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 1xsi_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.156 176.300 -0.239 0.000 1.140 1 M CA 0.000 55.168 55.300 -0.221 0.000 0.988 1 M CB 0.000 32.396 32.600 -0.340 0.000 1.302 2 K N 4.839 125.112 120.400 -0.211 0.000 2.412 2 K HA 0.310 4.630 4.320 0.000 0.000 0.284 2 K C 0.206 176.652 176.600 -0.257 0.000 1.046 2 K CA 0.253 56.419 56.287 -0.202 0.000 0.999 2 K CB 0.589 33.000 32.500 -0.148 0.000 0.941 2 K HN 0.678 nan 8.250 nan 0.000 0.474 3 I N 0.286 120.684 120.570 -0.286 0.000 3.345 3 I HA -0.102 4.068 4.170 0.000 0.000 0.258 3 I C 0.984 176.958 176.117 -0.239 0.000 1.134 3 I CA 0.149 61.245 61.300 -0.339 0.000 1.457 3 I CB 0.037 37.699 38.000 -0.564 0.000 1.425 3 I HN 0.509 nan 8.210 nan 0.000 0.461 4 S N 0.574 116.146 115.700 -0.214 0.000 2.614 4 S HA 0.119 4.589 4.470 0.000 0.000 0.265 4 S C -0.271 174.262 174.600 -0.112 0.000 1.303 4 S CA -0.363 57.751 58.200 -0.144 0.000 1.000 4 S CB 1.368 64.483 63.200 -0.141 0.000 0.935 4 S HN 0.249 nan 8.310 nan 0.000 0.551 5 D N 0.230 120.585 120.400 -0.075 0.000 2.412 5 D HA 0.489 5.129 4.640 0.000 0.000 0.276 5 D C 0.739 177.019 176.300 -0.033 0.000 1.196 5 D CA 0.770 54.741 54.000 -0.049 0.000 0.905 5 D CB 0.008 40.792 40.800 -0.028 0.000 1.081 5 D HN 1.101 nan 8.370 nan 0.000 0.502 6 G N 3.340 112.103 108.800 -0.061 0.000 2.697 6 G HA2 -0.376 3.584 3.960 0.000 0.000 0.240 6 G HA3 -0.376 3.584 3.960 0.000 0.000 0.240 6 G C 0.852 175.645 174.900 -0.179 0.000 1.346 6 G CA 0.117 45.166 45.100 -0.086 0.000 0.887 6 G HN 0.518 nan 8.290 nan 0.000 0.569 7 N N -0.803 117.682 118.700 -0.358 0.000 2.331 7 N HA 0.028 4.768 4.740 0.000 0.000 0.180 7 N C 1.839 177.005 175.510 -0.573 0.000 1.019 7 N CA 2.323 54.991 53.050 -0.637 0.000 0.881 7 N CB -0.088 37.747 38.487 -1.087 0.000 0.972 7 N HN 0.610 nan 8.380 nan 0.000 0.435 8 W N -0.287 121.001 121.300 -0.020 0.000 3.058 8 W HA 0.429 5.089 4.660 0.000 0.000 0.306 8 W C -0.020 176.489 176.519 -0.017 0.000 1.188 8 W CA -0.585 56.751 57.345 -0.015 0.000 1.651 8 W CB 0.503 29.956 29.460 -0.013 0.000 1.051 8 W HN -0.143 nan 8.180 nan 0.000 0.592 9 L N -0.093 121.215 121.223 0.143 0.000 2.257 9 L HA 0.659 4.999 4.340 0.000 0.000 0.257 9 L C -0.503 176.377 176.870 0.017 0.000 1.033 9 L CA -1.349 53.541 54.840 0.083 0.000 0.835 9 L CB 2.061 44.164 42.059 0.072 0.000 1.398 9 L HN -0.337 nan 8.230 nan 0.000 0.429 10 I N 0.055 120.626 120.570 0.001 0.000 2.608 10 I HA 0.233 4.403 4.170 0.000 0.000 0.295 10 I C -0.495 175.595 176.117 -0.046 0.000 1.049 10 I CA -0.898 60.381 61.300 -0.036 0.000 1.063 10 I CB 2.055 40.039 38.000 -0.026 0.000 1.248 10 I HN 0.500 nan 8.210 nan 0.000 0.424 11 Q N 4.705 124.459 119.800 -0.076 0.000 2.310 11 Q HA 0.047 4.387 4.340 0.000 0.000 0.315 11 Q C -2.255 173.711 176.000 -0.057 0.000 1.081 11 Q CA -1.046 54.712 55.803 -0.074 0.000 0.981 11 Q CB -0.268 28.406 28.738 -0.106 0.000 1.184 11 Q HN 0.210 nan 8.270 nan 0.000 0.389 12 P HA -0.017 nan 4.420 nan 0.000 0.261 12 P C 0.578 177.857 177.300 -0.035 0.000 1.183 12 P CA 1.107 64.189 63.100 -0.031 0.000 0.761 12 P CB 0.315 32.000 31.700 -0.026 0.000 0.785 13 G N 2.129 110.912 108.800 -0.028 0.000 2.157 13 G HA2 -0.218 3.742 3.960 0.000 0.000 0.248 13 G HA3 -0.218 3.742 3.960 0.000 0.000 0.248 13 G C -0.192 174.687 174.900 -0.035 0.000 0.979 13 G CA -0.405 44.680 45.100 -0.026 0.000 0.650 13 G HN 0.460 nan 8.290 nan 0.000 0.529 14 L N 0.947 122.140 121.223 -0.049 0.000 2.282 14 L HA 0.500 4.840 4.340 0.000 0.000 0.288 14 L C -0.512 176.324 176.870 -0.056 0.000 1.033 14 L CA -1.018 53.782 54.840 -0.067 0.000 0.807 14 L CB 1.291 43.287 42.059 -0.105 0.000 1.209 14 L HN 0.013 nan 8.230 nan 0.000 0.423 15 N N 4.989 123.655 118.700 -0.057 0.000 2.392 15 N HA 0.617 5.357 4.740 0.000 0.000 0.283 15 N C -0.942 174.529 175.510 -0.065 0.000 1.003 15 N CA -0.429 52.594 53.050 -0.045 0.000 0.892 15 N CB 2.522 40.995 38.487 -0.024 0.000 1.193 15 N HN 0.413 nan 8.380 nan 0.000 0.487 16 L N 2.152 123.333 121.223 -0.071 0.000 2.342 16 L HA 0.700 5.040 4.340 0.000 0.000 0.271 16 L C 0.014 176.744 176.870 -0.234 0.000 1.008 16 L CA -1.193 53.566 54.840 -0.135 0.000 0.818 16 L CB 1.518 43.507 42.059 -0.116 0.000 1.296 16 L HN 0.470 nan 8.230 nan 0.000 0.427 17 I N -1.915 118.495 120.570 -0.268 0.000 2.769 17 I HA 0.613 4.783 4.170 0.000 0.000 0.298 17 I C -1.095 174.882 176.117 -0.233 0.000 1.128 17 I CA -0.503 60.659 61.300 -0.231 0.000 1.031 17 I CB 2.389 40.386 38.000 -0.004 0.000 1.235 17 I HN 0.462 nan 8.210 nan 0.000 0.423 18 H N 2.701 121.855 119.070 0.141 0.000 2.806 18 H HA 0.457 5.013 4.556 0.000 0.000 0.367 18 H C -2.755 172.394 175.328 -0.298 0.000 1.136 18 H CA -1.961 53.974 56.048 -0.188 0.000 1.178 18 H CB 2.353 32.006 29.762 -0.181 0.000 1.718 18 H HN 0.415 nan 8.280 nan 0.000 0.540 19 P HA 0.082 nan 4.420 nan 0.000 0.270 19 P C 0.452 177.100 177.300 -1.087 0.000 1.242 19 P CA 0.162 62.809 63.100 -0.756 0.000 0.768 19 P CB 0.899 31.980 31.700 -1.032 0.000 0.820 20 L N 1.727 122.571 121.223 -0.632 0.000 2.840 20 L HA 0.270 4.610 4.340 0.000 0.000 0.249 20 L C 0.945 177.773 176.870 -0.070 0.000 1.119 20 L CA 0.396 55.017 54.840 -0.364 0.000 0.930 20 L CB 0.586 42.571 42.059 -0.122 0.000 1.295 20 L HN 0.419 nan 8.230 nan 0.000 0.534 21 Q N 0.625 120.427 119.800 0.003 0.000 2.327 21 Q HA 0.265 4.605 4.340 0.000 0.000 0.265 21 Q C -1.478 174.748 176.000 0.377 0.000 0.993 21 Q CA -0.304 55.659 55.803 0.267 0.000 0.885 21 Q CB 3.169 31.996 28.738 0.148 0.000 1.379 21 Q HN -0.157 nan 8.270 nan 0.000 0.408 22 V N 5.610 125.817 119.914 0.488 0.000 2.450 22 V HA 0.006 4.126 4.120 0.000 0.000 0.281 22 V C 0.682 176.984 176.094 0.348 0.000 1.019 22 V CA 0.678 63.241 62.300 0.438 0.000 1.062 22 V CB 0.092 32.098 31.823 0.305 0.000 0.979 22 V HN 0.802 nan 8.190 nan 0.000 0.477 23 F N 3.960 124.053 119.950 0.239 0.000 2.220 23 F HA 0.271 4.798 4.527 0.000 0.000 0.290 23 F C 1.024 176.930 175.800 0.178 0.000 1.080 23 F CA 0.933 59.042 58.000 0.182 0.000 1.318 23 F CB 0.473 39.572 39.000 0.164 0.000 1.063 23 F HN 0.549 nan 8.300 nan 0.000 0.498 24 E N -0.051 120.210 120.200 0.101 0.000 2.372 24 E HA 0.487 4.837 4.350 0.000 0.000 0.279 24 E C -1.997 174.746 176.600 0.237 0.000 0.946 24 E CA -0.743 55.659 56.400 0.004 0.000 0.769 24 E CB 2.345 32.003 29.700 -0.070 0.000 1.230 24 E HN -0.156 nan 8.360 nan 0.000 0.442 25 V N 2.740 122.738 119.914 0.140 0.000 2.540 25 V HA 0.452 4.572 4.120 0.000 0.000 0.302 25 V C -0.670 175.506 176.094 0.137 0.000 1.035 25 V CA -0.643 61.741 62.300 0.140 0.000 0.873 25 V CB 1.712 33.585 31.823 0.083 0.000 0.992 25 V HN 0.681 nan 8.190 nan 0.000 0.428 26 E N 2.883 123.174 120.200 0.152 0.000 2.224 26 E HA 0.399 4.749 4.350 0.000 0.000 0.265 26 E C -0.943 175.722 176.600 0.108 0.000 0.878 26 E CA -0.616 55.869 56.400 0.142 0.000 0.759 26 E CB 1.930 31.760 29.700 0.216 0.000 1.164 26 E HN 0.739 nan 8.360 nan 0.000 0.414 27 Q N 3.501 123.357 119.800 0.094 0.000 2.294 27 Q HA 0.155 4.495 4.340 0.000 0.000 0.257 27 Q C -0.999 175.053 176.000 0.087 0.000 0.955 27 Q CA -0.200 55.661 55.803 0.096 0.000 0.936 27 Q CB 0.883 29.671 28.738 0.083 0.000 1.188 27 Q HN 0.492 nan 8.270 nan 0.000 0.420 28 Q N 4.769 124.622 119.800 0.089 0.000 2.508 28 Q HA 0.176 4.516 4.340 0.000 0.000 0.247 28 Q C -0.727 175.318 176.000 0.075 0.000 1.047 28 Q CA -0.536 55.310 55.803 0.071 0.000 0.783 28 Q CB 1.031 29.802 28.738 0.056 0.000 1.172 28 Q HN 0.854 nan 8.270 nan 0.000 0.515 29 D N 1.729 122.170 120.400 0.070 0.000 3.955 29 D HA -0.233 4.407 4.640 0.000 0.000 0.142 29 D C 0.444 176.807 176.300 0.105 0.000 0.877 29 D CA 2.086 56.130 54.000 0.073 0.000 1.100 29 D CB -0.626 40.212 40.800 0.063 0.000 0.533 29 D HN 0.734 nan 8.370 nan 0.000 0.546 30 N N 2.112 120.890 118.700 0.129 0.000 2.313 30 N HA 0.093 4.833 4.740 0.000 0.000 0.207 30 N C -0.474 175.245 175.510 0.348 0.000 1.141 30 N CA 0.504 53.673 53.050 0.199 0.000 0.830 30 N CB 0.205 38.796 38.487 0.172 0.000 1.008 30 N HN 0.351 nan 8.380 nan 0.000 0.481 31 E N 0.125 120.478 120.200 0.256 0.000 2.266 31 E HA 0.306 4.656 4.350 0.000 0.000 0.268 31 E C -1.078 175.633 176.600 0.186 0.000 0.879 31 E CA -0.667 55.861 56.400 0.213 0.000 0.762 31 E CB 2.395 32.150 29.700 0.091 0.000 1.199 31 E HN 0.107 nan 8.360 nan 0.000 0.422 32 M N 3.202 122.901 119.600 0.164 0.000 2.167 32 M HA 0.355 4.835 4.480 0.000 0.000 0.333 32 M C -1.652 174.750 176.300 0.170 0.000 1.030 32 M CA -0.784 54.629 55.300 0.188 0.000 0.963 32 M CB 1.172 33.919 32.600 0.246 0.000 1.589 32 M HN 0.270 nan 8.290 nan 0.000 0.431 33 V N 5.676 125.640 119.914 0.084 0.000 2.459 33 V HA 0.540 4.660 4.120 0.000 0.000 0.295 33 V C -0.609 175.445 176.094 -0.067 0.000 1.029 33 V CA -0.712 61.557 62.300 -0.052 0.000 0.874 33 V CB 1.761 33.488 31.823 -0.161 0.000 0.985 33 V HN 0.654 nan 8.190 nan 0.000 0.438 34 V N 5.246 125.116 119.914 -0.073 0.000 2.444 34 V HA 0.437 4.557 4.120 0.000 0.000 0.294 34 V C -1.095 174.971 176.094 -0.046 0.000 1.022 34 V CA -0.764 61.573 62.300 0.062 0.000 0.850 34 V CB 1.552 33.558 31.823 0.304 0.000 0.992 34 V HN 0.744 nan 8.190 nan 0.000 0.426 35 Y N 3.012 123.474 120.300 0.271 0.000 2.327 35 Y HA 0.686 5.236 4.550 0.000 0.000 0.336 35 Y C 0.550 176.656 175.900 0.344 0.000 1.035 35 Y CA -0.423 57.852 58.100 0.291 0.000 1.165 35 Y CB 1.473 40.125 38.460 0.320 0.000 1.181 35 Y HN 0.690 nan 8.280 nan 0.000 0.494 36 A N 2.464 125.539 122.820 0.424 0.000 2.353 36 A HA 0.834 5.154 4.320 0.000 0.000 0.299 36 A C -0.623 177.105 177.584 0.240 0.000 1.089 36 A CA -0.688 51.541 52.037 0.320 0.000 0.736 36 A CB 0.455 19.550 19.000 0.158 0.000 1.195 36 A HN 0.823 nan 8.150 nan 0.000 0.447 37 A N 3.410 126.339 122.820 0.182 0.000 2.340 37 A HA 0.710 5.030 4.320 0.000 0.000 0.268 37 A C -1.990 175.633 177.584 0.066 0.000 1.100 37 A CA -1.499 50.599 52.037 0.102 0.000 0.803 37 A CB 0.148 19.194 19.000 0.076 0.000 1.043 37 A HN 0.502 nan 8.150 nan 0.000 0.488 38 P HA 0.115 nan 4.420 nan 0.000 0.253 38 P C -0.152 177.147 177.300 -0.001 0.000 1.260 38 P CA 0.404 63.540 63.100 0.061 0.000 0.800 38 P CB -0.096 31.644 31.700 0.068 0.000 1.162 39 R N -2.887 117.598 120.500 -0.025 0.000 2.756 39 R HA 0.421 4.761 4.340 0.000 0.000 0.273 39 R C -1.536 174.722 176.300 -0.069 0.000 1.030 39 R CA -0.887 55.164 56.100 -0.081 0.000 0.887 39 R CB -0.314 29.898 30.300 -0.148 0.000 1.274 39 R HN -0.359 nan 8.270 nan 0.000 0.461 40 D N 1.274 121.595 120.400 -0.132 0.000 2.382 40 D HA 0.148 4.788 4.640 0.000 0.000 0.259 40 D C 0.331 176.611 176.300 -0.032 0.000 1.224 40 D CA -0.025 53.921 54.000 -0.090 0.000 0.894 40 D CB 1.406 42.111 40.800 -0.159 0.000 1.127 40 D HN 0.481 nan 8.370 nan 0.000 0.487 41 V N 1.812 121.776 119.914 0.083 0.000 2.838 41 V HA 0.357 4.477 4.120 0.000 0.000 0.363 41 V C 1.492 177.716 176.094 0.217 0.000 1.324 41 V CA -0.554 61.844 62.300 0.164 0.000 1.220 41 V CB -0.007 31.875 31.823 0.098 0.000 1.328 41 V HN 0.343 nan 8.190 nan 0.000 0.595 42 R N 1.041 121.646 120.500 0.176 0.000 2.189 42 R HA 0.100 4.440 4.340 0.000 0.000 0.223 42 R C 0.350 176.753 176.300 0.172 0.000 1.092 42 R CA 1.047 57.246 56.100 0.165 0.000 0.989 42 R CB 0.208 30.572 30.300 0.106 0.000 0.876 42 R HN 0.721 nan 8.270 nan 0.000 0.457 43 E N -0.123 120.205 120.200 0.213 0.000 2.204 43 E HA 0.193 4.543 4.350 0.000 0.000 0.276 43 E C 0.338 177.029 176.600 0.151 0.000 0.974 43 E CA -0.623 55.888 56.400 0.185 0.000 0.815 43 E CB 1.302 31.140 29.700 0.231 0.000 1.119 43 E HN -0.004 nan 8.360 nan 0.000 0.393 44 R N 0.736 121.280 120.500 0.073 0.000 2.127 44 R HA -0.139 4.201 4.340 0.000 0.000 0.238 44 R C 2.068 178.336 176.300 -0.052 0.000 1.134 44 R CA 1.429 57.544 56.100 0.025 0.000 0.975 44 R CB -0.507 29.798 30.300 0.008 0.000 0.865 44 R HN 0.529 nan 8.270 nan 0.000 0.447 45 T N -0.736 113.729 114.554 -0.148 0.000 2.929 45 T HA -0.125 4.225 4.350 0.000 0.000 0.271 45 T C 0.872 175.276 174.700 -0.494 0.000 1.085 45 T CA 0.931 62.807 62.100 -0.374 0.000 1.125 45 T CB -0.113 68.436 68.868 -0.533 0.000 0.874 45 T HN 0.468 nan 8.240 nan 0.000 0.494 46 W N 0.978 122.268 121.300 -0.017 0.000 3.239 46 W HA 0.369 5.029 4.660 0.000 0.000 0.348 46 W C 1.341 177.824 176.519 -0.060 0.000 1.183 46 W CA -0.711 56.617 57.345 -0.029 0.000 1.819 46 W CB 0.394 29.845 29.460 -0.015 0.000 1.091 46 W HN 0.183 nan 8.180 nan 0.000 0.629 47 Q N 1.624 121.460 119.800 0.061 0.000 2.412 47 Q HA 0.267 4.607 4.340 0.000 0.000 0.298 47 Q C -0.543 175.410 176.000 -0.079 0.000 0.938 47 Q CA 0.119 55.893 55.803 -0.048 0.000 0.968 47 Q CB -0.352 28.345 28.738 -0.069 0.000 1.187 47 Q HN 0.268 nan 8.270 nan 0.000 0.421 48 L N -5.846 115.357 121.223 -0.033 0.000 3.020 48 L HA 0.488 4.828 4.340 0.000 0.000 0.273 48 L C -0.954 175.919 176.870 0.005 0.000 1.018 48 L CA -1.170 53.647 54.840 -0.040 0.000 0.950 48 L CB 0.942 42.969 42.059 -0.054 0.000 1.510 48 L HN -0.203 nan 8.230 nan 0.000 0.404 49 D N -0.005 120.394 120.400 -0.001 0.000 2.689 49 D HA -0.145 4.495 4.640 0.000 0.000 0.237 49 D C -0.299 176.031 176.300 0.050 0.000 1.148 49 D CA 1.807 55.822 54.000 0.025 0.000 0.656 49 D CB -0.565 40.257 40.800 0.037 0.000 1.050 49 D HN 1.016 nan 8.370 nan 0.000 0.426 50 T N -1.052 113.514 114.554 0.020 0.000 3.012 50 T HA 0.520 4.870 4.350 0.000 0.000 0.330 50 T C -2.609 172.074 174.700 -0.028 0.000 1.321 50 T CA -1.207 60.898 62.100 0.009 0.000 1.067 50 T CB 1.747 70.627 68.868 0.020 0.000 1.235 50 T HN -0.220 nan 8.240 nan 0.000 0.479 51 P HA 0.554 nan 4.420 nan 0.000 0.273 51 P C -1.233 175.974 177.300 -0.156 0.000 1.250 51 P CA -0.788 62.241 63.100 -0.118 0.000 0.793 51 P CB 0.471 32.040 31.700 -0.218 0.000 1.011 52 L N 0.705 121.795 121.223 -0.222 0.000 2.526 52 L HA 0.420 4.760 4.340 0.000 0.000 0.263 52 L C -1.444 175.322 176.870 -0.172 0.000 0.943 52 L CA -0.601 54.166 54.840 -0.121 0.000 0.859 52 L CB 1.335 43.375 42.059 -0.031 0.000 1.313 52 L HN 0.293 nan 8.230 nan 0.000 0.406 53 F N 1.353 121.347 119.950 0.073 0.000 2.397 53 F HA 0.476 5.003 4.527 0.000 0.000 0.331 53 F C 0.593 176.456 175.800 0.105 0.000 1.090 53 F CA -0.246 57.790 58.000 0.059 0.000 1.065 53 F CB 2.192 41.188 39.000 -0.007 0.000 1.184 53 F HN 0.275 nan 8.300 nan 0.000 0.499 54 T N 4.643 119.354 114.554 0.262 0.000 2.809 54 T HA 0.540 4.890 4.350 0.000 0.000 0.296 54 T C -0.723 173.988 174.700 0.019 0.000 1.015 54 T CA -0.504 61.651 62.100 0.091 0.000 0.954 54 T CB 0.535 69.451 68.868 0.079 0.000 0.950 54 T HN 0.132 nan 8.240 nan 0.000 0.450 55 L N 3.389 124.577 121.223 -0.059 0.000 2.295 55 L HA 0.618 4.958 4.340 0.000 0.000 0.285 55 L C 0.354 177.039 176.870 -0.308 0.000 1.035 55 L CA -0.445 54.282 54.840 -0.188 0.000 0.806 55 L CB 1.277 43.254 42.059 -0.136 0.000 1.214 55 L HN 0.445 nan 8.230 nan 0.000 0.426 56 R N 2.726 122.983 120.500 -0.406 0.000 2.480 56 R HA 0.594 4.934 4.340 0.000 0.000 0.306 56 R C -1.713 174.344 176.300 -0.406 0.000 0.958 56 R CA -0.494 55.430 56.100 -0.293 0.000 0.861 56 R CB 0.951 31.137 30.300 -0.190 0.000 1.171 56 R HN 0.376 nan 8.270 nan 0.000 0.445 57 F N 6.017 125.867 119.950 -0.166 0.000 2.444 57 F HA 0.493 5.020 4.527 0.000 0.000 0.342 57 F C -0.373 174.994 175.800 -0.721 0.000 1.121 57 F CA -0.542 57.174 58.000 -0.475 0.000 0.997 57 F CB 1.239 39.853 39.000 -0.643 0.000 1.130 57 F HN 0.421 nan 8.300 nan 0.000 0.454 58 F N -0.261 119.268 119.950 -0.702 0.000 2.685 58 F HA 0.751 5.278 4.527 0.000 0.000 0.315 58 F C -0.925 174.870 175.800 -0.008 0.000 1.126 58 F CA -1.803 55.952 58.000 -0.409 0.000 0.950 58 F CB 1.478 40.413 39.000 -0.108 0.000 1.360 58 F HN 0.182 nan 8.300 nan 0.000 0.469 59 S N 1.814 117.731 115.700 0.362 0.000 2.707 59 S HA 0.499 4.969 4.470 0.000 0.000 0.312 59 S C -1.993 172.714 174.600 0.178 0.000 1.116 59 S CA -1.526 56.807 58.200 0.221 0.000 1.078 59 S CB 1.259 64.663 63.200 0.340 0.000 0.997 59 S HN 0.586 nan 8.310 nan 0.000 0.477 60 P HA 0.086 nan 4.420 nan 0.000 0.227 60 P C -0.411 176.852 177.300 -0.061 0.000 1.161 60 P CA 0.658 63.795 63.100 0.061 0.000 0.788 60 P CB 0.321 32.010 31.700 -0.018 0.000 0.822 61 Q N -0.740 118.957 119.800 -0.172 0.000 2.435 61 Q HA 0.187 4.527 4.340 0.000 0.000 0.282 61 Q C -0.445 175.488 176.000 -0.112 0.000 1.020 61 Q CA -0.708 55.008 55.803 -0.144 0.000 0.820 61 Q CB 1.713 30.316 28.738 -0.226 0.000 1.436 61 Q HN 0.014 nan 8.270 nan 0.000 0.395 62 E N 0.243 120.399 120.200 -0.073 0.000 2.502 62 E HA 0.059 4.409 4.350 0.000 0.000 0.261 62 E C 0.591 177.151 176.600 -0.066 0.000 0.974 62 E CA 1.666 58.031 56.400 -0.058 0.000 0.936 62 E CB 0.283 29.954 29.700 -0.049 0.000 0.926 62 E HN 0.804 nan 8.360 nan 0.000 0.459 63 G N 4.245 113.017 108.800 -0.047 0.000 2.166 63 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 63 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 63 G C 0.315 175.195 174.900 -0.033 0.000 0.986 63 G CA 0.537 45.618 45.100 -0.031 0.000 0.683 63 G HN 0.515 nan 8.290 nan 0.000 0.527 64 I N 0.405 120.934 120.570 -0.067 0.000 2.406 64 I HA 0.475 4.645 4.170 0.000 0.000 0.290 64 I C -0.115 176.000 176.117 -0.003 0.000 0.999 64 I CA -1.119 60.124 61.300 -0.095 0.000 1.124 64 I CB 2.160 39.951 38.000 -0.348 0.000 1.289 64 I HN -0.146 nan 8.210 nan 0.000 0.441 65 V N 5.202 125.155 119.914 0.065 0.000 2.357 65 V HA 0.464 4.584 4.120 0.000 0.000 0.284 65 V C 0.649 176.674 176.094 -0.115 0.000 1.018 65 V CA -0.552 61.803 62.300 0.091 0.000 0.841 65 V CB 1.523 33.516 31.823 0.283 0.000 0.991 65 V HN 0.894 nan 8.190 nan 0.000 0.437 66 G N 3.737 112.213 108.800 -0.539 0.000 2.390 66 G HA2 0.513 4.473 3.960 0.000 0.000 0.270 66 G HA3 0.513 4.473 3.960 0.000 0.000 0.270 66 G C -0.756 173.625 174.900 -0.865 0.000 1.211 66 G CA -0.204 44.158 45.100 -1.230 0.000 0.842 66 G HN 0.564 nan 8.290 nan 0.000 0.519 67 V N 3.290 122.716 119.914 -0.814 0.000 2.409 67 V HA 0.448 4.568 4.120 0.000 0.000 0.290 67 V C 0.142 175.909 176.094 -0.545 0.000 1.017 67 V CA -0.852 61.005 62.300 -0.739 0.000 0.841 67 V CB 1.422 32.739 31.823 -0.844 0.000 1.003 67 V HN 0.815 nan 8.190 nan 0.000 0.426 68 R N 4.744 125.057 120.500 -0.311 0.000 2.310 68 R HA 0.672 5.012 4.340 0.000 0.000 0.324 68 R C -1.110 175.129 176.300 -0.100 0.000 0.955 68 R CA -0.576 55.473 56.100 -0.086 0.000 0.830 68 R CB 1.425 31.715 30.300 -0.016 0.000 1.154 68 R HN 0.792 nan 8.270 nan 0.000 0.458 69 I N 3.406 123.994 120.570 0.031 0.000 2.362 69 I HA 0.324 4.494 4.170 0.000 0.000 0.289 69 I C -0.982 175.272 176.117 0.228 0.000 0.994 69 I CA -0.205 61.140 61.300 0.075 0.000 1.158 69 I CB 1.295 39.303 38.000 0.014 0.000 1.315 69 I HN 0.645 nan 8.210 nan 0.000 0.451 70 E N 6.255 126.602 120.200 0.246 0.000 2.212 70 E HA 0.266 4.616 4.350 0.000 0.000 0.268 70 E C -0.540 176.219 176.600 0.265 0.000 0.902 70 E CA -0.641 55.921 56.400 0.271 0.000 0.779 70 E CB 2.184 31.982 29.700 0.163 0.000 1.172 70 E HN 0.686 nan 8.360 nan 0.000 0.409 71 H N 2.724 121.815 119.070 0.036 0.000 2.396 71 H HA 0.190 4.746 4.556 0.000 0.000 0.330 71 H C -0.295 174.961 175.328 -0.120 0.000 1.271 71 H CA 0.049 55.902 56.048 -0.325 0.000 1.927 71 H CB 0.296 29.572 29.762 -0.809 0.000 1.537 71 H HN 0.322 nan 8.280 nan 0.000 0.627 72 F N 2.108 121.814 119.950 -0.407 0.000 2.420 72 F HA 0.206 4.733 4.527 0.000 0.000 0.352 72 F C 1.415 177.156 175.800 -0.098 0.000 1.108 72 F CA -0.331 57.471 58.000 -0.330 0.000 1.162 72 F CB 1.451 40.279 39.000 -0.287 0.000 1.118 72 F HN 0.406 nan 8.300 nan 0.000 0.510 73 Q N 1.926 121.784 119.800 0.097 0.000 2.432 73 Q HA 0.052 4.392 4.340 0.000 0.000 0.205 73 Q C 2.014 178.029 176.000 0.026 0.000 0.945 73 Q CA 0.612 56.441 55.803 0.044 0.000 0.924 73 Q CB 0.154 28.894 28.738 0.003 0.000 1.016 73 Q HN 1.017 nan 8.270 nan 0.000 0.503 74 G N 0.788 109.592 108.800 0.007 0.000 2.776 74 G HA2 0.118 4.078 3.960 0.000 0.000 0.209 74 G HA3 0.118 4.078 3.960 0.000 0.000 0.209 74 G C 0.488 175.405 174.900 0.029 0.000 1.145 74 G CA 0.359 45.447 45.100 -0.020 0.000 0.791 74 G HN 0.338 nan 8.290 nan 0.000 0.530 75 A N -0.315 122.560 122.820 0.091 0.000 2.406 75 A HA 0.499 4.819 4.320 0.000 0.000 0.243 75 A C 1.522 179.160 177.584 0.091 0.000 1.082 75 A CA -0.427 51.679 52.037 0.116 0.000 0.786 75 A CB 0.456 19.564 19.000 0.181 0.000 1.029 75 A HN 0.178 nan 8.150 nan 0.000 0.495 76 L N 0.558 121.835 121.223 0.090 0.000 2.046 76 L HA -0.175 4.165 4.340 0.000 0.000 0.208 76 L C 0.514 177.442 176.870 0.097 0.000 1.077 76 L CA 1.491 56.378 54.840 0.077 0.000 0.747 76 L CB -0.697 41.405 42.059 0.071 0.000 0.896 76 L HN 0.942 nan 8.230 nan 0.000 0.432 77 N N 1.190 119.975 118.700 0.141 0.000 2.650 77 N HA -0.178 4.562 4.740 0.000 0.000 0.272 77 N C -0.570 175.042 175.510 0.170 0.000 1.058 77 N CA -0.193 52.972 53.050 0.192 0.000 0.765 77 N CB -1.039 37.560 38.487 0.186 0.000 0.902 77 N HN 0.371 nan 8.380 nan 0.000 0.551 78 N N 0.330 119.100 118.700 0.116 0.000 2.483 78 N HA 0.279 5.019 4.740 0.000 0.000 0.269 78 N C 1.103 176.546 175.510 -0.110 0.000 1.209 78 N CA 0.208 53.282 53.050 0.041 0.000 0.969 78 N CB 0.700 39.204 38.487 0.028 0.000 1.173 78 N HN 0.393 nan 8.380 nan 0.000 0.475 79 G N 0.421 109.044 108.800 -0.295 0.000 2.553 79 G HA2 0.265 4.225 3.960 0.000 0.000 0.278 79 G HA3 0.265 4.225 3.960 0.000 0.000 0.278 79 G C -2.341 172.343 174.900 -0.359 0.000 1.349 79 G CA -0.577 44.139 45.100 -0.640 0.000 1.037 79 G HN 0.346 nan 8.290 nan 0.000 0.508 80 P HA 0.220 nan 4.420 nan 0.000 0.276 80 P C -0.890 175.969 177.300 -0.735 0.000 1.252 80 P CA -0.130 62.633 63.100 -0.563 0.000 0.802 80 P CB 1.065 32.404 31.700 -0.601 0.000 1.035 81 H N -0.660 118.215 119.070 -0.325 0.000 2.670 81 H HA 0.305 4.861 4.556 0.000 0.000 0.361 81 H C 0.062 175.207 175.328 -0.306 0.000 1.169 81 H CA -0.312 55.568 56.048 -0.279 0.000 1.198 81 H CB 0.238 29.927 29.762 -0.122 0.000 1.700 81 H HN 0.338 nan 8.280 nan 0.000 0.542 82 Y N 1.784 122.040 120.300 -0.073 0.000 2.578 82 Y HA 0.030 4.580 4.550 0.000 0.000 0.339 82 Y C -1.362 174.410 175.900 -0.212 0.000 1.231 82 Y CA -1.867 56.131 58.100 -0.170 0.000 1.461 82 Y CB -0.014 38.363 38.460 -0.139 0.000 1.323 82 Y HN 0.352 nan 8.280 nan 0.000 0.590 83 P HA 0.070 nan 4.420 nan 0.000 0.226 83 P C -0.871 176.268 177.300 -0.269 0.000 1.783 83 P CA -0.042 62.953 63.100 -0.176 0.000 0.980 83 P CB -0.297 31.253 31.700 -0.251 0.000 1.967 84 L N 1.984 123.028 121.223 -0.298 0.000 2.397 84 L HA 0.184 4.524 4.340 0.000 0.000 0.271 84 L C 0.981 177.690 176.870 -0.268 0.000 1.148 84 L CA 0.363 54.887 54.840 -0.527 0.000 0.825 84 L CB -0.292 41.402 42.059 -0.608 0.000 1.117 84 L HN 0.106 nan 8.230 nan 0.000 0.456 85 N N 4.684 123.244 118.700 -0.233 0.000 2.469 85 N HA 0.300 5.040 4.740 0.000 0.000 0.239 85 N C -0.555 175.035 175.510 0.133 0.000 1.053 85 N CA 0.011 53.045 53.050 -0.027 0.000 0.937 85 N CB 0.928 39.397 38.487 -0.030 0.000 1.163 85 N HN 0.435 nan 8.380 nan 0.000 0.509 86 I N 3.323 123.962 120.570 0.114 0.000 2.354 86 I HA 0.258 4.428 4.170 0.000 0.000 0.286 86 I C 0.155 176.338 176.117 0.111 0.000 1.007 86 I CA -0.617 60.786 61.300 0.172 0.000 1.167 86 I CB 1.199 39.315 38.000 0.193 0.000 1.320 86 I HN 0.155 nan 8.210 nan 0.000 0.458 87 L N 6.202 127.484 121.223 0.098 0.000 2.371 87 L HA 0.236 4.576 4.340 0.000 0.000 0.272 87 L C 1.149 178.076 176.870 0.094 0.000 1.124 87 L CA -0.408 54.476 54.840 0.073 0.000 0.816 87 L CB 0.770 42.857 42.059 0.047 0.000 1.129 87 L HN 0.593 nan 8.230 nan 0.000 0.448 88 Q N 1.603 121.447 119.800 0.074 0.000 2.360 88 Q HA 0.001 4.341 4.340 0.000 0.000 0.202 88 Q C -0.027 176.018 176.000 0.076 0.000 0.915 88 Q CA 0.403 56.254 55.803 0.079 0.000 0.943 88 Q CB 0.380 29.152 28.738 0.056 0.000 1.064 88 Q HN 0.743 nan 8.270 nan 0.000 0.511 89 D N -1.303 119.135 120.400 0.063 0.000 2.673 89 D HA 0.067 4.707 4.640 0.000 0.000 0.278 89 D C 0.059 176.384 176.300 0.042 0.000 1.393 89 D CA -0.387 53.643 54.000 0.050 0.000 0.805 89 D CB -0.132 40.688 40.800 0.033 0.000 1.110 89 D HN -0.257 nan 8.370 nan 0.000 0.476 90 V N 1.197 121.145 119.914 0.056 0.000 2.673 90 V HA -0.028 4.092 4.120 0.000 0.000 0.303 90 V C 0.851 176.958 176.094 0.021 0.000 1.046 90 V CA -0.133 62.188 62.300 0.036 0.000 1.126 90 V CB 0.741 32.595 31.823 0.051 0.000 0.934 90 V HN 0.201 nan 8.190 nan 0.000 0.487 91 K N 5.110 125.503 120.400 -0.012 0.000 2.312 91 K HA 0.492 4.812 4.320 0.000 0.000 0.287 91 K C -0.621 175.929 176.600 -0.084 0.000 1.062 91 K CA -0.403 55.863 56.287 -0.035 0.000 0.934 91 K CB 0.907 33.384 32.500 -0.037 0.000 1.027 91 K HN 0.634 nan 8.250 nan 0.000 0.478 92 V N 0.288 120.130 119.914 -0.120 0.000 3.102 92 V HA 0.601 4.721 4.120 0.000 0.000 0.312 92 V C -0.725 175.224 176.094 -0.242 0.000 1.135 92 V CA -0.759 61.377 62.300 -0.274 0.000 1.022 92 V CB 1.984 33.542 31.823 -0.441 0.000 1.056 92 V HN 0.692 nan 8.190 nan 0.000 0.436 93 T N 3.427 117.787 114.554 -0.322 0.000 2.807 93 T HA 0.735 5.085 4.350 0.000 0.000 0.279 93 T C -0.548 174.010 174.700 -0.235 0.000 0.993 93 T CA -0.077 61.894 62.100 -0.214 0.000 0.970 93 T CB 0.953 69.717 68.868 -0.174 0.000 0.950 93 T HN 0.652 nan 8.240 nan 0.000 0.441 94 I N 3.773 124.278 120.570 -0.108 0.000 2.418 94 I HA 0.354 4.524 4.170 0.000 0.000 0.287 94 I C -0.056 176.046 176.117 -0.025 0.000 1.008 94 I CA -0.686 60.594 61.300 -0.034 0.000 1.104 94 I CB 1.556 39.601 38.000 0.075 0.000 1.264 94 I HN 0.649 nan 8.210 nan 0.000 0.438 95 E N 5.207 125.388 120.200 -0.032 0.000 2.216 95 E HA 0.361 4.711 4.350 0.000 0.000 0.260 95 E C -1.221 175.376 176.600 -0.004 0.000 0.880 95 E CA -0.885 55.504 56.400 -0.019 0.000 0.765 95 E CB 1.864 31.546 29.700 -0.030 0.000 1.174 95 E HN 0.365 nan 8.360 nan 0.000 0.417 96 N N 3.321 122.026 118.700 0.007 0.000 2.609 96 N HA 0.159 4.899 4.740 0.000 0.000 0.234 96 N C -1.123 174.392 175.510 0.009 0.000 1.001 96 N CA -0.120 52.937 53.050 0.013 0.000 0.926 96 N CB 1.227 39.727 38.487 0.021 0.000 1.130 96 N HN 0.694 nan 8.380 nan 0.000 0.510 97 T N -0.559 114.003 114.554 0.012 0.000 2.870 97 T HA 0.338 4.688 4.350 0.000 0.000 0.277 97 T C 1.091 175.776 174.700 -0.025 0.000 1.000 97 T CA -0.569 61.531 62.100 -0.000 0.000 0.982 97 T CB 1.227 70.103 68.868 0.014 0.000 1.249 97 T HN 0.330 nan 8.240 nan 0.000 0.589 98 E N -0.057 120.117 120.200 -0.043 0.000 2.085 98 E HA -0.139 4.211 4.350 0.000 0.000 0.194 98 E C 2.281 178.812 176.600 -0.115 0.000 0.994 98 E CA 1.287 57.649 56.400 -0.064 0.000 0.801 98 E CB 0.029 29.692 29.700 -0.062 0.000 0.743 98 E HN 0.588 nan 8.360 nan 0.000 0.453 99 R N -1.917 118.467 120.500 -0.192 0.000 2.128 99 R HA 0.151 4.491 4.340 0.000 0.000 0.211 99 R C -0.129 175.866 176.300 -0.508 0.000 1.067 99 R CA 0.490 56.329 56.100 -0.435 0.000 1.010 99 R CB 0.450 30.349 30.300 -0.669 0.000 0.922 99 R HN 0.134 nan 8.270 nan 0.000 0.457 100 Y N -1.794 118.466 120.300 -0.067 0.000 2.588 100 Y HA 0.565 5.115 4.550 0.000 0.000 0.343 100 Y C -0.984 174.852 