219 275 G C -0.880 174.129 174.900 0.181 0.000 1.177 275 G CA 0.851 46.123 45.100 0.287 0.000 0.773 275 G HN 0.663 nan 8.290 nan 0.000 0.573 276 P HA -0.055 nan 4.420 nan 0.000 0.217 276 P C 1.938 179.323 177.300 0.142 0.000 1.150 276 P CA 1.227 64.419 63.100 0.154 0.000 0.832 276 P CB -0.054 31.708 31.700 0.103 0.000 0.787 277 Q N -1.081 118.786 119.800 0.111 0.000 2.096 277 Q HA -0.175 4.180 4.340 0.025 0.000 0.204 277 Q C 2.058 178.050 176.000 -0.012 0.000 0.982 277 Q CA 1.104 56.948 55.803 0.068 0.000 0.850 277 Q CB -0.807 27.979 28.738 0.080 0.000 0.901 277 Q HN 0.152 nan 8.270 nan 0.000 0.422 278 L N 0.584 121.772 121.223 -0.057 0.000 2.046 278 L HA -0.118 4.237 4.340 0.025 0.000 0.208 278 L C 2.168 178.729 176.870 -0.515 0.000 1.077 278 L CA 2.050 56.668 54.840 -0.369 0.000 0.747 278 L CB -0.921 40.848 42.059 -0.483 0.000 0.896 278 L HN 0.130 nan 8.230 nan 0.000 0.432 279 A N -0.799 121.997 122.820 -0.039 0.000 1.908 279 A HA -0.259 4.077 4.320 0.025 0.000 0.218 279 A C 2.004 179.759 177.584 0.284 0.000 1.181 279 A CA 2.025 54.184 52.037 0.203 0.000 0.627 279 A CB -0.876 18.442 19.000 0.530 0.000 0.818 279 A HN 0.521 nan 8.150 nan 0.000 0.445 280 D N -0.399 120.110 120.400 0.182 0.000 2.104 280 D HA -0.147 4.508 4.640 0.025 0.000 0.194 280 D C 1.905 178.270 176.300 0.109 0.000 0.994 280 D CA 1.237 55.342 54.000 0.176 0.000 0.830 280 D CB -0.459 40.403 40.800 0.103 0.000 0.959 280 D HN 0.444 nan 8.370 nan 0.000 0.452 281 L N -0.148 121.042 121.223 -0.055 0.000 1.990 281 L HA -0.282 4.073 4.340 0.025 0.000 0.213 281 L C 2.296 179.161 176.870 -0.008 0.000 1.072 281 L CA 1.482 56.263 54.840 -0.097 0.000 0.755 281 L CB -0.317 41.582 42.059 -0.267 0.000 0.889 281 L HN 0.034 nan 8.230 nan 0.000 0.432 282 Y N -0.272 120.009 120.300 -0.031 0.000 2.128 282 Y HA -0.295 4.270 4.550 0.026 0.000 0.284 282 Y C 2.609 178.536 175.900 0.045 0.000 1.154 282 Y CA 1.823 59.885 58.100 -0.064 0.000 1.149 282 Y CB -1.264 37.041 38.460 -0.258 0.000 0.976 282 Y HN 0.373 nan 8.280 nan 0.000 0.505 283 H N -1.753 117.514 119.070 0.328 0.000 2.421 283 H HA -0.126 4.445 4.556 0.026 0.000 0.298 283 H C 2.542 177.960 175.328 0.150 0.000 1.087 283 H CA 1.514 57.698 56.048 0.228 0.000 1.330 283 H CB -0.064 29.812 29.762 0.191 0.000 1.388 283 H HN 0.182 nan 8.280 nan 0.000 0.526 284 S N -0.151 115.695 115.700 0.243 0.000 2.368 284 S HA -0.104 4.381 4.470 0.025 0.000 0.225 284 S C 2.000 176.706 174.600 0.177 0.000 1.030 284 S CA 0.920 59.219 58.200 0.166 0.000 0.999 284 S CB -0.196 63.081 63.200 0.128 0.000 0.844 284 S HN 0.317 nan 8.310 nan 0.000 0.459 285 L N 0.441 121.803 121.223 0.232 0.000 2.056 285 L HA -0.042 4.314 4.340 0.025 0.000 0.207 285 L C 2.612 179.670 176.870 0.313 0.000 1.078 285 L CA 1.184 56.230 54.840 0.344 0.000 0.749 285 L CB -0.514 41.730 42.059 0.309 0.000 0.901 285 L HN 0.360 nan 8.230 nan 0.000 0.433 286 M N -0.485 119.242 119.600 0.211 0.000 2.374 286 M HA -0.171 4.324 4.480 0.025 0.000 0.264 286 M C 2.007 178.376 176.300 0.114 0.000 1.067 286 M CA 1.605 56.997 55.300 0.153 0.000 1.103 286 M CB -0.176 32.488 32.600 0.107 0.000 1.402 286 M HN 0.111 nan 8.290 nan 0.000 0.444 287 K N -0.590 119.868 120.400 0.097 0.000 2.243 287 K HA 0.055 4.390 4.320 0.025 0.000 0.201 287 K C 1.917 178.488 176.600 -0.047 0.000 1.051 287 K CA 0.510 56.819 56.287 0.036 0.000 0.970 287 K CB 0.246 32.771 32.500 0.042 0.000 0.755 287 K HN 0.217 nan 8.250 nan 0.000 0.465 288 R N -0.314 120.107 120.500 -0.131 0.000 2.265 288 R HA 0.128 4.483 4.340 0.025 0.000 0.194 288 R C -0.106 175.787 176.300 -0.679 0.000 0.931 288 R CA 0.503 56.330 56.100 -0.456 0.000 1.032 288 R CB 0.524 30.424 30.300 -0.668 0.000 0.980 288 R HN 0.097 nan 8.270 nan 0.000 0.497 289 Y N 0.117 120.452 120.300 0.057 0.000 2.545 289 Y HA 0.327 4.892 4.550 0.025 0.000 0.348 289 Y C -1.972 173.960 175.900 0.053 0.000 1.002 289 Y CA -2.985 55.149 58.100 0.058 0.000 1.039 289 Y CB 1.378 39.883 38.460 0.074 0.000 1.271 289 Y HN -0.138 nan 8.280 nan 0.000 0.467 290 P HA 0.163 nan 4.420 nan 0.000 0.228 290 P C -0.459 176.913 177.300 0.121 0.000 1.748 290 P CA 0.469 63.644 63.100 0.126 0.000 0.909 290 P CB -0.547 31.212 31.700 0.098 0.000 1.882 291 I N 1.216 121.868 120.570 0.137 0.000 2.452 291 I HA -0.009 4.177 4.170 0.025 0.000 0.287 291 I C 1.736 177.912 176.117 0.099 0.000 1.079 291 I CA -0.164 61.203 61.300 0.111 0.000 1.387 291 I CB 1.453 39.516 38.000 0.106 0.000 1.404 291 I HN -0.030 nan 8.210 nan 0.000 0.522 292 V N 1.508 121.498 119.914 0.126 0.000 3.556 292 V HA 0.323 4.459 4.120 0.025 0.000 0.287 292 V C 0.412 176.634 176.094 0.214 0.000 1.422 292 V CA -0.001 62.410 62.300 0.186 0.000 1.038 292 V CB 0.438 32.429 31.823 0.280 0.000 0.850 292 V HN 0.649 nan 8.190 nan 0.000 0.437 293 S N -0.135 115.653 115.700 0.146 0.000 2.543 293 S HA 0.780 5.265 4.470 0.025 0.000 0.273 293 S C -1.400 173.180 174.600 -0.035 0.000 1.152 293 S CA -0.493 57.753 58.200 0.076 0.000 0.910 293 S CB 1.744 64.992 63.200 0.081 0.000 1.105 293 S HN 0.339 nan 8.310 nan 0.000 0.465 294 I N 3.171 123.681 120.570 -0.099 0.000 2.499 294 I HA 0.443 4.628 4.170 0.025 0.000 0.288 294 I C -0.377 175.605 176.117 -0.225 0.000 1.048 294 I CA -0.495 60.671 61.300 -0.223 0.000 1.062 294 I CB 2.053 39.847 38.000 -0.342 0.000 1.238 294 I HN 0.632 nan 8.210 nan 0.000 0.426 295 E N 5.501 125.553 120.200 -0.248 0.000 2.179 295 E HA 0.203 4.569 4.350 0.025 0.000 0.275 295 E C -0.896 175.557 176.600 -0.245 0.000 0.945 295 E CA -0.444 55.852 56.400 -0.173 0.000 0.792 295 E CB 1.054 30.678 29.700 -0.126 0.000 1.125 295 E HN 0.526 nan 8.360 nan 0.000 0.397 296 D N 3.967 124.293 120.400 -0.124 0.000 2.697 296 D HA -0.144 4.511 4.640 0.025 0.000 0.235 296 D C -1.825 174.119 176.300 -0.594 0.000 1.167 296 D CA 0.483 54.386 54.000 -0.161 0.000 0.656 296 D CB -0.469 40.296 40.800 -0.059 0.000 1.025 296 D HN 0.457 nan 8.370 nan 0.000 0.419 297 P HA -0.117 nan 4.420 nan 0.000 0.220 297 P C 0.384 176.729 177.300 -1.592 0.000 1.148 297 P CA 1.100 63.390 63.100 -1.350 0.000 0.803 297 P CB 0.235 30.982 31.700 -1.589 0.000 0.782 298 F N -0.813 118.531 119.950 -1.010 0.000 2.631 298 F HA 0.622 5.164 4.527 0.025 0.000 0.328 298 F C 0.744 176.428 175.800 -0.194 0.000 1.067 298 F CA -1.577 56.026 58.000 -0.662 0.000 0.969 298 F CB 0.399 38.951 39.000 -0.747 0.000 1.332 298 F HN -0.219 nan 8.300 nan 0.000 0.490 299 A N 0.355 123.204 122.820 0.049 0.000 2.386 299 A HA 0.204 4.539 4.320 0.025 0.000 0.246 299 A C 1.294 178.845 177.584 -0.056 0.000 1.089 299 A CA 0.020 51.932 52.037 -0.208 0.000 0.790 299 A CB -0.056 18.367 19.000 -0.962 0.000 1.042 299 A HN 0.939 nan 8.150 nan 0.000 0.497 300 E N -0.265 119.851 120.200 -0.140 0.000 2.333 300 E HA -0.156 4.209 4.350 0.025 0.000 0.198 300 E C -0.494 175.900 176.600 -0.343 0.000 1.007 300 E CA 1.462 57.753 56.400 -0.181 0.000 0.845 300 E CB -0.005 29.650 29.700 -0.075 0.000 0.766 300 E HN 0.630 nan 8.360 nan 0.000 0.507 301 D N 0.606 120.833 120.400 -0.289 0.000 2.556 301 D HA 0.022 4.677 4.640 0.025 0.000 0.237 301 D C -0.497 175.681 176.300 -0.202 0.000 1.296 301 D CA -0.091 53.743 54.000 -0.278 0.000 0.807 301 D CB 0.371 41.237 40.800 0.110 0.000 1.084 301 D HN 0.004 nan 8.370 nan 0.000 0.510 302 D N -0.037 120.218 120.400 -0.242 0.000 2.845 302 D HA 0.034 4.689 4.640 0.025 0.000 0.235 302 D C 0.997 177.386 176.300 0.148 0.000 1.158 302 D CA -0.330 53.643 54.000 -0.044 0.000 0.990 302 D CB -0.329 40.371 40.800 -0.166 0.000 1.094 302 D HN 0.125 nan 8.370 nan 0.000 0.486 303 W N 0.883 122.253 121.300 0.116 0.000 2.338 303 W HA -0.170 4.505 4.660 0.025 0.000 0.304 303 W C 2.595 179.212 176.519 0.162 0.000 1.212 303 W CA 1.626 59.028 57.345 0.093 0.000 1.264 303 W CB -0.463 28.998 29.460 0.001 0.000 1.142 303 W HN 0.347 nan 8.180 nan 0.000 0.512 304 E N 0.470 120.870 120.200 0.333 0.000 2.110 304 E HA -0.133 4.232 4.350 0.025 0.000 0.193 304 E C 1.941 178.634 176.600 0.154 0.000 0.988 304 E CA 1.956 58.486 56.400 0.217 0.000 0.804 304 E CB -1.167 28.619 29.700 0.142 0.000 0.745 304 E HN 0.325 nan 8.360 nan 0.000 0.458 305 A N -0.351 122.497 122.820 0.046 0.000 1.933 305 A HA -0.007 4.328 4.320 0.025 0.000 0.218 305 A C 2.183 179.533 177.584 -0.390 0.000 1.175 305 A CA 1.497 53.335 52.037 -0.331 0.000 0.628 305 A CB -0.752 17.890 19.000 -0.597 0.000 0.814 305 A HN 0.686 nan 8.150 nan 0.000 0.444 306 W N 0.505 121.720 121.300 -0.142 0.000 2.354 306 W HA -0.109 4.566 4.660 0.025 0.000 0.315 306 W C 2.872 179.524 176.519 0.221 0.000 1.206 306 W CA 1.731 59.149 57.345 0.121 0.000 1.290 306 W CB -0.759 28.767 29.460 0.109 0.000 1.152 306 W HN 0.253 nan 8.180 nan 0.000 0.489 307 S N -1.155 114.815 115.700 0.451 0.000 2.370 307 S HA -0.303 4.183 4.470 0.025 0.000 0.226 307 S C 1.508 176.314 174.600 0.344 0.000 1.033 307 S CA 1.855 60.279 58.200 0.374 0.000 1.011 307 S CB -0.746 62.633 63.200 0.298 0.000 0.852 307 S HN 0.419 nan 8.310 nan 0.000 0.457 308 H N 0.494 119.679 119.070 0.192 0.000 2.326 308 H HA -0.035 4.536 4.556 0.025 0.000 0.301 308 H C 1.826 177.276 175.328 0.204 0.000 1.081 308 H CA 1.698 57.834 56.048 0.147 0.000 1.334 308 H CB -0.480 29.326 29.762 0.074 0.000 1.385 308 H HN 0.359 nan 8.280 nan 0.000 0.504 309 F N -0.195 119.756 119.950 0.002 0.000 2.146 309 F HA -0.113 4.429 4.527 0.025 0.000 0.298 309 F C 2.048 177.908 175.800 0.100 0.000 1.096 309 F CA 1.202 59.232 58.000 0.050 0.000 1.275 309 F CB -0.799 38.349 39.000 0.247 0.000 1.008 309 F HN 0.262 nan 8.300 nan 0.000 0.480 310 F N 1.355 121.319 119.950 0.023 0.000 2.216 310 F HA -0.122 4.420 4.527 0.025 0.000 0.300 310 F C 2.186 177.917 175.800 -0.115 0.000 1.085 310 F CA 1.576 59.535 58.000 -0.067 0.000 1.326 310 F CB -0.539 38.517 39.000 0.093 0.000 1.027 310 F HN -0.146 nan 8.300 nan 0.000 0.497 311 K N -0.784 119.576 120.400 -0.068 0.000 2.160 311 K HA -0.167 4.168 4.320 0.025 0.000 0.206 311 K C 1.425 177.865 176.600 -0.266 0.000 1.047 311 K CA 1.893 58.099 56.287 -0.134 0.000 0.930 311 K CB -0.428 32.054 32.500 -0.030 0.000 0.720 311 K HN 0.460 nan 8.250 nan 0.000 0.450 312 T N -4.138 110.229 114.554 -0.312 0.000 3.111 312 T HA 0.390 4.755 4.350 0.025 0.000 0.284 312 T C 1.484 176.024 174.700 -0.266 0.000 0.983 312 T CA 0.110 62.053 62.100 -0.261 0.000 0.900 312 T CB 0.766 69.514 68.868 -0.199 0.000 1.132 312 T HN 0.063 nan 8.240 nan 0.000 0.531 313 A N 2.093 124.605 122.820 -0.514 0.000 1.858 313 A HA 0.428 4.764 4.320 0.025 0.000 0.216 313 A C 2.396 179.768 177.584 -0.353 0.000 1.190 313 A CA 1.541 53.207 52.037 -0.619 0.000 0.617 313 A CB -1.492 16.974 19.000 -0.889 0.000 0.827 313 A HN 1.591 nan 8.150 nan 0.000 0.443 314 G N -1.189 107.385 108.800 -0.377 0.000 2.155 314 G HA2 -0.257 3.718 3.960 0.025 0.000 0.257 314 G HA3 -0.257 3.718 3.960 0.025 0.000 0.257 314 G C 0.274 175.048 174.900 -0.209 0.000 0.983 314 G CA 0.860 45.803 45.100 -0.262 0.000 0.676 314 G HN 1.598 nan 8.290 nan 0.000 0.528 315 I N -4.078 116.360 120.570 -0.221 0.000 3.239 315 I HA 0.740 4.926 4.170 0.025 0.000 0.314 315 I C 0.091 176.112 176.117 -0.160 0.000 1.126 315 I CA -1.594 59.617 61.300 -0.150 0.000 0.973 315 I CB 1.513 39.472 38.000 -0.069 0.000 1.252 315 I HN 0.039 nan 8.210 nan 0.000 0.463 316 Q N 2.202 121.929 119.800 -0.122 0.000 2.289 316 Q HA 0.275 4.630 4.340 0.025 0.000 0.273 316 Q C -1.325 174.668 176.000 -0.012 0.000 1.029 316 Q CA -0.081 55.666 55.803 -0.095 0.000 0.896 316 Q CB 0.686 29.441 28.738 0.029 0.000 1.182 