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 3lq2_1_A DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDA PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.135 176.117 0.029 0.000 1.063 56 I CA 0.000 61.315 61.300 0.025 0.000 1.566 56 I CB 0.000 38.019 38.000 0.032 0.000 1.214 57 S N 4.066 119.783 115.700 0.028 0.000 2.671 57 S HA 0.475 4.944 4.470 -0.002 0.000 0.272 57 S C 0.066 174.702 174.600 0.059 0.000 1.174 57 S CA -0.803 57.416 58.200 0.031 0.000 1.004 57 S CB 0.777 63.985 63.200 0.014 0.000 1.077 57 S HN 0.565 nan 8.310 nan 0.000 0.553 58 N N 0.133 118.872 118.700 0.065 0.000 2.415 58 N HA 0.040 4.779 4.740 -0.002 0.000 0.248 58 N C -0.751 174.850 175.510 0.152 0.000 1.271 58 N CA 0.075 53.191 53.050 0.110 0.000 0.913 58 N CB -0.139 38.405 38.487 0.094 0.000 1.129 58 N HN 0.703 nan 8.380 nan 0.000 0.444 59 Y N 1.893 122.232 120.300 0.065 0.000 3.028 59 Y HA 0.199 4.748 4.550 -0.002 0.000 0.381 59 Y C 0.334 176.336 175.900 0.170 0.000 1.139 59 Y CA -0.202 57.943 58.100 0.074 0.000 2.013 59 Y CB -0.857 37.688 38.460 0.143 0.000 2.146 59 Y HN 0.323 nan 8.280 nan 0.000 0.412 60 I N -2.741 117.845 120.570 0.026 0.000 3.343 60 I HA 0.526 4.695 4.170 -0.002 0.000 0.315 60 I C -0.606 175.458 176.117 -0.088 0.000 1.153 60 I CA -1.638 59.713 61.300 0.084 0.000 0.952 60 I CB 1.338 39.428 38.000 0.150 0.000 1.287 60 I HN -0.204 nan 8.210 nan 0.000 0.472 61 N N 1.526 120.205 118.700 -0.034 0.000 2.454 61 N HA 0.110 4.849 4.740 -0.002 0.000 0.254 61 N C 0.734 176.209 175.510 -0.060 0.000 1.228 61 N CA 0.053 53.049 53.050 -0.089 0.000 0.900 61 N CB 0.965 39.438 38.487 -0.023 0.000 1.089 61 N HN 0.675 nan 8.380 nan 0.000 0.449 62 T N 1.112 115.613 114.554 -0.088 0.000 2.857 62 T HA 0.074 4.423 4.350 -0.002 0.000 0.266 62 T C 1.055 175.734 174.700 -0.034 0.000 1.048 62 T CA 0.743 62.805 62.100 -0.064 0.000 1.139 62 T CB 0.032 68.847 68.868 -0.087 0.000 0.874 62 T HN 0.414 nan 8.240 nan 0.000 0.455 63 I N 4.251 124.802 120.570 -0.031 0.000 2.281 63 I HA 0.213 4.383 4.170 -0.002 0.000 0.293 63 I C -2.097 174.034 176.117 0.023 0.000 1.085 63 I CA -2.386 58.911 61.300 -0.004 0.000 1.257 63 I CB 0.878 38.876 38.000 -0.003 0.000 1.430 63 I HN 0.028 nan 8.210 nan 0.000 0.489 64 P HA -0.045 nan 4.420 nan 0.000 0.269 64 P C 0.993 178.331 177.300 0.063 0.000 1.215 64 P CA -0.052 63.080 63.100 0.052 0.000 0.780 64 P CB 1.793 33.521 31.700 0.047 0.000 0.898 65 V N 1.998 121.961 119.914 0.080 0.000 2.453 65 V HA -0.275 3.844 4.120 -0.002 0.000 0.252 65 V C 2.030 178.168 176.094 0.073 0.000 1.068 65 V CA 2.268 64.620 62.300 0.086 0.000 1.070 65 V CB -1.106 30.777 31.823 0.099 0.000 0.664 65 V HN 0.495 nan 8.190 nan 0.000 0.461 66 E N 0.191 120.429 120.200 0.063 0.000 2.265 66 E HA -0.165 4.184 4.350 -0.002 0.000 0.196 66 E C 1.853 178.483 176.600 0.050 0.000 0.996 66 E CA 1.347 57.779 56.400 0.054 0.000 0.832 66 E CB -0.119 29.609 29.700 0.046 0.000 0.756 66 E HN 0.761 nan 8.360 nan 0.000 0.491 67 E N -0.119 120.112 120.200 0.051 0.000 2.548 67 E HA 0.055 4.404 4.350 -0.002 0.000 0.206 67 E C -0.140 176.497 176.600 0.061 0.000 1.005 67 E CA -0.188 56.241 56.400 0.047 0.000 0.951 67 E CB 0.461 30.181 29.700 0.034 0.000 1.035 67 E HN 0.129 nan 8.360 nan 0.000 0.470 68 Q N 3.054 122.900 119.800 0.076 0.000 2.337 68 Q HA 0.164 4.503 4.340 -0.002 0.000 0.255 68 Q C -2.127 173.949 176.000 0.127 0.000 0.997 68 Q CA -2.100 53.767 55.803 0.105 0.000 0.925 68 Q CB 0.641 29.445 28.738 0.110 0.000 1.212 68 Q HN -0.054 nan 8.270 nan 0.000 0.436 69 P HA 0.005 nan 