175.900 -0.108 0.000 1.065 100 Y CA -1.499 56.536 58.100 -0.108 0.000 1.038 100 Y CB 2.202 40.590 38.460 -0.119 0.000 1.297 100 Y HN -0.135 nan 8.280 nan 0.000 0.467 101 A N 1.863 124.711 122.820 0.047 0.000 2.335 101 A HA 0.636 4.956 4.320 0.000 0.000 0.304 101 A C -1.340 176.149 177.584 -0.159 0.000 1.118 101 A CA -0.547 51.463 52.037 -0.045 0.000 0.757 101 A CB 1.268 20.236 19.000 -0.054 0.000 1.188 101 A HN 0.734 nan 8.150 nan 0.000 0.460 102 E N 2.027 122.144 120.200 -0.137 0.000 2.224 102 E HA 0.575 4.925 4.350 0.000 0.000 0.265 102 E C -1.898 174.634 176.600 -0.113 0.000 0.878 102 E CA -0.480 55.803 56.400 -0.194 0.000 0.759 102 E CB 1.285 30.876 29.700 -0.182 0.000 1.164 102 E HN 0.551 nan 8.360 nan 0.000 0.414 103 F N 4.368 124.135 119.950 -0.305 0.000 2.449 103 F HA 0.489 5.016 4.527 0.000 0.000 0.342 103 F C -0.964 174.754 175.800 -0.138 0.000 1.127 103 F CA -0.628 57.258 58.000 -0.189 0.000 0.975 103 F CB 1.007 39.892 39.000 -0.192 0.000 1.146 103 F HN 0.283 nan 8.300 nan 0.000 0.444 104 K N 4.108 124.128 120.400 -0.634 0.000 2.324 104 K HA 0.583 4.903 4.320 0.000 0.000 0.253 104 K C -1.470 174.812 176.600 -0.529 0.000 0.932 104 K CA -0.690 55.345 56.287 -0.419 0.000 0.799 104 K CB 1.812 34.158 32.500 -0.257 0.000 1.154 104 K HN 0.573 nan 8.250 nan 0.000 0.425 105 S N 2.885 118.423 115.700 -0.269 0.000 2.756 105 S HA 0.584 5.054 4.470 0.000 0.000 0.303 105 S C 0.164 174.708 174.600 -0.093 0.000 1.135 105 S CA 0.439 58.532 58.200 -0.179 0.000 1.066 105 S CB 0.625 63.786 63.200 -0.065 0.000 1.008 105 S HN 1.062 nan 8.310 nan 0.000 0.482 106 G N 5.428 114.172 108.800 -0.094 0.000 2.565 106 G HA2 -0.313 3.647 3.960 0.000 0.000 0.295 106 G HA3 -0.313 3.647 3.960 0.000 0.000 0.295 106 G C 0.498 175.361 174.900 -0.062 0.000 1.165 106 G CA 0.479 45.539 45.100 -0.065 0.000 0.977 106 G HN 0.665 nan 8.290 nan 0.000 0.546 107 N N 0.393 119.067 118.700 -0.042 0.000 2.353 107 N HA 0.196 4.936 4.740 0.000 0.000 0.185 107 N C 0.508 176.000 175.510 -0.030 0.000 1.098 107 N CA 0.379 53.406 53.050 -0.037 0.000 0.872 107 N CB 0.406 38.879 38.487 -0.024 0.000 0.970 107 N HN 0.454 nan 8.380 nan 0.000 0.467 108 L N 1.313 122.525 121.223 -0.019 0.000 2.289 108 L HA 0.385 4.725 4.340 0.000 0.000 0.285 108 L C 0.089 176.964 176.870 0.009 0.000 1.049 108 L CA -0.416 54.433 54.840 0.015 0.000 0.804 108 L CB 1.233 43.321 42.059 0.049 0.000 1.195 108 L HN 0.029 nan 8.230 nan 0.000 0.428 109 S N 3.745 119.453 115.700 0.012 0.000 2.599 109 S HA 0.963 5.433 4.470 0.000 0.000 0.287 109 S C -0.768 173.828 174.600 -0.007 0.000 1.105 109 S CA -0.414 57.776 58.200 -0.017 0.000 0.899 109 S CB 1.702 64.834 63.200 -0.113 0.000 1.100 109 S HN 1.035 nan 8.310 nan 0.000 0.482 110 A N 1.640 124.411 122.820 -0.081 0.000 2.303 110 A HA 0.804 5.124 4.320 0.000 0.000 0.320 110 A C -0.208 177.068 177.584 -0.514 0.000 1.192 110 A CA -0.820 50.984 52.037 -0.389 0.000 0.821 110 A CB 0.867 19.659 19.000 -0.346 0.000 1.188 110 A HN 0.870 nan 8.150 nan 0.000 0.492 111 R N 2.710 122.871 120.500 -0.564 0.000 2.476 111 R HA 0.590 4.930 4.340 0.000 0.000 0.305 111 R C -1.796 174.201 176.300 -0.504 0.000 0.965 111 R CA -0.342 55.454 56.100 -0.507 0.000 0.867 111 R CB 1.591 31.587 30.300 -0.507 0.000 1.176 111 R HN 0.489 nan 8.270 nan 0.000 0.447 112 V N 3.128 122.776 119.914 -0.442 0.000 2.427 112 V HA 0.282 4.402 4.120 0.000 0.000 0.286 112 V C 0.067 176.024 176.094 -0.228 0.000 1.034 112 V CA -0.632 61.382 62.300 -0.476 0.000 0.893 112 V CB 1.742 33.265 31.823 -0.500 0.000 0.982 112 V HN 0.776 nan 8.190 nan 0.000 0.452 113 S N 4.902 120.453 115.700 -0.249 0.000 2.499 113 S HA 0.312 4.782 4.470 0.000 0.000 0.275 113 S C 0.152 174.708 174.600 -0.074 0.000 1.257 113 S CA -0.558 57.633 58.200 -0.014 0.000 1.050 113 S CB 0.326 63.541 63.200 0.025 0.000 0.937 113 S HN 0.613 nan 8.310 nan 0.000 0.490 114 K N 1.774 122.146 120.400 -0.046 0.000 2.107 114 K HA 0.601 4.921 4.320 0.000 0.000 0.251 114 K C 0.953 177.566 176.600 0.022 0.000 1.012 114 K CA -0.096 56.192 56.287 0.002 0.000 0.920 114 K CB 0.587 33.070 32.500 -0.027 0.000 1.033 114 K HN 0.854 nan 8.250 nan 0.000 0.478 115 G N 0.894 109.727 108.800 0.055 0.000 2.568 115 G HA2 -0.272 3.688 3.960 0.000 0.000 0.222 115 G HA3 -0.272 3.688 3.960 0.000 0.000 0.222 115 G C 0.625 175.543 174.900 0.030 0.000 1.321 115 G CA 0.120 45.241 45.100 0.035 0.000 0.893 115 G HN 0.698 nan 8.290 nan 0.000 0.569 116 E N -0.661 119.497 120.200 -0.072 0.000 2.031 116 E HA -0.049 4.301 4.350 0.000 0.000 0.193 116 E C 0.813 177.235 176.600 -0.296 0.000 0.994 116 E CA 1.211 57.443 56.400 -0.280 0.000 0.800 116 E CB -0.097 29.256 29.700 -0.578 0.000 0.752 116 E HN 0.314 nan 8.360 nan 0.000 0.447 117 F N 1.390 121.391 119.950 0.084 0.000 2.619 117 F HA 0.072 4.599 4.527 0.000 0.000 0.350 117 F C 0.476 176.366 175.800 0.149 0.000 1.259 117 F CA -0.548 57.515 58.000 0.104 0.000 1.204 117 F CB -0.264 38.770 39.000 0.058 0.000 1.556 117 F HN 0.126 nan 8.300 nan 0.000 0.650 118 W N 3.456 124.827 121.300 0.117 0.000 2.314 118 W HA 0.245 4.905 4.660 0.000 0.000 0.339 118 W C -0.504 176.071 176.519 0.093 0.000 1.293 118 W CA 0.556 57.956 57.345 0.091 0.000 1.288 118 W CB 0.980 30.474 29.460 0.056 0.000 1.186 118 W HN 0.378 nan 8.180 nan 0.000 0.566 119 S N 6.544 121.906 115.700 -0.563 0.000 2.535 119 S HA 0.485 4.955 4.470 0.000 0.000 0.272 119 S C -1.599 172.581 174.600 -0.700 0.000 1.149 119 S CA -0.854 57.099 58.200 -0.411 0.000 0.888 119 S CB 1.027 64.141 63.200 -0.143 0.000 1.110 119 S HN 0.516 nan 8.310 nan 0.000 0.463 120 L N 4.117 125.098 121.223 -0.404 0.000 2.345 120 L HA 0.597 4.937 4.340 0.000 0.000 0.274 120 L C -1.516 175.140 176.870 -0.356 0.000 0.999 120 L CA -0.428 54.178 54.840 -0.390 0.000 0.849 120 L CB 0.996 42.964 42.059 -0.152 0.000 1.220 120 L HN 0.652 nan 8.230 nan 0.000 0.422 121 D N 4.843 124.961 120.400 -0.469 0.000 2.256 121 D HA 0.388 5.028 4.640 0.000 0.000 0.246 121 D C -0.886 175.055 176.300 -0.598 0.000 1.042 121 D CA 0.069 53.838 54.000 -0.384 0.000 0.841 121 D CB 1.949 42.587 40.800 -0.269 0.000 1.223 121 D HN 0.176 nan 8.370 nan 0.000 0.470 122 F N 1.291 121.182 119.950 -0.098 0.000 2.415 122 F HA 0.341 4.868 4.527 0.000 0.000 0.348 122 F C -0.100 175.622 175.800 -0.130 0.000 1.119 122 F CA -0.868 57.068 58.000 -0.106 0.000 1.069 122 F CB 0.926 39.862 39.000 -0.106 0.000 1.124 122 F HN -0.054 nan 8.300 nan 0.000 0.472 123 L N 3.441 124.670 121.223 0.011 0.000 2.346 123 L HA 0.546 4.886 4.340 0.000 0.000 0.274 123 L C -0.335 176.526 176.870 -0.015 0.000 1.007 123 L CA -1.124 53.691 54.840 -0.041 0.000 0.818 123 L CB 1.867 43.860 42.059 -0.111 0.000 1.284 123 L HN 0.574 nan 8.230 nan 0.000 0.424 124 R N 2.865 123.356 120.500 -0.016 0.000 2.360 124 R HA 0.393 4.733 4.340 0.000 0.000 0.318 124 R C -0.375 175.912 176.300 -0.022 0.000 0.950 124 R CA -0.372 55.724 56.100 -0.008 0.000 0.837 124 R CB 0.416 30.724 30.300 0.013 0.000 1.165 124 R HN 0.649 nan 8.270 nan 0.000 0.458 125 N N 3.602 122.283 118.700 -0.032 0.000 2.686 125 N HA -0.222 4.518 4.740 0.000 0.000 0.261 125 N C 0.530 176.012 175.510 -0.047 0.000 1.001 125 N CA 1.589 54.615 53.050 -0.039 0.000 0.764 125 N CB -0.872 37.598 38.487 -0.028 0.000 0.898 125 N HN 1.114 nan 8.380 nan 0.000 0.544 126 G N -0.713 108.047 108.800 -0.066 0.000 2.196 126 G HA2 -0.347 3.613 3.960 0.000 0.000 0.268 126 G HA3 -0.347 3.613 3.960 0.000 0.000 0.268 126 G C -0.105 174.751 174.900 -0.073 0.000 0.975 126 G CA 1.007 46.057 45.100 -0.084 0.000 0.648 126 G HN 0.642 nan 8.290 nan 0.000 0.538 127 E N -0.166 120.004 120.200 -0.050 0.000 2.166 127 E HA 0.437 4.787 4.350 0.000 0.000 0.275 127 E C 0.391 176.971 176.600 -0.033 0.000 0.941 127 E CA -0.942 55.435 56.400 -0.037 0.000 0.784 127 E CB 1.274 30.963 29.700 -0.017 0.000 1.115 127 E HN 0.273 nan 8.360 nan 0.000 0.399 128 R N 3.405 123.883 120.500 -0.036 0.000 2.446 128 R HA 0.021 4.361 4.340 0.000 0.000 0.325 128 R C 1.064 177.361 176.300 -0.004 0.000 0.997 128 R CA 0.194 56.276 56.100 -0.029 0.000 1.010 128 R CB 0.065 30.346 30.300 -0.031 0.000 0.946 128 R HN 0.653 nan 8.270 nan 0.000 0.422 129 I N -0.271 120.289 120.570 -0.017 0.000 3.265 129 I HA 0.226 4.396 4.170 0.000 0.000 0.282 129 I C 0.750 176.812 176.117 -0.092 0.000 1.207 129 I CA -0.014 61.268 61.300 -0.030 0.000 1.449 129 I CB 0.557 38.525 38.000 -0.053 0.000 1.121 129 I HN 0.489 nan 8.210 nan 0.000 0.442 130 T N -0.979 113.520 114.554 -0.092 0.000 2.661 130 T HA 0.687 5.037 4.350 0.000 0.000 0.305 130 T C -1.024 173.781 174.700 0.175 0.000 1.535 130 T CA 0.024 62.116 62.100 -0.014 0.000 1.000 130 T CB 1.139 69.873 68.868 -0.225 0.000 1.811 130 T HN 0.657 nan 8.240 nan 0.000 0.471 131 G N 0.287 109.248 108.800 0.269 0.000 2.320 131 G HA2 0.456 4.416 3.960 0.000 0.000 0.297 131 G HA3 0.456 4.416 3.960 0.000 0.000 0.297 131 G C -1.510 173.533 174.900 0.238 0.000 1.344 131 G CA 0.291 45.575 45.100 0.307 0.000 0.851 131 G HN 0.900 nan 8.290 nan 0.000 0.567 132 S N -0.279 115.535 115.700 0.191 0.000 2.707 132 S HA 0.540 5.010 4.470 0.000 0.000 0.312 132 S C -0.041 174.640 174.600 0.134 0.000 1.116 132 S CA -0.428 57.867 58.200 0.159 0.000 1.078 132 S CB 0.896 64.225 63.200 0.216 0.000 0.997 132 S HN 0.558 nan 8.310 nan 0.000 0.477 133 Q N 1.736 121.596 119.800 0.101 0.000 2.368 133 Q HA 0.306 4.646 4.340 0.000 0.000 0.237 133 Q C 0.111 176.198 176.000 0.145 0.000 0.987 133 Q CA -0.453 55.415 55.803 0.108 0.000 0.896 133 Q CB 1.068 29.841 28.738 0.059 0.000 1.241 133 Q HN 0.562 nan 8.270 nan 0.000 0.485 134 V N 3.079 123.120 119.914 0.211 0.000 2.752 134 V HA -0.192 3.928 4.120 0.000 0.000 0.306 134 V C 0.408 176.460 176.094 -0.071 0.000 1.099 134 V CA 1.286 63.679 62.300 0.155 0.000 1.240 134 V CB -0.300 31.642 31.823 0.198 0.000 0.887 134 V HN 0.873 nan 8.190 nan 0.000 0.499 135 K N 2.991 123.236 120.400 -0.259 0.000 3.547 135 K HA -0.177 4.143 4.320 0.000 0.000 0.309 135 K C 0.629 176.983 176.600 -0.410 0.000 1.324 135 K CA 1.275 57.173 56.287 -0.649 0.000 0.988 135 K CB -1.384 30.766 32.500 -0.584 0.000 1.261 135 K HN 0.843 nan 8.250 nan 0.000 0.444 136 N N 1.436 120.035 118.700 -0.168 0.000 2.314 136 N HA -0.002 4.738 4.740 0.000 0.000 0.200 136 N C -0.089 175.243 175.510 -0.297 0.000 1.135 136 N CA 0.468 53.493 53.050 -0.042 0.000 0.835 136 N CB 0.169 38.651 38.487 -0.008 0.000 0.989 136 N HN 0.483 nan 8.380 nan 0.000 0.478 137 N N -0.941 117.438 118.700 -0.536 0.000 2.972 137 N HA 0.681 5.421 4.740 0.000 0.000 0.262 137 N C 0.164 175.107 175.510 -0.945 0.000 1.478 137 N CA -0.406 51.979 53.050 -1.107 0.000 0.841 137 N CB 1.347 39.486 38.487 -0.579 0.000 1.512 137 N HN -0.018 nan 8.380 nan 0.000 0.548 138 G N -1.651 106.580 108.800 -0.949 0.000 2.260 138 G HA2 0.157 4.117 3.960 0.000 0.000 0.250 138 G HA3 0.157 4.117 3.960 0.000 0.000 0.250 138 G C -2.339 172.598 174.900 0.062 0.000 1.340 138 G CA -0.619 44.196 45.100 -0.475 0.000 1.056 138 G HN 0.828 nan 8.290 nan 0.000 0.471 139 Y N 0.027 120.417 120.300 0.150 0.000 2.409 139 Y HA 0.680 5.230 4.550 0.000 0.000 0.343 139 Y C -0.389 175.566 175.900 0.091 0.000 0.973 139 Y CA -0.962 57.218 58.100 0.134 0.000 1.064 139 Y CB 2.284 40.740 38.460 -0.007 0.000 1.207 139 Y HN 0.550 nan 8.280 nan 0.000 0.452 140 V N 6.708 126.440 119.914 -0.304 0.000 2.378 140 V HA 0.287 4.407 4.120 0.000 0.000 0.288 140 V C -0.627 175.191 176.094 -0.460 0.000 1.016 140 V CA -0.822 61.325 62.300 -0.256 0.000 0.840 140 V CB 1.415 33.170 31.823 -0.113 0.000 0.994 140 V HN 0.761 nan 8.190 nan 0.000 0.431 141 Q N 3.724 123.322 119.800 -0.337 0.000 2.360 141 Q HA 0.221 4.561 4.340 0.000 0.000 0.254 141 Q C -0.725 175.220 176.000 -0.092 0.000 0.975 141 Q CA -0.534 55.131 55.803 -0.229 0.000 0.912 141 Q CB 1.073 29.741 28.738 -0.115 0.000 1.212 141 Q HN 0.753 nan 8.270 nan 0.000 0.452 142 D N 3.850 124.229 120.400 -0.035 0.000 2.422 142 D HA 0.011 4.651 4.640 0.000 0.000 0.227 142 D C 0.866 177.165 176.300 -0.003 0.000 1.190 142 D CA -0.071 53.936 54.000 0.012 0.000 0.905 142 D CB 1.115 41.992 40.800 0.128 0.000 1.034 142 D HN 0.707 nan 8.370 nan 0.000 0.507 143 T N 0.716 115.263 114.554 -0.012 0.000 3.160 143 T HA -0.028 4.322 4.350 0.000 0.000 0.257 143 T C 1.135 175.834 174.700 -0.002 0.000 1.147 143 T CA 0.215 62.312 62.100 -0.005 0.000 1.064 143 T CB 0.034 68.900 68.868 -0.003 0.000 0.949 143 T HN 0.192 nan 8.240 nan 0.000 0.526 144 N N 2.920 121.618 118.700 -0.003 0.000 2.250 144 N HA -0.037 4.703 4.740 0.000 0.000 0.181 144 N C 1.262 176.774 175.510 0.002 0.000 1.017 144 N CA 1.392 54.440 53.050 -0.003 0.000 0.866 144 N CB -0.176 38.306 38.487 -0.009 0.000 0.985 144 N HN 0.755 nan 8.380 nan 0.000 0.429 145 N N -0.260 118.445 118.700 0.008 0.000 2.160 145 N HA 0.018 4.758 4.740 0.000 0.000 0.226 145 N C -0.439 175.072 175.510 0.001 0.000 1.256 145 N CA 0.080 53.135 53.050 0.009 0.000 0.890 145 N CB 0.420 38.918 38.487 0.017 0.000 1.116 145 N HN -0.256 nan 8.380 nan 0.000 0.517 146 Q N -0.893 118.905 119.800 -0.003 0.000 2.493 146 Q HA -0.187 4.153 4.340 0.000 0.000 0.260 146 Q C -0.841 175.132 176.000 -0.045 0.000 0.905 146 Q CA 0.880 56.676 55.803 -0.012 0.000 1.140 146 Q CB -2.372 26.364 28.738 -0.003 0.000 1.435 146 Q HN 0.675 nan 8.270 nan 0.000 0.581 147 R N 0.496 120.954 120.500 -0.071 0.000 2.720 147 R HA 0.656 4.996 4.340 0.000 0.000 0.272 147 R C 0.051 176.157 176.300 -0.323 0.000 0.991 147 R CA -0.805 55.165 56.100 -0.217 0.000 1.010 147 R CB 1.020 31.142 30.300 -0.297 0.000 1.141 147 R HN -0.006 nan 8.270 nan 0.000 0.494 148 N N 1.100 119.497 118.700 -0.506 0.000 2.238 148 N HA 0.385 5.125 4.740 0.000 0.000 0.302 148 N C -1.431 173.664 175.510 -0.692 0.000 1.072 148 N CA -0.448 52.288 53.050 -0.525 0.000 0.792 148 N CB 1.948 40.253 38.487 -0.303 0.000 1.425 148 N HN 0.409 nan 8.380 nan 0.000 0.478 149 Y N 0.094 120.181 120.300 -0.355 0.000 2.581 149 Y HA 0.510 5.060 4.550 0.000 0.000 0.345 149 Y C 0.024 175.850 175.900 -0.123 0.000 1.036 149 Y CA -0.981 57.006 58.100 -0.188 0.000 1.042 149 Y CB 1.720 40.084 38.460 -0.162 0.000 1.289 149 Y HN 0.157 nan 8.280 nan 0.000 0.471 150 M N 3.024 122.720 119.600 0.160 0.000 2.436 150 M HA 0.476 4.956 4.480 0.000 0.000 0.331 150 M C -1.080 175.345 176.300 0.207 0.000 1.135 150 M CA -0.728 54.689 55.300 0.194 0.000 0.987 150 M CB 1.488 34.172 32.600 0.140 0.000 1.687 150 M HN 0.703 nan 8.290 nan 0.000 0.445 151 F N 0.209 120.139 119.950 -0.034 0.000 2.643 151 F HA 0.896 5.423 4.527 0.000 0.000 0.314 151 F C -1.138 174.534 175.800 -0.214 0.000 1.096 151 F CA -0.923 56.991 58.000 -0.142 0.000 0.953 151 F CB 1.614 40.515 39.000 -0.164 0.000 1.345 151 F HN 0.534 nan 8.300 nan 0.000 0.468 152 E N 0.856 120.754 120.200 -0.504 0.000 2.390 152 E HA 0.568 4.918 4.350 0.000 0.000 0.277 152 E C -1.815 174.409 176.600 -0.628 0.000 0.939 152 E CA -0.754 55.222 56.400 -0.707 0.000 0.769 152 E CB 2.069 31.265 29.700 -0.840 0.000 1.251 152 E HN 0.745 nan 8.360 nan 0.000 0.450 153 R N 3.131 123.424 120.500 -0.345 0.000 2.483 153 R HA 0.494 4.834 4.340 0.000 0.000 0.303 153 R C -0.752 175.500 176.300 -0.080 0.000 0.987 153 R CA -0.654 55.339 56.100 -0.178 0.000 0.881 153 R CB 1.188 31.475 30.300 -0.022 0.000 1.177 153 R HN 0.410 nan 8.270 nan 0.000 0.451 154 L N 3.015 124.240 121.223 0.002 0.000 2.295 154 L HA 0.326 4.666 4.340 0.000 0.000 0.285 154 L C -0.083 176.868 176.870 0.135 0.000 1.035 154 L CA -0.966 53.949 54.840 0.125 0.000 0.806 154 L CB 1.440 43.637 42.059 0.229 0.000 1.214 154 L HN 0.441 nan 8.230 nan 0.000 0.426 155 D N 3.193 123.667 120.400 0.123 0.000 2.390 155 D HA 0.286 4.926 4.640 0.000 0.000 0.236 155 D C -0.237 176.144 176.300 0.135 0.000 1.189 155 D CA 0.406 54.466 54.000 0.100 0.000 0.887 155 D CB 0.943 41.793 40.800 0.083 0.000 1.198 155 D HN 0.216 nan 8.370 nan 0.000 0.444 156 L N 0.685 121.964 121.223 0.092 0.000 2.365 156 L HA 0.531 4.871 4.340 0.000 0.000 0.273 156 L C 1.011 177.922 176.870 0.070 0.000 1.000 156 L CA -0.841 54.055 54.840 0.093 0.000 0.819 156 L CB 2.065 44.146 42.059 0.036 0.000 1.284 156 L HN 0.333 nan 8.230 nan 0.000 0.418 157 G N 1.403 110.252 108.800 0.080 0.000 2.543 157 G HA2 0.458 4.418 3.960 0.000 0.000 0.290 157 G HA3 0.458 4.418 3.960 0.000 0.000 0.290 157 G C -0.368 174.555 174.900 0.039 0.000 1.310 157 G CA -0.573 44.561 45.100 0.057 0.000 1.025 157 G HN 0.278 nan 8.290 nan 0.000 0.502 158 V N 0.801 120.733 119.914 0.031 0.000 2.485 158 V HA 0.413 4.533 4.120 0.000 0.000 0.287 158 V C 1.484 177.594 176.094 0.027 0.000 1.022 158 V CA 1.572 63.886 62.300 0.023 0.000 1.067 158 V CB 0.268 32.103 31.823 0.020 0.000 0.967 158 V HN 1.772 nan 8.190 nan 0.000 0.479 159 G N 3.724 112.539 108.800 0.026 0.000 2.136 159 G HA2 -0.241 3.719 3.960 0.000 0.000 0.242 159 G HA3 -0.241 3.719 3.960 0.000 0.000 0.242 159 G C 0.098 175.005 174.900 0.011 0.000 0.989 159 G CA 0.304 45.422 45.100 0.030 0.000 0.682 159 G HN 0.818 nan 8.290 nan 0.000 0.522 160 E N 1.301 121.504 120.200 0.006 0.000 2.146 160 E HA 0.559 4.909 4.350 0.000 0.000 0.282 160 E C 0.647 177.209 176.600 -0.062 0.000 0.989 160 E CA 0.103 56.500 56.400 -0.005 0.000 0.799 160 E CB 0.581 30.302 29.700 0.036 0.000 1.088 160 E HN 0.368 nan 8.360 nan 0.000 0.397 161 T N 0.236 114.727 114.554 -0.105 0.000 2.940 161 T HA 0.611 4.961 4.350 0.000 0.000 0.288 161 T C -0.298 174.207 174.700 -0.325 0.000 1.033 161 T CA -0.833 61.106 62.100 -0.268 0.000 1.033 161 T CB 1.647 70.261 68.868 -0.423 0.000 1.079 161 T HN 0.170 nan 8.240 nan 0.000 0.496 162 V N 1.740 121.311 119.914 -0.571 0.000 2.680 162 V HA 0.632 4.752 4.120 0.000 0.000 0.309 162 V C -1.396 174.270 176.094 -0.714 0.000 1.052 162 V CA -0.841 61.179 62.300 -0.467 0.000 0.908 162 V CB 1.314 32.890 31.823 -0.412 0.000 1.001 162 V HN 0.964 nan 8.190 nan 0.000 0.431 163 Y N 1.304 121.472 120.300 -0.220 0.000 2.609 163 Y HA 0.852 5.402 4.550 0.000 0.000 0.342 163 Y C 0.796 176.552 175.900 -0.239 0.000 1.058 163 Y CA 0.295 58.267 58.100 -0.215 0.000 1.055 163 Y CB 2.275 40.618 38.460 -0.194 0.000 1.292 163 Y HN 0.990 nan 8.280 nan 0.000 0.476 164 G N 0.080 108.847 108.800 -0.054 0.000 2.513 164 G HA2 -0.189 3.771 3.960 0.000 0.000 0.227 164 G HA3 -0.189 3.771 3.960 0.000 0.000 0.227 164 G C -0.184 174.611 174.900 -0.176 0.000 1.176 164 G CA -0.247 44.785 45.100 -0.113 0.000 0.967 164 G HN 1.225 nan 8.290 nan 0.000 0.587 165 L N -0.164 120.946 121.223 -0.189 0.000 4.291 165 L HA 0.053 4.393 4.340 0.000 0.000 0.413 165 L C 1.368 178.163 176.870 -0.125 0.000 1.162 165 L CA 1.531 56.245 54.840 -0.209 0.000 0.961 165 L CB -1.743 40.106 42.059 -0.350 0.000 2.095 165 L HN 2.880 nan 8.230 nan 0.000 0.838 166 G N -0.239 108.497 108.800 -0.106 0.000 2.483 166 G HA2 -0.127 3.833 3.960 0.000 0.000 0.521 166 G HA3 -0.127 3.833 3.960 0.000 0.000 0.521 166 G C -0.580 174.161 174.900 -0.266 0.000 1.278 166 G CA -0.046 44.964 45.100 -0.150 0.000 0.965 166 G HN 0.310 nan 8.290 nan 0.000 0.504 167 E N 0.865 120.856 120.200 -0.349 0.000 2.003 167 E HA 0.429 4.779 4.350 0.000 0.000 0.279 167 E C 0.472 176.665 176.600 -0.677 0.000 1.132 167 E CA -0.162 55.943 56.400 -0.490 0.000 0.888 167 E CB 0.047 29.506 29.700 -0.403 0.000 1.056 167 E HN 0.495 nan 8.360 nan 0.000 0.399 168 R N 3.570 123.639 120.500 -0.719 0.000 2.795 168 R HA 0.342 4.682 4.340 0.000 0.000 0.275 168 R C -0.344 175.546 176.300 -0.685 0.000 0.981 168 R CA -0.735 54.954 56.100 -0.685 0.000 0.917 168 R CB 0.811 30.938 30.300 -0.288 0.000 1.202 168 R HN 0.444 nan 8.270 nan 0.000 0.469 169 F N -0.246 119.692 119.950 -0.020 0.000 2.661 169 F HA 0.087 4.614 4.527 0.000 0.000 0.306 169 F C 1.255 177.050 175.800 -0.008 0.000 1.094 169 F CA -0.477 57.524 58.000 0.001 0.000 1.254 169 F CB 0.412 39.439 39.000 0.046 0.000 1.040 169 F HN 0.483 nan 8.300 nan 0.000 0.562 170 T N -0.761 113.840 114.554 0.078 0.000 2.729 170 T HA 0.578 4.928 4.350 0.000 0.000 0.298 170 T C 0.767 175.464 174.700 -0.006 0.000 1.013 170 T CA -0.573 61.546 62.100 0.031 0.000 0.957 170 T CB 0.650 69.518 68.868 -0.001 0.000 1.130 170 T HN 0.184 nan 8.240 nan 0.000 0.526 171 A N 0.289 123.100 122.820 -0.015 0.000 2.587 171 A HA 0.231 4.551 4.320 0.000 0.000 0.233 171 A C 1.371 178.928 177.584 -0.046 0.000 1.049 171 A CA -0.332 51.693 52.037 -0.020 0.000 0.754 171 A CB -0.558 18.431 19.000 -0.017 0.000 0.977 171 A HN 0.995 nan 8.150 nan 0.000 0.509 172 L N 3.617 124.822 121.223 -0.029 0.000 2.046 172 L HA -0.020 4.320 4.340 0.000 0.000 0.208 172 L C 0.884 177.674 176.870 -0.134 0.000 1.077 172 L CA 1.711 56.525 54.840 -0.043 0.000 0.747 172 L CB -0.221 41.854 42.059 0.027 0.000 0.896 172 L HN 0.448 nan 8.230 nan 0.000 0.432 173 V N 0.775 120.585 119.914 -0.173 0.000 2.461 173 V HA 0.120 4.240 4.120 0.000 0.000 0.275 173 V C 1.369 177.295 176.094 -0.279 0.000 1.047 173 V CA -0.165 61.885 62.300 -0.416 0.000 0.955 173 V CB 1.131 32.722 31.823 -0.388 0.000 0.988 173 V HN 0.292 nan 8.190 nan 0.000 0.471 174 R N 2.854 123.137 120.500 -0.361 0.000 2.235 174 R HA 0.030 4.370 4.340 0.000 0.000 0.213 174 R C 0.492 176.670 176.300 -0.203 0.000 1.059 174 R CA 0.242 56.184 56.100 -0.263 0.000 0.997 174 R CB -0.217 29.897 30.300 -0.311 0.000 0.884 174 R HN 0.752 nan 8.270 nan 0.000 0.462 175 N N 0.144 118.722 118.700 -0.203 0.000 2.359 175 N HA 0.116 4.856 4.740 0.000 0.000 0.261 175 N C 0.822 176.279 175.510 -0.088 0.000 1.267 175 N CA 1.400 54.368 53.050 -0.137 0.000 0.864 175 N CB 0.740 39.164 38.487 -0.106 0.000 1.063 175 N HN 0.311 nan 8.380 nan 0.000 0.474 176 G N 0.834 109.587 108.800 -0.079 0.000 2.213 176 G HA2 -0.231 3.729 3.960 0.000 0.000 0.226 176 G HA3 -0.231 3.729 3.960 0.000 0.000 0.226 176 G C -0.290 174.576 174.900 -0.056 0.000 0.992 176 G CA 0.031 45.095 45.100 -0.060 0.000 0.632 176 G HN 0.708 nan 8.290 nan 0.000 0.511 177 Q N 0.525 120.285 119.800 -0.067 0.000 2.266 177 Q HA 0.733 5.073 4.340 0.000 0.000 0.261 177 Q C -0.814 175.166 176.000 -0.033 0.000 0.985 177 Q CA -0.695 55.078 55.803 -0.051 0.000 0.873 177 Q CB 1.734 30.440 28.738 -0.053 0.000 1.306 177 Q HN 0.056 nan 8.270 nan 0.000 0.447 178 T N 1.562 116.108 114.554 -0.013 0.000 2.845 178 T HA 0.413 4.763 4.350 0.000 0.000 0.288 178 T C -0.841 173.880 174.700 0.035 0.000 0.980 178 T CA -0.607 61.502 62.100 0.015 0.000 1.071 178 T CB 1.173 70.043 68.868 0.004 0.000 0.941 178 T HN 0.490 nan 8.240 nan 0.000 0.487 179 V N 3.497 123.466 119.914 0.092 0.000 2.623 179 V HA 0.550 4.670 4.120 0.000 0.000 0.304 179 V C -1.194 175.033 176.094 0.222 0.000 1.054 179 V CA -0.759 61.609 62.300 0.115 0.000 0.882 179 V CB 1.968 33.808 31.823 0.029 0.000 1.002 179 V HN 0.812 nan 8.190 nan 0.000 0.424 180 E N 4.095 124.406 120.200 0.186 0.000 2.133 180 E HA 0.299 4.649 4.350 0.000 0.000 0.274 180 E C -0.104 176.675 176.600 0.299 0.000 0.930 180 E CA -0.373 56.159 56.400 0.221 0.000 0.770 180 E CB 1.716 31.497 29.700 0.135 0.000 1.104 180 E HN 0.895 nan 8.360 nan 0.000 0.403 181 T N 1.108 115.888 114.554 0.377 0.000 3.185 181 T HA 0.220 4.570 4.350 0.000 0.000 0.287 181 T C -0.250 174.757 174.700 0.511 0.000 1.051 181 T CA -0.708 61.630 62.100 0.396 0.000 1.051 181 T CB -0.200 68.922 68.868 0.423 0.000 1.034 181 T HN 0.451 nan 8.240 nan 0.000 0.685 182 W N 4.167 125.589 121.300 0.203 0.000 2.934 182 W HA 0.283 4.943 4.660 0.000 0.000 0.333 182 W C -1.396 175.298 176.519 0.292 0.000 1.035 182 W CA -0.962 56.520 57.345 0.228 0.000 1.256 182 W CB 1.281 30.805 29.460 0.107 0.000 1.306 182 W HN 0.372 nan 8.180 nan 0.000 0.430 183 N N 4.851 123.609 118.700 0.096 0.000 2.412 183 N HA 0.171 4.911 4.740 0.000 0.000 0.254 183 N C -0.363 175.250 175.510 0.172 0.000 1.232 183 N CA 0.667 53.781 53.050 0.107 0.000 0.880 183 N CB 0.681 39.169 38.487 0.001 0.000 1.076 183 N HN 0.391 nan 8.380 nan 0.000 0.458 184 R N 0.204 120.809 120.500 0.175 0.000 2.739 184 R HA 0.222 4.562 4.340 0.000 0.000 0.271 184 R C -1.373 174.998 176.300 0.119 0.000 1.010 184 R CA -0.786 55.431 56.100 0.196 0.000 0.897 184 R CB 1.568 31.997 30.300 0.215 0.000 1.236 184 R HN 0.365 nan 8.270 nan 0.000 0.466 185 D N 0.894 121.410 120.400 0.194 0.000 2.479 185 D HA 0.260 4.901 4.640 0.000 0.000 0.218 185 D C 0.106 176.453 176.300 0.078 0.000 1.131 185 D CA 0.106 54.217 54.000 0.186 0.000 0.916 185 D CB 0.920 41.932 40.800 0.353 0.000 1.022 185 D HN 0.747 nan 8.370 nan 0.000 0.515 186 G N 1.528 110.232 108.800 -0.160 0.000 3.829 186 G HA2 0.488 4.448 3.960 0.000 0.000 0.279 186 G HA3 0.488 4.448 3.960 0.000 0.000 0.279 186 G C 0.781 175.625 174.900 -0.093 0.000 1.008 186 G CA 0.199 45.260 45.100 -0.066 0.000 0.840 186 G HN 0.805 nan 8.290 nan 0.000 0.474 187 G N 0.255 108.966 108.800 -0.149 0.000 2.693 187 G HA2 -0.015 3.945 3.960 0.000 0.000 0.226 187 G HA3 -0.015 3.945 3.960 0.000 0.000 0.226 187 G C 0.770 175.511 174.900 -0.265 0.000 1.354 187 G CA 0.685 45.779 45.100 -0.010 0.000 0.873 187 G HN 1.202 nan 8.290 nan 0.000 0.562 188 T N -3.693 110.684 114.554 -0.294 0.000 3.134 188 T HA 0.563 4.913 4.350 0.000 0.000 0.260 188 T C 1.278 175.691 174.700 -0.478 0.000 1.027 188 T CA 1.081 62.593 62.100 -0.981 0.000 0.913 188 T CB 0.432 68.812 68.868 -0.815 0.000 1.046 188 T HN 0.949 nan 8.240 nan 0.000 0.553 189 S N 1.498 117.124 115.700 -0.123 0.000 2.629 189 S HA 0.278 4.748 4.470 0.000 0.000 0.236 189 S C 0.763 175.388 174.600 0.041 0.000 1.010 189 S CA -0.230 57.971 58.200 0.002 0.000 0.981 189 S CB 0.565 63.776 63.200 0.019 0.000 0.919 189 S HN 0.867 nan 8.310 nan 0.000 0.514 190 T N -0.572 114.020 114.554 0.063 0.000 2.742 190 T HA 0.394 4.744 4.350 0.000 0.000 0.282 190 T C 0.592 175.365 174.700 0.123 0.000 1.025 190 T CA -0.642 61.505 62.100 0.079 0.000 1.020 190 T CB 1.326 70.230 68.868 0.060 0.000 1.317 190 T HN -0.028 nan 8.240 nan 0.000 0.538 191 E N 0.059 120.313 120.200 0.091 0.000 2.511 191 E HA -0.012 4.338 4.350 0.000 0.000 0.196 191 E C 0.185 176.842 176.600 0.095 0.000 1.066 191 E CA 0.283 56.734 56.400 0.086 0.000 0.871 191 E CB -0.092 29.642 29.700 0.056 0.000 0.863 191 E HN 0.706 nan 8.360 nan 0.000 0.520 192 Q N 0.235 120.094 119.800 0.100 0.000 2.317 192 Q HA 0.575 4.915 4.340 0.000 0.000 0.229 192 Q C -0.613 175.437 176.000 0.083 0.000 0.984 192 Q CA -0.146 55.710 55.803 0.089 0.000 0.911 192 Q CB 1.469 30.246 28.738 0.065 0.000 1.217 192 Q HN 0.260 nan 8.270 nan 0.000 0.501 193 A N 0.403 123.251 122.820 0.048 0.000 2.515 193 A HA 0.436 4.756 4.320 0.000 0.000 0.298 193 A C -1.150 176.439 177.584 0.009 0.000 1.059 193 A CA -0.642 51.416 52.037 0.035 0.000 0.698 193 A CB 0.513 19.519 19.000 0.011 0.000 1.289 193 A HN 0.777 nan 8.150 nan 0.000 0.404 194 Y N 0.668 121.039 120.300 0.117 0.000 2.420 194 Y HA 0.112 4.662 4.550 0.000 0.000 0.292 194 Y C 0.693 176.590 175.900 -0.005 0.000 1.119 194 Y CA 1.218 59.339 58.100 0.035 0.000 1.229 194 Y CB 0.227 38.659 38.460 -0.047 0.000 1.026 194 Y HN 0.499 nan 8.280 nan 0.000 0.554 195 K N 1.391 121.863 120.400 0.120 