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 1idq_1_A DATA FIRST_RESID 4 DATA SEQUENCE VTPIPLPKID EPEEYNTNYI LFWNHVGLEL NRVTHTVGGP LTGPPLSARA DATA SEQUENCE LGMLHLAIHD AYFSICPPTD FTTFLSPDTE NAAYRLPSPN GANDARQAVA DATA SEQUENCE GAALKMLSSL YMKPVEQPNP NPGANISDNA YAQLGLVLDR SVLEAPGGVD DATA SEQUENCE RESASFMFGE DVADVFFALL NDPRGASQEG YHPTPGRYKF DDEPTHPVVL DATA SEQUENCE IPVDPNNPNG PKMPFRQYHA PFYGKTTKRF ATQSEHFLAD PPGLRSNADE DATA SEQUENCE TAEYDDAVRV AIAMGGAQAL NSTKRSPWQT AQGLYWAYDG SNLIGTPPRF DATA SEQUENCE YNQIVRRIAV TYKKEEDLAN SEVNNADFAR LFALVDVACT DAGIFSWKEK DATA SEQUENCE WEFEFWRPLS GVRDDGRPDH GDPFWLTLGA PATNTNDIPF KPPFPAYPSG DATA SEQUENCE HATFGGAVFQ MVRRYYNGRV GTWKDDEPDN IAIDMMISEE LNGVNRDLRQ DATA SEQUENCE PYDPTAPIED QPGIVRTRIV RHFDSAWELM FENAISRIFL GVHWRFDAAA DATA SEQUENCE ARDILIPTTT KDVYAVDNNG ATVFQNVEDI RYTTRGTRED EEGLFPIGGV DATA SEQUENCE PLGIEIADEI FNNGLKPTPP EIQP 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.094 176.094 -0.000 0.000 1.182 4 V CA 0.000 62.302 62.300 0.003 0.000 1.235 4 V CB 0.000 31.828 31.823 0.009 0.000 1.184 5 T N 6.324 120.875 114.554 -0.006 0.000 2.751 5 T HA 0.278 4.612 4.350 -0.026 0.000 0.290 5 T C -2.448 172.248 174.700 -0.007 0.000 0.919 5 T CA -0.480 61.614 62.100 -0.010 0.000 1.136 5 T CB 0.644 69.500 68.868 -0.019 0.000 0.875 5 T HN 0.358 nan 8.240 nan 0.000 0.532 6 P HA 0.209 nan 4.420 nan 0.000 0.271 6 P C 0.030 177.330 177.300 0.001 0.000 1.216 6 P CA -0.416 62.684 63.100 0.000 0.000 0.771 6 P CB 0.354 32.056 31.700 0.003 0.000 0.864 7 I N 5.720 126.294 120.570 0.007 0.000 2.618 7 I HA 0.062 4.216 4.170 -0.026 0.000 0.284 7 I C -1.789 174.343 176.117 0.024 0.000 1.146 7 I CA -1.577 59.737 61.300 0.024 0.000 1.425 7 I CB 0.221 38.251 38.000 0.049 0.000 1.383 7 I HN 0.193 nan 8.210 nan 0.000 0.562 8 P HA 0.256 nan 4.420 nan 0.000 0.280 8 P C -0.850 176.470 177.300 0.033 0.000 1.300 8 P CA -0.150 62.964 63.100 0.023 0.000 0.785 8 P CB 0.336 32.047 31.700 0.017 0.000 0.874 9 L N 6.135 127.368 121.223 0.016 0.000 2.312 9 L HA 0.427 4.752 4.340 -0.026 0.000 0.281 9 L C -1.468 175.402 176.870 -0.001 0.000 1.070 9 L CA -2.021 52.821 54.840 0.004 0.000 0.805 9 L CB 0.439 42.492 42.059 -0.009 0.000 1.174 9 L HN 0.234 nan 8.230 nan 0.000 0.434 10 P HA 0.059 nan 4.420 nan 0.000 0.272 10 P C -0.780 176.510 177.300 -0.016 0.000 1.230 10 P CA -0.589 62.500 63.100 -0.018 0.000 0.788 10 P CB 0.789 32.468 31.700 -0.036 0.000 0.949 11 K N 2.350 122.741 120.400 -0.014 0.000 2.448 11 K HA 0.116 4.420 4.320 -0.026 0.000 0.278 11 K C -0.246 176.344 176.600 -0.016 0.000 1.009 11 K CA -0.135 56.145 56.287 -0.012 0.000 0.995 11 K CB 0.067 32.558 32.500 -0.016 0.000 0.917 11 K HN 0.407 nan 8.250 nan 0.000 0.481 12 I N 3.317 123.883 120.570 -0.007 0.000 2.428 12 I HA -0.002 4.152 4.170 -0.026 0.000 0.289 12 I C 0.348 176.447 176.117 -0.031 0.000 1.019 12 I CA -0.284 61.013 61.300 -0.006 0.000 1.351 12 I CB 1.006 39.021 38.000 0.026 0.000 1.412 12 I HN 0.468 nan 8.210 nan 0.000 0.513 13 D N 7.478 127.863 120.400 -0.025 0.000 2.435 13 D HA 0.176 4.800 4.640 -0.026 0.000 0.230 13 D C -0.201 176.059 176.300 -0.067 0.000 1.215 13 D CA 0.520 54.499 54.000 -0.034 0.000 0.947 13 D CB 0.426 41.222 40.800 -0.007 0.000 1.048 13 D HN 0.530 nan 8.370 nan 0.000 0.512 14 E N 2.340 122.456 120.200 -0.139 0.000 2.388 14 E HA 0.271 4.605 4.350 -0.026 0.000 0.282 14 E C -2.865 173.508 176.600 -0.379 0.000 1.026 14 E CA -1.642 54.577 56.400 -0.302 0.000 0.820 14 E CB 1.494 30.999 29.700 -0.325 0.000 1.226 14 E HN -0.072 nan 8.360 nan 0.000 0.432 15 P HA -0.005 nan 4.420 nan 0.000 0.264 15 P C 0.150 177.278 177.300 -0.286 0.000 1.193 15 P CA 0.322 63.217 63.100 -0.342 0.000 0.763 15 P CB 0.512 32.057 31.700 -0.259 0.000 0.810 16 E N 3.129 123.255 120.200 -0.124 0.000 2.265 16 E HA -0.243 4.091 4.350 -0.026 0.000 0.196 16 E C 1.017 177.620 176.600 0.004 0.000 0.996 16 E CA 1.004 57.361 56.400 -0.073 0.000 0.832 16 E CB -0.282 29.390 29.700 -0.047 0.000 0.756 16 E HN 0.641 nan 8.360 nan 0.000 0.491 17 E N 0.780 121.019 120.200 0.066 0.000 2.153 17 E HA -0.242 4.093 4.350 -0.026 0.000 0.194 17 E C 1.651 178.392 176.600 0.236 0.000 0.988 17 E CA 0.963 57.448 56.400 0.142 0.000 0.811 17 E CB -0.843 28.954 29.700 0.162 0.000 0.746 17 E HN 0.527 nan 8.360 nan 0.000 0.466 18 Y N 1.653 121.952 120.300 -0.002 0.000 2.102 18 Y HA -0.206 4.328 4.550 -0.026 0.000 0.280 18 Y C 1.915 177.814 175.900 -0.002 0.000 1.178 18 Y CA 0.721 58.815 58.100 -0.010 0.000 1.146 18 Y CB -0.211 38.222 38.460 -0.044 0.000 0.968 18 Y HN 0.116 nan 8.280 nan 0.000 0.504 19 N N -0.220 118.575 118.700 0.159 0.000 2.575 19 N HA -0.075 4.650 4.740 -0.026 0.000 0.192 19 N C 1.445 177.021 175.510 0.111 0.000 1.200 19 N CA 1.263 54.389 53.050 0.127 0.000 0.897 19 N CB -0.368 38.154 38.487 0.059 0.000 0.990 19 N HN 0.461 nan 8.380 nan 0.000 0.449 20 T N -3.456 111.156 114.554 0.097 0.000 3.081 20 T HA 0.011 4.345 4.350 -0.026 0.000 0.255 20 T C 0.693 175.456 174.700 0.105 0.000 1.113 20 T CA -0.153 61.988 62.100 0.067 0.000 1.082 20 T CB 0.219 69.127 68.868 0.066 0.000 0.939 20 T HN 0.009 nan 8.240 nan 0.000 0.506 21 N N 0.830 119.610 118.700 0.133 0.000 2.434 21 N HA 0.083 4.807 4.740 -0.026 0.000 0.272 21 N C 0.720 176.328 175.510 0.163 0.000 1.040 21 N CA -0.524 52.608 53.050 0.135 0.000 0.956 21 N CB 1.135 39.733 38.487 0.185 0.000 1.108 21 N HN 0.455 nan 8.380 nan 0.000 0.481 22 Y N 3.652 124.047 120.300 0.158 0.000 2.421 22 Y HA 0.032 4.567 4.550 -0.026 0.000 0.292 22 Y C 1.563 177.650 175.900 0.311 0.000 1.136 22 Y CA 0.358 58.583 58.100 0.207 0.000 1.255 22 Y CB -0.048 38.554 38.460 0.236 0.000 0.991 22 Y HN 0.370 nan 8.280 nan 0.000 0.552 23 I N 0.840 121.419 120.570 0.016 0.000 2.233 23 I HA -0.186 3.969 4.170 -0.026 0.000 0.243 23 I C 2.334 178.491 176.117 0.066 0.000 1.093 23 I CA 1.060 62.416 61.300 0.094 0.000 1.380 23 I CB -1.088 36.907 38.000 -0.010 0.000 1.067 23 I HN 0.384 nan 8.210 nan 0.000 0.413 24 L N -0.347 120.876 121.223 -0.000 0.000 2.141 24 L HA -0.220 4.105 4.340 -0.026 0.000 0.209 24 L C 2.614 179.473 176.870 -0.018 0.000 1.094 24 L CA 1.136 55.901 54.840 -0.125 0.000 0.763 24 L CB -0.636 41.345 42.059 -0.130 0.000 0.908 24 L HN 0.114 nan 8.230 nan 0.000 0.437 25 F N -0.095 119.816 119.950 -0.065 0.000 2.102 25 F HA -0.233 4.279 4.527 -0.025 0.000 0.298 25 F C 1.969 177.674 175.800 -0.159 0.000 1.105 25 F CA 1.506 59.413 58.000 -0.155 0.000 1.239 25 F CB -0.400 38.415 39.000 -0.309 0.000 0.991 25 F HN -0.017 nan 8.300 nan 0.000 0.474 26 W N 0.244 121.569 121.300 0.042 0.000 2.467 26 W HA -0.105 4.540 4.660 -0.026 0.000 0.275 26 W C 2.357 178.773 176.519 -0.172 0.000 1.239 26 W CA 0.938 58.233 57.345 -0.083 0.000 1.266 26 W CB -0.676 28.812 29.460 0.048 0.000 1.112 26 W HN 0.110 nan 8.180 nan 0.000 0.576 27 N N -0.100 118.619 118.700 0.032 0.000 2.142 27 N HA -0.275 4.450 4.740 -0.026 0.000 0.186 27 N C 1.697 177.193 175.510 -0.023 0.000 1.023 27 N CA 1.994 55.059 53.050 0.027 0.000 0.852 27 N CB -0.496 37.888 38.487 -0.172 0.000 0.998 27 N HN 0.221 nan 8.380 nan 0.000 0.424 28 H N -0.520 118.430 119.070 -0.199 0.000 2.352 28 H HA -0.028 4.512 4.556 -0.026 0.000 0.299 28 H C 1.737 176.908 175.328 -0.262 0.000 1.097 28 H CA 2.046 57.956 56.048 -0.230 0.000 1.311 28 H CB -0.375 29.207 29.762 -0.300 0.000 1.377 28 H HN 0.087 nan 8.280 nan 0.000 0.504 29 V N 0.385 120.005 119.914 -0.490 0.000 2.343 29 V HA -0.198 3.907 4.120 -0.026 0.000 0.247 29 V C 2.755 178.713 176.094 -0.226 0.000 1.051 29 V CA 1.794 63.849 62.300 -0.408 0.000 1.036 29 V CB -1.197 30.500 31.823 -0.210 0.000 0.654 29 V HN 0.757 nan 8.190 nan 0.000 0.451 30 G N -0.095 108.643 108.800 -0.103 0.000 2.418 30 G HA2 -0.188 3.756 3.960 -0.026 0.000 0.217 30 G HA3 -0.188 3.756 3.960 -0.026 0.000 0.217 30 G C 1.535 176.399 174.900 -0.060 0.000 1.158 30 G CA 0.846 45.931 45.100 -0.026 0.000 0.771 30 G HN 0.476 nan 8.290 nan 0.000 0.545 31 L N 0.139 121.305 121.223 -0.095 0.000 2.141 31 L HA 0.000 4.325 4.340 -0.026 0.000 0.209 31 L C 2.841 179.624 176.870 -0.144 0.000 1.094 31 L CA 0.790 55.582 54.840 -0.080 0.000 0.763 31 L CB -0.368 41.667 42.059 -0.039 0.000 0.908 31 L HN 0.157 nan 8.230 nan 0.000 0.437 32 E N 0.566 120.598 120.200 -0.279 0.000 2.072 32 E HA -0.135 4.199 4.350 -0.026 0.000 0.191 32 E C 2.376 178.842 176.600 -0.223 0.000 0.985 32 E CA 1.031 57.265 56.400 -0.277 0.000 0.801 32 E CB -0.157 29.303 29.700 -0.400 0.000 0.750 32 E HN 0.490 nan 8.360 nan 0.000 0.452 33 L N 1.622 122.682 121.223 -0.272 0.000 2.141 33 L HA -0.150 4.174 4.340 -0.026 0.000 0.209 33 L C 2.464 179.168 176.870 -0.277 0.000 1.094 33 L CA 0.825 55.413 54.840 -0.420 0.000 0.763 33 L CB -0.538 41.069 42.059 -0.753 0.000 0.908 33 L HN 0.138 nan 8.230 nan 0.000 0.437 34 N N 1.653 120.297 118.700 -0.094 0.000 2.058 34 N HA -0.240 4.484 4.740 -0.026 0.000 0.191 34 N C 2.056 177.650 175.510 0.140 0.000 1.037 34 N CA 2.059 55.161 53.050 0.086 0.000 0.848 34 N CB -0.002 38.534 38.487 0.082 0.000 1.021 34 N HN 0.419 nan 8.380 nan 0.000 0.422 35 R N 0.154 120.668 120.500 0.023 0.000 2.115 35 R HA 0.021 4.345 4.340 -0.026 0.000 0.230 35 R C 2.202 178.496 176.300 -0.009 0.000 1.111 35 R CA 1.205 57.311 56.100 0.010 0.000 0.976 35 R CB -0.618 29.652 30.300 -0.050 0.000 0.870 35 R HN -0.012 nan 8.270 nan 0.000 0.445 36 V N 2.142 122.018 119.914 -0.063 0.000 2.307 36 V HA -0.230 3.874 4.120 -0.026 0.000 0.245 36 V C 2.486 178.530 176.094 -0.084 0.000 1.045 36 V CA 2.350 64.602 62.300 -0.080 0.000 1.024 36 V CB -0.672 31.080 31.823 -0.118 0.000 0.651 36 V HN 0.663 nan 8.190 nan 0.000 0.449 37 T N -1.755 112.730 114.554 -0.115 0.000 2.833 37 T HA -0.263 4.071 4.350 -0.026 0.000 0.269 37 T C 1.622 176.193 174.700 -0.216 0.000 1.054 37 T CA 1.927 63.934 62.100 -0.156 0.000 1.135 37 T CB -0.574 68.197 68.868 -0.162 0.000 0.869 37 T HN 0.613 nan 8.240 nan 0.000 0.466 38 H N 0.695 119.733 119.070 -0.053 0.000 2.529 38 H HA 0.146 4.687 4.556 -0.026 0.000 0.277 38 H C 2.234 177.511 175.328 -0.085 0.000 0.999 38 H CA 1.370 57.380 56.048 -0.062 0.000 1.256 38 H CB -0.046 29.678 29.762 -0.063 0.000 1.402 38 H HN 0.354 nan 8.280 nan 0.000 0.566 39 T N -0.598 113.952 114.554 -0.007 0.000 3.009 39 T HA -0.044 4.290 4.350 -0.026 0.000 0.258 39 T C 1.999 176.692 174.700 -0.011 0.000 1.063 39 T CA 1.102 63.179 62.100 -0.039 0.000 1.139 39 T CB 0.033 68.873 68.868 -0.046 0.000 0.890 39 T HN 0.360 nan 8.240 nan 0.000 0.471 40 V N -1.363 118.528 119.914 -0.038 0.000 3.660 40 V HA 0.600 4.704 4.120 -0.026 0.000 0.276 40 V C 1.269 177.312 176.094 -0.084 0.000 1.317 40 V CA 0.232 62.503 62.300 -0.048 0.000 1.097 40 V CB -0.740 31.045 31.823 -0.063 0.000 0.863 40 V HN 0.475 nan 8.190 nan 0.000 0.438 41 G N 0.195 108.933 108.800 -0.103 0.000 2.326 41 G HA2 -0.025 3.920 3.960 -0.026 0.000 0.286 41 G HA3 -0.025 3.920 3.960 -0.026 0.000 0.286 41 G C 0.399 175.200 174.900 -0.164 0.000 1.096 41 G CA 0.307 45.335 45.100 -0.121 0.000 1.003 41 G HN 1.248 nan 8.290 nan 0.000 0.503 42 G N -0.008 108.680 108.800 -0.187 0.000 2.641 42 G HA2 0.855 4.799 3.960 -0.026 0.000 0.239 42 G HA3 0.855 4.799 3.960 -0.026 0.000 0.239 42 G C -1.837 172.971 174.900 -0.153 0.000 1.402 42 G CA -0.499 44.468 45.100 -0.221 0.000 1.046 42 G HN 0.375 nan 8.290 nan 0.000 0.565 43 P HA 0.280 nan 4.420 nan 0.000 0.276 43 P C 0.062 177.328 177.300 -0.056 0.000 1.261 43 P CA -0.202 62.871 63.100 -0.045 0.000 0.800 43 P CB 1.074 32.778 31.700 0.007 0.000 1.066 44 L N -2.541 118.628 121.223 -0.090 0.000 3.634 44 L HA -0.182 4.142 4.340 -0.026 0.000 0.423 44 L C 0.585 177.413 176.870 -0.070 0.000 1.253 44 L CA 0.488 55.272 54.840 -0.093 0.000 0.885 44 L CB -2.704 39.254 42.059 -0.168 0.000 1.789 44 L HN 0.559 nan 8.230 nan 0.000 0.904 45 T N -2.173 112.320 114.554 -0.101 0.000 2.902 45 T HA 0.773 5.107 4.350 -0.026 0.000 0.280 45 T C 0.695 175.474 174.700 0.132 0.000 0.992 45 T CA -0.041 61.980 62.100 -0.133 0.000 1.015 45 T CB 2.214 70.949 68.868 -0.223 0.000 1.044 45 T HN 1.285 nan 8.240 nan 0.000 0.520 46 G N 1.706 110.683 108.800 0.294 0.000 2.663 46 G HA2 0.007 3.952 3.960 -0.026 0.000 0.686 46 G HA3 0.007 3.952 3.960 -0.026 0.000 0.686 46 G C -2.552 172.332 174.900 -0.026 0.000 1.246 46 G CA -0.472 44.614 45.100 -0.023 0.000 0.795 46 G HN 0.578 nan 8.290 nan 0.000 0.627 47 P HA 0.003 nan 4.420 nan 0.000 0.213 47 P C -0.649 176.505 177.300 -0.243 0.000 1.170 47 P CA 2.767 65.799 63.100 -0.114 0.000 0.893 47 P CB -0.359 31.413 31.700 0.120 0.000 0.784 48 P HA -0.124 nan 4.420 nan 0.000 0.215 48 P C 1.691 178.713 177.300 -0.465 0.000 1.157 48 P CA 1.565 64.287 63.100 -0.630 0.000 0.863 48 P CB -0.396 30.540 31.700 -1.274 0.000 0.787 49 L N 0.345 121.281 121.223 -0.478 0.000 2.217 49 L HA -0.089 4.235 4.340 -0.026 0.000 0.211 49 L C 2.908 179.687 176.870 -0.153 0.000 1.107 49 L CA 1.714 56.365 54.840 -0.315 0.000 0.783 49 L CB -0.901 40.989 42.059 -0.281 0.000 0.919 49 L HN 0.120 nan 8.230 nan 0.000 0.442 50 S N -0.192 115.444 115.700 -0.106 0.000 2.428 50 S HA -0.083 4.371 4.470 -0.026 0.000 0.230 50 S C 2.086 176.638 174.600 -0.080 0.000 1.014 50 S CA 0.698 58.883 58.200 -0.024 0.000 0.957 50 S CB -0.163 63.082 63.200 0.076 0.000 0.784 50 S HN 0.325 nan 8.310 nan 0.000 0.499 51 A N 2.165 124.886 122.820 -0.164 0.000 1.929 51 A HA 0.122 4.426 4.320 -0.026 0.000 0.216 51 A C 2.317 179.818 177.584 -0.139 0.000 1.176 51 A CA 1.067 52.992 52.037 -0.186 0.000 0.628 51 A CB -0.687 18.174 19.000 -0.231 0.000 0.816 51 A HN 0.530 nan 8.150 nan 0.000 0.444 52 R N -0.263 120.150 120.500 -0.146 0.000 2.105 52 R HA -0.134 4.190 4.340 -0.026 0.000 0.239 52 R C 2.278 178.577 176.300 -0.002 0.000 1.135 52 R CA 1.351 57.365 56.100 -0.142 0.000 0.967 52 R CB -0.363 29.894 30.300 -0.071 0.000 0.861 52 R HN 0.461 nan 8.270 nan 0.000 0.442 53 A N 0.949 123.769 122.820 0.001 0.000 1.908 53 A HA -0.152 4.153 4.320 -0.026 0.000 0.218 53 A C 2.157 179.790 177.584 0.081 0.000 1.181 53 A CA 1.254 53.316 52.037 0.043 0.000 0.627 53 A CB -0.487 18.537 19.000 0.039 0.000 0.818 53 A HN 0.331 nan 8.150 nan 0.000 0.445 54 L N -0.986 120.281 121.223 0.074 0.000 2.156 54 L HA -0.034 4.290 4.340 -0.026 0.000 0.208 54 L C 2.793 179.758 176.870 0.157 0.000 1.095 54 L CA 0.803 55.720 54.840 0.129 0.000 0.770 54 L CB -0.680 41.449 42.059 0.117 0.000 0.914 54 L HN 0.489 nan 8.230 nan 0.000 0.439 55 G N -0.121 108.733 108.800 0.090 0.000 2.418 55 G HA2 -0.238 3.706 3.960 -0.026 0.000 0.217 55 G HA3 -0.238 3.706 3.960 -0.026 0.000 0.217 55 G C 1.633 176.659 174.900 0.210 0.000 1.158 55 G CA 0.550 45.732 45.100 0.137 0.000 0.771 55 G HN 0.184 nan 8.290 nan 0.000 0.545 56 M N -0.371 119.365 119.600 0.226 0.000 2.132 56 M HA 0.076 4.541 4.480 -0.026 0.000 0.263 56 M C 2.410 178.667 176.300 -0.071 0.000 1.065 56 M CA 0.831 56.184 55.300 0.087 0.000 1.122 56 M CB -0.328 32.365 32.600 0.155 0.000 1.365 56 M HN 0.261 nan 8.290 nan 0.000 0.411 57 L N -0.064 121.142 121.223 -0.029 0.000 2.012 57 L HA -0.229 4.096 4.340 -0.026 0.000 0.210 57 L C 2.403 179.123 176.870 -0.251 0.000 1.073 57 L CA 2.027 56.784 54.840 -0.138 0.000 0.748 57 L CB -0.887 41.096 42.059 -0.126 0.000 0.891 57 L HN 0.316 nan 8.230 nan 0.000 0.431 58 H N -1.387 117.657 119.070 -0.043 0.000 2.529 58 H HA 0.004 4.545 4.556 -0.026 0.000 0.277 58 H C 2.041 177.306 175.328 -0.106 0.000 0.999 58 H CA 0.990 57.027 56.048 -0.019 0.000 1.256 58 H CB 0.382 30.184 29.762 0.067 0.000 1.402 58 H HN 0.262 nan 8.280 nan 0.000 0.566 59 L N 0.577 121.648 121.223 -0.253 0.000 2.068 59 L HA 0.019 4.344 4.340 -0.026 0.000 0.204 59 L C 2.661 179.100 176.870 -0.719 0.000 1.076 59 L CA 1.471 55.949 54.840 -0.604 0.000 0.753 59 L CB -1.145 40.270 42.059 -1.074 0.000 0.910 59 L HN 0.118 nan 8.230 nan 0.000 0.439 60 A N -0.335 122.028 122.820 -0.761 0.000 1.883 60 A HA -0.214 4.090 4.320 -0.026 0.000 0.217 60 A C 2.324 179.829 177.584 -0.130 0.000 1.186 60 A CA 1.963 53.745 52.037 -0.426 0.000 0.624 60 A CB -0.751 18.098 19.000 -0.252 0.000 0.822 60 A HN 0.387 nan 8.150 nan 0.000 0.444 61 I N -1.315 119.192 120.570 -0.105 0.000 2.208 61 I HA -0.290 3.865 4.170 -0.026 0.000 0.245 61 I C 2.634 178.851 176.117 0.166 0.000 1.097 61 I CA 1.728 63.032 61.300 0.007 0.000 1.363 61 I CB -0.541 37.447 38.000 -0.020 0.000 1.051 61 I HN 0.561 nan 8.210 nan 0.000 0.413 62 H N 1.236 120.386 119.070 0.133 0.000 2.290 62 H HA -0.209 4.332 4.556 -0.026 0.000 0.298 62 H C 1.544 177.154 175.328 0.471 0.000 1.087 62 H CA 2.231 58.488 56.048 0.350 0.000 1.291 62 H CB -0.015 29.930 29.762 0.305 0.000 1.369 62 H HN 0.274 nan 8.280 nan 0.000 0.492 63 D N 0.163 120.857 120.400 0.491 0.000 2.269 63 D HA -0.012 4.613 4.640 -0.026 0.000 0.208 63 D C 2.122 178.635 176.300 0.356 0.000 0.963 63 D CA 0.935 55.234 54.000 0.498 0.000 0.864 63 D CB -0.231 40.954 40.800 0.642 0.000 0.936 63 D HN 0.472 nan 8.370 nan 0.000 0.505 64 A N -0.110 122.851 122.820 0.234 0.000 1.854 64 A HA -0.161 4.144 4.320 -0.026 0.000 0.214 64 A C 2.154 179.900 177.584 0.271 0.000 1.192 64 A CA 0.928 53.080 52.037 0.190 0.000 0.611 64 A CB -1.052 17.962 19.000 0.023 0.000 0.832 64 A HN 0.297 nan 8.150 nan 0.000 0.442 65 Y N -0.337 119.995 120.300 0.054 0.000 2.097 65 Y HA -0.236 4.299 4.550 -0.026 0.000 0.282 65 Y C 1.869 177.676 175.900 -0.155 0.000 1.152 65 Y CA 2.166 60.204 58.100 -0.102 0.000 1.136 65 Y CB -0.463 37.801 38.460 -0.326 0.000 0.975 65 Y HN 0.279 nan 8.280 nan 0.000 0.498 66 F N -1.001 119.053 119.950 0.175 0.000 2.604 66 F HA -0.103 4.408 4.527 -0.026 0.000 0.298 66 F C 2.413 178.242 175.800 0.048 0.000 1.131 66 F CA 0.875 58.919 58.000 0.073 0.000 1.457 66 F CB -0.203 38.848 39.000 0.085 0.000 1.095 66 F HN -0.026 nan 8.300 nan 0.000 0.574 67 S N 0.127 115.972 115.700 0.242 0.000 2.414 67 S HA 0.003 4.458 4.470 -0.026 0.000 0.227 67 S C 2.008 176.624 174.600 0.027 0.000 1.022 67 S CA 0.730 59.054 58.200 0.206 0.000 0.958 67 S CB -0.057 63.398 63.200 0.425 0.000 0.797 67 S HN 0.301 nan 8.310 nan 0.000 0.493 68 I N 0.043 120.589 120.570 -0.040 0.000 2.494 68 I HA 0.012 4.166 4.170 -0.026 0.000 0.250 68 I C 0.134 176.145 176.117 -0.176 0.000 1.112 68 I CA 0.594 61.806 61.300 -0.147 0.000 1.438 68 I CB 0.173 38.084 38.000 -0.148 0.000 1.111 68 I HN 0.194 nan 8.210 nan 0.000 0.431 69 C N 2.650 121.784 119.300 -0.276 0.000 2.376 69 C HA 0.376 4.820 4.460 -0.026 0.000 0.341 69 C C -2.196 172.790 174.990 -0.006 0.000 1.106 69 C CA -1.539 57.343 59.018 -0.228 0.000 1.631 69 C CB -0.927 26.514 27.740 -0.499 0.000 1.649 69 C HN 0.098 nan 8.230 nan 0.000 0.456 70 P HA 0.062 nan 4.420 nan 0.000 0.261 70 P C -1.997 175.334 177.300 0.052 0.000 1.173 70 P CA 0.092 63.231 63.100 0.065 0.000 0.760 70 P CB 0.174 31.880 31.700 0.008 0.000 0.783 71 P HA 0.245 nan 4.420 nan 0.000 0.280 71 P C -0.145 176.951 177.300 -0.340 0.000 1.272 71 P CA -0.258 62.653 63.100 -0.315 0.000 0.819 71 P CB 1.347 32.424 31.700 -1.038 0.000 1.122 72 T N -1.422 112.926 114.554 -0.343 0.000 2.999 72 T HA -0.004 4.331 4.350 -0.026 0.000 0.247 72 T C 1.197 175.761 174.700 -0.227 0.000 1.012 72 T CA 0.744 62.714 62.100 -0.216 0.000 1.048 72 T CB -0.311 68.491 68.868 -0.110 0.000 1.020 72 T HN 0.431 nan 8.240 nan 0.000 0.478 73 D N 0.715 120.932 120.400 -0.305 0.000 2.289 73 D HA 0.138 4.763 4.640 -0.026 0.000 0.207 73 D C 0.247 176.537 176.300 -0.017 0.000 0.966 73 D CA 0.486 54.425 54.000 -0.101 0.000 0.868 73 D CB 0.253 41.103 40.800 0.084 0.000 0.943 73 D HN 0.478 nan 8.370 nan 0.000 0.514 74 F N -2.901 117.009 119.950 -0.066 0.000 3.016 74 F HA 0.641 5.153 4.527 -0.026 0.000 0.324 74 F C -0.390 175.382 175.800 -0.047 0.000 1.196 74 F CA -1.096 56.868 58.000 -0.060 0.000 0.929 74 F CB 0.681 39.639 39.000 -0.071 0.000 1.440 74 F HN -0.386 nan 8.300 nan 0.000 0.505 75 T N -0.980 113.726 114.554 0.253 0.000 2.773 75 T HA 0.559 