316 Q HN 0.490 nan 8.270 nan 0.000 0.385 317 I N 5.513 126.103 120.570 0.033 0.000 2.382 317 I HA 0.265 4.450 4.170 0.025 0.000 0.286 317 I C -0.546 175.575 176.117 0.006 0.000 1.002 317 I CA -0.669 60.672 61.300 0.068 0.000 1.135 317 I CB 1.359 39.511 38.000 0.254 0.000 1.288 317 I HN 0.413 nan 8.210 nan 0.000 0.448 318 V N 5.598 125.521 119.914 0.014 0.000 2.394 318 V HA 0.603 4.738 4.120 0.025 0.000 0.282 318 V C 0.618 176.797 176.094 0.141 0.000 1.031 318 V CA -0.774 61.528 62.300 0.002 0.000 0.881 318 V CB 1.525 33.321 31.823 -0.046 0.000 0.982 318 V HN 0.839 nan 8.190 nan 0.000 0.451 319 A N 2.972 125.836 122.820 0.075 0.000 2.289 319 A HA 0.573 4.908 4.320 0.025 0.000 0.298 319 A C 0.295 177.903 177.584 0.041 0.000 1.208 319 A CA -0.183 51.881 52.037 0.046 0.000 0.845 319 A CB 0.705 19.632 19.000 -0.120 0.000 1.125 319 A HN 0.905 nan 8.150 nan 0.000 0.517 320 D N 2.807 123.237 120.400 0.050 0.000 3.061 320 D HA 0.200 4.855 4.640 0.025 0.000 0.243 320 D C 1.861 178.154 176.300 -0.012 0.000 1.572 320 D CA 1.078 55.090 54.000 0.020 0.000 1.269 320 D CB -0.112 40.703 40.800 0.024 0.000 1.023 320 D HN 0.413 nan 8.370 nan 0.000 0.280 321 A N 0.450 123.264 122.820 -0.010 0.000 2.015 321 A HA -0.004 4.331 4.320 0.025 0.000 0.219 321 A C 2.238 179.777 177.584 -0.076 0.000 1.163 321 A CA 1.281 53.301 52.037 -0.028 0.000 0.646 321 A CB -0.833 18.148 19.000 -0.033 0.000 0.806 321 A HN 0.391 nan 8.150 nan 0.000 0.448 322 L N 0.309 121.413 121.223 -0.199 0.000 2.017 322 L HA -0.147 4.208 4.340 0.025 0.000 0.208 322 L C 2.514 179.203 176.870 -0.302 0.000 1.073 322 L CA 2.921 57.468 54.840 -0.488 0.000 0.745 322 L CB -0.480 40.930 42.059 -1.081 0.000 0.894 322 L HN 0.517 nan 8.230 nan 0.000 0.432 323 T N -3.961 110.493 114.554 -0.167 0.000 3.015 323 T HA 0.117 4.482 4.350 0.025 0.000 0.250 323 T C 0.981 175.667 174.700 -0.024 0.000 1.057 323 T CA 0.396 62.460 62.100 -0.059 0.000 1.066 323 T CB -0.600 68.263 68.868 -0.008 0.000 0.959 323 T HN 0.605 nan 8.240 nan 0.000 0.488 324 V N 0.738 120.644 119.914 -0.013 0.000 5.257 324 V HA -0.269 3.867 4.120 0.025 0.000 0.265 324 V C 0.428 176.521 176.094 -0.001 0.000 0.646 324 V CA 0.798 63.102 62.300 0.007 0.000 0.650 324 V CB -3.529 28.317 31.823 0.038 0.000 0.424 324 V HN 0.745 nan 8.190 nan 0.000 0.862 325 T N -1.321 113.229 114.554 -0.007 0.000 3.935 325 T HA -0.271 4.094 4.350 0.025 0.000 0.346 325 T C 0.254 174.935 174.700 -0.031 0.000 0.758 325 T CA 1.577 63.667 62.100 -0.017 0.000 1.874 325 T CB -1.560 67.304 68.868 -0.007 0.000 1.875 325 T HN 1.362 nan 8.240 nan 0.000 0.802 326 N N 0.760 119.438 118.700 -0.037 0.000 2.476 326 N HA 0.312 5.068 4.740 0.025 0.000 0.257 326 N C -1.802 173.665 175.510 -0.072 0.000 0.970 326 N CA -2.389 50.634 53.050 -0.045 0.000 0.938 326 N CB 2.033 40.502 38.487 -0.032 0.000 1.144 326 N HN -0.091 nan 8.380 nan 0.000 0.500 327 P HA -0.198 nan 4.420 nan 0.000 0.217 327 P C 1.234 178.465 177.300 -0.115 0.000 1.151 327 P CA 2.189 65.223 63.100 -0.110 0.000 0.849 327 P CB 0.365 32.010 31.700 -0.091 0.000 0.787 328 K N 0.334 120.678 120.400 -0.093 0.000 2.025 328 K HA -0.135 4.200 4.320 0.025 0.000 0.207 328 K C 2.153 178.689 176.600 -0.106 0.000 1.049 328 K CA 1.629 57.857 56.287 -0.098 0.000 0.933 328 K CB -1.415 31.036 32.500 -0.082 0.000 0.714 328 K HN 0.180 nan 8.250 nan 0.000 0.438 329 R N -0.526 119.927 120.500 -0.078 0.000 2.119 329 R HA 0.200 4.555 4.340 0.025 0.000 0.222 329 R C 2.434 178.726 176.300 -0.014 0.000 1.088 329 R CA 1.116 57.201 56.100 -0.025 0.000 0.984 329 R CB -0.412 29.891 30.300 0.005 0.000 0.884 329 R HN 0.439 nan 8.270 nan 0.000 0.447 330 I N 0.800 121.312 120.570 -0.097 0.000 2.179 330 I HA -0.266 3.919 4.170 0.025 0.000 0.242 330 I C 2.618 178.571 176.117 -0.274 0.000 1.088 330 I CA 1.296 62.471 61.300 -0.209 0.000 1.357 330 I CB -0.403 37.423 38.000 -0.290 0.000 1.051 330 I HN 0.150 nan 8.210 nan 0.000 0.409 331 A N 0.308 122.992 122.820 -0.226 0.000 1.917 331 A HA -0.246 4.090 4.320 0.025 0.000 0.219 331 A C 2.384 179.851 177.584 -0.195 0.000 1.182 331 A CA 2.645 54.553 52.037 -0.215 0.000 0.633 331 A CB -1.183 17.714 19.000 -0.171 0.000 0.819 331 A HN 0.418 nan 8.150 nan 0.000 0.448 332 T N 0.138 114.571 114.554 -0.201 0.000 2.777 332 T HA 0.019 4.384 4.350 0.025 0.000 0.266 332 T C 2.229 176.801 174.700 -0.213 0.000 1.040 332 T CA 1.531 63.450 62.100 -0.303 0.000 1.141 332 T CB -0.448 68.108 68.868 -0.520 0.000 0.868 332 T HN 0.615 nan 8.240 nan 0.000 0.444 333 A N 0.985 123.815 122.820 0.017 0.000 1.933 333 A HA -0.004 4.331 4.320 0.025 0.000 0.218 333 A C 2.271 179.982 177.584 0.212 0.000 1.175 333 A CA 1.130 53.334 52.037 0.280 0.000 0.628 333 A CB -0.750 18.480 19.000 0.383 0.000 0.814 333 A HN 0.519 nan 8.150 nan 0.000 0.444 334 I N -0.628 119.934 120.570 -0.014 0.000 2.202 334 I HA -0.249 3.936 4.170 0.025 0.000 0.242 334 I C 2.597 178.727 176.117 0.021 0.000 1.091 334 I CA 1.729 63.007 61.300 -0.037 0.000 1.368 334 I CB -0.318 37.491 38.000 -0.319 0.000 1.058 334 I HN 0.543 nan 8.210 nan 0.000 0.410 335 E N 1.782 121.955 120.200 -0.046 0.000 2.058 335 E HA -0.271 4.094 4.350 0.025 0.000 0.194 335 E C 1.873 178.472 176.600 -0.002 0.000 0.997 335 E CA 1.492 57.866 56.400 -0.043 0.000 0.801 335 E CB 0.024 29.663 29.700 -0.101 0.000 0.746 335 E HN 0.419 nan 8.360 nan 0.000 0.450 336 K N 0.369 120.770 120.400 0.002 0.000 2.525 336 K HA 0.001 4.336 4.320 0.025 0.000 0.192 336 K C -0.040 176.636 176.600 0.127 0.000 1.029 336 K CA 0.205 56.526 56.287 0.057 0.000 1.029 336 K CB 0.075 32.613 32.500 0.063 0.000 0.814 336 K HN 0.081 nan 8.250 nan 0.000 0.503 337 K N -0.314 120.155 120.400 0.115 0.000 3.451 337 K HA -0.243 4.092 4.320 0.025 0.000 0.273 337 