4.420 nan 0.000 0.269 69 P C -0.569 176.835 177.300 0.173 0.000 1.215 69 P CA -0.027 63.180 63.100 0.179 0.000 0.780 69 P CB 0.713 32.565 31.700 0.254 0.000 0.898 70 E N 0.727 120.985 120.200 0.097 0.000 2.392 70 E HA -0.002 4.347 4.350 -0.002 0.000 0.264 70 E C -0.506 176.054 176.600 -0.065 0.000 1.024 70 E CA -0.064 56.363 56.400 0.044 0.000 0.903 70 E CB 0.109 29.817 29.700 0.012 0.000 0.963 70 E HN 0.384 nan 8.360 nan 0.000 0.432 71 Y N 5.502 125.674 120.300 -0.213 0.000 2.436 71 Y HA 0.077 4.626 4.550 -0.002 0.000 0.336 71 Y C -1.133 174.511 175.900 -0.425 0.000 1.049 71 Y CA -1.621 56.202 58.100 -0.462 0.000 1.294 71 Y CB 0.858 39.166 38.460 -0.252 0.000 1.179 71 Y HN 0.372 nan 8.280 nan 0.000 0.520 72 P HA 0.089 nan 4.420 nan 0.000 0.241 72 P C 0.333 177.354 177.300 -0.465 0.000 1.191 72 P CA 0.542 63.234 63.100 -0.679 0.000 0.771 72 P CB 0.428 31.693 31.700 -0.725 0.000 0.929 73 G N 0.489 108.932 108.800 -0.595 0.000 2.521 73 G HA2 0.208 4.167 3.960 -0.002 0.000 0.323 73 G HA3 0.208 4.167 3.960 -0.002 0.000 0.323 73 G C -0.724 174.350 174.900 0.289 0.000 1.211 73 G CA -0.468 44.698 45.100 0.110 0.000 0.979 73 G HN 0.009 nan 8.290 nan 0.000 0.490 74 N N 0.864 119.727 118.700 0.272 0.000 2.482 74 N HA 0.111 4.850 4.740 -0.002 0.000 0.242 74 N C 1.609 177.145 175.510 0.044 0.000 1.100 74 N CA -0.292 52.807 53.050 0.082 0.000 0.946 74 N CB 0.716 39.151 38.487 -0.086 0.000 1.227 74 N HN 0.398 nan 8.380 nan 0.000 0.508 75 L N 2.474 123.753 121.223 0.094 0.000 1.990 75 L HA -0.219 4.120 4.340 -0.002 0.000 0.213 75 L C 1.985 178.844 176.870 -0.019 0.000 1.072 75 L CA 1.529 56.385 54.840 0.027 0.000 0.755 75 L CB -0.207 41.833 42.059 -0.032 0.000 0.889 75 L HN 0.560 nan 8.230 nan 0.000 0.432 76 E N -0.193 119.987 120.200 -0.033 0.000 2.038 76 E HA -0.279 4.070 4.350 -0.002 0.000 0.195 76 E C 2.101 178.649 176.600 -0.087 0.000 1.000 76 E CA 1.307 57.682 56.400 -0.042 0.000 0.803 76 E CB -0.215 29.462 29.700 -0.038 0.000 0.750 76 E HN 0.225 nan 8.360 nan 0.000 0.448 77 L N 1.655 122.772 121.223 -0.177 0.000 2.056 77 L HA -0.168 4.171 4.340 -0.002 0.000 0.207 77 L C 1.881 178.567 176.870 -0.307 0.000 1.078 77 L CA 1.795 56.457 54.840 -0.297 0.000 0.749 77 L CB -0.315 41.441 42.059 -0.504 0.000 0.901 77 L HN 0.064 nan 8.230 nan 0.000 0.433 78 E N -0.845 119.180 120.200 -0.292 0.000 2.110 78 E HA -0.272 4.077 4.350 -0.002 0.000 0.193 78 E C 2.273 178.874 176.600 0.002 0.000 0.988 78 E CA 1.106 57.441 56.400 -0.109 0.000 0.804 78 E CB -0.184 29.553 29.700 0.062 0.000 0.745 78 E HN 0.432 nan 8.360 nan 0.000 0.458 79 R N 1.041 121.546 120.500 0.008 0.000 2.115 79 R HA -0.065 4.275 4.340 -0.002 0.000 0.226 79 R C 2.244 178.592 176.300 0.081 0.000 1.100 79 R CA 0.887 57.026 56.100 0.066 0.000 0.980 79 R CB 0.080 30.424 30.300 0.073 0.000 0.875 79 R HN 0.004 nan 8.270 nan 0.000 0.445 80 R N 0.114 120.635 120.500 0.035 0.000 2.075 80 R HA -0.061 4.278 4.340 -0.002 0.000 0.232 80 R C 2.248 178.643 176.300 0.159 0.000 1.126 80 R CA 1.578 57.722 56.100 0.073 0.000 0.963 80 R CB -0.187 30.110 30.300 -0.006 0.000 0.858 80 R HN 0.272 nan 8.270 nan 0.000 0.435 81 I N -0.207 120.413 120.570 0.084 0.000 2.202 81 I HA -0.270 3.899 4.170 -0.002 0.000 0.242 81 I C 2.665 178.918 176.117 0.227 0.000 1.091 81 I CA 1.106 62.521 61.300 0.193 0.000 1.368 81 I CB -0.261 37.782 38.000 0.070 0.000 1.058 81 I HN 0.129 nan 8.210 nan 0.000 0.410 82 R N 0.727 121.318 120.500 0.153 0.000 2.105 82 R HA -0.167 4.172 4.340 -0.002 0.000 0.239 82 R C 2.366 178.737 176.300 0.119 0.000 1.135 