4.893 4.350 -0.026 0.000 0.278 75 T C -0.476 174.455 174.700 0.384 0.000 1.011 75 T CA -0.452 61.753 62.100 0.175 0.000 1.014 75 T CB 1.261 70.206 68.868 0.127 0.000 1.293 75 T HN 0.886 nan 8.240 nan 0.000 0.554 76 T N -0.400 114.355 114.554 0.336 0.000 2.860 76 T HA 0.263 4.597 4.350 -0.026 0.000 0.299 76 T C 0.820 175.814 174.700 0.489 0.000 1.045 76 T CA -0.603 61.791 62.100 0.490 0.000 1.071 76 T CB 0.139 69.249 68.868 0.403 0.000 0.985 76 T HN 0.430 nan 8.240 nan 0.000 0.537 77 F N 1.229 121.431 119.950 0.420 0.000 2.102 77 F HA 0.197 4.708 4.527 -0.026 0.000 0.298 77 F C 0.791 176.736 175.800 0.242 0.000 1.105 77 F CA 1.096 59.269 58.000 0.289 0.000 1.239 77 F CB -0.158 39.036 39.000 0.323 0.000 0.991 77 F HN 0.413 nan 8.300 nan 0.000 0.474 78 L N -0.242 121.183 121.223 0.335 0.000 2.416 78 L HA 0.380 4.705 4.340 -0.026 0.000 0.263 78 L C 0.060 177.002 176.870 0.120 0.000 1.065 78 L CA -0.761 54.140 54.840 0.103 0.000 0.798 78 L CB 1.450 43.525 42.059 0.025 0.000 1.267 78 L HN 0.034 nan 8.230 nan 0.000 0.467 79 S N -1.505 114.234 115.700 0.066 0.000 2.568 79 S HA 0.502 4.956 4.470 -0.026 0.000 0.293 79 S C -2.481 172.157 174.600 0.062 0.000 1.089 79 S CA -1.310 56.932 58.200 0.070 0.000 0.945 79 S CB 2.112 65.334 63.200 0.037 0.000 1.077 79 S HN 0.305 nan 8.310 nan 0.000 0.485 80 P HA 0.170 nan 4.420 nan 0.000 0.231 80 P C -0.096 177.229 177.300 0.041 0.000 1.168 80 P CA 0.704 63.843 63.100 0.065 0.000 0.779 80 P CB 0.024 31.768 31.700 0.074 0.000 0.844 81 D N -1.736 118.682 120.400 0.031 0.000 2.402 81 D HA 0.043 4.667 4.640 -0.026 0.000 0.216 81 D C 0.253 176.558 176.300 0.009 0.000 1.128 81 D CA 0.401 54.412 54.000 0.018 0.000 0.833 81 D CB -0.313 40.495 40.800 0.013 0.000 0.971 81 D HN 0.153 nan 8.370 nan 0.000 0.503 82 T N -1.335 113.226 114.554 0.011 0.000 2.900 82 T HA 0.364 4.699 4.350 -0.026 0.000 0.307 82 T C 1.485 176.187 174.700 0.003 0.000 1.065 82 T CA 0.001 62.100 62.100 -0.001 0.000 1.105 82 T CB 1.296 70.167 68.868 0.005 0.000 0.979 82 T HN 0.182 nan 8.240 nan 0.000 0.544 83 E N 1.271 121.465 120.200 -0.009 0.000 2.112 83 E HA -0.063 4.271 4.350 -0.026 0.000 0.190 83 E C 1.113 177.717 176.600 0.008 0.000 0.979 83 E CA 0.476 56.874 56.400 -0.004 0.000 0.814 83 E CB -0.338 29.354 29.700 -0.014 0.000 0.762 83 E HN 0.686 nan 8.360 nan 0.000 0.460 84 N N 0.661 119.368 118.700 0.012 0.000 2.438 84 N HA 0.261 4.985 4.740 -0.026 0.000 0.267 84 N C 1.009 176.564 175.510 0.076 0.000 1.222 84 N CA 0.516 53.597 53.050 0.052 0.000 0.930 84 N CB 1.231 39.765 38.487 0.079 0.000 1.083 84 N HN 0.273 nan 8.380 nan 0.000 0.476 85 A N 4.253 127.101 122.820 0.047 0.000 2.024 85 A HA -0.108 4.197 4.320 -0.026 0.000 0.220 85 A C 2.050 179.636 177.584 0.003 0.000 1.164 85 A CA 1.800 53.850 52.037 0.022 0.000 0.643 85 A CB -0.599 18.406 19.000 0.008 0.000 0.806 85 A HN 0.766 nan 8.150 nan 0.000 0.451 86 A N -1.816 121.016 122.820 0.021 0.000 1.969 86 A HA 0.005 4.309 4.320 -0.026 0.000 0.218 86 A C 1.569 179.005 177.584 -0.246 0.000 1.169 86 A CA 1.223 53.200 52.037 -0.099 0.000 0.635 86 A CB -0.511 18.435 19.000 -0.090 0.000 0.810 86 A HN 0.582 nan 8.150 nan 0.000 0.445 87 Y N -0.971 119.264 120.300 -0.107 0.000 2.607 87 Y HA 0.304 4.838 4.550 -0.026 0.000 0.266 87 Y C 0.819 176.642 175.900 -0.128 0.000 1.178 87 Y CA -0.381 57.634 58.100 -0.141 0.000 1.226 87 Y CB 0.112 38.495 38.460 -0.128 0.000 1.144 87 Y HN 0.150 nan 8.280 nan 0.000 0.528 88 R N 1.486 121.987 120.500 0.002 0.000 2.202 88 R HA 0.300 4.624 4.340 -0.026 0.000 0.334 88 R C -0.950 175.331 176.300 -0.032 0.000 1.036 88 R CA -0.739 55.361 56.100 -0.000 0.000 0.878 88 R CB 0.343 30.649 30.300 0.010 0.000 1.067 88 R HN 0.136 nan 8.270 nan 0.000 0.457 89 L N 7.523 128.747 121.223 0.002 0.000 2.367 89 L HA 0.349 4.674 4.340 -0.026 0.000 0.275 89 L C -2.188 174.732 176.870 0.084 0.000 1.129 89 L CA -1.728 53.130 54.840 0.031 0.000 0.839 89 L CB 0.840 42.963 42.059 0.105 0.000 1.133 89 L HN 0.578 nan 8.230 nan 0.000 0.453 90 P HA 0.155 nan 4.420 nan 0.000 0.269 90 P C -1.100 176.399 177.300 0.331 0.000 1.215 90 P CA -0.121 63.083 63.100 0.174 0.000 0.780 90 P CB 0.680 32.461 31.700 0.134 0.000 0.898 91 S N 2.559 118.403 115.700 0.241 0.000 2.525 91 S HA 0.321 4.776 4.470 -0.026 0.000 0.290 91 S C -1.513 173.091 174.600 0.007 0.000 1.152 91 S CA -1.026 57.257 58.200 0.139 0.000 1.072 91 S CB 0.831 64.063 63.200 0.054 0.000 1.027 91 S HN 0.349 nan 8.310 nan 0.000 0.500 92 P HA 0.009 nan 4.420 nan 0.000 0.215 92 P C -0.375 176.744 177.300 -0.303 0.000 1.157 92 P CA 0.624 63.299 63.100 -0.709 0.000 0.863 92 P CB -0.059 31.228 31.700 -0.688 0.000 0.787 93 N N -1.107 117.492 118.700 -0.169 0.000 2.688 93 N HA -0.159 4.565 4.740 -0.026 0.000 0.258 93 N C 1.000 176.455 175.510 -0.091 0.000 1.016 93 N CA 1.434 54.429 53.050 -0.091 0.000 0.747 93 N CB -1.739 36.722 38.487 -0.044 0.000 0.895 93 N HN 0.411 nan 8.380 nan 0.000 0.543 94 G N -2.047 106.688 108.800 -0.109 0.000 2.284 94 G HA2 -0.167 3.778 3.960 -0.026 0.000 0.230 94 G HA3 -0.167 3.778 3.960 -0.026 0.000 0.230 94 G C 0.337 175.178 174.900 -0.100 0.000 1.021 94 G CA 0.410 45.459 45.100 -0.085 0.000 0.619 94 G HN 1.379 nan 8.290 nan 0.000 0.510 95 A N 0.787 123.522 122.820 -0.142 0.000 2.522 95 A HA 0.543 4.848 4.320 -0.026 0.000 0.256 95 A C 0.748 178.240 177.584 -0.155 0.000 1.086 95 A CA 1.331 53.290 52.037 -0.130 0.000 0.763 95 A CB -0.304 18.599 19.000 -0.162 0.000 1.024 95 A HN 1.608 nan 8.150 nan 0.000 0.502 96 N N 0.642 119.290 118.700 -0.085 0.000 2.390 96 N HA 0.137 4.861 4.740 -0.026 0.000 0.259 96 N C -1.125 174.357 175.510 -0.046 0.000 1.395 96 N CA -0.391 52.610 53.050 -0.083 0.000 0.852 96 N CB 0.731 39.173 38.487 -0.075 0.000 1.371 96 N HN 0.385 nan 8.380 nan 0.000 0.491 97 D N 0.635 121.024 120.400 -0.018 0.000 2.472 97 D HA 0.413 5.037 4.640 -0.026 0.000 0.234 97 D C 0.905 177.213 176.300 0.013 0.000 1.088 97 D CA -0.530 53.469 54.000 -0.000 0.000 0.882 97 D CB 1.398 42.206 40.800 0.014 0.000 1.037 97 D HN 0.294 nan 8.370 nan 0.000 0.520 98 A N 4.642 127.464 122.820 0.003 0.000 1.972 98 A HA -0.177 4.127 4.320 -0.026 0.000 0.219 98 A C 2.101 179.731 177.584 0.076 0.000 1.169 98 A CA 1.261 53.327 52.037 0.047 0.000 0.635 98 A CB -0.275 18.712 19.000 -0.020 0.000 0.810 98 A HN 0.602 nan 8.150 nan 0.000 0.446 99 R N -0.948 119.476 120.500 -0.126 0.000 2.073 99 R HA -0.164 4.160 4.340 -0.026 0.000 0.234 99 R C 2.085 178.268 176.300 -0.196 0.000 1.134 99 R CA 1.691 57.442 56.100 -0.582 0.000 0.952 99 R CB -0.210 29.740 30.300 -0.584 0.000 0.850 99 R HN 0.455 nan 8.270 nan 0.000 0.433 100 Q N -0.203 119.579 119.800 -0.030 0.000 2.187 100 Q HA 0.007 4.331 4.340 -0.026 0.000 0.199 100 Q C 1.973 178.027 176.000 0.091 0.000 0.957 100 Q CA 1.368 57.236 55.803 0.107 0.000 0.857 100 Q CB -0.079 28.750 28.738 0.152 0.000 0.929 100 Q HN 0.440 nan 8.270 nan 0.000 0.453 101 A N 0.287 123.155 122.820 0.080 0.000 1.898 101 A HA -0.097 4.208 4.320 -0.026 0.000 0.216 101 A C 2.401 179.962 177.584 -0.038 0.000 1.181 101 A CA 1.314 53.402 52.037 0.085 0.000 0.620 101 A CB -0.578 18.576 19.000 0.257 0.000 0.819 101 A HN 0.193 nan 8.150 nan 0.000 0.442 102 V N -0.192 119.743 119.914 0.034 0.000 2.427 102 V HA -0.212 3.892 4.120 -0.026 0.000 0.248 102 V C 3.028 178.961 176.094 -0.269 0.000 1.051 102 V CA 1.775 64.081 62.300 0.009 0.000 1.048 102 V CB -1.017 30.993 31.823 0.312 0.000 0.666 102 V HN 0.612 nan 8.190 nan 0.000 0.456 103 A N 0.406 123.108 122.820 -0.198 0.000 1.902 103 A HA -0.094 4.210 4.320 -0.026 0.000 0.217 103 A C 2.408 179.618 177.584 -0.624 0.000 1.181 103 A CA 1.951 53.774 52.037 -0.357 0.000 0.623 103 A CB -1.160 17.970 19.000 0.217 0.000 0.818 103 A HN 0.519 nan 8.150 nan 0.000 0.443 104 G N -0.631 107.698 108.800 -0.784 0.000 2.402 104 G HA2 0.041 3.985 3.960 -0.026 0.000 0.216 104 G HA3 0.041 3.985 3.960 -0.026 0.000 0.216 104 G C 1.749 176.203 174.900 -0.744 0.000 1.162 104 G CA 1.420 45.703 45.100 -1.361 0.000 0.777 104 G HN 0.771 nan 8.290 nan 0.000 0.539 105 A N 1.260 123.764 122.820 -0.526 0.000 1.877 105 A HA 0.267 4.572 4.320 -0.026 0.000 0.216 105 A C 2.839 180.189 177.584 -0.390 0.000 1.186 105 A CA 2.364 54.174 52.037 -0.377 0.000 0.620 105 A CB -0.916 17.925 19.000 -0.265 0.000 0.822 105 A HN 0.773 nan 8.150 nan 0.000 0.443 106 A N -0.393 122.105 122.820 -0.536 0.000 1.877 106 A HA -0.062 4.242 4.320 -0.026 0.000 0.216 106 A C 2.224 179.517 177.584 -0.486 0.000 1.186 106 A CA 1.547 53.244 52.037 -0.567 0.000 0.620 106 A CB -0.681 17.743 19.000 -0.960 0.000 0.822 106 A HN 0.464 nan 8.150 nan 0.000 0.443 107 L N -1.007 119.846 121.223 -0.617 0.000 2.046 107 L HA -0.179 4.146 4.340 -0.026 0.000 0.208 107 L C 2.733 179.492 176.870 -0.185 0.000 1.077 107 L CA 1.449 56.106 54.840 -0.304 0.000 0.747 107 L CB -0.336 41.619 42.059 -0.174 0.000 0.896 107 L HN 0.294 nan 8.230 nan 0.000 0.432 108 K N -0.305 119.944 120.400 -0.251 0.000 2.025 108 K HA -0.187 4.118 4.320 -0.026 0.000 0.207 108 K C 2.067 178.552 176.600 -0.191 0.000 1.049 108 K CA 1.516 57.684 56.287 -0.199 0.000 0.933 108 K CB -0.257 32.108 32.500 -0.225 0.000 0.714 108 K HN 0.091 nan 8.250 nan 0.000 0.438 109 M N 1.123 120.622 119.600 -0.168 0.000 2.065 109 M HA -0.125 4.340 4.480 -0.026 0.000 0.259 109 M C 1.932 178.196 176.300 -0.060 0.000 1.069 109 M CA 1.541 56.782 55.300 -0.099 0.000 1.110 109 M CB -0.542 32.020 32.600 -0.064 0.000 1.328 109 M HN 0.092 nan 8.290 nan 0.000 0.405 110 L N -1.007 120.206 121.223 -0.017 0.000 2.131 110 L HA -0.190 4.135 4.340 -0.026 0.000 0.210 110 L C 2.282 179.230 176.870 0.131 0.000 1.092 110 L CA 1.226 56.140 54.840 0.123 0.000 0.759 110 L CB -0.850 41.290 42.059 0.135 0.000 0.903 110 L HN 0.316 nan 8.230 nan 0.000 0.435 111 S N -0.805 114.902 115.700 0.011 0.000 2.368 111 S HA -0.131 4.323 4.470 -0.026 0.000 0.224 111 S C 2.209 176.749 174.600 -0.099 0.000 1.029 111 S CA 1.352 59.549 58.200 -0.006 0.000 0.988 111 S CB -0.054 63.124 63.200 -0.036 0.000 0.838 111 S HN 0.340 nan 8.310 nan 0.000 0.462 112 S N 1.785 117.320 115.700 -0.276 0.000 2.382 112 S HA 0.067 4.521 4.470 -0.026 0.000 0.228 112 S C 1.785 176.161 174.600 -0.374 0.000 1.027 112 S CA 0.857 58.700 58.200 -0.596 0.000 0.991 112 S CB -0.359 62.021 63.200 -1.367 0.000 0.823 112 S HN 0.353 nan 8.310 nan 0.000 0.469 113 L N -0.855 120.271 121.223 -0.161 0.000 2.072 113 L HA -0.027 4.297 4.340 -0.026 0.000 0.205 113 L C 1.548 178.257 176.870 -0.269 0.000 1.079 113 L CA 1.274 56.046 54.840 -0.114 0.000 0.752 113 L CB -0.335 41.592 42.059 -0.222 0.000 0.906 113 L HN 0.347 nan 8.230 nan 0.000 0.436 114 Y N -0.702 119.633 120.300 0.058 0.000 2.458 114 Y HA 0.203 4.737 4.550 -0.026 0.000 0.256 114 Y C 1.060 177.052 175.900 0.154 0.000 1.159 114 Y CA -0.705 57.456 58.100 0.100 0.000 1.261 114 Y CB 0.030 38.529 38.460 0.065 0.000 1.119 114 Y HN 0.124 nan 8.280 nan 0.000 0.524 115 M N -0.284 119.412 119.600 0.159 0.000 2.255 115 M HA 0.283 4.747 4.480 -0.026 0.000 0.336 115 M C -0.027 176.191 176.300 -0.137 0.000 1.135 115 M CA -0.535 54.789 55.300 0.040 0.000 1.145 115 M CB 0.948 33.522 32.600 -0.044 0.000 1.473 115 M HN -0.117 nan 8.290 nan 0.000 0.462 116 K N 2.201 122.297 120.400 -0.507 0.000 2.416 116 K HA 0.240 4.545 4.320 -0.026 0.000 0.283 116 K C -2.277 174.086 176.600 -0.394 0.000 1.037 116 K CA -1.384 54.292 56.287 -1.018 0.000 0.995 116 K CB 0.145 32.058 32.500 -0.979 0.000 0.938 116 K HN 0.409 nan 8.250 nan 0.000 0.475 117 P HA -0.060 nan 4.420 nan 0.000 0.257 117 P C 0.013 177.257 177.300 -0.093 0.000 1.269 117 P CA 0.005 63.046 63.100 -0.098 0.000 1.122 117 P CB 0.470 32.154 31.700 -0.026 0.000 1.285 118 V N 2.016 121.878 119.914 -0.087 0.000 2.951 118 V HA -0.107 3.998 4.120 -0.026 0.000 0.255 118 V C 2.120 178.193 176.094 -0.035 0.000 1.088 118 V CA 1.933 64.194 62.300 -0.066 0.000 1.109 118 V CB -1.346 30.438 31.823 -0.064 0.000 0.724 118 V HN 0.453 nan 8.190 nan 0.000 0.471 119 E N -0.233 119.954 120.200 -0.022 0.000 2.379 119 E HA 0.331 4.666 4.350 -0.026 0.000 0.209 119 E C 1.465 178.067 176.600 0.003 0.000 1.284 119 E CA 1.639 58.037 56.400 -0.002 0.000 1.333 119 E CB -1.159 28.551 29.700 0.017 0.000 1.307 119 E HN 0.881 nan 8.360 nan 0.000 0.441 120 Q N -2.413 117.384 119.800 -0.005 0.000 2.384 120 Q HA -0.258 4.066 4.340 -0.026 0.000 0.179 120 Q C 0.629 176.633 176.000 0.006 0.000 2.853 120 Q CA 2.467 58.269 55.803 -0.000 0.000 0.358 120 Q CB -3.213 25.527 28.738 0.003 0.000 0.345 120 Q HN 1.695 nan 8.270 nan 0.000 0.478 121 P HA 0.578 nan 4.420 nan 0.000 0.258 121 P C 0.323 177.639 177.300 0.025 0.000 1.563 121 P CA 1.750 64.862 63.100 0.021 0.000 1.241 121 P CB -1.621 30.096 31.700 0.028 0.000 1.811 122 N N 1.208 119.922 118.700 0.023 0.000 2.474 122 N HA 0.466 5.190 4.740 -0.026 0.000 0.224 122 N C -0.500 175.032 175.510 0.037 0.000 1.092 122 N CA 0.901 53.970 53.050 0.032 0.000 0.844 122 N CB -0.357 38.142 38.487 0.019 0.000 1.381 122 N HN 0.625 nan 8.380 nan 0.000 0.458 123 P HA 0.376 nan 4.420 nan 0.000 0.265 123 P C 0.946 178.264 177.300 0.030 0.000 1.193 123 P CA 2.023 65.139 63.100 0.027 0.000 0.765 123 P CB -0.629 31.084 31.700 0.022 0.000 0.823 124 N N 0.135 118.854 118.700 0.032 0.000 2.356 124 N HA -0.312 4.412 4.740 -0.026 0.000 0.217 124 N C 0.766 176.299 175.510 0.039 0.000 0.296 124 N CA 2.713 55.785 53.050 0.037 0.000 4.166 124 N CB -2.917 35.594 38.487 0.039 0.000 0.821 124 N HN 0.769 nan 8.380 nan 0.000 0.229 125 P HA 0.358 nan 4.420 nan 0.000 0.216 125 P C 1.379 178.704 177.300 0.042 0.000 1.150 125 P CA 3.478 66.601 63.100 0.038 0.000 0.837 125 P CB -0.504 31.218 31.700 0.037 0.000 0.786 126 G N -2.921 105.910 108.800 0.052 0.000 4.750 126 G HA2 0.420 4.365 3.960 -0.026 0.000 0.266 126 G HA3 0.420 4.365 3.960 -0.026 0.000 0.266 126 G C 0.412 175.352 174.900 0.068 0.000 1.000 126 G CA 0.890 46.031 45.100 0.068 0.000 0.776 126 G HN 0.568 nan 8.290 nan 0.000 0.357 127 A N 0.220 123.066 122.820 0.043 0.000 3.051 127 A HA 0.554 4.858 4.320 -0.026 0.000 0.257 127 A C 1.070 178.657 177.584 0.005 0.000 1.785 127 A CA 0.869 52.926 52.037 0.033 0.000 1.420 127 A CB -1.290 17.725 19.000 0.026 0.000 1.063 127 A HN 1.196 nan 8.150 nan 0.000 0.630 128 N N 0.337 119.036 118.700 -0.002 0.000 2.174 128 N HA 0.268 4.993 4.740 -0.026 0.000 0.225 128 N C -0.496 174.980 175.510 -0.057 0.000 1.409 128 N CA -0.142 52.880 53.050 -0.046 0.000 0.934 128 N CB -0.642 37.792 38.487 -0.088 0.000 1.228 128 N HN 0.384 nan 8.380 nan 0.000 0.552 129 I N 2.319 122.870 120.570 -0.032 0.000 2.406 129 I HA 0.451 4.605 4.170 -0.026 0.000 0.290 129 I C 0.804 176.885 176.117 -0.060 0.000 0.999 129 I CA -0.968 60.266 61.300 -0.111 0.000 1.124 129 I CB 1.997 39.863 38.000 -0.223 0.000 1.289 129 I HN 0.405 nan 8.210 nan 0.000 0.441 130 S N 3.200 118.848 115.700 -0.086 0.000 2.589 130 S HA 0.119 4.574 4.470 -0.026 0.000 0.265 130 S C 0.606 175.225 174.600 0.031 0.000 1.342 130 S CA -0.498 57.690 58.200 -0.020 0.000 1.005 130 S CB 1.107 64.286 63.200 -0.035 0.000 0.909 130 S HN 0.566 nan 8.310 nan 0.000 0.555 131 D N 0.654 121.110 120.400 0.093 0.000 2.183 131 D HA -0.115 4.509 4.640 -0.026 0.000 0.203 131 D C 1.756 178.118 176.300 0.104 0.000 0.969 131 D CA 0.769 54.867 54.000 0.162 0.000 0.842 131 D CB -0.512 40.352 40.800 0.106 0.000 0.957 131 D HN 0.722 nan 8.370 nan 0.000 0.484 132 N N 1.012 119.734 118.700 0.037 0.000 2.120 132 N HA -0.180 4.544 4.740 -0.026 0.000 0.188 132 N C 1.780 177.286 175.510 -0.006 0.000 1.024 132 N CA 1.317 54.376 53.050 0.015 0.000 0.852 132 N CB 0.155 38.640 38.487 -0.003 0.000 1.003 132 N HN 0.027 nan 8.380 nan 0.000 0.424 133 A N 0.588 123.366 122.820 -0.069 0.000 1.865 133 A HA -0.186 4.118 4.320 -0.026 0.000 0.217 133 A C 1.981 179.494 177.584 -0.118 0.000 1.191 133 A CA 1.325 53.275 52.037 -0.145 0.000 0.623 133 A CB -1.302 17.530 19.000 -0.280 0.000 0.826 133 A HN 0.526 nan 8.150 nan 0.000 0.444 134 Y N -0.251 120.057 120.300 0.014 0.000 2.165 134 Y HA -0.168 4.367 4.550 -0.025 0.000 0.286 134 Y C 2.945 178.853 175.900 0.014 0.000 1.155 134 Y CA 0.957 59.071 58.100 0.023 0.000 1.164 134 Y CB -0.296 38.177 38.460 0.023 0.000 0.978 134 Y HN 0.365 nan 8.280 nan 0.000 0.513 135 A N -0.195 122.717 122.820 0.153 0.000 1.930 135 A HA -0.199 4.106 4.320 -0.026 0.000 0.217 135 A C 2.106 179.719 177.584 0.048 0.000 1.175 135 A CA 1.414 53.503 52.037 0.086 0.000 0.627 135 A CB -0.436 18.601 19.000 0.061 0.000 0.815 135 A HN 0.370 nan 8.150 nan 0.000 0.443 136 Q N -0.318 119.497 119.800 0.025 0.000 2.119 136 Q HA -0.048 4.276 4.340 -0.026 0.000 0.201 136 Q C 2.132 178.124 176.000 -0.013 0.000 0.972 136 Q CA 1.167 56.969 55.803 -0.000 0.000 0.847 136 Q CB -0.390 28.339 28.738 -0.016 0.000 0.903 136 Q HN 0.721 nan 8.270 nan 0.000 0.433 137 L N -0.376 120.840 121.223 -0.012 0.000 2.156 137 L HA -0.059 4.265 4.340 -0.026 0.000 0.208 137 L C 2.352 179.220 176.870 -0.004 0.000 1.095 137 L CA 1.022 55.835 54.840 -0.046 0.000 0.770 137 L CB -0.711 41.327 42.059 -0.036 0.000 0.914 137 L HN 0.241 nan 8.230 nan 0.000 0.439 138 G N 0.074 108.903 108.800 0.048 0.000 2.418 138 G HA2 -0.203 3.741 3.960 -0.026 0.000 0.217 138 G HA3 -0.203 3.741 3.960 -0.026 0.000 0.217 138 G C 1.647 176.569 174.900 0.037 0.000 1.158 138 G CA 0.428 45.560 45.100 0.054 0.000 0.771 138 G HN 0.204 nan 8.290 nan 0.000 0.545 139 L N 0.237 121.475 121.223 0.025 0.000 2.042 139 L HA -0.121 4.203 4.340 -0.026 0.000 0.210 139 L C 3.023 179.903 176.870 0.017 0.000 1.076 139 L CA 0.590 55.442 54.840 0.021 0.000 0.749 139 L CB -0.361 41.705 42.059 0.012 0.000 0.893 139 L HN 0.113 nan 8.230 nan 0.000 0.432 140 V N -0.087 119.823 119.914 -0.006 0.000 2.295 140 V HA -0.312 3.792 4.120 -0.026 0.000 0.246 140 V C 2.356 178.460 176.094 0.016 0.000 1.049 140 V CA 1.747 64.033 62.300 -0.022 0.000 1.024 140 V CB -0.398 31.372 31.823 -0.087 0.000 0.648 140 V HN 0.337 nan 8.190 nan 0.000 0.447 141 L N -0.219 121.022 121.223 0.031 0.000 2.046 141 L HA -0.194 4.130 4.340 -0.026 0.000 0.208 141 L C 2.409 179.354 176.870 0.125 0.000 1.077 141 L CA 1.613 56.509 54.840 0.093 0.000 0.747 141 L CB -0.680 41.432 42.059 0.088 0.000 0.896 141 L HN 0.352 nan 8.230 nan 0.000 0.432 142 D N -0.090 120.363 120.400 0.088 0.000 2.097 142 D HA -0.186 4.438 4.640 -0.026 0.000 0.195 142 D C 2.203 178.559 176.300 0.093 0.000 0.989 142 D CA 1.376 55.428 54.000 0.086 0.000 0.827 142 D CB -0.159 40.676 40.800 0.058 0.000 0.966 142 D HN 0.409 nan 8.370 nan 0.000 0.456 143 R N 0.894 121.441 120.500 0.080 0.000 2.189 143 R HA -0.003 4.322 4.340 -0.026 0.000 0.218 143 R C 2.033 178.407 176.300 0.122 0.000 1.074 143 R CA 1.382 57.531 56.100 0.081 0.000 0.991 143 R CB -0.496 29.840 30.300 0.060 0.000 0.883 143 R HN 0.127 nan 8.270 nan 0.000 0.457 144 S N 0.988 116.783 115.700 0.157 0.000 2.399 144 S HA -0.090 4.365 4.470 -0.026 0.000 0.231 144 S C 2.051 176.812 174.600 0.269 0.000 1.022 144 S CA 1.102 59.448 58.200 0.243 0.000 0.983 144 S CB -0.454 62.868 63.200 0.203 0.000 0.803 144 S HN 0.164 nan 8.310 nan 0.000 0.480 145 V N 2.104 122.176 119.914 0.264 0.000 2.332 145 V HA -0.123 3.982 4.120 -0.026 0.000 0.248 145 V C 2.498 178.663 176.094 0.118 0.000 1.055 145 V CA 1.891 64.345 62.300 0.257 0.000 1.038 145 V CB -0.824 31.121 31.823 0.203 0.000 0.651 145 V HN 0.502 nan 8.190 nan 0.000 0.450 146 L N -0.531 120.739 121.223 0.077 0.000 2.240 146 L HA -0.052 4.272 4.340 -0.026 0.000 0.211 146 L C 2.250 179.103 176.870 -0.028 0.000 1.106 146 L CA 1.161 56.014 54.840 0.022 0.000 0.793 146 L CB -0.435 41.641 42.059 0.028 0.000 0.927 146 L HN 0.373 nan 8.230 nan 0.000 0.446 147 E N 0.559 120.742 120.200 -0.027 0.000 2.447 147 E HA 0.163 4.498 4.350 -0.026 0.000 0.195 147 E C 0.889 177.158 176.600 -0.552 0.000 1.028 147 E CA -0.010 56.317 56.400 -0.122 0.000 0.876 147 E CB 0.214 