K C 0.511 177.096 176.600 -0.026 0.000 0.944 337 K CA 0.174 56.497 56.287 0.059 0.000 0.734 337 K CB -1.211 31.393 32.500 0.174 0.000 1.437 337 K HN 0.341 nan 8.250 nan 0.000 0.454 338 A N -0.075 122.765 122.820 0.033 0.000 2.081 338 A HA 0.478 4.813 4.320 0.025 0.000 0.214 338 A C 0.785 178.391 177.584 0.038 0.000 1.158 338 A CA 1.275 53.410 52.037 0.163 0.000 0.724 338 A CB 0.342 19.474 19.000 0.220 0.000 0.826 338 A HN 0.695 nan 8.150 nan 0.000 0.463 339 A N -0.677 121.855 122.820 -0.480 0.000 2.536 339 A HA 0.553 4.889 4.320 0.025 0.000 0.293 339 A C -1.294 175.457 177.584 -1.388 0.000 1.119 339 A CA 0.230 51.859 52.037 -0.679 0.000 0.654 339 A CB 0.349 19.128 19.000 -0.368 0.000 1.291 339 A HN 0.263 nan 8.150 nan 0.000 0.439 340 D N -1.233 118.491 120.400 -1.127 0.000 2.594 340 D HA 0.544 5.200 4.640 0.025 0.000 0.256 340 D C -0.201 175.572 176.300 -0.878 0.000 1.393 340 D CA 0.729 53.985 54.000 -1.240 0.000 0.797 340 D CB 0.512 41.222 40.800 -0.149 0.000 1.110 340 D HN 1.293 nan 8.370 nan 0.000 0.495 341 A N 0.158 122.441 122.820 -0.895 0.000 2.547 341 A HA 0.600 4.935 4.320 0.025 0.000 0.297 341 A C -1.918 175.629 177.584 -0.061 0.000 1.056 341 A CA -0.921 50.981 52.037 -0.226 0.000 0.688 341 A CB 1.482 20.464 19.000 -0.031 0.000 1.282 341 A HN 0.177 nan 8.150 nan 0.000 0.400 342 L N 1.787 123.150 121.223 0.232 0.000 2.295 342 L HA 0.734 5.089 4.340 0.025 0.000 0.285 342 L C -0.883 176.031 176.870 0.074 0.000 1.035 342 L CA -0.599 54.372 54.840 0.219 0.000 0.806 342 L CB 1.259 43.433 42.059 0.191 0.000 1.214 342 L HN 0.672 nan 8.230 nan 0.000 0.426 343 L N 5.838 127.093 121.223 0.052 0.000 2.278 343 L HA 0.388 4.743 4.340 0.025 0.000 0.287 343 L C -0.670 176.218 176.870 0.031 0.000 1.072 343 L CA 0.250 55.107 54.840 0.029 0.000 0.819 343 L CB 0.742 42.814 42.059 0.022 0.000 1.176 343 L HN 0.698 nan 8.230 nan 0.000 0.435 344 L N 6.286 127.528 121.223 0.032 0.000 2.255 344 L HA 0.423 4.778 4.340 0.025 0.000 0.289 344 L C -0.716 176.184 176.870 0.050 0.000 1.046 344 L CA -0.333 54.525 54.840 0.029 0.000 0.816 344 L CB 0.070 42.141 42.059 0.021 0.000 1.197 344 L HN 0.623 nan 8.230 nan 0.000 0.427 345 K N 4.399 124.822 120.400 0.039 0.000 2.535 345 K HA 0.191 4.526 4.320 0.025 0.000 0.253 345 K C 0.932 177.547 176.600 0.026 0.000 0.953 345 K CA -0.499 55.813 56.287 0.043 0.000 0.863 345 K CB 2.041 34.559 32.500 0.031 0.000 1.111 345 K HN 0.562 nan 8.250 nan 0.000 0.431 346 V N 0.233 120.168 119.914 0.034 0.000 2.380 346 V HA -0.311 3.824 4.120 0.025 0.000 0.251 346 V C 1.698 177.779 176.094 -0.021 0.000 1.063 346 V CA 2.036 64.340 62.300 0.007 0.000 1.055 346 V CB -0.574 31.245 31.823 -0.007 0.000 0.657 346 V HN 0.892 nan 8.190 nan 0.000 0.455 347 N N 0.279 118.966 118.700 -0.022 0.000 2.515 347 N HA -0.134 4.621 4.740 0.025 0.000 0.185 347 N C 1.716 177.211 175.510 -0.025 0.000 1.109 347 N CA 1.219 54.248 53.050 -0.035 0.000 0.903 347 N CB -0.289 38.172 38.487 -0.043 0.000 0.969 347 N HN 0.703 nan 8.380 nan 0.000 0.450 348 Q N -0.303 119.489 119.800 -0.013 0.000 2.167 348 Q HA -0.010 4.345 4.340 0.025 0.000 0.202 348 Q C 1.329 177.324 176.000 -0.009 0.000 0.970 348 Q CA 1.053 56.851 55.803 -0.008 0.000 0.855 348 Q CB 0.142 28.880 28.738 0.000 0.000 0.911 348 Q HN 0.366 nan 8.270 nan 0.000 0.438 349 I N -2.149 118.413 120.570 -0.014 0.000 3.300 349 I HA 0.172 4.357 4.170 0.025 0.000 0.279 349 I C 1.156 177.258 176.117 -0.024 0.000 1.172 349 I CA 1.416 62.706 61.300 -0.017 0.000 1.431 349 I CB 0.932 38.921 38.000 -0.018 0.000 1.240 349 I HN 0.215 nan 8.210 nan 0.000 0.453 350 G N 0.201 108.982 108.800 -0.032 0.000 2.211 350 G HA2 -0.167 3.808 3.960 0.025 0.000 0.201 350 G HA3 -0.167 3.808 3.960 0.025 0.000 0.201 350 G C 0.487 175.357 174.900 -0.050 0.000 0.997 350 G CA 0.260 45.334 45.100 -0.044 0.000 0.652 350 G HN 0.721 nan 8.290 nan 0.000 0.500 351 T N -2.252 112.278 114.554 -0.039 0.000 2.903 351 T HA 0.648 5.013 4.350 0.025 0.000 0.299 351 T C 0.957 175.641 174.700 -0.027 0.000 1.093 351 T CA 0.028 62.106 62.100 -0.037 0.000 1.002 351 T CB 2.057 70.917 68.868 -0.014 0.000 1.127 351 T HN 0.880 nan 8.240 nan 0.000 0.488 352 L N 2.069 123.276 121.223 -0.027 0.000 2.042 352 L HA 0.026 4.381 4.340 0.025 0.000 0.210 352 L C 2.558 179.448 176.870 0.033 0.000 1.076 352 L CA 2.082 56.932 54.840 0.017 0.000 0.749 352 L CB -1.266 40.818 42.059 0.042 0.000 0.893 352 L HN 0.861 nan 8.230 nan 0.000 0.432 353 S N -0.494 115.222 115.700 0.026 0.000 2.368 353 S HA -0.200 4.285 4.470 0.025 0.000 0.225 353 S C 1.775 176.380 174.600 0.008 0.000 1.030 353 S CA 1.552 59.766 58.200 0.023 0.000 0.999 353 S CB -0.299 62.917 63.200 0.027 0.000 0.844 353 S HN 0.563 nan 8.310 nan 0.000 0.459 354 E N 0.941 121.141 120.200 -0.000 0.000 2.106 354 E HA -0.062 4.303 4.350 0.025 0.000 0.192 354 E C 2.245 178.834 176.600 -0.017 0.000 0.984 354 E CA 1.171 57.563 56.400 -0.013 0.000 0.806 354 E CB -0.100 29.590 29.700 -0.017 0.000 0.750 354 E HN 0.337 nan 8.360 nan 0.000 0.458 355 S N 0.806 116.504 115.700 -0.005 0.000 2.368 355 S HA -0.118 4.367 4.470 0.025 0.000 0.224 355 S C 2.031 176.629 174.600 -0.003 0.000 1.029 355 S CA 0.771 58.972 58.200 0.000 0.000 0.988 355 S CB -0.137 63.080 63.200 0.028 0.000 0.838 355 S HN 0.194 nan 8.310 nan 0.000 0.462 356 I N 1.263 121.842 120.570 0.014 0.000 2.226 356 I HA -0.189 3.996 4.170 0.025 0.000 0.245 356 I C 2.510 178.618 176.117 -0.014 0.000 1.100 356 I CA 1.102 62.411 61.300 0.016 0.000 1.374 356 I CB -0.205 37.814 38.000 0.031 0.000 1.057 356 I HN 0.159 nan 8.210 nan 0.000 0.413 357 K N 1.639 122.025 120.400 -0.023 0.000 2.063 357 K HA -0.150 4.185 4.320 0.025 0.000 0.208 357 K C 2.046 178.597 176.600 -0.081 0.000 1.048 357 K CA 1.859 