0.000 2.575 195 K HA 0.245 4.565 4.320 0.000 0.000 0.236 195 K C -1.087 175.492 176.600 -0.035 0.000 0.976 195 K CA -0.309 55.965 56.287 -0.021 0.000 0.985 195 K CB 0.811 33.178 32.500 -0.220 0.000 1.198 195 K HN 0.036 nan 8.250 nan 0.000 0.464 196 N N 3.666 122.400 118.700 0.055 0.000 2.430 196 N HA 0.429 5.169 4.740 0.000 0.000 0.292 196 N C -0.821 174.764 175.510 0.125 0.000 1.051 196 N CA -0.437 52.669 53.050 0.094 0.000 0.917 196 N CB 1.625 40.220 38.487 0.179 0.000 1.164 196 N HN 0.311 nan 8.380 nan 0.000 0.484 197 I N 3.254 123.889 120.570 0.108 0.000 2.500 197 I HA 0.228 4.399 4.170 0.000 0.000 0.286 197 I C -2.253 173.959 176.117 0.159 0.000 1.063 197 I CA -2.034 59.351 61.300 0.142 0.000 1.062 197 I CB 2.068 40.152 38.000 0.141 0.000 1.223 197 I HN 0.216 nan 8.210 nan 0.000 0.435 198 P HA 0.153 nan 4.420 nan 0.000 0.228 198 P C -0.667 176.812 177.300 0.299 0.000 1.748 198 P CA 0.121 63.444 63.100 0.373 0.000 0.909 198 P CB -0.557 31.493 31.700 0.584 0.000 1.882 199 F N 3.008 122.924 119.950 -0.057 0.000 2.547 199 F HA 0.551 5.078 4.527 0.000 0.000 0.316 199 F C -1.386 174.280 175.800 -0.224 0.000 1.121 199 F CA -1.437 56.460 58.000 -0.172 0.000 0.911 199 F CB 1.504 40.291 39.000 -0.355 0.000 1.179 199 F HN -0.010 nan 8.300 nan 0.000 0.443 200 Y N 5.247 124.859 120.300 -1.147 0.000 2.570 200 Y HA 0.832 5.382 4.550 0.000 0.000 0.345 200 Y C -1.113 173.990 175.900 -1.329 0.000 1.014 200 Y CA -1.759 55.689 58.100 -1.087 0.000 1.063 200 Y CB 1.538 39.616 38.460 -0.638 0.000 1.272 200 Y HN 0.791 nan 8.280 nan 0.000 0.477 201 M N 1.366 120.559 119.600 -0.678 0.000 2.658 201 M HA 0.851 5.331 4.480 0.000 0.000 0.295 201 M C -0.995 175.211 176.300 -0.157 0.000 1.248 201 M CA -0.711 54.299 55.300 -0.484 0.000 0.843 201 M CB 2.494 34.887 32.600 -0.344 0.000 1.749 201 M HN 0.882 nan 8.290 nan 0.000 0.464 202 T N -2.301 112.073 114.554 -0.301 0.000 2.888 202 T HA 0.416 4.766 4.350 0.000 0.000 0.288 202 T C 0.302 174.938 174.700 -0.107 0.000 1.063 202 T CA -0.646 61.359 62.100 -0.158 0.000 1.010 202 T CB 1.188 69.869 68.868 -0.312 0.000 1.214 202 T HN 0.849 nan 8.240 nan 0.000 0.533 203 N N -0.065 118.645 118.700 0.017 0.000 2.434 203 N HA 0.008 4.748 4.740 0.000 0.000 0.196 203 N C 1.006 176.501 175.510 -0.025 0.000 1.183 203 N CA -0.103 52.938 53.050 -0.014 0.000 0.849 203 N CB -0.342 38.167 38.487 0.037 0.000 0.992 203 N HN 0.697 nan 8.380 nan 0.000 0.460 204 R N 0.084 120.555 120.500 -0.048 0.000 2.334 204 R HA 0.205 4.545 4.340 0.000 0.000 0.216 204 R C 0.478 176.815 176.300 0.063 0.000 0.905 204 R CA 0.587 56.715 56.100 0.046 0.000 1.064 204 R CB -0.174 30.231 30.300 0.174 0.000 1.046 204 R HN 0.223 nan 8.270 nan 0.000 0.508 205 G N 0.680 109.450 108.800 -0.050 0.000 2.289 205 G HA2 -0.301 3.659 3.960 0.000 0.000 0.280 205 G HA3 -0.301 3.659 3.960 0.000 0.000 0.280 205 G C -0.611 174.339 174.900 0.084 0.000 1.089 205 G CA 0.639 45.734 45.100 -0.010 0.000 0.939 205 G HN 0.478 nan 8.290 nan 0.000 0.499 206 Y N -2.412 117.883 120.300 -0.010 0.000 2.644 206 Y HA 0.854 5.404 4.550 0.000 0.000 0.338 206 Y C 0.387 176.247 175.900 -0.066 0.000 1.119 206 Y CA -1.325 56.762 58.100 -0.022 0.000 1.060 206 Y CB 0.856 39.300 38.460 -0.026 0.000 1.294 206 Y HN 0.683 nan 8.280 nan 0.000 0.472 207 G N -0.124 108.737 108.800 0.102 0.000 2.658 207 G HA2 0.610 4.570 3.960 0.000 0.000 0.292 207 G HA3 0.610 4.570 3.960 0.000 0.000 0.292 207 G C -1.971 172.863 174.900 -0.109 0.000 1.320 207 G CA -0.836 44.171 45.100 -0.155 0.000 0.933 207 G HN 1.398 nan 8.290 nan 0.000 0.476 208 V N 0.168 119.757 119.914 -0.543 0.000 2.623 208 V HA 0.763 4.883 4.120 0.000 0.000 0.304 208 V C -1.625 174.425 176.094 -0.072 0.000 1.054 208 V CA -0.930 61.194 62.300 -0.294 0.000 0.882 208 V CB 1.508 33.114 31.823 -0.362 0.000 1.002 208 V HN 0.875 nan 8.190 nan 0.000 0.424 209 L N 7.354 128.778 121.223 0.334 0.000 2.287 209 L HA 0.711 5.051 4.340 0.000 0.000 0.287 209 L C -0.551 176.562 176.870 0.405 0.000 1.022 209 L CA 0.002 55.120 54.840 0.463 0.000 0.814 209 L CB 1.749 44.182 42.059 0.623 0.000 1.217 209 L HN 0.597 nan 8.230 nan 0.000 0.420 210 V N 4.999 125.098 119.914 0.310 0.000 2.368 210 V HA 0.229 4.349 4.120 0.000 0.000 0.266 210 V C 0.514 176.873 176.094 0.442 0.000 1.045 210 V CA -0.508 61.968 62.300 0.294 0.000 0.899 210 V CB 0.728 32.598 31.823 0.077 0.000 1.006 210 V HN 0.798 nan 8.190 nan 0.000 0.470 211 N N 4.141 123.051 118.700 0.350 0.000 3.254 211 N HA 0.100 4.840 4.740 0.000 0.000 0.308 211 N C -0.568 174.819 175.510 -0.206 0.000 1.281 211 N CA -0.011 53.213 53.050 0.289 0.000 1.212 211 N CB -0.615 38.139 38.487 0.444 0.000 1.478 211 N HN 0.806 nan 8.380 nan 0.000 0.548 212 H N -0.665 118.574 119.070 0.282 0.000 3.108 212 H HA 0.261 4.817 4.556 0.000 0.000 0.329 212 H C -1.886 173.427 175.328 -0.025 0.000 0.978 212 H CA -1.353 54.738 56.048 0.072 0.000 1.413 212 H CB 1.955 31.779 29.762 0.103 0.000 1.670 212 H HN 0.171 nan 8.280 nan 0.000 0.512 213 P HA -0.119 nan 4.420 nan 0.000 0.229 213 P C 0.502 177.902 177.300 0.166 0.000 1.160 213 P CA 0.509 63.465 63.100 -0.240 0.000 0.777 213 P CB 0.416 31.828 31.700 -0.481 0.000 0.814 214 Q N -0.013 119.913 119.800 0.209 0.000 2.544 214 Q HA 0.001 4.341 4.340 0.000 0.000 0.194 214 Q C 0.058 176.306 176.000 0.413 0.000 1.104 214 Q CA -0.292 55.717 55.803 0.343 0.000 1.131 214 Q CB -0.594 28.297 28.738 0.254 0.000 1.210 214 Q HN -0.019 nan 8.270 nan 0.000 0.639 215 C N 1.519 121.094 119.300 0.458 0.000 2.638 215 C HA 0.289 4.749 4.460 0.000 0.000 0.410 215 C C 0.079 175.203 174.990 0.223 0.000 1.404 215 C CA -0.355 58.888 59.018 0.375 0.000 1.651 215 C CB -1.353 26.423 27.740 0.059 0.000 2.495 215 C HN 0.443 nan 8.230 nan 0.000 0.606 216 V N 6.861 126.930 119.914 0.259 0.000 2.472 216 V HA 0.456 4.576 4.120 0.000 0.000 0.290 216 V C 0.349 176.488 176.094 0.075 0.000 1.037 216 V CA -0.082 62.288 62.300 0.116 0.000 0.908 216 V CB 1.886 33.774 31.823 0.108 0.000 0.985 216 V HN 0.904 nan 8.190 nan 0.000 0.454 217 S N 4.817 120.483 115.700 -0.056 0.000 2.520 217 S HA 0.617 5.087 4.470 0.000 0.000 0.324 217 S C -0.998 173.571 174.600 -0.051 0.000 1.069 217 S CA -0.438 57.758 58.200 -0.008 0.000 1.121 217 S CB -0.159 63.007 63.200 -0.057 0.000 0.971 217 S HN 0.401 nan 8.310 nan 0.000 0.463 218 F N 3.158 123.154 119.950 0.077 0.000 2.410 218 F HA 0.415 4.942 4.527 0.000 0.000 0.349 218 F C 0.786 176.588 175.800 0.004 0.000 1.117 218 F CA -0.605 57.443 58.000 0.081 0.000 1.104 218 F CB 1.316 40.343 39.000 0.045 0.000 1.122 218 F HN 0.421 nan 8.300 nan 0.000 0.483 219 E N 3.987 124.264 120.200 0.128 0.000 2.028 219 E HA 0.226 4.576 4.350 0.000 0.000 0.266 219 E C -0.826 175.791 176.600 0.029 0.000 0.962 219 E CA -0.331 56.093 56.400 0.040 0.000 0.784 219 E CB 1.608 31.291 29.700 -0.028 0.000 1.114 219 E HN 0.226 nan 8.360 nan 0.000 0.414 220 V N 1.906 121.817 119.914 -0.005 0.000 2.284 220 V HA 0.253 4.373 4.120 0.000 0.000 0.260 220 V C 1.357 177.397 176.094 -0.091 0.000 1.084 220 V CA 0.087 62.337 62.300 -0.084 0.000 0.894 220 V CB 0.396 32.119 31.823 -0.167 0.000 1.119 220 V HN 0.919 nan 8.190 nan 0.000 0.484 221 G N 4.588 113.343 108.800 -0.077 0.000 2.233 221 G HA2 -0.306 3.654 3.960 0.000 0.000 0.270 221 G HA3 -0.306 3.654 3.960 0.000 0.000 0.270 221 G C 0.796 175.660 174.900 -0.059 0.000 1.011 221 G CA 0.820 45.880 45.100 -0.067 0.000 0.762 221 G HN 1.071 nan 8.290 nan 0.000 0.511 222 S N -2.114 113.553 115.700 -0.055 0.000 2.559 222 S HA 0.429 4.899 4.470 0.000 0.000 0.226 222 S C 1.183 175.749 174.600 -0.057 0.000 1.000 222 S CA 0.789 58.958 58.200 -0.052 0.000 0.948 222 S CB 0.765 63.939 63.200 -0.044 0.000 0.870 222 S HN 0.639 nan 8.310 nan 0.000 0.497 223 E N 1.118 121.279 120.200 -0.064 0.000 2.756 223 E HA 0.217 4.567 4.350 0.000 0.000 0.192 223 E C -0.576 175.974 176.600 -0.082 0.000 1.022 223 E CA -0.077 56.275 56.400 -0.080 0.000 1.224 223 E CB 0.518 30.159 29.700 -0.099 0.000 1.252 223 E HN 0.059 nan 8.360 nan 0.000 0.494 224 K N 2.219 122.574 120.400 -0.076 0.000 2.240 224 K HA 0.166 4.486 4.320 0.000 0.000 0.271 224 K C 0.960 177.525 176.600 -0.058 0.000 1.018 224 K CA -0.017 56.227 56.287 -0.072 0.000 0.874 224 K CB 2.010 34.469 32.500 -0.067 0.000 1.098 224 K HN 0.194 nan 8.250 nan 0.000 0.458 225 V N -0.182 119.697 119.914 -0.058 0.000 2.871 225 V HA -0.092 4.028 4.120 0.000 0.000 0.256 225 V C 1.151 177.220 176.094 -0.042 0.000 1.082 225 V CA 1.383 63.653 62.300 -0.050 0.000 1.105 225 V CB -0.450 31.344 31.823 -0.048 0.000 0.713 225 V HN 0.647 nan 8.190 nan 0.000 0.473 226 S N -0.672 115.007 115.700 -0.035 0.000 2.537 226 S HA 0.476 4.946 4.470 0.000 0.000 0.246 226 S C 0.062 174.657 174.600 -0.009 0.000 1.036 226 S CA -0.653 57.535 58.200 -0.020 0.000 1.041 226 S CB -0.430 62.761 63.200 -0.015 0.000 0.799 226 S HN 0.720 nan 8.310 nan 0.000 0.456 227 K N 0.354 120.743 120.400 -0.018 0.000 2.508 227 K HA 0.540 4.860 4.320 0.000 0.000 0.260 227 K C -1.562 175.029 176.600 -0.015 0.000 0.949 227 K CA -0.924 55.362 56.287 -0.001 0.000 0.834 227 K CB 2.459 34.957 32.500 -0.004 0.000 1.365 227 K HN 0.016 nan 8.250 nan 0.000 0.437 228 V N 2.473 122.394 119.914 0.011 0.000 2.318 228 V HA 0.158 4.278 4.120 0.000 0.000 0.271 228 V C -0.050 176.093 176.094 0.082 0.000 1.030 228 V CA -0.523 61.784 62.300 0.012 0.000 0.844 228 V CB 0.878 32.645 31.823 -0.095 0.000 1.015 228 V HN 0.663 nan 8.190 nan 0.000 0.460 229 Q N 5.194 125.020 119.800 0.043 0.000 2.243 229 Q HA 0.626 4.966 4.340 0.000 0.000 0.252 229 Q C -1.350 174.658 176.000 0.013 0.000 0.909 229 Q CA -0.508 55.262 55.803 -0.055 0.000 0.922 229 Q CB 1.273 29.979 28.738 -0.053 0.000 1.215 229 Q HN 0.711 nan 8.270 nan 0.000 0.427 230 F N 0.454 120.349 119.950 -0.092 0.000 2.578 230 F HA 0.736 5.263 4.527 0.000 0.000 0.311 230 F C -0.911 174.792 175.800 -0.163 0.000 1.094 230 F CA -0.967 56.840 58.000 -0.321 0.000 0.923 230 F CB 1.648 40.207 39.000 -0.735 0.000 1.230 230 F HN 0.452 nan 8.300 nan 0.000 0.450 231 S N 1.785 117.462 115.700 -0.038 0.000 2.569 231 S HA 0.880 5.350 4.470 0.000 0.000 0.280 231 S C -1.814 172.785 174.600 -0.002 0.000 1.111 231 S CA -0.801 57.401 58.200 0.004 0.000 0.887 231 S CB 1.828 64.988 63.200 -0.066 0.000 1.095 231 S HN 1.305 nan 8.310 nan 0.000 0.476 232 V N 0.905 120.836 119.914 0.028 0.000 2.971 232 V HA 0.554 4.674 4.120 0.000 0.000 0.309 232 V C -0.983 175.145 176.094 0.058 0.000 1.130 232 V CA -0.747 61.535 62.300 -0.031 0.000 0.964 232 V CB 1.941 33.555 31.823 -0.347 0.000 1.029 232 V HN 1.125 nan 8.190 nan 0.000 0.427 233 E N 3.609 123.822 120.200 0.022 0.000 2.003 233 E HA 0.545 4.895 4.350 0.000 0.000 0.279 233 E C -0.637 175.863 176.600 -0.167 0.000 1.132 233 E CA 0.226 56.492 56.400 -0.223 0.000 0.888 233 E CB 0.510 30.032 29.700 -0.295 0.000 1.056 233 E HN 0.731 nan 8.360 nan 0.000 0.399 234 S N 3.096 118.710 115.700 -0.144 0.000 2.597 234 S HA 0.099 4.569 4.470 0.000 0.000 0.274 234 S C -0.150 174.486 174.600 0.060 0.000 1.132 234 S CA -0.693 57.457 58.200 -0.083 0.000 0.835 234 S CB 1.302 64.319 63.200 -0.305 0.000 1.092 234 S HN 0.537 nan 8.310 nan 0.000 0.457 235 E N 0.784 121.097 120.200 0.189 0.000 2.478 235 E HA 0.160 4.510 4.350 0.000 0.000 0.194 235 E C -0.285 176.528 176.600 0.356 0.000 1.045 235 E CA 0.558 57.145 56.400 0.312 0.000 0.868 235 E CB 0.102 29.988 29.700 0.309 0.000 0.885 235 E HN 0.609 nan 8.360 nan 0.000 0.505 236 Y N -1.703 118.718 120.300 0.202 0.000 2.615 236 Y HA 0.631 5.181 4.550 0.000 0.000 0.341 236 Y C -1.291 174.758 175.900 0.247 0.000 1.089 236 Y CA -1.784 56.440 58.100 0.206 0.000 1.049 236 Y CB 1.032 39.589 38.460 0.162 0.000 1.296 236 Y HN -0.203 nan 8.280 nan 0.000 0.470 237 L N 2.132 123.474 121.223 0.198 0.000 2.410 237 L HA 0.638 4.978 4.340 0.000 0.000 0.270 237 L C -1.399 175.723 176.870 0.419 0.000 0.983 237 L CA -0.542 54.448 54.840 0.251 0.000 0.822 237 L CB 2.197 44.395 42.059 0.231 0.000 1.285 237 L HN 0.912 nan 8.230 nan 0.000 0.409 238 E N 3.801 124.307 120.200 0.511 0.000 2.246 238 E HA 0.533 4.883 4.350 0.000 0.000 0.266 238 E C -2.022 174.665 176.600 0.144 0.000 0.880 238 E CA -0.617 55.888 56.400 0.176 0.000 0.762 238 E CB 1.422 31.213 29.700 0.153 0.000 1.180 238 E HN 0.595 nan 8.360 nan 0.000 0.416 239 Y N 1.451 121.691 120.300 -0.100 0.000 2.581 239 Y HA 0.696 5.246 4.550 0.000 0.000 0.345 239 Y C -1.711 173.950 175.900 -0.398 0.000 1.036 239 Y CA -1.448 56.597 58.100 -0.092 0.000 1.042 239 Y CB 1.066 39.593 38.460 0.111 0.000 1.289 239 Y HN 0.241 nan 8.280 nan 0.000 0.471 240 F N 1.575 121.664 119.950 0.231 0.000 2.467 240 F HA 0.615 5.142 4.527 0.000 0.000 0.336 240 F C -0.532 175.323 175.800 0.090 0.000 1.123 240 F CA -1.258 56.779 58.000 0.061 0.000 0.964 240 F CB 2.025 41.066 39.000 0.069 0.000 1.136 240 F HN 0.338 nan 8.300 nan 0.000 0.447 241 V N 5.014 124.997 119.914 0.116 0.000 2.465 241 V HA 0.353 4.473 4.120 0.000 0.000 0.279 241 V C 0.097 176.234 176.094 0.073 0.000 1.045 241 V CA -0.524 61.777 62.300 0.002 0.000 0.938 241 V CB 1.382 33.010 31.823 -0.324 0.000 0.986 241 V HN 0.533 nan 8.190 nan 0.000 0.467 242 I N 3.587 124.227 120.570 0.116 0.000 2.411 242 I HA 0.331 4.502 4.170 0.000 0.000 0.284 242 I C -0.249 175.942 176.117 0.122 0.000 1.012 242 I CA -0.502 60.866 61.300 0.113 0.000 1.119 242 I CB 1.615 39.727 38.000 0.186 0.000 1.261 242 I HN 0.524 nan 8.210 nan 0.000 0.448 243 D N 4.105 124.552 120.400 0.078 0.000 2.360 243 D HA 0.318 4.958 4.640 0.000 0.000 0.242 243 D C 0.660 177.003 176.300 0.071 0.000 1.184 243 D CA 0.320 54.370 54.000 0.084 0.000 0.930 243 D CB 1.627 42.456 40.800 0.047 0.000 1.161 243 D HN 0.598 nan 8.370 nan 0.000 0.447 244 G N 0.421 109.264 108.800 0.070 0.000 2.766 244 G HA2 0.128 4.088 3.960 0.000 0.000 0.206 244 G HA3 0.128 4.088 3.960 0.000 0.000 0.206 244 G C -1.543 173.368 174.900 0.018 0.000 2.072 244 G CA -0.132 44.991 45.100 0.038 0.000 0.798 244 G HN 0.575 nan 8.290 nan 0.000 0.703 245 P HA 0.148 nan 4.420 nan 0.000 0.249 245 P C 0.281 177.589 177.300 0.014 0.000 1.229 245 P CA 0.734 63.851 63.100 0.028 0.000 0.788 245 P CB 0.051 31.765 31.700 0.023 0.000 1.072 246 T N -4.496 110.054 114.554 -0.006 0.000 2.940 246 T HA 0.431 4.781 4.350 0.000 0.000 0.288 246 T C -2.127 172.549 174.700 -0.041 0.000 1.033 246 T CA -2.331 59.752 62.100 -0.029 0.000 1.033 246 T CB 1.817 70.660 68.868 -0.042 0.000 1.079 246 T HN -0.348 nan 8.240 nan 0.000 0.496 247 P HA -0.097 nan 4.420 nan 0.000 0.216 247 P C 1.273 178.533 177.300 -0.067 0.000 1.150 247 P CA 1.314 64.362 63.100 -0.086 0.000 0.843 247 P CB 0.083 31.697 31.700 -0.144 0.000 0.787 248 K N -0.981 119.374 120.400 -0.075 0.000 2.217 248 K HA 0.017 4.337 4.320 0.000 0.000 0.202 248 K C 2.068 178.635 176.600 -0.054 0.000 1.051 248 K CA 1.195 57.438 56.287 -0.074 0.000 0.952 248 K CB -0.394 32.054 32.500 -0.086 0.000 0.736 248 K HN 0.056 nan 8.250 nan 0.000 0.453 249 A N 0.828 123.623 122.820 -0.041 0.000 1.970 249 A HA -0.057 4.263 4.320 0.000 0.000 0.216 249 A C 2.268 179.847 177.584 -0.007 0.000 1.170 249 A CA 0.856 52.877 52.037 -0.027 0.000 0.645 249 A CB -0.342 18.646 19.000 -0.021 0.000 0.816 249 A HN 0.030 nan 8.150 nan 0.000 0.447 250 V N 0.175 120.095 119.914 0.009 0.000 2.295 250 V HA -0.249 3.871 4.120 0.000 0.000 0.246 250 V C 2.531 178.658 176.094 0.054 0.000 1.049 250 V CA 1.975 64.309 62.300 0.055 0.000 1.024 250 V CB -0.706 31.165 31.823 0.079 0.000 0.648 250 V HN 0.574 nan 8.190 nan 0.000 0.447 251 L N 0.002 121.232 121.223 0.011 0.000 2.141 251 L HA -0.162 4.178 4.340 0.000 0.000 0.209 251 L C 2.395 179.248 176.870 -0.028 0.000 1.094 251 L CA 1.604 56.430 54.840 -0.023 0.000 0.763 251 L CB -0.571 41.451 42.059 -0.061 0.000 0.908 251 L HN 0.422 nan 8.230 nan 0.000 0.437 252 D N 0.443 120.820 120.400 -0.040 0.000 2.097 252 D HA -0.181 4.459 4.640 0.000 0.000 0.195 252 D C 2.296 178.562 176.300 -0.056 0.000 0.989 252 D CA 1.427 55.393 54.000 -0.058 0.000 0.827 252 D CB 0.113 40.880 40.800 -0.055 0.000 0.966 252 D HN 0.112 nan 8.370 nan 0.000 0.456 253 R N -1.033 119.447 120.500 -0.033 0.000 2.081 253 R HA -0.168 4.172 4.340 0.000 0.000 0.235 253 R C 2.426 178.704 176.300 -0.037 0.000 1.131 253 R CA 1.216 57.291 56.100 -0.041 0.000 0.960 253 R CB -0.659 29.624 30.300 -0.029 0.000 0.856 253 R HN 0.347 nan 8.270 nan 0.000 0.436 254 Y N 2.005 122.219 120.300 -0.143 0.000 2.165 254 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 254 Y C 2.514 178.272 175.900 -0.236 0.000 1.155 254 Y CA 2.103 60.068 58.100 -0.226 0.000 1.164 254 Y CB -0.375 37.765 38.460 -0.534 0.000 0.978 254 Y HN 0.114 nan 8.280 nan 0.000 0.513 255 T N -1.836 112.570 114.554 -0.246 0.000 2.985 255 T HA -0.077 4.273 4.350 0.000 0.000 0.266 255 T C 2.010 176.531 174.700 -0.298 0.000 1.076 255 T CA 0.925 62.813 62.100 -0.354 0.000 1.135 255 T CB -0.440 68.286 68.868 -0.238 0.000 0.890 255 T HN 0.386 nan 8.240 nan 0.000 0.480 256 R N -0.297 120.091 120.500 -0.186 0.000 2.091 256 R HA -0.097 4.243 4.340 0.000 0.000 0.238 256 R C 2.146 178.377 176.300 -0.115 0.000 1.136 256 R CA 1.537 57.558 56.100 -0.131 0.000 0.959 256 R CB -0.543 29.707 30.300 -0.083 0.000 0.856 256 R HN 0.405 nan 8.270 nan 0.000 0.437 257 F N 0.927 120.660 119.950 -0.361 0.000 2.186 257 F HA -0.090 4.437 4.527 0.000 0.000 0.299 257 F C 2.030 177.551 175.800 -0.466 0.000 1.090 257 F CA 1.959 59.720 58.000 -0.399 0.000 1.307 257 F CB -0.342 38.387 39.000 -0.452 0.000 1.019 257 F HN 0.181 nan 8.300 nan 0.000 0.489 258 T N -2.860 111.286 114.554 -0.680 0.000 3.003 258 T HA 0.545 4.896 4.350 0.000 0.000 0.261 258 T C 0.661 175.009 174.700 -0.586 0.000 1.003 258 T CA 0.276 61.892 62.100 -0.806 0.000 0.917 258 T CB 0.190 68.410 68.868 -1.080 0.000 1.084 258 T HN 0.536 nan 8.240 nan 0.000 0.522 259 G N 1.368 109.874 108.800 -0.490 0.000 2.326 259 G HA2 0.287 4.247 3.960 0.000 0.000 0.299 259 G HA3 0.287 4.247 3.960 0.000 0.000 0.299 259 G C -1.449 173.221 174.900 -0.384 0.000 1.643 259 G CA -1.268 43.586 45.100 -0.409 0.000 0.916 259 G HN 0.279 nan 8.290 nan 0.000 0.700 260 R N 1.765 122.090 120.500 -0.293 0.000 2.308 260 R HA 0.418 4.758 4.340 0.000 0.000 0.305 260 R C -2.454 173.694 176.300 -0.255 0.000 1.053 260 R CA -1.994 53.964 56.100 -0.237 0.000 0.957 260 R CB 0.781 30.990 30.300 -0.151 0.000 1.022 260 R HN 0.293 nan 8.270 nan 0.000 0.461 261 P HA -0.061 nan 4.420 nan 0.000 0.261 261 P C -0.360 176.926 177.300 -0.023 0.000 1.183 261 P CA 0.362 63.385 63.100 -0.128 0.000 0.761 261 P CB 0.388 32.069 31.700 -0.032 0.000 0.785 262 A N 4.081 126.860 122.820 -0.068 0.000 2.507 262 A HA 0.141 4.461 4.320 0.000 0.000 0.235 262 A C 0.006 177.671 177.584 0.135 0.000 1.070 262 A CA -0.111 51.958 52.037 0.053 0.000 0.768 262 A CB -0.260 18.823 19.000 0.138 0.000 1.011 262 A HN 0.574 nan 8.150 nan 0.000 0.502 263 L N 3.615 124.911 121.223 0.122 0.000 2.283 263 L HA 0.445 4.785 4.340 0.000 0.000 0.287 263 L C -2.137 174.759 176.870 0.044 0.000 1.073 263 L CA -1.723 53.158 54.840 0.068 0.000 0.822 263 L CB 0.383 42.477 42.059 0.058 0.000 1.186 263 L HN 0.387 nan 8.230 nan 0.000 0.436 264 P HA 0.286 nan 4.420 nan 0.000 0.274 264 P C -2.688 174.706 177.300 0.157 0.000 1.231 264 P CA -1.325 61.737 63.100 -0.063 0.000 0.790 264 P CB -0.212 31.287 31.700 -0.334 0.000 0.951 265 P HA 0.006 nan 4.420 nan 0.000 0.269 265 P C 0.302 177.574 177.300 -0.046 0.000 1.209 265 P CA 0.068 63.085 63.100 -0.137 0.000 0.776 265 P CB 0.571 31.916 31.700 -0.592 0.000 0.876 266 A N 4.229 127.043 122.820 -0.009 0.000 1.972 266 A HA -0.150 4.170 4.320 0.000 0.000 0.219 266 A C 2.004 179.709 177.584 0.202 0.000 1.169 266 A CA 1.213 53.256 52.037 0.011 0.000 0.635 266 A CB -1.585 17.246 19.000 -0.281 0.000 0.810 266 A HN 0.828 nan 8.150 nan 0.000 0.446 267 W N 0.713 122.103 121.300 0.151 0.000 2.364 267 W HA -0.173 4.487 4.660 0.000 0.000 0.281 267 W C 1.721 178.337 176.519 0.161 0.000 1.219 267 W CA 1.336 58.740 57.345 0.099 0.000 1.220 267 W CB -1.364 28.107 29.460 0.019 0.000 1.127 267 W HN 0.525 nan 8.180 nan 0.000 0.556 268 S N -0.036 115.631 115.700 -0.056 0.000 2.561 268 S HA -0.084 4.386 4.470 0.000 0.000 0.225 268 S C 1.304 176.070 174.600 0.278 0.000 0.977 268 S CA 0.344 58.624 58.200 0.134 0.000 0.926 268 S CB -1.280 61.803 63.200 -0.196 0.000 0.769 268 S HN 0.172 nan 8.310 nan 0.000 0.533 269 F N 2.373 122.364 119.950 0.068 0.000 2.811 269 F HA 0.368 4.895 4.527 0.000 0.000 0.301 269 F C 1.890 177.715 175.800 0.042 0.000 1.151 269 F CA -0.122 57.816 58.000 -0.103 0.000 1.412 269 F CB -0.359 38.597 39.000 -0.074 0.000 1.113 269 F HN 0.342 nan 8.300 nan 0.000 0.579 270 G N -0.041 108.914 108.800 0.260 0.000 2.510 270 G HA2 0.345 4.305 3.960 0.000 0.000 0.280 270 G HA3 0.345 4.305 3.960 0.000 0.000 0.280 270 G C -1.136 174.054 174.900 0.484 0.000 1.386 270 G CA -0.560 44.637 45.100 0.161 0.000 1.047 270 G HN -0.027 nan 8.290 nan 0.000 0.527 271 L N -0.116 121.534 121.223 0.711 0.000 2.281 271 L HA 0.512 4.852 4.340 0.000 0.000 0.285 271 L C -1.128 175.979 176.870 0.396 0.000 1.074 271 L CA -0.959 54.157 54.840 0.459 0.000 0.817 271 L CB 0.358 42.596 42.059 0.299 0.000 1.168 271 L HN 0.401 nan 8.230 nan 0.000 0.434 272 W N 6.288 127.616 121.300 0.046 0.000 2.417 272 W HA 0.550 5.210 4.660 0.000 0.000 0.317 272 W C -0.450 176.004 176.519 -0.108 0.000 1.121 272 W CA -0.610 56.698 57.345 -0.062 0.000 1.208 272 W CB 0.886 30.212 29.460 -0.225 0.000 1.253 272 W HN 0.272 nan 8.180 nan 0.000 0.533 273 L N 2.735 124.005 121.223 0.078 0.000 2.381 273 L HA 0.645 4.985 4.340 0.000 0.000 0.268 273 L C -0.433 176.247 176.870 -0.316 0.000 0.997 273 L CA -0.304 54.526 54.840 -0.017 0.000 0.818 273 L CB 2.193 44.324 42.059 0.120 0.000 1.310 273 L HN 0.383 nan 8.230 nan 0.000 0.416 274 T N 0.578 114.992 114.554 -0.234 0.000 2.950 274 T HA 0.262 4.612 4.350 0.000 0.000 0.288 274 T C 1.136 175.751 174.700 -0.142 0.000 1.035 274 T CA -0.035 61.890 62.100 -0.291 0.000 1.028 274 T CB 1.638 70.591 68.868 0.142 0.000 1.109 274 T HN 0.750 nan 8.240 nan 0.000 0.514 275 T N -0.621 113.796 114.554 -0.227 0.000 3.113 275 T HA 0.140 4.490 4.350 0.000 0.000 0.263 275 T C 0.842 175.612 174.700 0.118 0.000 1.143 275 T CA 0.195 62.263 62.100 -0.053 0.000 1.090 275 T CB -0.381 67.942 68.868 -0.909 0.000 0.922 275 T HN 0.613 nan 8.240 nan 0.000 0.521 276 S N -0.059 115.734 115.700 0.155 0.000 3.769 276 S HA -0.173 4.297 4.470 0.000 0.000 0.656 276 S C 0.069 174.871 174.600 0.336 0.000 1.960 276 S CA 0.221 58.511 58.200 0.149 0.000 2.104 276 S CB -1.322 61.895 63.200 0.028 0.000 0.328 276 S HN 0.474 nan 8.310 nan 0.000 1.640 277 F N 1.990 122.052 119.950 0.187 0.000 2.085 277 F HA 0.164 4.691 4.527 0.000 0.000 0.284 277 F C 2.453 178.567 175.800 0.525 0.000 1.127 277 F CA 2.041 60.282 58.000 0.401 0.000 1.164 277 F CB -1.037 38.222 39.000 0.431 0.000 1.035 277 F HN 0.743 nan 8.300 nan 0.000 0.481 278 T N -1.278 113.250 114.554 -0.043 0.000 3.174 278 T HA 0.236 4.586 4.350 0.000 0.000 0.269 278 T C 0.560 175.132 174.700 -0.214 0.000 1.017 278 T CA 0.206 62.170 62.100 -0.227 0.000 0.899 278 T CB -1.484 67.142 68.868 -0.405 0.000 1.077 278 T HN 0.339 nan 8.240 nan 0.000 0.552 279 T N 0.946 115.481 114.554 -0.030 0.000 2.701 279 T HA 0.276 4.626 4.350 0.000 0.000 0.303 279 T C 0.130 174.826 174.700 -0.007 0.000 1.030 279 T CA -0.658 61.392 62.100 -0.084 0.000 1.010 279 T CB 0.058 68.826 68.868 -0.166 0.000 1.007 279 T HN 0.371 nan 8.240 nan 0.000 0.532 280 N N 0.646 119.366 118.700 0.033 0.000 2.515 280 N HA 0.556 5.296 4.740 0.000 0.000 0.279 280 N C -1.203 174.473 175.510 0.278 0.000 1.164 280 N CA -0.620 52.413 53.050 -0.028 0.000 0.982 280 N CB 0.540 39.015 38.487 -0.021 0.000 1.170 280 N HN 0.842 nan 8.380 nan 0.000 0.474 281 Y N -1.856 118.495 120.300 0.085 0.000 2.457 281 Y HA 0.450 5.000 4.550 0.000 0.000 0.322 281 Y C -1.927 173.983 175.900 0.018 0.000 1.218 281 Y CA -1.373 56.801 58.100 0.124 0.000 1.116 281 Y CB 0.802 39.443 38.460 0.302 0.000 1.335 281 Y HN 0.544 nan 8.280 nan 0.000 0.452 282 D N 0.077 120.536 120.400 0.100 0.000 2.825 282 D HA 0.196 4.836 4.640 0.000 0.000 0.327 282 D C 0.444 176.835 176.300 0.151 0.000 1.277 282 D CA -0.622 53.232 54.000 -0.244 0.000 0.950 282 D CB 0.878 41.488 40.800 -0.317 0.000 1.438 282 D HN 0.656 nan 8.370 nan 0.000 0.526 283 E N -0.477 119.820 120.200 0.161 0.000 2.085 283 E HA -0.199 4.151 4.350 0.000 0.000 0.194 283 E C 1.902 178.522 176.600 0.033 0.000 0.994 283 E CA 1.516 58.044 56.400 0.213 0.000 0.801 283 E CB -0.267 29.536 29.700 0.171 0.000 0.743 283 E HN 0.472 nan 8.360 nan 0.000 0.453 284 A N 0.099 122.905 122.820 -0.023 0.000 1.972 284 A HA -0.157 4.163 4.320 0.000 0.000 0.219 284 A C 2.329 179.834 177.584 -0.132 0.000 1.169 284 A CA 1.876 53.873 52.037 -0.067 0.000 0.635 284 A CB -0.793 18.172 19.000 -0.059 0.000 0.810 284 A HN 0.303 nan 8.150 nan 0.000 0.446 285 T N -0.300 114.158 114.554 -0.160 0.000 2.708 285 T HA -0.130 4.220 4.350 0.000 0.000 0.266 285 T C 1.894 176.224 174.700 -0.617 0.000 1.037 285 T CA 1.675 63.552 62.100 -0.371 0.000 1.146 285 T CB -0.451 68.261 68.868 -0.261 0.000 0.865 285 T HN 0.163 nan 8.240 nan 0.000 0.435 286 V N 2.511 122.205 119.914 -0.366 0.000 2.343 286 V HA -0.183 3.937 4.120 0.000 0.000 0.247 286 V C 2.495 178.348 176.094 -0.402 0.000 1.051 286 V CA 1.500 63.506 62.300 -0.489 0.000 1.036 286 V CB -0.580 31.011 31.823 -0.387 0.000 0.654 286 V HN 0.466 nan 8.190 nan 0.000 0.451 287 N N -0.115 118.442 118.700 -0.238 0.000 2.142 287 N HA -0.149 4.591 4.740 0.000 0.000 0.186 287 N C 2.190 177.648 175.510 -0.086 0.000 1.023 287 N CA 1.727 54.687 53.050 -0.150 0.000 0.852 287 N CB -0.414 38.013 38.487 -0.100 0.000 0.998 287 N HN 0.454 nan 8.380 nan 0.000 0.424 288 S N 0.243 115.887 115.700 -0.093 0.000 2.387 288 S HA -0.110 4.360 4.470 0.000 0.000 0.230 288 S C 1.755 176.516 174.600 0.269 0.000 1.035 288 S CA 0.933 59.145 58.200 0.020 0.000 1.014 288 S CB -0.243 62.943 63.200 -0.024 0.000 0.836 288 S HN 0.162 nan 8.310 nan 0.000 0.466 289 F N 1.092 121.068 119.950 0.043 0.000 2.084 289 F HA 0.135 4.662 4.527 0.000 0.000 0.296 289 F C 2.231 178.125 175.800 0.157 0.000 1.111 289 F CA 0.084 58.180 58.000 0.161 0.000 1.224 289 F CB -1.344 37.683 39.000 0.045 0.000 0.991 289 F HN 0.212 nan 8.300 nan 0.000 0.471 290 I N 0.212 120.890 120.570 0.179 0.000 2.179 290 I HA -0.298 3.872 4.170 0.000 0.000 0.242 290 I C 2.073 178.219 176.117 0.049 0.000 1.088 290 I CA 1.509 62.841 61.300 0.053 0.000 1.357 290 I CB -0.420 37.514 38.000 -0.110 0.000 1.051 290 I HN -0.009 nan 8.210 nan 0.000 0.409 291 D N 0.485 120.898 120.400 0.022 0.000 2.144 291 D HA -0.129 4.511 4.640 0.000 0.000 0.199 291 D C 2.234 178.501 176.300 -0.054 0.000 0.984 291 D CA 1.511 55.497 54.000 -0.023 0.000 0.834 291 D CB -0.651 40.125 40.800 -0.041 0.000 0.955 291 D HN 0.413 nan 8.370 nan 0.000 0.465 292 G N 0.595 109.374 108.800 -0.035 0.000 