29.964 29.700 0.084 0.000 0.885 147 E HN 0.360 nan 8.360 nan 0.000 0.500 148 A N 3.844 126.248 122.820 -0.694 0.000 2.567 148 A HA 0.058 4.363 4.320 -0.026 0.000 0.240 148 A C -2.069 175.109 177.584 -0.677 0.000 1.053 148 A CA -0.918 50.416 52.037 -1.172 0.000 0.755 148 A CB -0.317 18.436 19.000 -0.412 0.000 0.978 148 A HN -0.037 nan 8.150 nan 0.000 0.507 149 P HA 0.236 nan 4.420 nan 0.000 0.271 149 P C 0.843 178.062 177.300 -0.134 0.000 1.226 149 P CA 1.281 64.211 63.100 -0.282 0.000 0.765 149 P CB 0.849 32.447 31.700 -0.171 0.000 0.835 150 G N 2.182 110.928 108.800 -0.089 0.000 2.176 150 G HA2 -0.007 3.938 3.960 -0.026 0.000 0.253 150 G HA3 -0.007 3.938 3.960 -0.026 0.000 0.253 150 G C 0.514 175.388 174.900 -0.043 0.000 0.979 150 G CA 0.312 45.384 45.100 -0.047 0.000 0.641 150 G HN 1.018 nan 8.290 nan 0.000 0.530 151 G N -2.343 106.420 108.800 -0.061 0.000 2.860 151 G HA2 0.215 4.159 3.960 -0.026 0.000 0.553 151 G HA3 0.215 4.159 3.960 -0.026 0.000 0.553 151 G C -0.343 174.575 174.900 0.031 0.000 1.439 151 G CA 0.051 45.134 45.100 -0.027 0.000 0.879 151 G HN 1.568 nan 8.290 nan 0.000 0.545 152 V N 1.136 121.078 119.914 0.048 0.000 2.407 152 V HA 0.503 4.607 4.120 -0.026 0.000 0.291 152 V C -0.481 175.576 176.094 -0.062 0.000 1.018 152 V CA -0.242 62.107 62.300 0.081 0.000 0.842 152 V CB 1.804 33.740 31.823 0.188 0.000 0.996 152 V HN 0.856 nan 8.190 nan 0.000 0.426 153 D N 4.106 124.446 120.400 -0.100 0.000 2.499 153 D HA 0.275 4.900 4.640 -0.026 0.000 0.225 153 D C 1.280 177.294 176.300 -0.477 0.000 1.124 153 D CA -0.388 53.499 54.000 -0.188 0.000 0.938 153 D CB 0.704 41.461 40.800 -0.072 0.000 1.014 153 D HN 0.401 nan 8.370 nan 0.000 0.517 154 R N 1.437 121.496 120.500 -0.734 0.000 2.241 154 R HA -0.076 4.248 4.340 -0.026 0.000 0.224 154 R C 1.023 177.024 176.300 -0.498 0.000 1.101 154 R CA 0.936 56.324 56.100 -1.186 0.000 0.995 154 R CB 0.338 30.204 30.300 -0.722 0.000 0.870 154 R HN 0.474 nan 8.270 nan 0.000 0.463 155 E N 0.454 120.502 120.200 -0.253 0.000 2.474 155 E HA -0.011 4.323 4.350 -0.026 0.000 0.194 155 E C 0.249 176.837 176.600 -0.021 0.000 1.041 155 E CA 0.030 56.373 56.400 -0.095 0.000 0.874 155 E CB 0.446 30.102 29.700 -0.072 0.000 0.914 155 E HN 0.224 nan 8.360 nan 0.000 0.498 156 S N -0.093 115.604 115.700 -0.004 0.000 2.600 156 S HA 0.334 4.788 4.470 -0.026 0.000 0.265 156 S C 1.187 175.862 174.600 0.124 0.000 1.325 156 S CA -0.187 58.050 58.200 0.061 0.000 1.002 156 S CB 1.737 64.980 63.200 0.073 0.000 0.921 156 S HN 0.106 nan 8.310 nan 0.000 0.554 157 A N 1.743 124.622 122.820 0.098 0.000 1.968 157 A HA 0.062 4.367 4.320 -0.026 0.000 0.217 157 A C 2.298 179.979 177.584 0.162 0.000 1.169 157 A CA 1.345 53.448 52.037 0.110 0.000 0.638 157 A CB -1.332 17.703 19.000 0.058 0.000 0.812 157 A HN 0.807 nan 8.150 nan 0.000 0.446 158 S N -0.988 114.802 115.700 0.150 0.000 2.368 158 S HA -0.119 4.336 4.470 -0.026 0.000 0.225 158 S C 1.646 176.392 174.600 0.243 0.000 1.030 158 S CA 1.405 59.719 58.200 0.190 0.000 0.999 158 S CB -0.490 62.784 63.200 0.122 0.000 0.844 158 S HN 0.635 nan 8.310 nan 0.000 0.459 159 F N 2.138 122.132 119.950 0.073 0.000 2.146 159 F HA -0.053 4.458 4.527 -0.026 0.000 0.298 159 F C 2.170 177.991 175.800 0.034 0.000 1.096 159 F CA 1.356 59.377 58.000 0.034 0.000 1.275 159 F CB -0.299 38.709 39.000 0.013 0.000 1.008 159 F HN 0.102 nan 8.300 nan 0.000 0.480 160 M N -0.959 118.818 119.600 0.295 0.000 2.159 160 M HA -0.167 4.297 4.480 -0.026 0.000 0.263 160 M C 2.145 178.498 176.300 0.088 0.000 1.063 160 M CA 1.584 56.993 55.300 0.182 0.000 1.110 160 M CB -0.748 31.962 32.600 0.183 0.000 1.374 160 M HN 0.340 nan 8.290 nan 0.000 0.411 161 F N 1.205 121.153 119.950 -0.003 0.000 2.075 161 F HA -0.026 4.485 4.527 -0.026 0.000 0.297 161 F C 2.210 177.979 175.800 -0.051 0.000 1.113 161 F CA 1.797 59.788 58.000 -0.014 0.000 1.218 161 F CB -1.040 37.960 39.000 -0.000 0.000 0.984 161 F HN 0.064 nan 8.300 nan 0.000 0.472 162 G N -0.011 108.578 108.800 -0.351 0.000 2.440 162 G HA2 -0.284 3.660 3.960 -0.026 0.000 0.218 162 G HA3 -0.284 3.660 3.960 -0.026 0.000 0.218 162 G C 1.544 176.191 174.900 -0.422 0.000 1.154 162 G CA 0.993 45.810 45.100 -0.472 0.000 0.767 162 G HN 0.504 nan 8.290 nan 0.000 0.552 163 E N 0.142 120.107 120.200 -0.392 0.000 2.085 163 E HA -0.159 4.175 4.350 -0.026 0.000 0.194 163 E C 2.102 178.584 176.600 -0.196 0.000 0.994 163 E CA 0.978 57.202 56.400 -0.294 0.000 0.801 163 E CB -0.167 29.405 29.700 -0.213 0.000 0.743 163 E HN 0.383 nan 8.360 nan 0.000 0.453 164 D N 0.344 120.632 120.400 -0.186 0.000 2.117 164 D HA -0.136 4.488 4.640 -0.026 0.000 0.197 164 D C 2.047 178.248 176.300 -0.164 0.000 0.987 164 D CA 0.830 54.750 54.000 -0.134 0.000 0.829 164 D CB 0.251 41.000 40.800 -0.086 0.000 0.961 164 D HN -0.001 nan 8.370 nan 0.000 0.460 165 V N 1.532 121.271 119.914 -0.291 0.000 2.261 165 V HA -0.253 3.852 4.120 -0.026 0.000 0.246 165 V C 2.716 178.841 176.094 0.052 0.000 1.047 165 V CA 1.883 64.083 62.300 -0.167 0.000 1.015 165 V CB -0.867 30.791 31.823 -0.274 0.000 0.642 165 V HN 0.221 nan 8.190 nan 0.000 0.446 166 A N -0.215 122.595 122.820 -0.017 0.000 1.940 166 A HA -0.287 4.018 4.320 -0.026 0.000 0.219 166 A C 1.968 179.616 177.584 0.106 0.000 1.176 166 A CA 2.137 54.206 52.037 0.054 0.000 0.631 166 A CB -0.680 18.269 19.000 -0.085 0.000 0.814 166 A HN 0.564 nan 8.150 nan 0.000 0.446 167 D N -0.281 120.133 120.400 0.023 0.000 2.123 167 D HA -0.114 4.510 4.640 -0.026 0.000 0.196 167 D C 2.092 178.431 176.300 0.064 0.000 0.992 167 D CA 1.500 55.528 54.000 0.047 0.000 0.833 167 D CB -0.472 40.324 40.800 -0.007 0.000 0.954 167 D HN 0.233 nan 8.370 nan 0.000 0.455 168 V N 0.450 120.356 119.914 -0.014 0.000 2.261 168 V HA -0.237 3.868 4.120 -0.026 0.000 0.246 168 V C 2.233 178.236 176.094 -0.152 0.000 1.047 168 V CA 1.403 63.627 62.300 -0.126 0.000 1.015 168 V CB -0.653 31.024 31.823 -0.244 0.000 0.642 168 V HN 0.105 nan 8.190 nan 0.000 0.446 169 F N -1.042 118.890 119.950 -0.031 0.000 2.171 169 F HA -0.161 4.351 4.527 -0.026 0.000 0.300 169 F C 2.165 177.936 175.800 -0.048 0.000 1.090 169 F CA 2.038 60.003 58.000 -0.058 0.000 1.293 169 F CB -0.486 38.487 39.000 -0.045 0.000 1.013 169 F HN 0.119 nan 8.300 nan 0.000 0.486 170 F N 0.698 120.696 119.950 0.081 0.000 2.102 170 F HA -0.161 4.350 4.527 -0.026 0.000 0.298 170 F C 2.358 178.148 175.800 -0.017 0.000 1.105 170 F CA 1.292 59.304 58.000 0.021 0.000 1.239 170 F CB -0.753 38.246 39.000 -0.001 0.000 0.991 170 F HN -0.096 nan 8.300 nan 0.000 0.474 171 A N 0.016 122.841 122.820 0.009 0.000 1.933 171 A HA -0.167 4.137 4.320 -0.026 0.000 0.218 171 A C 2.102 179.578 177.584 -0.179 0.000 1.175 171 A CA 1.811 53.795 52.037 -0.088 0.000 0.628 171 A CB -1.191 17.793 19.000 -0.028 0.000 0.814 171 A HN 0.499 nan 8.150 nan 0.000 0.444 172 L N -0.950 120.156 121.223 -0.195 0.000 2.044 172 L HA 0.065 4.390 4.340 -0.026 0.000 0.205 172 L C 1.884 178.625 176.870 -0.215 0.000 1.075 172 L CA 1.743 56.430 54.840 -0.256 0.000 0.747 172 L CB -0.159 41.670 42.059 -0.383 0.000 0.903 172 L HN 0.351 nan 8.230 nan 0.000 0.435 173 L N -1.074 120.033 121.223 -0.193 0.000 2.664 173 L HA 0.155 4.479 4.340 -0.026 0.000 0.233 173 L C 0.753 177.565 176.870 -0.096 0.000 1.113 173 L CA -0.166 54.589 54.840 -0.141 0.000 0.896 173 L CB -0.375 41.531 42.059 -0.256 0.000 1.163 173 L HN 0.259 nan 8.230 nan 0.000 0.497 174 N N 1.479 120.003 118.700 -0.294 0.000 2.483 174 N HA -0.078 4.646 4.740 -0.026 0.000 0.264 174 N C -0.882 174.510 175.510 -0.197 0.000 1.197 174 N CA 0.219 53.040 53.050 -0.381 0.000 0.927 174 N CB 0.685 38.563 38.487 -1.015 0.000 1.065 174 N HN -0.019 nan 8.380 nan 0.000 0.461 175 D N 5.567 125.920 120.400 -0.077 0.000 2.460 175 D HA 0.251 4.876 4.640 -0.026 0.000 0.268 175 D C -1.345 174.949 176.300 -0.010 0.000 1.153 175 D CA -2.104 51.889 54.000 -0.011 0.000 0.929 175 D CB 1.149 42.004 40.800 0.093 0.000 1.015 175 D HN 0.425 nan 8.370 nan 0.000 0.502 176 P HA -0.171 nan 4.420 nan 0.000 0.216 176 P C 0.641 177.948 177.300 0.012 0.000 1.157 176 P CA 0.896 63.990 63.100 -0.010 0.000 0.880 176 P CB 0.370 32.064 31.700 -0.009 0.000 0.791 177 R N -0.494 120.020 120.500 0.023 0.000 2.515 177 R HA 0.240 4.564 4.340 -0.026 0.000 0.294 177 R C 2.209 178.547 176.300 0.062 0.000 1.021 177 R CA 0.224 56.348 56.100 0.040 0.000 1.081 177 R CB -0.444 29.881 30.300 0.042 0.000 1.263 177 R HN 0.198 nan 8.270 nan 0.000 0.557 178 G N 1.525 110.368 108.800 0.070 0.000 2.529 178 G HA2 -0.356 3.589 3.960 -0.026 0.000 0.219 178 G HA3 -0.356 3.589 3.960 -0.026 0.000 0.219 178 G C 1.265 176.186 174.900 0.034 0.000 1.177 178 G CA 1.078 46.267 45.100 0.149 0.000 0.773 178 G HN 0.420 nan 8.290 nan 0.000 0.573 179 A N -0.147 122.617 122.820 -0.093 0.000 2.259 179 A HA 0.514 4.818 4.320 -0.026 0.000 0.208 179 A C 1.450 178.992 177.584 -0.070 0.000 1.201 179 A CA 0.811 52.737 52.037 -0.184 0.000 0.824 179 A CB -0.305 18.558 19.000 -0.228 0.000 0.838 179 A HN 0.410 nan 8.150 nan 0.000 0.485 180 S N 0.068 115.789 115.700 0.036 0.000 2.558 180 S HA 0.081 4.536 4.470 -0.026 0.000 0.288 180 S C 1.089 175.764 174.600 0.125 0.000 1.318 180 S CA 0.578 58.846 58.200 0.114 0.000 1.056 180 S CB 0.347 63.644 63.200 0.162 0.000 0.853 180 S HN 0.681 nan 8.310 nan 0.000 0.505 181 Q N 2.041 121.939 119.800 0.164 0.000 2.164 181 Q HA 0.331 4.656 4.340 -0.026 0.000 0.226 181 Q C 0.137 176.351 176.000 0.356 0.000 0.813 181 Q CA -0.404 55.484 55.803 0.141 0.000 0.978 181 Q CB -0.017 28.828 28.738 0.178 0.000 1.149 181 Q HN 0.782 nan 8.270 nan 0.000 0.489 182 E N 0.902 121.311 120.200 0.348 0.000 2.558 182 E HA 0.071 4.405 4.350 -0.026 0.000 0.255 182 E C 0.427 177.238 176.600 0.351 0.000 0.968 182 E CA 1.410 57.988 56.400 0.296 0.000 0.939 182 E CB -0.064 29.752 29.700 0.193 0.000 0.921 182 E HN 0.547 nan 8.360 nan 0.000 0.477 183 G N 3.562 112.528 108.800 0.278 0.000 2.213 183 G HA2 -0.337 3.607 3.960 -0.026 0.000 0.236 183 G HA3 -0.337 3.607 3.960 -0.026 0.000 0.236 183 G C -0.310 174.773 174.900 0.305 0.000 0.991 183 G CA 0.298 45.539 45.100 0.236 0.000 0.629 183 G HN 0.645 nan 8.290 nan 0.000 0.517 184 Y N 1.775 122.240 120.300 0.274 0.000 2.308 184 Y HA 0.605 5.139 4.550 -0.027 0.000 0.329 184 Y C 0.247 176.148 175.900 0.002 0.000 1.111 184 Y CA 0.750 58.916 58.100 0.109 0.000 1.179 184 Y CB 0.755 39.103 38.460 -0.186 0.000 1.201 184 Y HN 0.844 nan 8.280 nan 0.000 0.483 185 H N 4.467 122.905 119.070 -1.054 0.000 2.954 185 H HA 0.580 5.120 4.556 -0.026 0.000 0.361 185 H C -3.097 171.632 175.328 -0.998 0.000 1.122 185 H CA -2.624 52.962 56.048 -0.770 0.000 1.217 185 H CB 1.291 30.878 29.762 -0.292 0.000 1.776 185 H HN 0.576 nan 8.280 nan 0.000 0.533 186 P HA 0.269 nan 4.420 nan 0.000 0.271 186 P C 0.138 177.367 177.300 -0.118 0.000 1.233 186 P CA 0.310 63.308 63.100 -0.170 0.000 0.789 186 P CB 0.790 32.469 31.700 -0.035 0.000 0.951 187 T N -2.109 112.441 114.554 -0.006 0.000 2.991 187 T HA 0.486 4.820 4.350 -0.026 0.000 0.347 187 T C -2.716 171.987 174.700 0.005 0.000 1.122 187 T CA -2.373 59.720 62.100 -0.013 0.000 1.062 187 T CB 0.061 68.928 68.868 -0.001 0.000 1.043 187 T HN 0.058 nan 8.240 nan 0.000 0.491 188 P HA 0.483 nan 4.420 nan 0.000 0.266 188 P C 0.601 177.881 177.300 -0.033 0.000 1.186 188 P CA 0.853 63.950 63.100 -0.006 0.000 0.767 188 P CB 0.322 32.021 31.700 -0.002 0.000 0.820 189 G N 0.280 109.042 108.800 -0.063 0.000 2.350 189 G HA2 0.161 4.105 3.960 -0.026 0.000 0.304 189 G HA3 0.161 4.105 3.960 -0.026 0.000 0.304 189 G C -1.395 173.315 174.900 -0.317 0.000 1.421 189 G CA -1.086 43.933 45.100 -0.134 0.000 0.934 189 G HN 0.596 nan 8.290 nan 0.000 0.632 190 R N -0.277 119.964 120.500 -0.432 0.000 2.623 190 R HA 0.367 4.692 4.340 -0.026 0.000 0.271 190 R C 0.590 176.138 176.300 -1.254 0.000 1.043 190 R CA 0.879 56.416 56.100 -0.939 0.000 1.083 190 R CB -0.194 29.615 30.300 -0.819 0.000 0.974 190 R HN 1.106 nan 8.270 nan 0.000 0.436 191 Y N -0.631 118.330 120.300 -2.231 0.000 4.916 191 Y HA -0.329 4.205 4.550 -0.026 0.000 0.247 191 Y C -0.064 174.996 175.900 -1.402 0.000 0.962 191 Y CA 0.901 57.641 58.100 -2.266 0.000 1.933 191 Y CB -1.007 36.782 38.460 -1.119 0.000 1.451 191 Y HN 0.493 nan 8.280 nan 0.000 0.539 192 K N 1.433 121.379 120.400 -0.757 0.000 2.183 192 K HA 0.328 4.632 4.320 -0.026 0.000 0.274 192 K C -0.213 176.493 176.600 0.177 0.000 1.009 192 K CA -0.745 55.459 56.287 -0.139 0.000 0.888 192 K CB 0.996 33.455 32.500 -0.069 0.000 1.078 192 K HN 0.079 nan 8.250 nan 0.000 0.459 193 F N 2.486 122.527 119.950 0.153 0.000 2.563 193 F HA 0.076 4.587 4.527 -0.026 0.000 0.363 193 F C 0.181 176.111 175.800 0.217 0.000 1.123 193 F CA 0.611 58.743 58.000 0.219 0.000 1.307 193 F CB 0.570 39.656 39.000 0.144 0.000 1.115 193 F HN 0.542 nan 8.300 nan 0.000 0.592 194 D N 2.924 122.887 120.400 -0.729 0.000 2.639 194 D HA 0.160 4.784 4.640 -0.026 0.000 0.271 194 D C -1.741 174.171 176.300 -0.648 0.000 1.254 194 D CA -0.593 53.076 54.000 -0.552 0.000 0.810 194 D CB 1.449 42.169 40.800 -0.133 0.000 1.351 194 D HN 0.500 nan 8.370 nan 0.000 0.427 195 D N 0.954 121.206 120.400 -0.247 0.000 2.533 195 D HA 0.057 4.681 4.640 -0.026 0.000 0.236 195 D C 0.033 176.284 176.300 -0.082 0.000 1.137 195 D CA 0.647 54.593 54.000 -0.090 0.000 0.867 195 D CB 0.565 41.378 40.800 0.022 0.000 1.170 195 D HN 0.377 nan 8.370 nan 0.000 0.474 196 E N 3.148 123.334 120.200 -0.024 0.000 2.373 196 E HA 0.082 4.416 4.350 -0.026 0.000 0.267 196 E C -1.885 174.717 176.600 0.004 0.000 1.032 196 E CA -1.159 55.240 56.400 -0.000 0.000 0.889 196 E CB 0.695 30.425 29.700 0.050 0.000 0.984 196 E HN 0.135 nan 8.360 nan 0.000 0.425 197 P HA -0.212 nan 4.420 nan 0.000 0.225 197 P C 0.861 178.126 177.300 -0.057 0.000 1.148 197 P CA 1.423 64.501 63.100 -0.037 0.000 0.779 197 P CB 0.038 31.707 31.700 -0.050 0.000 0.780 198 T N -5.207 109.307 114.554 -0.066 0.000 3.065 198 T HA 0.021 4.355 4.350 -0.026 0.000 0.252 198 T C 0.474 174.932 174.700 -0.402 0.000 1.099 198 T CA 0.339 62.322 62.100 -0.194 0.000 1.063 198 T CB -0.714 68.040 68.868 -0.190 0.000 0.948 198 T HN 0.174 nan 8.240 nan 0.000 0.506 199 H N 1.195 120.266 119.070 0.002 0.000 2.514 199 H HA 0.324 4.864 4.556 -0.026 0.000 0.226 199 H C -2.033 173.290 175.328 -0.008 0.000 1.421 199 H CA -1.418 54.632 56.048 0.004 0.000 1.394 199 H CB 1.346 31.120 29.762 0.019 0.000 1.701 199 H HN 0.137 nan 8.280 nan 0.000 0.515 200 P HA -0.072 nan 4.420 nan 0.000 0.223 200 P C 0.176 177.485 177.300 0.014 0.000 1.151 200 P CA 0.748 63.861 63.100 0.022 0.000 0.787 200 P CB 1.228 32.930 31.700 0.003 0.000 0.788 201 V N -0.512 119.417 119.914 0.025 0.000 3.098 201 V HA 0.443 4.547 4.120 -0.026 0.000 0.294 201 V C -1.499 174.626 176.094 0.051 0.000 1.351 201 V CA -0.993 61.316 62.300 0.014 0.000 0.999 201 V CB 2.452 34.288 31.823 0.022 0.000 1.104 201 V HN -0.074 nan 8.190 nan 0.000 0.438 202 V N 3.873 123.828 119.914 0.069 0.000 2.914 202 V HA 0.751 4.856 4.120 -0.026 0.000 0.314 202 V C -1.031 175.134 176.094 0.117 0.000 1.084 202 V CA -0.889 61.471 62.300 0.099 0.000 0.963 202 V CB 2.007 33.895 31.823 0.108 0.000 1.025 202 V HN 0.803 nan 8.190 nan 0.000 0.432 203 L N 4.843 126.119 121.223 0.088 0.000 2.287 203 L HA 0.691 5.015 4.340 -0.026 0.000 0.287 203 L C -0.209 176.698 176.870 0.061 0.000 1.022 203 L CA -0.511 54.376 54.840 0.077 0.000 0.814 203 L CB 1.457 43.547 42.059 0.052 0.000 1.217 203 L HN 0.811 nan 8.230 nan 0.000 0.420 204 I N 0.722 121.324 120.570 0.054 0.000 2.846 204 I HA 0.683 4.838 4.170 -0.026 0.000 0.307 204 I C -2.646 173.465 176.117 -0.010 0.000 1.053 204 I CA -2.969 58.335 61.300 0.007 0.000 1.050 204 I CB 2.086 40.061 38.000 -0.041 0.000 1.239 204 I HN 0.247 nan 8.210 nan 0.000 0.439 205 P HA 0.037 nan 4.420 nan 0.000 0.266 205 P C 0.805 178.088 177.300 -0.029 0.000 1.195 205 P CA -0.184 62.903 63.100 -0.021 0.000 0.768 205 P CB 0.887 32.572 31.700 -0.026 0.000 0.838 206 V N 1.053 120.958 119.914 -0.015 0.000 2.667 206 V HA -0.116 3.988 4.120 -0.026 0.000 0.252 206 V C 0.766 176.849 176.094 -0.019 0.000 1.065 206 V CA 1.852 64.144 62.300 -0.013 0.000 1.083 206 V CB -0.802 31.021 31.823 -0.000 0.000 0.692 206 V HN 0.623 nan 8.190 nan 0.000 0.468 207 D N -0.753 119.637 120.400 -0.017 0.000 2.542 207 D HA 0.269 4.893 4.640 -0.026 0.000 0.252 207 D C -1.653 174.636 176.300 -0.019 0.000 1.222 207 D CA -2.017 51.975 54.000 -0.014 0.000 0.895 207 D CB 2.124 42.921 40.800 -0.005 0.000 1.207 207 D HN -0.043 nan 8.370 nan 0.000 0.558 208 P HA -0.129 nan 4.420 nan 0.000 0.221 208 P C 0.457 177.747 177.300 -0.017 0.000 1.145 208 P CA 0.657 63.739 63.100 -0.030 0.000 0.795 208 P CB 0.389 32.066 31.700 -0.039 0.000 0.775 209 N N -0.193 118.504 118.700 -0.006 0.000 2.521 209 N HA -0.050 4.674 4.740 -0.026 0.000 0.188 209 N C 0.352 175.860 175.510 -0.002 0.000 1.146 209 N CA 0.614 53.664 53.050 0.001 0.000 0.893 209 N CB -0.416 38.077 38.487 0.010 0.000 0.975 209 N HN 0.187 nan 8.380 nan 0.000 0.451 210 N N 0.442 119.138 118.700 -0.006 0.000 2.725 210 N HA 0.178 4.902 4.740 -0.026 0.000 0.248 210 N C -2.288 173.217 175.510 -0.008 0.000 1.402 210 N CA -1.586 51.461 53.050 -0.006 0.000 0.766 210 N CB 1.081 39.566 38.487 -0.003 0.000 1.223 210 N HN -0.129 nan 8.380 nan 0.000 0.515 211 P HA -0.002 nan 4.420 nan 0.000 0.236 211 P C -0.690 176.605 177.300 -0.008 0.000 1.172 211 P CA 0.508 63.601 63.100 -0.012 0.000 0.759 211 P CB 0.080 31.772 31.700 -0.013 0.000 0.843 212 N N 0.596 119.292 118.700 -0.006 0.000 2.936 212 N HA 0.404 5.129 4.740 -0.026 0.000 0.243 212 N C 0.270 175.779 175.510 -0.002 0.000 1.149 212 N CA 0.329 53.377 53.050 -0.004 0.000 0.914 212 N CB 0.178 38.661 38.487 -0.005 0.000 1.179 212 N HN 0.046 nan 8.380 nan 0.000 0.502 213 G N 2.413 111.213 108.800 0.000 0.000 3.147 213 G HA2 -0.209 3.735 3.960 -0.026 0.000 0.605 213 G HA3 -0.209 3.735 3.960 -0.026 0.000 0.605 213 G C -2.407 172.494 174.900 0.002 0.000 1.632 213 G CA -1.014 44.088 45.100 0.003 0.000 1.148 213 G HN 0.332 nan 8.290 nan 0.000 0.587 214 P HA 0.361 nan 4.420 nan 0.000 0.274 214 P C -0.456 176.849 177.300 0.008 0.000 1.237 214 P CA -0.116 62.989 63.100 0.008 0.000 0.793 214 P CB 1.109 32.815 31.700 0.010 0.000 0.977 215 K N 1.523 121.931 120.400 0.014 0.000 2.258 215 K HA 0.691 4.995 4.320 -0.026 0.000 0.236 215 K C 0.313 176.930 176.600 0.027 0.000 1.008 215 K CA -0.721 55.577 56.287 0.018 0.000 0.869 215 K CB 1.495 34.008 32.500 0.022 0.000 1.171 215 K HN 0.667 nan 8.250 nan 0.000 0.447 216 M N -1.124 118.499 119.600 0.039 0.000 2.531 216 M HA 0.489 4.954 4.480 -0.026 0.000 0.286 216 M C -2.905 173.451 176.300 0.094 0.000 1.232 216 M CA -2.202 53.133 55.300 0.058 0.000 0.877 216 M CB 2.286 34.918 32.600 0.054 0.000 1.726 216 M HN 0.005 nan 8.290 nan 0.000 0.463 217 P HA 0.305 nan 4.420 nan 0.000 0.271 217 P C -1.674 175.755 177.300 0.215 0.000 1.216 217 P CA 0.259 63.433 63.100 0.123 0.000 0.771 217 P CB 0.183 31.936 31.700 0.087 0.000 0.864 218 F N 3.282 123.242 119.950 0.016 0.000 2.581 218 F HA 0.508 5.019 4.527 -0.027 0.000 0.311 218 F C -0.734 175.054 175.800 -0.021 0.000 1.113 218 F CA -1.027 56.977 58.000 0.006 0.000 0.935 218 F CB 1.965 40.965 39.000 0.001 0.000 1.232 218 F HN 0.118 nan 8.300 nan 0.000 0.445 219 R N 4.306 124.251 120.500 -0.924 0.000 2.409 219 R HA 0.305 4.629 4.340 -0.026 0.000 0.313 219 R C -1.046 174.334 176.300 -1.534 0.000 0.953 219 R CA -0.820 54.753 56.100 -0.878 0.000 0.849 219 R CB 2.003 32.056 30.300 -0.412 0.000 1.171 219 R HN 0.693 nan 8.270 nan 0.000 0.458 220 Q N 3.107 122.212 119.800 -1.157 0.000 2.256 220 Q HA 0.248 4.572 4.340 -0.026 0.000 0.254 220 Q C -1.365 174.342 176.000 -0.489 0.000 0.916 220 Q CA -0.387 54.986 55.803 -0.717 0.000 0.932 220 Q CB 0.855 29.537 28.738 -0.093 0.000 1.207 220 Q HN 0.592 nan 8.270 nan 