82 R CA 1.890 58.073 56.100 0.139 0.000 0.967 82 R CB -0.110 30.258 30.300 0.112 0.000 0.861 82 R HN 0.201 nan 8.270 nan 0.000 0.442 83 S N 0.007 115.786 115.700 0.131 0.000 2.399 83 S HA -0.093 4.376 4.470 -0.002 0.000 0.231 83 S C 1.846 176.554 174.600 0.181 0.000 1.022 83 S CA 1.048 59.317 58.200 0.116 0.000 0.983 83 S CB -0.052 63.258 63.200 0.183 0.000 0.803 83 S HN 0.574 nan 8.310 nan 0.000 0.480 84 A N 1.287 124.244 122.820 0.229 0.000 1.929 84 A HA 0.055 4.374 4.320 -0.002 0.000 0.216 84 A C 2.007 179.734 177.584 0.238 0.000 1.176 84 A CA 0.864 53.028 52.037 0.211 0.000 0.628 84 A CB -0.547 18.536 19.000 0.139 0.000 0.816 84 A HN 0.484 nan 8.150 nan 0.000 0.444 85 I N -0.917 119.787 120.570 0.222 0.000 2.252 85 I HA -0.244 3.925 4.170 -0.002 0.000 0.245 85 I C 2.746 179.021 176.117 0.263 0.000 1.102 85 I CA 1.200 62.629 61.300 0.214 0.000 1.385 85 I CB -0.394 37.739 38.000 0.222 0.000 1.064 85 I HN 0.287 nan 8.210 nan 0.000 0.414 86 R N 0.098 120.740 120.500 0.237 0.000 2.091 86 R HA -0.230 4.109 4.340 -0.002 0.000 0.238 86 R C 2.256 178.670 176.300 0.189 0.000 1.136 86 R CA 1.956 58.164 56.100 0.180 0.000 0.959 86 R CB -0.523 29.667 30.300 -0.184 0.000 0.856 86 R HN 0.571 nan 8.270 nan 0.000 0.437 87 W N 2.148 123.470 121.300 0.037 0.000 2.354 87 W HA -0.184 4.475 4.660 -0.002 0.000 0.315 87 W C 1.255 177.806 176.519 0.053 0.000 1.206 87 W CA 1.337 58.711 57.345 0.048 0.000 1.290 87 W CB -0.340 29.149 29.460 0.050 0.000 1.152 87 W HN 0.103 nan 8.180 nan 0.000 0.489 88 N N 0.929 119.747 118.700 0.196 0.000 2.166 88 N HA -0.157 4.582 4.740 -0.002 0.000 0.186 88 N C 1.837 177.322 175.510 -0.043 0.000 1.019 88 N CA 2.058 55.175 53.050 0.111 0.000 0.856 88 N CB -0.977 37.637 38.487 0.211 0.000 0.993 88 N HN 0.207 nan 8.380 nan 0.000 0.426 89 A N 1.157 123.949 122.820 -0.046 0.000 1.902 89 A HA -0.061 4.258 4.320 -0.002 0.000 0.217 89 A C 2.331 179.818 177.584 -0.160 0.000 1.181 89 A CA 0.893 52.844 52.037 -0.143 0.000 0.623 89 A CB -0.581 18.353 19.000 -0.110 0.000 0.818 89 A HN 0.208 nan 8.150 nan 0.000 0.443 90 I N -0.783 119.704 120.570 -0.139 0.000 2.252 90 I HA -0.244 3.925 4.170 -0.002 0.000 0.245 90 I C 2.538 178.462 176.117 -0.321 0.000 1.102 90 I CA 1.035 62.217 61.300 -0.196 0.000 1.385 90 I CB -0.322 37.561 38.000 -0.196 0.000 1.064 90 I HN 0.254 nan 8.210 nan 0.000 0.414 91 M N 0.066 119.380 119.600 -0.477 0.000 2.159 91 M HA -0.158 4.321 4.480 -0.002 0.000 0.263 91 M C 2.412 178.533 176.300 -0.298 0.000 1.063 91 M CA 1.846 56.837 55.300 -0.515 0.000 1.110 91 M CB -1.663 30.517 32.600 -0.700 0.000 1.374 91 M HN 0.219 nan 8.290 nan 0.000 0.411 92 T N 0.824 115.282 114.554 -0.159 0.000 2.708 92 T HA -0.088 4.261 4.350 -0.002 0.000 0.266 92 T C 2.071 176.639 174.700 -0.220 0.000 1.037 92 T CA 1.472 63.480 62.100 -0.153 0.000 1.146 92 T CB -0.310 68.332 68.868 -0.376 0.000 0.865 92 T HN 0.163 nan 8.240 nan 0.000 0.435 93 V N 1.271 121.030 119.914 -0.259 0.000 2.358 93 V HA -0.046 4.073 4.120 -0.002 0.000 0.246 93 V C 2.474 178.548 176.094 -0.033 0.000 1.047 93 V CA 1.259 63.507 62.300 -0.087 0.000 1.035 93 V CB -0.614 31.174 31.823 -0.059 0.000 0.658 93 V HN 0.423 nan 8.190 nan 0.000 0.452 94 L N -0.617 120.540 121.223 -0.109 0.000 2.093 94 L HA -0.139 4.200 4.340 -0.002 0.000 0.208 94 L C 2.833 179.650 176.870 -0.088 0.000 1.085 94 L CA 1.532 56.309 54.840 -0.104 0.000 0.755 94 L CB -0.517 41.442 42.059 -0.167 0.000 0.904 94 L HN 0.250 nan 8.230 nan 0.000 0.435 95 R N -0.211 120.222 120.500 -0.112 0.000 2.081 95 R HA -0.129 4.210 