2.422 292 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 292 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 292 G C 1.572 176.285 174.900 -0.312 0.000 1.146 292 G CA 0.508 45.391 45.100 -0.362 0.000 0.769 292 G HN 0.106 nan 8.290 nan 0.000 0.547 293 M N 1.138 120.814 119.600 0.127 0.000 2.067 293 M HA 0.034 4.514 4.480 0.000 0.000 0.260 293 M C 3.057 179.385 176.300 0.046 0.000 1.069 293 M CA 1.493 56.910 55.300 0.195 0.000 1.117 293 M CB -1.229 31.501 32.600 0.216 0.000 1.334 293 M HN 0.314 nan 8.290 nan 0.000 0.407 294 A N 0.013 122.836 122.820 0.005 0.000 1.902 294 A HA -0.166 4.154 4.320 0.000 0.000 0.217 294 A C 2.027 179.583 177.584 -0.047 0.000 1.181 294 A CA 1.688 53.711 52.037 -0.023 0.000 0.623 294 A CB -0.763 18.218 19.000 -0.032 0.000 0.818 294 A HN 0.566 nan 8.150 nan 0.000 0.443 295 E N -0.634 119.515 120.200 -0.085 0.000 2.130 295 E HA -0.194 4.156 4.350 0.000 0.000 0.196 295 E C 1.805 178.346 176.600 -0.098 0.000 0.998 295 E CA 1.268 57.601 56.400 -0.111 0.000 0.806 295 E CB -0.105 29.490 29.700 -0.174 0.000 0.738 295 E HN 0.515 nan 8.360 nan 0.000 0.459 296 R N 0.360 120.805 120.500 -0.092 0.000 2.359 296 R HA 0.117 4.457 4.340 0.000 0.000 0.231 296 R C -0.308 175.997 176.300 0.009 0.000 0.913 296 R CA -0.073 56.001 56.100 -0.044 0.000 1.075 296 R CB 0.299 30.580 30.300 -0.030 0.000 1.087 296 R HN 0.077 nan 8.270 nan 0.000 0.515 297 N N 1.044 119.744 118.700 0.001 0.000 2.738 297 N HA -0.193 4.547 4.740 0.000 0.000 0.249 297 N C -1.156 174.378 175.510 0.040 0.000 1.047 297 N CA 0.922 53.980 53.050 0.013 0.000 0.707 297 N CB -1.121 37.371 38.487 0.009 0.000 0.937 297 N HN 0.293 nan 8.380 nan 0.000 0.545 298 L N 0.595 121.853 121.223 0.057 0.000 2.277 298 L HA 0.380 4.720 4.340 0.000 0.000 0.284 298 L C -1.929 174.964 176.870 0.038 0.000 1.028 298 L CA -1.621 53.270 54.840 0.084 0.000 0.835 298 L CB 1.107 43.258 42.059 0.153 0.000 1.215 298 L HN -0.247 nan 8.230 nan 0.000 0.425 299 P HA 0.046 nan 4.420 nan 0.000 0.264 299 P C -0.886 176.266 177.300 -0.248 0.000 1.183 299 P CA 0.176 63.234 63.100 -0.070 0.000 0.763 299 P CB 0.731 32.475 31.700 0.074 0.000 0.807 300 L N 3.763 124.675 121.223 -0.518 0.000 2.482 300 L HA 0.316 4.656 4.340 0.000 0.000 0.263 300 L C -0.204 176.250 176.870 -0.694 0.000 0.957 300 L CA -0.448 54.099 54.840 -0.489 0.000 0.836 300 L CB 1.998 43.981 42.059 -0.126 0.000 1.324 300 L HN 0.542 nan 8.230 nan 0.000 0.406 301 H N 2.591 121.677 119.070 0.028 0.000 2.926 301 H HA 0.340 4.896 4.556 0.000 0.000 0.249 301 H C -0.417 174.818 175.328 -0.156 0.000 0.963 301 H CA -0.007 56.028 56.048 -0.023 0.000 1.158 301 H CB 1.163 30.962 29.762 0.062 0.000 1.445 301 H HN 0.233 nan 8.280 nan 0.000 0.452 302 V N 1.089 120.902 119.914 -0.168 0.000 2.638 302 V HA 0.263 4.383 4.120 0.000 0.000 0.306 302 V C -1.461 174.522 176.094 -0.185 0.000 1.052 302 V CA -0.935 61.112 62.300 -0.422 0.000 0.885 302 V CB 2.432 33.488 31.823 -1.278 0.000 0.999 302 V HN 0.119 nan 8.190 nan 0.000 0.424 303 F N 3.437 123.241 119.950 -0.244 0.000 2.495 303 F HA 0.760 5.287 4.527 0.000 0.000 0.327 303 F C -0.437 175.289 175.800 -0.122 0.000 1.103 303 F CA -0.423 57.481 58.000 -0.161 0.000 0.949 303 F CB 1.619 40.511 39.000 -0.179 0.000 1.142 303 F HN 0.732 nan 8.300 nan 0.000 0.457 304 H N 4.949 123.363 119.070 -1.093 0.000 2.529 304 H HA 0.461 5.017 4.556 0.000 0.000 0.348 304 H C -1.802 173.102 175.328 -0.707 0.000 1.079 304 H CA -0.772 54.918 56.048 -0.597 0.000 1.198 304 H CB 0.967 30.502 29.762 -0.379 0.000 1.521 304 H HN 0.495 nan 8.280 nan 0.000 0.514 305 F N 3.983 123.430 119.950 -0.839 0.000 2.391 305 F HA 0.191 4.718 4.527 0.000 0.000 0.359 305 F C 0.675 176.150 175.800 -0.542 0.000 1.122 305 F CA -0.441 57.273 58.000 -0.477 0.000 1.120 305 F CB 0.814 39.673 39.000 -0.235 0.000 1.142 305 F HN 0.655 nan 8.300 nan 0.000 0.483 306 D N 1.268 121.615 120.400 -0.087 0.000 2.425 306 D HA 0.153 4.793 4.640 0.000 0.000 0.274 306 D C 1.107 177.601 176.300 0.322 0.000 1.242 306 D CA -0.298 53.831 54.000 0.214 0.000 1.060 306 D CB 0.797 41.800 40.800 0.339 0.000 1.112 306 D HN 0.561 nan 8.370 nan 0.000 0.561 307 C N -0.449 118.732 119.300 -0.198 0.000 2.403 307 C HA -0.136 4.324 4.460 0.000 0.000 0.277 307 C C 2.172 176.637 174.990 -0.875 0.000 1.248 307 C CA 0.353 58.645 59.018 -1.210 0.000 1.762 307 C CB -1.225 25.239 27.740 -2.127 0.000 2.014 307 C HN 0.458 nan 8.230 nan 0.000 0.486 308 F N 1.491 121.435 119.950 -0.010 0.000 2.725 308 F HA 0.044 4.571 4.527 0.000 0.000 0.303 308 F C 2.002 178.028 175.800 0.376 0.000 1.167 308 F CA -0.104 57.981 58.000 0.142 0.000 1.403 308 F CB -0.749 38.237 39.000 -0.023 0.000 1.077 308 F HN 0.579 nan 8.300 nan 0.000 0.537 309 W N -0.361 121.195 121.300 0.428 0.000 2.425 309 W HA 0.003 4.663 4.660 0.000 0.000 0.277 309 W C 0.157 176.758 176.519 0.137 0.000 1.231 309 W CA 0.384 57.897 57.345 0.279 0.000 1.248 309 W CB -0.612 28.690 29.460 -0.265 0.000 1.117 309 W HN -0.025 nan 8.180 nan 0.000 0.568 310 M N 1.310 120.638 119.600 -0.453 0.000 2.613 310 M HA 0.273 4.753 4.480 0.000 0.000 0.301 310 M C 0.207 176.596 176.300 0.149 0.000 1.205 310 M CA -0.625 54.471 55.300 -0.340 0.000 0.950 310 M CB 1.634 33.853 32.600 -0.636 0.000 1.585 310 M HN -0.386 nan 8.290 nan 0.000 0.490 311 K N 1.123 121.606 120.400 0.138 0.000 2.401 311 K HA 0.330 4.650 4.320 0.000 0.000 0.278 311 K C -0.290 176.285 176.600 -0.042 0.000 1.018 311 K CA -0.369 55.987 56.287 0.116 0.000 0.981 311 K CB 0.653 33.198 32.500 0.075 0.000 0.933 311 K HN 0.713 nan 8.250 nan 0.000 0.477 312 A N 2.878 125.583 122.820 -0.190 0.000 2.561 312 A HA 0.050 4.370 4.320 0.000 0.000 0.234 312 A C 0.047 177.133 177.584 -0.829 0.000 1.055 312 A CA 0.186 51.742 52.037 -0.803 0.000 0.756 312 A CB -0.578 17.968 19.000 -0.757 0.000 0.986 312 A HN 0.786 nan 8.150 nan 0.000 0.505 313 F N -1.263 118.137 119.950 -0.918 0.000 2.825 313 F HA -0.253 4.274 4.527 0.000 0.000 0.358 313 F C 1.245 176.784 175.800 -0.434 0.000 0.639 313 F CA 1.747 59.371 58.000 -0.627 0.000 1.153 313 F CB -2.027 36.742 39.000 -0.384 0.000 1.610 313 F HN 0.756 nan 8.300 nan 0.000 0.305 314 Q N -1.575 118.058 119.800 -0.278 0.000 2.155 314 Q HA 0.085 4.425 4.340 0.000 0.000 0.220 314 Q C -0.167 175.903 176.000 0.116 0.000 0.819 314 Q CA -0.264 55.523 55.803 -0.028 0.000 1.032 314 Q CB 0.535 29.296 28.738 0.038 0.000 1.151 314 Q HN 0.297 nan 8.270 nan 0.000 0.487 315 W N 0.974 122.254 121.300 -0.034 0.000 2.238 315 W HA 0.222 4.882 4.660 0.000 0.000 0.321 315 W C 0.176 176.828 176.519 0.221 0.000 1.293 315 W CA -1.841 55.540 57.345 0.060 0.000 1.204 315 W CB 0.342 29.866 29.460 0.107 0.000 1.167 315 W HN 0.033 nan 8.180 nan 0.000 0.553 316 C N 6.132 125.699 119.300 0.446 0.000 2.225 316 C HA 0.208 4.668 4.460 0.000 0.000 0.323 316 C C 1.039 175.974 174.990 -0.091 0.000 1.164 316 C CA -0.580 58.514 59.018 0.126 0.000 1.565 316 C CB -1.296 26.422 27.740 -0.037 0.000 2.124 316 C HN 0.672 nan 8.230 nan 0.000 0.461 317 D N 2.402 122.770 120.400 -0.054 0.000 2.398 317 D HA 0.097 4.737 4.640 0.000 0.000 0.210 317 D C 0.698 177.124 176.300 0.209 0.000 1.094 317 D CA -0.227 53.876 54.000 0.171 0.000 0.839 317 D CB -0.375 40.589 40.800 0.273 0.000 0.963 317 D HN 0.515 nan 8.370 nan 0.000 0.506 318 F N -0.386 119.595 119.950 0.051 0.000 2.840 318 F HA -0.193 4.334 4.527 0.000 0.000 0.310 318 F C -0.021 175.845 175.800 0.111 0.000 0.688 318 F CA 0.380 58.425 58.000 0.075 0.000 1.286 318 F CB -1.822 37.234 39.000 0.092 0.000 1.612 318 F HN -0.034 nan 8.300 nan 0.000 0.335 319 E N 0.278 120.554 120.200 0.126 0.000 2.174 319 E HA 0.217 4.567 4.350 0.000 0.000 0.282 319 E C -0.304 176.400 176.600 0.172 0.000 0.992 319 E CA -0.619 55.918 56.400 0.229 0.000 0.803 319 E CB 0.552 30.388 29.700 0.227 0.000 1.090 319 E HN 0.186 nan 8.360 nan 0.000 0.396 320 W N 1.645 123.170 121.300 0.375 0.000 2.216 320 W HA 0.009 4.669 4.660 0.000 0.000 0.326 320 W C 0.988 177.701 176.519 0.322 0.000 1.319 320 W CA -0.064 57.547 57.345 0.443 0.000 1.213 320 W CB 0.400 30.091 29.460 0.385 0.000 1.171 320 W HN 0.292 nan 8.180 nan 0.000 0.557 321 D N 4.571 125.314 120.400 0.572 0.000 2.349 321 D HA 0.016 4.656 4.640 0.000 0.000 0.266 321 D C -1.494 175.042 176.300 0.392 0.000 1.293 321 D CA -1.493 52.754 54.000 0.412 0.000 0.926 321 D CB 1.144 42.172 40.800 0.379 0.000 1.090 321 D HN 0.061 nan 8.370 nan 0.000 0.502 322 P HA -0.027 nan 4.420 nan 0.000 0.226 322 P C 1.451 178.836 177.300 0.141 0.000 1.153 322 P CA 0.590 63.820 63.100 0.217 0.000 0.777 322 P CB 0.315 32.115 31.700 0.168 0.000 0.794 323 L N -1.761 119.527 121.223 0.108 0.000 2.127 323 L HA -0.043 4.297 4.340 0.000 0.000 0.203 323 L C 2.133 178.995 176.870 -0.013 0.000 1.080 323 L CA 1.465 56.330 54.840 0.041 0.000 0.768 323 L CB -1.403 40.670 42.059 0.023 0.000 0.924 323 L HN -0.043 nan 8.230 nan 0.000 0.444 324 T N -0.644 113.890 114.554 -0.033 0.000 2.896 324 T HA 0.002 4.352 4.350 0.000 0.000 0.263 324 T C 0.165 174.599 174.700 -0.444 0.000 1.050 324 T CA 1.025 62.954 62.100 -0.284 0.000 1.140 324 T CB -0.012 68.647 68.868 -0.348 0.000 0.877 324 T HN -0.017 nan 8.240 nan 0.000 0.457 325 F N 1.134 121.208 119.950 0.206 0.000 2.622 325 F HA 0.359 4.886 4.527 0.000 0.000 0.338 325 F C -2.088 173.766 175.800 0.090 0.000 1.334 325 F CA -2.742 55.364 58.000 0.175 0.000 1.179 325 F CB 1.561 40.759 39.000 0.330 0.000 1.471 325 F HN -0.064 nan 8.300 nan 0.000 0.576 326 P HA -0.111 nan 4.420 nan 0.000 0.223 326 P C 0.255 177.582 177.300 0.045 0.000 1.151 326 P CA 1.290 64.448 63.100 0.097 0.000 0.787 326 P CB 0.420 32.150 31.700 0.051 0.000 0.788 327 D N -1.162 119.245 120.400 0.011 0.000 2.513 327 D HA 0.177 4.817 4.640 0.000 0.000 0.295 327 D C -1.903 174.271 176.300 -0.211 0.000 1.202 327 D CA -2.308 51.646 54.000 -0.078 0.000 0.849 327 D CB 0.510 41.279 40.800 -0.052 0.000 1.116 327 D HN -0.121 nan 8.370 nan 0.000 0.502 328 P HA -0.123 nan 4.420 nan 0.000 0.214 328 P C 1.312 178.200 177.300 -0.687 0.000 1.162 328 P CA 0.907 63.457 63.100 -0.916 0.000 0.879 328 P CB 0.422 31.124 31.700 -1.664 0.000 0.786 329 E N -0.312 119.607 120.200 -0.467 0.000 2.038 329 E HA -0.168 4.182 4.350 0.000 0.000 0.195 329 E C 2.250 178.709 176.600 -0.234 0.000 1.000 329 E CA 1.597 57.812 56.400 -0.309 0.000 0.803 329 E CB -1.097 28.480 29.700 -0.205 0.000 0.750 329 E HN 0.114 nan 8.360 nan 0.000 0.448 330 G N 1.611 110.297 108.800 -0.190 0.000 2.599 330 G HA2 -0.405 3.555 3.960 0.000 0.000 0.219 330 G HA3 -0.405 3.555 3.960 0.000 0.000 0.219 330 G C 1.586 176.401 174.900 -0.142 0.000 1.193 330 G CA 1.398 46.414 45.100 -0.139 0.000 0.778 330 G HN 0.400 nan 8.290 nan 0.000 0.589 331 M N -0.102 119.397 119.600 -0.168 0.000 2.108 331 M HA -0.028 4.452 4.480 0.000 0.000 0.261 331 M C 2.520 178.742 176.300 -0.131 0.000 1.066 331 M CA 1.565 56.790 55.300 -0.124 0.000 1.107 331 M CB -0.232 32.301 32.600 -0.111 0.000 1.356 331 M HN 0.301 nan 8.290 nan 0.000 0.406 332 I N -0.205 120.229 120.570 -0.226 0.000 2.163 332 I HA -0.280 3.890 4.170 0.000 0.000 0.240 332 I C 2.614 178.651 176.117 -0.133 0.000 1.081 332 I CA 1.166 62.357 61.300 -0.182 0.000 1.353 332 I CB -0.528 37.309 38.000 -0.271 0.000 1.054 332 I HN 0.314 nan 8.210 nan 0.000 0.407 333 R N 1.653 122.066 120.500 -0.144 0.000 2.096 333 R HA -0.173 4.167 4.340 0.000 0.000 0.240 333 R C 2.249 178.489 176.300 -0.101 0.000 1.139 333 R CA 1.722 57.750 56.100 -0.120 0.000 0.952 333 R CB -0.533 29.698 30.300 -0.114 0.000 0.854 333 R HN 0.234 nan 8.270 nan 0.000 0.436 334 R N -0.182 120.262 120.500 -0.093 0.000 2.105 334 R HA -0.104 4.236 4.340 0.000 0.000 0.239 334 R C 2.342 178.592 176.300 -0.083 0.000 1.135 334 R CA 1.771 57.823 56.100 -0.080 0.000 0.967 334 R CB -0.489 29.768 30.300 -0.071 0.000 0.861 334 R HN 0.261 nan 8.270 nan 0.000 0.442 335 L N 0.484 121.657 121.223 -0.082 0.000 2.072 335 L HA -0.141 4.199 4.340 0.000 0.000 0.205 335 L C 2.265 179.076 176.870 -0.098 0.000 1.079 335 L CA 1.333 56.120 54.840 -0.087 0.000 0.752 335 L CB -0.283 41.741 42.059 -0.058 0.000 0.906 335 L HN 0.126 nan 8.230 nan 0.000 0.436 336 K N 0.167 120.501 120.400 -0.109 0.000 2.097 336 K HA -0.096 4.224 4.320 0.000 0.000 0.205 336 K C 2.171 178.700 176.600 -0.118 0.000 1.050 336 K CA 1.186 57.392 56.287 -0.135 0.000 0.938 336 K CB -0.197 32.214 32.500 -0.149 0.000 0.718 336 K HN 0.249 nan 8.250 nan 0.000 0.442 337 A N 1.852 124.612 122.820 -0.100 0.000 2.070 337 A HA -0.174 4.146 4.320 0.000 0.000 0.220 337 A C 1.585 179.122 177.584 -0.080 0.000 1.159 337 A CA 1.375 53.360 52.037 -0.086 0.000 0.656 337 A CB -0.229 18.725 19.000 -0.077 0.000 0.800 337 A HN 0.223 nan 8.150 nan 0.000 0.453 338 K N -1.500 118.851 120.400 -0.083 0.000 2.487 338 K HA 0.217 4.537 4.320 0.000 0.000 0.192 338 K C 1.075 177.630 176.600 -0.074 0.000 1.027 338 K CA 0.479 56.721 56.287 -0.075 0.000 1.054 338 K CB -0.013 32.441 32.500 -0.077 0.000 0.824 338 K HN 0.645 nan 8.250 nan 0.000 0.510 339 G N 1.363 110.109 108.800 -0.090 0.000 2.176 339 G HA2 -0.235 3.725 3.960 0.000 0.000 0.232 339 G HA3 -0.235 3.725 3.960 0.000 0.000 0.232 339 G C 0.019 174.850 174.900 -0.114 0.000 0.986 339 G CA -0.398 44.648 45.100 -0.091 0.000 0.643 339 G HN 0.117 nan 8.290 nan 0.000 0.522 340 L N 1.052 122.197 121.223 -0.130 0.000 2.417 340 L HA 0.448 4.788 4.340 0.000 0.000 0.268 340 L C 0.897 177.605 176.870 -0.270 0.000 1.158 340 L CA -0.454 54.292 54.840 -0.157 0.000 0.819 340 L CB 0.616 42.610 42.059 -0.109 0.000 1.112 340 L HN -0.034 nan 8.230 nan 0.000 0.458 341 K N 2.660 122.825 120.400 -0.390 0.000 2.087 341 K HA 0.600 4.920 4.320 0.000 0.000 0.255 341 K C -0.869 175.501 176.600 -0.384 0.000 0.988 341 K CA -0.731 55.203 56.287 -0.588 0.000 0.915 341 K CB 1.940 33.719 32.500 -1.202 0.000 1.043 341 K HN 0.262 nan 8.250 nan 0.000 0.457 342 I N 0.561 120.927 120.570 -0.339 0.000 2.465 342 I HA 0.165 4.335 4.170 0.000 0.000 0.291 342 I C -0.602 175.418 176.117 -0.160 0.000 1.014 342 I CA -0.432 60.779 61.300 -0.149 0.000 1.093 342 I CB 1.741 39.706 38.000 -0.058 0.000 1.267 342 I HN 0.537 nan 8.210 nan 0.000 0.431 343 C N 7.273 126.548 119.300 -0.041 0.000 2.456 343 C HA 0.895 5.355 4.460 0.000 0.000 0.325 343 C C -0.334 174.726 174.990 0.118 0.000 1.217 343 C CA -0.389 58.665 59.018 0.061 0.000 1.687 343 C CB 0.750 28.642 27.740 0.252 0.000 2.270 343 C HN 0.675 nan 8.230 nan 0.000 0.499 344 V N 3.102 123.062 119.914 0.077 0.000 2.864 344 V HA 0.692 4.812 4.120 0.000 0.000 0.314 344 V C -0.771 175.600 176.094 0.461 0.000 1.073 344 V CA -0.899 61.415 62.300 0.023 0.000 0.956 344 V CB 1.546 33.048 31.823 -0.535 0.000 1.023 344 V HN 1.067 nan 8.190 nan 0.000 0.435 345 W N 5.836 127.378 121.300 0.402 0.000 2.303 345 W HA 0.666 5.326 4.660 0.000 0.000 0.318 345 W C -0.169 176.670 176.519 0.534 0.000 1.362 345 W CA -0.259 57.386 57.345 0.500 0.000 1.234 345 W CB 0.668 30.357 29.460 0.382 0.000 1.248 345 W HN 0.852 nan 8.180 nan 0.000 0.546 346 I N 4.766 125.180 120.570 -0.259 0.000 3.108 346 I HA 0.669 4.839 4.170 0.000 0.000 0.312 346 I C -0.815 174.719 176.117 -0.971 0.000 1.095 346 I CA -1.193 59.828 61.300 -0.465 0.000 1.000 346 I CB 2.246 40.279 38.000 0.055 0.000 1.229 346 I HN 0.587 nan 8.210 nan 0.000 0.454 347 N N 1.970 120.323 118.700 -0.579 0.000 2.934 347 N HA 0.539 5.279 4.740 0.000 0.000 0.253 347 N C -2.976 172.502 175.510 -0.055 0.000 1.466 347 N CA -1.764 51.125 53.050 -0.269 0.000 0.858 347 N CB 1.644 39.957 38.487 -0.290 0.000 1.459 347 N HN 0.433 nan 8.380 nan 0.000 0.532 348 P HA 0.326 nan 4.420 nan 0.000 0.250 348 P C -1.285 176.187 177.300 0.286 0.000 1.808 348 P CA 0.142 63.186 63.100 -0.093 0.000 1.117 348 P CB -0.396 30.962 31.700 -0.570 0.000 1.602 349 Y N -0.341 120.186 120.300 0.379 0.000 2.634 349 Y HA 0.618 5.168 4.550 0.000 0.000 0.340 349 Y C 0.170 176.261 175.900 0.318 0.000 1.058 349 Y CA -2.355 55.909 58.100 0.273 0.000 1.081 349 Y CB 1.591 40.214 38.460 0.272 0.000 1.295 349 Y HN -0.205 nan 8.280 nan 0.000 0.487 350 I N 0.750 121.537 120.570 0.361 0.000 2.610 350 I HA 0.610 4.780 4.170 0.000 0.000 0.289 350 I C -0.124 176.178 176.117 0.308 0.000 1.163 350 I CA -0.565 60.925 61.300 0.316 0.000 1.044 350 I CB 1.579 39.677 38.000 0.163 0.000 1.251 350 I HN 0.776 nan 8.210 nan 0.000 0.424 351 G N 4.423 113.353 108.800 0.216 0.000 2.491 351 G HA2 0.056 4.016 3.960 0.000 0.000 0.242 351 G HA3 0.056 4.016 3.960 0.000 0.000 0.242 351 G C 0.343 175.161 174.900 -0.138 0.000 1.266 351 G CA -0.164 44.953 45.100 0.029 0.000 0.844 351 G HN 0.850 nan 8.290 nan 0.000 0.571 352 Q N 1.144 120.629 119.800 -0.525 0.000 2.224 352 Q HA -0.097 4.243 4.340 0.000 0.000 0.203 352 Q C 2.218 177.918 176.000 -0.502 0.000 0.970 352 Q CA 1.311 56.428 55.803 -1.145 0.000 0.865 352 Q CB -0.098 27.969 28.738 -1.118 0.000 0.922 352 Q HN 0.699 nan 8.270 nan 0.000 0.445 353 K N 0.479 120.717 120.400 -0.270 0.000 2.218 353 K HA -0.089 4.231 4.320 0.000 0.000 0.205 353 K C 0.570 177.159 176.600 -0.019 0.000 1.046 353 K CA 0.699 56.911 56.287 -0.123 0.000 0.933 353 K CB -0.134 32.330 32.500 -0.060 0.000 0.728 353 K HN 0.059 nan 8.250 nan 0.000 0.454 354 S N 0.748 116.470 115.700 0.035 0.000 2.549 354 S HA 0.057 4.527 4.470 0.000 0.000 0.286 354 S C -1.878 172.818 174.600 0.160 0.000 1.314 354 S CA -1.361 56.918 58.200 0.132 0.000 1.062 354 S CB 0.944 64.272 63.200 0.214 0.000 0.865 354 S HN 0.068 nan 8.310 nan 0.000 0.498 355 P HA -0.057 nan 4.420 nan 0.000 0.221 355 P C 1.206 178.622 177.300 0.193 0.000 1.145 355 P CA 0.468 63.660 63.100 0.153 0.000 0.795 355 P CB 0.142 31.928 31.700 0.143 0.000 0.775 356 V N -1.794 118.268 119.914 0.248 0.000 3.041 356 V HA -0.136 3.984 4.120 0.000 0.000 0.260 356 V C 1.881 178.086 176.094 0.184 0.000 1.105 356 V CA 0.856 63.325 62.300 0.282 0.000 1.125 356 V CB -1.065 31.029 31.823 0.452 0.000 0.730 356 V HN 0.018 nan 8.190 nan 0.000 0.479 357 F N 1.354 121.332 119.950 0.046 0.000 2.069 357 F HA -0.231 4.296 4.527 0.000 0.000 0.298 357 F C 2.442 178.207 175.800 -0.058 0.000 1.113 357 F CA 2.388 60.372 58.000 -0.026 0.000 1.214 357 F CB -0.149 38.839 39.000 -0.020 0.000 0.978 357 F HN -0.007 nan 8.300 nan 0.000 0.474 358 K N 0.367 120.876 120.400 0.181 0.000 2.147 358 K HA -0.258 4.062 4.320 0.000 0.000 0.205 358 K C 2.219 178.776 176.600 -0.072 0.000 1.049 358 K CA 1.693 58.017 56.287 0.062 0.000 0.936 358 K CB -0.352 32.210 32.500 0.103 0.000 0.722 358 K HN 0.486 nan 8.250 nan 0.000 0.446 359 E N 0.723 120.888 120.200 -0.059 0.000 2.051 359 E HA -0.202 4.148 4.350 0.000 0.000 0.192 359 E C 2.089 178.497 176.600 -0.319 0.000 0.991 359 E CA 1.082 57.412 56.400 -0.116 0.000 0.799 359 E CB -0.074 29.631 29.700 0.008 0.000 0.748 359 E HN 0.307 nan 8.360 nan 0.000 0.449 360 L N 0.713 121.685 121.223 -0.417 0.000 2.083 360 L HA -0.207 4.133 4.340 0.000 0.000 0.209 360 L C 2.953 179.520 176.870 -0.505 0.000 1.083 360 L CA 1.465 55.955 54.840 -0.583 0.000 0.752 360 L CB -0.485 41.220 42.059 -0.590 0.000 0.899 360 L HN 0.292 nan 8.230 nan 0.000 0.433 361 Q N 0.470 119.980 119.800 -0.482 0.000 2.020 361 Q HA -0.256 4.084 4.340 0.000 0.000 0.202 361 Q C 2.076 177.929 176.000 -0.244 0.000 0.982 361 Q CA 1.856 57.441 55.803 -0.364 0.000 0.838 361 Q CB -0.008 28.539 28.738 -0.318 0.000 0.899 361 Q HN 0.492 nan 8.270 nan 0.000 0.423 362 E N 0.051 120.120 120.200 -0.218 0.000 2.130 362 E HA -0.199 4.151 4.350 0.000 0.000 0.196 362 E C 1.772 178.254 176.600 -0.196 0.000 0.998 362 E CA 1.195 57.500 56.400 -0.159 0.000 0.806 362 E CB 0.084 29.710 29.700 -0.123 0.000 0.738 362 E HN 0.285 nan 8.360 nan 0.000 0.459 363 K N -0.913 119.278 120.400 -0.350 0.000 2.379 363 K HA 0.070 4.390 4.320 0.000 0.000 0.194 363 K C 0.858 177.278 176.600 -0.299 0.000 1.031 363 K CA 0.486 56.491 56.287 -0.470 0.000 1.037 363 K CB 0.805 32.660 32.500 -1.073 0.000 0.824 363 K HN 0.207 nan 8.250 nan 0.000 0.516 364 G N 1.369 110.054 108.800 -0.192 0.000 2.182 364 G HA2 -0.237 3.723 3.960 0.000 0.000 0.248 364 G HA3 -0.237 3.723 3.960 0.000 0.000 0.248 364 G C 0.145 175.142 174.900 0.162 0.000 1.042 364 G CA -0.060 45.044 45.100 0.005 0.000 0.775 364 G HN 0.242 nan 8.290 nan 0.000 0.501 365 Y N -0.646 119.571 120.300 -0.139 0.000 2.482 365 Y HA 0.398 4.948 4.550 0.000 0.000 0.270 365 Y C 1.859 177.677 175.900 -0.136 0.000 1.152 365 Y CA -0.549 57.473 58.100 -0.130 0.000 1.292 365 Y CB 0.087 38.434 38.460 -0.189 0.000 1.070 365 Y HN 0.337 nan 8.280 nan 0.000 0.528 366 L N 0.503 121.687 121.223 -0.064 0.000 2.357 366 L HA 0.263 4.603 4.340 0.000 0.000 0.273 366 L C -0.137 176.673 176.870 -0.100 0.000 1.080 366 L CA -1.186 53.561 54.840 -0.154 0.000 0.803 366 L CB 0.984 42.870 42.059 -0.288 0.000 1.174 366 L HN -0.138 nan 8.230 nan 0.000 0.443 367 L N 3.022 124.158 121.223 -0.146 0.000 2.513 367 L HA 0.076 4.416 4.340 0.000 0.000 0.272 367 L C -0.128 176.648 176.870 -0.157 0.000 1.187 367 L CA 0.750 55.438 54.840 -0.253 0.000 0.895 367 L CB -0.107 41.650 42.059 -0.503 0.000 1.147 367 L HN 0.464 nan 8.230 nan 0.000 0.483 368 K N 4.836 125.144 120.400 -0.154 0.000 2.156 368 K HA 0.519 4.839 4.320 0.000 0.000 0.250 368 K C -0.260 176.292 176.600 -0.080 0.000 0.955 368 K CA -0.837 55.407 56.287 -0.071 0.000 0.855 368 K CB 1.342 33.821 32.500 -0.035 0.000 1.101 368 K HN 0.576 nan 8.250 nan 0.000 0.434 369 R N 1.321 121.815 120.500 -0.009 0.000 2.637 369 R HA 0.078 4.418 4.340 0.000 0.000 0.269 369 R C -1.745 174.547 176.300 -0.014 0.000 1.089 369 R CA -1.673 54.430 56.100 0.004 0.000 1.177 369 R CB 0.018 30.339 30.300 0.036 0.000 1.091 369 R HN 0.372 nan 8.270 nan 0.000 0.540 370 P HA -0.206 nan 4.420 nan 0.000 0.217 370 P C 0.375 177.675 177.300 0.001 0.000 1.148 370 P CA 1.462 64.561 63.100 -0.002 0.000 0.834 370 P CB 0.056 31.761 31.700 0.009 0.000 0.783 371 D N -2.167 118.234 120.400 0.002 0.000 2.363 371 D HA 0.050 4.690 4.640 0.000 0.000 0.226 371 D C 1.453 177.753 176.300 -0.001 0.000 1.020 371 D CA 0.838 54.839 54.000 0.001 0.000 0.892 371 D CB -0.894 39.907 40.800 0.002 0.000 0.900 371 D HN 0.260 nan 8.370 nan 0.000 0.531 372 G N -0.145 108.653 108.800 -0.003 0.000 2.194 372 G HA2 -0.280 3.680 3.960 0.000 0.000 0.236 372 G HA3 -0.280 3.680 3.960 0.000 0.000 0.236 372 G C 0.500 175.396 174.900 -0.007 0.000 0.987 372 G CA 0.382 45.480 45.100 -0.003 0.000 0.635 372 G HN 0.766 nan 8.290 nan 0.000 0.520 373 S N 0.010 115.706 115.700 -0.008 0.000 2.641 373 S HA 0.745 5.215 4.470 0.000 0.000 0.261 373 S C 0.509 175.102 174.600 -0.012 0.000 1.257 373 S CA -0.696 57.497 58.200 -0.012 0.000 0.983 373 S CB 1.331 64.522 63.200 -0.016 0.000 0.990 373 S HN 0.610 nan 8.310 nan 0.000 0.572 374 L N 0.342 121.557 121.223 -0.013 0.000 2.350 374 L HA 0.321 4.661 4.340 0.000 0.000 0.275 374 L C -0.221 176.651 176.870 0.003 0.000 1.099 374 L CA -0.715 54.123 54.840 -0.003 0.000 0.808 374 L CB 0.561 42.624 42.059 0.006 0.000 1.149 374 L HN 0.818 nan 8.230 nan 0.000 0.442 375 W N 4.209 125.422 121.300 -0.145 0.000 2.469 375 W HA 0.166 4.826 4.660 0.000 0.000 0.321 375 W C -0.298 176.135 176.519 -0.143 0.000 1.415 375 W CA 0.144 57.383 57.345 -0.177 0.000 1.308 375 W CB 0.237 29.528 29.460 -0.281 0.000 1.368 375 W HN 0.440 nan 8.180 nan 0.000 0.546 376 Q N 5.643 124.940 119.800 -0.838 0.000 2.421 376 Q HA 0.453 4.793 4.340 0.000 0.000 0.280 376 Q C -0.811 174.620 176.000 -0.949 0.000 1.085 376 Q CA -0.897 54.489 55.803 -0.696 0.000 0.807 376 Q CB 2.459 31.049 28.738 -0.247 0.000 1.405 376 Q HN 0.539 nan 8.270 nan 0.000 0.419 377 W N 0.088 120.927 121.300 -0.767 0.000 3.018 377 W HA 0.495 5.155 4.660 0.000 0.000 0.382 377 W C -0.977 175.403 176.519 -0.231 0.000 1.161 377 W CA -0.950 56.115 57.345 -0.468 0.000 1.144 377 W CB -0.057 29.151 29.460 -0.420 0.000 1.499 377 W HN 0.480 nan 8.180 nan 0.000 0.596 378 D N 0.358 120.725 120.400 -0.054 0.000 2.402 378 D HA 0.127 4.767 4.640 0.000 0.000 0.216 378 D C -0.349 175.799 176.300 -0.254 0.000 1.128 378 D CA 0.117 54.032 54.000 -0.142 0.000 0.833 378 D CB 0.512 41.225 40.800 -0.145 0.000 0.971 378 D HN 0.147 nan 8.370 nan 0.000 0.503 379 K N 0.275 120.283 120.400 -0.653 0.000 2.270 379 K HA 0.058 4.378 4.320 0.000 0.000 0.276 379 K C 0.637 177.310 176.600 0.122 0.000 1.023 379 K CA -0.431 55.573 56.287 -0.472 0.000 0.955 379 K CB 1.740 33.618 32.500 -1.036 0.000 0.975 379 K HN 0.094 nan 8.250 nan 0.000 0.471 380 W N 0.556 121.869 121.300 0.022 0.000 0.513 380 W HA -0.361 4.299 4.660 0.000 0.000 0.215 380 W C -0.844 175.742 176.519 0.111 0.000 0.928 380 W CA 1.453 58.887 57.345 0.148 0.000 0.473 380 W CB -0.508 29.057 29.460 0.176 0.000 1.889 380 W HN 0.537 nan 8.180 nan 0.000 0.736 381 Q N 1.029 120.849 119.800 0.034 0.000 2.377 381 Q HA 0.428 4.768 4.340 0.000 0.000 0.271 381 Q C -2.272 173.686 176.000 -0.070 0.000 1.077 381 Q CA -1.843 53.890 55.803 -0.117 0.000 0.820 381 Q CB 1.344 30.048 28.738 -0.057 0.000 1.347 381 Q HN -0.088 nan 8.270 nan 0.000 0.444 382 P HA 0.041 nan 4.420 nan 0.000 0.267 382 P C 0.419 177.596 177.300 -0.206 0.000 1.205 382 P CA 0.703 63.661 63.100 -0.236 0.000 0.765 382 P CB 0.278 31.727 31.700 -0.418 0.000 0.828 383 G N 2.632 111.330 108.800 -0.170 0.000 2.246 383 G HA2 -0.278 3.682 3.960 0.000 0.000 0.273 383 G HA3 -0.278 3.682 3.960 0.000 0.000 0.273 383 G C -0.086 174.742 174.900 -0.120 0.000 1.055 383 G CA -0.218 44.762 45.100 -0.201 0.000 0.851 383 G HN 0.608 nan 8.290 nan 0.000 0.500 384 L N 0.103 121.351 121.223 0.042 0.000 2.456 384 L HA 0.615 4.955 4.340 0.000 0.000 0.272 384 L C 0.637 177.625 176.870 0.197 0.000 1.189 384 L CA 0.359 55.308 54.840 0.180 0.000 0.846 384 L CB 0.747 43.005 42.059 0.333 0.000 1.111 384 L HN 0.639 nan 8.230 nan 0.000 0.475 385 A N 5.941 128.928 122.820 0.278 0.000 2.435 385 A HA 0.772 5.092 4.320 0.000 0.000 0.296 385 A C -0.919 176.737 177.584 0.119 0.000 1.147 385 A CA -0.752 51.413 52.037 0.213 0.000 0.775 385 A CB 1.189 20.291 19.000 0.172 0.000 1.340 385 A HN 0.677 nan 8.150 nan 0.000 0.427 386 I N 0.622 121.204 120.570 0.020 0.000 2.404 386 I HA 0.266 4.436 4.170 0.000 0.000 0.293 386 I C -1.107 174.937 176.117 -0.122 0.000 0.992 386 I CA -0.509 60.784 61.300 -0.013 0.000 1.149 386 I CB 1.471 39.352 38.000 -0.199 0.000 1.315 386 I HN 0.640 nan 8.210 nan 0.000 0.446 387 Y N 3.402 123.645 120.300 -0.094 0.000 2.544 387 Y HA -0.035 4.515 4.550 0.000 0.000 0.330 387 Y C 0.749 176.407 175.900 -0.404 0.000 1.136 387 Y CA 0.124 58.041 58.100 -0.303 0.000 1.417 387 Y CB 0.160 38.291 38.460 -0.549 0.000 1.229 387 Y HN 0.432 nan 8.280 nan 0.000 0.532 388 D N 4.389 124.778 120.400 -0.018 0.000 2.453 388 D HA 0.056 4.696 4.640 0.000 0.000 0.223 388 D C -0.038 176.378 176.300 0.193 0.000 1.183 388 D CA -0.014 54.095 54.000 0.182 0.000 0.933 388 D CB -0.336 40.570 40.800 0.177 0.000 1.038 388 D HN 0.526 nan 8.370 nan 0.000 0.513 389 F N 1.136 121.280 119.950 0.324 0.000 2.816 389 F HA -0.040 4.487 4.527 0.000 0.000 0.302 389 F C 