58.120 56.287 -0.043 0.000 0.928 357 K CB -0.532 31.944 32.500 -0.040 0.000 0.713 357 K HN 0.279 nan 8.250 nan 0.000 0.442 358 A N 0.442 123.210 122.820 -0.087 0.000 1.908 358 A HA -0.113 4.222 4.320 0.025 0.000 0.218 358 A C 2.384 179.854 177.584 -0.189 0.000 1.181 358 A CA 2.314 54.276 52.037 -0.126 0.000 0.627 358 A CB -1.122 17.823 19.000 -0.092 0.000 0.818 358 A HN 0.439 nan 8.150 nan 0.000 0.445 359 A N -0.925 121.781 122.820 -0.190 0.000 1.873 359 A HA -0.187 4.148 4.320 0.025 0.000 0.215 359 A C 2.132 179.466 177.584 -0.417 0.000 1.186 359 A CA 1.638 53.452 52.037 -0.371 0.000 0.616 359 A CB -0.584 18.269 19.000 -0.245 0.000 0.823 359 A HN 0.643 nan 8.150 nan 0.000 0.442 360 Q N -0.405 119.317 119.800 -0.130 0.000 2.084 360 Q HA -0.192 4.163 4.340 0.025 0.000 0.202 360 Q C 1.540 177.509 176.000 -0.052 0.000 0.978 360 Q CA 1.534 57.341 55.803 0.007 0.000 0.844 360 Q CB -0.231 28.523 28.738 0.026 0.000 0.898 360 Q HN 0.581 nan 8.270 nan 0.000 0.426 361 D N -0.137 120.182 120.400 -0.134 0.000 2.117 361 D HA -0.105 4.550 4.640 0.025 0.000 0.197 361 D C 1.992 178.132 176.300 -0.268 0.000 0.987 361 D CA 1.129 55.020 54.000 -0.181 0.000 0.829 361 D CB -0.152 40.521 40.800 -0.211 0.000 0.961 361 D HN 0.057 nan 8.370 nan 0.000 0.460 362 S N 0.198 115.695 115.700 -0.339 0.000 2.348 362 S HA -0.112 4.373 4.470 0.025 0.000 0.221 362 S C 1.792 176.334 174.600 -0.097 0.000 1.033 362 S CA 0.606 58.581 58.200 -0.375 0.000 1.010 362 S CB -0.348 62.673 63.200 -0.298 0.000 0.891 362 S HN 0.154 nan 8.310 nan 0.000 0.442 363 F N 2.045 121.995 119.950 -0.001 0.000 2.126 363 F HA -0.042 4.499 4.527 0.024 0.000 0.299 363 F C 2.627 178.427 175.800 -0.001 0.000 1.096 363 F CA 0.275 58.291 58.000 0.026 0.000 1.255 363 F CB -1.348 37.657 39.000 0.009 0.000 0.997 363 F HN 0.189 nan 8.300 nan 0.000 0.479 364 A N -0.254 122.649 122.820 0.137 0.000 2.019 364 A HA 0.021 4.356 4.320 0.025 0.000 0.219 364 A C 2.270 179.867 177.584 0.022 0.000 1.164 364 A CA 1.557 53.624 52.037 0.049 0.000 0.644 364 A CB -1.092 17.905 19.000 -0.004 0.000 0.805 364 A HN 0.270 nan 8.150 nan 0.000 0.449 365 A N -1.887 120.923 122.820 -0.017 0.000 2.251 365 A HA 0.424 4.760 4.320 0.025 0.000 0.209 365 A C 1.725 179.424 177.584 0.193 0.000 1.187 365 A CA 1.108 53.140 52.037 -0.009 0.000 0.823 365 A CB -0.870 17.971 19.000 -0.265 0.000 0.846 365 A HN 1.854 nan 8.150 nan 0.000 0.486 366 G N -2.468 106.472 108.800 0.233 0.000 2.143 366 G HA2 -0.259 3.717 3.960 0.025 0.000 0.248 366 G HA3 -0.259 3.717 3.960 0.025 0.000 0.248 366 G C -0.142 175.069 174.900 0.518 0.000 0.991 366 G CA 0.205 45.492 45.100 0.312 0.000 0.689 366 G HN 0.360 nan 8.290 nan 0.000 0.522 367 W N 0.353 121.749 121.300 0.160 0.000 2.215 367 W HA 0.625 5.300 4.660 0.025 0.000 0.342 367 W C 1.061 177.606 176.519 0.043 0.000 1.237 367 W CA 0.226 57.629 57.345 0.096 0.000 1.283 367 W CB 0.531 29.998 29.460 0.012 0.000 1.131 367 W HN 0.432 nan 8.180 nan 0.000 0.606 368 G N 0.059 108.865 108.800 0.011 0.000 2.528 368 G HA2 0.551 4.527 3.960 0.025 0.000 0.289 368 G HA3 0.551 4.527 3.960 0.025 0.000 0.289 368 G C -1.645 173.322 174.900 0.111 0.000 1.192 368 G CA -0.607 44.466 45.100 -0.044 0.000 0.921 368 G HN 0.273 nan 8.290 nan 0.000 0.512 369 V N 1.151 121.151 119.914 0.144 0.000 2.623 369 V HA 0.432 4.567 4.120 0.025 0.000 0.304 369 V C -0.267 175.883 176.094 0.093 0.000 1.054 369 V CA -0.527 61.792 62.300 0.033 0.000 0.882 369 V CB 1.756 33.465 31.823 -0.191 0.000 1.002 369 V HN 0.800 nan 8.190 nan 0.000 0.424 370 M N 5.548 125.175 119.600 0.045 0.000 2.072 370 M HA 0.536 5.031 4.480 0.025 0.000 0.331 370 M C -0.977 175.347 176.300 0.040 0.000 1.004 370 M CA -0.491 54.826 55.300 0.029 0.000 0.952 370 M CB 1.331 33.885 32.600 -0.078 0.000 1.511 370 M HN 0.484 nan 8.290 nan 0.000 0.422 371 V N 3.632 123.588 119.914 0.070 0.000 2.740 371 V HA 0.220 4.355 4.120 0.025 0.000 0.303 371 V C 0.224 176.368 176.094 0.083 0.000 1.054 371 V CA 0.121 62.468 62.300 0.079 0.000 1.106 371 V CB 1.299 33.176 31.823 0.090 0.000 0.957 371 V HN 0.896 nan 8.190 nan 0.000 0.486 372 S N 2.451 118.215 115.700 0.107 0.000 2.536 372 S HA 0.521 5.006 4.470 0.025 0.000 0.287 372 S C -0.453 174.282 174.600 0.225 0.000 1.101 372 S CA -0.861 57.438 58.200 0.165 0.000 0.950 372 S CB 0.928 64.221 63.200 0.156 0.000 1.056 372 S HN 0.994 nan 8.310 nan 0.000 0.481 373 H N 2.061 121.163 119.070 0.053 0.000 2.639 373 H HA 0.629 5.200 4.556 0.025 0.000 0.373 373 H C 0.047 175.392 175.328 0.029 0.000 1.372 373 H CA -0.987 55.087 56.048 0.043 0.000 1.448 373 H CB 0.435 30.219 29.762 0.036 0.000 1.544 373 H HN 0.278 nan 8.280 nan 0.000 0.615 374 R N 0.051 120.496 120.500 -0.093 0.000 2.674 374 R HA 0.109 4.464 4.340 0.025 0.000 0.266 374 R C 1.215 177.261 176.300 -0.422 0.000 1.016 374 R CA -0.256 55.706 56.100 -0.230 0.000 1.062 374 R CB 1.300 31.538 30.300 -0.103 0.000 1.142 374 R HN 0.937 nan 8.270 nan 0.000 0.517 375 S N -0.663 114.796 115.700 -0.401 0.000 2.423 375 S HA -0.031 4.454 4.470 0.025 0.000 0.231 375 S C 1.100 175.545 174.600 -0.259 0.000 1.014 375 S CA 0.585 58.496 58.200 -0.483 0.000 0.965 375 S CB -0.040 62.710 63.200 -0.750 0.000 0.785 375 S HN 0.683 nan 8.310 nan 0.000 0.495 376 G N 1.840 110.542 108.800 -0.164 0.000 2.696 376 G HA2 0.504 4.479 3.960 0.025 0.000 0.329 376 G HA3 0.504 4.479 3.960 0.025 0.000 0.329 376 G C -0.308 174.556 174.900 -0.060 0.000 0.973 376 G CA -0.423 44.624 45.100 -0.087 0.000 1.257 376 G HN 0.114 nan 8.290 nan 0.000 0.456 377 E N 0.408 120.590 120.200 -0.030 0.000 2.405 377 E HA 0.684 5.049 4.350 0.025 0.000 0.249 377 E C 0.558 177.171 176.600 0.022 0.000 1.028 377 E CA -0.313 56.094 56.400 0.012 0.000 0.897 377 E CB 1.965 31.701 