0.000 0.426 221 Y N 2.260 122.717 120.300 0.261 0.000 2.349 221 Y HA 0.184 4.718 4.550 -0.026 0.000 0.324 221 Y C -0.774 175.313 175.900 0.312 0.000 1.005 221 Y CA -1.108 57.233 58.100 0.403 0.000 1.240 221 Y CB 1.142 39.756 38.460 0.257 0.000 1.117 221 Y HN 0.707 nan 8.280 nan 0.000 0.463 222 H N 3.519 122.959 119.070 0.616 0.000 3.015 222 H HA 0.460 5.001 4.556 -0.025 0.000 0.268 222 H C 0.515 176.118 175.328 0.458 0.000 1.113 222 H CA 0.381 56.738 56.048 0.514 0.000 1.479 222 H CB 0.389 30.542 29.762 0.652 0.000 1.493 222 H HN 0.898 nan 8.280 nan 0.000 0.486 223 A N 5.763 128.373 122.820 -0.349 0.000 2.519 223 A HA -0.153 4.152 4.320 -0.026 0.000 0.297 223 A C -1.395 175.890 177.584 -0.498 0.000 1.472 223 A CA 0.386 52.203 52.037 -0.368 0.000 0.739 223 A CB -1.380 17.314 19.000 -0.510 0.000 1.096 223 A HN 0.771 nan 8.150 nan 0.000 0.414 224 P HA -0.074 nan 4.420 nan 0.000 0.223 224 P C 0.920 177.475 177.300 -1.241 0.000 1.151 224 P CA 1.295 63.031 63.100 -2.273 0.000 0.787 224 P CB -0.147 29.963 31.700 -2.650 0.000 0.788 225 F N -3.626 116.130 119.950 -0.324 0.000 2.724 225 F HA 0.173 4.685 4.527 -0.025 0.000 0.306 225 F C 2.455 178.240 175.800 -0.025 0.000 1.100 225 F CA -0.711 57.214 58.000 -0.125 0.000 1.255 225 F CB -0.653 38.299 39.000 -0.080 0.000 1.072 225 F HN -0.220 nan 8.300 nan 0.000 0.589 226 Y N 1.864 122.159 120.300 -0.009 0.000 2.030 226 Y HA -0.219 4.316 4.550 -0.025 0.000 0.274 226 Y C 2.473 178.366 175.900 -0.011 0.000 1.153 226 Y CA 1.892 59.981 58.100 -0.018 0.000 1.115 226 Y CB -0.903 37.505 38.460 -0.086 0.000 0.969 226 Y HN 0.046 nan 8.280 nan 0.000 0.488 227 G N 0.310 109.149 108.800 0.066 0.000 2.469 227 G HA2 -0.352 3.592 3.960 -0.026 0.000 0.220 227 G HA3 -0.352 3.592 3.960 -0.026 0.000 0.220 227 G C 1.577 176.373 174.900 -0.174 0.000 1.136 227 G CA 1.395 46.431 45.100 -0.106 0.000 0.759 227 G HN 0.605 nan 8.290 nan 0.000 0.562 228 K N -0.071 120.302 120.400 -0.044 0.000 2.243 228 K HA 0.036 4.340 4.320 -0.026 0.000 0.201 228 K C 2.168 178.737 176.600 -0.052 0.000 1.051 228 K CA 1.664 57.936 56.287 -0.026 0.000 0.970 228 K CB -0.274 32.259 32.500 0.055 0.000 0.755 228 K HN 0.340 nan 8.250 nan 0.000 0.465 229 T N -2.489 112.026 114.554 -0.064 0.000 3.015 229 T HA 0.041 4.375 4.350 -0.026 0.000 0.250 229 T C 1.033 175.662 174.700 -0.118 0.000 1.057 229 T CA -0.029 62.033 62.100 -0.064 0.000 1.066 229 T CB 0.073 68.928 68.868 -0.021 0.000 0.959 229 T HN 0.072 nan 8.240 nan 0.000 0.488 230 T N 2.066 116.472 114.554 -0.247 0.000 2.860 230 T HA 0.271 4.605 4.350 -0.026 0.000 0.299 230 T C -0.181 174.407 174.700 -0.187 0.000 1.045 230 T CA -0.419 61.510 62.100 -0.285 0.000 1.071 230 T CB 0.373 68.838 68.868 -0.671 0.000 0.985 230 T HN 0.256 nan 8.240 nan 0.000 0.537 231 K N 3.109 123.463 120.400 -0.075 0.000 2.322 231 K HA 0.247 4.552 4.320 -0.026 0.000 0.283 231 K C 0.093 176.757 176.600 0.107 0.000 1.042 231 K CA -0.391 55.911 56.287 0.025 0.000 0.958 231 K CB 0.617 33.152 32.500 0.058 0.000 0.984 231 K HN 0.379 nan 8.250 nan 0.000 0.473 232 R N 1.594 122.175 120.500 0.134 0.000 2.560 232 R HA 0.145 4.469 4.340 -0.026 0.000 0.270 232 R C 0.684 177.262 176.300 0.462 0.000 1.074 232 R CA -0.071 56.170 56.100 0.235 0.000 1.140 232 R CB 0.130 30.566 30.300 0.227 0.000 1.073 232 R HN 0.491 nan 8.270 nan 0.000 0.527 233 F N -0.121 119.919 119.950 0.150 0.000 2.148 233 F HA 0.239 4.751 4.527 -0.025 0.000 0.285 233 F C 1.678 177.689 175.800 0.352 0.000 1.092 233 F CA 1.351 59.484 58.000 0.222 0.000 1.218 233 F CB -0.382 38.683 39.000 0.108 0.000 1.059 233 F HN 0.597 nan 8.300 nan 0.000 0.490 234 A N -0.987 122.123 122.820 0.483 0.000 2.600 234 A HA 0.247 4.551 4.320 -0.026 0.000 0.252 234 A C 0.487 178.236 177.584 0.274 0.000 1.200 234 A CA 0.183 52.456 52.037 0.393 0.000 0.981 234 A CB -1.100 18.135 19.000 0.393 0.000 1.207 234 A HN 0.218 nan 8.150 nan 0.000 0.577 235 T N -1.172 113.554 114.554 0.286 0.000 2.900 235 T HA 0.256 4.590 4.350 -0.026 0.000 0.307 235 T C 0.398 175.229 174.700 0.217 0.000 1.065 235 T CA -0.019 62.238 62.100 0.262 0.000 1.105 235 T CB 0.850 69.926 68.868 0.348 0.000 0.979 235 T HN 0.176 nan 8.240 nan 0.000 0.544 236 Q N 0.300 120.203 119.800 0.173 0.000 2.247 236 Q HA 0.252 4.576 4.340 -0.026 0.000 0.211 236 Q C 0.524 176.561 176.000 0.062 0.000 0.861 236 Q CA -0.071 55.796 55.803 0.106 0.000 0.949 236 Q CB 0.518 29.304 28.738 0.079 0.000 1.115 236 Q HN 0.935 nan 8.270 nan 0.000 0.507 237 S N -1.302 114.419 115.700 0.034 0.000 2.727 237 S HA 0.518 4.972 4.470 -0.026 0.000 0.278 237 S C -0.785 173.710 174.600 -0.176 0.000 1.186 237 S CA -0.946 57.209 58.200 -0.075 0.000 0.836 237 S CB 2.090 65.192 63.200 -0.164 0.000 1.186 237 S HN -0.118 nan 8.310 nan 0.000 0.499 238 E N 1.121 121.197 120.200 -0.207 0.000 2.242 238 E HA 0.423 4.758 4.350 -0.026 0.000 0.275 238 E C -0.783 175.330 176.600 -0.812 0.000 1.002 238 E CA -0.382 55.833 56.400 -0.309 0.000 0.841 238 E CB 0.782 30.416 29.700 -0.109 0.000 1.109 238 E HN 0.619 nan 8.360 nan 0.000 0.394 239 H N 1.949 120.405 119.070 -1.024 0.000 2.492 239 H HA 0.419 4.959 4.556 -0.026 0.000 0.345 239 H C -0.601 174.321 175.328 -0.677 0.000 1.136 239 H CA -0.368 55.251 56.048 -0.714 0.000 1.202 239 H CB 0.924 30.218 29.762 -0.781 0.000 1.524 239 H HN 0.292 nan 8.280 nan 0.000 0.506 240 F N 1.367 121.398 119.950 0.135 0.000 2.588 240 F HA 0.426 4.937 4.527 -0.026 0.000 0.314 240 F C -0.214 175.685 175.800 0.165 0.000 1.069 240 F CA -0.775 57.285 58.000 0.100 0.000 0.931 240 F CB 1.828 40.759 39.000 -0.116 0.000 1.260 240 F HN 0.144 nan 8.300 nan 0.000 0.465 241 L N 1.499 122.917 121.223 0.324 0.000 2.303 241 L HA 0.812 5.137 4.340 -0.026 0.000 0.266 241 L C 0.041 177.057 176.870 0.242 0.000 1.011 241 L CA -1.290 53.721 54.840 0.284 0.000 0.818 241 L CB 1.781 43.956 42.059 0.192 0.000 1.326 241 L HN 0.786 nan 8.230 nan 0.000 0.435 242 A N 0.342 123.306 122.820 0.240 0.000 2.406 242 A HA 0.157 4.462 4.320 -0.026 0.000 0.243 242 A C -0.488 177.068 177.584 -0.046 0.000 1.082 242 A CA -0.423 51.690 52.037 0.127 0.000 0.786 242 A CB -0.031 19.037 19.000 0.114 0.000 1.029 242 A HN 0.683 nan 8.150 nan 0.000 0.495 243 D N 2.202 122.514 120.400 -0.147 0.000 2.455 243 D HA 0.254 4.879 4.640 -0.026 0.000 0.241 243 D C -2.089 173.740 176.300 -0.785 0.000 1.138 243 D CA -0.420 53.329 54.000 -0.418 0.000 0.877 243 D CB 0.397 41.083 40.800 -0.191 0.000 1.187 243 D HN 0.317 nan 8.370 nan 0.000 0.451 244 P HA 0.184 nan 4.420 nan 0.000 0.274 244 P C -2.650 173.923 177.300 -1.213 0.000 1.231 244 P CA -1.470 60.618 63.100 -1.687 0.000 0.790 244 P CB -0.160 30.101 31.700 -2.397 0.000 0.951 245 P HA 0.016 nan 4.420 nan 0.000 0.262 245 P C 1.083 177.935 177.300 -0.747 0.000 1.182 245 P CA 1.690 64.280 63.100 -0.850 0.000 0.761 245 P CB -0.290 30.879 31.700 -0.885 0.000 0.795 246 G N 1.990 110.402 108.800 -0.647 0.000 2.232 246 G HA2 -0.187 3.758 3.960 -0.026 0.000 0.226 246 G HA3 -0.187 3.758 3.960 -0.026 0.000 0.226 246 G C -0.210 174.133 174.900 -0.929 0.000 0.996 246 G CA -0.414 44.095 45.100 -0.985 0.000 0.626 246 G HN 0.466 nan 8.290 nan 0.000 0.509 247 L N -0.143 120.707 121.223 -0.622 0.000 2.341 247 L HA 0.706 5.030 4.340 -0.026 0.000 0.267 247 L C 1.588 178.312 176.870 -0.243 0.000 1.009 247 L CA -1.020 53.588 54.840 -0.386 0.000 0.819 247 L CB 1.689 43.593 42.059 -0.258 0.000 1.323 247 L HN 0.363 nan 8.230 nan 0.000 0.425 248 R N 0.313 120.734 120.500 -0.131 0.000 3.707 248 R HA -0.326 3.999 4.340 -0.026 0.000 0.504 248 R C 1.573 177.817 176.300 -0.092 0.000 0.241 248 R CA 1.930 57.986 56.100 -0.073 0.000 1.576 248 R CB -1.541 28.757 30.300 -0.003 0.000 0.924 248 R HN 0.859 nan 8.270 nan 0.000 0.597 249 S N 0.822 116.477 115.700 -0.074 0.000 2.474 249 S HA -0.033 4.421 4.470 -0.026 0.000 0.235 249 S C 0.972 175.509 174.600 -0.105 0.000 0.997 249 S CA 1.388 59.545 58.200 -0.071 0.000 0.949 249 S CB -0.065 63.111 63.200 -0.040 0.000 0.766 249 S HN 0.438 nan 8.310 nan 0.000 0.517 250 N N 0.876 119.476 118.700 -0.166 0.000 2.275 250 N HA 0.415 5.139 4.740 -0.026 0.000 0.236 250 N C 1.040 176.398 175.510 -0.254 0.000 1.154 250 N CA 0.603 53.528 53.050 -0.210 0.000 0.866 250 N CB 0.756 39.079 38.487 -0.274 0.000 1.093 250 N HN 0.516 nan 8.380 nan 0.000 0.515 251 A N 0.994 123.680 122.820 -0.223 0.000 2.125 251 A HA -0.147 4.158 4.320 -0.026 0.000 0.219 251 A C 1.693 179.170 177.584 -0.178 0.000 1.156 251 A CA 1.223 53.114 52.037 -0.243 0.000 0.671 251 A CB -0.111 18.781 19.000 -0.180 0.000 0.794 251 A HN 0.319 nan 8.150 nan 0.000 0.459 252 D N -0.564 119.757 120.400 -0.132 0.000 2.349 252 D HA -0.038 4.587 4.640 -0.026 0.000 0.215 252 D C 0.428 176.679 176.300 -0.082 0.000 1.016 252 D CA 0.306 54.253 54.000 -0.088 0.000 0.870 252 D CB -0.281 40.479 40.800 -0.065 0.000 0.917 252 D HN 0.342 nan 8.370 nan 0.000 0.524 253 E N 1.133 121.262 120.200 -0.118 0.000 2.467 253 E HA 0.034 4.368 4.350 -0.026 0.000 0.321 253 E C 1.138 177.709 176.600 -0.049 0.000 1.388 253 E CA -0.039 56.303 56.400 -0.097 0.000 1.508 253 E CB -0.234 29.369 29.700 -0.162 0.000 1.250 253 E HN 0.294 nan 8.360 nan 0.000 0.500 254 T N -2.470 112.078 114.554 -0.010 0.000 3.014 254 T HA 0.009 4.343 4.350 -0.026 0.000 0.263 254 T C 1.863 176.619 174.700 0.094 0.000 1.078 254 T CA 0.548 62.681 62.100 0.055 0.000 1.135 254 T CB 0.139 69.027 68.868 0.033 0.000 0.895 254 T HN 0.211 nan 8.240 nan 0.000 0.480 255 A N 1.700 124.555 122.820 0.057 0.000 1.968 255 A HA 0.027 4.332 4.320 -0.026 0.000 0.217 255 A C 2.290 179.927 177.584 0.087 0.000 1.169 255 A CA 1.688 53.762 52.037 0.063 0.000 0.638 255 A CB -0.654 18.364 19.000 0.031 0.000 0.812 255 A HN 0.546 nan 8.150 nan 0.000 0.446 256 E N -0.788 119.464 120.200 0.088 0.000 2.028 256 E HA -0.214 4.121 4.350 -0.026 0.000 0.191 256 E C 1.784 178.478 176.600 0.157 0.000 0.988 256 E CA 1.703 58.179 56.400 0.126 0.000 0.799 256 E CB -0.673 29.066 29.700 0.065 0.000 0.755 256 E HN 0.591 nan 8.360 nan 0.000 0.447 257 Y N 1.493 121.814 120.300 0.035 0.000 2.081 257 Y HA -0.244 4.291 4.550 -0.025 0.000 0.280 257 Y C 1.802 177.789 175.900 0.144 0.000 1.163 257 Y CA 2.538 60.687 58.100 0.083 0.000 1.135 257 Y CB -0.516 37.955 38.460 0.019 0.000 0.970 257 Y HN 0.120 nan 8.280 nan 0.000 0.498 258 D N -0.274 120.182 120.400 0.093 0.000 2.149 258 D HA -0.180 4.444 4.640 -0.026 0.000 0.198 258 D C 1.745 178.080 176.300 0.060 0.000 0.990 258 D CA 1.787 55.818 54.000 0.052 0.000 0.839 258 D CB -0.471 40.389 40.800 0.100 0.000 0.948 258 D HN 0.482 nan 8.370 nan 0.000 0.460 259 D N -0.342 120.109 120.400 0.084 0.000 2.194 259 D HA 0.031 4.656 4.640 -0.026 0.000 0.204 259 D C 1.929 178.291 176.300 0.103 0.000 0.964 259 D CA 1.056 55.118 54.000 0.104 0.000 0.846 259 D CB 0.012 40.895 40.800 0.138 0.000 0.962 259 D HN 0.079 nan 8.370 nan 0.000 0.490 260 A N -0.167 122.719 122.820 0.110 0.000 1.933 260 A HA -0.106 4.198 4.320 -0.026 0.000 0.218 260 A C 2.403 180.087 177.584 0.166 0.000 1.175 260 A CA 1.315 53.451 52.037 0.166 0.000 0.628 260 A CB -0.740 18.420 19.000 0.265 0.000 0.814 260 A HN 0.195 nan 8.150 nan 0.000 0.444 261 V N -0.249 119.699 119.914 0.056 0.000 2.343 261 V HA -0.253 3.852 4.120 -0.026 0.000 0.247 261 V C 2.621 178.682 176.094 -0.054 0.000 1.051 261 V CA 2.337 64.671 62.300 0.057 0.000 1.036 261 V CB -0.776 31.034 31.823 -0.022 0.000 0.654 261 V HN 0.644 nan 8.190 nan 0.000 0.451 262 R N -0.151 120.344 120.500 -0.009 0.000 2.070 262 R HA -0.129 4.195 4.340 -0.026 0.000 0.233 262 R C 2.198 178.477 176.300 -0.036 0.000 1.137 262 R CA 1.735 57.819 56.100 -0.026 0.000 0.945 262 R CB -0.426 29.888 30.300 0.022 0.000 0.845 262 R HN 0.370 nan 8.270 nan 0.000 0.430 263 V N 0.967 120.885 119.914 0.007 0.000 2.407 263 V HA -0.226 3.878 4.120 -0.026 0.000 0.248 263 V C 2.391 178.485 176.094 0.001 0.000 1.055 263 V CA 1.847 64.159 62.300 0.018 0.000 1.049 263 V CB -0.779 31.065 31.823 0.034 0.000 0.662 263 V HN 0.550 nan 8.190 nan 0.000 0.455 264 A N 0.146 122.930 122.820 -0.060 0.000 1.883 264 A HA -0.203 4.102 4.320 -0.026 0.000 0.217 264 A C 2.193 179.698 177.584 -0.132 0.000 1.186 264 A CA 2.100 54.054 52.037 -0.137 0.000 0.624 264 A CB -0.551 18.228 19.000 -0.369 0.000 0.822 264 A HN 0.500 nan 8.150 nan 0.000 0.444 265 I N -0.363 119.990 120.570 -0.363 0.000 2.179 265 I HA -0.280 3.874 4.170 -0.026 0.000 0.242 265 I C 2.977 179.151 176.117 0.094 0.000 1.088 265 I CA 1.156 62.241 61.300 -0.358 0.000 1.357 265 I CB -0.318 37.371 38.000 -0.518 0.000 1.051 265 I HN 0.361 nan 8.210 nan 0.000 0.409 266 A N 0.349 123.194 122.820 0.042 0.000 1.898 266 A HA -0.156 4.149 4.320 -0.026 0.000 0.216 266 A C 2.207 179.878 177.584 0.144 0.000 1.181 266 A CA 1.481 53.573 52.037 0.091 0.000 0.620 266 A CB -0.267 18.767 19.000 0.057 0.000 0.819 266 A HN 0.308 nan 8.150 nan 0.000 0.442 267 M N -1.383 118.319 119.600 0.171 0.000 2.501 267 M HA 0.142 4.606 4.480 -0.026 0.000 0.261 267 M C 1.750 178.204 176.300 0.258 0.000 1.129 267 M CA 1.051 56.497 55.300 0.242 0.000 1.126 267 M CB -0.806 31.988 32.600 0.323 0.000 1.359 267 M HN 0.428 nan 8.290 nan 0.000 0.471 268 G N -0.238 108.721 108.800 0.264 0.000 3.377 268 G HA2 0.411 4.355 3.960 -0.026 0.000 0.257 268 G HA3 0.411 4.355 3.960 -0.026 0.000 0.257 268 G C 0.642 175.627 174.900 0.140 0.000 1.038 268 G CA -0.046 45.185 45.100 0.219 0.000 0.809 268 G HN 0.483 nan 8.290 nan 0.000 0.526 269 G N 0.114 109.058 108.800 0.239 0.000 2.634 269 G HA2 0.528 4.472 3.960 -0.026 0.000 0.255 269 G HA3 0.528 4.472 3.960 -0.026 0.000 0.255 269 G C 0.524 175.332 174.900 -0.153 0.000 1.205 269 G CA 0.227 45.322 45.100 -0.009 0.000 0.884 269 G HN 0.540 nan 8.290 nan 0.000 0.549 270 A N -0.416 122.245 122.820 -0.264 0.000 2.466 270 A HA 0.215 4.519 4.320 -0.026 0.000 0.238 270 A C 1.556 179.088 177.584 -0.087 0.000 1.074 270 A CA 0.594 52.520 52.037 -0.184 0.000 0.774 270 A CB 0.278 19.161 19.000 -0.194 0.000 1.015 270 A HN 0.888 nan 8.150 nan 0.000 0.498 271 Q N 1.382 121.138 119.800 -0.073 0.000 2.096 271 Q HA -0.242 4.082 4.340 -0.026 0.000 0.208 271 Q C 1.790 177.775 176.000 -0.025 0.000 0.993 271 Q CA 2.357 58.134 55.803 -0.043 0.000 0.862 271 Q CB -0.265 28.446 28.738 -0.045 0.000 0.915 271 Q HN 0.908 nan 8.270 nan 0.000 0.416 272 A N 0.153 122.955 122.820 -0.029 0.000 2.208 272 A HA 0.179 4.483 4.320 -0.026 0.000 0.209 272 A C 0.714 178.297 177.584 -0.002 0.000 1.161 272 A CA -0.159 51.869 52.037 -0.016 0.000 0.782 272 A CB -0.179 18.809 19.000 -0.020 0.000 0.816 272 A HN 0.346 nan 8.150 nan 0.000 0.477 273 L N 0.542 121.768 121.223 0.005 0.000 2.456 273 L HA 0.048 4.373 4.340 -0.026 0.000 0.272 273 L C 1.047 177.946 176.870 0.048 0.000 1.189 273 L CA -0.702 54.160 54.840 0.037 0.000 0.846 273 L CB 0.143 42.246 42.059 0.074 0.000 1.111 273 L HN 0.240 nan 8.230 nan 0.000 0.475 274 N N 0.700 119.429 118.700 0.048 0.000 2.381 274 N HA -0.124 4.601 4.740 -0.026 0.000 0.182 274 N C 1.655 177.197 175.510 0.055 0.000 1.025 274 N CA 1.344 54.419 53.050 0.041 0.000 0.888 274 N CB 0.029 38.535 38.487 0.032 0.000 0.965 274 N HN 0.732 nan 8.380 nan 0.000 0.438 275 S N -1.055 114.694 115.700 0.083 0.000 2.562 275 S HA 0.056 4.511 4.470 -0.026 0.000 0.221 275 S C 0.775 175.438 174.600 0.106 0.000 0.975 275 S CA -0.136 58.118 58.200 0.090 0.000 0.918 275 S CB -0.215 63.051 63.200 0.110 0.000 0.772 275 S HN -0.020 nan 8.310 nan 0.000 0.531 276 T N 3.417 118.036 114.554 0.109 0.000 2.794 276 T HA 0.323 4.658 4.350 -0.026 0.000 0.296 276 T C 0.572 175.313 174.700 0.069 0.000 0.949 276 T CA -0.492 61.670 62.100 0.105 0.000 1.101 276 T CB 1.029 69.945 68.868 0.081 0.000 0.905 276 T HN 0.116 nan 8.240 nan 0.000 0.516 277 K N 1.688 122.132 120.400 0.073 0.000 2.374 277 K HA 0.131 4.435 4.320 -0.026 0.000 0.202 277 K C 0.894 177.524 176.600 0.050 0.000 1.040 277 K CA -0.242 56.079 56.287 0.057 0.000 1.085 277 K CB 0.428 32.965 32.500 0.061 0.000 0.873 277 K HN 0.444 nan 8.250 nan 0.000 0.539 278 R N 2.605 123.132 120.500 0.046 0.000 2.585 278 R HA 0.005 4.329 4.340 -0.026 0.000 0.275 278 R C 0.222 176.498 176.300 -0.041 0.000 1.018 278 R CA 0.320 56.414 56.100 -0.011 0.000 1.072 278 R CB 0.481 30.762 30.300 -0.032 0.000 0.953 278 R HN 0.111 nan 8.270 nan 0.000 0.419 279 S N 4.050 119.710 115.700 -0.068 0.000 2.645 279 S HA 0.255 4.710 4.470 -0.026 0.000 0.266 279 S C -1.847 172.724 174.600 -0.048 0.000 1.258 279 S CA -1.297 56.887 58.200 -0.027 0.000 0.990 279 S CB 1.497 64.709 63.200 0.021 0.000 0.967 279 S HN 0.516 nan 8.310 nan 0.000 0.556 280 P HA -0.075 nan 4.420 nan 0.000 0.216 280 P C 1.247 178.567 177.300 0.033 0.000 1.150 280 P CA 1.014 64.125 63.100 0.019 0.000 0.837 280 P CB -0.079 31.657 31.700 0.059 0.000 0.786 281 W N 0.716 121.953 121.300 -0.106 0.000 2.381 281 W HA -0.162 4.482 4.660 -0.026 0.000 0.301 281 W C 1.761 178.174 176.519 -0.177 0.000 1.205 281 W CA 1.288 58.565 57.345 -0.113 0.000 1.285 281 W CB -0.335 29.069 29.460 -0.092 0.000 1.133 281 W HN 0.020 nan 8.180 nan 0.000 0.521 282 Q N -0.410 119.167 119.800 -0.372 0.000 2.170 282 Q HA -0.167 4.157 4.340 -0.026 0.000 0.203 282 Q C 2.020 177.606 176.000 -0.691 0.000 0.976 282 Q CA 2.242 57.537 55.803 -0.847 0.000 0.858 282 Q CB -0.516 27.523 28.738 -1.166 0.000 0.907 282 Q HN 0.123 nan 8.270 nan 0.000 0.433 283 T N 0.816 115.139 114.554 -0.385 0.000 2.788 283 T HA -0.155 4.180 4.350 -0.026 0.000 0.268 283 T C 1.901 176.485 174.700 -0.193 0.000 1.044 283 T CA 1.210 63.182 62.100 -0.215 0.000 1.139 283 T CB -0.221 68.568 68.868 -0.131 0.000 0.867 283 T HN 0.401 nan 8.240 nan 0.000 0.454 284 A N 1.290 123.930 122.820 -0.300 0.000 1.930 284 A HA -0.120 4.185 4.320 -0.026 0.000 0.217 284 A C 2.272 179.679 177.584 -0.296 0.000 1.175 284 A CA 1.298 53.139 52.037 -0.326 0.000 0.627 284 A CB -0.569 18.122 19.000 -0.517 0.000 0.815 284 A HN 0.520 nan 8.150 nan 0.000 0.443 285 Q N -0.699 118.857 119.800 -0.408 0.000 2.167 285 Q HA -0.089 4.235 4.340 -0.026 0.000 0.202 285 Q C 2.164 178.319 176.000 0.258 0.000 0.970 285 Q CA 1.079 56.830 55.803 -0.087 0.000 0.855 285 Q CB -0.368 28.333 28.738 -0.063 0.000 0.911 285 Q HN 0.693 nan 8.270 nan 0.000 0.438 286 G N 0.753 109.676 108.800 0.204 0.000 2.404 286 G HA2 -0.197 3.748 3.960 -0.026 0.000 0.215 286 G HA3 -0.197 3.748 3.960 -0.026 0.000 0.215 286 G C 1.329 176.320 174.900 0.151 0.000 1.174 286 G CA 0.352 45.592 45.100 0.233 0.000 0.780 286 G HN 0.140 nan 8.290 nan 0.000 0.537 287 L N -0.548 120.717 121.223 0.070 0.000 2.156 287 L HA 0.049 4.373 4.340 -0.026 0.000 0.208 287 L C 2.447 179.343 176.870 0.043 0.000 1.095 287 L CA 1.048 55.901 54.840 0.022 0.000 0.770 287 L CB -1.335 40.700 42.059 -0.039 0.000 0.914 287 L HN 0.329 nan 8.230 nan 0.000 0.439 288 Y N -0.257 120.005 120.300 -0.063 0.000 2.139 288 Y HA -0.285 4.248 4.550 -0.028 0.000 0.282 288 Y C 1.906 177.680 175.900 -0.209 0.000 1.179 288 Y CA 1.975 59.965 58.100 -0.183 0.000 1.161 288 Y CB -0.310 38.008 38.460 -0.236 0.000 0.970 288 Y HN 0.114 nan 8.280 nan 0.000 0.511 289 W N -0.932 120.521 121.300 0.254 0.000 3.353 289 W HA 0.349 4.992 4.660 -0.028 0.000 0.304 289 W C 2.043 178.725 176.519 0.272 0.000 1.273 289 W CA 0.307 57.834 57.345 0.303 0.000 1.773 289 W CB -0.485 29.197 29.460 0.370 0.000 1.095 289 W HN 0.096 nan 8.180 nan 0.000 0.676 290 A N 0.071 123.076 122.820 0.308 0.000 1.827 290 A HA -0.239 4.065 4.320 -0.026 0.000 0.215 290 A C 0.511 178.348 177.584 0.423 0.000 1.212 290 A CA 1.311 53.504 52.037 0.258 0.000 0.624 290 A CB -1.413 17.614 19.000 0.045 0.000 0.853 290 A HN 0.357 nan 8.150 nan 0.000 0.450 291 Y N 0.498 120.772 120.300 -0.044 0.000 3.037 291 Y HA -0.170 4.365 4.550 -0.025 0.000 0.204 291 Y C -0.079 175.815 175.900 -0.011 0.000 1.275 291 Y CA 0.608 58.646 58.100 -0.103 0.000 1.066 291 Y CB -2.001 36.352 38.460 -0.179 0.000 1.305 291 Y HN 