2.275 178.107 175.800 0.052 0.000 1.178 389 F CA 0.232 58.270 58.000 0.063 0.000 1.421 389 F CB 0.201 39.115 39.000 -0.143 0.000 1.114 389 F HN 0.317 nan 8.300 nan 0.000 0.573 390 T N -3.967 110.777 114.554 0.317 0.000 3.040 390 T HA 0.017 4.368 4.350 0.000 0.000 0.250 390 T C 0.626 175.445 174.700 0.198 0.000 1.058 390 T CA -0.267 61.982 62.100 0.248 0.000 0.988 390 T CB -0.232 68.813 68.868 0.295 0.000 0.993 390 T HN -0.014 nan 8.240 nan 0.000 0.519 391 N N 2.656 121.378 118.700 0.037 0.000 2.420 391 N HA 0.281 5.021 4.740 0.000 0.000 0.249 391 N C -2.093 173.219 175.510 -0.330 0.000 1.033 391 N CA -2.309 50.452 53.050 -0.482 0.000 0.944 391 N CB 1.810 39.975 38.487 -0.537 0.000 1.113 391 N HN -0.022 nan 8.380 nan 0.000 0.502 392 P HA -0.108 nan 4.420 nan 0.000 0.216 392 P C 0.360 177.547 177.300 -0.189 0.000 1.153 392 P CA 1.222 64.232 63.100 -0.149 0.000 0.858 392 P CB 0.423 32.080 31.700 -0.071 0.000 0.789 393 D N -1.119 119.099 120.400 -0.303 0.000 2.194 393 D HA -0.022 4.618 4.640 0.000 0.000 0.204 393 D C 1.977 177.852 176.300 -0.708 0.000 0.964 393 D CA 1.111 54.910 54.000 -0.336 0.000 0.846 393 D CB -0.620 40.065 40.800 -0.191 0.000 0.962 393 D HN 0.070 nan 8.370 nan 0.000 0.490 394 A N 0.573 122.876 122.820 -0.861 0.000 1.902 394 A HA -0.181 4.139 4.320 0.000 0.000 0.217 394 A C 2.485 180.059 177.584 -0.015 0.000 1.181 394 A CA 1.194 52.853 52.037 -0.630 0.000 0.623 394 A CB -0.894 17.952 19.000 -0.257 0.000 0.818 394 A HN 0.336 nan 8.150 nan 0.000 0.443 395 C N -0.644 118.674 119.300 0.031 0.000 2.429 395 C HA -0.052 4.408 4.460 0.000 0.000 0.277 395 C C 2.675 177.711 174.990 0.076 0.000 1.262 395 C CA 1.242 60.325 59.018 0.107 0.000 1.733 395 C CB -1.026 26.712 27.740 -0.002 0.000 2.010 395 C HN 0.752 nan 8.230 nan 0.000 0.483 396 K N -0.409 120.004 120.400 0.022 0.000 2.026 396 K HA -0.248 4.072 4.320 0.000 0.000 0.208 396 K C 2.037 178.703 176.600 0.109 0.000 1.048 396 K CA 1.886 58.194 56.287 0.034 0.000 0.929 396 K CB -0.386 32.128 32.500 0.023 0.000 0.713 396 K HN 0.669 nan 8.250 nan 0.000 0.439 397 W N 0.404 121.691 121.300 -0.022 0.000 2.363 397 W HA -0.253 4.407 4.660 0.000 0.000 0.296 397 W C 1.923 178.481 176.519 0.065 0.000 1.212 397 W CA 1.703 59.097 57.345 0.083 0.000 1.260 397 W CB -0.213 29.386 29.460 0.232 0.000 1.131 397 W HN 0.232 nan 8.180 nan 0.000 0.530 398 Y N 0.428 120.903 120.300 0.291 0.000 2.243 398 Y HA -0.046 4.504 4.550 0.000 0.000 0.293 398 Y C 2.372 178.113 175.900 -0.264 0.000 1.124 398 Y CA 2.255 60.406 58.100 0.084 0.000 1.159 398 Y CB -0.849 37.690 38.460 0.132 0.000 1.008 398 Y HN -0.059 nan 8.280 nan 0.000 0.527 399 A N 0.264 123.096 122.820 0.020 0.000 1.940 399 A HA -0.228 4.092 4.320 0.000 0.000 0.219 399 A C 1.821 179.253 177.584 -0.254 0.000 1.176 399 A CA 2.177 54.136 52.037 -0.130 0.000 0.631 399 A CB -0.812 18.142 19.000 -0.076 0.000 0.814 399 A HN 0.543 nan 8.150 nan 0.000 0.446 400 D N -0.253 119.991 120.400 -0.261 0.000 2.144 400 D HA -0.095 4.545 4.640 0.000 0.000 0.200 400 D C 1.901 177.949 176.300 -0.421 0.000 0.978 400 D CA 0.972 54.799 54.000 -0.288 0.000 0.833 400 D CB -0.165 40.478 40.800 -0.261 0.000 0.961 400 D HN 0.223 nan 8.370 nan 0.000 0.470 401 K N 0.601 120.592 120.400 -0.683 0.000 2.063 401 K HA -0.066 4.254 4.320 0.000 0.000 0.208 401 K C 2.358 178.497 176.600 -0.768 0.000 1.048 401 K CA 0.425 56.186 56.287 -0.878 0.000 0.928 401 K CB -0.656 30.931 32.500 -1.521 0.000 0.713 401 K HN 0.271 nan 8.250 nan 0.000 0.442 402 L N 0.792 121.531 121.223 -0.806 0.000 2.017 402 L HA -0.188 4.152 4.340 0.000 0.000 0.208 402 L C 2.421 179.196 176.870 -0.159 0.000 1.073 402 L CA 1.396 55.920 54.840 -0.526 0.000 0.745 402 L CB -0.413 41.293 42.059 -0.589 0.000 0.894 402 L HN 0.171 nan 8.230 nan 0.000 0.432 403 K N 0.115 120.407 120.400 -0.180 0.000 2.103 403 K HA -0.148 4.172 4.320 0.000 0.000 0.207 403 K C 2.103 178.657 176.600 -0.076 0.000 1.048 403 K CA 1.321 57.553 56.287 -0.093 0.000 0.930 403 K CB -0.541 31.895 32.500 -0.106 0.000 0.716 403 K HN 0.409 nan 8.250 nan 0.000 0.444 404 G N 1.114 109.843 108.800 -0.118 0.000 2.442 404 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 404 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 404 G C 1.421 176.322 174.900 0.001 0.000 1.141 404 G CA 0.741 45.800 45.100 -0.067 0.000 0.763 404 G HN 0.117 nan 8.290 nan 0.000 0.554 405 L N -0.055 121.188 121.223 0.034 0.000 2.131 405 L HA 0.014 4.354 4.340 0.000 0.000 0.206 405 L C 2.947 179.840 176.870 0.039 0.000 1.087 405 L CA 0.149 55.052 54.840 0.105 0.000 0.767 405 L CB -0.345 41.844 42.059 0.217 0.000 0.917 405 L HN 0.064 nan 8.230 nan 0.000 0.441 406 V N 0.261 120.204 119.914 0.049 0.000 2.295 406 V HA -0.301 3.819 4.120 0.000 0.000 0.246 406 V C 2.738 178.798 176.094 -0.057 0.000 1.049 406 V CA 1.890 64.173 62.300 -0.027 0.000 1.024 406 V CB -0.887 30.937 31.823 0.002 0.000 0.648 406 V HN 0.483 nan 8.190 nan 0.000 0.447 407 A N 0.532 123.326 122.820 -0.043 0.000 2.070 407 A HA -0.210 4.110 4.320 0.000 0.000 0.220 407 A C 2.160 179.705 177.584 -0.065 0.000 1.159 407 A CA 2.062 54.067 52.037 -0.054 0.000 0.656 407 A CB -0.569 18.403 19.000 -0.047 0.000 0.800 407 A HN 0.726 nan 8.150 nan 0.000 0.453 408 M N -2.862 116.701 119.600 -0.063 0.000 2.561 408 M HA 0.397 4.877 4.480 0.000 0.000 0.238 408 M C 1.044 177.266 176.300 -0.129 0.000 1.131 408 M CA 1.227 56.471 55.300 -0.094 0.000 1.046 408 M CB 0.240 32.786 32.600 -0.091 0.000 1.532 408 M HN 0.549 nan 8.290 nan 0.000 0.497 409 G N 0.500 109.225 108.800 -0.124 0.000 2.211 409 G HA2 -0.160 3.800 3.960 0.000 0.000 0.201 409 G HA3 -0.160 3.800 3.960 0.000 0.000 0.201 409 G C -0.111 174.682 174.900 -0.179 0.000 0.997 409 G CA -0.115 44.894 45.100 -0.151 0.000 0.652 409 G HN 0.338 nan 8.290 nan 0.000 0.500 410 V N 2.204 122.011 119.914 -0.178 0.000 2.585 410 V HA 0.205 4.325 4.120 0.000 0.000 0.296 410 V C 1.105 177.010 176.094 -0.314 0.000 1.035 410 V CA 0.980 63.131 62.300 -0.249 0.000 1.084 410 V CB 1.307 32.969 31.823 -0.269 0.000 0.953 410 V HN 0.343 nan 8.190 nan 0.000 0.483 411 D N 2.370 122.570 120.400 -0.333 0.000 2.327 411 D HA 0.125 4.765 4.640 0.000 0.000 0.205 411 D C 0.455 176.620 176.300 -0.226 0.000 0.989 411 D CA 0.847 54.673 54.000 -0.290 0.000 0.873 411 D CB 0.652 41.209 40.800 -0.407 0.000 0.955 411 D HN 0.767 nan 8.370 nan 0.000 0.515 412 C N -1.578 117.502 119.300 -0.366 0.000 3.284 412 C HA 0.735 5.195 4.460 0.000 0.000 0.348 412 C C -1.508 173.131 174.990 -0.584 0.000 1.448 412 C CA -1.399 57.432 59.018 -0.312 0.000 1.223 412 C CB 0.772 28.611 27.740 0.165 0.000 1.588 412 C HN -0.018 nan 8.230 nan 0.000 0.451 413 F N 0.571 120.614 119.950 0.154 0.000 2.565 413 F HA 0.619 5.146 4.527 0.000 0.000 0.313 413 F C 0.050 175.930 175.800 0.134 0.000 1.091 413 F CA -0.640 57.440 58.000 0.133 0.000 0.915 413 F CB 1.771 40.820 39.000 0.082 0.000 1.208 413 F HN 0.752 nan 8.300 nan 0.000 0.453 414 K N 1.908 122.500 120.400 0.320 0.000 2.263 414 K HA 0.260 4.580 4.320 0.000 0.000 0.282 414 K C -0.476 176.171 176.600 0.078 0.000 1.089 414 K CA -0.338 56.027 56.287 0.130 0.000 0.907 414 K CB 0.549 33.015 32.500 -0.057 0.000 1.148 414 K HN 0.730 nan 8.250 nan 0.000 0.470 415 T N 1.352 115.949 114.554 0.071 0.000 3.176 415 T HA 0.089 4.439 4.350 0.000 0.000 0.301 415 T C 0.018 174.791 174.700 0.122 0.000 1.115 415 T CA -0.906 61.187 62.100 -0.012 0.000 1.027 415 T CB 0.236 68.862 68.868 -0.403 0.000 1.063 415 T HN 0.434 nan 8.240 nan 0.000 0.669 416 D N 1.374 121.817 120.400 0.072 0.000 2.377 416 D HA 0.431 5.071 4.640 0.000 0.000 0.245 416 D C 0.695 177.113 176.300 0.196 0.000 1.196 416 D CA -0.652 53.425 54.000 0.127 0.000 0.962 416 D CB 0.154 41.052 40.800 0.164 0.000 1.127 416 D HN 0.454 nan 8.370 nan 0.000 0.471 417 F N -0.497 119.444 119.950 -0.015 0.000 2.181 417 F HA -0.200 4.327 4.527 0.000 0.000 0.317 417 F C 1.745 177.582 175.800 0.060 0.000 0.129 417 F CA 1.294 59.273 58.000 -0.034 0.000 0.911 417 F CB -1.386 37.474 39.000 -0.233 0.000 4.128 417 F HN 0.568 nan 8.300 nan 0.000 0.142 418 G N -1.015 107.945 108.800 0.266 0.000 2.159 418 G HA2 -0.182 3.778 3.960 0.000 0.000 0.227 418 G HA3 -0.182 3.778 3.960 0.000 0.000 0.227 418 G C 0.552 175.636 174.900 0.307 0.000 0.986 418 G CA 0.651 45.934 45.100 0.306 0.000 0.651 418 G HN 0.930 nan 8.290 nan 0.000 0.523 419 E N 0.529 120.913 120.200 0.307 0.000 2.166 419 E HA 0.101 4.451 4.350 0.000 0.000 0.192 419 E C 1.531 178.140 176.600 0.015 0.000 0.967 419 E CA 0.202 56.687 56.400 0.142 0.000 0.840 419 E CB -0.299 29.523 29.700 0.202 0.000 0.795 419 E HN 0.485 nan 8.360 nan 0.000 0.470 420 R N 1.570 122.193 120.500 0.204 0.000 4.496 420 R HA 0.228 4.568 4.340 0.000 0.000 0.211 420 R C -0.373 175.846 176.300 -0.136 0.000 1.738 420 R CA -0.259 55.953 56.100 0.187 0.000 1.528 420 R CB -0.078 30.476 30.300 0.423 0.000 1.414 420 R HN 0.058 nan 8.270 nan 0.000 0.812 421 I N 3.897 124.315 120.570 -0.254 0.000 2.352 421 I HA 0.186 4.356 4.170 0.000 0.000 0.290 421 I C -1.657 174.360 176.117 -0.167 0.000 1.036 421 I CA -3.332 57.741 61.300 -0.378 0.000 1.336 421 I CB 0.503 38.265 38.000 -0.396 0.000 1.407 421 I HN 0.095 nan 8.210 nan 0.000 0.497 422 P HA 0.213 nan 4.420 nan 0.000 0.276 422 P C 0.429 177.618 177.300 -0.185 0.000 1.244 422 P CA -0.126 62.700 63.100 -0.457 0.000 0.801 422 P CB 1.069 32.072 31.700 -1.162 0.000 1.006 423 T N -3.873 110.683 114.554 0.004 0.000 2.990 423 T HA 0.020 4.370 4.350 0.000 0.000 0.250 423 T C 0.512 175.237 174.700 0.042 0.000 1.041 423 T CA -0.042 62.126 62.100 0.112 0.000 1.010 423 T CB -0.526 68.477 68.868 0.224 0.000 1.003 423 T HN 0.395 nan 8.240 nan 0.000 0.499 424 D N 2.103 122.509 120.400 0.010 0.000 2.688 424 D HA 0.413 5.053 4.640 0.000 0.000 0.228 424 D C -0.251 176.040 176.300 -0.016 0.000 1.116 424 D CA -0.292 53.729 54.000 0.036 0.000 1.023 424 D CB 0.421 41.277 40.800 0.093 0.000 1.100 424 D HN 0.240 nan 8.370 nan 0.000 0.487 425 V N 0.120 119.984 119.914 -0.083 0.000 3.216 425 V HA 0.312 4.432 4.120 0.000 0.000 0.302 425 V C -1.549 174.435 176.094 -0.183 0.000 1.286 425 V CA -0.905 61.265 62.300 -0.216 0.000 1.048 425 V CB 2.868 34.394 31.823 -0.494 0.000 1.081 425 V HN 0.393 nan 8.190 nan 0.000 0.442 426 Q N 1.940 121.612 119.800 -0.214 0.000 2.347 426 Q HA 0.348 4.688 4.340 0.000 0.000 0.265 426 Q C -1.704 174.233 176.000 -0.106 0.000 1.024 426 Q CA -0.504 55.249 55.803 -0.084 0.000 0.731 426 Q CB 1.172 29.896 28.738 -0.023 0.000 1.245 426 Q HN 0.689 nan 8.270 nan 0.000 0.472 427 W N 2.714 124.046 121.300 0.054 0.000 2.150 427 W HA 0.091 4.751 4.660 0.000 0.000 0.341 427 W C 1.159 177.760 176.519 0.136 0.000 1.276 427 W CA -0.449 56.956 57.345 0.101 0.000 1.238 427 W CB 0.347 29.872 29.460 0.108 0.000 1.128 427 W HN 0.716 nan 8.180 nan 0.000 0.581 428 F N 2.507 122.626 119.950 0.281 0.000 2.120 428 F HA -0.334 4.193 4.527 0.000 0.000 0.300 428 F C 2.197 178.098 175.800 0.169 0.000 1.095 428 F CA 2.348 60.458 58.000 0.182 0.000 1.249 428 F CB -0.093 39.012 39.000 0.174 0.000 0.995 428 F HN 0.391 nan 8.300 nan 0.000 0.480 429 D N -0.637 119.994 120.400 0.384 0.000 2.340 429 D HA 0.079 4.719 4.640 0.000 0.000 0.220 429 D C 1.686 178.058 176.300 0.120 0.000 1.039 429 D CA 0.784 54.911 54.000 0.212 0.000 0.866 429 D CB -0.766 40.186 40.800 0.253 0.000 0.913 429 D HN 0.438 nan 8.370 nan 0.000 0.523 430 G N 0.263 109.154 108.800 0.152 0.000 2.179 430 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 430 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 430 G C 0.347 175.326 174.900 0.133 0.000 1.010 430 G CA 0.512 45.688 45.100 0.126 0.000 0.736 430 G HN 0.492 nan 8.290 nan 0.000 0.513 431 S N -0.303 115.484 115.700 0.144 0.000 2.596 431 S HA 0.361 4.831 4.470 0.000 0.000 0.260 431 S C 0.335 174.999 174.600 0.107 0.000 1.336 431 S CA -0.077 58.150 58.200 0.046 0.000 0.993 431 S CB 1.151 64.294 63.200 -0.096 0.000 0.923 431 S HN 0.434 nan 8.310 nan 0.000 0.567 432 D N 1.310 121.737 120.400 0.045 0.000 2.358 432 D HA 0.193 4.833 4.640 0.000 0.000 0.258 432 D C -1.688 174.706 176.300 0.156 0.000 1.223 432 D CA -2.127 51.933 54.000 0.100 0.000 0.886 432 D CB 0.882 41.721 40.800 0.064 0.000 1.120 432 D HN 0.030 nan 8.370 nan 0.000 0.482 433 P HA -0.140 nan 4.420 nan 0.000 0.219 433 P C 1.197 178.696 177.300 0.332 0.000 1.146 433 P CA 0.906 64.251 63.100 0.409 0.000 0.808 433 P CB 0.285 32.199 31.700 0.357 0.000 0.779 434 Q N -0.027 119.936 119.800 0.271 0.000 2.119 434 Q HA -0.115 4.225 4.340 0.000 0.000 0.201 434 Q C 1.872 178.063 176.000 0.318 0.000 0.972 434 Q CA 1.414 57.418 55.803 0.335 0.000 0.847 434 Q CB -0.450 28.433 28.738 0.241 0.000 0.903 434 Q HN 0.421 nan 8.270 nan 0.000 0.433 435 K N -0.427 120.078 120.400 0.176 0.000 2.186 435 K HA 0.083 4.403 4.320 0.000 0.000 0.202 435 K C 1.990 178.628 176.600 0.064 0.000 1.052 435 K CA 0.362 56.702 56.287 0.087 0.000 0.965 435 K CB 0.078 32.553 32.500 -0.040 0.000 0.746 435 K HN 0.075 nan 8.250 nan 0.000 0.457 436 M N 0.292 119.903 119.600 0.018 0.000 2.374 436 M HA -0.125 4.355 4.480 0.000 0.000 0.264 436 M C 1.930 178.254 176.300 0.040 0.000 1.067 436 M CA 1.542 56.779 55.300 -0.105 0.000 1.103 436 M CB -0.863 31.415 32.600 -0.537 0.000 1.402 436 M HN 0.236 nan 8.290 nan 0.000 0.444 437 H N 0.892 119.969 119.070 0.011 0.000 2.319 437 H HA -0.120 4.436 4.556 0.000 0.000 0.299 437 H C 1.774 177.008 175.328 -0.157 0.000 1.092 437 H CA 2.307 58.255 56.048 -0.167 0.000 1.302 437 H CB 0.218 29.610 29.762 -0.617 0.000 1.373 437 H HN 0.304 nan 8.280 nan 0.000 0.497 438 N N -0.972 117.702 118.700 -0.042 0.000 2.305 438 N HA -0.105 4.635 4.740 0.000 0.000 0.179 438 N C 1.771 177.386 175.510 0.174 0.000 1.019 438 N CA 1.077 54.159 53.050 0.054 0.000 0.869 438 N CB -0.498 38.124 38.487 0.224 0.000 1.000 438 N HN 0.480 nan 8.380 nan 0.000 0.431 439 H N -0.195 118.936 119.070 0.102 0.000 2.457 439 H HA -0.066 4.490 4.556 0.000 0.000 0.294 439 H C 1.729 177.147 175.328 0.150 0.000 1.064 439 H CA 1.145 57.271 56.048 0.130 0.000 1.330 439 H CB -0.223 29.558 29.762 0.031 0.000 1.395 439 H HN 0.206 nan 8.280 nan 0.000 0.541 440 Y N 0.463 120.749 120.300 -0.023 0.000 2.102 440 Y HA -0.368 4.182 4.550 0.000 0.000 0.280 440 Y C 2.596 178.545 175.900 0.082 0.000 1.178 440 Y CA 2.069 60.157 58.100 -0.019 0.000 1.146 440 Y CB -0.833 37.613 38.460 -0.023 0.000 0.968 440 Y HN 0.336 nan 8.280 nan 0.000 0.504 441 A N -0.740 122.210 122.820 0.216 0.000 1.917 441 A HA -0.305 4.015 4.320 0.000 0.000 0.219 441 A C 2.150 179.793 177.584 0.098 0.000 1.182 441 A CA 1.958 54.125 52.037 0.217 0.000 0.633 441 A CB -1.607 17.517 19.000 0.207 0.000 0.819 441 A HN 0.746 nan 8.150 nan 0.000 0.448 442 Y N 1.277 121.515 120.300 -0.104 0.000 2.163 442 Y HA -0.183 4.367 4.550 0.000 0.000 0.288 442 Y C 2.106 177.853 175.900 -0.254 0.000 1.136 442 Y CA 2.003 60.017 58.100 -0.145 0.000 1.147 442 Y CB -0.283 38.007 38.460 -0.283 0.000 0.987 442 Y HN 0.422 nan 8.280 nan 0.000 0.509 443 I N -1.850 118.559 120.570 -0.269 0.000 2.394 443 I HA -0.203 3.967 4.170 0.000 0.000 0.251 443 I C 2.347 178.157 176.117 -0.512 0.000 1.136 443 I CA 1.650 62.736 61.300 -0.357 0.000 1.425 443 I CB -1.154 36.729 38.000 -0.195 0.000 1.079 443 I HN 0.354 nan 8.210 nan 0.000 0.425 444 Y N 2.608 122.523 120.300 -0.642 0.000 2.133 444 Y HA -0.226 4.324 4.550 0.000 0.000 0.287 444 Y C 2.494 178.044 175.900 -0.583 0.000 1.134 444 Y CA 1.665 59.346 58.100 -0.699 0.000 1.133 444 Y CB -0.203 38.025 38.460 -0.386 0.000 0.987 444 Y HN 0.155 nan 8.280 nan 0.000 0.502 445 N N 0.631 118.942 118.700 -0.648 0.000 2.142 445 N HA -0.225 4.515 4.740 0.000 0.000 0.186 445 N C 1.816 176.720 175.510 -1.009 0.000 1.023 445 N CA 1.592 54.197 53.050 -0.742 0.000 0.852 445 N CB -0.381 37.856 38.487 -0.416 0.000 0.998 445 N HN 0.600 nan 8.380 nan 0.000 0.424 446 E N 1.513 120.947 120.200 -1.277 0.000 2.085 446 E HA -0.166 4.184 4.350 0.000 0.000 0.194 446 E C 2.214 178.359 176.600 -0.759 0.000 0.994 446 E CA 0.664 56.183 56.400 -1.468 0.000 0.801 446 E CB -0.122 28.945 29.700 -1.056 0.000 0.743 446 E HN 0.269 nan 8.360 nan 0.000 0.453 447 L N 0.493 121.340 121.223 -0.626 0.000 2.012 447 L HA -0.177 4.163 4.340 0.000 0.000 0.210 447 L C 2.356 179.019 176.870 -0.345 0.000 1.073 447 L CA 1.287 55.843 54.840 -0.474 0.000 0.748 447 L CB -0.184 41.480 42.059 -0.659 0.000 0.891 447 L HN 0.104 nan 8.230 nan 0.000 0.431 448 V N -0.662 119.034 119.914 -0.362 0.000 2.358 448 V HA -0.309 3.811 4.120 0.000 0.000 0.246 448 V C 2.141 178.178 176.094 -0.095 0.000 1.047 448 V CA 2.131 64.304 62.300 -0.212 0.000 1.035 448 V CB -0.867 30.818 31.823 -0.229 0.000 0.658 448 V HN 0.715 nan 8.190 nan 0.000 0.452 449 W N 1.451 122.523 121.300 -0.381 0.000 2.335 449 W HA -0.209 4.451 4.660 0.000 0.000 0.311 449 W C 2.194 178.605 176.519 -0.179 0.000 1.213 449 W CA 1.977 59.155 57.345 -0.278 0.000 1.274 449 W CB -0.360 28.802 29.460 -0.496 0.000 1.148 449 W HN 0.348 nan 8.180 nan 0.000 0.498 450 N N 0.508 119.173 118.700 -0.058 0.000 2.309 450 N HA -0.146 4.594 4.740 0.000 0.000 0.182 450 N C 1.695 177.131 175.510 -0.123 0.000 1.018 450 N CA 1.435 54.436 53.050 -0.082 0.000 0.876 450 N CB -0.815 37.633 38.487 -0.065 0.000 0.972 450 N HN 0.044 nan 8.380 nan 0.000 0.434 451 V N 0.869 120.709 119.914 -0.123 0.000 2.343 451 V HA -0.166 3.954 4.120 0.000 0.000 0.247 451 V C 2.168 178.208 176.094 -0.089 0.000 1.051 451 V CA 1.061 63.306 62.300 -0.092 0.000 1.036 451 V CB -0.341 31.435 31.823 -0.078 0.000 0.654 451 V HN 0.172 nan 8.190 nan 0.000 0.451 452 L N -0.128 121.017 121.223 -0.131 0.000 2.046 452 L HA -0.151 4.190 4.340 0.000 0.000 0.208 452 L C 2.336 179.056 176.870 -0.251 0.000 1.077 452 L CA 1.818 56.542 54.840 -0.193 0.000 0.747 452 L CB -1.164 40.710 42.059 -0.309 0.000 0.896 452 L HN 0.289 nan 8.230 nan 0.000 0.432 453 K N -0.579 119.622 120.400 -0.330 0.000 2.147 453 K HA -0.171 4.149 4.320 0.000 0.000 0.205 453 K C 1.290 177.814 176.600 -0.126 0.000 1.049 453 K CA 1.403 57.542 56.287 -0.247 0.000 0.936 453 K CB 0.074 32.454 32.500 -0.201 0.000 0.722 453 K HN 0.295 nan 8.250 nan 0.000 0.446 454 D N -0.950 119.387 120.400 -0.105 0.000 2.348 454 D HA -0.047 4.593 4.640 0.000 0.000 0.211 454 D C 1.425 177.686 176.300 -0.064 0.000 0.998 454 D CA 1.043 55.002 54.000 -0.069 0.000 0.873 454 D CB 0.554 41.318 40.800 -0.060 0.000 0.925 454 D HN 0.427 nan 8.370 nan 0.000 0.524 455 T N -2.330 112.179 114.554 -0.075 0.000 3.447 455 T HA -0.004 4.346 4.350 0.000 0.000 0.218 455 T C 2.020 176.681 174.700 -0.065 0.000 0.972 455 T CA 0.680 62.742 62.100 -0.063 0.000 1.264 455 T CB -0.735 68.100 68.868 -0.054 0.000 1.284 455 T HN -0.079 nan 8.240 nan 0.000 0.361 456 V N 0.448 120.318 119.914 -0.074 0.000 2.759 456 V HA 0.479 4.599 4.120 0.000 0.000 0.256 456 V C 1.324 177.384 176.094 -0.056 0.000 1.080 456 V CA 0.587 62.849 62.300 -0.063 0.000 1.101 456 V CB -1.751 30.039 31.823 -0.055 0.000 0.698 456 V HN 1.461 nan 8.190 nan 0.000 0.477 457 G N -0.344 108.406 108.800 -0.084 0.000 2.675 457 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 457 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 457 G C 0.023 174.855 174.900 -0.114 0.000 1.215 457 G CA 0.149 45.203 45.100 -0.077 0.000 0.777 457 G HN 0.387 nan 8.290 nan 0.000 0.638 458 E N 0.089 120.231 120.200 -0.096 0.000 2.085 458 E HA -0.178 4.172 4.350 0.000 0.000 0.194 458 E C 2.193 178.758 176.600 -0.057 0.000 0.994 458 E CA 1.866 58.201 56.400 -0.108 0.000 0.801 458 E CB 0.003 29.706 29.700 0.005 0.000 0.743 458 E HN 0.753 nan 8.360 nan 0.000 0.453 459 E N 0.178 120.378 120.200 -0.001 0.000 2.265 459 E HA -0.159 4.191 4.350 0.000 0.000 0.196 459 E C 1.526 178.146 176.600 0.033 0.000 0.996 459 E CA 0.720 57.145 56.400 0.041 0.000 0.832 459 E CB 0.051 29.785 29.700 0.057 0.000 0.756 459 E HN 0.170 nan 8.360 nan 0.000 0.491 460 E N 0.398 120.606 120.200 0.012 0.000 2.479 460 E HA 0.160 4.510 4.350 0.000 0.000 0.193 460 E C 0.127 176.723 176.600 -0.007 0.000 1.049 460 E CA 0.063 56.514 56.400 0.084 0.000 0.870 460 E CB 0.498 30.271 29.700 0.123 0.000 0.944 460 E HN 0.182 nan 8.360 nan 0.000 0.492 461 A N 1.211 123.908 122.820 -0.205 0.000 2.366 461 A HA 0.464 4.784 4.320 0.000 0.000 0.272 461 A C -0.170 177.252 177.584 -0.269 0.000 1.135 461 A CA -0.262 51.495 52.037 -0.466 0.000 0.804 461 A CB 0.900 19.168 19.000 -1.221 0.000 1.064 461 A HN 0.019 nan 8.150 nan 0.000 0.499 462 V N 3.835 123.710 119.914 -0.065 0.000 3.120 462 V HA 0.656 4.776 4.120 0.000 0.000 0.303 462 V C -1.153 175.086 176.094 0.242 0.000 1.238 462 V CA -0.552 61.840 62.300 0.153 0.000 1.008 462 V CB 2.016 33.830 31.823 -0.015 0.000 1.064 462 V HN 0.907 nan 8.190 nan 0.000 0.434 463 L N 3.596 124.966 121.223 0.245 0.000 2.257 463 L HA 0.674 5.014 4.340 0.000 0.000 0.257 463 L C -1.577 175.359 176.870 0.109 0.000 1.033 463 L CA -0.703 54.257 54.840 0.200 0.000 0.835 463 L CB 2.376 44.521 42.059 0.143 0.000 1.398 463 L HN 0.619 nan 8.230 nan 0.000 0.429 464 F N 1.087 120.967 119.950 -0.117 0.000 2.646 464 F HA 0.614 5.141 4.527 0.000 0.000 0.364 464 F C -0.024 175.775 175.800 -0.001 0.000 1.137 464 F CA -0.508 57.353 58.000 -0.233 0.000 1.085 464 F CB 1.389 40.088 39.000 -0.501 0.000 1.331 464 F HN 0.335 nan 8.300 nan 0.000 0.472 465 A N 4.464 127.261 122.820 -0.038 0.000 2.317 465 A HA 0.590 4.910 4.320 0.000 0.000 0.327 465 A C 0.886 178.420 177.584 -0.083 0.000 1.178 465 A CA -0.595 51.407 52.037 -0.058 0.000 0.817 465 A CB 1.184 19.962 19.000 -0.370 0.000 1.189 465 A HN 0.868 nan 8.150 nan 0.000 0.489 466 R N 0.945 121.308 120.500 -0.227 0.000 2.112 466 R HA 0.059 4.399 4.340 0.000 0.000 0.216 466 R C 0.725 176.803 176.300 -0.371 0.000 1.080 466 R CA 1.364 57.004 56.100 -0.767 0.000 0.996 466 R CB 0.082 29.776 30.300 -1.011 0.000 0.902 466 R HN 0.833 nan 8.270 nan 0.000 0.449 467 S N -1.157 114.495 115.700 -0.081 0.000 2.689 467 S HA 0.862 5.332 4.470 0.000 0.000 0.306 467 S C -0.699 173.978 174.600 0.128 0.000 1.104 467 S CA -0.565 57.665 58.200 0.050 0.000 0.973 467 S CB 2.428 65.704 63.200 0.127 0.000 1.121 467 S HN 0.219 nan 8.310 nan 0.000 0.523 468 A N 0.245 123.130 122.820 0.109 0.000 2.588 468 A HA 0.939 5.259 4.320 0.000 0.000 0.290 468 A C -0.486 177.201 177.584 0.171 0.000 1.136 468 A CA -0.495 51.637 52.037 0.158 0.000 0.681 468 A CB 1.125 20.106 19.000 -0.032 0.000 1.282 468 A HN 1.601 nan 8.150 nan 0.000 0.421 469 S N -1.371 114.473 115.700 0.241 0.000 2.636 469 S HA 0.533 5.003 4.470 0.000 0.000 0.268 469 S C -1.103 173.588 174.600 0.151 0.000 1.159 469 S CA -0.203 58.131 58.200 0.223 0.000 0.815 469 S CB 1.057 64.422 63.200 0.274 0.000 1.130 469 S HN 1.546 nan 8.310 nan 0.000 0.471 470 V N 2.857 122.729 119.914 -0.069 0.000 2.625 470 V HA 0.370 4.490 4.120 0.000 0.000 0.305 470 V C 1.815 177.719 176.094 -0.317 0.000 1.055 470 V CA 2.116 64.202 62.300 -0.357 0.000 1.209 470 V CB -0.117 31.053 31.823 -1.089 0.000 0.877 470 V HN 1.657 nan 8.190 nan 0.000 0.489 471 G N 4.217 112.821 108.800 -0.326 0.000 2.234 471 G HA2 -0.201 3.759 3.960 0.000 0.000 0.235 471 G HA3 -0.201 3.759 3.960 0.000 0.000 0.235 471 G C 0.911 175.705 174.900 -0.177 0.000 0.997 471 G CA 0.237 45.154 45.100 -0.306 0.000 0.623 471 G HN 1.407 nan 8.290 nan 0.000 0.514 472 A N 0.943 123.779 122.820 0.027 0.000 2.209 472 A HA 0.214 4.534 4.320 0.000 0.000 0.212 472 A C 2.201 179.696 177.584 -0.149 0.000 1.158 472 A CA 1.984 54.095 52.037 0.123 0.000 0.742 472 A CB -0.319 18.939 19.000 0.428 0.000 0.790 472 A HN 0.911 nan 8.150 nan 0.000 0.472 473 Q N 0.839 120.253 119.800 -0.644 0.000 2.364 473 Q HA -0.156 4.184 4.340 0.000 0.000 0.209 473 Q C 1.054 176.701 176.000 -0.587 0.000 0.977 473 Q CA 1.644 56.939 55.803 -0.847 0.000 0.885 473 Q CB -0.484 27.409 28.738 -1.409 0.000 0.941 473 Q HN 0.657 nan 8.270 nan 0.000 0.464 474 K N 0.114 119.990 120.400 -0.874 0.000 2.365 474 K HA 0.015 4.335 4.320 0.000 0.000 0.199 474 K C -0.234 175.605 176.600 -1.269 0.000 1.045 474 K CA 0.456 56.120 56.287 -1.039 0.000 0.962 474 K CB 0.114 31.843 32.500 -1.285 0.000 0.759 474 K HN 0.164 nan 8.250 nan 0.000 0.469 475 F N 1.841 121.394 119.950 -0.661 0.000 2.434 475 F HA 0.280 4.807 4.527 0.000 0.000 0.316 475 F C -2.249 173.276 175.800 -0.459 0.000 1.222 475 F CA -3.555 53.859 58.000 -0.975 0.000 1.207 475 F CB -0.061 38.513 39.000 -0.711 0.000 1.466 475 F HN -0.146 nan 8.300 nan 0.000 0.545 476 P HA 0.303 nan 4.420 nan 0.000 0.276 476 P C -0.192 177.028 177.300 -0.135 0.000 1.261 476 P CA -0.185 62.876 63.100 -0.064 0.000 0.800 476 P CB 2.278 34.019 31.700 0.067 0.000 1.066 477 V N -1.382 118.327 119.914 -0.342 0.000 3.096 477 V HA 0.624 4.744 4.120 0.000 0.000 0.319 477 V C -0.681 175.070 176.094 -0.571 0.000 1.103 477 V CA -0.688 61.355 62.300 -0.429 0.000 1.016 477 V CB 1.083 32.404 31.823 -0.838 0.000 1.090 477 V HN 0.488 nan 8.190 nan 0.000 0.449 478 H N 0.731 119.636 119.070 -0.274 0.000 2.524 478 H HA 0.683 5.239 4.556 0.000 0.000 0.353 478 H C -1.051 174.065 175.328 -0.352 0.000 1.136 478 H CA 0.222 56.138 56.048 -0.220 0.000 1.193 478 H CB 1.657 31.372 29.762 -0.079 0.000 1.558 478 H HN 1.002 nan 8.280 nan 0.000 0.515 479 W N 2.180 123.196 121.300 -0.472 0.000 2.761 479 W HA 0.531 5.191 4.660 0.000 0.000 0.340 479 W C 0.411 176.795 176.519 -0.225 0.000 1.072 479 W CA -1.256 55.737 57.345 -0.586 0.000 1.215 479 W CB 1.096 30.178 29.460 -0.630 0.000 1.420 479 W HN 0.669 nan 8.180 nan 0.000 0.519 480 G N 2.152 110.812 108.800 -0.234 0.000 2.708 480 G HA2 0.309 4.269 3.960 0.000 0.000 0.210 480 G HA3 0.309 4.269 3.960 0.000 0.000 0.210 480 G C 0.783 175.638 174.900 -0.075 0.000 1.141 480 G CA 0.636 45.873 45.100 0.229 0.000 0.788 480 G HN 1.639 nan 8.290 nan 0.000 0.531 481 G N 0.169 108.467 108.800 -0.836 0.000 2.584 481 G HA2 -0.213 3.747 3.960 0.000 0.000 0.229 481 G HA3 -0.213 3.747 3.960 0.000 0.000 0.229 481 G C -0.721 174.100 174.900 -0.130 0.000 1.320 481 G CA -0.167 44.507 45.100 -0.710 0.000 0.891 481 G HN 0.196 nan 8.290 nan 0.000 0.573 482 D N 1.529 121.875 120.400 -0.091 0.000 2.517 482 D HA 0.420 5.060 4.640 0.000 0.000 0.220 482 D C 1.284 177.707 176.300 0.204 0.000 1.158 482 D CA 0.534 54.498 54.000 -0.059 0.000 0.992 482 D CB -0.695 40.059 40.800 -0.077 0.000 1.058 482 D HN 0.867 nan 8.370 nan 0.000 0.516 483 C N 0.686 120.155 119.300 0.281 0.000 2.422 483 C HA 0.575 5.035 4.460 0.000 0.000 0.364 483 C C 0.409 175.621 174.990 0.369 0.000 1.251 483 C CA -1.032 58.214 59.018 0.379 0.000 2.441 483 C CB -0.197 27.849 27.740 0.510 0.000 2.393 483 C HN 0.409 nan 8.230 nan 0.000 0.606 484 Y N -0.288 120.218 120.300 0.343 0.000 2.419 484 Y HA 0.503 5.053 4.550 0.000 0.000 0.328 484 Y C 0.950 177.063 175.900 0.355 0.000 1.162 484 Y CA -0.336 57.936 58.100 0.286 0.000 1.174 484 Y CB 1.320 39.913 38.460 0.220 0.000 1.228 484 Y HN 0.910 nan 8.280 nan 0.000 0.473 485 A N 3.203 126.227 122.820 0.339 0.000 