4.340 -0.002 0.000 0.235 95 R C 2.397 178.687 176.300 -0.017 0.000 1.131 95 R CA 1.293 57.341 56.100 -0.086 0.000 0.960 95 R CB -0.425 29.809 30.300 -0.110 0.000 0.856 95 R HN 0.337 nan 8.270 nan 0.000 0.436 96 A N 0.431 123.278 122.820 0.044 0.000 1.902 96 A HA -0.193 4.126 4.320 -0.002 0.000 0.217 96 A C 2.201 179.805 177.584 0.033 0.000 1.181 96 A CA 1.880 53.969 52.037 0.088 0.000 0.623 96 A CB -0.609 18.543 19.000 0.253 0.000 0.818 96 A HN 0.314 nan 8.150 nan 0.000 0.443 97 S N -0.464 115.249 115.700 0.022 0.000 2.382 97 S HA -0.191 4.278 4.470 -0.002 0.000 0.228 97 S C 1.994 176.586 174.600 -0.014 0.000 1.027 97 S CA 1.804 60.005 58.200 0.000 0.000 0.991 97 S CB -0.339 62.857 63.200 -0.007 0.000 0.823 97 S HN 0.600 nan 8.310 nan 0.000 0.469 98 K N 0.665 121.051 120.400 -0.023 0.000 2.152 98 K HA -0.095 4.224 4.320 -0.002 0.000 0.206 98 K C 2.120 178.706 176.600 -0.023 0.000 1.048 98 K CA 1.396 57.666 56.287 -0.028 0.000 0.933 98 K CB -0.130 32.346 32.500 -0.040 0.000 0.721 98 K HN 0.386 nan 8.250 nan 0.000 0.447 99 K N 0.640 121.028 120.400 -0.021 0.000 2.280 99 K HA -0.164 4.155 4.320 -0.002 0.000 0.202 99 K C 0.219 176.807 176.600 -0.021 0.000 1.047 99 K CA 1.110 57.383 56.287 -0.022 0.000 0.942 99 K CB -0.176 32.310 32.500 -0.023 0.000 0.739 99 K HN 0.124 nan 8.250 nan 0.000 0.457 100 D N -0.192 120.197 120.400 -0.018 0.000 2.699 100 D HA -0.162 4.477 4.640 -0.002 0.000 0.239 100 D C -0.547 175.743 176.300 -0.017 0.000 1.136 100 D CA 0.439 54.429 54.000 -0.016 0.000 0.668 100 D CB -1.039 39.752 40.800 -0.015 0.000 1.060 100 D HN 0.202 nan 8.370 nan 0.000 0.429 101 L N 0.439 121.650 121.223 -0.020 0.000 3.066 101 L HA 0.220 4.559 4.340 -0.002 0.000 0.265 101 L C 0.577 177.432 176.870 -0.025 0.000 1.232 101 L CA -0.489 54.338 54.840 -0.023 0.000 1.031 101 L CB 0.310 42.352 42.059 -0.028 0.000 1.379 101 L HN 0.024 nan 8.230 nan 0.000 0.563 102 E N 0.715 120.902 120.200 -0.022 0.000 2.269 102 E HA -0.240 4.109 4.350 -0.002 0.000 0.223 102 E C 0.993 177.571 176.600 -0.036 0.000 1.244 102 E CA 0.489 56.875 56.400 -0.023 0.000 0.713 102 E CB -1.484 28.206 29.700 -0.016 0.000 1.178 102 E HN 0.570 nan 8.360 nan 0.000 0.370 103 L N -1.005 120.191 121.223 -0.046 0.000 2.179 103 L HA -0.010 4.329 4.340 -0.002 0.000 0.208 103 L C 1.617 178.429 176.870 -0.096 0.000 1.096 103 L CA 1.049 55.838 54.840 -0.084 0.000 0.779 103 L CB -0.408 41.592 42.059 -0.098 0.000 0.922 103 L HN 0.544 nan 8.230 nan 0.000 0.443 104 G N -0.442 108.326 108.800 -0.053 0.000 2.632 104 G HA2 0.158 4.117 3.960 -0.002 0.000 0.224 104 G HA3 0.158 4.117 3.960 -0.002 0.000 0.224 104 G C 0.042 174.935 174.900 -0.012 0.000 1.341 104 G CA -0.377 44.686 45.100 -0.061 0.000 0.880 104 G HN 0.904 nan 8.290 nan 0.000 0.566 105 G N -2.329 106.422 108.800 -0.081 0.000 2.528 105 G HA2 0.565 4.524 3.960 -0.002 0.000 0.681 105 G HA3 0.565 4.524 3.960 -0.002 0.000 0.681 105 G C -0.913 173.926 174.900 -0.102 0.000 1.340 105 G CA 0.426 45.584 45.100 0.097 0.000 0.855 105 G HN 1.794 nan 8.290 nan 0.000 0.649 106 H N 0.410 119.619 119.070 0.231 0.000 2.567 106 H HA 0.825 5.380 4.556 -0.002 0.000 0.345 106 H C 1.286 176.716 175.328 0.171 0.000 1.169 106 H CA -0.729 55.438 56.048 0.199 0.000 1.227 106 H CB 1.834 31.745 29.762 0.248 0.000 1.607 106 H HN 0.491 nan 8.280 nan 0.000 0.534 107 M N -0.149 119.624 119.600 0.288 0.000 2.274 107 M HA 0.230 4.709 4.480 -0.002 0.000 0.214 107 M C 2.081 178.544 176.300 0.271 0.000 1.526 107 M CA 0.655 56.098 55.300 0.238 0.000 1.043 107 M CB 0.240 32.930 32.600 0.150 