0.439 nan 8.280 nan 0.000 0.499 292 D N 0.927 121.406 120.400 0.131 0.000 2.856 292 D HA 0.259 4.883 4.640 -0.026 0.000 0.242 292 D C 1.506 177.912 176.300 0.176 0.000 1.226 292 D CA 1.112 55.241 54.000 0.214 0.000 0.855 292 D CB -0.405 40.513 40.800 0.196 0.000 1.065 292 D HN 0.757 nan 8.370 nan 0.000 0.462 293 G N 0.780 109.563 108.800 -0.027 0.000 2.176 293 G HA2 -0.276 3.668 3.960 -0.026 0.000 0.252 293 G HA3 -0.276 3.668 3.960 -0.026 0.000 0.252 293 G C 0.510 175.361 174.900 -0.081 0.000 1.024 293 G CA 0.084 45.084 45.100 -0.167 0.000 0.755 293 G HN 0.333 nan 8.290 nan 0.000 0.507 294 S N 0.170 115.805 115.700 -0.107 0.000 2.614 294 S HA 0.410 4.864 4.470 -0.026 0.000 0.265 294 S C 0.739 175.242 174.600 -0.161 0.000 1.303 294 S CA -0.686 57.441 58.200 -0.121 0.000 1.000 294 S CB 0.498 63.606 63.200 -0.154 0.000 0.935 294 S HN 0.448 nan 8.310 nan 0.000 0.551 295 N N 1.551 120.128 118.700 -0.206 0.000 2.412 295 N HA 0.063 4.787 4.740 -0.026 0.000 0.258 295 N C 0.853 176.174 175.510 -0.315 0.000 1.236 295 N CA 0.325 53.195 53.050 -0.301 0.000 0.882 295 N CB -0.275 37.879 38.487 -0.555 0.000 1.066 295 N HN 0.670 nan 8.380 nan 0.000 0.465 296 L N 0.207 121.281 121.223 -0.249 0.000 4.988 296 L HA -0.324 4.001 4.340 -0.026 0.000 0.439 296 L C 0.795 177.543 176.870 -0.203 0.000 1.080 296 L CA 0.759 55.479 54.840 -0.200 0.000 1.018 296 L CB -1.390 40.538 42.059 -0.218 0.000 1.945 296 L HN 0.586 nan 8.230 nan 0.000 0.782 297 I N -1.909 118.517 120.570 -0.240 0.000 3.812 297 I HA 0.368 4.522 4.170 -0.026 0.000 0.292 297 I C 1.610 177.585 176.117 -0.236 0.000 1.206 297 I CA 0.747 61.844 61.300 -0.338 0.000 1.370 297 I CB 0.623 38.298 38.000 -0.541 0.000 1.328 297 I HN 0.431 nan 8.210 nan 0.000 0.453 298 G N 1.525 110.195 108.800 -0.216 0.000 2.568 298 G HA2 -0.215 3.730 3.960 -0.026 0.000 0.222 298 G HA3 -0.215 3.730 3.960 -0.026 0.000 0.222 298 G C 0.029 174.711 174.900 -0.364 0.000 1.321 298 G CA -0.131 44.787 45.100 -0.303 0.000 0.893 298 G HN 0.398 nan 8.290 nan 0.000 0.569 299 T N -1.719 112.627 114.554 -0.347 0.000 2.937 299 T HA 0.718 5.052 4.350 -0.026 0.000 0.283 299 T C -1.446 173.162 174.700 -0.153 0.000 1.012 299 T CA -0.720 61.245 62.100 -0.226 0.000 0.997 299 T CB 2.184 70.880 68.868 -0.287 0.000 1.136 299 T HN 0.350 nan 8.240 nan 0.000 0.551 300 P HA -0.006 nan 4.420 nan 0.000 0.216 300 P C -1.597 175.189 177.300 -0.856 0.000 1.153 300 P CA 1.229 63.952 63.100 -0.627 0.000 0.858 300 P CB -1.194 30.117 31.700 -0.647 0.000 0.789 301 P HA -0.152 nan 4.420 nan 0.000 0.218 301 P C 1.548 178.700 177.300 -0.247 0.000 1.148 301 P CA 1.391 64.266 63.100 -0.375 0.000 0.822 301 P CB -0.295 31.178 31.700 -0.377 0.000 0.784 302 R N -1.276 119.095 120.500 -0.216 0.000 2.070 302 R HA -0.173 4.152 4.340 -0.026 0.000 0.233 302 R C 2.105 178.330 176.300 -0.125 0.000 1.137 302 R CA 1.486 57.532 56.100 -0.089 0.000 0.945 302 R CB -1.052 29.261 30.300 0.021 0.000 0.845 302 R HN 0.035 nan 8.270 nan 0.000 0.430 303 F N 0.724 120.268 119.950 -0.676 0.000 2.134 303 F HA -0.146 4.367 4.527 -0.024 0.000 0.299 303 F C 1.498 177.058 175.800 -0.401 0.000 1.097 303 F CA 1.179 58.654 58.000 -0.876 0.000 1.264 303 F CB -0.803 37.166 39.000 -1.719 0.000 1.001 303 F HN 0.080 nan 8.300 nan 0.000 0.479 304 Y N 0.014 120.170 120.300 -0.240 0.000 2.207 304 Y HA -0.294 4.241 4.550 -0.026 0.000 0.287 304 Y C 2.245 178.022 175.900 -0.206 0.000 1.156 304 Y CA 1.197 59.137 58.100 -0.267 0.000 1.182 304 Y CB -0.733 37.528 38.460 -0.331 0.000 0.979 304 Y HN 0.093 nan 8.280 nan 0.000 0.521 305 N N -0.184 118.521 118.700 0.009 0.000 2.244 305 N HA -0.142 4.582 4.740 -0.026 0.000 0.183 305 N C 1.597 177.184 175.510 0.129 0.000 1.016 305 N CA 1.071 54.179 53.050 0.096 0.000 0.866 305 N CB -0.219 38.360 38.487 0.153 0.000 0.980 305 N HN 0.415 nan 8.380 nan 0.000 0.430 306 Q N 0.077 119.918 119.800 0.067 0.000 2.084 306 Q HA -0.052 4.273 4.340 -0.026 0.000 0.202 306 Q C 1.820 177.865 176.000 0.075 0.000 0.978 306 Q CA 0.965 56.832 55.803 0.106 0.000 0.844 306 Q CB -0.078 28.756 28.738 0.160 0.000 0.898 306 Q HN 0.465 nan 8.270 nan 0.000 0.426 307 I N -0.190 120.348 120.570 -0.052 0.000 2.252 307 I HA -0.228 3.926 4.170 -0.026 0.000 0.245 307 I C 2.162 178.333 176.117 0.090 0.000 1.102 307 I CA 0.746 62.037 61.300 -0.015 0.000 1.385 307 I CB -0.215 37.739 38.000 -0.076 0.000 1.064 307 I HN 0.020 nan 8.210 nan 0.000 0.414 308 V N 0.953 120.911 119.914 0.072 0.000 2.490 308 V HA -0.245 3.859 4.120 -0.026 0.000 0.250 308 V C 2.548 178.687 176.094 0.075 0.000 1.061 308 V CA 1.718 64.018 62.300 0.001 0.000 1.064 308 V CB -0.785 30.894 31.823 -0.240 0.000 0.670 308 V HN 0.372 nan 8.190 nan 0.000 0.461 309 R N -0.113 120.525 120.500 0.230 0.000 2.073 309 R HA -0.182 4.142 4.340 -0.026 0.000 0.234 309 R C 2.519 178.871 176.300 0.086 0.000 1.134 309 R CA 1.870 58.109 56.100 0.232 0.000 0.952 309 R CB -0.429 30.043 30.300 0.287 0.000 0.850 309 R HN 0.428 nan 8.270 nan 0.000 0.433 310 R N 1.077 121.702 120.500 0.208 0.000 2.081 310 R HA -0.108 4.216 4.340 -0.026 0.000 0.235 310 R C 2.113 178.457 176.300 0.074 0.000 1.131 310 R CA 1.482 57.709 56.100 0.212 0.000 0.960 310 R CB -0.249 30.183 30.300 0.221 0.000 0.856 310 R HN 0.176 nan 8.270 nan 0.000 0.436 311 I N 0.797 121.423 120.570 0.093 0.000 2.179 311 I HA -0.250 3.905 4.170 -0.026 0.000 0.242 311 I C 2.607 178.799 176.117 0.126 0.000 1.088 311 I CA 1.303 62.677 61.300 0.124 0.000 1.357 311 I CB -0.479 37.595 38.000 0.124 0.000 1.051 311 I HN 0.336 nan 8.210 nan 0.000 0.409 312 A N 0.447 123.324 122.820 0.095 0.000 1.883 312 A HA -0.178 4.126 4.320 -0.026 0.000 0.217 312 A C 2.407 180.041 177.584 0.083 0.000 1.186 312 A CA 2.093 54.217 52.037 0.146 0.000 0.624 312 A CB -1.018 17.927 19.000 -0.091 0.000 0.822 312 A HN 0.263 nan 8.150 nan 0.000 0.444 313 V N -0.491 119.305 119.914 -0.197 0.000 2.548 313 V HA -0.156 3.948 4.120 -0.026 0.000 0.249 313 V C 2.633 178.675 176.094 -0.087 0.000 1.055 313 V CA 2.226 64.402 62.300 -0.207 0.000 1.065 313 V CB -1.023 30.390 31.823 -0.684 0.000 0.681 313 V HN 0.610 nan 8.190 nan 0.000 0.462 314 T N -0.915 113.543 114.554 -0.160 0.000 2.867 314 T HA -0.124 4.211 4.350 -0.026 0.000 0.268 314 T C 1.244 175.637 174.700 -0.511 0.000 1.057 314 T CA 1.418 63.302 62.100 -0.360 0.000 1.136 314 T CB -0.270 68.261 68.868 -0.561 0.000 0.874 314 T HN 0.576 nan 8.240 nan 0.000 0.466 315 Y N 1.830 122.175 120.300 0.076 0.000 2.607 315 Y HA 0.276 4.810 4.550 -0.026 0.000 0.266 315 Y C 0.835 176.885 175.900 0.249 0.000 1.178 315 Y CA -1.048 57.123 58.100 0.118 0.000 1.226 315 Y CB -0.060 38.381 38.460 -0.031 0.000 1.144 315 Y HN 0.143 nan 8.280 nan 0.000 0.528 316 K N 0.295 120.885 120.400 0.317 0.000 2.319 316 K HA 0.094 4.399 4.320 -0.026 0.000 0.265 316 K C 0.227 176.958 176.600 0.217 0.000 1.000 316 K CA -0.237 56.244 56.287 0.324 0.000 0.943 316 K CB 0.889 33.577 32.500 0.314 0.000 0.950 316 K HN 0.178 nan 8.250 nan 0.000 0.485 317 K N 0.747 121.248 120.400 0.168 0.000 2.228 317 K HA -0.027 4.278 4.320 -0.026 0.000 0.202 317 K C -0.056 176.594 176.600 0.084 0.000 1.051 317 K CA 1.052 57.412 56.287 0.122 0.000 0.960 317 K CB 0.146 32.705 32.500 0.097 0.000 0.743 317 K HN 0.608 nan 8.250 nan 0.000 0.458 318 E N 0.042 120.281 120.200 0.065 0.000 2.266 318 E HA 0.122 4.456 4.350 -0.026 0.000 0.268 318 E C -0.130 176.505 176.600 0.059 0.000 0.879 318 E CA -0.471 55.960 56.400 0.051 0.000 0.762 318 E CB 1.838 31.556 29.700 0.029 0.000 1.199 318 E HN -0.051 nan 8.360 nan 0.000 0.422 319 E N 0.786 121.020 120.200 0.057 0.000 2.268 319 E HA -0.111 4.223 4.350 -0.026 0.000 0.195 319 E C -0.128 176.509 176.600 0.062 0.000 0.995 319 E CA 0.862 57.298 56.400 0.060 0.000 0.836 319 E CB -0.002 29.729 29.700 0.053 0.000 0.763 319 E HN 0.430 nan 8.360 nan 0.000 0.491 320 D N -0.083 120.350 120.400 0.054 0.000 2.313 320 D HA 0.090 4.714 4.640 -0.026 0.000 0.239 320 D C 0.877 177.214 176.300 0.062 0.000 1.142 320 D CA -0.067 53.967 54.000 0.057 0.000 0.847 320 D CB 0.727 41.556 40.800 0.049 0.000 1.082 320 D HN -0.111 nan 8.370 nan 0.000 0.480 321 L N 3.303 124.577 121.223 0.085 0.000 2.270 321 L HA 0.103 4.427 4.340 -0.026 0.000 0.210 321 L C 2.161 179.091 176.870 0.099 0.000 1.104 321 L CA 0.730 55.639 54.840 0.115 0.000 0.804 321 L CB -0.096 42.047 42.059 0.141 0.000 0.937 321 L HN 0.557 nan 8.230 nan 0.000 0.450 322 A N -0.034 122.840 122.820 0.089 0.000 1.878 322 A HA 0.001 4.306 4.320 -0.026 0.000 0.213 322 A C 0.844 178.495 177.584 0.113 0.000 1.192 322 A CA 0.818 52.915 52.037 0.100 0.000 0.619 322 A CB -0.039 19.011 19.000 0.084 0.000 0.837 322 A HN 0.428 nan 8.150 nan 0.000 0.446 323 N N 0.317 119.070 118.700 0.088 0.000 2.841 323 N HA 0.282 5.007 4.740 -0.026 0.000 0.257 323 N C -1.145 174.405 175.510 0.068 0.000 1.396 323 N CA 0.192 53.298 53.050 0.093 0.000 0.823 323 N CB 1.204 39.738 38.487 0.079 0.000 1.162 323 N HN 0.185 nan 8.380 nan 0.000 0.503 324 S N 0.729 116.461 115.700 0.052 0.000 2.750 324 S HA 0.177 4.632 4.470 -0.026 0.000 0.276 324 S C 0.513 175.121 174.600 0.013 0.000 1.165 324 S CA -0.497 57.717 58.200 0.024 0.000 1.047 324 S CB 1.194 64.390 63.200 -0.006 0.000 1.056 324 S HN 0.116 nan 8.310 nan 0.000 0.481 325 E N 3.092 123.329 120.200 0.061 0.000 2.204 325 E HA -0.048 4.286 4.350 -0.026 0.000 0.194 325 E C 1.973 178.610 176.600 0.061 0.000 0.989 325 E CA 0.868 57.332 56.400 0.107 0.000 0.824 325 E CB -0.134 29.654 29.700 0.146 0.000 0.756 325 E HN 0.568 nan 8.360 nan 0.000 0.477 326 V N 2.151 122.077 119.914 0.021 0.000 2.358 326 V HA -0.232 3.873 4.120 -0.026 0.000 0.246 326 V C 1.947 177.970 176.094 -0.117 0.000 1.047 326 V CA 1.592 63.895 62.300 0.005 0.000 1.035 326 V CB -0.424 31.410 31.823 0.018 0.000 0.658 326 V HN 0.203 nan 8.190 nan 0.000 0.452 327 N N 0.631 119.188 118.700 -0.239 0.000 2.106 327 N HA -0.114 4.610 4.740 -0.026 0.000 0.188 327 N C 1.690 176.699 175.510 -0.836 0.000 1.029 327 N CA 1.301 53.975 53.050 -0.628 0.000 0.848 327 N CB -0.610 37.559 38.487 -0.529 0.000 1.007 327 N HN 0.426 nan 8.380 nan 0.000 0.423 328 N N 1.243 119.658 118.700 -0.475 0.000 2.061 328 N HA -0.116 4.609 4.740 -0.026 0.000 0.193 328 N C 1.601 176.772 175.510 -0.565 0.000 1.030 328 N CA 1.372 54.118 53.050 -0.506 0.000 0.856 328 N CB -0.506 37.743 38.487 -0.397 0.000 1.023 328 N HN 0.257 nan 8.380 nan 0.000 0.424 329 A N 0.649 123.280 122.820 -0.315 0.000 1.898 329 A HA -0.156 4.148 4.320 -0.026 0.000 0.216 329 A C 2.056 179.759 177.584 0.199 0.000 1.181 329 A CA 1.775 53.790 52.037 -0.036 0.000 0.620 329 A CB -0.672 18.536 19.000 0.347 0.000 0.819 329 A HN 0.270 nan 8.150 nan 0.000 0.442 330 D N -0.966 119.478 120.400 0.075 0.000 2.097 330 D HA -0.144 4.480 4.640 -0.026 0.000 0.195 330 D C 1.599 178.098 176.300 0.332 0.000 0.989 330 D CA 1.383 55.513 54.000 0.217 0.000 0.827 330 D CB -0.267 40.587 40.800 0.089 0.000 0.966 330 D HN 0.314 nan 8.370 nan 0.000 0.456 331 F N 0.988 121.029 119.950 0.151 0.000 2.146 331 F HA 0.145 4.657 4.527 -0.025 0.000 0.298 331 F C 2.577 178.509 175.800 0.220 0.000 1.096 331 F CA 0.689 58.809 58.000 0.200 0.000 1.275 331 F CB -1.455 37.607 39.000 0.104 0.000 1.008 331 F HN 0.010 nan 8.300 nan 0.000 0.480 332 A N 0.018 122.979 122.820 0.234 0.000 1.933 332 A HA -0.220 4.084 4.320 -0.026 0.000 0.218 332 A C 2.323 180.191 177.584 0.473 0.000 1.175 332 A CA 1.959 54.135 52.037 0.231 0.000 0.628 332 A CB -0.627 18.247 19.000 -0.210 0.000 0.814 332 A HN 0.230 nan 8.150 nan 0.000 0.444 333 R N -0.389 120.417 120.500 0.509 0.000 2.062 333 R HA -0.034 4.290 4.340 -0.026 0.000 0.229 333 R C 1.943 178.257 176.300 0.023 0.000 1.128 333 R CA 1.619 57.949 56.100 0.384 0.000 0.960 333 R CB -1.077 29.409 30.300 0.310 0.000 0.855 333 R HN 0.420 nan 8.270 nan 0.000 0.432 334 L N -0.130 120.993 121.223 -0.166 0.000 1.990 334 L HA -0.085 4.239 4.340 -0.026 0.000 0.213 334 L C 1.921 178.541 176.870 -0.417 0.000 1.072 334 L CA 1.903 56.390 54.840 -0.588 0.000 0.755 334 L CB -0.762 40.969 42.059 -0.546 0.000 0.889 334 L HN 0.213 nan 8.230 nan 0.000 0.432 335 F N -0.334 119.493 119.950 -0.206 0.000 2.293 335 F HA -0.078 4.433 4.527 -0.026 0.000 0.300 335 F C 2.405 178.016 175.800 -0.315 0.000 1.086 335 F CA 1.106 58.881 58.000 -0.375 0.000 1.375 335 F CB -0.847 37.747 39.000 -0.677 0.000 1.045 335 F HN 0.229 nan 8.300 nan 0.000 0.516 336 A N 0.043 122.878 122.820 0.026 0.000 1.872 336 A HA -0.084 4.220 4.320 -0.026 0.000 0.214 336 A C 2.208 179.718 177.584 -0.123 0.000 1.187 336 A CA 1.151 53.181 52.037 -0.010 0.000 0.614 336 A CB -0.977 17.997 19.000 -0.044 0.000 0.826 336 A HN 0.337 nan 8.150 nan 0.000 0.442 337 L N -0.515 120.613 121.223 -0.157 0.000 2.012 337 L HA -0.182 4.142 4.340 -0.026 0.000 0.210 337 L C 2.573 179.362 176.870 -0.136 0.000 1.073 337 L CA 1.276 56.038 54.840 -0.130 0.000 0.748 337 L CB -0.527 41.464 42.059 -0.114 0.000 0.891 337 L HN 0.254 nan 8.230 nan 0.000 0.431 338 V N -0.483 119.294 119.914 -0.229 0.000 2.307 338 V HA -0.275 3.829 4.120 -0.026 0.000 0.245 338 V C 1.978 177.952 176.094 -0.200 0.000 1.045 338 V CA 1.896 64.040 62.300 -0.259 0.000 1.024 338 V CB -0.460 31.115 31.823 -0.413 0.000 0.651 338 V HN 0.429 nan 8.190 nan 0.000 0.449 339 D N -0.386 119.915 120.400 -0.165 0.000 2.269 339 D HA -0.069 4.555 4.640 -0.026 0.000 0.208 339 D C 2.052 178.310 176.300 -0.069 0.000 0.963 339 D CA 0.803 54.749 54.000 -0.091 0.000 0.864 339 D CB 0.139 40.938 40.800 -0.001 0.000 0.936 339 D HN 0.310 nan 8.370 nan 0.000 0.505 340 V N 1.089 120.974 119.914 -0.050 0.000 2.407 340 V HA -0.118 3.987 4.120 -0.026 0.000 0.245 340 V C 2.496 178.571 176.094 -0.031 0.000 1.041 340 V CA 1.479 63.779 62.300 0.000 0.000 1.040 340 V CB -0.477 31.366 31.823 0.034 0.000 0.671 340 V HN 0.143 nan 8.190 nan 0.000 0.455 341 A N -1.136 121.660 122.820 -0.040 0.000 1.902 341 A HA -0.294 4.010 4.320 -0.026 0.000 0.217 341 A C 2.395 179.951 177.584 -0.047 0.000 1.181 341 A CA 2.156 54.171 52.037 -0.037 0.000 0.623 341 A CB -1.214 17.749 19.000 -0.062 0.000 0.818 341 A HN 0.578 nan 8.150 nan 0.000 0.443 342 C N -1.105 118.149 119.300 -0.078 0.000 2.429 342 C HA -0.081 4.363 4.460 -0.026 0.000 0.277 342 C C 3.024 178.025 174.990 0.019 0.000 1.262 342 C CA 1.913 60.912 59.018 -0.032 0.000 1.733 342 C CB -1.476 26.179 27.740 -0.141 0.000 2.010 342 C HN 0.633 nan 8.230 nan 0.000 0.483 343 T N 0.488 114.969 114.554 -0.121 0.000 2.674 343 T HA -0.151 4.184 4.350 -0.026 0.000 0.265 343 T C 1.322 175.923 174.700 -0.166 0.000 1.039 343 T CA 2.006 63.956 62.100 -0.251 0.000 1.150 343 T CB -0.436 68.019 68.868 -0.688 0.000 0.864 343 T HN 0.549 nan 8.240 nan 0.000 0.427 344 D N 1.132 121.468 120.400 -0.108 0.000 2.219 344 D HA 0.042 4.667 4.640 -0.026 0.000 0.205 344 D C 2.248 178.624 176.300 0.126 0.000 0.970 344 D CA 0.942 54.963 54.000 0.034 0.000 0.851 344 D CB -0.374 40.519 40.800 0.155 0.000 0.943 344 D HN 0.401 nan 8.370 nan 0.000 0.488 345 A N 0.709 123.580 122.820 0.085 0.000 1.930 345 A HA 0.010 4.315 4.320 -0.026 0.000 0.217 345 A C 2.366 179.964 177.584 0.024 0.000 1.175 345 A CA 1.840 53.912 52.037 0.058 0.000 0.627 345 A CB -0.922 18.103 19.000 0.041 0.000 0.815 345 A HN 0.295 nan 8.150 nan 0.000 0.443 346 G N 0.029 108.908 108.800 0.132 0.000 2.408 346 G HA2 -0.158 3.787 3.960 -0.026 0.000 0.217 346 G HA3 -0.158 3.787 3.960 -0.026 0.000 0.217 346 G C 1.514 176.507 174.900 0.156 0.000 1.150 346 G CA 1.092 46.267 45.100 0.125 0.000 0.776 346 G HN 0.475 nan 8.290 nan 0.000 0.542 347 I N -0.472 120.144 120.570 0.078 0.000 2.163 347 I HA -0.081 4.073 4.170 -0.026 0.000 0.240 347 I C 2.418 178.415 176.117 -0.200 0.000 1.081 347 I CA 1.007 62.247 61.300 -0.100 0.000 1.353 347 I CB -0.248 37.491 38.000 -0.434 0.000 1.054 347 I HN 0.100 nan 8.210 nan 0.000 0.407 348 F N 0.851 120.822 119.950 0.035 0.000 2.259 348 F HA -0.172 4.340 4.527 -0.026 0.000 0.298 348 F C 2.892 178.701 175.800 0.015 0.000 1.088 348 F CA 1.306 59.307 58.000 0.001 0.000 1.358 348 F CB -0.472 38.496 39.000 -0.054 0.000 1.040 348 F HN 0.109 nan 8.300 nan 0.000 0.505 349 S N -0.663 115.125 115.700 0.147 0.000 2.383 349 S HA -0.210 4.244 4.470 -0.026 0.000 0.227 349 S C 1.985 176.633 174.600 0.079 0.000 1.026 349 S CA 0.590 58.816 58.200 0.042 0.000 0.981 349 S CB -1.025 62.132 63.200 -0.071 0.000 0.818 349 S HN 0.501 nan 8.310 nan 0.000 0.472 350 W N 2.203 123.488 121.300 -0.025 0.000 2.388 350 W HA 0.047 4.691 4.660 -0.027 0.000 0.294 350 W C 2.578 179.202 176.519 0.175 0.000 1.212 350 W CA 1.204 58.604 57.345 0.092 0.000 1.271 350 W CB -0.160 29.403 29.460 0.172 0.000 1.126 350 W HN 0.416 nan 8.180 nan 0.000 0.535 351 K N 0.693 121.232 120.400 0.231 0.000 2.057 351 K HA -0.199 4.106 4.320 -0.026 0.000 0.207 351 K C 1.673 178.352 176.600 0.132 0.000 1.049 351 K CA 1.439 57.811 56.287 0.142 0.000 0.931 351 K CB -0.067 32.446 32.500 0.022 0.000 0.714 351 K HN -0.063 nan 8.250 nan 0.000 0.440 352 E N 0.786 121.059 120.200 0.123 0.000 2.152 352 E HA -0.125 4.209 4.350 -0.026 0.000 0.192 352 E C 1.899 178.610 176.600 0.185 0.000 0.983 352 E CA 0.871 57.372 56.400 0.169 0.000 0.818 352 E CB 0.041 29.863 29.700 0.203 0.000 0.758 352 E HN 0.321 nan 8.360 nan 0.000 0.467 353 K N -0.110 120.277 120.400 -0.022 0.000 2.009 353 K HA -0.167 4.138 4.320 -0.026 0.000 0.210 353 K C 1.944 178.407 176.600 -0.227 0.000 1.049 353 K CA 1.630 57.772 56.287 -0.242 0.000 0.929 353 K CB -0.232 31.816 32.500 -0.754 0.000 0.714 353 K HN 0.176 nan 8.250 nan 0.000 0.440 354 W N 0.842 122.088 121.300 -0.089 0.000 2.905 354 W HA -0.037 4.608 4.660 -0.025 0.000 0.251 354 W C 2.104 178.621 176.519 -0.003 0.000 1.305 354 W CA 0.138 57.438 57.345 -0.075 0.000 1.465 354 W CB 0.111 29.483 29.460 -0.146 0.000 1.122 354 W HN 0.207 nan 8.180 nan 0.000 0.659 355 E N 0.537 120.824 120.200 0.146 0.000 2.028 355 E HA -0.164 4.170 4.350 -0.026 0.000 0.190 355 E C 1.531 178.067 176.600 -0.107 0.000 0.984 355 E CA 1.650 58.013 56.400 -0.063 0.000 0.800 355 E CB -0.790 28.728 29.700 -0.303 0.000 0.758 355 E HN 0.297 nan 8.360 nan 0.000 0.448 356 F N 0.573 120.619 119.950 0.160 0.000 2.335 356 F HA 0.222 4.733 4.527 -0.026 0.000 0.296 356 F C 0.740 176.655 175.800 0.192 0.000 1.091 356 F CA 0.853 58.953 58.000 0.168 0.000 1.399 356 F CB 0.013 39.137 39.000 0.206 0.000 1.067 356 F HN -0.047 nan 8.300 nan 0.000 0.520 357 E N -0.079 120.317 120.200 0.326 0.000 2.440 357 E HA -0.282 4.053 4.350 -0.026 0.000 0.246 357 E C -0.228 176.574 176.600 0.336 0.000 1.165 357 E CA -0.169 56.380 56.400 0.247 0.000 0.726 357 E CB -1.659 28.233 29.700 0.319 0.000 1.271 357 E HN 0.277 nan 8.360 nan 0.000 0.397 358 F N 1.562 121.662 119.950 0.249 0.000 2.538 358 F HA 0.159 4.670 4.527 -0.026 0.000 0.371 358 F C 0.861 176.971 175.800 0.517 0.000 1.087 358 F CA -0.528 57.656 58.000 0.307 0.000 1.250 358 F CB 0.403 39.582 39.000 0.298 0.000 1.110 358 F HN 0.092 nan 8.300 nan 0.000 0.570 359 W N 6.500 127.767 121.300 -0.056 0.000 2.112 359 W HA 0.393 5.042 4.660 -0.020 0.000 0.349 359 W C -0.471 176.313 176.519 0.441 0.000 1.289 359 W CA -1.569 55.888 57.345 0.186 0.000 1.256 359 W CB -0.209 29.291 29.460 0.067 0.000 1.148 359 W HN 0.393 nan 8.180 nan 0.000 0.590 360 R N 2.206 122.997 120.500 0.486 0.000 2.582 360 R HA 0.139 4.464 4.340 -0.026 0.000 0.271 360 R C -1.349 174.881 176.300 -0.116 0.000 1.078 360 R CA -1.845 54.357 56.100 0.169 0.000 1.127 360 R CB -0.200 30.112 30.300 0.021 0.000 1.038 360 R HN 0.203 nan 8.270 nan 0.000 0.500 361 P HA -0.170 nan 4.420 nan 0.000 0.216 361 P C 1.356 178.476 177.300 -0.300 0.000 1.150 361 P CA 0.799 63.343 63.100 -0.928 0.000 0.843 361 P CB 0.157 31.238 31.700 -1.032 0.000 0.787 362 L N -0.529 120.632 121.223 -0.102 0.000 2.012 362 L HA -0.178 4.146 4.340 -0.026 0.000 0.210 362 L C 2.142 178.963 176.870 -0.081 0.000 