29.700 0.060 0.000 1.262 377 E HN 0.546 nan 8.360 nan 0.000 0.442 378 T N -2.957 111.620 114.554 0.038 0.000 2.716 378 T HA 0.212 4.577 4.350 0.025 0.000 0.286 378 T C 0.692 175.423 174.700 0.052 0.000 1.052 378 T CA -0.667 61.457 62.100 0.039 0.000 1.024 378 T CB 0.902 69.787 68.868 0.027 0.000 1.349 378 T HN 0.389 nan 8.240 nan 0.000 0.525 379 E N 0.374 120.604 120.200 0.050 0.000 2.516 379 E HA -0.070 4.296 4.350 0.025 0.000 0.199 379 E C 0.208 176.846 176.600 0.062 0.000 1.069 379 E CA 0.105 56.537 56.400 0.053 0.000 0.876 379 E CB -0.353 29.376 29.700 0.049 0.000 0.843 379 E HN 0.731 nan 8.360 nan 0.000 0.530 380 D N 2.114 122.555 120.400 0.069 0.000 2.443 380 D HA -0.045 4.610 4.640 0.025 0.000 0.239 380 D C 0.369 176.736 176.300 0.112 0.000 1.136 380 D CA 0.903 54.959 54.000 0.094 0.000 0.879 380 D CB 1.062 41.916 40.800 0.091 0.000 1.195 380 D HN 0.133 nan 8.370 nan 0.000 0.443 381 T N 1.054 115.684 114.554 0.128 0.000 3.182 381 T HA 0.033 4.399 4.350 0.025 0.000 0.277 381 T C 1.565 176.339 174.700 0.123 0.000 1.013 381 T CA -0.581 61.581 62.100 0.105 0.000 0.900 381 T CB -0.431 68.477 68.868 0.066 0.000 1.098 381 T HN 0.375 nan 8.240 nan 0.000 0.543 382 F N 3.412 123.392 119.950 0.050 0.000 2.087 382 F HA -0.119 4.421 4.527 0.022 0.000 0.299 382 F C 1.889 177.722 175.800 0.056 0.000 1.100 382 F CA 2.053 60.086 58.000 0.056 0.000 1.226 382 F CB -0.284 38.746 39.000 0.050 0.000 0.983 382 F HN 0.349 nan 8.300 nan 0.000 0.479 383 I N -1.275 119.416 120.570 0.202 0.000 2.567 383 I HA -0.113 4.072 4.170 0.025 0.000 0.257 383 I C 2.275 178.388 176.117 -0.007 0.000 1.184 383 I CA 1.284 62.654 61.300 0.117 0.000 1.451 383 I CB -1.269 36.829 38.000 0.163 0.000 1.089 383 I HN 0.138 nan 8.210 nan 0.000 0.441 384 A N 1.924 124.726 122.820 -0.030 0.000 1.877 384 A HA -0.226 4.109 4.320 0.025 0.000 0.216 384 A C 1.818 179.333 177.584 -0.114 0.000 1.186 384 A CA 2.311 54.304 52.037 -0.074 0.000 0.620 384 A CB -0.947 18.010 19.000 -0.071 0.000 0.822 384 A HN 0.512 nan 8.150 nan 0.000 0.443 385 D N -0.734 119.579 120.400 -0.144 0.000 2.144 385 D HA -0.101 4.554 4.640 0.025 0.000 0.200 385 D C 1.777 177.981 176.300 -0.159 0.000 0.978 385 D CA 1.026 54.951 54.000 -0.124 0.000 0.833 385 D CB -0.133 40.566 40.800 -0.169 0.000 0.961 385 D HN 0.311 nan 8.370 nan 0.000 0.470 386 L N 0.372 121.422 121.223 -0.287 0.000 2.017 386 L HA -0.108 4.247 4.340 0.025 0.000 0.208 386 L C 2.155 179.021 176.870 -0.006 0.000 1.073 386 L CA 1.332 56.080 54.840 -0.153 0.000 0.745 386 L CB -0.639 41.380 42.059 -0.066 0.000 0.894 386 L HN 0.021 nan 8.230 nan 0.000 0.432 387 V N -1.315 118.600 119.914 0.001 0.000 2.407 387 V HA -0.220 3.916 4.120 0.025 0.000 0.248 387 V C 2.356 178.477 176.094 0.044 0.000 1.055 387 V CA 1.815 64.142 62.300 0.045 0.000 1.049 387 V CB 0.030 31.878 31.823 0.042 0.000 0.662 387 V HN 0.338 nan 8.190 nan 0.000 0.455 388 V N 0.610 120.523 119.914 -0.001 0.000 2.323 388 V HA -0.060 4.075 4.120 0.025 0.000 0.244 388 V C 2.732 178.908 176.094 0.137 0.000 1.041 388 V CA 1.933 64.242 62.300 0.015 0.000 1.025 388 V CB -1.444 30.287 31.823 -0.154 0.000 0.656 388 V HN 0.604 nan 8.190 nan 0.000 0.451 389 G N -0.051 108.833 108.800 0.139 0.000 2.440 389 G HA2 -0.220 3.756 3.960 0.025 0.000 0.218 389 G HA3 -0.220 3.756 3.960 0.025 0.000 0.218 389 G C 1.513 176.493 174.900 0.134 0.000 1.154 389 G CA 0.883 46.083 45.100 0.167 0.000 0.767 389 G HN 0.488 nan 8.290 nan 0.000 0.552 390 L N -1.084 120.214 121.223 0.127 0.000 2.554 390 L HA 0.247 4.602 4.340 0.025 0.000 0.226 390 L C 1.713 178.677 176.870 0.156 0.000 1.137 390 L CA 0.188 55.134 54.840 0.177 0.000 0.863 390 L CB 0.056 42.249 42.059 0.223 0.000 0.985 390 L HN 0.257 nan 8.230 nan 0.000 0.451 391 R N 0.258 120.817 120.500 0.099 0.000 3.651 391 R HA -0.221 4.135 4.340 0.025 0.000 0.292 391 R C 1.440 177.753 176.300 0.021 0.000 1.161 391 R CA 0.710 56.826 56.100 0.026 0.000 0.787 391 R CB -1.599 28.658 30.300 -0.071 0.000 1.249 391 R HN 0.508 nan 8.270 nan 0.000 0.476 392 T N -4.234 110.409 114.554 0.147 0.000 2.951 392 T HA 0.102 4.467 4.350 0.025 0.000 0.268 392 T C 1.590 176.384 174.700 0.156 0.000 1.073 392 T CA 1.389 63.634 62.100 0.241 0.000 1.134 392 T CB 0.236 69.299 68.868 0.325 0.000 0.884 392 T HN 0.939 nan 8.240 nan 0.000 0.479 393 G N 1.397 110.268 108.800 0.117 0.000 2.184 393 G HA2 -0.231 3.744 3.960 0.025 0.000 0.264 393 G HA3 -0.231 3.744 3.960 0.025 0.000 0.264 393 G C -0.130 174.887 174.900 0.195 0.000 0.975 393 G CA 0.366 45.532 45.100 0.110 0.000 0.642 393 G HN 1.083 nan 8.290 nan 0.000 0.536 394 Q N -1.131 118.802 119.800 0.221 0.000 2.295 394 Q HA 0.787 5.142 4.340 0.025 0.000 0.268 394 Q C -1.103 175.017 176.000 0.200 0.000 1.010 394 Q CA -1.120 54.852 55.803 0.281 0.000 0.856 394 Q CB 2.337 31.301 28.738 0.376 0.000 1.349 394 Q HN 0.600 nan 8.270 nan 0.000 0.412 395 I N 1.796 122.504 120.570 0.230 0.000 2.769 395 I HA 0.519 4.704 4.170 0.025 0.000 0.298 395 I C -1.736 174.475 176.117 0.156 0.000 1.128 395 I CA -0.924 60.465 61.300 0.149 0.000 1.031 395 I CB 2.332 40.402 38.000 0.117 0.000 1.235 395 I HN 0.801 nan 8.210 nan 0.000 0.423 396 K N 3.926 124.361 120.400 0.059 0.000 2.358 396 K HA 0.460 4.795 4.320 0.025 0.000 0.260 396 K C -0.760 175.681 176.600 -0.266 0.000 0.956 396 K CA -0.551 55.731 56.287 -0.009 0.000 0.834 396 K CB 1.898 34.419 32.500 0.034 0.000 1.102 396 K HN 0.491 nan 8.250 nan 0.000 0.431 397 T N 1.814 116.113 114.554 -0.425 0.000 3.475 397 T HA 0.377 4.742 4.350 0.025 0.000 0.310 397 T C 0.072 174.400 174.700 -0.621 0.000 0.963 397 T CA 0.381 62.073 62.100 -0.680 0.000 0.985 397 T CB -0.245 68.517 68.868 -0.176 0.000 1.198 397 T HN 1.147 nan 8.240 nan 0.000 0.508 398 G N 1.066 