0.000 1.505 107 M HN 0.631 nan 8.290 nan 0.000 0.561 108 A N 0.352 123.320 122.820 0.247 0.000 1.917 108 A HA -0.200 4.119 4.320 -0.002 0.000 0.219 108 A C 2.214 179.952 177.584 0.258 0.000 1.182 108 A CA 2.586 54.764 52.037 0.235 0.000 0.633 108 A CB -0.951 18.171 19.000 0.203 0.000 0.819 108 A HN 0.466 nan 8.150 nan 0.000 0.448 109 S N -1.601 114.273 115.700 0.290 0.000 2.348 109 S HA -0.168 4.301 4.470 -0.002 0.000 0.221 109 S C 1.770 176.562 174.600 0.320 0.000 1.033 109 S CA 1.687 60.068 58.200 0.302 0.000 1.010 109 S CB -0.510 62.898 63.200 0.347 0.000 0.891 109 S HN 0.634 nan 8.310 nan 0.000 0.442 110 F N 2.339 122.404 119.950 0.190 0.000 2.171 110 F HA -0.007 4.519 4.527 -0.002 0.000 0.300 110 F C 2.477 178.388 175.800 0.185 0.000 1.090 110 F CA 1.561 59.654 58.000 0.156 0.000 1.293 110 F CB -0.614 38.434 39.000 0.080 0.000 1.013 110 F HN 0.223 nan 8.300 nan 0.000 0.486 111 Q N 0.148 119.994 119.800 0.077 0.000 2.170 111 Q HA -0.164 4.175 4.340 -0.002 0.000 0.203 111 Q C 2.549 178.645 176.000 0.159 0.000 0.976 111 Q CA 1.811 57.643 55.803 0.047 0.000 0.858 111 Q CB -0.702 28.163 28.738 0.212 0.000 0.907 111 Q HN 0.588 nan 8.270 nan 0.000 0.433 112 S N -0.657 115.162 115.700 0.198 0.000 2.470 112 S HA -0.020 4.449 4.470 -0.002 0.000 0.225 112 S C 1.728 176.373 174.600 0.075 0.000 1.006 112 S CA 0.907 59.248 58.200 0.235 0.000 0.934 112 S CB 0.045 63.375 63.200 0.217 0.000 0.778 112 S HN 0.282 nan 8.310 nan 0.000 0.517 113 S N -0.122 115.616 115.700 0.062 0.000 2.603 113 S HA 0.630 5.099 4.470 -0.002 0.000 0.232 113 S C 1.655 176.315 174.600 0.100 0.000 1.016 113 S CA 0.104 58.358 58.200 0.089 0.000 0.976 113 S CB 0.190 63.551 63.200 0.269 0.000 0.921 113 S HN 0.585 nan 8.310 nan 0.000 0.516 114 A N 2.491 125.187 122.820 -0.207 0.000 1.917 114 A HA -0.086 4.233 4.320 -0.002 0.000 0.219 114 A C 2.252 179.845 177.584 0.014 0.000 1.182 114 A CA 2.383 54.192 52.037 -0.380 0.000 0.633 114 A CB -1.677 16.846 19.000 -0.796 0.000 0.819 114 A HN 0.556 nan 8.150 nan 0.000 0.448 115 T N 0.075 114.642 114.554 0.022 0.000 2.867 115 T HA -0.029 4.320 4.350 -0.002 0.000 0.268 115 T C 1.764 176.524 174.700 0.100 0.000 1.057 115 T CA 1.326 63.472 62.100 0.077 0.000 1.136 115 T CB -0.360 68.543 68.868 0.057 0.000 0.874 115 T HN 0.449 nan 8.240 nan 0.000 0.466 116 I N -0.208 120.403 120.570 0.068 0.000 2.226 116 I HA -0.162 4.007 4.170 -0.002 0.000 0.245 116 I C 2.093 178.203 176.117 -0.011 0.000 1.100 116 I CA 1.506 62.844 61.300 0.063 0.000 1.374 116 I CB -0.329 37.698 38.000 0.045 0.000 1.057 116 I HN 0.215 nan 8.210 nan 0.000 0.413 117 Y N 0.485 120.846 120.300 0.102 0.000 2.314 117 Y HA -0.240 4.309 4.550 -0.002 0.000 0.293 117 Y C 2.263 178.258 175.900 0.158 0.000 1.129 117 Y CA 1.532 59.685 58.100 0.088 0.000 1.201 117 Y CB -0.479 38.168 38.460 0.311 0.000 0.999 117 Y HN 0.181 nan 8.280 nan 0.000 0.541 118 D N -0.430 120.174 120.400 0.341 0.000 2.097 118 D HA -0.164 4.475 4.640 -0.002 0.000 0.195 118 D C 2.174 178.593 176.300 0.198 0.000 0.989 118 D CA 1.276 55.449 54.000 0.289 0.000 0.827 118 D CB -0.119 40.814 40.800 0.222 0.000 0.966 118 D HN 0.068 nan 8.370 nan 0.000 0.456 119 V N -0.215 119.801 119.914 0.170 0.000 2.392 119 V HA -0.296 3.823 4.120 -0.002 0.000 0.249 119 V C 2.660 178.791 176.094 0.063 0.000 1.059 119 V CA 1.479 63.935 62.300 0.261 0.000 1.051 119 V CB -0.444 31.576 31.823 0.329 0.000 0.658 119 V HN 0.453 nan 8.190 nan 0.000 0.455 120 C N -0.888 118.192 119.300 -0.365 0.000 2.446 120 C HA -0.090 4.369 4.460 -0.002 0.000 0.277 120 C