1.073 362 L CA 2.139 56.999 54.840 0.035 0.000 0.748 362 L CB -1.389 40.618 42.059 -0.086 0.000 0.891 362 L HN -0.123 nan 8.230 nan 0.000 0.431 363 S N -0.408 115.167 115.700 -0.209 0.000 2.387 363 S HA -0.041 4.413 4.470 -0.026 0.000 0.226 363 S C 1.889 176.037 174.600 -0.755 0.000 1.026 363 S CA 0.865 58.873 58.200 -0.321 0.000 0.972 363 S CB -0.877 62.215 63.200 -0.178 0.000 0.814 363 S HN 0.695 nan 8.310 nan 0.000 0.477 364 G N 1.452 109.620 108.800 -1.053 0.000 2.446 364 G HA2 -0.167 3.777 3.960 -0.026 0.000 0.217 364 G HA3 -0.167 3.777 3.960 -0.026 0.000 0.217 364 G C 1.451 176.059 174.900 -0.487 0.000 1.168 364 G CA 1.069 45.366 45.100 -1.338 0.000 0.771 364 G HN 0.416 nan 8.290 nan 0.000 0.551 365 V N 0.469 120.199 119.914 -0.305 0.000 2.307 365 V HA -0.116 3.989 4.120 -0.026 0.000 0.245 365 V C 2.933 178.919 176.094 -0.180 0.000 1.045 365 V CA 1.916 64.065 62.300 -0.251 0.000 1.024 365 V CB -0.444 31.094 31.823 -0.475 0.000 0.651 365 V HN 0.290 nan 8.190 nan 0.000 0.449 366 R N 0.006 120.414 120.500 -0.154 0.000 2.075 366 R HA -0.121 4.203 4.340 -0.026 0.000 0.232 366 R C 1.623 177.829 176.300 -0.157 0.000 1.126 366 R CA 1.572 57.586 56.100 -0.143 0.000 0.963 366 R CB -0.267 29.957 30.300 -0.128 0.000 0.858 366 R HN 0.470 nan 8.270 nan 0.000 0.435 367 D N -0.114 120.172 120.400 -0.189 0.000 2.328 367 D HA -0.050 4.575 4.640 -0.026 0.000 0.221 367 D C 0.838 177.138 176.300 0.001 0.000 1.072 367 D CA 0.406 54.353 54.000 -0.088 0.000 0.850 367 D CB 0.018 40.807 40.800 -0.018 0.000 0.922 367 D HN 0.199 nan 8.370 nan 0.000 0.516 368 D N 0.360 120.741 120.400 -0.031 0.000 2.133 368 D HA -0.202 4.423 4.640 -0.026 0.000 0.192 368 D C 1.776 178.123 176.300 0.077 0.000 1.001 368 D CA 2.684 56.732 54.000 0.082 0.000 0.844 368 D CB 0.119 40.966 40.800 0.079 0.000 0.944 368 D HN 0.247 nan 8.370 nan 0.000 0.447 369 G N -0.714 108.111 108.800 0.042 0.000 2.268 369 G HA2 -0.312 3.633 3.960 -0.026 0.000 0.240 369 G HA3 -0.312 3.633 3.960 -0.026 0.000 0.240 369 G C 0.234 175.165 174.900 0.052 0.000 1.010 369 G CA 0.201 45.323 45.100 0.038 0.000 0.618 369 G HN 0.449 nan 8.290 nan 0.000 0.516 370 R N 1.094 121.645 120.500 0.084 0.000 2.221 370 R HA 0.425 4.750 4.340 -0.026 0.000 0.327 370 R C -1.576 174.794 176.300 0.116 0.000 1.033 370 R CA -1.618 54.557 56.100 0.125 0.000 0.887 370 R CB 1.299 31.729 30.300 0.216 0.000 1.057 370 R HN 0.066 nan 8.270 nan 0.000 0.455 371 P HA -0.210 nan 4.420 nan 0.000 0.218 371 P C 0.204 177.520 177.300 0.027 0.000 1.146 371 P CA 1.321 64.452 63.100 0.051 0.000 0.813 371 P CB 0.211 31.937 31.700 0.043 0.000 0.778 372 D N -3.862 116.542 120.400 0.007 0.000 2.395 372 D HA -0.018 4.606 4.640 -0.026 0.000 0.213 372 D C 1.217 177.365 176.300 -0.254 0.000 1.110 372 D CA 0.350 54.283 54.000 -0.111 0.000 0.835 372 D CB -0.671 40.037 40.800 -0.154 0.000 0.965 372 D HN 0.282 nan 8.370 nan 0.000 0.505 373 H N -0.342 118.730 119.070 0.004 0.000 2.545 373 H HA 0.305 4.845 4.556 -0.027 0.000 0.251 373 H C 1.170 176.473 175.328 -0.042 0.000 0.934 373 H CA 0.552 56.596 56.048 -0.005 0.000 1.116 373 H CB 0.849 30.630 29.762 0.031 0.000 1.439 373 H HN 0.167 nan 8.280 nan 0.000 0.445 374 G N 0.253 109.108 108.800 0.091 0.000 2.535 374 G HA2 0.291 4.236 3.960 -0.026 0.000 0.303 374 G HA3 0.291 4.236 3.960 -0.026 0.000 0.303 374 G C -1.012 173.864 174.900 -0.040 0.000 1.237 374 G CA -0.171 44.924 45.100 -0.009 0.000 0.986 374 G HN 0.137 nan 8.290 nan 0.000 0.494 375 D N -0.621 119.736 120.400 -0.072 0.000 2.336 375 D HA 0.320 4.945 4.640 -0.026 0.000 0.248 375 D C -2.063 174.204 176.300 -0.055 0.000 1.326 375 D CA -1.695 52.301 54.000 -0.006 0.000 0.973 375 D CB 1.930 42.739 40.800 0.016 0.000 1.255 375 D HN -0.055 nan 8.370 nan 0.000 0.558 376 P HA 0.014 nan 4.420 nan 0.000 0.229 376 P C 0.266 177.035 177.300 -0.886 0.000 1.150 376 P CA 0.879 63.645 63.100 -0.557 0.000 0.765 376 P CB -0.069 31.189 31.700 -0.736 0.000 0.783 377 F N -5.109 114.888 119.950 0.078 0.000 2.735 377 F HA 0.292 4.801 4.527 -0.030 0.000 0.308 377 F C 0.750 176.624 175.800 0.123 0.000 1.112 377 F CA -1.096 56.947 58.000 0.072 0.000 1.235 377 F CB -0.456 38.571 39.000 0.045 0.000 1.027 377 F HN -0.146 nan 8.300 nan 0.000 0.528 378 W N 2.842 124.142 121.300 -0.000 0.000 2.148 378 W HA 0.487 5.140 4.660 -0.011 0.000 0.347 378 W C -0.969 175.525 176.519 -0.042 0.000 1.288 378 W CA -0.426 56.908 57.345 -0.020 0.000 1.252 378 W CB 0.454 29.873 29.460 -0.068 0.000 1.156 378 W HN -0.160 nan 8.180 nan 0.000 0.580 379 L N 5.132 125.967 121.223 -0.647 0.000 2.431 379 L HA 0.382 4.706 4.340 -0.026 0.000 0.266 379 L C 0.429 176.575 176.870 -1.206 0.000 0.978 379 L CA -0.995 53.436 54.840 -0.682 0.000 0.822 379 L CB 2.141 43.994 42.059 -0.342 0.000 1.310 379 L HN 0.499 nan 8.230 nan 0.000 0.409 380 T N -1.222 112.726 114.554 -1.010 0.000 2.902 380 T HA 0.279 4.613 4.350 -0.026 0.000 0.280 380 T C 0.779 175.198 174.700 -0.470 0.000 0.992 380 T CA -0.719 60.838 62.100 -0.905 0.000 1.015 380 T CB 1.626 70.085 68.868 -0.682 0.000 1.044 380 T HN 0.445 nan 8.240 nan 0.000 0.520 381 L N 1.691 122.717 121.223 -0.327 0.000 2.017 381 L HA 0.314 4.638 4.340 -0.026 0.000 0.208 381 L C 1.257 177.997 176.870 -0.215 0.000 1.073 381 L CA 2.573 57.289 54.840 -0.207 0.000 0.745 381 L CB -1.549 40.432 42.059 -0.131 0.000 0.894 381 L HN 1.452 nan 8.230 nan 0.000 0.432 382 G N -1.772 106.875 108.800 -0.255 0.000 2.781 382 G HA2 0.068 4.013 3.960 -0.026 0.000 0.683 382 G HA3 0.068 4.013 3.960 -0.026 0.000 0.683 382 G C -0.204 174.491 174.900 -0.341 0.000 1.390 382 G CA -0.384 44.536 45.100 -0.299 0.000 0.850 382 G HN 0.974 nan 8.290 nan 0.000 0.557 383 A N 1.993 124.480 122.820 -0.555 0.000 2.454 383 A HA 0.688 4.992 4.320 -0.026 0.000 0.260 383 A C -1.208 176.056 177.584 -0.533 0.000 1.106 383 A CA -0.404 51.233 52.037 -0.666 0.000 0.780 383 A CB 0.195 18.451 19.000 -1.240 0.000 1.044 383 A HN 0.794 nan 8.150 nan 0.000 0.498 384 P HA 0.226 nan 4.420 nan 0.000 0.276 384 P C -0.355 176.981 177.300 0.059 0.000 1.235 384 P CA 0.097 63.144 63.100 -0.089 0.000 0.772 384 P CB 1.228 32.872 31.700 -0.094 0.000 0.871 385 A N 3.546 126.440 122.820 0.124 0.000 3.157 385 A HA 0.299 4.604 4.320 -0.026 0.000 0.276 385 A C 0.553 178.141 177.584 0.007 0.000 1.524 385 A CA -0.261 51.859 52.037 0.139 0.000 1.236 385 A CB -0.980 18.101 19.000 0.134 0.000 1.173 385 A HN 0.442 nan 8.150 nan 0.000 0.595 386 T N 2.075 116.602 114.554 -0.044 0.000 2.940 386 T HA 0.121 4.455 4.350 -0.026 0.000 0.309 386 T C 0.655 175.273 174.700 -0.137 0.000 1.056 386 T CA 0.342 62.378 62.100 -0.106 0.000 1.137 386 T CB 0.039 68.806 68.868 -0.168 0.000 0.976 386 T HN 0.699 nan 8.240 nan 0.000 0.547 387 N N 0.544 119.167 118.700 -0.127 0.000 2.747 387 N HA -0.149 4.575 4.740 -0.026 0.000 0.249 387 N C 0.074 175.512 175.510 -0.120 0.000 1.107 387 N CA 1.491 54.449 53.050 -0.154 0.000 0.707 387 N CB -1.630 36.680 38.487 -0.295 0.000 1.054 387 N HN 1.011 nan 8.380 nan 0.000 0.555 388 T N -3.660 110.867 114.554 -0.046 0.000 2.787 388 T HA 0.522 4.857 4.350 -0.026 0.000 0.297 388 T C 0.500 175.210 174.700 0.017 0.000 1.221 388 T CA -0.644 61.458 62.100 0.004 0.000 1.006 388 T CB 1.423 70.282 68.868 -0.015 0.000 1.328 388 T HN 0.039 nan 8.240 nan 0.000 0.509 389 N N -0.219 118.499 118.700 0.030 0.000 2.273 389 N HA 0.156 4.880 4.740 -0.026 0.000 0.231 389 N C -0.988 174.540 175.510 0.030 0.000 1.134 389 N CA -0.358 52.707 53.050 0.025 0.000 0.856 389 N CB 0.005 38.507 38.487 0.025 0.000 1.068 389 N HN 0.523 nan 8.380 nan 0.000 0.510 390 D N 1.312 121.734 120.400 0.036 0.000 2.348 390 D HA 0.264 4.889 4.640 -0.026 0.000 0.249 390 D C 1.017 177.369 176.300 0.087 0.000 1.110 390 D CA -0.400 53.639 54.000 0.065 0.000 0.967 390 D CB 1.934 42.766 40.800 0.053 0.000 1.139 390 D HN 0.296 nan 8.370 nan 0.000 0.466 391 I N -2.380 118.273 120.570 0.139 0.000 2.886 391 I HA 0.409 4.563 4.170 -0.026 0.000 0.299 391 I C -2.359 173.886 176.117 0.214 0.000 1.044 391 I CA -1.945 59.433 61.300 0.131 0.000 1.310 391 I CB 0.157 38.207 38.000 0.085 0.000 1.441 391 I HN -0.036 nan 8.210 nan 0.000 0.578 392 P HA 0.158 nan 4.420 nan 0.000 0.269 392 P C -1.080 176.347 177.300 0.211 0.000 1.217 392 P CA 0.229 63.380 63.100 0.085 0.000 0.783 392 P CB 0.273 31.937 31.700 -0.060 0.000 0.898 393 F N -1.433 118.492 119.950 -0.042 0.000 2.706 393 F HA 0.721 5.230 4.527 -0.029 0.000 0.328 393 F C -0.956 174.782 175.800 -0.102 0.000 1.123 393 F CA -1.270 56.693 58.000 -0.061 0.000 0.978 393 F CB 1.250 40.033 39.000 -0.362 0.000 1.404 393 F HN -0.147 nan 8.300 nan 0.000 0.497 394 K N 1.606 122.019 120.400 0.023 0.000 2.307 394 K HA 0.421 4.725 4.320 -0.026 0.000 0.263 394 K C -2.873 173.733 176.600 0.010 0.000 0.973 394 K CA -1.944 54.263 56.287 -0.133 0.000 0.846 394 K CB 1.547 34.003 32.500 -0.073 0.000 1.100 394 K HN 0.339 nan 8.250 nan 0.000 0.438 395 P HA -0.047 nan 4.420 nan 0.000 0.263 395 P C -2.125 174.974 177.300 -0.335 0.000 1.175 395 P CA -0.668 62.288 63.100 -0.240 0.000 0.761 395 P CB -0.015 31.242 31.700 -0.738 0.000 0.794 396 P HA 0.064 nan 4.420 nan 0.000 0.238 396 P C -1.052 176.532 177.300 0.473 0.000 1.714 396 P CA 0.355 63.637 63.100 0.303 0.000 0.908 396 P CB -0.885 31.020 31.700 0.341 0.000 1.893 397 F N -3.024 116.988 119.950 0.104 0.000 2.693 397 F HA 0.680 5.193 4.527 -0.023 0.000 0.309 397 F C -3.099 172.163 175.800 -0.897 0.000 1.129 397 F CA -3.549 54.095 58.000 -0.594 0.000 0.948 397 F CB -0.002 38.836 39.000 -0.269 0.000 1.315 397 F HN -0.332 nan 8.300 nan 0.000 0.447 398 P HA 0.151 nan 4.420 nan 0.000 0.269 398 P C 0.038 177.269 177.300 -0.114 0.000 1.211 398 P CA 0.760 63.497 63.100 -0.606 0.000 0.781 398 P CB 0.866 32.140 31.700 -0.710 0.000 0.877 399 A N 1.843 124.801 122.820 0.230 0.000 1.874 399 A HA -0.096 4.209 4.320 -0.026 0.000 0.214 399 A C 0.598 178.470 177.584 0.481 0.000 1.189 399 A CA 1.270 53.575 52.037 0.446 0.000 0.615 399 A CB -1.093 18.338 19.000 0.719 0.000 0.830 399 A HN 0.596 nan 8.150 nan 0.000 0.443 400 Y N 2.440 122.928 120.300 0.314 0.000 2.383 400 Y HA 0.446 4.980 4.550 -0.027 0.000 0.344 400 Y C -2.508 173.419 175.900 0.045 0.000 0.986 400 Y CA -2.861 55.319 58.100 0.133 0.000 1.175 400 Y CB 1.203 39.653 38.460 -0.017 0.000 1.152 400 Y HN 0.172 nan 8.280 nan 0.000 0.511 401 P HA 0.139 nan 4.420 nan 0.000 0.284 401 P C -0.922 176.193 177.300 -0.309 0.000 1.287 401 P CA -0.670 62.104 63.100 -0.543 0.000 0.824 401 P CB 1.634 32.962 31.700 -0.620 0.000 1.180 402 S N -0.546 114.902 115.700 -0.421 0.000 2.533 402 S HA 0.222 4.676 4.470 -0.026 0.000 0.282 402 S C 1.774 176.219 174.600 -0.257 0.000 1.304 402 S CA 0.243 58.081 58.200 -0.602 0.000 1.063 402 S CB -0.639 61.981 63.200 -0.967 0.000 0.881 402 S HN 0.567 nan 8.310 nan 0.000 0.493 403 G N 3.235 112.012 108.800 -0.038 0.000 2.402 403 G HA2 -0.157 3.788 3.960 -0.026 0.000 0.216 403 G HA3 -0.157 3.788 3.960 -0.026 0.000 0.216 403 G C 1.137 175.992 174.900 -0.075 0.000 1.162 403 G CA 0.805 45.856 45.100 -0.081 0.000 0.777 403 G HN 0.885 nan 8.290 nan 0.000 0.539 404 H N 0.869 120.045 119.070 0.176 0.000 2.290 404 H HA 0.038 4.579 4.556 -0.025 0.000 0.298 404 H C 2.899 178.273 175.328 0.076 0.000 1.087 404 H CA 1.828 58.069 56.048 0.323 0.000 1.291 404 H CB -0.246 29.668 29.762 0.254 0.000 1.369 404 H HN 0.375 nan 8.280 nan 0.000 0.492 405 A N -0.249 122.578 122.820 0.012 0.000 1.908 405 A HA -0.220 4.085 4.320 -0.026 0.000 0.218 405 A C 2.420 179.887 177.584 -0.196 0.000 1.181 405 A CA 2.277 54.222 52.037 -0.154 0.000 0.627 405 A CB -0.956 17.903 19.000 -0.235 0.000 0.818 405 A HN 0.504 nan 8.150 nan 0.000 0.445 406 T N -0.708 113.714 114.554 -0.220 0.000 2.737 406 T HA -0.070 4.264 4.350 -0.026 0.000 0.265 406 T C 1.630 176.221 174.700 -0.182 0.000 1.038 406 T CA 1.387 63.343 62.100 -0.240 0.000 1.144 406 T CB -0.511 68.189 68.868 -0.279 0.000 0.866 406 T HN 0.470 nan 8.240 nan 0.000 0.434 407 F N 1.577 121.441 119.950 -0.144 0.000 2.095 407 F HA -0.063 4.448 4.527 -0.027 0.000 0.298 407 F C 2.898 178.370 175.800 -0.547 0.000 1.104 407 F CA 0.760 58.607 58.000 -0.254 0.000 1.232 407 F CB -0.650 38.289 39.000 -0.102 0.000 0.987 407 F HN 0.265 nan 8.300 nan 0.000 0.475 408 G N -0.326 108.263 108.800 -0.351 0.000 2.422 408 G HA2 -0.163 3.782 3.960 -0.026 0.000 0.218 408 G HA3 -0.163 3.782 3.960 -0.026 0.000 0.218 408 G C 1.887 176.609 174.900 -0.297 0.000 1.146 408 G CA 0.797 45.592 45.100 -0.507 0.000 0.769 408 G HN 0.489 nan 8.290 nan 0.000 0.547 409 G N 1.002 109.653 108.800 -0.248 0.000 2.418 409 G HA2 0.075 4.019 3.960 -0.026 0.000 0.217 409 G HA3 0.075 4.019 3.960 -0.026 0.000 0.217 409 G C 2.011 176.803 174.900 -0.179 0.000 1.158 409 G CA 1.532 46.498 45.100 -0.222 0.000 0.771 409 G HN 0.619 nan 8.290 nan 0.000 0.545 410 A N 0.136 122.837 122.820 -0.199 0.000 1.855 410 A HA 0.130 4.434 4.320 -0.026 0.000 0.215 410 A C 2.602 180.049 177.584 -0.229 0.000 1.191 410 A CA 1.725 53.661 52.037 -0.167 0.000 0.613 410 A CB -0.751 18.174 19.000 -0.125 0.000 0.829 410 A HN 0.225 nan 8.150 nan 0.000 0.442 411 V N -1.018 118.650 119.914 -0.411 0.000 2.287 411 V HA -0.265 3.839 4.120 -0.026 0.000 0.248 411 V C 2.308 178.075 176.094 -0.545 0.000 1.053 411 V CA 2.188 64.130 62.300 -0.598 0.000 1.027 411 V CB -0.934 30.270 31.823 -1.033 0.000 0.646 411 V HN 0.616 nan 8.190 nan 0.000 0.447 412 F N -0.721 119.117 119.950 -0.187 0.000 2.512 412 F HA -0.045 4.466 4.527 -0.027 0.000 0.296 412 F C 2.457 178.235 175.800 -0.037 0.000 1.110 412 F CA 0.830 58.759 58.000 -0.118 0.000 1.446 412 F CB -0.113 38.794 39.000 -0.154 0.000 1.092 412 F HN 0.149 nan 8.300 nan 0.000 0.554 413 Q N 0.555 120.402 119.800 0.079 0.000 2.187 413 Q HA -0.142 4.182 4.340 -0.026 0.000 0.199 413 Q C 2.016 178.039 176.000 0.038 0.000 0.957 413 Q CA 1.292 57.153 55.803 0.097 0.000 0.857 413 Q CB -0.199 28.575 28.738 0.060 0.000 0.929 413 Q HN 0.328 nan 8.270 nan 0.000 0.453 414 M N -1.013 118.577 119.600 -0.017 0.000 2.132 414 M HA -0.052 4.412 4.480 -0.026 0.000 0.263 414 M C 1.665 177.974 176.300 0.015 0.000 1.065 414 M CA 1.248 56.526 55.300 -0.037 0.000 1.122 414 M CB -0.355 32.205 32.600 -0.066 0.000 1.365 414 M HN 0.107 nan 8.290 nan 0.000 0.411 415 V N 0.064 120.023 119.914 0.076 0.000 2.343 415 V HA -0.278 3.826 4.120 -0.026 0.000 0.247 415 V C 2.399 178.711 176.094 0.363 0.000 1.051 415 V CA 1.963 64.409 62.300 0.243 0.000 1.036 415 V CB -0.698 31.284 31.823 0.264 0.000 0.654 415 V HN 0.458 nan 8.190 nan 0.000 0.451 416 R N -0.602 120.059 120.500 0.267 0.000 2.092 416 R HA -0.074 4.250 4.340 -0.026 0.000 0.231 416 R C 2.573 179.076 176.300 0.337 0.000 1.119 416 R CA 1.043 57.366 56.100 0.371 0.000 0.970 416 R CB -0.249 30.217 30.300 0.277 0.000 0.864 416 R HN 0.349 nan 8.270 nan 0.000 0.440 417 R N -0.452 120.046 120.500 -0.003 0.000 2.073 417 R HA -0.117 4.208 4.340 -0.026 0.000 0.229 417 R C 1.992 178.021 176.300 -0.452 0.000 1.120 417 R CA 1.243 57.084 56.100 -0.431 0.000 0.967 417 R CB -0.742 28.913 30.300 -1.075 0.000 0.862 417 R HN 0.320 nan 8.270 nan 0.000 0.436 418 Y N 0.069 120.163 120.300 -0.344 0.000 2.242 418 Y HA -0.208 4.327 4.550 -0.026 0.000 0.291 418 Y C 1.285 177.057 175.900 -0.213 0.000 1.137 418 Y CA 1.516 59.506 58.100 -0.182 0.000 1.181 418 Y CB -0.123 38.220 38.460 -0.195 0.000 0.989 418 Y HN 0.003 nan 8.280 nan 0.000 0.527 419 Y N -0.797 119.575 120.300 0.121 0.000 2.457 419 Y HA 0.115 4.649 4.550 -0.026 0.000 0.263 419 Y C 0.654 176.518 175.900 -0.061 0.000 1.164 419 Y CA -0.352 57.788 58.100 0.066 0.000 1.274 419 Y CB -0.186 38.381 38.460 0.179 0.000 1.097 419 Y HN -0.057 nan 8.280 nan 0.000 0.523 420 N N 0.928 119.547 118.700 -0.135 0.000 2.447 420 N HA 0.139 4.864 4.740 -0.026 0.000 0.263 420 N C 1.073 176.282 175.510 -0.501 0.000 1.226 420 N CA 1.503 54.080 53.050 -0.788 0.000 0.906 420 N CB 0.781 38.761 38.487 -0.845 0.000 1.060 420 N HN 0.556 nan 8.380 nan 0.000 0.468 421 G N 3.209 111.701 108.800 -0.514 0.000 2.217 421 G HA2 -0.298 3.646 3.960 -0.026 0.000 0.246 421 G HA3 -0.298 3.646 3.960 -0.026 0.000 0.246 421 G C 1.036 175.860 174.900 -0.127 0.000 0.990 421 G CA 0.562 45.504 45.100 -0.265 0.000 0.627 421 G HN 0.649 nan 8.290 nan 0.000 0.522 422 R N -0.423 120.030 120.500 -0.079 0.000 2.167 422 R HA 0.465 4.790 4.340 -0.026 0.000 0.201 422 R C 2.072 178.427 176.300 0.092 0.000 1.024 422 R CA 1.283 57.403 56.100 0.033 0.000 1.053 422 R CB 0.201 30.546 30.300 0.075 0.000 0.987 422 R HN 0.353 nan 8.270 nan 0.000 0.493 423 V N -0.478 119.496 119.914 0.099 0.000 3.523 423 V HA 0.410 4.514 4.120 -0.026 0.000 0.255 423 V C 0.707 176.887 176.094 0.143 0.000 1.226 423 V CA 0.829 63.170 62.300 0.068 0.000 1.092 423 V CB 1.169 32.897 31.823 -0.158 0.000 0.817 423 V HN 0.543 nan 8.190 nan 0.000 0.458 424 G N -0.094 108.813 108.800 0.179 0.000 2.427 424 G HA2 0.506 4.450 3.960 -0.026 0.000 0.306 424 G HA3 0.506 4.450 3.960 -0.026 0.000 0.306 424 G C -0.958 173.913 174.900 -0.048 0.000 1.280 424 G CA 0.310 45.531 45.100 0.202 0.000 0.837 424 G HN 0.165 nan 8.290 nan 0.000 0.482 425 T N -2.206 112.354 114.554 0.010 0.000 2.916 425 T HA 0.761 5.095 4.350 -0.026 0.000 0.298 425 T C -1.079 173.614 174.700 -0.011 0.000 1.031 425 T CA -0.463 61.483 62.100 -0.257 0.000 0.993 425 T CB 1.666 70.443 68.868 -0.152 0.000 1.045 425 T HN 1.808 nan 8.240 nan 0.000 0.454 426 W N 0.234 121.494 121.300 -0.067 0.000 3.066 426 W HA 0.782 5.427 4.660 -0.025 0.000 0.330 426 W C -1.530 174.932 176.519 -0.095 0.000 1.253 426 W CA -1.345 55.943 57.345 -0.096 0.000 1.187 426 W CB 0.630 30.010 29.460 -0.133 0.000 1.434 426 W HN 0.597 nan 8.180 nan 0.000 0.572 427 K N 1.703 122.160 120.400 0.095 0.000 2.326 427 K HA 0.105 4.410 4.320 -0.026 0.000 0.275 427 K C 0.801 177.474 176.600 0.120 0.000 1.018 427 K CA -0.051 56.252 56.287 0.026 0.000 0.962 427 K CB 0.470 32.973 32.500 0.005 0.000 0.953 427 K HN 0.411 nan 8.250 nan 0.000 0.475 428 D N 1.481 121.922 120.400 0.068 0.000 2.311 428 D HA -0.154 4.470 4.640 -0.026 0.000 0.212 428 D C 0.422 176.793 176.300 0.118 0.000 0.972 428 D CA 1.206 55.284 54.000 0.129 0.000 0.887 428 D CB 0.135 40.972 40.800 0.060 0.000 0.915 428 D HN 0.608 nan 8.370 nan 0.000 0.497 429 D N -0.371 120.056 120.400 0.045 0.000 2.402 429 D HA 0.043 4.667 4.640 -0.026 0.000 0.216 429 D C 0.251 176.404 176.300 -0.243 0.000 1.128 429 D CA -0.064 53.953 54.000 0.028 0.000 0.833 429 D CB 0.130 40.986 40.800 0.094 0.000 0.971 429 D HN 0.113 nan 8.370 nan 0.000 0.503 430 E N 0.992 120.968 120.200 -0.373 0.000 2.320 430 E HA 0.382 4.716 4.350 -0.026 0.000 0.264 430 E C -2.600 173.426 176.600 -0.956 0.000 0.923 430 E CA -2.497 53.529 56.400 -0.623 0.000 0.796 430 E CB 1.875 31.415 29.700 -0.266 0.000 1.262 430 E HN -0.048 nan 8.360 nan 0.000 0.428 431 P HA -0.088 nan 4.420 nan 0.000 0.264 431 P C -0.803 176.076 177.300 -0.702 0.000 1.193 431 P CA 0.419 62.934 63.100 -0.974 0.000 0.763 431 P CB 0.526 31.831 31.700 -0.659 0.000 0.810 432 D N 2.964 122.801 120.400 -0.938 0.000 2.507 432 D HA 0.067 4.691 4.640 -0.026 0.000 0.280 432 D C 0.398 176.298 176.300 -0.665 0.000 1.219 432 D CA -0.382 52.747 54.000 -1.452 0.000 1.085 432 D CB 0.483 40.005 40.800 -2.130 0.000 1.134 432 D HN 0.348 nan 8.370 nan 0.000 0.583 433 N N -0.599 117.758 118.700 -0.572 0.000 2.451 433 N HA 0.100 4.825 4.740 -0.026 0.000 0.271 433 N C -0.496 174.917 175.510 -0.162 0.000 1.410 433 N CA -0.384 52.547 53.050 -0.199 0.000 0.884 433 N CB -0.259 38.212 38.487 -0.027 0.000 1.332 433 N HN 0.372 nan 8.380 nan 0.000 0.498 434 I N 1.556 121.962 120.570 -0.273 0.000 2.352 434 I HA 0.205 4.360 4.170 -0.026 0.000 0.303 434 I C 0.678 176.797 176.117 0.003 0.000 1.194 434 I CA -0.368 60.797 61.300 -0.225 0.000 1.518 434 I CB -0.123 37.709 38.000 -0.280 0.000 1.489 434 I HN 0.161 nan 8.210 nan 