3.077 485 A HA 0.241 4.561 4.320 0.000 0.000 0.255 485 A C -0.678 177.105 177.584 0.332 0.000 1.728 485 A CA -0.129 52.078 52.037 0.283 0.000 1.383 485 A CB -1.772 17.288 19.000 0.099 0.000 1.097 485 A HN 0.762 nan 8.150 nan 0.000 0.634 486 N N -2.609 116.360 118.700 0.449 0.000 2.732 486 N HA 0.384 5.124 4.740 0.000 0.000 0.259 486 N C -0.069 175.605 175.510 0.273 0.000 1.402 486 N CA -0.814 52.379 53.050 0.237 0.000 0.829 486 N CB 0.297 38.913 38.487 0.214 0.000 1.495 486 N HN -0.086 nan 8.380 nan 0.000 0.511 487 Y N -0.039 120.447 120.300 0.310 0.000 2.181 487 Y HA -0.058 4.492 4.550 0.000 0.000 0.288 487 Y C 1.678 177.695 175.900 0.196 0.000 1.146 487 Y CA 1.497 59.772 58.100 0.291 0.000 1.164 487 Y CB -0.462 38.189 38.460 0.319 0.000 0.982 487 Y HN 0.668 nan 8.280 nan 0.000 0.515 488 E N -0.742 119.637 120.200 0.298 0.000 2.085 488 E HA -0.179 4.171 4.350 0.000 0.000 0.194 488 E C 2.481 179.174 176.600 0.154 0.000 0.994 488 E CA 1.535 58.030 56.400 0.158 0.000 0.801 488 E CB -0.543 29.232 29.700 0.125 0.000 0.743 488 E HN 0.170 nan 8.360 nan 0.000 0.453 489 S N -0.576 115.263 115.700 0.232 0.000 2.406 489 S HA -0.051 4.419 4.470 0.000 0.000 0.228 489 S C 1.818 176.559 174.600 0.235 0.000 1.020 489 S CA 0.831 59.203 58.200 0.287 0.000 0.965 489 S CB -0.152 63.318 63.200 0.448 0.000 0.798 489 S HN 0.244 nan 8.310 nan 0.000 0.488 490 M N 0.882 120.509 119.600 0.045 0.000 2.080 490 M HA -0.123 4.357 4.480 0.000 0.000 0.260 490 M C 2.127 178.489 176.300 0.103 0.000 1.068 490 M CA 1.735 56.843 55.300 -0.319 0.000 1.109 490 M CB -0.430 31.848 32.600 -0.536 0.000 1.342 490 M HN 0.451 nan 8.290 nan 0.000 0.405 491 A N 0.634 123.514 122.820 0.100 0.000 1.877 491 A HA -0.242 4.078 4.320 0.000 0.000 0.216 491 A C 1.937 179.525 177.584 0.006 0.000 1.186 491 A CA 1.981 53.925 52.037 -0.156 0.000 0.620 491 A CB -1.088 17.629 19.000 -0.472 0.000 0.822 491 A HN 0.754 nan 8.150 nan 0.000 0.443 492 E N 0.125 120.376 120.200 0.085 0.000 2.118 492 E HA -0.174 4.176 4.350 0.000 0.000 0.195 492 E C 1.929 178.731 176.600 0.337 0.000 0.992 492 E CA 1.659 58.167 56.400 0.180 0.000 0.804 492 E CB -0.393 29.413 29.700 0.178 0.000 0.741 492 E HN 0.452 nan 8.360 nan 0.000 0.458 493 S N 1.106 117.023 115.700 0.362 0.000 2.359 493 S HA -0.154 4.316 4.470 0.000 0.000 0.224 493 S C 1.877 176.748 174.600 0.451 0.000 1.035 493 S CA 1.224 59.754 58.200 0.549 0.000 1.018 493 S CB -0.448 63.096 63.200 0.573 0.000 0.876 493 S HN 0.296 nan 8.310 nan 0.000 0.448 494 L N 2.411 123.819 121.223 0.308 0.000 2.042 494 L HA -0.096 4.244 4.340 0.000 0.000 0.210 494 L C 2.200 179.009 176.870 -0.102 0.000 1.076 494 L CA 1.719 56.627 54.840 0.113 0.000 0.749 494 L CB -0.640 41.423 42.059 0.007 0.000 0.893 494 L HN 0.163 nan 8.230 nan 0.000 0.432 495 R N -0.620 119.861 120.500 -0.033 0.000 2.091 495 R HA -0.132 4.208 4.340 0.000 0.000 0.238 495 R C 2.206 178.376 176.300 -0.216 0.000 1.136 495 R CA 1.241 57.288 56.100 -0.088 0.000 0.959 495 R CB -1.084 29.205 30.300 -0.020 0.000 0.856 495 R HN 0.595 nan 8.270 nan 0.000 0.437 496 G N 0.408 109.093 108.800 -0.191 0.000 2.421 496 G HA2 -0.236 3.724 3.960 0.000 0.000 0.216 496 G HA3 -0.236 3.724 3.960 0.000 0.000 0.216 496 G C 1.526 175.968 174.900 -0.762 0.000 1.171 496 G CA 0.897 45.710 45.100 -0.479 0.000 0.775 496 G HN 0.461 nan 8.290 nan 0.000 0.543 497 G N 0.850 108.910 108.800 -1.233 0.000 2.421 497 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 497 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 497 G C 1.828 176.154 174.900 -0.957 0.000 1.171 497 G CA 0.772 44.601 45.100 -2.118 0.000 0.775 497 G HN 0.415 nan 8.290 nan 0.000 0.543 498 L N 0.672 121.543 121.223 -0.587 0.000 2.012 498 L HA -0.113 4.227 4.340 0.000 0.000 0.210 498 L C 3.220 179.914 176.870 -0.292 0.000 1.073 498 L CA 1.351 55.993 54.840 -0.331 0.000 0.748 498 L CB -0.465 41.479 42.059 -0.190 0.000 0.891 498 L HN 0.185 nan 8.230 nan 0.000 0.431 499 S N -0.165 115.341 115.700 -0.322 0.000 2.368 499 S HA -0.172 4.298 4.470 0.000 0.000 0.225 499 S C 1.944 176.385 174.600 -0.265 0.000 1.030 499 S CA 1.253 59.297 58.200 -0.260 0.000 0.999 499 S CB -0.242 62.774 63.200 -0.306 0.000 0.844 499 S HN 0.344 nan 8.310 nan 0.000 0.459 500 I N 1.130 121.469 120.570 -0.385 0.000 2.546 500 I HA -0.091 4.079 4.170 0.000 0.000 0.255 500 I C 2.092 178.132 176.117 -0.129 0.000 1.163 500 I CA 0.931 62.035 61.300 -0.327 0.000 1.457 500 I CB -0.410 37.297 38.000 -0.489 0.000 1.092 500 I HN 0.380 nan 8.210 nan 0.000 0.434 501 G N 0.465 109.160 108.800 -0.175 0.000 2.494 501 G HA2 -0.105 3.855 3.960 0.000 0.000 0.216 501 G HA3 -0.105 3.855 3.960 0.000 0.000 0.216 501 G C 1.514 176.364 174.900 -0.083 0.000 1.140 501 G CA 0.019 45.059 45.100 -0.100 0.000 0.801 501 G HN 0.350 nan 8.290 nan 0.000 0.536 502 L N 0.930 122.096 121.223 -0.095 0.000 2.551 502 L HA 0.102 4.442 4.340 0.000 0.000 0.228 502 L C 1.993 178.883 176.870 0.032 0.000 1.153 502 L CA 0.430 55.235 54.840 -0.058 0.000 0.851 502 L CB 0.336 42.351 42.059 -0.073 0.000 0.959 502 L HN 0.079 nan 8.230 nan 0.000 0.451 503 S N -0.861 114.854 115.700 0.024 0.000 2.568 503 S HA 0.345 4.815 4.470 0.000 0.000 0.232 503 S C 1.237 175.833 174.600 -0.006 0.000 0.975 503 S CA 0.518 58.763 58.200 0.074 0.000 0.949 503 S CB 0.896 64.150 63.200 0.089 0.000 0.829 503 S HN 0.556 nan 8.310 nan 0.000 0.479 504 G N 1.026 109.792 108.800 -0.058 0.000 2.184 504 G HA2 -0.195 3.766 3.960 0.000 0.000 0.206 504 G HA3 -0.195 3.766 3.960 0.000 0.000 0.206 504 G C -0.114 174.607 174.900 -0.298 0.000 0.995 504 G CA -0.706 44.299 45.100 -0.157 0.000 0.651 504 G HN 0.427 nan 8.290 nan 0.000 0.511 505 F N 0.918 120.761 119.950 -0.179 0.000 2.408 505 F HA 0.573 5.100 4.527 0.000 0.000 0.344 505 F C 1.587 177.268 175.800 -0.199 0.000 1.112 505 F CA 0.263 58.155 58.000 -0.180 0.000 1.096 505 F CB 1.999 40.877 39.000 -0.204 0.000 1.129 505 F HN 0.002 nan 8.300 nan 0.000 0.486 506 G N 2.469 111.187 108.800 -0.137 0.000 2.603 506 G HA2 0.096 4.056 3.960 0.000 0.000 0.214 506 G HA3 0.096 4.056 3.960 0.000 0.000 0.214 506 G C -0.304 174.106 174.900 -0.816 0.000 1.140 506 G CA 0.366 45.120 45.100 -0.577 0.000 0.800 506 G HN 0.363 nan 8.290 nan 0.000 0.533 507 F N -1.932 118.108 119.950 0.150 0.000 2.581 507 F HA 0.627 5.154 4.527 0.000 0.000 0.311 507 F C -1.174 174.738 175.800 0.186 0.000 1.113 507 F CA -1.525 56.553 58.000 0.131 0.000 0.935 507 F CB 1.974 40.940 39.000 -0.056 0.000 1.232 507 F HN 0.042 nan 8.300 nan 0.000 0.445 508 W N 2.523 123.891 121.300 0.115 0.000 3.573 508 W HA 0.650 5.310 4.660 0.000 0.000 0.306 508 W C -1.393 175.148 176.519 0.036 0.000 1.227 508 W CA -0.588 56.772 57.345 0.026 0.000 1.212 508 W CB 1.939 31.415 29.460 0.026 0.000 1.331 508 W HN 0.549 nan 8.180 nan 0.000 0.524 509 S N 2.348 117.513 115.700 -0.891 0.000 2.806 509 S HA 0.882 5.352 4.470 0.000 0.000 0.315 509 S C -1.324 172.589 174.600 -1.146 0.000 1.127 509 S CA -0.325 57.377 58.200 -0.831 0.000 0.918 509 S CB 1.075 63.883 63.200 -0.654 0.000 1.240 509 S HN 0.726 nan 8.310 nan 0.000 0.552 510 H N -1.169 117.512 119.070 -0.649 0.000 3.037 510 H HA 0.445 5.001 4.556 0.000 0.000 0.336 510 H C -2.086 173.218 175.328 -0.041 0.000 1.323 510 H CA -1.020 54.855 56.048 -0.289 0.000 1.159 510 H CB -0.063 29.537 29.762 -0.270 0.000 1.882 510 H HN 0.282 nan 8.280 nan 0.000 0.535 511 D N 1.950 122.457 120.400 0.178 0.000 2.342 511 D HA 0.154 4.794 4.640 0.000 0.000 0.260 511 D C 0.307 176.429 176.300 -0.297 0.000 1.278 511 D CA 0.093 54.092 54.000 -0.003 0.000 0.910 511 D CB 0.422 41.310 40.800 0.146 0.000 1.079 511 D HN 0.388 nan 8.370 nan 0.000 0.496 512 I N 1.294 121.627 120.570 -0.395 0.000 2.618 512 I HA 0.109 4.279 4.170 0.000 0.000 0.284 512 I C 1.700 177.305 176.117 -0.854 0.000 1.146 512 I CA 0.339 61.235 61.300 -0.673 0.000 1.425 512 I CB 0.568 38.343 38.000 -0.374 0.000 1.383 512 I HN 0.625 nan 8.210 nan 0.000 0.562 513 G N 3.918 111.922 108.800 -1.327 0.000 2.179 513 G HA2 -0.067 3.893 3.960 0.000 0.000 0.260 513 G HA3 -0.067 3.893 3.960 0.000 0.000 0.260 513 G C 0.615 175.004 174.900 -0.851 0.000 0.977 513 G CA 0.064 44.709 45.100 -0.758 0.000 0.641 513 G HN 1.622 nan 8.290 nan 0.000 0.533 514 G N -2.011 105.902 108.800 -1.480 0.000 2.755 514 G HA2 0.123 4.083 3.960 0.000 0.000 0.686 514 G HA3 0.123 4.083 3.960 0.000 0.000 0.686 514 G C 0.240 175.024 174.900 -0.193 0.000 1.427 514 G CA 0.190 44.886 45.100 -0.673 0.000 0.873 514 G HN 1.485 nan 8.290 nan 0.000 0.580 515 F N 0.907 120.768 119.950 -0.150 0.000 2.138 515 F HA 0.333 4.860 4.527 0.000 0.000 0.283 515 F C 1.449 177.160 175.800 -0.149 0.000 1.100 515 F CA 1.228 59.161 58.000 -0.113 0.000 1.189 515 F CB 0.115 39.125 39.000 0.017 0.000 1.060 515 F HN 0.485 nan 8.300 nan 0.000 0.492 516 E N 2.339 122.350 120.200 -0.314 0.000 2.313 516 E HA 0.195 4.545 4.350 0.000 0.000 0.276 516 E C -0.766 175.661 176.600 -0.289 0.000 1.031 516 E CA -0.040 56.043 56.400 -0.528 0.000 0.857 516 E CB 0.597 29.772 29.700 -0.876 0.000 1.040 516 E HN 0.516 nan 8.360 nan 0.000 0.408 517 N N 0.323 118.916 118.700 -0.179 0.000 5.702 517 N HA -0.117 4.623 4.740 0.000 0.000 0.387 517 N C -1.197 174.285 175.510 -0.047 0.000 1.421 517 N CA 0.233 53.261 53.050 -0.037 0.000 2.374 517 N CB -0.284 38.269 38.487 0.109 0.000 0.610 517 N HN 0.335 nan 8.380 nan 0.000 0.619 518 T N 1.031 115.575 114.554 -0.016 0.000 2.743 518 T HA 0.565 4.915 4.350 0.000 0.000 0.292 518 T C 0.287 175.030 174.700 0.072 0.000 0.972 518 T CA -0.193 61.907 62.100 0.002 0.000 0.967 518 T CB 1.119 69.942 68.868 -0.075 0.000 0.926 518 T HN 0.614 nan 8.240 nan 0.000 0.459 519 A N 6.284 129.199 122.820 0.158 0.000 2.498 519 A HA 0.495 4.815 4.320 0.000 0.000 0.239 519 A C -1.899 175.771 177.584 0.144 0.000 1.068 519 A CA -1.103 51.018 52.037 0.140 0.000 0.766 519 A CB -0.338 18.741 19.000 0.132 0.000 1.003 519 A HN 0.514 nan 8.150 nan 0.000 0.497 520 P HA 0.151 nan 4.420 nan 0.000 0.270 520 P C 0.947 178.227 177.300 -0.033 0.000 1.223 520 P CA 0.542 63.611 63.100 -0.052 0.000 0.785 520 P CB 0.587 32.150 31.700 -0.229 0.000 0.923 521 A N 2.532 125.392 122.820 0.067 0.000 1.903 521 A HA -0.284 4.036 4.320 0.000 0.000 0.219 521 A C 2.059 179.643 177.584 -0.001 0.000 1.191 521 A CA 2.583 54.671 52.037 0.084 0.000 0.638 521 A CB -2.131 16.912 19.000 0.071 0.000 0.823 521 A HN 0.839 nan 8.150 nan 0.000 0.451 522 H N -1.726 117.396 119.070 0.086 0.000 2.353 522 H HA -0.019 4.537 4.556 0.000 0.000 0.300 522 H C 1.636 177.178 175.328 0.357 0.000 1.090 522 H CA 1.474 57.644 56.048 0.203 0.000 1.327 522 H CB -0.949 29.120 29.762 0.512 0.000 1.383 522 H HN 0.120 nan 8.280 nan 0.000 0.508 523 V N 0.612 120.460 119.914 -0.111 0.000 2.343 523 V HA -0.279 3.841 4.120 0.000 0.000 0.247 523 V C 2.334 178.553 176.094 0.209 0.000 1.051 523 V CA 2.049 64.331 62.300 -0.029 0.000 1.036 523 V CB -0.892 30.717 31.823 -0.357 0.000 0.654 523 V HN 0.488 nan 8.190 nan 0.000 0.451 524 Y N 1.173 121.428 120.300 -0.074 0.000 2.128 524 Y HA -0.304 4.246 4.550 0.000 0.000 0.284 524 Y C 2.517 178.396 175.900 -0.034 0.000 1.154 524 Y CA 2.202 60.170 58.100 -0.220 0.000 1.149 524 Y CB -0.159 37.824 38.460 -0.796 0.000 0.976 524 Y HN 0.141 nan 8.280 nan 0.000 0.505 525 K N -0.318 120.147 120.400 0.107 0.000 2.026 525 K HA -0.157 4.163 4.320 0.000 0.000 0.208 525 K C 2.138 178.881 176.600 0.239 0.000 1.048 525 K CA 1.535 57.898 56.287 0.127 0.000 0.929 525 K CB -0.079 32.424 32.500 0.004 0.000 0.713 525 K HN 0.116 nan 8.250 nan 0.000 0.439 526 R N -0.184 120.546 120.500 0.383 0.000 2.096 526 R HA -0.136 4.204 4.340 0.000 0.000 0.235 526 R C 1.986 178.435 176.300 0.249 0.000 1.127 526 R CA 0.976 57.271 56.100 0.325 0.000 0.968 526 R CB -0.650 29.890 30.300 0.399 0.000 0.861 526 R HN 0.451 nan 8.270 nan 0.000 0.440 527 W N 0.988 122.347 121.300 0.098 0.000 2.388 527 W HA -0.133 4.527 4.660 0.000 0.000 0.294 527 W C 1.960 178.470 176.519 -0.015 0.000 1.212 527 W CA 0.104 57.525 57.345 0.127 0.000 1.271 527 W CB -0.605 28.899 29.460 0.073 0.000 1.126 527 W HN 0.037 nan 8.180 nan 0.000 0.535 528 C N 0.470 119.801 119.300 0.051 0.000 2.413 528 C HA -0.191 4.269 4.460 0.000 0.000 0.276 528 C C 3.099 178.044 174.990 -0.076 0.000 1.248 528 C CA 1.951 60.913 59.018 -0.093 0.000 1.742 528 C CB -1.564 26.070 27.740 -0.178 0.000 2.017 528 C HN 0.377 nan 8.230 nan 0.000 0.481 529 A N -0.206 122.472 122.820 -0.237 0.000 1.902 529 A HA -0.176 4.144 4.320 0.000 0.000 0.217 529 A C 1.963 179.444 177.584 -0.171 0.000 1.181 529 A CA 1.709 53.292 52.037 -0.757 0.000 0.623 529 A CB -0.804 17.648 19.000 -0.914 0.000 0.818 529 A HN 0.532 nan 8.150 nan 0.000 0.443 530 F N 1.437 121.339 119.950 -0.080 0.000 2.102 530 F HA -0.025 4.502 4.527 0.000 0.000 0.298 530 F C 2.272 178.254 175.800 0.304 0.000 1.105 530 F CA 1.319 59.392 58.000 0.122 0.000 1.239 530 F CB -1.134 37.908 39.000 0.069 0.000 0.991 530 F HN 0.176 nan 8.300 nan 0.000 0.474 531 G N 0.821 109.704 108.800 0.138 0.000 2.442 531 G HA2 -0.194 3.766 3.960 0.000 0.000 0.219 531 G HA3 -0.194 3.766 3.960 0.000 0.000 0.219 531 G C 1.563 176.458 174.900 -0.008 0.000 1.141 531 G CA 0.751 45.777 45.100 -0.123 0.000 0.763 531 G HN 0.364 nan 8.290 nan 0.000 0.554 532 L N -0.120 121.150 121.223 0.080 0.000 2.509 532 L HA 0.276 4.616 4.340 0.000 0.000 0.222 532 L C 1.282 178.278 176.870 0.209 0.000 1.123 532 L CA 0.544 55.471 54.840 0.145 0.000 0.856 532 L CB -0.107 42.075 42.059 0.205 0.000 0.985 532 L HN 0.138 nan 8.230 nan 0.000 0.456 533 L N -1.003 120.370 121.223 0.249 0.000 2.984 533 L HA 0.276 4.616 4.340 0.000 0.000 0.246 533 L C 0.473 177.618 176.870 0.458 0.000 1.268 533 L CA 0.271 55.315 54.840 0.341 0.000 1.054 533 L CB -0.339 41.920 42.059 0.334 0.000 1.393 533 L HN -0.011 nan 8.230 nan 0.000 0.532 534 S N -1.687 114.220 115.700 0.345 0.000 2.648 534 S HA 0.350 4.820 4.470 0.000 0.000 0.305 534 S C 1.225 175.994 174.600 0.281 0.000 1.094 534 S CA 0.028 58.436 58.200 0.346 0.000 0.983 534 S CB 2.011 65.378 63.200 0.278 0.000 1.101 534 S HN 0.381 nan 8.310 nan 0.000 0.514 535 S N 0.754 116.653 115.700 0.332 0.000 2.370 535 S HA -0.126 4.344 4.470 0.000 0.000 0.226 535 S C 0.148 174.743 174.600 -0.009 0.000 1.033 535 S CA 1.287 59.710 58.200 0.372 0.000 1.011 535 S CB -0.480 63.105 63.200 0.642 0.000 0.852 535 S HN 0.756 nan 8.310 nan 0.000 0.457 536 H N 0.169 119.224 119.070 -0.025 0.000 2.667 536 H HA 0.666 5.222 4.556 0.000 0.000 0.353 536 H C -1.175 174.026 175.328 -0.212 0.000 1.072 536 H CA -0.510 55.432 56.048 -0.177 0.000 1.214 536 H CB 2.015 31.558 29.762 -0.365 0.000 1.600 536 H HN 0.126 nan 8.280 nan 0.000 0.527 537 S N 3.306 118.958 115.700 -0.080 0.000 2.566 537 S HA 0.459 4.929 4.470 0.000 0.000 0.324 537 S C -0.310 174.243 174.600 -0.078 0.000 1.081 537 S CA -0.846 57.297 58.200 -0.095 0.000 1.105 537 S CB 0.877 64.102 63.200 0.041 0.000 0.981 537 S HN 0.525 nan 8.310 nan 0.000 0.464 538 R N 3.176 123.556 120.500 -0.200 0.000 2.532 538 R HA 0.467 4.807 4.340 0.000 0.000 0.297 538 R C -1.471 174.733 176.300 -0.160 0.000 0.984 538 R CA -0.697 55.293 56.100 -0.183 0.000 0.884 538 R CB 0.799 30.857 30.300 -0.403 0.000 1.182 538 R HN 0.573 nan 8.270 nan 0.000 0.442 539 L N 5.025 126.200 121.223 -0.079 0.000 2.342 539 L HA 0.314 4.654 4.340 0.000 0.000 0.285 539 L C -0.469 176.399 176.870 -0.004 0.000 1.095 539 L CA -0.121 54.681 54.840 -0.062 0.000 0.843 539 L CB 0.357 42.403 42.059 -0.022 0.000 1.201 539 L HN 0.635 nan 8.230 nan 0.000 0.445 540 H N 2.432 121.429 119.070 -0.122 0.000 3.038 540 H HA 0.726 5.282 4.556 0.000 0.000 0.362 540 H C -0.765 174.588 175.328 0.042 0.000 1.167 540 H CA -0.377 55.639 56.048 -0.053 0.000 1.197 540 H CB 1.965 31.648 29.762 -0.132 0.000 1.840 540 H HN 0.514 nan 8.280 nan 0.000 0.540 541 G N 1.207 109.667 108.800 -0.566 0.000 2.672 541 G HA2 0.359 4.319 3.960 0.000 0.000 0.292 541 G HA3 0.359 4.319 3.960 0.000 0.000 0.292 541 G C -0.144 174.408 174.900 -0.581 0.000 1.375 541 G CA -0.074 44.765 45.100 -0.436 0.000 0.890 541 G HN 0.632 nan 8.290 nan 0.000 0.476 542 S N -0.515 114.695 115.700 -0.817 0.000 2.327 542 S HA 0.050 4.520 4.470 0.000 0.000 0.213 542 S C 1.725 176.154 174.600 -0.285 0.000 1.032 542 S CA 1.384 59.094 58.200 -0.816 0.000 0.960 542 S CB -0.174 62.188 63.200 -1.396 0.000 0.900 542 S HN 0.488 nan 8.310 nan 0.000 0.469 543 K N 0.558 120.767 120.400 -0.317 0.000 2.402 543 K HA 0.258 4.578 4.320 0.000 0.000 0.203 543 K C -0.143 176.277 176.600 -0.300 0.000 1.077 543 K CA -0.011 56.124 56.287 -0.253 0.000 1.051 543 K CB 1.177 33.556 32.500 -0.202 0.000 0.907 543 K HN 0.411 nan 8.250 nan 0.000 0.554 544 S N -0.577 114.934 115.700 -0.316 0.000 2.632 544 S HA 0.488 4.958 4.470 0.000 0.000 0.289 544 S C -0.713 173.692 174.600 -0.325 0.000 1.115 544 S CA -0.977 57.006 58.200 -0.362 0.000 0.889 544 S CB 0.697 63.743 63.200 -0.257 0.000 1.116 544 S HN -0.029 nan 8.310 nan 0.000 0.486 545 Y N 0.552 120.771 120.300 -0.135 0.000 2.300 545 Y HA 0.499 5.049 4.550 0.000 0.000 0.328 545 Y C 1.757 177.524 175.900 -0.223 0.000 1.270 545 Y CA -0.908 57.083 58.100 -0.181 0.000 1.352 545 Y CB 0.580 38.888 38.460 -0.255 0.000 1.286 545 Y HN 0.550 nan 8.280 nan 0.000 0.536 546 R N 0.674 121.142 120.500 -0.054 0.000 2.472 546 R HA 0.162 4.502 4.340 0.000 0.000 0.279 546 R C -0.702 175.534 176.300 -0.106 0.000 0.953 546 R CA -0.093 56.017 56.100 0.016 0.000 1.088 546 R CB -0.329 29.993 30.300 0.036 0.000 1.197 546 R HN 0.536 nan 8.270 nan 0.000 0.536 547 V N 0.566 120.176 119.914 -0.507 0.000 2.617 547 V HA 0.086 4.206 4.120 0.000 0.000 0.304 547 V C -1.433 174.245 176.094 -0.693 0.000 1.040 547 V CA -1.075 60.688 62.300 -0.895 0.000 1.149 547 V CB 0.595 31.265 31.823 -1.920 0.000 0.914 547 V HN -0.058 nan 8.190 nan 0.000 0.487 548 P HA -0.082 nan 4.420 nan 0.000 0.219 548 P C 1.264 178.597 177.300 0.055 0.000 1.146 548 P CA 1.786 64.891 63.100 0.008 0.000 0.808 548 P CB -0.158 31.705 31.700 0.271 0.000 0.779 549 W N -0.461 120.844 121.300 0.008 0.000 2.825 549 W HA 0.338 4.998 4.660 0.000 0.000 0.243 549 W C 1.625 178.094 176.519 -0.083 0.000 1.293 549 W CA 0.432 57.765 57.345 -0.019 0.000 1.403 549 W CB -1.613 27.836 29.460 -0.019 0.000 1.134 549 W HN -0.138 nan 8.180 nan 0.000 0.666 550 A N -0.346 122.262 122.820 -0.354 0.000 2.168 550 A HA 0.024 4.344 4.320 0.000 0.000 0.215 550 A C 1.178 178.377 177.584 -0.641 0.000 1.152 550 A CA 0.954 52.704 52.037 -0.479 0.000 0.716 550 A CB -0.653 17.959 19.000 -0.647 0.000 0.794 550 A HN 0.502 nan 8.150 nan 0.000 0.465 551 Y N -0.064 120.070 120.300 -0.277 0.000 2.488 551 Y HA 0.308 4.858 4.550 0.000 0.000 0.262 551 Y C 0.548 176.386 175.900 -0.103 0.000 1.108 551 Y CA 0.276 58.227 58.100 -0.249 0.000 1.299 551 Y CB 0.301 38.485 38.460 -0.461 0.000 1.231 551 Y HN 0.468 nan 8.280 nan 0.000 0.507 552 D N -2.459 118.009 120.400 0.114 0.000 2.738 552 D HA 0.063 4.703 4.640 0.000 0.000 0.308 552 D C -0.396 175.980 176.300 0.126 0.000 1.311 552 D CA -0.390 53.669 54.000 0.097 0.000 0.799 552 D CB 0.156 41.000 40.800 0.073 0.000 1.332 552 D HN 0.048 nan 8.370 nan 0.000 0.441 553 D N -0.114 120.352 120.400 0.109 0.000 2.144 553 D HA -0.152 4.488 4.640 0.000 0.000 0.200 553 D C 1.305 177.678 176.300 0.122 0.000 0.978 553 D CA 1.025 55.093 54.000 0.114 0.000 0.833 553 D CB 0.325 41.176 40.800 0.086 0.000 0.961 553 D HN 0.612 nan 8.370 nan 0.000 0.470 554 E N 0.910 121.173 120.200 0.105 0.000 2.118 554 E HA -0.146 4.204 4.350 0.000 0.000 0.195 554 E C 2.024 178.704 176.600 0.134 0.000 0.992 554 E CA 0.839 57.304 56.400 0.107 0.000 0.804 554 E CB 0.211 29.956 29.700 0.075 0.000 0.741 554 E HN 0.005 nan 8.360 nan 0.000 0.458 555 S N -0.122 115.663 115.700 0.142 0.000 2.368 555 S HA -0.192 4.278 4.470 0.000 0.000 0.225 555 S C 2.100 176.862 174.600 0.270 0.000 1.030 555 S CA 1.156 59.492 58.200 0.227 0.000 0.999 555 S CB -0.351 62.987 63.200 0.231 0.000 0.844 555 S HN 0.475 nan 8.310 nan 0.000 0.459 556 C N 2.002 121.447 119.300 0.243 0.000 2.425 556 C HA -0.079 4.381 4.460 0.000 0.000 0.277 556 C C 2.376 177.491 174.990 0.209 0.000 1.280 556 C CA 0.366 59.533 59.018 0.247 0.000 1.744 556 C CB -1.284 26.599 27.740 0.237 0.000 1.989 556 C HN 0.542 nan 8.230 nan 0.000 0.491 557 D N 0.776 121.286 120.400 0.183 0.000 2.178 557 D HA -0.080 4.560 4.640 0.000 0.000 0.202 557 D C 2.177 178.605 176.300 0.213 0.000 0.974 557 D CA 0.992 55.093 54.000 0.169 0.000 0.841 557 D CB -0.367 40.515 40.800 0.137 0.000 0.953 557 D HN 0.328 nan 8.370 nan 0.000 0.478 558 V N 0.557 120.623 119.914 0.254 0.000 2.323 558 V HA -0.167 3.954 4.120 0.000 0.000 0.244 558 V C 2.670 179.010 176.094 0.410 0.000 1.041 558 V CA 0.843 63.361 62.300 0.364 0.000 1.025 558 V CB -0.467 31.577 31.823 0.369 0.000 0.656 558 V HN 0.041 nan 8.190 nan 0.000 0.451 559 V N -0.022 120.076 119.914 0.306 0.000 2.287 559 V HA -0.300 3.820 4.120 0.000 0.000 0.248 559 V C 2.606 178.846 176.094 0.243 0.000 1.053 559 V CA 2.505 64.964 62.300 0.265 0.000 1.027 559 V CB -0.729 31.229 31.823 0.226 0.000 0.646 559 V HN 0.465 nan 8.190 nan 0.000 0.447 560 R N -0.934 119.690 120.500 0.206 0.000 2.082 560 R HA -0.227 4.113 4.340 0.000 0.000 0.234 560 R C 2.296 178.656 176.300 0.101 0.000 1.136 560 R CA 2.389 58.576 56.100 0.144 0.000 0.935 560 R CB -0.519 29.857 30.300 0.125 0.000 0.842 560 R HN 0.475 nan 8.270 nan 0.000 0.430 561 F N 0.234 120.148 119.950 -0.060 0.000 2.091 561 F HA -0.259 4.268 4.527 0.000 0.000 0.299 561 F C 1.720 177.311 175.800 -0.348 0.000 1.103 561 F CA 1.775 59.610 58.000 -0.276 0.000 1.228 561 F CB -0.284 38.442 39.000 -0.456 0.000 0.984 561 F HN 0.003 nan 8.300 nan 0.000 0.477 562 F N -0.185 119.864 119.950 0.165 0.000 2.293 562 F HA -0.095 4.432 4.527 0.000 0.000 0.297 562 F C 2.481 178.286 175.800 0.009 0.000 1.089 562 F CA 1.518 59.557 58.000 0.065 0.000 1.377 562 F CB -1.296 37.814 39.000 0.182 0.000 1.051 562 F HN -0.150 nan 8.300 nan 0.000 0.511 563 T N -0.365 114.310 114.554 0.201 0.000 2.674 563 T HA -0.224 4.126 4.350 0.000 0.000 0.265 563 T C 1.929 176.680 174.700 0.085 0.000 1.039 563 T CA 1.554 63.757 62.100 0.172 0.000 1.150 563 T CB -0.401 68.579 68.868 0.186 0.000 0.864 563 T HN 0.276 nan 8.240 nan 0.000 0.427 564 Q N 0.319 120.108 119.800 -0.019 0.000 2.062 564 Q HA -0.157 4.183 4.340 0.000 0.000 0.209 564 Q C 2.372 178.270 176.000 -0.170 0.000 0.996 564 Q CA 1.503 57.239 55.803 -0.111 0.000 0.859 564 Q CB -0.492 28.122 28.738 -0.206 0.000 0.920 564 Q HN 0.316 nan 8.270 nan 0.000 0.415 565 L N 1.206 122.238 121.223 -0.318 0.000 2.012 565 L HA -0.223 4.117 4.340 0.000 0.000 0.210 565 L C 2.243 179.074 176.870 -0.065 0.000 1.073 565 L CA 1.923 56.578 54.840 -0.308 0.000 0.748 565 L CB -0.390 41.387 42.059 -0.469 0.000 0.891 565 L HN 0.060 nan 8.230 nan 0.000 0.431 566 K N -1.267 119.155 120.400 0.037 0.000 2.032 566 K HA -0.205 4.115 4.320 0.000 0.000 0.209 566 K C 2.130 178.791 176.600 0.101 0.000 1.048 566 K CA 1.925 58.279 56.287 0.111 0.000 0.927 566 K CB -0.355 32.243 32.500 0.163 0.000 0.712 566 K HN 0.523 nan 8.250 nan 0.000 0.441 567 C N 0.551 119.910 119.300 0.099 0.000 2.429 567 C HA -0.022 4.438 4.460 0.000 0.000 0.277 567 C C 2.548 177.660 174.990 0.202 0.000 1.262 567 C CA 0.527 59.640 59.018 0.157 0.000 1.733 567 C CB -0.864 26.952 27.740 0.127 0.000 2.010 567 C HN 0.486 nan 8.230 nan 0.000 0.483 568 R N 0.247 120.801 120.500 0.089 0.000 2.120 568 R HA -0.040 4.300 4.340 0.000 0.000 0.234 568 R C 1.960 178.318 176.300 0.097 0.000 1.123 568 R CA 1.147 57.302 56.100 0.091 0.000 0.975 568 R CB -0.299 29.993 30.300 -0.014 0.000 0.866 568 R HN 0.584 nan 8.270 nan 0.000 0.446 569 M N -0.197 119.444 119.600 0.068 0.000 2.595 569 M HA -0.006 4.474 4.480 0.000 0.000 0.248 569 M C 1.705 178.009 176.300 0.007 0.000 1.119 569 M CA 0.486 55.831 55.300 0.075 0.000 1.079 569 M CB 0.109 32.781 32.600 0.121 0.000 1.472 569 M HN 0.039 nan 8.290 nan 0.000 0.501 570 M N 0.292 119.839 119.600 -0.088 0.000 2.144 570 M HA -0.112 4.368 4.480 0.000 0.000 0.260 570 M C -0.695 175.109 176.300 -0.827 0.000 1.067 570 M CA 1.906 56.966 55.300 -0.401 0.000 1.095 570 M CB -2.206 30.192 32.600 -0.337 0.000 1.365 570 M HN -0.007 nan 8.290 nan 0.000 0.406 571 P HA -0.193 nan 4.420 nan 0.000 0.215 571 P C 1.593 178.709 177.300 -0.306 0.000 1.153 571 P CA 1.304 64.018 63.100 -0.644 0.000 0.853 571 P CB -0.376 31.192 31.700 -0.220 0.000 0.788 572 Y N 0.099 120.256 120.300 -0.238 0.000 2.133 572 Y HA -0.150 4.400 4.550 0.000 0.000 0.287 572 Y C 2.011 177.813 175.900 -0.163 0.000 1.134 572 Y CA 1.320 59.341 58.100 -0.131 0.000 1.133 572 Y CB -1.174 37.254 38.460 -0.053 0.000 0.987 572 Y HN -0.267 nan 8.280 nan 0.000 0.502 573 L N -0.372 120.664 121.223 -0.311 0.000 2.042 573 L HA -0.253 4.087 4.340 0.000 0.000 0.210 573 L C 2.272 178.879 176.870 -0.439 0.000 1.076 573 L CA 1.811 56.427 54.840 -0.373 0.000 0.749 573 L CB -1.810 40.157 42.059 -0.154 0.000 0.893 573 L HN 0.405 nan 8.230 nan 0.000 0.432 574 Y N -0.075 119.802 120.300 -0.706 0.000 2.314 574 Y HA -0.207 4.343 4.550 0.000 0.000 0.293 574 Y C 2.740 178.393 175.900 -0.411 0.000 1.129 574 Y CA 1.250 58.925 58.100 -0.709 0.000 1.201 574 Y CB -0.073 37.773 38.460 -1.024 0.000 0.999 574 Y HN 0.080 nan 8.280 nan 0.000 0.541 575 R N 0.872 121.165 120.500 -0.345 0.000 2.096 575 R HA -0.112 4.228 4.340 0.000 0.000 0.235 575 R C 1.787 177.916 176.300 -0.285 0.000 1.127 575 R CA 1.821 57.765 56.100 -0.259 0.000 0.968 575 R CB -0.394 29.803 30.300 -0.172 0.000 0.861 575 R HN 0.217 nan 8.270 nan 0.000 0.440 576 E N 0.003 119.980 120.200 -0.371 0.000 2.152 576 E HA -0.030 4.320 4.350 0.000 0.000 0.192 576 E C 1.818 178.310 176.600 -0.179 0.000 0.983 576 E CA 1.157 57.378 56.400 -0.297 0.000 0.818 576 E CB -0.303 29.164 29.700 -0.388 0.000 0.758 576 E HN 0.432 nan 8.360 nan 0.000 0.467 577 A N 1.549 124.274 122.820 -0.158 0.000 1.930 577 A HA -0.036 4.284 4.320 0.000 0.000 0.217 577 A C 2.409 179.989 177.584 -0.007 0.000 1.175 577 A CA 1.752 53.838 52.037 0.083 0.000 0.627 577 A CB -0.468 18.592 19.000 0.100 0.000 0.815 577 A HN 0.251 nan 8.150 nan 0.000 0.443 578 A N -0.421 122.266 122.820 -0.222 0.000 1.972 578 A HA -0.142 4.178 4.320 0.000 0.000 0.219 578 A C 2.200 179.732 177.584 -0.087 0.000 1.169 578 A CA 1.500 53.446 52.037 -0.153 0.000 0.635 578 A CB -0.435 18.464 19.000 -0.168 0.000 0.810 578 A HN 0.528 nan 8.150 nan 0.000 0.446 579 R N -0.659 119.777 120.500 -0.106 0.000 2.120 579 R HA -0.078 4.262 4.340 0.000 0.000 0.234 579 R C 2.428 178.666 176.300 -0.104 0.000 1.123 579 R CA 1.084 57.124 56.100 -0.100 0.000 0.975 579 R CB -0.357 29.874 30.300 -0.115 0.000 0.866 579 R HN 0.534 nan 8.270 nan 0.000 0.446 580 A N 1.234 123.983 122.820 -0.118 0.000 1.877 580 A HA -0.229 4.091 4.320 0.000 0.000 0.216 580 A C 1.926 179.459 177.584 -0.085 0.000 1.186 580 A CA 1.665 53.594 52.037 -0.179 0.000 0.620 580 A CB -0.830 