C 2.491 176.924 174.990 -0.928 0.000 1.275 120 C CA 0.584 59.021 59.018 -0.969 0.000 1.727 120 C CB -1.171 25.390 27.740 -1.965 0.000 2.010 120 C HN 0.532 nan 8.230 nan 0.000 0.486 121 F N 1.686 121.340 119.950 -0.493 0.000 2.234 121 F HA -0.073 4.454 4.527 -0.001 0.000 0.299 121 F C 2.330 178.019 175.800 -0.185 0.000 1.087 121 F CA 1.314 59.216 58.000 -0.163 0.000 1.340 121 F CB -0.496 38.529 39.000 0.041 0.000 1.031 121 F HN 0.295 nan 8.300 nan 0.000 0.500 122 N N -1.423 117.227 118.700 -0.083 0.000 2.376 122 N HA -0.076 4.663 4.740 -0.002 0.000 0.177 122 N C 1.156 176.212 175.510 -0.756 0.000 1.024 122 N CA 1.093 53.901 53.050 -0.403 0.000 0.893 122 N CB -0.123 38.084 38.487 -0.467 0.000 0.980 122 N HN 0.382 nan 8.380 nan 0.000 0.439 123 H N -2.757 116.215 119.070 -0.162 0.000 3.535 123 H HA 0.231 4.786 4.556 -0.002 0.000 0.260 123 H C 0.480 175.376 175.328 -0.721 0.000 1.173 123 H CA -0.058 55.748 56.048 -0.403 0.000 1.168 123 H CB 0.512 30.025 29.762 -0.416 0.000 1.568 123 H HN 0.100 nan 8.280 nan 0.000 0.602 124 F N -0.311 119.545 119.950 -0.157 0.000 2.496 124 F HA 0.187 4.713 4.527 -0.002 0.000 0.274 124 F C 0.424 176.234 175.800 0.016 0.000 0.924 124 F CA -0.398 57.530 58.000 -0.119 0.000 1.147 124 F CB 0.070 38.909 39.000 -0.267 0.000 0.969 124 F HN -0.182 nan 8.300 nan 0.000 0.749 125 F N 3.721 123.650 119.950 -0.034 0.000 2.571 125 F HA 0.125 4.651 4.527 -0.002 0.000 0.390 125 F C 0.747 176.534 175.800 -0.022 0.000 1.043 125 F CA -0.467 57.488 58.000 -0.075 0.000 1.164 125 F CB -0.597 38.243 39.000 -0.266 0.000 1.049 125 F HN -0.201 nan 8.300 nan 0.000 0.552 126 R N 2.459 123.092 120.500 0.222 0.000 2.254 126 R HA 0.636 4.975 4.340 -0.002 0.000 0.318 126 R C 0.122 176.498 176.300 0.127 0.000 1.031 126 R CA -0.640 55.525 56.100 0.108 0.000 0.905 126 R CB 1.036 31.405 30.300 0.115 0.000 1.050 126 R HN 0.680 nan 8.270 nan 0.000 0.456 127 A N 2.922 125.813 122.820 0.118 0.000 2.272 127 A HA 0.262 4.581 4.320 -0.002 0.000 0.275 127 A C 0.149 177.814 177.584 0.135 0.000 1.096 127 A CA -0.592 51.515 52.037 0.117 0.000 0.822 127 A CB 0.425 19.477 19.000 0.088 0.000 1.088 127 A HN 0.810 nan 8.150 nan 0.000 0.495 128 R N 0.301 120.858 120.500 0.095 0.000 2.640 128 R HA 0.113 4.452 4.340 -0.002 0.000 0.270 128 R C -0.160 176.181 176.300 0.068 0.000 1.024 128 R CA 1.034 57.181 56.100 0.078 0.000 1.085 128 R CB -0.061 30.271 30.300 0.052 0.000 0.963 128 R HN 0.993 nan 8.270 nan 0.000 0.426 129 N N 0.546 119.269 118.700 0.039 0.000 3.278 129 N HA 0.093 4.832 4.740 -0.002 0.000 0.307 129 N C -0.446 175.048 175.510 -0.026 0.000 1.551 129 N CA -0.887 52.146 53.050 -0.029 0.000 0.794 129 N CB 0.729 39.125 38.487 -0.151 0.000 1.770 129 N HN 0.494 nan 8.380 nan 0.000 0.612 130 E N -1.268 118.897 120.200 -0.059 0.000 2.208 130 E HA -0.181 4.168 4.350 -0.002 0.000 0.193 130 E C 1.033 177.621 176.600 -0.020 0.000 0.988 130 E CA 0.857 57.239 56.400 -0.030 0.000 0.828 130 E CB 0.049 29.726 29.700 -0.039 0.000 0.763 130 E HN 0.548 nan 8.360 nan 0.000 0.478 131 Q N 1.400 121.180 119.800 -0.034 0.000 2.061 131 Q HA -0.062 4.277 4.340 -0.002 0.000 0.195 131 Q C -0.098 175.908 176.000 0.011 0.000 0.967 131 Q CA 1.659 57.455 55.803 -0.012 0.000 0.829 131 Q CB 0.393 29.121 28.738 -0.016 0.000 0.900 131 Q HN 0.254 nan 8.270 nan 0.000 0.450 132 D N -3.418 116.996 120.400 0.024 0.000 2.652 132 D HA 0.388 5.027 4.640 -0.002 0.000 0.285 132 D C 0.471 176.807 176.300 0.059 0.000 1.173 132 D CA -0.373 53.653 54.000 0.044 0.000 0.981 132 D CB 0.175 41.005 40.800 0.050 0.000 