0.000 0.702 435 A N 7.878 130.780 122.820 0.138 0.000 2.340 435 A HA 0.822 5.127 4.320 -0.026 0.000 0.268 435 A C -0.146 177.593 177.584 0.259 0.000 1.100 435 A CA -0.354 51.802 52.037 0.198 0.000 0.803 435 A CB 0.646 19.748 19.000 0.170 0.000 1.043 435 A HN 0.745 nan 8.150 nan 0.000 0.488 436 I N -1.204 119.513 120.570 0.246 0.000 2.894 436 I HA 0.830 4.984 4.170 -0.026 0.000 0.302 436 I C -1.473 174.783 176.117 0.232 0.000 1.188 436 I CA -1.069 60.361 61.300 0.218 0.000 1.014 436 I CB 2.750 40.884 38.000 0.223 0.000 1.242 436 I HN 0.660 nan 8.210 nan 0.000 0.430 437 D N 3.246 123.750 120.400 0.174 0.000 2.614 437 D HA 0.569 5.193 4.640 -0.026 0.000 0.264 437 D C -0.085 176.306 176.300 0.151 0.000 1.092 437 D CA -0.993 53.108 54.000 0.168 0.000 1.071 437 D CB 1.292 42.157 40.800 0.108 0.000 1.443 437 D HN 0.803 nan 8.370 nan 0.000 0.528 438 M N -1.682 117.998 119.600 0.133 0.000 2.393 438 M HA -0.232 4.233 4.480 -0.026 0.000 0.201 438 M C -0.721 175.667 176.300 0.147 0.000 0.403 438 M CA 0.306 55.675 55.300 0.115 0.000 0.471 438 M CB -1.223 31.426 32.600 0.081 0.000 1.669 438 M HN 0.529 nan 8.290 nan 0.000 0.864 439 M N 1.140 120.866 119.600 0.209 0.000 2.080 439 M HA 0.561 5.025 4.480 -0.026 0.000 0.350 439 M C -0.731 175.775 176.300 0.343 0.000 1.173 439 M CA 0.089 55.561 55.300 0.288 0.000 1.052 439 M CB 0.583 33.428 32.600 0.410 0.000 1.577 439 M HN 0.238 nan 8.290 nan 0.000 0.455 440 I N 2.860 123.583 120.570 0.255 0.000 2.404 440 I HA 0.363 4.517 4.170 -0.026 0.000 0.293 440 I C -0.186 175.963 176.117 0.052 0.000 0.992 440 I CA -0.669 60.741 61.300 0.184 0.000 1.149 440 I CB 2.035 40.089 38.000 0.091 0.000 1.315 440 I HN 0.632 nan 8.210 nan 0.000 0.446 441 S N 4.003 119.557 115.700 -0.244 0.000 2.554 441 S HA 0.221 4.675 4.470 -0.026 0.000 0.278 441 S C 0.896 175.259 174.600 -0.394 0.000 1.242 441 S CA -0.432 57.348 58.200 -0.700 0.000 1.051 441 S CB 1.014 63.353 63.200 -1.436 0.000 0.986 441 S HN 0.675 nan 8.310 nan 0.000 0.502 442 E N 1.998 121.977 120.200 -0.368 0.000 2.409 442 E HA -0.079 4.255 4.350 -0.026 0.000 0.198 442 E C 1.155 177.519 176.600 -0.393 0.000 1.024 442 E CA 0.544 56.742 56.400 -0.338 0.000 0.861 442 E CB 0.152 29.638 29.700 -0.357 0.000 0.788 442 E HN 0.635 nan 8.360 nan 0.000 0.521 443 E N -0.074 119.846 120.200 -0.466 0.000 2.285 443 E HA -0.028 4.306 4.350 -0.026 0.000 0.194 443 E C 0.539 177.008 176.600 -0.219 0.000 0.997 443 E CA 0.665 56.854 56.400 -0.351 0.000 0.845 443 E CB 0.400 29.902 29.700 -0.330 0.000 0.782 443 E HN 0.247 nan 8.360 nan 0.000 0.491 444 L N 2.231 123.338 121.223 -0.194 0.000 2.511 444 L HA 0.191 4.516 4.340 -0.026 0.000 0.252 444 L C 0.113 176.947 176.870 -0.061 0.000 1.542 444 L CA -0.351 54.435 54.840 -0.091 0.000 0.822 444 L CB 0.528 42.573 42.059 -0.023 0.000 1.050 444 L HN -0.074 nan 8.230 nan 0.000 0.516 445 N N -0.285 118.368 118.700 -0.079 0.000 2.200 445 N HA 0.132 4.857 4.740 -0.026 0.000 0.224 445 N C 1.032 176.520 175.510 -0.036 0.000 1.179 445 N CA 0.279 53.298 53.050 -0.052 0.000 0.877 445 N CB 1.062 39.505 38.487 -0.074 0.000 1.072 445 N HN 0.360 nan 8.380 nan 0.000 0.519 446 G N -0.536 108.244 108.800 -0.034 0.000 2.155 446 G HA2 -0.285 3.659 3.960 -0.026 0.000 0.257 446 G HA3 -0.285 3.659 3.960 -0.026 0.000 0.257 446 G C 0.409 175.291 174.900 -0.030 0.000 0.983 446 G CA 0.742 45.827 45.100 -0.025 0.000 0.676 446 G HN 0.320 nan 8.290 nan 0.000 0.528 447 V N -0.649 119.238 119.914 -0.045 0.000 3.102 447 V HA 0.215 4.320 4.120 -0.026 0.000 0.225 447 V C 1.348 177.409 176.094 -0.055 0.000 1.301 447 V CA 0.588 62.862 62.300 -0.044 0.000 1.308 447 V CB -0.133 31.663 31.823 -0.045 0.000 1.129 447 V HN 0.321 nan 8.190 nan 0.000 0.502 448 N N 2.671 121.322 118.700 -0.082 0.000 2.371 448 N HA 0.338 5.063 4.740 -0.026 0.000 0.243 448 N C -0.088 175.372 175.510 -0.082 0.000 1.287 448 N CA 0.214 53.204 53.050 -0.100 0.000 0.911 448 N CB 0.515 38.909 38.487 -0.156 0.000 1.142 448 N HN 0.487 nan 8.380 nan 0.000 0.451 449 R N -0.590 119.863 120.500 -0.078 0.000 2.756 449 R HA 0.361 4.685 4.340 -0.026 0.000 0.273 449 R C -1.893 174.375 176.300 -0.052 0.000 1.030 449 R CA -0.716 55.350 56.100 -0.057 0.000 0.887 449 R CB 0.698 30.978 30.300 -0.034 0.000 1.274 449 R HN 0.272 nan 8.270 nan 0.000 0.461 450 D N 1.986 122.364 120.400 -0.037 0.000 2.412 450 D HA 0.342 4.966 4.640 -0.026 0.000 0.224 450 D C 0.166 176.459 176.300 -0.012 0.000 1.093 450 D CA -0.350 53.634 54.000 -0.027 0.000 0.850 450 D CB 1.363 42.147 40.800 -0.027 0.000 1.046 450 D HN 0.247 nan 8.370 nan 0.000 0.507 451 L N 1.542 122.765 121.223 0.000 0.000 2.473 451 L HA 0.225 4.550 4.340 -0.026 0.000 0.268 451 L C 1.943 178.820 176.870 0.011 0.000 1.215 451 L CA -0.217 54.631 54.840 0.014 0.000 0.823 451 L CB 1.063 43.147 42.059 0.040 0.000 1.099 451 L HN 0.189 nan 8.230 nan 0.000 0.483 452 R N 0.657 121.162 120.500 0.009 0.000 2.334 452 R HA 0.072 4.396 4.340 -0.026 0.000 0.216 452 R C -0.309 175.995 176.300 0.007 0.000 0.905 452 R CA 0.056 56.159 56.100 0.005 0.000 1.064 452 R CB 0.432 30.732 30.300 -0.000 0.000 1.046 452 R HN 0.621 nan 8.270 nan 0.000 0.508 453 Q N -0.457 119.351 119.800 0.013 0.000 2.590 453 Q HA 0.416 4.741 4.340 -0.026 0.000 0.295 453 Q C -3.162 172.853 176.000 0.024 0.000 0.973 453 Q CA -2.733 53.077 55.803 0.011 0.000 0.768 453 Q CB 0.998 29.737 28.738 0.001 0.000 1.479 453 Q HN -0.269 nan 8.270 nan 0.000 0.419 454 P HA -0.027 nan 4.420 nan 0.000 0.266 454 P C -0.860 176.474 177.300 0.057 0.000 1.193 454 P CA 0.110 63.234 63.100 0.040 0.000 0.770 454 P CB 0.003 31.713 31.700 0.016 0.000 0.836 455 Y N 2.430 122.715 120.300 -0.024 0.000 2.497 455 Y HA 0.135 4.668 4.550 -0.027 0.000 0.334 455 Y C 0.179 176.063 175.900 -0.026 0.000 1.199 455 Y CA -0.113 57.971 58.100 -0.028 0.000 1.425 455 Y CB 0.136 38.576 38.460 -0.033 0.000 1.291 455 Y HN 0.256 nan 8.280 nan 0.000 0.562 456 D N 8.078 128.024 120.400 -0.755 0.000 2.414 456 D HA 0.275 4.899 4.640 -0.026 0.000 0.232 456 D C -2.158 173.535 176.300 -1.012 0.000 1.070 456 D CA -2.604 51.009 54.000 -0.644 0.000 0.839 456 D CB 1.622 42.235 40.800 -0.310 0.000 1.079 456 D HN 0.404 nan 8.370 nan 0.000 0.521 457 P HA -0.026 nan 4.420 nan 0.000 0.242 457 P C 0.788 177.970 177.300 -0.196 0.000 1.197 457 P CA 0.592 63.419 63.100 -0.454 0.000 0.765 457 P CB 0.068 31.669 31.700 -0.164 0.000 0.936 458 T N -4.354 110.082 114.554 -0.195 0.000 3.054 458 T HA 0.506 4.841 4.350 -0.026 0.000 0.255 458 T C 0.722 175.370 174.700 -0.087 0.000 1.035 458 T CA -0.239 61.798 62.100 -0.105 0.000 0.941 458 T CB 0.046 68.862 68.868 -0.087 0.000 1.026 458 T HN 0.043 nan 8.240 nan 0.000 0.533 459 A N 2.598 125.349 122.820 -0.115 0.000 2.365 459 A HA 0.796 5.101 4.320 -0.026 0.000 0.318 459 A C -2.871 174.698 177.584 -0.025 0.000 1.091 459 A CA -2.278 49.718 52.037 -0.068 0.000 0.763 459 A CB 1.212 20.166 19.000 -0.076 0.000 1.248 459 A HN 0.170 nan 8.150 nan 0.000 0.442 460 P HA 0.045 nan 4.420 nan 0.000 0.269 460 P C 0.806 178.130 177.300 0.041 0.000 1.209 460 P CA -0.130 62.984 63.100 0.024 0.000 0.776 460 P CB 0.687 32.392 31.700 0.009 0.000 0.876 461 I N 2.384 122.996 120.570 0.070 0.000 2.335 461 I HA -0.254 3.901 4.170 -0.026 0.000 0.251 461 I C 1.841 177.978 176.117 0.032 0.000 1.129 461 I CA 1.740 63.087 61.300 0.078 0.000 1.402 461 I CB -0.613 37.419 38.000 0.054 0.000 1.069 461 I HN 0.322 nan 8.210 nan 0.000 0.424 462 E N 0.189 120.398 120.200 0.014 0.000 2.265 462 E HA -0.185 4.149 4.350 -0.026 0.000 0.196 462 E C 1.066 177.667 176.600 0.001 0.000 0.996 462 E CA 1.177 57.578 56.400 0.002 0.000 0.832 462 E CB -0.147 29.552 29.700 -0.002 0.000 0.756 462 E HN 0.477 nan 8.360 nan 0.000 0.491 463 D N 0.110 120.512 120.400 0.003 0.000 2.342 463 D HA 0.045 4.669 4.640 -0.026 0.000 0.221 463 D C -0.403 175.895 176.300 -0.004 0.000 1.101 463 D CA 0.220 54.218 54.000 -0.004 0.000 0.837 463 D CB 0.208 41.002 40.800 -0.010 0.000 0.938 463 D HN 0.202 nan 8.370 nan 0.000 0.508 464 Q N 0.885 120.689 119.800 0.005 0.000 2.331 464 Q HA 0.403 4.727 4.340 -0.026 0.000 0.267 464 Q C -2.542 173.463 176.000 0.008 0.000 1.006 464 Q CA -1.993 53.815 55.803 0.008 0.000 0.818 464 Q CB 2.153 30.910 28.738 0.031 0.000 1.276 464 Q HN -0.122 nan 8.270 nan 0.000 0.450 465 P HA 0.193 nan 4.420 nan 0.000 0.268 465 P C -0.316 176.986 177.300 0.003 0.000 1.204 465 P CA 0.248 63.348 63.100 0.000 0.000 0.768 465 P CB 0.778 32.476 31.700 -0.003 0.000 0.842 466 G N 1.608 110.407 108.800 -0.002 0.000 2.320 466 G HA2 0.331 4.275 3.960 -0.026 0.000 0.296 466 G HA3 0.331 4.275 3.960 -0.026 0.000 0.296 466 G C -1.708 173.186 174.900 -0.010 0.000 1.306 466 G CA -0.757 44.341 45.100 -0.004 0.000 0.836 466 G HN 0.373 nan 8.290 nan 0.000 0.517 467 I N 1.303 121.865 120.570 -0.014 0.000 2.304 467 I HA 0.315 4.469 4.170 -0.026 0.000 0.291 467 I C 0.382 176.485 176.117 -0.024 0.000 1.018 467 I CA -0.798 60.492 61.300 -0.018 0.000 1.260 467 I CB 1.456 39.444 38.000 -0.019 0.000 1.390 467 I HN 0.155 nan 8.210 nan 0.000 0.475 468 V N 7.078 126.979 119.914 -0.022 0.000 2.637 468 V HA 0.158 4.262 4.120 -0.026 0.000 0.296 468 V C 0.809 176.884 176.094 -0.032 0.000 1.046 468 V CA -0.631 61.653 62.300 -0.028 0.000 1.066 468 V CB 0.417 32.227 31.823 -0.022 0.000 0.968 468 V HN 0.609 nan 8.190 nan 0.000 0.483 469 R N 2.726 123.199 120.500 -0.044 0.000 2.401 469 R HA 0.211 4.535 4.340 -0.026 0.000 0.299 469 R C 0.282 176.562 176.300 -0.034 0.000 1.064 469 R CA -0.131 55.941 56.100 -0.048 0.000 1.000 469 R CB 0.334 30.590 30.300 -0.073 0.000 0.973 469 R HN 0.729 nan 8.270 nan 0.000 0.438 470 T N 3.444 117.986 114.554 -0.020 0.000 2.934 470 T HA -0.030 4.304 4.350 -0.026 0.000 0.306 470 T C 0.824 175.527 174.700 0.003 0.000 1.042 470 T CA 0.204 62.302 62.100 -0.003 0.000 1.145 470 T CB 0.430 69.305 68.868 0.011 0.000 0.982 470 T HN 0.295 nan 8.240 nan 0.000 0.544 471 R N 3.190 123.697 120.500 0.012 0.000 2.248 471 R HA 0.371 4.696 4.340 -0.026 0.000 0.328 471 R C -0.747 175.584 176.300 0.052 0.000 1.067 471 R CA -0.209 55.904 56.100 0.022 0.000 0.924 471 R CB 0.001 30.310 30.300 0.015 0.000 1.013 471 R HN 0.597 nan 8.270 nan 0.000 0.454 472 I N 5.550 126.167 120.570 0.078 0.000 2.410 472 I HA 0.221 4.375 4.170 -0.026 0.000 0.286 472 I C -0.608 175.593 176.117 0.141 0.000 1.009 472 I CA -1.113 60.258 61.300 0.117 0.000 1.111 472 I CB 2.027 40.106 38.000 0.131 0.000 1.262 472 I HN 0.304 nan 8.210 nan 0.000 0.443 473 V N 6.811 126.791 119.914 0.110 0.000 2.432 473 V HA 0.465 4.569 4.120 -0.026 0.000 0.275 473 V C 0.313 176.448 176.094 0.069 0.000 1.043 473 V CA -0.618 61.746 62.300 0.107 0.000 0.925 473 V CB 1.031 32.903 31.823 0.081 0.000 0.985 473 V HN 0.619 nan 8.190 nan 0.000 0.466 474 R N 3.404 123.929 120.500 0.042 0.000 2.787 474 R HA 0.598 4.923 4.340 -0.026 0.000 0.271 474 R C -0.517 175.688 176.300 -0.157 0.000 0.993 474 R CA -0.627 55.357 56.100 -0.193 0.000 0.993 474 R CB 2.058 32.074 30.300 -0.473 0.000 1.155 474 R HN 0.996 nan 8.270 nan 0.000 0.486 475 H N -0.529 118.334 119.070 -0.345 0.000 2.768 475 H HA 0.565 5.106 4.556 -0.025 0.000 0.371 475 H C -1.274 173.810 175.328 -0.407 0.000 1.151 475 H CA -0.635 55.296 56.048 -0.194 0.000 1.165 475 H CB 1.564 31.277 29.762 -0.081 0.000 1.722 475 H HN 0.306 nan 8.280 nan 0.000 0.543 476 F N 0.655 120.713 119.950 0.180 0.000 2.576 476 F HA 0.195 4.706 4.527 -0.027 0.000 0.313 476 F C 0.739 176.630 175.800 0.152 0.000 1.078 476 F CA -0.777 57.296 58.000 0.122 0.000 0.921 476 F CB 2.173 41.216 39.000 0.071 0.000 1.232 476 F HN 0.530 nan 8.300 nan 0.000 0.459 477 D N 0.240 120.823 120.400 0.304 0.000 2.305 477 D HA 0.044 4.669 4.640 -0.026 0.000 0.206 477 D C 0.268 176.630 176.300 0.104 0.000 0.974 477 D CA 0.841 54.950 54.000 0.182 0.000 0.871 477 D CB 0.471 41.355 40.800 0.139 0.000 0.947 477 D HN 0.426 nan 8.370 nan 0.000 0.516 478 S N -1.511 114.249 115.700 0.100 0.000 2.615 478 S HA 0.583 5.037 4.470 -0.026 0.000 0.269 478 S C 0.416 174.985 174.600 -0.051 0.000 1.161 478 S CA -0.349 57.843 58.200 -0.015 0.000 0.817 478 S CB 1.721 64.902 63.200 -0.032 0.000 1.131 478 S HN -0.086 nan 8.310 nan 0.000 0.467 479 A N 0.363 123.111 122.820 -0.119 0.000 2.119 479 A HA 0.136 4.441 4.320 -0.026 0.000 0.216 479 A C 1.527 179.057 177.584 -0.091 0.000 1.152 479 A CA 0.519 52.442 52.037 -0.190 0.000 0.708 479 A CB -0.860 18.104 19.000 -0.060 0.000 0.805 479 A HN 0.888 nan 8.150 nan 0.000 0.460 480 W N 0.646 121.825 121.300 -0.201 0.000 2.381 480 W HA -0.137 4.508 4.660 -0.025 0.000 0.301 480 W C 1.913 178.399 176.519 -0.056 0.000 1.205 480 W CA 1.686 58.966 57.345 -0.109 0.000 1.285 480 W CB 0.041 29.422 29.460 -0.131 0.000 1.133 480 W HN 0.603 nan 8.180 nan 0.000 0.521 481 E N 0.489 120.751 120.200 0.103 0.000 2.072 481 E HA -0.220 4.114 4.350 -0.026 0.000 0.191 481 E C 2.394 178.969 176.600 -0.042 0.000 0.985 481 E CA 1.275 57.743 56.400 0.113 0.000 0.801 481 E CB -0.513 29.324 29.700 0.228 0.000 0.750 481 E HN 0.236 nan 8.360 nan 0.000 0.452 482 L N 0.618 121.655 121.223 -0.309 0.000 1.990 482 L HA -0.260 4.065 4.340 -0.026 0.000 0.213 482 L C 2.918 179.381 176.870 -0.679 0.000 1.072 482 L CA 1.777 56.211 54.840 -0.677 0.000 0.755 482 L CB -0.514 40.808 42.059 -1.229 0.000 0.889 482 L HN 0.362 nan 8.230 nan 0.000 0.432 483 M N -0.892 118.404 119.600 -0.507 0.000 2.082 483 M HA -0.300 4.164 4.480 -0.026 0.000 0.258 483 M C 2.344 178.453 176.300 -0.318 0.000 1.069 483 M CA 2.086 57.207 55.300 -0.297 0.000 1.102 483 M CB -0.223 32.243 32.600 -0.223 0.000 1.336 483 M HN 0.201 nan 8.290 nan 0.000 0.404 484 F N 0.969 120.675 119.950 -0.407 0.000 2.084 484 F HA -0.184 4.328 4.527 -0.024 0.000 0.296 484 F C 2.288 177.874 175.800 -0.356 0.000 1.111 484 F CA 2.284 60.090 58.000 -0.323 0.000 1.224 484 F CB -0.664 38.183 39.000 -0.255 0.000 0.991 484 F HN 0.282 nan 8.300 nan 0.000 0.471 485 E N -0.070 119.849 120.200 -0.467 0.000 2.077 485 E HA -0.291 4.043 4.350 -0.026 0.000 0.193 485 E C 2.054 178.107 176.600 -0.912 0.000 0.989 485 E CA 1.273 57.338 56.400 -0.559 0.000 0.800 485 E CB -0.364 29.341 29.700 0.008 0.000 0.746 485 E HN 0.483 nan 8.360 nan 0.000 0.452 486 N N 0.361 118.243 118.700 -1.362 0.000 2.061 486 N HA -0.210 4.515 4.740 -0.026 0.000 0.193 486 N C 1.608 176.733 175.510 -0.642 0.000 1.030 486 N CA 2.074 54.237 53.050 -1.478 0.000 0.856 486 N CB -0.262 37.543 38.487 -1.137 0.000 1.023 486 N HN 0.204 nan 8.380 nan 0.000 0.424 487 A N 0.879 123.371 122.820 -0.546 0.000 1.873 487 A HA -0.045 4.259 4.320 -0.026 0.000 0.215 487 A C 2.287 179.587 177.584 -0.474 0.000 1.186 487 A CA 1.529 53.324 52.037 -0.404 0.000 0.616 487 A CB -1.055 17.741 19.000 -0.341 0.000 0.823 487 A HN 0.597 nan 8.150 nan 0.000 0.442 488 I N -1.051 119.095 120.570 -0.706 0.000 3.001 488 I HA -0.106 4.048 4.170 -0.026 0.000 0.268 488 I C 2.133 177.711 176.117 -0.900 0.000 1.267 488 I CA 1.523 62.318 61.300 -0.842 0.000 1.472 488 I CB -0.493 36.759 38.000 -1.247 0.000 1.089 488 I HN 0.309 nan 8.210 nan 0.000 0.468 489 S N 2.033 117.393 115.700 -0.567 0.000 2.400 489 S HA -0.141 4.314 4.470 -0.026 0.000 0.232 489 S C 2.047 176.526 174.600 -0.202 0.000 1.025 489 S CA 0.692 58.752 58.200 -0.234 0.000 0.993 489 S CB -0.447 62.780 63.200 0.044 0.000 0.808 489 S HN 0.493 nan 8.310 nan 0.000 0.478 490 R N 0.946 121.301 120.500 -0.242 0.000 2.235 490 R HA 0.305 4.629 4.340 -0.026 0.000 0.213 490 R C 2.083 178.304 176.300 -0.130 0.000 1.059 490 R CA 0.665 56.682 56.100 -0.138 0.000 0.997 490 R CB -0.964 29.340 30.300 0.007 0.000 0.884 490 R HN 0.540 nan 8.270 nan 0.000 0.462 491 I N -0.328 120.098 120.570 -0.240 0.000 2.406 491 I HA -0.140 4.014 4.170 -0.026 0.000 0.249 491 I C 1.747 177.838 176.117 -0.043 0.000 1.122 491 I CA 1.038 62.233 61.300 -0.175 0.000 1.431 491 I CB -0.220 37.641 38.000 -0.232 0.000 1.087 491 I HN -0.007 nan 8.210 nan 0.000 0.424 492 F N 0.455 120.386 119.950 -0.031 0.000 2.293 492 F HA -0.128 4.383 4.527 -0.026 0.000 0.300 492 F C 2.143 177.907 175.800 -0.059 0.000 1.086 492 F CA 0.511 58.494 58.000 -0.028 0.000 1.375 492 F CB -0.120 38.847 39.000 -0.056 0.000 1.045 492 F HN 0.003 nan 8.300 nan 0.000 0.516 493 L N -0.379 120.885 121.223 0.069 0.000 2.492 493 L HA 0.150 4.475 4.340 -0.026 0.000 0.223 493 L C 1.816 178.618 176.870 -0.113 0.000 1.132 493 L CA 0.733 55.542 54.840 -0.051 0.000 0.850 493 L CB -0.789 41.198 42.059 -0.119 0.000 0.966 493 L HN 0.387 nan 8.230 nan 0.000 0.454 494 G N 0.353 109.111 108.800 -0.070 0.000 2.143 494 G HA2 -0.286 3.659 3.960 -0.026 0.000 0.248 494 G HA3 -0.286 3.659 3.960 -0.026 0.000 0.248 494 G C 0.810 175.585 174.900 -0.208 0.000 0.991 494 G CA 0.535 45.592 45.100 -0.072 0.000 0.689 494 G HN 0.322 nan 8.290 nan 0.000 0.522 495 V N -3.942 115.806 119.914 -0.276 0.000 3.590 495 V HA 0.437 4.541 4.120 -0.026 0.000 0.265 495 V C 0.800 176.515 176.094 -0.631 0.000 1.239 495 V CA 0.746 62.790 62.300 -0.426 0.000 1.117 495 V CB -0.084 31.469 31.823 -0.449 0.000 0.818 495 V HN 0.420 nan 8.190 nan 0.000 0.451 496 H N -1.402 117.519 119.070 -0.249 0.000 2.768 496 H HA 0.422 4.963 4.556 -0.024 0.000 0.371 496 H C -1.365 173.782 175.328 -0.302 0.000 1.151 496 H CA -1.210 54.705 56.048 -0.221 0.000 1.165 496 H CB 1.384 31.073 29.762 -0.121 0.000 1.722 496 H HN 0.368 nan 8.280 nan 0.000 0.543 497 W N 2.588 123.847 121.300 -0.069 0.000 2.129 497 W HA 0.183 4.831 4.660 -0.020 0.000 0.349 497 W C 2.023 178.295 176.519 -0.413 0.000 1.279 497 W CA -0.607 56.502 57.345 -0.394 0.000 1.306 497 W CB 1.022 29.884 29.460 -0.997 0.000 1.140 497 W HN 0.653 nan 8.180 nan 0.000 0.613 498 R N 0.717 121.135 120.500 -0.137 0.000 2.091 498 R HA -0.217 4.107 4.340 -0.026 0.000 0.238 498 R C 1.504 177.796 176.300 -0.012 0.000 1.136 498 R CA 1.961 58.025 56.100 -0.059 0.000 0.959 498 R CB -1.248 29.052 30.300 -0.000 0.000 0.856 498 R HN 0.621 nan 8.270 nan 0.000 0.437 499 F N 0.908 120.952 119.950 0.155 0.000 2.699 499 F HA 0.198 4.711 4.527 -0.024 0.000 0.298 499 F C 0.827 176.748 175.800 0.201 0.000 1.154 499 F CA -0.081 57.990 58.000 0.118 0.000 1.457 499 F CB -0.294 38.714 39.000 0.014 0.000 1.106 499 F HN -0.155 nan 8.300 nan 0.000 0.585 500 D N 1.170 121.669 120.400 0.164 0.000 2.234 500 D HA 0.019 4.644 4.640 -0.026 0.000 0.205 500 D C 2.271 178.517 176.300 -0.091 0.000 0.962 500 D CA 1.315 55.389 54.000 0.124 0.000 0.855 500 D CB -0.111 40.732 40.800 0.071 0.000 0.951 500 D HN 0.421 nan 8.370 nan 0.000 0.500 501 A N -0.027 122.749 122.820 -0.073 0.000 1.887 501 A HA 0.565 4.869 4.320 -0.026 0.000 0.212 501 A C 1.048 178.593 177.584 -0.066 0.000 1.198 501 A CA 1.238 53.200 52.037 -0.125 0.000 0.628 501 A CB 0.250 19.171 19.000 -0.132 0.000 0.847 501 A HN 0.236 nan 8.150 nan 0.000 0.449 502 A N -2.646 120.202 122.820 0.048 0.000 2.515 502 A HA 0.622 4.926 4.320 -0.026 0.000 0.292 502 A C -0.352 177.329 177.584 0.163 0.000 1.065 502 A CA -0.170 51.936 52.037 0.115 0.000 0.641 502 A CB -0.459 18.683 19.000 0.238 0.000 1.306 502 A HN 1.614 nan 8.150 nan 0.000 0.441 503 A N 0.162 123.084 122.820 0.170 0.000 2.492 503 A HA 0.539 4.843 4.320 -0.026 0.000 0.254 503 A C 1.459 179.089 177.584 0.078 0.000 1.091 503 A CA 0.687 52.805 52.037 0.136 0.000 0.768 503 A CB -0.270 18.803 19.000 0.122 0.000 1.028 503 A HN 2.366 nan 8.150 nan 0.000 0.498 504 A N 2.631 125.471 122.820 0.033 0.000 1.986 504 A HA -0.208 4.096 4.320 -0.026 0.000 0.220 504 A C 2.144 179.515 177.584 -0.354 0.000 1.171 504 A CA 1.926 53.847 52.037 -0.193 0.000 0.640 504 A CB -0.396 18.464 19.000 -0.232 0.000 0.811 504 A HN 0.928 nan 8.150 nan 0.000 0.451 505 R N -0.606 119.850 120.500 -0.073 0.000 2.148 505 R HA -0.128 4.197 4.340 -0.026 0.000 0.227 505 R C 0.770 177.082 176.300 0.020 0.000 1.103 505 R CA 1.564 57.701 56.100 0.062 0.000 0.983 505 R CB -0.129 30.265 30.300 0.157 0.000 