17.907 19.000 -0.439 0.000 0.822 580 A HN 0.463 nan 8.150 nan 0.000 0.443 581 N N 0.123 118.831 118.700 0.013 0.000 2.166 581 N HA -0.116 4.624 4.740 0.000 0.000 0.186 581 N C 1.729 177.216 175.510 -0.039 0.000 1.019 581 N CA 1.443 54.502 53.050 0.015 0.000 0.856 581 N CB -0.151 38.367 38.487 0.051 0.000 0.993 581 N HN 0.390 nan 8.380 nan 0.000 0.426 582 A N 0.115 122.905 122.820 -0.051 0.000 2.044 582 A HA 0.186 4.506 4.320 0.000 0.000 0.213 582 A C 1.977 179.519 177.584 -0.070 0.000 1.169 582 A CA 0.303 52.306 52.037 -0.056 0.000 0.724 582 A CB 0.218 19.188 19.000 -0.049 0.000 0.840 582 A HN 0.227 nan 8.150 nan 0.000 0.463 583 R N -1.988 118.463 120.500 -0.082 0.000 2.531 583 R HA 0.217 4.557 4.340 0.000 0.000 0.316 583 R C 0.901 177.140 176.300 -0.102 0.000 0.955 583 R CA 0.515 56.563 56.100 -0.086 0.000 1.120 583 R CB 0.634 30.885 30.300 -0.080 0.000 1.361 583 R HN 0.593 nan 8.270 nan 0.000 0.534 584 G N 1.959 110.686 108.800 -0.121 0.000 2.225 584 G HA2 -0.280 3.680 3.960 0.000 0.000 0.267 584 G HA3 -0.280 3.680 3.960 0.000 0.000 0.267 584 G C 0.067 174.877 174.900 -0.150 0.000 1.024 584 G CA 0.856 45.867 45.100 -0.148 0.000 0.784 584 G HN 0.246 nan 8.290 nan 0.000 0.507 585 T N 3.227 117.696 114.554 -0.143 0.000 2.737 585 T HA 0.474 4.824 4.350 0.000 0.000 0.296 585 T C -1.559 173.032 174.700 -0.181 0.000 0.922 585 T CA -0.533 61.483 62.100 -0.140 0.000 1.079 585 T CB 1.970 70.766 68.868 -0.119 0.000 0.892 585 T HN 0.301 nan 8.240 nan 0.000 0.514 586 P HA 0.174 nan 4.420 nan 0.000 0.274 586 P C 0.833 178.031 177.300 -0.169 0.000 1.231 586 P CA -0.416 62.548 63.100 -0.226 0.000 0.790 586 P CB 0.858 32.463 31.700 -0.158 0.000 0.951 587 M N 0.789 120.276 119.600 -0.188 0.000 2.117 587 M HA -0.072 4.408 4.480 0.000 0.000 0.262 587 M C 1.472 177.820 176.300 0.080 0.000 1.065 587 M CA 1.867 57.150 55.300 -0.030 0.000 1.114 587 M CB -0.170 32.474 32.600 0.074 0.000 1.361 587 M HN 0.383 nan 8.290 nan 0.000 0.408 588 M N 1.377 121.020 119.600 0.073 0.000 2.069 588 M HA 0.262 4.742 4.480 0.000 0.000 0.349 588 M C -1.029 175.286 176.300 0.025 0.000 1.194 588 M CA -0.010 55.346 55.300 0.094 0.000 1.081 588 M CB 0.391 32.977 32.600 -0.023 0.000 1.500 588 M HN 0.009 nan 8.290 nan 0.000 0.438 589 R N 3.631 124.195 120.500 0.107 0.000 2.514 589 R HA 0.681 5.021 4.340 0.000 0.000 0.301 589 R C -0.228 176.115 176.300 0.071 0.000 0.962 589 R CA -0.721 55.401 56.100 0.037 0.000 0.882 589 R CB 1.660 31.975 30.300 0.025 0.000 1.143 589 R HN 0.817 nan 8.270 nan 0.000 0.452 590 A N 3.446 126.259 122.820 -0.012 0.000 2.520 590 A HA 0.001 4.321 4.320 0.000 0.000 0.235 590 A C 1.327 178.933 177.584 0.037 0.000 1.065 590 A CA -0.057 51.977 52.037 -0.005 0.000 0.764 590 A CB 0.178 19.112 19.000 -0.111 0.000 1.002 590 A HN 0.792 nan 8.150 nan 0.000 0.502 591 M N 1.651 121.302 119.600 0.086 0.000 2.149 591 M HA -0.210 4.270 4.480 0.000 0.000 0.261 591 M C 2.009 178.402 176.300 0.156 0.000 1.064 591 M CA 2.311 57.718 55.300 0.179 0.000 1.102 591 M CB -1.445 31.237 32.600 0.137 0.000 1.369 591 M HN 0.991 nan 8.290 nan 0.000 0.408 592 M N -1.046 118.546 119.600 -0.013 0.000 2.213 592 M HA -0.101 4.379 4.480 0.000 0.000 0.263 592 M C 2.135 178.355 176.300 -0.134 0.000 1.062 592 M CA 1.746 56.988 55.300 -0.097 0.000 1.105 592 M CB -0.988 31.439 32.600 -0.289 0.000 1.385 592 M HN 0.194 nan 8.290 nan 0.000 0.417 593 M N 0.027 119.527 119.600 -0.167 0.000 2.117 593 M HA -0.180 4.300 4.480 0.000 0.000 0.262 593 M C 1.983 178.200 176.300 -0.137 0.000 1.065 593 M CA 2.086 57.290 55.300 -0.161 0.000 1.114 593 M CB -0.070 32.440 32.600 -0.151 0.000 1.361 593 M HN 0.469 nan 8.290 nan 0.000 0.408 594 E N -0.278 119.846 120.200 -0.126 0.000 2.230 594 E HA -0.015 4.335 4.350 0.000 0.000 0.192 594 E C -0.385 175.847 176.600 -0.613 0.000 0.987 594 E CA 0.907 57.086 56.400 -0.369 0.000 0.841 594 E CB 0.210 29.678 29.700 -0.387 0.000 0.783 594 E HN 0.512 nan 8.360 nan 0.000 0.481 595 F N 0.268 120.225 119.950 0.011 0.000 2.564 595 F HA 0.323 4.850 4.527 0.000 0.000 0.329 595 F C -1.826 173.974 175.800 0.000 0.000 1.458 595 F CA -1.779 56.241 58.000 0.034 0.000 1.117 595 F CB 1.677 40.731 39.000 0.089 0.000 1.383 595 F HN -0.043 nan 8.300 nan 0.000 0.571 596 P HA -0.134 nan 4.420 nan 0.000 0.225 596 P C 0.408 177.734 177.300 0.043 0.000 1.148 596 P CA 1.427 64.537 63.100 0.015 0.000 0.779 596 P CB 0.426 32.109 31.700 -0.029 0.000 0.780 597 D N -0.861 119.589 120.400 0.082 0.000 2.349 597 D HA 0.010 4.650 4.640 0.000 0.000 0.214 597 D C 0.207 176.559 176.300 0.087 0.000 1.063 597 D CA 0.272 54.316 54.000 0.072 0.000 0.847 597 D CB 0.087 40.929 40.800 0.070 0.000 0.933 597 D HN 0.140 nan 8.370 nan 0.000 0.513 598 D N 1.881 122.350 120.400 0.115 0.000 2.365 598 D HA 0.064 4.704 4.640 0.000 0.000 0.237 598 D C -1.321 174.991 176.300 0.021 0.000 1.190 598 D CA -1.961 52.093 54.000 0.091 0.000 0.867 598 D CB 1.946 42.829 40.800 0.139 0.000 1.050 598 D HN -0.039 nan 8.370 nan 0.000 0.491 599 P HA -0.070 nan 4.420 nan 0.000 0.226 599 P C 0.814 178.082 177.300 -0.053 0.000 1.153 599 P CA 0.407 63.504 63.100 -0.006 0.000 0.777 599 P CB 0.276 31.984 31.700 0.014 0.000 0.794 600 A N -0.989 121.731 122.820 -0.167 0.000 2.235 600 A HA 0.000 4.320 4.320 0.000 0.000 0.208 600 A C 2.025 179.369 177.584 -0.399 0.000 1.172 600 A CA 0.627 52.447 52.037 -0.361 0.000 0.786 600 A CB -1.330 17.173 19.000 -0.828 0.000 0.804 600 A HN 0.251 nan 8.150 nan 0.000 0.479 601 C N -0.520 118.648 119.300 -0.220 0.000 2.799 601 C HA 0.082 4.542 4.460 0.000 0.000 0.267 601 C C 1.771 176.739 174.990 -0.037 0.000 1.257 601 C CA -0.113 58.831 59.018 -0.125 0.000 1.702 601 C CB -0.704 27.027 27.740 -0.015 0.000 1.934 601 C HN 0.568 nan 8.230 nan 0.000 0.594 602 D N 1.035 121.412 120.400 -0.040 0.000 2.116 602 D HA -0.156 4.484 4.640 0.000 0.000 0.193 602 D C 1.028 177.215 176.300 -0.189 0.000 0.998 602 D CA 1.797 55.721 54.000 -0.127 0.000 0.836 602 D CB -0.179 40.453 40.800 -0.281 0.000 0.951 602 D HN 0.578 nan 8.370 nan 0.000 0.449 603 Y N -0.204 120.141 120.300 0.074 0.000 2.507 603 Y HA 0.285 4.835 4.550 0.000 0.000 0.254 603 Y C 0.479 176.425 175.900 0.078 0.000 1.171 603 Y CA -0.377 57.763 58.100 0.067 0.000 1.238 603 Y CB 0.169 38.646 38.460 0.029 0.000 1.148 603 Y HN -0.202 nan 8.280 nan 0.000 0.525 604 L N 2.778 124.105 121.223 0.174 0.000 2.477 604 L HA 0.071 4.411 4.340 0.000 0.000 0.272 604 L C 0.383 177.321 176.870 0.113 0.000 1.157 604 L CA 0.341 55.265 54.840 0.140 0.000 0.889 604 L CB 0.455 42.550 42.059 0.060 0.000 1.158 604 L HN 0.317 nan 8.230 nan 0.000 0.473 605 D N 1.440 121.905 120.400 0.107 0.000 2.516 605 D HA -0.006 4.634 4.640 0.000 0.000 0.241 605 D C 1.123 177.449 176.300 0.044 0.000 1.246 605 D CA -0.189 53.849 54.000 0.063 0.000 0.808 605 D CB 0.300 41.122 40.800 0.037 0.000 1.147 605 D HN 0.400 nan 8.370 nan 0.000 0.527 606 R N 0.572 121.119 120.500 0.077 0.000 2.393 606 R HA 0.208 4.548 4.340 0.000 0.000 0.244 606 R C 0.366 176.789 176.300 0.204 0.000 0.920 606 R CA 0.095 56.259 56.100 0.107 0.000 1.076 606 R CB 0.524 30.872 30.300 0.080 0.000 1.119 606 R HN 0.409 nan 8.270 nan 0.000 0.524 607 Q N -0.145 119.756 119.800 0.167 0.000 2.534 607 Q HA 0.409 4.749 4.340 0.000 0.000 0.290 607 Q C -1.479 174.649 176.000 0.213 0.000 0.991 607 Q CA -1.179 54.686 55.803 0.104 0.000 0.783 607 Q CB 1.609 30.340 28.738 -0.012 0.000 1.470 607 Q HN 0.079 nan 8.270 nan 0.000 0.406 608 Y N -1.723 118.583 120.300 0.010 0.000 2.689 608 Y HA 0.698 5.248 4.550 0.000 0.000 0.333 608 Y C -1.385 174.563 175.900 0.080 0.000 1.208 608 Y CA -1.615 56.513 58.100 0.046 0.000 1.055 608 Y CB 1.342 39.837 38.460 0.058 0.000 1.304 608 Y HN 0.515 nan 8.280 nan 0.000 0.455 609 M N 2.819 122.574 119.600 0.259 0.000 2.264 609 M HA 0.367 4.847 4.480 0.000 0.000 0.352 609 M C -1.299 175.189 176.300 0.312 0.000 1.173 609 M CA -0.677 54.755 55.300 0.219 0.000 1.075 609 M CB 1.501 34.238 32.600 0.229 0.000 1.621 609 M HN 0.744 nan 8.290 nan 0.000 0.457 610 L N 3.407 124.792 121.223 0.269 0.000 2.283 610 L HA 0.650 4.990 4.340 0.000 0.000 0.281 610 L C 0.395 177.434 176.870 0.283 0.000 1.033 610 L CA 0.661 55.702 54.840 0.335 0.000 0.848 610 L CB 0.263 42.536 42.059 0.356 0.000 1.226 610 L HN 0.964 nan 8.230 nan 0.000 0.429 611 G N 3.909 112.805 108.800 0.161 0.000 2.750 611 G HA2 -0.281 3.679 3.960 0.000 0.000 0.228 611 G HA3 -0.281 3.679 3.960 0.000 0.000 0.228 611 G C 0.332 175.314 174.900 0.137 0.000 1.367 611 G CA 0.031 45.164 45.100 0.056 0.000 0.871 611 G HN 0.558 nan 8.290 nan 0.000 0.560 612 D N 0.354 120.821 120.400 0.113 0.000 2.219 612 D HA -0.033 4.607 4.640 0.000 0.000 0.205 612 D C 1.981 178.356 176.300 0.126 0.000 0.970 612 D CA 1.368 55.413 54.000 0.075 0.000 0.851 612 D CB 0.043 40.868 40.800 0.043 0.000 0.943 612 D HN 0.347 nan 8.370 nan 0.000 0.488 613 N N -0.331 118.512 118.700 0.238 0.000 2.210 613 N HA 0.028 4.768 4.740 0.000 0.000 0.203 613 N C -0.012 175.529 175.510 0.051 0.000 1.175 613 N CA 0.054 53.155 53.050 0.086 0.000 0.894 613 N CB 2.268 40.755 38.487 -0.001 0.000 1.041 613 N HN 0.065 nan 8.380 nan 0.000 0.506 614 V N 0.671 120.669 119.914 0.141 0.000 2.540 614 V HA 0.527 4.647 4.120 0.000 0.000 0.302 614 V C -0.530 175.646 176.094 0.136 0.000 1.035 614 V CA -0.765 61.592 62.300 0.095 0.000 0.873 614 V CB 2.209 33.987 31.823 -0.075 0.000 0.992 614 V HN -0.098 nan 8.190 nan 0.000 0.428 615 M N 7.264 126.939 119.600 0.124 0.000 2.108 615 M HA 0.491 4.971 4.480 0.000 0.000 0.354 615 M C -0.980 175.152 176.300 -0.281 0.000 1.229 615 M CA -0.196 55.048 55.300 -0.094 0.000 1.081 615 M CB 1.022 33.450 32.600 -0.288 0.000 1.606 615 M HN 0.915 nan 8.290 nan 0.000 0.467 616 V N 5.418 125.054 119.914 -0.462 0.000 2.459 616 V HA 0.893 5.013 4.120 0.000 0.000 0.295 616 V C -0.898 174.840 176.094 -0.593 0.000 1.029 616 V CA -0.366 61.599 62.300 -0.557 0.000 0.874 616 V CB 1.430 32.964 31.823 -0.482 0.000 0.985 616 V HN 0.946 nan 8.190 nan 0.000 0.438 617 A N 7.746 130.298 122.820 -0.447 0.000 2.360 617 A HA 0.862 5.182 4.320 0.000 0.000 0.309 617 A C -2.793 174.624 177.584 -0.278 0.000 1.311 617 A CA -1.770 50.080 52.037 -0.312 0.000 0.805 617 A CB 0.862 19.658 19.000 -0.339 0.000 1.144 617 A HN 0.756 nan 8.150 nan 0.000 0.486 618 P HA 0.212 nan 4.420 nan 0.000 0.270 618 P C -0.301 176.661 177.300 -0.564 0.000 1.223 618 P CA -0.071 62.741 63.100 -0.480 0.000 0.785 618 P CB 0.742 31.940 31.700 -0.836 0.000 0.923 619 V N 2.794 122.409 119.914 -0.499 0.000 2.439 619 V HA 0.223 4.343 4.120 0.000 0.000 0.282 619 V C 0.281 176.052 176.094 -0.538 0.000 1.039 619 V CA 0.255 62.350 62.300 -0.342 0.000 0.913 619 V CB 0.346 32.090 31.823 -0.131 0.000 0.983 619 V HN 0.449 nan 8.190 nan 0.000 0.460 620 F N 2.150 121.951 119.950 -0.248 0.000 2.735 620 F HA 0.257 4.784 4.527 0.000 0.000 0.304 620 F C 1.030 176.261 175.800 -0.947 0.000 1.119 620 F CA -0.259 57.429 58.000 -0.519 0.000 1.280 620 F CB 0.702 39.560 39.000 -0.238 0.000 0.994 620 F HN 0.568 nan 8.300 nan 0.000 0.520 621 T N -4.348 109.873 114.554 -0.556 0.000 2.906 621 T HA 0.290 4.640 4.350 0.000 0.000 0.295 621 T C 0.775 175.379 174.700 -0.160 0.000 1.061 621 T CA -0.647 61.237 62.100 -0.360 0.000 1.000 621 T CB 2.430 71.238 68.868 -0.101 0.000 1.103 621 T HN 0.172 nan 8.240 nan 0.000 0.486 622 E N 1.085 121.313 120.200 0.047 0.000 2.072 622 E HA -0.082 4.268 4.350 0.000 0.000 0.191 622 E C 2.194 178.793 176.600 -0.002 0.000 0.985 622 E CA 1.153 57.581 56.400 0.046 0.000 0.801 622 E CB -0.404 29.143 29.700 -0.255 0.000 0.750 622 E HN 0.815 nan 8.360 nan 0.000 0.452 623 A N -0.022 122.782 122.820 -0.026 0.000 2.121 623 A HA 0.045 4.365 4.320 0.000 0.000 0.218 623 A C 1.890 179.425 177.584 -0.082 0.000 1.154 623 A CA 1.450 53.462 52.037 -0.042 0.000 0.679 623 A CB -0.554 18.436 19.000 -0.017 0.000 0.795 623 A HN 0.549 nan 8.150 nan 0.000 0.458 624 G N -1.020 107.735 108.800 -0.075 0.000 2.176 624 G HA2 -0.178 3.782 3.960 0.000 0.000 0.232 624 G HA3 -0.178 3.782 3.960 0.000 0.000 0.232 624 G C -0.351 174.567 174.900 0.029 0.000 0.986 624 G CA 0.104 45.167 45.100 -0.062 0.000 0.643 624 G HN 0.509 nan 8.290 nan 0.000 0.522 625 D N 0.188 120.605 120.400 0.028 0.000 2.424 625 D HA 0.448 5.088 4.640 0.000 0.000 0.244 625 D C 0.012 176.375 176.300 0.105 0.000 1.134 625 D CA 0.643 54.686 54.000 0.072 0.000 0.881 625 D CB 2.390 43.215 40.800 0.043 0.000 1.191 625 D HN 0.453 nan 8.370 nan 0.000 0.445 626 V N 2.029 122.051 119.914 0.180 0.000 2.891 626 V HA 0.210 4.330 4.120 0.000 0.000 0.304 626 V C -1.682 174.608 176.094 0.328 0.000 1.171 626 V CA -0.571 61.872 62.300 0.238 0.000 0.943 626 V CB 2.209 34.157 31.823 0.207 0.000 1.037 626 V HN 0.464 nan 8.190 nan 0.000 0.427 627 Q N 5.739 125.747 119.800 0.346 0.000 2.353 627 Q HA 0.770 5.110 4.340 0.000 0.000 0.268 627 Q C -1.522 174.822 176.000 0.572 0.000 1.045 627 Q CA -0.507 55.519 55.803 0.371 0.000 0.811 627 Q CB 2.752 31.649 28.738 0.266 0.000 1.305 627 Q HN 0.751 nan 8.270 nan 0.000 0.447 628 F N -1.124 119.005 119.950 0.299 0.000 2.678 628 F HA 0.515 5.042 4.527 0.000 0.000 0.308 628 F C -1.819 173.643 175.800 -0.564 0.000 1.118 628 F CA -1.396 56.516 58.000 -0.147 0.000 0.959 628 F CB 0.931 39.839 39.000 -0.152 0.000 1.305 628 F HN 0.472 nan 8.300 nan 0.000 0.443 629 Y N 2.966 122.645 120.300 -1.035 0.000 2.323 629 Y HA 0.738 5.288 4.550 0.000 0.000 0.331 629 Y C -1.616 173.916 175.900 -0.614 0.000 1.092 629 Y CA -1.126 56.291 58.100 -1.138 0.000 1.150 629 Y CB 1.382 38.956 38.460 -1.477 0.000 1.200 629 Y HN 0.736 nan 8.280 nan 0.000 0.472 630 L N 9.216 129.644 121.223 -1.324 0.000 2.305 630 L HA 0.552 4.892 4.340 0.000 0.000 0.284 630 L C -2.329 173.680 176.870 -1.437 0.000 1.013 630 L CA -2.844 51.232 54.840 -1.274 0.000 0.819 630 L CB 1.275 42.722 42.059 -1.020 0.000 1.227 630 L HN 0.597 nan 8.230 nan 0.000 0.417 631 P HA 0.020 nan 4.420 nan 0.000 0.271 631 P C -0.450 176.804 177.300 -0.075 0.000 1.244 631 P CA -0.495 62.329 63.100 -0.459 0.000 0.793 631 P CB 0.404 31.588 31.700 -0.859 0.000 0.984 632 E N 0.454 120.664 120.200 0.017 0.000 3.056 632 E HA 0.116 4.466 4.350 0.000 0.000 0.264 632 E C 0.458 177.139 176.600 0.135 0.000 0.899 632 E CA 1.297 57.749 56.400 0.087 0.000 0.966 632 E CB -0.559 29.195 29.700 0.091 0.000 0.913 632 E HN 0.679 nan 8.360 nan 0.000 0.522 633 G N 3.388 112.250 108.800 0.104 0.000 2.353 633 G HA2 -0.130 3.830 3.960 0.000 0.000 0.615 633 G HA3 -0.130 3.830 3.960 0.000 0.000 0.615 633 G C -1.178 173.758 174.900 0.060 0.000 1.280 633 G CA -0.539 44.561 45.100 0.001 0.000 1.000 633 G HN 0.570 nan 8.290 nan 0.000 0.516 634 R N -0.143 120.325 120.500 -0.053 0.000 2.275 634 R HA 0.528 4.868 4.340 0.000 0.000 0.326 634 R C -0.859 175.443 176.300 0.004 0.000 0.973 634 R CA -0.689 55.439 56.100 0.048 0.000 0.854 634 R CB 0.478 30.798 30.300 0.033 0.000 1.156 634 R HN 0.457 nan 8.270 nan 0.000 0.487 635 W N 1.823 123.105 121.300 -0.029 0.000 2.359 635 W HA 0.400 5.061 4.660 0.000 0.000 0.344 635 W C 0.011 176.621 176.519 0.152 0.000 1.170 635 W CA -0.216 57.139 57.345 0.017 0.000 1.296 635 W CB 1.756 31.182 29.460 -0.057 0.000 1.197 635 W HN 0.294 nan 8.180 nan 0.000 0.618 636 T N 1.358 116.167 114.554 0.424 0.000 2.928 636 T HA 0.080 4.430 4.350 0.000 0.000 0.296 636 T C -0.788 174.023 174.700 0.184 0.000 1.000 636 T CA -0.648 61.672 62.100 0.367 0.000 0.989 636 T CB 0.854 69.968 68.868 0.409 0.000 1.005 636 T HN 0.287 nan 8.240 nan 0.000 0.442 637 H N 3.076 122.103 119.070 -0.072 0.000 2.928 637 H HA 0.072 4.628 4.556 0.000 0.000 0.338 637 H C 0.889 176.008 175.328 -0.350 0.000 1.047 637 H CA -0.263 55.391 56.048 -0.656 0.000 1.435 637 H CB 0.904 30.218 29.762 -0.747 0.000 1.428 637 H HN 0.517 nan 8.280 nan 0.000 0.590 638 L N 6.004 126.863 121.223 -0.607 0.000 2.131 638 L HA -0.139 4.201 4.340 0.000 0.000 0.210 638 L C 1.654 178.668 176.870 0.240 0.000 1.092 638 L CA 2.026 56.792 54.840 -0.122 0.000 0.759 638 L CB -0.481 41.521 42.059 -0.095 0.000 0.903 638 L HN 0.818 nan 8.230 nan 0.000 0.435 639 W N -4.608 116.789 121.300 0.161 0.000 2.773 639 W HA 0.285 4.945 4.660 0.000 0.000 0.297 639 W C 1.771 178.344 176.519 0.089 0.000 1.050 639 W CA -0.105 57.297 57.345 0.096 0.000 1.467 639 W CB -0.670 28.819 29.460 0.049 0.000 0.977 639 W HN -0.067 nan 8.180 nan 0.000 0.573 640 H N 1.151 120.066 119.070 -0.258 0.000 2.470 640 H HA 0.036 4.592 4.556 0.000 0.000 0.289 640 H C 0.731 176.030 175.328 -0.047 0.000 1.033 640 H CA 1.281 57.160 56.048 -0.282 0.000 1.331 640 H CB -0.303 29.063 29.762 -0.661 0.000 1.414 640 H HN 0.148 nan 8.280 nan 0.000 0.545 641 N N 0.907 119.696 118.700 0.149 0.000 2.900 641 N HA -0.164 4.576 4.740 0.000 0.000 0.240 641 N C -0.424 175.192 175.510 0.176 0.000 0.953 641 N CA 1.247 54.407 53.050 0.184 0.000 0.950 641 N CB -1.154 37.426 38.487 0.155 0.000 1.102 641 N HN 0.702 nan 8.380 nan 0.000 0.593 642 D N 0.464 120.962 120.400 0.164 0.000 2.362 642 D HA 0.149 4.789 4.640 0.000 0.000 0.242 642 D C -0.112 176.356 176.300 0.280 0.000 1.132 642 D CA 0.326 54.430 54.000 0.173 0.000 0.907 642 D CB 1.074 41.950 40.800 0.126 0.000 1.195 642 D HN 0.224 nan 8.370 nan 0.000 0.429 643 E N 0.391 120.719 120.200 0.215 0.000 2.207 643 E HA 0.585 4.935 4.350 0.000 0.000 0.270 643 E C -0.677 175.993 176.600 0.116 0.000 0.927 643 E CA -0.858 55.669 56.400 0.212 0.000 0.799 643 E CB 2.234 32.025 29.700 0.152 0.000 1.172 643 E HN 0.355 nan 8.360 nan 0.000 0.404 644 L N 1.966 123.217 121.223 0.047 0.000 2.431 644 L HA 0.379 4.719 4.340 0.000 0.000 0.266 644 L C -0.825 176.043 176.870 -0.005 0.000 0.978 644 L CA -1.072 53.681 54.840 -0.144 0.000 0.822 644 L CB 1.977 43.635 42.059 -0.670 0.000 1.310 644 L HN 0.411 nan 8.230 nan 0.000 0.409 645 D N 1.645 122.072 120.400 0.045 0.000 2.345 645 D HA 0.367 5.008 4.640 0.000 0.000 0.247 645 D C 0.225 176.591 176.300 0.109 0.000 1.108 645 D CA 0.122 54.180 54.000 0.096 0.000 0.894 645 D CB 2.132 42.977 40.800 0.076 0.000 1.203 645 D HN 0.655 nan 8.370 nan 0.000 0.430 646 G N -0.770 108.086 108.800 0.093 0.000 2.568 646 G HA2 0.358 4.318 3.960 0.000 0.000 0.293 646 G HA3 0.358 4.318 3.960 0.000 0.000 0.293 646 G C 0.206 175.043 174.900 -0.104 0.000 1.347 646 G CA 0.001 45.087 45.100 -0.024 0.000 1.039 646 G HN 0.647 nan 8.290 nan 0.000 0.523 647 S N -1.886 113.663 115.700 -0.253 0.000 3.672 647 S HA -0.178 4.292 4.470 0.000 0.000 0.319 647 S C 0.320 174.892 174.600 -0.048 0.000 1.151 647 S CA 1.906 60.050 58.200 -0.095 0.000 0.911 647 S CB -1.536 61.683 63.200 0.031 0.000 0.939 647 S HN 1.643 nan 8.310 nan 0.000 0.524 648 R N -1.906 118.400 120.500 -0.323 0.000 2.756 648 R HA 0.674 5.014 4.340 0.000 0.000 0.273 648 R C -1.383 174.694 176.300 -0.371 0.000 1.030 648 R CA -1.235 54.779 56.100 -0.143 0.000 0.887 648 R CB -0.151 30.042 30.300 -0.179 0.000 1.274 648 R HN 0.189 nan 8.270 nan 0.000 0.461 649 W N 0.491 121.615 121.300 -0.293 0.000 2.448 649 W HA 0.511 5.171 4.660 0.000 0.000 0.339 649 W C 0.157 176.224 176.519 -0.753 0.000 1.124 649 W CA 0.277 57.414 57.345 -0.347 0.000 1.262 649 W CB 1.185 30.545 29.460 -0.167 0.000 1.251 649 W HN 0.299 nan 8.180 nan 0.000 0.597 650 H N 1.362 120.219 119.070 -0.355 0.000 2.895 650 H HA 0.362 4.918 4.556 0.000 0.000 0.373 650 H C -1.202 173.854 175.328 -0.453 0.000 1.174 650 H CA -1.123 54.594 56.048 -0.552 0.000 1.144 650 H CB 2.606 31.726 29.762 -1.070 0.000 1.793 650 H HN 0.260 nan 8.280 nan 0.000 0.551 651 K N 2.108 122.443 120.400 -0.109 0.000 2.471 651 K HA 0.374 4.694 4.320 0.000 0.000 0.252 651 K C -1.137 175.523 176.600 0.101 0.000 0.938 651 K CA -0.388 55.906 56.287 0.011 0.000 0.796 651 K CB 1.763 34.268 32.500 0.008 0.000 1.161 651 K HN 0.607 nan 8.250 nan 0.000 0.425 652 Q N 1.716 121.654 119.800 0.229 0.000 2.605 652 Q HA 0.295 4.635 4.340 0.000 0.000 0.296 652 Q C -1.623 174.510 176.000 0.221 0.000 1.056 652 Q CA -1.074 54.875 55.803 0.244 0.000 0.778 652 Q CB 2.859 31.869 28.738 0.454 0.000 1.497 652 Q HN 0.564 nan 8.270 nan 0.000 0.443 653 Q N 0.673 120.521 119.800 0.080 0.000 2.323 653 Q HA 0.371 4.711 4.340 0.000 0.000 0.271 653 Q C -1.722 174.204 176.000 -0.123 0.000 1.048 653 Q CA -0.405 55.423 55.803 0.041 0.000 0.792 653 Q CB 1.448 30.172 28.738 -0.023 0.000 1.280 653 Q HN 0.610 nan 8.270 nan 0.000 0.441 654 H N 1.953 121.012 119.070 -0.018 0.000 2.600 654 H HA 0.380 4.936 4.556 0.000 0.000 0.357 654 H C -0.100 175.166 175.328 -0.103 0.000 1.106 654 H CA -0.521 55.517 56.048 -0.017 0.000 1.193 654 H CB 2.109 31.901 29.762 0.049 0.000 1.594 654 H HN 0.904 nan 8.280 nan 0.000 0.526 655 G N 0.588 109.380 108.800 -0.013 0.000 2.611 655 G HA2 0.069 4.029 3.960 0.000 0.000 0.273 655 G HA3 0.069 4.029 3.960 0.000 0.000 0.273 655 G C 0.265 175.153 174.900 -0.020 0.000 1.305 655 G CA -0.316 44.719 45.100 -0.108 0.000 1.010 655 G HN 0.488 nan 8.290 nan 0.000 0.509 656 F N -1.271 118.795 119.950 0.194 0.000 2.604 656 F HA 0.116 4.643 4.527 0.000 0.000 0.298 656 F C 2.037 178.005 175.800 0.279 0.000 1.131 656 F CA 0.161 58.301 58.000 0.234 0.000 1.457 656 F CB 0.111 39.242 39.000 0.219 0.000 1.095 656 F HN 0.031 nan 8.300 nan 0.000 0.574 657 L N -1.218 120.187 121.223 0.302 0.000 2.629 657 L HA 0.218 4.558 4.340 0.000 0.000 0.230 657 L C 0.513 177.503 176.870 0.200 0.000 1.151 657 L CA 0.067 54.919 54.840 0.019 0.000 0.924 657 L CB -0.932 40.929 42.059 -0.330 0.000 1.137 657 L HN -0.046 nan 8.230 nan 0.000 0.457 658 S N -0.157 115.854 115.700 0.519 0.000 2.607 658 S HA 0.907 5.377 4.470 0.000 0.000 0.273 658 S C -1.270 173.629 174.600 0.499 0.000 1.148 658 S CA -0.578 58.033 58.200 0.684 0.000 0.833 658 S CB 1.375 64.971 63.200 0.659 0.000 1.130 658 S HN 0.125 nan 8.310 nan 0.000 0.470 659 L N -0.615 120.768 121.223 0.267 0.000 2.947 659 L HA 0.680 5.020 4.340 0.000 0.000 0.267 659 L C -3.212 173.377 176.870 -0.469 0.000 1.004 659 L CA -2.111 52.551 54.840 -0.297 0.000 0.937 659 L CB 1.519 43.522 42.059 -0.095 0.000 1.496 659 L HN 0.360 nan 8.230 nan 0.000 0.409 660 P HA 0.225 nan 4.420 nan 0.000 0.265 660 P C -0.984 176.005 177.300 -0.519 0.000 1.222 660 P CA 0.076 62.863 63.100 -0.522 0.000 0.767 660 P CB 0.868 31.965 31.700 -1.006 0.000 0.801 661 V N 5.946 125.368 119.914 -0.819 0.000 2.398 661 V HA 0.333 4.453 4.120 0.000 0.000 0.282 661 V C -0.797 174.664 176.094 -1.055 0.000 1.014 661 V CA -0.505 61.333 62.300 -0.770 0.000 0.838 661 V CB 0.393 31.880 31.823 -0.561 0.000 1.018 661 V HN 0.385 nan 8.190 nan 0.000 0.432 662 Y N 2.541 122.598 120.300 -0.405 0.000 2.409 662 Y HA 0.691 5.241 4.550 0.000 0.000 0.343 662 Y C 0.029 175.963 175.900 0.057 0.000 0.973 662 Y CA -0.938 57.055 58.100 -0.177 0.000 1.064 662 Y CB 2.410 40.789 38.460 -0.135 0.000 1.207 662 Y HN 0.375 nan 8.280 nan 0.000 0.452 663 V N 4.258 124.212 119.914 0.067 0.000 2.398 663 V HA 0.449 4.569 4.120 0.000 0.000 0.286 663 V C 0.108 176.030 176.094 -0.287 0.000 1.026 663 V CA -1.338 60.800 62.300 -0.269 0.000 0.868 663 V CB 1.155 32.380 31.823 -0.996 0.000 0.982 663 V HN 0.716 nan 8.190 nan 0.000 0.443 664 R N 2.293 122.436 120.500 -0.594 0.000 2.756 664 R HA 0.115 4.455 4.340 0.000 0.000 0.264 664 R C 0.051 175.994 176.300 -0.595 0.000 1.026 664 R CA -0.299 55.139 56.100 -1.104 0.000 1.121 664 R CB 0.273 30.127 30.300 -0.744 0.000 0.999 664 R HN 0.935 nan 8.270 nan 0.000 0.449 665 D N 1.129 121.185 120.400 -0.574 0.000 2.363 665 D HA -0.078 4.562 4.640 0.000 0.000 0.240 665 D C -0.094 176.091 176.300 -0.191 0.000 1.236 665 D CA -0.376 53.461 54.000 -0.271 0.000 0.927 665 D CB 0.228 40.883 40.800 -0.243 0.000 1.150 665 D HN 0.502 nan 8.370 nan 0.000 0.458 666 N N -1.441 117.199 118.700 -0.100 0.000 2.735 666 N HA -0.153 4.587 4.740 0.000 0.000 0.248 666 N C -0.934 174.571 175.510 -0.008 0.000 1.083 666 N CA 0.962 53.978 53.050 -0.058 0.000 0.703 666 N CB -1.690 36.734 38.487 -0.106 0.000 1.005 666 N HN 0.548 nan 8.380 nan 0.000 0.550 667 T N 0.965 115.545 114.554 0.043 0.000 2.829 667 T HA 0.555 4.905 4.350 0.000 0.000 0.280 667 T C -0.134 174.684 174.700 0.196 0.000 0.999 667 T CA -0.520 61.623 62.100 0.072 0.000 0.983 667 T CB 2.285 71.133 68.868 -0.032 0.000 0.968 667 T HN 0.136 nan 8.240 nan 0.000 0.446 668 L N 4.392 125.714 121.223 0.165 0.000 2.316 668 L HA 0.689 5.029 4.340 0.000 0.000 0.280 668 L C -1.388 175.639 176.870 0.263 0.000 1.006 668 L CA -0.705 54.266 54.840 0.218 0.000 0.836 668 L CB 0.995 43.130 42.059 0.127 0.000 1.221 668 L HN 0.508 nan 8.230 nan 0.000 0.418 669 L N 4.524 125.956 121.223 0.347 0.000 2.334 669 L HA 0.867 5.207 4.340 0.000 0.000 0.276 669 L C -0.312 176.753 176.870 0.325 0.000 1.014 669 L CA -0.219 54.782 54.840 0.269 0.000 0.815 669 L CB 1.879 44.072 42.059 0.223 0.000 1.268 669 L HN 0.712 nan 8.230 nan 0.000 0.428 670 A N 4.971 127.929 122.820 0.230 0.000 2.249 670 A HA 0.683 5.003 4.320 0.000 0.000 0.314 670 A C -1.175 176.434 177.584 0.041 0.000 1.290 670 A CA -0.416 51.644 52.037 0.037 0.000 0.893 670 A CB 0.152 19.154 19.000 0.004 0.000 1.165 670 A HN 0.487 nan 8.150 nan 0.000 0.530 671 L N 2.063 123.318 121.223 0.054 0.000 2.334 671 L HA 0.770 5.110 4.340 0.000 0.000 0.272 671 L C 0.935 177.845 176.870 0.067 0.000 1.020 671 L CA -0.031 54.858 54.840 0.083 0.000 0.812 671 L CB 1.593 43.733 42.059 0.135 0.000 1.264 671 L HN 0.772 nan 8.230 nan 0.000 0.439 672 G N 0.375 109.266 108.800 0.151 0.000 2.601 672 G HA2 0.387 4.347 3.960 0.000 0.000 0.317 672 G HA3 0.387 4.347 3.960 0.000 0.000 0.317 672 G C 0.131 175.128 174.900 0.162 0.000 1.246 672 G CA -0.415 44.850 45.100 0.275 0.000 1.012 672 G HN 0.683 nan 8.290 nan 0.000 0.494 673 N N -0.438 118.331 118.700 0.114 0.000 2.251 673 N HA 0.051 4.791 4.740 0.000 0.000 0.217 673 N C -0.318 175.057 175.510 -0.225 0.000 1.124 673 N CA -0.432 52.595 53.050 -0.039 0.000 0.843 673 N CB 0.425 38.908 38.487 -0.007 0.000 1.024 673 N HN 0.307 nan 8.380 nan 0.000 0.501 674 N N 1.023 119.440 118.700 -0.471 0.000 2.352 674 N HA 0.103 4.843 4.740 0.000 0.000 0.291 674 N C -1.249 174.039 175.510 -0.369 0.000 1.040 674 N CA -0.289 52.379 53.050 -0.636 0.000 0.864 674 N CB 1.723 39.388 38.487 -1.370 0.000 1.440 674 N HN 0.180 nan 8.380 nan 0.000 0.483 675 D N 1.775 122.060 120.400 -0.192 0.000 2.535 675 D HA 0.107 4.747 4.640 0.000 0.000 0.229 675 D C 0.115 176.400 176.300 -0.025 0.000 1.238 675 D CA 0.211 54.158 54.000 -0.089 0.000 0.824 675 D CB 0.521 41.260 40.800 -0.103 0.000 1.045 675 D HN 0.324 nan 8.370 nan 0.000 0.500 676 Q N 0.366 120.157 119.800 -0.016 0.000 2.322 676 Q HA 0.203 4.543 4.340 0.000 0.000 0.250 676 Q C 0.499 176.646 176.000 0.245 0.000 0.853 676 Q CA 0.409 56.257 55.803 0.075 0.000 0.951 676 Q CB 1.642 30.390 28.738 0.016 0.000 1.114 676 Q HN 0.520 nan 8.270 nan 0.000 0.523 677 R N -0.650 119.949 120.500 0.165 0.000 2.710 677 R HA 0.402 4.742 4.340 0.000 0.000 0.270 677 R C -2.594 173.787 176.300 0.134 0.000 1.021 677 R CA -1.349 54.834 56.100 