1.440 132 D HN 0.029 nan 8.370 nan 0.000 0.485 133 G N -1.499 107.344 108.800 0.071 0.000 2.848 133 G HA2 0.442 4.401 3.960 -0.002 0.000 0.208 133 G HA3 0.442 4.401 3.960 -0.002 0.000 0.208 133 G C 0.955 175.911 174.900 0.094 0.000 1.152 133 G CA 0.333 45.480 45.100 0.078 0.000 0.789 133 G HN 1.076 nan 8.290 nan 0.000 0.531 134 G N 0.016 108.881 108.800 0.107 0.000 2.741 134 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.222 134 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.222 134 G C -0.836 174.140 174.900 0.127 0.000 1.364 134 G CA -0.346 44.831 45.100 0.127 0.000 0.866 134 G HN 0.222 nan 8.290 nan 0.000 0.555 135 D N 0.456 120.939 120.400 0.138 0.000 2.389 135 D HA 0.400 5.039 4.640 -0.002 0.000 0.247 135 D C 0.764 177.131 176.300 0.112 0.000 1.128 135 D CA 0.204 54.297 54.000 0.156 0.000 0.884 135 D CB 0.850 41.816 40.800 0.276 0.000 1.194 135 D HN 0.465 nan 8.370 nan 0.000 0.441 136 L N 2.378 123.683 121.223 0.136 0.000 2.259 136 L HA 0.261 4.600 4.340 -0.002 0.000 0.288 136 L C -0.326 176.596 176.870 0.088 0.000 1.051 136 L CA -0.771 54.173 54.840 0.173 0.000 0.824 136 L CB 0.842 42.972 42.059 0.119 0.000 1.206 136 L HN -0.038 nan 8.230 nan 0.000 0.429 137 V N 3.584 123.489 119.914 -0.016 0.000 2.350 137 V HA 0.192 4.311 4.120 -0.002 0.000 0.276 137 V C -0.502 175.495 176.094 -0.161 0.000 1.028 137 V CA -0.498 61.661 62.300 -0.235 0.000 0.860 137 V CB 0.987 32.175 31.823 -1.059 0.000 0.990 137 V HN 0.393 nan 8.190 nan 0.000 0.453 138 Y N 4.889 125.169 120.300 -0.034 0.000 2.714 138 Y HA 0.441 4.990 4.550 -0.002 0.000 0.333 138 Y C 0.299 176.300 175.900 0.168 0.000 1.220 138 Y CA -1.053 57.103 58.100 0.095 0.000 1.513 138 Y CB -0.303 38.164 38.460 0.012 0.000 1.435 138 Y HN 0.496 nan 8.280 nan 0.000 0.489 139 F N 0.904 121.025 119.950 0.284 0.000 2.563 139 F HA 0.005 4.531 4.527 -0.001 0.000 0.363 139 F C 1.065 176.938 175.800 0.121 0.000 1.123 139 F CA -0.135 57.986 58.000 0.201 0.000 1.307 139 F CB 0.493 39.556 39.000 0.104 0.000 1.115 139 F HN 0.323 nan 8.300 nan 0.000 0.592 140 Q N 2.240 122.233 119.800 0.323 0.000 2.271 140 Q HA 0.113 4.452 4.340 -0.002 0.000 0.273 140 Q C 1.363 177.235 176.000 -0.213 0.000 1.051 140 Q CA 0.271 56.071 55.803 -0.005 0.000 0.901 140 Q CB 1.026 29.745 28.738 -0.032 0.000 1.174 140 Q HN 0.964 nan 8.270 nan 0.000 0.385 141 G N 3.922 112.575 108.800 -0.245 0.000 2.505 141 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.220 141 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.220 141 G C 0.844 175.747 174.900 0.004 0.000 1.145 141 G CA 1.087 46.082 45.100 -0.176 0.000 0.761 141 G HN 0.928 nan 8.290 nan 0.000 0.571 142 H N 0.681 119.750 119.070 -0.002 0.000 2.561 142 H HA 0.009 4.564 4.556 -0.002 0.000 0.278 142 H C 2.229 177.642 175.328 0.143 0.000 1.014 142 H CA 0.939 57.027 56.048 0.067 0.000 1.211 142 H CB -0.696 28.913 29.762 -0.255 0.000 1.365 142 H HN 0.654 nan 8.280 nan 0.000 0.594 143 I N -0.389 120.195 120.570 0.024 0.000 3.875 143 I HA 0.122 4.291 4.170 -0.002 0.000 0.329 143 I C 1.902 177.881 176.117 -0.230 0.000 1.295 143 I CA 0.197 61.498 61.300 0.002 0.000 1.129 143 I CB 0.062 38.099 38.000 0.061 0.000 1.008 143 I HN 0.013 nan 8.210 nan 0.000 0.413 144 S N 2.073 117.690 115.700 -0.138 0.000 2.392 144 S HA -0.068 4.401 4.470 -0.002 0.000 0.232 144 S C -0.364 173.972 174.600 -0.440 0.000 1.041 144 S CA 1.256 59.300 58.200 -0.260 0.000 1.026 144 S CB -2.079 61.015 63.200 -0.176 0.000 0.845 144 S HN 0.375 nan 8.310 nan 0.000 0.465 145 P HA 0.044 nan 4.420 nan 0.000 0.219 