0.874 505 R HN 0.468 nan 8.270 nan 0.000 0.451 506 D N -0.197 120.207 120.400 0.007 0.000 2.305 506 D HA -0.044 4.580 4.640 -0.026 0.000 0.206 506 D C 1.633 177.899 176.300 -0.056 0.000 0.974 506 D CA 0.955 54.942 54.000 -0.022 0.000 0.871 506 D CB 0.262 41.061 40.800 -0.003 0.000 0.947 506 D HN 0.510 nan 8.370 nan 0.000 0.516 507 I N -3.117 117.451 120.570 -0.003 0.000 4.187 507 I HA 0.211 4.366 4.170 -0.026 0.000 0.326 507 I C 0.374 176.544 176.117 0.090 0.000 1.302 507 I CA -0.101 61.258 61.300 0.099 0.000 1.196 507 I CB 0.401 38.584 38.000 0.305 0.000 1.095 507 I HN -0.267 nan 8.210 nan 0.000 0.411 508 L N 1.775 122.930 121.223 -0.115 0.000 2.332 508 L HA 0.514 4.838 4.340 -0.026 0.000 0.269 508 L C -0.276 176.596 176.870 0.002 0.000 1.016 508 L CA -1.136 53.594 54.840 -0.184 0.000 0.809 508 L CB 2.205 43.943 42.059 -0.536 0.000 1.280 508 L HN -0.058 nan 8.230 nan 0.000 0.447 509 I N 3.461 124.087 120.570 0.094 0.000 2.352 509 I HA 0.208 4.363 4.170 -0.026 0.000 0.290 509 I C -1.932 174.366 176.117 0.302 0.000 1.036 509 I CA -1.895 59.502 61.300 0.163 0.000 1.336 509 I CB 0.606 38.663 38.000 0.096 0.000 1.407 509 I HN 0.241 nan 8.210 nan 0.000 0.497 510 P HA 0.212 nan 4.420 nan 0.000 0.274 510 P C -0.234 177.058 177.300 -0.012 0.000 1.246 510 P CA -0.024 63.130 63.100 0.090 0.000 0.795 510 P CB 1.191 32.937 31.700 0.077 0.000 1.006 511 T N -3.994 110.491 114.554 -0.115 0.000 2.807 511 T HA 0.337 4.671 4.350 -0.026 0.000 0.277 511 T C 1.350 176.000 174.700 -0.083 0.000 1.006 511 T CA -0.046 62.007 62.100 -0.078 0.000 1.006 511 T CB 0.057 68.873 68.868 -0.087 0.000 1.274 511 T HN 0.432 nan 8.240 nan 0.000 0.569 512 T N -1.368 113.152 114.554 -0.057 0.000 3.007 512 T HA 0.086 4.420 4.350 -0.026 0.000 0.270 512 T C 0.841 175.503 174.700 -0.065 0.000 1.107 512 T CA 0.587 62.658 62.100 -0.049 0.000 1.118 512 T CB -0.833 68.017 68.868 -0.031 0.000 0.889 512 T HN 0.667 nan 8.240 nan 0.000 0.506 513 T N 2.799 117.301 114.554 -0.088 0.000 2.749 513 T HA 0.294 4.628 4.350 -0.026 0.000 0.295 513 T C -0.085 174.527 174.700 -0.147 0.000 0.936 513 T CA -0.666 61.378 62.100 -0.094 0.000 1.060 513 T CB 1.323 70.142 68.868 -0.083 0.000 0.904 513 T HN 0.317 nan 8.240 nan 0.000 0.500 514 K N 2.795 123.130 120.400 -0.108 0.000 2.451 514 K HA -0.007 4.298 4.320 -0.026 0.000 0.280 514 K C -0.038 176.477 176.600 -0.141 0.000 1.020 514 K CA 0.102 56.319 56.287 -0.117 0.000 1.008 514 K CB 0.191 32.657 32.500 -0.057 0.000 0.917 514 K HN 0.601 nan 8.250 nan 0.000 0.478 515 D N 0.755 121.027 120.400 -0.213 0.000 3.028 515 D HA -0.148 4.476 4.640 -0.026 0.000 0.207 515 D C -0.909 175.254 176.300 -0.227 0.000 1.100 515 D CA 0.864 54.783 54.000 -0.135 0.000 0.995 515 D CB -1.124 39.686 40.800 0.016 0.000 1.108 515 D HN 0.210 nan 8.370 nan 0.000 0.421 516 V N 0.996 120.639 119.914 -0.452 0.000 2.448 516 V HA 0.499 4.604 4.120 -0.026 0.000 0.295 516 V C -0.021 175.737 176.094 -0.561 0.000 1.025 516 V CA -0.756 61.368 62.300 -0.293 0.000 0.859 516 V CB 1.511 33.250 31.823 -0.139 0.000 0.988 516 V HN -0.035 nan 8.190 nan 0.000 0.431 517 Y N 1.706 122.007 120.300 0.001 0.000 2.602 517 Y HA 0.748 5.282 4.550 -0.027 0.000 0.330 517 Y C 0.741 176.628 175.900 -0.022 0.000 1.114 517 Y CA -0.755 57.337 58.100 -0.014 0.000 1.182 517 Y CB 1.238 39.681 38.460 -0.029 0.000 1.305 517 Y HN 0.710 nan 8.280 nan 0.000 0.502 518 A N 1.038 123.934 122.820 0.127 0.000 2.445 518 A HA 0.543 4.847 4.320 -0.026 0.000 0.242 518 A C -0.474 177.133 177.584 0.038 0.000 1.075 518 A CA -0.234 51.839 52.037 0.060 0.000 0.777 518 A CB -0.337 18.696 19.000 0.056 0.000 1.013 518 A HN 0.766 nan 8.150 nan 0.000 0.493 519 V N 0.319 120.251 119.914 0.029 0.000 2.962 519 V HA 0.707 4.811 4.120 -0.026 0.000 0.313 519 V C -0.369 175.744 176.094 0.031 0.000 1.099 519 V CA -0.674 61.641 62.300 0.026 0.000 0.971 519 V CB 1.745 33.584 31.823 0.025 0.000 1.028 519 V HN 0.985 nan 8.190 nan 0.000 0.430 520 D N 1.946 122.370 120.400 0.039 0.000 2.453 520 D HA 0.223 4.848 4.640 -0.026 0.000 0.282 520 D C 0.902 177.221 176.300 0.033 0.000 1.222 520 D CA -0.145 53.879 54.000 0.040 0.000 1.079 520 D CB 0.027 40.858 40.800 0.052 0.000 1.128 520 D HN 0.373 nan 8.370 nan 0.000 0.568 521 N N 0.037 118.755 118.700 0.031 0.000 2.043 521 N HA -0.159 4.565 4.740 -0.026 0.000 0.193 521 N C 1.024 176.549 175.510 0.025 0.000 1.037 521 N CA 1.325 54.390 53.050 0.025 0.000 0.851 521 N CB -0.760 37.741 38.487 0.023 0.000 1.027 521 N HN 0.647 nan 8.380 nan 0.000 0.422 522 N N 0.504 119.222 118.700 0.030 0.000 2.416 522 N HA 0.031 4.755 4.740 -0.026 0.000 0.215 522 N C 0.726 176.256 175.510 0.033 0.000 1.208 522 N CA 0.744 53.812 53.050 0.029 0.000 0.834 522 N CB -0.282 38.224 38.487 0.031 0.000 1.072 522 N HN 0.228 nan 8.380 nan 0.000 0.472 523 G N -0.694 108.125 108.800 0.032 0.000 2.203 523 G HA2 -0.267 3.678 3.960 -0.026 0.000 0.263 523 G HA3 -0.267 3.678 3.960 -0.026 0.000 0.263 523 G C 0.196 175.122 174.900 0.042 0.000 1.012 523 G CA 0.314 45.433 45.100 0.032 0.000 0.749 523 G HN 0.859 nan 8.290 nan 0.000 0.512 524 A N -0.155 122.696 122.820 0.052 0.000 2.310 524 A HA 0.766 5.070 4.320 -0.026 0.000 0.299 524 A C 0.802 178.420 177.584 0.057 0.000 1.147 524 A CA 0.551 52.631 52.037 0.072 0.000 0.818 524 A CB 0.614 19.668 19.000 0.091 0.000 1.096 524 A HN 0.687 nan 8.150 nan 0.000 0.495 525 T N 1.556 116.132 114.554 0.037 0.000 2.928 525 T HA 0.328 4.663 4.350 -0.026 0.000 0.305 525 T C 0.146 174.768 174.700 -0.130 0.000 1.035 525 T CA 0.278 62.324 62.100 -0.090 0.000 1.145 525 T CB 0.214 68.948 68.868 -0.223 0.000 0.963 525 T HN 0.417 nan 8.240 nan 0.000 0.545 526 V N 4.961 124.790 119.914 -0.143 0.000 2.398 526 V HA 0.450 4.555 4.120 -0.026 0.000 0.286 526 V C -0.288 175.725 176.094 -0.135 0.000 1.026 526 V CA -0.766 61.517 62.300 -0.029 0.000 0.868 526 V CB 0.561 32.413 31.823 0.049 0.000 0.982 526 V HN 0.677 nan 8.190 nan 0.000 0.443 527 F N 1.790 121.838 119.950 0.163 0.000 2.380 527 F HA 0.483 4.994 4.527 -0.028 0.000 0.321 527 F C 0.851 176.715 175.800 0.106 0.000 1.103 527 F CA -0.612 57.492 58.000 0.173 0.000 1.067 527 F CB 0.744 39.943 39.000 0.331 0.000 1.265 527 F HN 0.402 nan 8.300 nan 0.000 0.517 528 Q N 0.920 120.850 119.800 0.217 0.000 2.354 528 Q HA 0.161 4.485 4.340 -0.026 0.000 0.244 528 Q C -0.523 175.475 176.000 -0.002 0.000 0.969 528 Q CA -0.754 55.089 55.803 0.066 0.000 0.885 528 Q CB 0.521 29.251 28.738 -0.013 0.000 1.241 528 Q HN 0.456 nan 8.270 nan 0.000 0.461 529 N N 0.519 119.214 118.700 -0.009 0.000 2.454 529 N HA -0.055 4.669 4.740 -0.026 0.000 0.254 529 N C 0.991 176.419 175.510 -0.137 0.000 1.228 529 N CA 0.055 53.087 53.050 -0.031 0.000 0.900 529 N CB 0.913 39.401 38.487 0.003 0.000 1.089 529 N HN 0.353 nan 8.380 nan 0.000 0.449 530 V N 1.937 121.743 119.914 -0.179 0.000 2.324 530 V HA -0.230 3.874 4.120 -0.026 0.000 0.250 530 V C 1.956 178.057 176.094 0.013 0.000 1.060 530 V CA 1.585 63.745 62.300 -0.233 0.000 1.042 530 V CB -0.352 31.420 31.823 -0.084 0.000 0.650 530 V HN 0.599 nan 8.190 nan 0.000 0.450 531 E N 0.214 120.428 120.200 0.022 0.000 2.267 531 E HA -0.202 4.133 4.350 -0.026 0.000 0.197 531 E C 1.701 178.296 176.600 -0.008 0.000 0.998 531 E CA 1.281 57.689 56.400 0.013 0.000 0.830 531 E CB -0.284 29.413 29.700 -0.007 0.000 0.751 531 E HN 0.682 nan 8.360 nan 0.000 0.491 532 D N -0.010 120.381 120.400 -0.015 0.000 2.346 532 D HA 0.077 4.701 4.640 -0.026 0.000 0.206 532 D C 0.837 177.122 176.300 -0.027 0.000 1.001 532 D CA -0.009 53.976 54.000 -0.024 0.000 0.871 532 D CB 0.528 41.312 40.800 -0.026 0.000 0.943 532 D HN 0.166 nan 8.370 nan 0.000 0.518 533 I N 2.271 122.822 120.570 -0.032 0.000 2.618 533 I HA 0.011 4.166 4.170 -0.026 0.000 0.284 533 I C 0.358 176.470 176.117 -0.009 0.000 1.146 533 I CA 0.308 61.533 61.300 -0.125 0.000 1.425 533 I CB 0.381 38.158 38.000 -0.372 0.000 1.383 533 I HN -0.363 nan 8.210 nan 0.000 0.562 534 R N 6.008 126.415 120.500 -0.155 0.000 2.574 534 R HA 0.287 4.612 4.340 -0.026 0.000 0.288 534 R C -1.431 174.760 176.300 -0.182 0.000 1.004 534 R CA -0.925 55.158 56.100 -0.028 0.000 0.895 534 R CB 1.233 31.549 30.300 0.026 0.000 1.191 534 R HN 0.424 nan 8.270 nan 0.000 0.444 535 Y N 1.546 121.958 120.300 0.185 0.000 2.636 535 Y HA 0.074 4.608 4.550 -0.027 0.000 0.334 535 Y C 1.613 177.569 175.900 0.093 0.000 1.286 535 Y CA -0.106 58.054 58.100 0.099 0.000 1.688 535 Y CB 0.341 38.837 38.460 0.059 0.000 1.662 535 Y HN 0.574 nan 8.280 nan 0.000 0.465 536 T N -3.993 110.649 114.554 0.147 0.000 2.990 536 T HA 0.050 4.384 4.350 -0.026 0.000 0.249 536 T C 0.712 175.469 174.700 0.095 0.000 1.039 536 T CA -0.096 62.071 62.100 0.111 0.000 1.036 536 T CB -0.005 68.906 68.868 0.073 0.000 0.994 536 T HN 0.270 nan 8.240 nan 0.000 0.489 537 T N 4.170 118.783 114.554 0.100 0.000 2.799 537 T HA 0.385 4.719 4.350 -0.026 0.000 0.296 537 T C 0.099 174.855 174.700 0.094 0.000 0.947 537 T CA -0.381 61.771 62.100 0.087 0.000 1.141 537 T CB 0.514 69.434 68.868 0.087 0.000 0.891 537 T HN 0.301 nan 8.240 nan 0.000 0.533 538 R N 1.776 122.321 120.500 0.075 0.000 2.919 538 R HA 0.847 5.172 4.340 -0.026 0.000 0.260 538 R C 0.150 176.497 176.300 0.078 0.000 1.067 538 R CA -1.086 55.065 56.100 0.085 0.000 1.003 538 R CB 1.800 32.136 30.300 0.061 0.000 1.192 538 R HN 0.716 nan 8.270 nan 0.000 0.488 539 G N -0.317 108.550 108.800 0.112 0.000 2.766 539 G HA2 0.467 4.412 3.960 -0.026 0.000 0.288 539 G HA3 0.467 4.412 3.960 -0.026 0.000 0.288 539 G C -0.866 174.139 174.900 0.175 0.000 1.408 539 G CA -0.511 44.645 45.100 0.093 0.000 0.852 539 G HN 0.556 nan 8.290 nan 0.000 0.487 540 T N -1.815 112.812 114.554 0.121 0.000 2.927 540 T HA 0.752 5.086 4.350 -0.026 0.000 0.281 540 T C -0.091 174.678 174.700 0.114 0.000 0.998 540 T CA -0.634 61.567 62.100 0.169 0.000 1.019 540 T CB 1.826 70.740 68.868 0.076 0.000 1.061 540 T HN 0.505 nan 8.240 nan 0.000 0.518 541 R N 0.186 120.741 120.500 0.092 0.000 2.686 541 R HA 0.303 4.628 4.340 -0.026 0.000 0.286 541 R C 1.007 177.289 176.300 -0.029 0.000 0.969 541 R CA -0.700 55.365 56.100 -0.058 0.000 0.898 541 R CB 2.001 32.083 30.300 -0.363 0.000 1.183 541 R HN 0.978 nan 8.270 nan 0.000 0.456 542 E N 1.314 121.496 120.200 -0.030 0.000 2.106 542 E HA -0.191 4.143 4.350 -0.026 0.000 0.192 542 E C 0.613 177.187 176.600 -0.044 0.000 0.984 542 E CA 1.727 58.111 56.400 -0.028 0.000 0.806 542 E CB 0.305 29.993 29.700 -0.021 0.000 0.750 542 E HN 0.600 nan 8.360 nan 0.000 0.458 543 D N -0.271 120.081 120.400 -0.080 0.000 2.339 543 D HA 0.006 4.630 4.640 -0.026 0.000 0.217 543 D C -0.146 176.079 176.300 -0.125 0.000 1.050 543 D CA 0.255 54.196 54.000 -0.098 0.000 0.856 543 D CB 0.084 40.815 40.800 -0.116 0.000 0.922 543 D HN 0.170 nan 8.370 nan 0.000 0.518 544 E N 0.076 120.205 120.200 -0.119 0.000 2.356 544 E HA 0.258 4.592 4.350 -0.026 0.000 0.275 544 E C -0.721 175.943 176.600 0.105 0.000 0.904 544 E CA -0.836 55.526 56.400 -0.063 0.000 0.757 544 E CB 1.973 31.548 29.700 -0.209 0.000 1.232 544 E HN -0.051 nan 8.360 nan 0.000 0.442 545 E N 0.613 120.881 120.200 0.113 0.000 2.319 545 E HA 0.586 4.920 4.350 -0.026 0.000 0.268 545 E C 0.353 177.023 176.600 0.117 0.000 1.050 545 E CA -0.066 56.395 56.400 0.103 0.000 0.878 545 E CB 1.582 31.301 29.700 0.033 0.000 1.066 545 E HN 0.783 nan 8.360 nan 0.000 0.406 546 G N 0.584 109.398 108.800 0.024 0.000 2.479 546 G HA2 -0.110 3.835 3.960 -0.026 0.000 0.686 546 G HA3 -0.110 3.835 3.960 -0.026 0.000 0.686 546 G C -1.176 173.573 174.900 -0.251 0.000 1.295 546 G CA -0.935 44.048 45.100 -0.195 0.000 0.922 546 G HN 0.317 nan 8.290 nan 0.000 0.582 547 L N -0.386 120.596 121.223 -0.402 0.000 2.331 547 L HA 0.829 5.154 4.340 -0.026 0.000 0.275 547 L C -0.325 176.245 176.870 -0.501 0.000 1.022 547 L CA -0.763 53.941 54.840 -0.227 0.000 0.812 547 L CB 1.452 43.452 42.059 -0.099 0.000 1.257 547 L HN 0.481 nan 8.230 nan 0.000 0.435 548 F N 1.613 121.595 119.950 0.054 0.000 2.603 548 F HA 0.536 5.048 4.527 -0.026 0.000 0.317 548 F C -2.126 173.725 175.800 0.085 0.000 1.066 548 F CA -2.298 55.753 58.000 0.085 0.000 0.941 548 F CB 1.466 40.539 39.000 0.123 0.000 1.291 548 F HN 0.248 nan 8.300 nan 0.000 0.472 549 P HA 0.190 nan 4.420 nan 0.000 0.269 549 P C -0.701 176.707 177.300 0.181 0.000 1.215 549 P CA 0.239 63.447 63.100 0.179 0.000 0.780 549 P CB 1.118 32.900 31.700 0.136 0.000 0.898 550 I N 1.298 121.954 120.570 0.144 0.000 2.362 550 I HA 0.526 4.681 4.170 -0.026 0.000 0.289 550 I C 0.875 177.065 176.117 0.122 0.000 0.994 550 I CA -0.025 61.375 61.300 0.166 0.000 1.158 550 I CB 0.925 39.013 38.000 0.147 0.000 1.315 550 I HN 0.660 nan 8.210 nan 0.000 0.451 551 G N 3.967 112.807 108.800 0.066 0.000 2.756 551 G HA2 -0.125 3.819 3.960 -0.026 0.000 0.678 551 G HA3 -0.125 3.819 3.960 -0.026 0.000 0.678 551 G C 0.568 175.349 174.900 -0.197 0.000 1.349 551 G CA -0.350 44.702 45.100 -0.080 0.000 0.847 551 G HN 0.891 nan 8.290 nan 0.000 0.548 552 G N -1.051 107.601 108.800 -0.246 0.000 2.404 552 G HA2 0.127 4.071 3.960 -0.026 0.000 0.215 552 G HA3 0.127 4.071 3.960 -0.026 0.000 0.215 552 G C 1.979 176.726 174.900 -0.255 0.000 1.174 552 G CA 2.355 47.302 45.100 -0.255 0.000 0.780 552 G HN 1.447 nan 8.290 nan 0.000 0.537 553 V N 2.144 121.874 119.914 -0.308 0.000 2.252 553 V HA -0.153 3.952 4.120 -0.026 0.000 0.249 553 V C 0.374 176.206 176.094 -0.437 0.000 1.056 553 V CA 2.430 64.461 62.300 -0.448 0.000 1.022 553 V CB -1.245 30.144 31.823 -0.723 0.000 0.641 553 V HN 0.300 nan 8.190 nan 0.000 0.445 554 P HA -0.121 nan 4.420 nan 0.000 0.218 554 P C 1.854 179.089 177.300 -0.108 0.000 1.149 554 P CA 1.024 64.010 63.100 -0.190 0.000 0.817 554 P CB -0.033 31.636 31.700 -0.052 0.000 0.785 555 L N -0.296 120.856 121.223 -0.118 0.000 2.027 555 L HA 0.021 4.345 4.340 -0.026 0.000 0.206 555 L C 2.250 179.035 176.870 -0.143 0.000 1.074 555 L CA 2.288 57.072 54.840 -0.094 0.000 0.745 555 L CB -1.617 40.384 42.059 -0.097 0.000 0.898 555 L HN -0.058 nan 8.230 nan 0.000 0.433 556 G N -0.284 108.415 108.800 -0.169 0.000 2.418 556 G HA2 -0.238 3.707 3.960 -0.026 0.000 0.217 556 G HA3 -0.238 3.707 3.960 -0.026 0.000 0.217 556 G C 1.661 176.478 174.900 -0.139 0.000 1.158 556 G CA 1.080 46.081 45.100 -0.165 0.000 0.771 556 G HN 0.456 nan 8.290 nan 0.000 0.545 557 I N 0.683 121.175 120.570 -0.130 0.000 2.151 557 I HA -0.209 3.945 4.170 -0.026 0.000 0.243 557 I C 2.780 178.885 176.117 -0.021 0.000 1.080 557 I CA 1.476 62.741 61.300 -0.058 0.000 1.339 557 I CB -0.251 37.729 38.000 -0.034 0.000 1.039 557 I HN 0.295 nan 8.210 nan 0.000 0.409 558 E N 0.582 120.764 120.200 -0.029 0.000 2.150 558 E HA -0.172 4.162 4.350 -0.026 0.000 0.193 558 E C 2.271 178.838 176.600 -0.055 0.000 0.985 558 E CA 1.080 57.486 56.400 0.011 0.000 0.814 558 E CB -0.023 29.719 29.700 0.070 0.000 0.752 558 E HN 0.546 nan 8.360 nan 0.000 0.466 559 I N 1.164 121.610 120.570 -0.207 0.000 2.286 559 I HA -0.219 3.935 4.170 -0.026 0.000 0.245 559 I C 2.565 178.630 176.117 -0.088 0.000 1.104 559 I CA 0.841 61.957 61.300 -0.307 0.000 1.397 559 I CB -0.226 37.566 38.000 -0.348 0.000 1.072 559 I HN 0.049 nan 8.210 nan 0.000 0.417 560 A N 0.402 123.194 122.820 -0.048 0.000 1.902 560 A HA -0.228 4.076 4.320 -0.026 0.000 0.217 560 A C 1.960 179.596 177.584 0.087 0.000 1.181 560 A CA 1.960 54.005 52.037 0.013 0.000 0.623 560 A CB -0.555 18.436 19.000 -0.015 0.000 0.818 560 A HN 0.321 nan 8.150 nan 0.000 0.443 561 D N -0.645 119.803 120.400 0.079 0.000 2.097 561 D HA -0.154 4.471 4.640 -0.026 0.000 0.195 561 D C 1.899 178.297 176.300 0.164 0.000 0.989 561 D CA 1.503 55.581 54.000 0.130 0.000 0.827 561 D CB -0.350 40.512 40.800 0.104 0.000 0.966 561 D HN 0.727 nan 8.370 nan 0.000 0.456 562 E N 0.436 120.712 120.200 0.128 0.000 2.023 562 E HA -0.167 4.167 4.350 -0.026 0.000 0.196 562 E C 2.350 179.032 176.600 0.137 0.000 1.003 562 E CA 0.865 57.346 56.400 0.135 0.000 0.809 562 E CB -0.154 29.645 29.700 0.165 0.000 0.755 562 E HN 0.196 nan 8.360 nan 0.000 0.449 563 I N 0.280 120.930 120.570 0.133 0.000 2.118 563 I HA -0.283 3.871 4.170 -0.026 0.000 0.241 563 I C 2.396 178.595 176.117 0.137 0.000 1.070 563 I CA 1.343 62.725 61.300 0.136 0.000 1.327 563 I CB -0.412 37.663 38.000 0.126 0.000 1.034 563 I HN 0.219 nan 8.210 nan 0.000 0.405 564 F N 2.250 122.223 119.950 0.039 0.000 2.069 564 F HA -0.261 4.250 4.527 -0.026 0.000 0.298 564 F C 2.382 178.207 175.800 0.041 0.000 1.113 564 F CA 1.825 59.846 58.000 0.036 0.000 1.214 564 F CB -0.423 38.602 39.000 0.042 0.000 0.978 564 F HN 0.079 nan 8.300 nan 0.000 0.474 565 N N 0.564 119.381 118.700 0.196 0.000 2.205 565 N HA -0.195 4.530 4.740 -0.026 0.000 0.186 565 N C 1.039 176.550 175.510 0.002 0.000 1.015 565 N CA 1.364 54.474 53.050 0.100 0.000 0.862 565 N CB -0.691 37.876 38.487 0.134 0.000 0.986 565 N HN 0.476 nan 8.380 nan 0.000 0.429 566 N N 0.018 118.724 118.700 0.011 0.000 2.322 566 N HA 0.052 4.777 4.740 -0.026 0.000 0.194 566 N C 0.569 176.063 175.510 -0.028 0.000 1.126 566 N CA 0.421 53.474 53.050 0.004 0.000 0.845 566 N CB 0.587 39.098 38.487 0.040 0.000 0.976 566 N HN 0.215 nan 8.380 nan 0.000 0.475 567 G N 1.722 110.455 108.800 -0.112 0.000 2.198 567 G HA2 -0.286 3.658 3.960 -0.026 0.000 0.260 567 G HA3 -0.286 3.658 3.960 -0.026 0.000 0.260 567 G C 0.167 175.029 174.900 -0.064 0.000 1.025 567 G CA 0.416 45.426 45.100 -0.149 0.000 0.769 567 G HN 0.419 nan 8.290 nan 0.000 0.507 568 L N -1.986 119.236 121.223 -0.001 0.000 3.272 568 L HA -0.094 4.230 4.340 -0.026 0.000 0.701 568 L C 0.172 177.184 176.870 0.237 0.000 1.155 568 L CA 1.766 56.676 54.840 0.118 0.000 1.249 568 L CB -0.965 41.100 42.059 0.009 0.000 1.796 568 L HN 0.853 nan 8.230 nan 0.000 0.896 569 K N 4.388 124.898 120.400 0.183 0.000 2.371 569 K HA 0.776 5.081 4.320 -0.026 0.000 0.251 569 K C -2.649 173.927 176.600 -0.039 0.000 0.934 569 K CA -2.110 54.176 56.287 -0.002 0.000 0.798 569 K CB 2.265 34.758 32.500 -0.012 0.000 1.204 569 K HN 0.104 nan 8.250 nan 0.000 0.427 570 P HA -0.004 nan 4.420 nan 0.000 0.267 570 P C -0.857 176.453 177.300 0.015 0.000 1.200 570 P CA -0.025 62.931 63.100 -0.240 0.000 0.772 570 P CB 0.436 31.908 31.700 -0.379 0.000 0.855 571 T N 5.235 119.882 114.554 0.156 0.000 2.853 571 T HA 0.145 4.480 4.350 -0.026 0.000 0.298 571 T C -2.004 172.730 174.700 0.057 0.000 0.978 571 T CA -0.727 61.457 62.100 0.139 0.000 1.152 571 T CB -0.521 68.469 68.868 0.204 0.000 0.914 571 T HN 0.355 nan 8.240 nan 0.000 0.539 572 P HA 0.063 nan 4.420 nan 0.000 0.263 572 P C -1.852 175.429 177.300 -0.031 0.000 1.195 572 P CA -1.353 61.715 63.100 -0.054 0.000 0.762 572 P CB 0.334 32.012 31.700 -0.035 0.000 0.799 573 P HA -0.190 nan 4.420 nan 0.000 0.220 573 P C 0.987 178.288 177.300 0.000 0.000 1.144 573 P CA 1.510 64.596 63.100 -0.024 0.000 0.800 573 P CB 0.162 31.799 31.700 -0.105 0.000 0.772 574 E N 0.602 120.791 120.200 -0.018 0.000 2.072 574 E HA -0.123 4.212 4.350 -0.026 0.000 0.191 574 E C 1.955 178.568 176.600 0.021 0.000 0.985 574 E CA 1.061 57.460 56.400 -0.001 0.000 0.801 574 E CB -0.891 28.803 29.700 -0.010 0.000 0.750 574 E HN 0.468 nan 8.360 nan 0.000 0.452 575 I N -1.399 119.191 120.570 0.034 0.000 3.810 575 I HA 0.113 4.268 4.170 -0.026 0.000 0.322 575 I C 0.075 176.235 176.117 0.071 0.000 1.288 575 I CA -0.365 60.969 61.300 0.056 0.000 1.143 575 I CB 0.108 38.148 38.000 0.065 0.000 1.012 575 I HN -0.167 nan 8.210 nan 0.000 0.423 576 Q N 2.544 122.382 119.800 0.063 0.000 2.306 576 Q HA 0.432 4.757 4.340 -0.026 0.000 0.241 576 Q C -1.877 174.149 176.000 0.043 0.000 0.948 576 Q CA -1.328 54.513 55.803 0.064 0.000 0.886 576 Q CB 0.522 29.301 28.738 0.069 0.000 1.227 576 Q HN 0.203 nan 8.270 nan 0.000 0.457 577 P HA 0.000 nan 4.420 nan 0.000 0.216 577 P CA 0.000 63.108 63.100 0.014 0.000 0.800 577 P CB 0.000 31.693 31.700 -0.012 0.000 0.726