109.545 108.800 -0.535 0.000 2.462 398 G HA2 0.373 4.348 3.960 0.025 0.000 0.685 398 G HA3 0.373 4.348 3.960 0.025 0.000 0.685 398 G C -0.121 174.735 174.900 -0.072 0.000 1.295 398 G CA -0.401 44.634 45.100 -0.108 0.000 0.941 398 G HN 0.797 nan 8.290 nan 0.000 0.554 399 A N 0.397 123.185 122.820 -0.053 0.000 2.386 399 A HA 0.693 5.028 4.320 0.025 0.000 0.246 399 A C -1.013 176.394 177.584 -0.296 0.000 1.089 399 A CA -0.127 51.797 52.037 -0.190 0.000 0.790 399 A CB 0.112 18.979 19.000 -0.221 0.000 1.042 399 A HN 0.824 nan 8.150 nan 0.000 0.497 400 P HA 0.329 nan 4.420 nan 0.000 0.237 400 P C -0.576 176.460 177.300 -0.441 0.000 1.723 400 P CA 0.806 63.669 63.100 -0.395 0.000 0.882 400 P CB -0.424 31.052 31.700 -0.372 0.000 1.810 401 A N 0.649 123.259 122.820 -0.349 0.000 2.594 401 A HA 0.738 5.073 4.320 0.025 0.000 0.295 401 A C -0.739 176.805 177.584 -0.067 0.000 1.071 401 A CA -0.779 51.151 52.037 -0.178 0.000 0.685 401 A CB 1.273 20.178 19.000 -0.158 0.000 1.285 401 A HN 0.142 nan 8.150 nan 0.000 0.405 402 R N 0.652 121.148 120.500 -0.006 0.000 1.272 402 R HA -0.107 4.248 4.340 0.025 0.000 0.419 402 R C 0.372 176.681 176.300 0.014 0.000 1.318 402 R CA 0.553 56.663 56.100 0.016 0.000 1.012 402 R CB -1.420 28.895 30.300 0.026 0.000 3.123 402 R HN 0.796 nan 8.270 nan 0.000 0.502 403 S N 1.643 117.357 115.700 0.023 0.000 2.515 403 S HA -0.119 4.366 4.470 0.025 0.000 0.231 403 S C 1.665 176.285 174.600 0.034 0.000 0.987 403 S CA 1.087 59.303 58.200 0.026 0.000 0.936 403 S CB -0.022 63.195 63.200 0.029 0.000 0.766 403 S HN 0.708 nan 8.310 nan 0.000 0.528 404 E N 1.595 121.819 120.200 0.040 0.000 2.338 404 E HA -0.137 4.228 4.350 0.025 0.000 0.197 404 E C 1.386 178.023 176.600 0.061 0.000 1.007 404 E CA 0.691 57.122 56.400 0.052 0.000 0.849 404 E CB -0.038 29.694 29.700 0.053 0.000 0.774 404 E HN 0.359 nan 8.360 nan 0.000 0.506 405 R N 0.119 120.645 120.500 0.044 0.000 2.087 405 R HA 0.172 4.528 4.340 0.025 0.000 0.213 405 R C 2.435 178.742 176.300 0.011 0.000 1.137 405 R CA 0.100 56.215 56.100 0.026 0.000 1.022 405 R CB -0.737 29.563 30.300 -0.000 0.000 0.920 405 R HN 0.162 nan 8.270 nan 0.000 0.451 406 L N 1.561 122.787 121.223 0.005 0.000 2.191 406 L HA 0.005 4.360 4.340 0.025 0.000 0.212 406 L C 2.410 179.298 176.870 0.031 0.000 1.103 406 L CA 1.609 56.456 54.840 0.012 0.000 0.769 406 L CB -1.607 40.455 42.059 0.006 0.000 0.908 406 L HN 0.135 nan 8.230 nan 0.000 0.438 407 A N -0.114 122.726 122.820 0.034 0.000 1.908 407 A HA -0.243 4.092 4.320 0.025 0.000 0.218 407 A C 2.392 179.998 177.584 0.038 0.000 1.181 407 A CA 1.788 53.848 52.037 0.039 0.000 0.627 407 A CB -0.296 18.731 19.000 0.045 0.000 0.818 407 A HN 0.252 nan 8.150 nan 0.000 0.445 408 K N -0.133 120.290 120.400 0.039 0.000 2.031 408 K HA 0.096 4.431 4.320 0.025 0.000 0.205 408 K C 1.785 178.401 176.600 0.026 0.000 1.049 408 K CA 1.141 57.445 56.287 0.029 0.000 0.939 408 K CB -0.510 32.009 32.500 0.032 0.000 0.717 408 K HN 0.488 nan 8.250 nan 0.000 0.438 409 L N 0.987 122.250 121.223 0.068 0.000 2.046 409 L HA -0.199 4.157 4.340 0.025 0.000 0.208 409 L C 1.779 178.741 176.870 0.154 0.000 1.077 409 L CA 1.009 55.949 54.840 0.167 0.000 0.747 409 L CB -0.555 41.600 42.059 0.160 0.000 0.896 409 L HN 0.219 nan 8.230 nan 0.000 0.432 410 N N -0.091 118.659 118.700 0.084 0.000 2.120 410 N HA -0.228 4.527 4.740 0.025 0.000 0.188 410 N C 1.907 177.432 175.510 0.026 0.000 1.024 410 N CA 1.138 54.226 53.050 0.064 0.000 0.852 410 N CB -0.251 38.262 38.487 0.044 0.000 1.003 410 N HN 0.295 nan 8.380 nan 0.000 0.424 411 Q N 0.903 120.703 119.800 -0.000 0.000 2.124 411 Q HA 0.053 4.408 4.340 0.025 0.000 0.202 411 Q C 1.986 177.917 176.000 -0.114 0.000 0.977 411 Q CA 1.052 56.835 55.803 -0.033 0.000 0.850 411 Q CB -0.313 28.413 28.738 -0.021 0.000 0.901 411 Q HN 0.377 nan 8.270 nan 0.000 0.429 412 L N -0.442 120.662 121.223 -0.199 0.000 2.131 412 L HA -0.162 4.193 4.340 0.025 0.000 0.210 412 L C 2.225 178.854 176.870 -0.402 0.000 1.092 412 L CA 0.746 55.294 54.840 -0.486 0.000 0.759 412 L CB -0.408 41.067 42.059 -0.974 0.000 0.903 412 L HN 0.290 nan 8.230 nan 0.000 0.435 413 L N -0.621 120.552 121.223 -0.083 0.000 2.046 413 L HA -0.223 4.133 4.340 0.025 0.000 0.208 413 L C 2.854 179.714 176.870 -0.017 0.000 1.077 413 L CA 1.392 56.269 54.840 0.063 0.000 0.747 413 L CB -0.475 41.656 42.059 0.121 0.000 0.896 413 L HN 0.235 nan 8.230 nan 0.000 0.432 414 R N -0.035 120.443 120.500 -0.037 0.000 2.075 414 R HA -0.095 4.260 4.340 0.025 0.000 0.232 414 R C 2.280 178.543 176.300 -0.063 0.000 1.126 414 R CA 1.237 57.320 56.100 -0.028 0.000 0.963 414 R CB -0.408 29.889 30.300 -0.005 0.000 0.858 414 R HN 0.319 nan 8.270 nan 0.000 0.435 415 I N 0.982 121.465 120.570 -0.145 0.000 2.163 415 I HA -0.289 3.896 4.170 0.025 0.000 0.243 415 I C 2.689 178.639 176.117 -0.279 0.000 1.085 415 I CA 1.447 62.571 61.300 -0.293 0.000 1.347 415 I CB -0.349 37.337 38.000 -0.524 0.000 1.044 415 I HN 0.289 nan 8.210 nan 0.000 0.408 416 E N 1.260 121.332 120.200 -0.212 0.000 2.058 416 E HA -0.270 4.095 4.350 0.025 0.000 0.194 416 E C 2.038 178.603 176.600 -0.058 0.000 0.997 416 E CA 1.519 57.850 56.400 -0.116 0.000 0.801 416 E CB 0.008 29.686 29.700 -0.036 0.000 0.746 416 E HN 0.474 nan 8.360 nan 0.000 0.450 417 E N 0.251 120.428 120.200 -0.038 0.000 2.058 417 E HA -0.243 4.122 4.350 0.025 0.000 0.194 417 E C 2.128 178.723 176.600 -0.010 0.000 0.997 417 E CA 1.287 57.680 56.400 -0.012 0.000 0.801 417 E CB -0.098 29.601 29.700 -0.001 0.000 0.746 417 E HN 0.350 nan 8.360 nan 0.000 0.450 418 E N 0.592 120.782 120.200 -0.015 0.000 2.077 418 E HA -0.175 4.190 4.350 0.025 0.000 0.193 418 E C 2.057 178.663 176.600 0.010 0.000 0.989 418 E CA 0.729 