0.137 0.000 0.889 677 R CB 1.236 31.643 30.300 0.179 0.000 1.243 677 R HN -0.312 nan 8.270 nan 0.000 0.464 678 P HA -0.015 nan 4.420 nan 0.000 0.226 678 P C -0.713 176.785 177.300 0.330 0.000 1.161 678 P CA 0.829 64.046 63.100 0.195 0.000 0.804 678 P CB 0.095 31.840 31.700 0.074 0.000 0.829 679 D N 0.776 121.316 120.400 0.234 0.000 2.473 679 D HA 0.237 4.877 4.640 0.000 0.000 0.226 679 D C -0.160 176.134 176.300 -0.011 0.000 1.089 679 D CA -0.859 53.160 54.000 0.032 0.000 0.883 679 D CB 0.092 40.928 40.800 0.059 0.000 1.029 679 D HN 0.255 nan 8.370 nan 0.000 0.517 680 Y N -1.233 118.831 120.300 -0.392 0.000 2.764 680 Y HA 0.462 5.012 4.550 0.000 0.000 0.331 680 Y C -1.142 174.305 175.900 -0.754 0.000 1.280 680 Y CA -1.779 56.082 58.100 -0.397 0.000 1.065 680 Y CB 0.997 39.362 38.460 -0.159 0.000 1.319 680 Y HN 0.028 nan 8.280 nan 0.000 0.453 681 V N 3.170 122.896 119.914 -0.314 0.000 2.313 681 V HA 0.120 4.240 4.120 0.000 0.000 0.252 681 V C -0.024 175.864 176.094 -0.343 0.000 1.112 681 V CA -0.461 61.559 62.300 -0.466 0.000 0.984 681 V CB -0.632 30.983 31.823 -0.346 0.000 1.157 681 V HN 0.848 nan 8.190 nan 0.000 0.493 682 W N 4.648 125.784 121.300 -0.274 0.000 2.374 682 W HA -0.123 4.537 4.660 0.000 0.000 0.288 682 W C 2.222 178.694 176.519 -0.078 0.000 1.218 682 W CA 1.766 58.977 57.345 -0.223 0.000 1.245 682 W CB -0.874 28.449 29.460 -0.229 0.000 1.126 682 W HN 0.983 nan 8.180 nan 0.000 0.545 683 H N -0.846 118.314 119.070 0.150 0.000 2.547 683 H HA 0.254 4.810 4.556 0.000 0.000 0.266 683 H C -0.508 174.842 175.328 0.037 0.000 0.988 683 H CA 0.434 56.526 56.048 0.074 0.000 1.147 683 H CB -0.376 29.427 29.762 0.067 0.000 1.365 683 H HN 0.110 nan 8.280 nan 0.000 0.589 684 E N 0.348 120.423 120.200 -0.209 0.000 2.151 684 E HA 0.379 4.729 4.350 0.000 0.000 0.275 684 E C 0.220 176.830 176.600 0.016 0.000 0.936 684 E CA -0.261 56.085 56.400 -0.089 0.000 0.777 684 E CB 1.550 31.151 29.700 -0.164 0.000 1.108 684 E HN 0.500 nan 8.360 nan 0.000 0.401 685 G N 3.032 111.866 108.800 0.057 0.000 2.162 685 G HA2 -0.287 3.674 3.960 0.000 0.000 0.260 685 G HA3 -0.287 3.674 3.960 0.000 0.000 0.260 685 G C 0.418 175.357 174.900 0.066 0.000 0.976 685 G CA 0.278 45.415 45.100 0.061 0.000 0.655 685 G HN 0.521 nan 8.290 nan 0.000 0.533 686 T N 1.070 115.654 114.554 0.050 0.000 2.908 686 T HA 0.457 4.807 4.350 0.000 0.000 0.301 686 T C 0.635 175.249 174.700 -0.143 0.000 1.019 686 T CA 0.824 62.855 62.100 -0.114 0.000 1.152 686 T CB 1.480 70.157 68.868 -0.319 0.000 0.966 686 T HN 1.472 nan 8.240 nan 0.000 0.540 687 A N 3.927 126.643 122.820 -0.173 0.000 2.273 687 A HA 0.650 4.970 4.320 0.000 0.000 0.320 687 A C -0.325 177.111 177.584 -0.246 0.000 1.358 687 A CA -0.754 51.210 52.037 -0.121 0.000 0.910 687 A CB -0.075 18.941 19.000 0.027 0.000 1.159 687 A HN 0.693 nan 8.150 nan 0.000 0.526 688 F N 1.910 121.860 119.950 0.000 0.000 2.389 688 F HA 0.402 4.929 4.527 0.000 0.000 0.337 688 F C 1.005 176.648 175.800 -0.261 0.000 1.112 688 F CA 0.522 58.523 58.000 0.002 0.000 1.192 688 F CB 0.945 39.972 39.000 0.045 0.000 1.185 688 F HN 0.490 nan 8.300 nan 0.000 0.552 689 H N 2.933 122.139 119.070 0.227 0.000 2.782 689 H HA 0.348 4.904 4.556 0.000 0.000 0.347 689 H C -1.357 173.958 175.328 -0.021 0.000 1.038 689 H CA -0.843 55.204 56.048 -0.002 0.000 1.255 689 H CB 2.378 32.082 29.762 -0.096 0.000 1.623 689 H HN 0.424 nan 8.280 nan 0.000 0.525 690 L N 3.369 124.560 121.223 -0.054 0.000 2.309 690 L HA 0.458 4.798 4.340 0.000 0.000 0.282 690 L C -1.428 175.332 176.870 -0.183 0.000 1.036 690 L CA -0.231 54.610 54.840 0.000 0.000 0.806 690 L CB 0.486 42.553 42.059 0.015 0.000 1.220 690 L HN 0.363 nan 8.230 nan 0.000 0.429 691 F N 3.690 123.666 119.950 0.044 0.000 2.499 691 F HA 0.390 4.917 4.527 0.000 0.000 0.333 691 F C 0.664 176.450 175.800 -0.022 0.000 1.138 691 F CA -0.758 57.253 58.000 0.017 0.000 0.945 691 F CB 1.062 40.057 39.000 -0.009 0.000 1.181 691 F HN 0.619 nan 8.300 nan 0.000 0.435 692 N N 2.926 121.698 118.700 0.121 0.000 2.678 692 N HA -0.231 4.509 4.740 0.000 0.000 0.268 692 N C -0.720 174.788 175.510 -0.003 0.000 1.010 692 N CA -0.110 52.967 53.050 0.045 0.000 0.784 692 N CB -0.308 38.197 38.487 0.030 0.000 0.905 692 N HN 0.489 nan 8.380 nan 0.000 0.552 693 L N 1.614 122.844 121.223 0.011 0.000 2.530 693 L HA 0.026 4.366 4.340 0.000 0.000 0.273 693 L C 0.892 177.753 176.870 -0.015 0.000 1.141 693 L CA 0.502 55.343 54.840 0.000 0.000 0.905 693 L CB 0.345 42.421 42.059 0.028 0.000 1.202 693 L HN 0.353 nan 8.230 nan 0.000 0.473 694 Q N 2.222 121.975 119.800 -0.077 0.000 2.317 694 Q HA 0.072 4.412 4.340 0.000 0.000 0.229 694 Q C -0.441 175.624 176.000 0.108 0.000 0.984 694 Q CA -0.619 55.159 55.803 -0.042 0.000 0.911 694 Q CB 1.001 29.614 28.738 -0.209 0.000 1.217 694 Q HN 0.484 nan 8.270 nan 0.000 0.501 695 D N -0.576 119.890 120.400 0.109 0.000 2.417 695 D HA 0.186 4.826 4.640 0.000 0.000 0.250 695 D C 0.652 177.049 176.300 0.162 0.000 1.166 695 D CA 1.636 55.700 54.000 0.107 0.000 0.881 695 D CB 0.157 40.996 40.800 0.065 0.000 1.164 695 D HN 0.667 nan 8.370 nan 0.000 0.467 696 G N 3.037 111.893 108.800 0.093 0.000 2.175 696 G HA2 -0.200 3.760 3.960 0.000 0.000 0.244 696 G HA3 -0.200 3.760 3.960 0.000 0.000 0.244 696 G C 0.289 175.126 174.900 -0.105 0.000 0.982 696 G CA 0.131 45.228 45.100 -0.005 0.000 0.641 696 G HN 0.698 nan 8.290 nan 0.000 0.527 697 H N 0.038 119.105 119.070 -0.005 0.000 2.676 697 H HA 0.686 5.242 4.556 0.000 0.000 0.352 697 H C -0.533 174.789 175.328 -0.009 0.000 1.193 697 H CA -0.295 55.748 56.048 -0.008 0.000 1.243 697 H CB 2.134 31.892 29.762 -0.008 0.000 1.751 697 H HN 0.354 nan 8.280 nan 0.000 0.567 698 E N 0.579 120.845 120.200 0.111 0.000 2.272 698 E HA 0.577 4.927 4.350 0.000 0.000 0.269 698 E C -1.784 174.845 176.600 0.049 0.000 0.877 698 E CA -0.983 55.447 56.400 0.050 0.000 0.755 698 E CB 2.102 31.807 29.700 0.007 0.000 1.192 698 E HN 0.696 nan 8.360 nan 0.000 0.422 699 A N 3.229 126.067 122.820 0.030 0.000 2.342 699 A HA 0.649 4.969 4.320 0.000 0.000 0.323 699 A C -1.163 176.421 177.584 0.001 0.000 1.125 699 A CA -0.585 51.468 52.037 0.027 0.000 0.785 699 A CB 1.487 20.515 19.000 0.046 0.000 1.221 699 A HN 0.338 nan 8.150 nan 0.000 0.463 700 V N 0.859 120.773 119.914 0.000 0.000 2.680 700 V HA 0.578 4.698 4.120 0.000 0.000 0.309 700 V C -0.518 175.580 176.094 0.006 0.000 1.052 700 V CA -0.594 61.689 62.300 -0.029 0.000 0.908 700 V CB 1.604 33.403 31.823 -0.041 0.000 1.001 700 V HN 1.064 nan 8.190 nan 0.000 0.431 701 C N 4.205 123.495 119.300 -0.017 0.000 2.397 701 C HA 0.608 5.068 4.460 0.000 0.000 0.325 701 C C -0.347 174.672 174.990 0.047 0.000 1.201 701 C CA -0.407 58.656 59.018 0.075 0.000 1.377 701 C CB 0.389 28.238 27.740 0.182 0.000 2.038 701 C HN 1.007 nan 8.230 nan 0.000 0.457 702 E N 4.179 124.422 120.200 0.072 0.000 2.113 702 E HA 0.439 4.789 4.350 0.000 0.000 0.273 702 E C -0.866 175.811 176.600 0.128 0.000 0.924 702 E CA -0.426 56.008 56.400 0.057 0.000 0.764 702 E CB 1.833 31.538 29.700 0.008 0.000 1.104 702 E HN 0.544 nan 8.360 nan 0.000 0.406 703 V N 5.870 125.910 119.914 0.209 0.000 2.406 703 V HA 0.257 4.377 4.120 0.000 0.000 0.272 703 V C -1.889 174.339 176.094 0.223 0.000 1.043 703 V CA -1.734 60.714 62.300 0.248 0.000 0.915 703 V CB 0.826 32.877 31.823 0.379 0.000 0.988 703 V HN 0.587 nan 8.190 nan 0.000 0.466 704 P HA 0.420 nan 4.420 nan 0.000 0.279 704 P C -0.537 177.014 177.300 0.419 0.000 1.252 704 P CA -0.347 62.916 63.100 0.272 0.000 0.811 704 P CB 1.373 33.235 31.700 0.271 0.000 1.035 705 A N 1.421 124.423 122.820 0.302 0.000 2.246 705 A HA 0.522 4.842 4.320 0.000 0.000 0.291 705 A C 1.700 179.469 177.584 0.308 0.000 1.103 705 A CA 0.129 52.304 52.037 0.229 0.000 0.844 705 A CB -0.471 18.594 19.000 0.107 0.000 1.136 705 A HN 0.509 nan 8.150 nan 0.000 0.500 706 A N -0.121 122.731 122.820 0.053 0.000 2.076 706 A HA -0.138 4.182 4.320 0.000 0.000 0.220 706 A C 1.250 178.969 177.584 0.226 0.000 1.160 706 A CA 2.151 54.164 52.037 -0.041 0.000 0.653 706 A CB -0.631 18.250 19.000 -0.197 0.000 0.801 706 A HN 0.860 nan 8.150 nan 0.000 0.455 707 D N -2.819 117.712 120.400 0.218 0.000 2.340 707 D HA 0.304 4.944 4.640 0.000 0.000 0.217 707 D C 1.136 177.574 176.300 0.229 0.000 1.081 707 D CA 0.821 54.948 54.000 0.212 0.000 0.842 707 D CB -0.471 40.398 40.800 0.116 0.000 0.934 707 D HN 0.710 nan 8.370 nan 0.000 0.511 708 G N 0.403 109.397 108.800 0.324 0.000 2.199 708 G HA2 -0.306 3.654 3.960 0.000 0.000 0.254 708 G HA3 -0.306 3.654 3.960 0.000 0.000 0.254 708 G C 0.467 175.423 174.900 0.094 0.000 0.982 708 G CA 0.440 45.643 45.100 0.172 0.000 0.632 708 G HN 0.849 nan 8.290 nan 0.000 0.529 709 S N -0.331 115.429 115.700 0.100 0.000 2.585 709 S HA 0.561 5.031 4.470 0.000 0.000 0.273 709 S C 0.512 175.155 174.600 0.071 0.000 1.339 709 S CA -0.104 58.132 58.200 0.060 0.000 1.028 709 S CB 2.061 65.291 63.200 0.049 0.000 0.906 709 S HN 1.103 nan 8.310 nan 0.000 0.528 710 V N 3.632 123.571 119.914 0.041 0.000 2.446 710 V HA 0.108 4.228 4.120 0.000 0.000 0.276 710 V C 1.189 177.308 176.094 0.042 0.000 1.030 710 V CA 0.078 62.404 62.300 0.043 0.000 1.033 710 V CB -0.010 31.817 31.823 0.007 0.000 0.993 710 V HN 0.980 nan 8.190 nan 0.000 0.477 711 I N 4.446 125.055 120.570 0.066 0.000 3.228 711 I HA 0.283 4.453 4.170 0.000 0.000 0.279 711 I C 0.088 176.279 176.117 0.124 0.000 1.221 711 I CA 0.577 61.891 61.300 0.023 0.000 1.458 711 I CB 0.428 38.356 38.000 -0.120 0.000 1.105 711 I HN 0.560 nan 8.210 nan 0.000 0.445 712 F N -0.124 119.807 119.950 -0.031 0.000 2.604 712 F HA 0.381 4.908 4.527 0.000 0.000 0.316 712 F C -0.971 174.810 175.800 -0.032 0.000 1.136 712 F CA -0.468 57.513 58.000 -0.031 0.000 0.989 712 F CB 1.581 40.579 39.000 -0.003 0.000 1.258 712 F HN -0.416 nan 8.300 nan 0.000 0.451 713 T N 6.749 120.861 114.554 -0.737 0.000 2.792 713 T HA 0.524 4.874 4.350 0.000 0.000 0.280 713 T C -1.212 172.912 174.700 -0.960 0.000 0.990 713 T CA -0.546 61.207 62.100 -0.579 0.000 0.960 713 T CB 1.286 69.941 68.868 -0.355 0.000 0.939 713 T HN 0.500 nan 8.240 nan 0.000 0.439 714 L N 3.885 124.719 121.223 -0.649 0.000 2.341 714 L HA 0.589 4.929 4.340 0.000 0.000 0.278 714 L C -0.557 176.103 176.870 -0.350 0.000 1.005 714 L CA -0.742 53.722 54.840 -0.626 0.000 0.818 714 L CB 1.483 43.022 42.059 -0.867 0.000 1.259 714 L HN 0.587 nan 8.230 nan 0.000 0.418 715 K N 3.464 123.706 120.400 -0.263 0.000 2.318 715 K HA 0.779 5.099 4.320 0.000 0.000 0.249 715 K C -0.986 175.555 176.600 -0.098 0.000 0.942 715 K CA -0.692 55.507 56.287 -0.148 0.000 0.808 715 K CB 2.519 34.949 32.500 -0.116 0.000 1.189 715 K HN 0.581 nan 8.250 nan 0.000 0.428 716 A N 1.475 124.264 122.820 -0.053 0.000 2.410 716 A HA 0.674 4.994 4.320 0.000 0.000 0.289 716 A C -1.064 176.520 177.584 0.000 0.000 1.200 716 A CA -0.625 51.401 52.037 -0.019 0.000 0.751 716 A CB 1.014 20.012 19.000 -0.004 0.000 1.161 716 A HN 0.715 nan 8.150 nan 0.000 0.459 717 A N 2.477 125.298 122.820 0.001 0.000 2.324 717 A HA 0.847 5.167 4.320 0.000 0.000 0.330 717 A C 0.052 177.647 177.584 0.020 0.000 1.165 717 A CA -0.666 51.377 52.037 0.010 0.000 0.813 717 A CB 0.870 19.868 19.000 -0.003 0.000 1.197 717 A HN 0.857 nan 8.150 nan 0.000 0.484 718 R N 0.994 121.513 120.500 0.032 0.000 2.480 718 R HA 0.524 4.864 4.340 0.000 0.000 0.306 718 R C 0.218 176.536 176.300 0.030 0.000 0.958 718 R CA 0.201 56.322 56.100 0.034 0.000 0.861 718 R CB 1.739 32.068 30.300 0.048 0.000 1.171 718 R HN 0.810 nan 8.270 nan 0.000 0.445 719 T N 0.728 115.295 114.554 0.021 0.000 2.989 719 T HA 0.320 4.670 4.350 0.000 0.000 0.250 719 T C 0.620 175.331 174.700 0.017 0.000 0.981 719 T CA 0.853 62.962 62.100 0.015 0.000 0.980 719 T CB 0.501 69.372 68.868 0.006 0.000 1.133 719 T HN 0.672 nan 8.240 nan 0.000 0.489 720 G N 0.720 109.531 108.800 0.018 0.000 2.573 720 G HA2 0.248 4.208 3.960 0.000 0.000 0.178 720 G HA3 0.248 4.208 3.960 0.000 0.000 0.178 720 G C 0.437 175.349 174.900 0.020 0.000 1.706 720 G CA -0.044 45.067 45.100 0.018 0.000 0.760 720 G HN 0.296 nan 8.290 nan 0.000 0.778 721 N N 0.705 119.415 118.700 0.017 0.000 2.177 721 N HA 0.223 4.963 4.740 0.000 0.000 0.218 721 N C -0.556 174.964 175.510 0.016 0.000 1.182 721 N CA 0.080 53.140 53.050 0.017 0.000 0.882 721 N CB 1.303 39.798 38.487 0.015 0.000 1.052 721 N HN 0.163 nan 8.380 nan 0.000 0.519 722 T N 2.057 116.620 114.554 0.016 0.000 2.733 722 T HA 0.354 4.704 4.350 0.000 0.000 0.294 722 T C 0.170 174.880 174.700 0.017 0.000 0.956 722 T CA -0.430 61.679 62.100 0.015 0.000 0.987 722 T CB 1.298 70.173 68.868 0.012 0.000 0.920 722 T HN 0.062 nan 8.240 nan 0.000 0.470 723 I N 3.065 123.647 120.570 0.019 0.000 2.354 723 I HA 0.460 4.630 4.170 0.000 0.000 0.292 723 I C -0.644 175.485 176.117 0.019 0.000 0.989 723 I CA -0.455 60.857 61.300 0.020 0.000 1.188 723 I CB 1.436 39.450 38.000 0.023 0.000 1.342 723 I HN 0.446 nan 8.210 nan 0.000 0.457 724 T N 6.879 121.442 114.554 0.015 0.000 2.767 724 T HA 0.460 4.810 4.350 0.000 0.000 0.288 724 T C -0.074 174.633 174.700 0.012 0.000 0.963 724 T CA -0.437 61.672 62.100 0.014 0.000 1.019 724 T CB 1.662 70.534 68.868 0.008 0.000 0.923 724 T HN 0.429 nan 8.240 nan 0.000 0.468 725 V N 4.474 124.404 119.914 0.026 0.000 2.384 725 V HA 0.599 4.719 4.120 0.000 0.000 0.287 725 V C 0.344 176.460 176.094 0.035 0.000 1.020 725 V CA -0.804 61.514 62.300 0.029 0.000 0.850 725 V CB 1.421 33.290 31.823 0.076 0.000 0.987 725 V HN 1.132 nan 8.190 nan 0.000 0.436 726 T N 1.452 115.996 114.554 -0.017 0.000 2.861 726 T HA 0.801 5.151 4.350 0.000 0.000 0.287 726 T C -0.011 174.619 174.700 -0.117 0.000 1.003 726 T CA -0.572 61.513 62.100 -0.025 0.000 0.977 726 T CB 1.892 70.736 68.868 -0.040 0.000 0.996 726 T HN 0.839 nan 8.240 nan 0.000 0.448 727 G N 0.401 109.160 108.800 -0.068 0.000 2.432 727 G HA2 0.744 4.704 3.960 0.000 0.000 0.331 727 G HA3 0.744 4.704 3.960 0.000 0.000 0.331 727 G C -1.026 173.721 174.900 -0.255 0.000 1.170 727 G CA -1.068 43.871 45.100 -0.269 0.000 0.943 727 G HN 1.227 nan 8.290 nan 0.000 0.483 728 A N 0.349 122.844 122.820 -0.541 0.000 2.442 728 A HA 0.960 5.280 4.320 0.000 0.000 0.284 728 A C 0.277 177.708 177.584 -0.255 0.000 1.058 728 A CA 0.401 52.279 52.037 -0.265 0.000 0.738 728 A CB 0.997 19.870 19.000 -0.211 0.000 1.242 728 A HN 2.586 nan 8.150 nan 0.000 0.421 729 G N 0.847 109.681 108.800 0.057 0.000 2.352 729 G HA2 0.226 4.186 3.960 0.000 0.000 0.324 729 G HA3 0.226 4.186 3.960 0.000 0.000 0.324 729 G C -0.545 174.594 174.900 0.399 0.000 1.249 729 G CA -0.182 45.031 45.100 0.188 0.000 1.053 729 G HN 1.175 nan 8.290 nan 0.000 0.492 730 E N 0.288 120.657 120.200 0.282 0.000 2.167 730 E HA 0.625 4.975 4.350 0.000 0.000 0.284 730 E C 0.085 176.722 176.600 0.061 0.000 1.016 730 E CA 0.002 56.502 56.400 0.167 0.000 0.817 730 E CB 0.825 30.546 29.700 0.035 0.000 1.080 730 E HN 1.519 nan 8.360 nan 0.000 0.397 731 A N 4.074 126.853 122.820 -0.069 0.000 2.606 731 A HA 0.682 5.002 4.320 0.000 0.000 0.293 731 A C -1.572 176.094 177.584 0.137 0.000 1.082 731 A CA -0.919 51.028 52.037 -0.150 0.000 0.685 731 A CB 1.832 20.181 19.000 -1.084 0.000 1.284 731 A HN 0.452 nan 8.150 nan 0.000 0.408 732 K N 1.354 121.878 120.400 0.206 0.000 2.443 732 K HA 0.475 4.795 4.320 0.000 0.000 0.252 732 K C -0.079 176.620 176.600 0.164 0.000 0.933 732 K CA -0.176 56.206 56.287 0.157 0.000 0.792 732 K CB 1.145 33.691 32.500 0.078 0.000 1.185 732 K HN 0.886 nan 8.250 nan 0.000 0.425 733 N N 2.979 121.706 118.700 0.046 0.000 2.756 733 N HA -0.140 4.600 4.740 0.000 0.000 0.248 733 N C -0.891 174.668 175.510 0.082 0.000 1.062 733 N CA 0.209 53.254 53.050 -0.008 0.000 0.696 733 N CB -0.192 38.299 38.487 0.007 0.000 0.946 733 N HN 0.604 nan 8.380 nan 0.000 0.548 734 W N -0.110 121.205 121.300 0.024 0.000 2.578 734 W HA 0.739 5.399 4.660 0.000 0.000 0.364 734 W C -0.633 175.949 176.519 0.106 0.000 1.144 734 W CA -0.643 56.748 57.345 0.077 0.000 1.242 734 W CB 0.718 30.300 29.460 0.202 0.000 1.382 734 W HN -0.083 nan 8.180 nan 0.000 0.625 735 T N 2.458 117.345 114.554 0.554 0.000 2.909 735 T HA 0.430 4.780 4.350 0.000 0.000 0.299 735 T C -1.200 173.785 174.700 0.475 0.000 1.073 735 T CA -0.710 61.584 62.100 0.323 0.000 0.999 735 T CB 1.870 70.813 68.868 0.124 0.000 1.098 735 T HN 0.406 nan 8.240 nan 0.000 0.477 736 L N 2.822 124.226 121.223 0.301 0.000 2.342 736 L HA 0.570 4.910 4.340 0.000 0.000 0.276 736 L C -0.667 176.232 176.870 0.047 0.000 0.997 736 L CA -0.565 54.419 54.840 0.241 0.000 0.838 736 L CB 0.666 42.895 42.059 0.284 0.000 1.224 736 L HN 0.822 nan 8.230 nan 0.000 0.416 737 C N 6.732 125.977 119.300 -0.092 0.000 2.285 737 C HA 0.448 4.908 4.460 0.000 0.000 0.335 737 C C 0.293 175.237 174.990 -0.077 0.000 1.267 737 C CA -0.706 58.245 59.018 -0.112 0.000 1.762 737 C CB -0.169 27.453 27.740 -0.197 0.000 2.365 737 C HN 0.759 nan 8.230 nan 0.000 0.527 738 L N 8.075 129.274 121.223 -0.040 0.000 2.302 738 L HA 0.375 4.715 4.340 0.000 0.000 0.285 738 L C 0.720 177.549 176.870 -0.069 0.000 1.090 738 L CA -0.147 54.665 54.840 -0.047 0.000 0.866 738 L CB -0.217 41.834 42.059 -0.013 0.000 1.244 738 L HN 0.615 nan 8.230 nan 0.000 0.435 739 R N 3.503 123.907 120.500 -0.160 0.000 2.570 739 R HA -0.009 4.331 4.340 0.000 0.000 0.277 739 R C 0.595 176.862 176.300 -0.055 0.000 1.039 739 R CA 0.102 56.103 56.100 -0.165 0.000 1.065 739 R CB 0.151 30.183 30.300 -0.446 0.000 0.964 739 R HN 0.617 nan 8.270 nan 0.000 0.428 740 N N -0.307 118.391 118.700 -0.003 0.000 2.741 740 N HA -0.172 4.568 4.740 0.000 0.000 0.251 740 N C -0.995 174.528 175.510 0.022 0.000 1.112 740 N CA 0.923 53.990 53.050 0.028 0.000 0.750 740 N CB -0.914 37.604 38.487 0.052 0.000 1.119 740 N HN 0.253 nan 8.380 nan 0.000 0.561 741 V N 1.386 121.306 119.914 0.011 0.000 2.350 741 V HA 0.248 4.368 4.120 0.000 0.000 0.285 741 V C 1.636 177.739 176.094 0.015 0.000 1.014 741 V CA -0.433 61.874 62.300 0.012 0.000 0.831 741 V CB 1.750 33.577 31.823 0.006 0.000 1.000 741 V HN 0.078 nan 8.190 nan 0.000 0.433 742 V N 1.946 121.870 119.914 0.018 0.000 2.446 742 V HA 0.270 4.390 4.120 0.000 0.000 0.244 742 V C 0.787 176.890 176.094 0.015 0.000 1.039 742 V CA 0.872 63.183 62.300 0.018 0.000 1.045 742 V CB -0.251 31.584 31.823 0.020 0.000 0.681 742 V HN 0.650 nan 8.190 nan 0.000 0.459 743 K N -0.093 120.316 120.400 0.014 0.000 2.427 743 K HA 0.653 4.973 4.320 0.000 0.000 0.252 743 K C -1.500 175.107 176.600 0.011 0.000 0.931 743 K CA -0.508 55.786 56.287 0.012 0.000 0.793 743 K CB 2.903 35.410 32.500 0.012 0.000 1.211 743 K HN 0.136 nan 8.250 nan 0.000 0.426 744 V N 2.778 122.698 119.914 0.010 0.000 2.834 744 V HA 0.201 4.321 4.120 0.000 0.000 0.313 744 V C 0.582 176.681 176.094 0.009 0.000 1.060 744 V CA -0.187 62.119 62.300 0.010 0.000 0.989 744 V CB 1.710 33.539 31.823 0.010 0.000 1.041 744 V HN 0.923 nan 8.190 nan 0.000 0.459 745 N N 1.938 120.644 118.700 0.009 0.000 2.368 745 N HA 0.286 5.026 4.740 0.000 0.000 0.176 745 N C 0.182 175.696 175.510 0.007 0.000 1.021 745 N CA 1.088 54.143 53.050 0.008 0.000 0.888 745 N CB 0.307 38.799 38.487 0.008 0.000 0.995 745 N HN 0.938 nan 8.380 nan 0.000 0.437 746 G N -0.701 108.103 108.800 0.007 0.000 2.667 746 G HA2 0.508 4.468 3.960 0.000 0.000 0.294 746 G HA3 0.508 4.468 3.960 0.000 0.000 0.294 746 G C -2.119 172.785 174.900 0.007 0.000 1.467 746 G CA -0.593 44.511 45.100 0.006 0.000 0.852 746 G HN 0.059 nan 8.290 nan 0.000 0.521 747 L N 1.827 123.052 121.223 0.004 0.000 2.491 747 L HA 0.370 4.710 4.340 0.000 0.000 0.267 747 L C -0.754 176.117 176.870 0.002 0.000 0.971 747 L CA -0.891 53.951 54.840 0.004 0.000 0.857 747 L CB 2.076 44.135 42.059 0.001 0.000 1.226 747 L HN 0.542 nan 8.230 nan 0.000 0.408 748 Q N 2.551 122.354 119.800 0.005 0.000 2.257 748 Q HA 0.301 4.641 4.340 0.000 0.000 0.255 748 Q C -0.534 175.467 176.000 0.001 0.000 0.920 748 Q CA -0.557 55.248 55.803 0.003 0.000 0.927 748 Q CB 1.727 30.468 28.738 0.005 0.000 1.229 748 Q HN 0.539 nan 8.270 nan 0.000 0.433 749 D N 0.384 120.781 120.400 -0.005 0.000 3.068 749 D HA -0.121 4.519 4.640 0.000 0.000 0.218 749 D C -0.186 176.098 176.300 -0.026 0.000 1.145 749 D CA 1.713 55.706 54.000 -0.011 0.000 0.896 749 D CB -1.227 39.573 40.800 -0.000 0.000 1.105 749 D HN 0.845 nan 8.370 nan 0.000 0.423 750 G N -0.872 107.913 108.800 -0.026 0.000 2.733 750 G HA2 0.576 4.536 3.960 0.000 0.000 0.297 750 G HA3 0.576 4.536 3.960 0.000 0.000 0.297 750 G C -0.397 174.483 174.900 -0.034 0.000 1.422 750 G CA -0.034 45.042 45.100 -0.041 0.000 0.942 750 G HN 0.301 nan 8.290 nan 0.000 0.510 751 S N 0.031 115.704 115.700 -0.044 0.000 2.616 751 S HA 0.683 5.153 4.470 0.000 0.000 0.277 751 S C -0.079 174.506 174.600 -0.026 0.000 1.234 751 S CA -0.646 57.534 58.200 -0.033 0.000 1.028 751 S CB 1.573 64.750 63.200 -0.038 0.000 0.988 751 S HN 0.949 nan 8.310 nan 0.000 0.522 752 Q N 0.560 120.351 119.800 -0.016 0.000 2.387 752 Q HA 0.816 5.157 4.340 0.000 0.000 0.273 752 Q C -1.275 174.722 176.000 -0.005 0.000 1.089 752 Q CA -1.472 54.326 55.803 -0.008 0.000 0.824 752 Q CB 2.050 30.787 28.738 -0.002 0.000 1.367 752 Q HN 0.928 nan 8.270 nan 0.000 0.443 753 A N 1.716 124.535 122.820 -0.001 0.000 2.488 753 A HA 0.427 4.747 4.320 0.000 0.000 0.298 753 A C -1.057 176.533 177.584 0.009 0.000 1.044 753 A CA -0.816 51.223 52.037 0.003 0.000 0.693 753 A CB 1.542 20.543 19.000 0.001 0.000 1.272 753 A HN 0.803 nan 8.150 nan 0.000 0.402 754 E N 0.969 121.177 120.200 0.012 0.000 2.392 754 E HA 0.400 4.750 4.350 0.000 0.000 0.264 754 E C 0.377 176.991 176.600 0.024 0.000 1.024 754 E CA 0.428 56.839 56.400 0.018 0.000 0.903 754 E CB 0.811 30.521 29.700 0.018 0.000 0.963 754 E HN 0.746 nan 8.360 nan 0.000 0.432 755 S N 0.627 116.345 115.700 0.031 0.000 2.661 755 S HA 0.146 4.616 4.470 0.000 0.000 0.285 755 S C 0.789 175.419 174.600 0.049 0.000 1.138 755 S CA -0.760 57.465 58.200 0.042 0.000 0.855 755 S CB 1.381 64.612 63.200 0.052 0.000 1.136 755 S HN 0.626 nan 8.310 nan 0.000 0.484 756 E N 0.650 120.885 120.200 0.059 0.000 2.160 756 E HA -0.225 4.125 4.350 0.000 0.000 0.195 756 E C 1.453 178.096 176.600 0.072 0.000 0.991 756 E CA 1.290 57.729 56.400 0.065 0.000 0.810 756 E CB -0.520 29.224 29.700 0.073 0.000 0.742 756 E HN 0.753 nan 8.360 nan 0.000 0.466 757 Q N 0.786 120.635 119.800 0.082 0.000 2.432 757 Q HA 0.191 4.531 4.340 0.000 0.000 0.205 757 Q C 0.595 176.628 176.000 0.054 0.000 0.945 757 Q CA 0.437 56.290 55.803 0.084 0.000 0.924 757 Q CB 0.797 29.604 28.738 0.115 0.000 1.016 757 Q HN 0.366 nan 8.270 nan 0.000 0.503 758 G N 0.534 109.361 108.800 0.045 0.000 2.371 758 G HA2 -0.084 3.876 3.960 0.000 0.000 0.663 758 G HA3 -0.084 3.876 3.960 0.000 0.000 0.663 758 G C -1.639 173.274 174.900 0.021 0.000 1.311 758 G CA -1.187 43.929 45.100 0.026 0.000 0.985 758 G HN 0.008 nan 8.290 nan 0.000 0.566 759 L N 0.241 121.472 121.223 0.013 0.000 2.584 759 L HA 0.383 4.723 4.340 0.000 0.000 0.272 759 L C 0.895 177.769 176.870 0.006 0.000 1.195 759 L CA 0.190 55.037 54.840 0.010 0.000 0.920 759 L CB 0.857 42.921 42.059 0.009 0.000 1.173 759 L HN 0.537 nan 8.230 nan 0.000 0.489 760 V N 6.351 126.269 119.914 0.008 0.000 2.385 760 V HA 0.279 4.399 4.120 0.000 0.000 0.269 760 V C 0.138 176.235 176.094 0.005 0.000 1.043 760 V CA -0.643 61.659 62.300 0.005 0.000 0.906 760 V CB 1.344 33.171 31.823 0.007 0.000 0.995 760 V HN 0.433 nan 8.190 nan 0.000 0.467 761 V N 5.186 125.109 119.914 0.016 0.000 2.427 761 V HA 0.480 4.600 4.120 0.000 0.000 0.286 761 V C 0.030 176.116 176.094 -0.013 0.000 1.034 761 V CA -0.740 61.565 62.300 0.008 0.000 0.893 761 V CB 1.812 33.651 31.823 0.027 0.000 0.982 761 V HN 0.847 nan 8.190 nan 0.000 0.452 762 K N 7.928 128.290 120.400 -0.062 0.000 2.358 762 K HA 0.553 4.873 4.320 0.000 0.000 0.260 762 K C -2.695 173.789 176.600 -0.195 0.000 0.956 762 K CA -2.082 54.119 56.287 -0.144 0.000 0.834 762 K CB 1.925 34.355 32.500 -0.116 0.000 1.102 762 K HN 0.348 nan 8.250 nan 0.000 0.431 763 P HA 0.125 nan 4.420 nan 0.000 0.274 763 P C -1.410 175.753 177.300 -0.228 0.000 1.237 763 P CA -0.234 62.681 63.100 -0.308 0.000 0.793 763 P CB 0.858 32.207 31.700 -0.585 0.000 0.977 764 Q N 0.213 119.937 119.800 -0.127 0.000 2.281 764 Q HA 0.462 4.802 4.340 0.000 0.000 0.263 764 Q C 0.360 176.339 176.000 -0.036 0.000 0.989 764 Q CA -0.510 55.243 55.803 -0.084 0.000 0.852 764 Q CB 1.364 30.061 28.738 -0.068 0.000 1.337 764 Q HN 0.751 nan 8.270 nan 0.000 0.418 765 G N 2.461 111.251 108.800 -0.016 0.000 2.377 765 G HA2 -0.382 3.578 3.960 0.000 0.000 0.250 765 G HA3 -0.382 3.578 3.960 0.000 0.000 0.250 765 G C 0.217 175.136 174.900 0.031 0.000 1.039 765 G CA 0.305 45.410 45.100 0.009 0.000 0.625 765 G HN 0.812 nan 8.290 nan 0.000 0.526 766 N N -1.699 117.024 118.700 0.037 0.000 2.372 766 N HA 0.159 4.899 4.740 0.000 0.000 0.282 766 N C 0.553 176.089 175.510 0.043 0.000 1.425 766 N CA 1.852 54.939 53.050 0.063 0.000 0.663 766 N CB -1.064 37.485 38.487 0.103 0.000 0.903 766 N HN 1.687 nan 8.380 nan 0.000 0.495 767 A N 2.327 125.170 122.820 0.038 0.000 2.377 767 A HA 0.300 4.620 4.320 0.000 0.000 0.209 767 A C 1.289 178.898 177.584 0.042 0.000 1.359 767 A CA 0.195 52.252 52.037 0.033 0.000 1.026 767 A CB 0.203 19.215 19.000 0.021 0.000 1.224 767 A HN 0.661 nan 8.150 nan 0.000 0.528 768 L N 1.622 122.873 121.223 0.047 0.000 4.571 768 L HA -0.217 4.123 4.340 0.000 0.000 0.543 768 L C 0.882 177.777 176.870 0.042 0.000 0.906 768 L CA 1.237 56.107 54.840 0.049 0.000 0.931 768 L CB -1.457 40.660 42.059 0.098 0.000 1.866 768 L HN 0.597 nan 8.230 nan 0.000 1.040 769 T N 0.042 114.614 114.554 0.030 0.000 2.928 769 T HA 0.339 4.689 4.350 0.000 0.000 0.305 769 T C -0.039 174.673 174.700 0.021 0.000 1.035 769 T CA -0.160 61.955 62.100 0.025 0.000 1.145 769 T CB 0.522 69.401 68.868 0.018 0.000 0.963 769 T HN 0.366 nan 8.240 nan 0.000 0.545 770 I N 2.249 122.832 120.570 0.021 0.000 2.569 770 I HA 0.677 4.847 4.170 0.000 0.000 0.296 770 I C -0.543 175.584 176.117 0.016 0.000 1.028 770 I CA -0.353 60.958 61.300 0.018 0.000 1.082 770 I CB 2.571 40.584 38.000 0.021 0.000 1.264 770 I HN 0.510 nan 8.210 nan 0.000 0.429 771 T N 7.379 121.941 114.554 0.013 0.000 2.772 771 T HA 0.517 4.867 4.350 0.000 0.000 0.288 771 T C 0.037 174.744 174.700 0.012 0.000 0.994 771 T CA -0.431 61.677 62.100 0.012 0.000 0.951 771 T CB 0.672 69.546 68.868 0.010 0.000 0.933 771 T HN 0.474 nan 8.240 nan 0.000 0.447 772 L N 2.938 124.169 121.223 0.014 0.000 2.452 772 L HA 0.369 4.709 4.340 0.000 0.000 0.267 772 L C 1.951 178.829 176.870 0.012 0.000 1.188 772 L CA -0.591 54.258 54.840 0.014 0.000 0.821 772 L CB -0.089 41.980 42.059 0.015 0.000 1.102 772 L HN 0.971 nan 8.230 nan 0.000 0.470 773 H N 0.000 119.077 119.070 0.012 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.055 56.048 0.012 0.000 1.023 773 H CB 0.000 29.769 29.762 0.012 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496