57.138 56.400 0.014 0.000 0.800 418 E CB 0.069 29.806 29.700 0.061 0.000 0.746 418 E HN 0.182 nan 8.360 nan 0.000 0.452 419 L N -0.481 120.721 121.223 -0.035 0.000 2.240 419 L HA 0.074 4.430 4.340 0.025 0.000 0.211 419 L C 1.707 178.586 176.870 0.014 0.000 1.106 419 L CA 0.385 55.209 54.840 -0.027 0.000 0.793 419 L CB -0.537 41.456 42.059 -0.110 0.000 0.927 419 L HN 0.410 nan 8.230 nan 0.000 0.446 420 G N 0.737 109.543 108.800 0.009 0.000 2.660 420 G HA2 -0.426 3.549 3.960 0.025 0.000 0.321 420 G HA3 -0.426 3.549 3.960 0.025 0.000 0.321 420 G C 0.524 175.447 174.900 0.037 0.000 1.246 420 G CA 0.631 45.745 45.100 0.023 0.000 1.000 420 G HN 0.308 nan 8.290 nan 0.000 0.550 421 D N 1.183 121.609 120.400 0.043 0.000 2.371 421 D HA 0.013 4.668 4.640 0.025 0.000 0.221 421 D C 1.837 178.178 176.300 0.067 0.000 0.986 421 D CA 0.797 54.827 54.000 0.050 0.000 0.899 421 D CB -0.167 40.658 40.800 0.042 0.000 0.902 421 D HN 0.301 nan 8.370 nan 0.000 0.530 422 N N 0.075 118.827 118.700 0.086 0.000 2.313 422 N HA 0.143 4.898 4.740 0.025 0.000 0.207 422 N C -0.955 174.662 175.510 0.177 0.000 1.141 422 N CA -0.134 52.996 53.050 0.134 0.000 0.830 422 N CB 0.292 38.886 38.487 0.178 0.000 1.008 422 N HN -0.033 nan 8.380 nan 0.000 0.481 423 A N -0.406 122.486 122.820 0.119 0.000 2.435 423 A HA 0.687 5.022 4.320 0.025 0.000 0.304 423 A C -0.860 176.787 177.584 0.106 0.000 1.064 423 A CA -0.662 51.447 52.037 0.121 0.000 0.727 423 A CB 1.366 20.406 19.000 0.066 0.000 1.284 423 A HN 0.114 nan 8.150 nan 0.000 0.415 424 V N -0.879 119.105 119.914 0.116 0.000 2.823 424 V HA 0.838 4.974 4.120 0.025 0.000 0.312 424 V C -0.628 175.581 176.094 0.192 0.000 1.072 424 V CA -0.896 61.484 62.300 0.134 0.000 0.937 424 V CB 1.498 33.377 31.823 0.094 0.000 1.013 424 V HN 1.022 nan 8.190 nan 0.000 0.430 425 F N 3.682 123.673 119.950 0.069 0.000 2.427 425 F HA 0.719 5.261 4.527 0.025 0.000 0.352 425 F C 1.276 177.133 175.800 0.095 0.000 1.100 425 F CA 0.043 58.099 58.000 0.093 0.000 1.191 425 F CB 1.650 40.706 39.000 0.093 0.000 1.128 425 F HN 0.869 nan 8.300 nan 0.000 0.533 426 A N 5.068 127.579 122.820 -0.515 0.000 1.933 426 A HA 0.209 4.544 4.320 0.025 0.000 0.218 426 A C 1.997 179.365 177.584 -0.360 0.000 1.175 426 A CA 1.421 53.257 52.037 -0.335 0.000 0.628 426 A CB -1.581 17.304 19.000 -0.192 0.000 0.814 426 A HN 1.630 nan 8.150 nan 0.000 0.444 427 G N -0.642 107.652 108.800 -0.843 0.000 2.651 427 G HA2 -0.437 3.539 3.960 0.025 0.000 0.315 427 G HA3 -0.437 3.539 3.960 0.025 0.000 0.315 427 G C 0.610 175.528 174.900 0.030 0.000 1.258 427 G CA 1.001 45.931 45.100 -0.284 0.000 1.002 427 G HN 0.463 nan 8.290 nan 0.000 0.551 428 E N 1.324 121.589 120.200 0.109 0.000 2.333 428 E HA 0.009 4.374 4.350 0.025 0.000 0.198 428 E C 1.837 178.520 176.600 0.138 0.000 1.007 428 E CA 1.046 57.557 56.400 0.184 0.000 0.845 428 E CB -0.062 29.705 29.700 0.112 0.000 0.766 428 E HN 0.419 nan 8.360 nan 0.000 0.507 429 N N 0.465 119.201 118.700 0.060 0.000 2.327 429 N HA 0.020 4.775 4.740 0.025 0.000 0.231 429 N C 0.629 176.108 175.510 -0.052 0.000 1.130 429 N CA -0.058 52.977 53.050 -0.027 0.000 0.845 429 N CB 0.037 38.524 38.487 0.000 0.000 1.073 429 N HN 0.288 nan 8.380 nan 0.000 0.496 430 F N 0.485 120.441 119.950 0.009 0.000 2.202 430 F HA -0.182 4.360 4.527 0.025 0.000 0.301 430 F C 2.330 178.182 175.800 0.087 0.000 1.082 430 F CA 1.161 59.185 58.000 0.040 0.000 1.313 430 F CB -0.699 38.366 39.000 0.109 0.000 1.024 430 F HN 0.100 nan 8.300 nan 0.000 0.495 431 H N -0.170 118.389 119.070 -0.852 0.000 2.321 431 H HA -0.086 4.485 4.556 0.026 0.000 0.300 431 H C 0.618 175.753 175.328 -0.321 0.000 1.087 431 H CA 2.263 57.938 56.048 -0.621 0.000 1.319 431 H CB -0.572 28.672 29.762 -0.863 0.000 1.379 431 H HN 0.542 nan 8.280 nan 0.000 0.501 432 H N -0.735 118.227 119.070 -0.180 0.000 2.539 432 H HA 0.229 4.800 4.556 0.025 0.000 0.293 432 H C 1.661 176.914 175.328 -0.125 0.000 1.156 432 H CA -0.003 55.950 56.048 -0.158 0.000 1.012 432 H CB 0.600 30.309 29.762 -0.089 0.000 1.600 432 H HN 0.512 nan 8.280 nan 0.000 0.538 433 G N 0.976 109.775 108.800 -0.001 0.000 2.469 433 G HA2 -0.340 3.635 3.960 0.025 0.000 0.220 433 G HA3 -0.340 3.635 3.960 0.025 0.000 0.220 433 G C 1.614 176.449 174.900 -0.108 0.000 1.136 433 G CA 1.243 46.330 45.100 -0.022 0.000 0.759 433 G HN 0.596 nan 8.290 nan 0.000 0.562 434 D N 0.554 120.803 120.400 -0.252 0.000 2.219 434 D HA -0.086 4.569 4.640 0.025 0.000 0.205 434 D C 1.681 177.793 176.300 -0.313 0.000 0.970 434 D CA 0.759 54.477 54.000 -0.469 0.000 0.851 434 D CB -0.191 39.858 40.800 -1.251 0.000 0.943 434 D HN 0.247 nan 8.370 nan 0.000 0.488 435 K N -0.101 120.175 120.400 -0.207 0.000 2.374 435 K HA 0.122 4.457 4.320 0.025 0.000 0.196 435 K C 0.757 177.298 176.600 -0.099 0.000 1.023 435 K CA -0.665 55.529 56.287 -0.155 0.000 1.103 435 K CB 0.358 32.760 32.500 -0.163 0.000 0.848 435 K HN 0.148 nan 8.250 nan 0.000 0.528 436 L N 1.925 123.101 121.223 -0.078 0.000 2.540 436 L HA -0.034 4.321 4.340 0.025 0.000 0.276 436 L C -0.277 176.565 176.870 -0.047 0.000 1.212 436 L CA 0.294 55.107 54.840 -0.045 0.000 0.893 436 L CB -0.487 41.553 42.059 -0.032 0.000 1.138 436 L HN 0.155 nan 8.230 nan 0.000 0.491 437 L N 4.270 125.475 121.223 -0.031 0.000 3.010 437 L HA 0.029 4.384 4.340 0.025 0.000 0.571 437 L C -0.015 176.830 176.870 -0.042 0.000 1.001 437 L CA 2.175 56.998 54.840 -0.029 0.000 1.301 437 L CB -1.916 40.130 42.059 -0.022 0.000 1.494 437 L HN 1.294 nan 8.230 nan 0.000 0.722 438 H N 0.000 119.048 119.070 -0.036 0.000 2.539 438 H HA 0.000 4.571 4.556 0.025 0.000 0.296 438 H CA 0.000 nan 56.048 nan 0.000 1.023 438 H CB 0.000 nan 29.762 nan 0.000 1.292 438 H HN 0.000 nan 8.280 nan 0.000 0.496