145 P C 1.762 178.740 177.300 -0.536 0.000 1.146 145 P CA 1.553 64.435 63.100 -0.362 0.000 0.808 145 P CB -0.674 30.812 31.700 -0.356 0.000 0.779 146 G N -0.627 107.597 108.800 -0.960 0.000 2.403 146 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.216 146 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.216 146 G C 1.553 175.966 174.900 -0.812 0.000 1.154 146 G CA 0.407 44.522 45.100 -1.642 0.000 0.784 146 G HN 0.141 nan 8.290 nan 0.000 0.538 147 V N 0.104 119.634 119.914 -0.641 0.000 2.358 147 V HA -0.144 3.975 4.120 -0.002 0.000 0.246 147 V C 2.433 178.379 176.094 -0.246 0.000 1.047 147 V CA 1.192 63.213 62.300 -0.465 0.000 1.035 147 V CB -0.696 30.821 31.823 -0.510 0.000 0.658 147 V HN 0.367 nan 8.190 nan 0.000 0.452 148 Y N 0.803 120.988 120.300 -0.192 0.000 2.242 148 Y HA -0.066 4.483 4.550 -0.002 0.000 0.291 148 Y C 2.540 178.328 175.900 -0.186 0.000 1.137 148 Y CA 0.585 58.567 58.100 -0.196 0.000 1.181 148 Y CB -1.348 36.982 38.460 -0.217 0.000 0.989 148 Y HN 0.191 nan 8.280 nan 0.000 0.527 149 A N 0.412 123.190 122.820 -0.070 0.000 1.877 149 A HA -0.243 4.076 4.320 -0.002 0.000 0.216 149 A C 2.429 180.022 177.584 0.015 0.000 1.186 149 A CA 2.019 54.029 52.037 -0.045 0.000 0.620 149 A CB -0.745 18.192 19.000 -0.105 0.000 0.822 149 A HN 0.434 nan 8.150 nan 0.000 0.443 150 R N -0.356 120.087 120.500 -0.094 0.000 2.075 150 R HA -0.041 4.298 4.340 -0.002 0.000 0.232 150 R C 2.247 178.486 176.300 -0.103 0.000 1.126 150 R CA 1.510 57.530 56.100 -0.134 0.000 0.963 150 R CB -0.484 29.608 30.300 -0.347 0.000 0.858 150 R HN 0.383 nan 8.270 nan 0.000 0.435 151 A N 0.591 123.379 122.820 -0.053 0.000 1.940 151 A HA -0.191 4.128 4.320 -0.002 0.000 0.219 151 A C 1.970 179.545 177.584 -0.017 0.000 1.176 151 A CA 1.328 53.371 52.037 0.010 0.000 0.631 151 A CB -0.800 18.311 19.000 0.186 0.000 0.814 151 A HN 0.583 nan 8.150 nan 0.000 0.446 152 F N 0.427 120.295 119.950 -0.137 0.000 2.113 152 F HA -0.086 4.440 4.527 -0.002 0.000 0.297 152 F C 1.837 177.568 175.800 -0.115 0.000 1.103 152 F CA 1.533 59.433 58.000 -0.167 0.000 1.248 152 F CB -0.389 38.467 39.000 -0.239 0.000 0.999 152 F HN 0.132 nan 8.300 nan 0.000 0.475 153 L N 0.154 121.230 121.223 -0.245 0.000 2.131 153 L HA -0.193 4.146 4.340 -0.002 0.000 0.210 153 L C 1.979 178.719 176.870 -0.217 0.000 1.092 153 L CA 1.573 56.251 54.840 -0.269 0.000 0.759 153 L CB -0.640 41.395 42.059 -0.040 0.000 0.903 153 L HN 0.201 nan 8.230 nan 0.000 0.435 154 E N -0.241 119.830 120.200 -0.215 0.000 2.511 154 E HA 0.011 4.360 4.350 -0.002 0.000 0.196 154 E C 1.230 177.747 176.600 -0.138 0.000 1.066 154 E CA 0.458 56.709 56.400 -0.249 0.000 0.871 154 E CB 0.040 29.566 29.700 -0.290 0.000 0.863 154 E HN 0.534 nan 8.360 nan 0.000 0.520 155 G N 1.942 110.620 108.800 -0.204 0.000 2.176 155 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.252 155 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.252 155 G C 0.797 175.604 174.900 -0.156 0.000 1.024 155 G CA 0.435 45.422 45.100 -0.188 0.000 0.755 155 G HN 0.278 nan 8.290 nan 0.000 0.507 156 R N -1.218 119.191 120.500 -0.152 0.000 2.265 156 R HA 0.360 4.699 4.340 -0.002 0.000 0.194 156 R C 0.825 177.081 176.300 -0.074 0.000 0.931 156 R CA 0.373 56.411 56.100 -0.104 0.000 1.032 156 R CB 0.387 30.642 30.300 -0.074 0.000 0.980 156 R HN 0.428 nan 8.270 nan 0.000 0.497 157 L N 0.903 122.088 121.223 -0.064 0.000 2.381 157 L HA 0.319 4.658 4.340 -0.002 0.000 0.268 157 L C 0.374 177.282 176.870 0.063 0.000 0.997 157 L CA -0.841 53.959 54.840 -0.068 0.000 0.818 157 L CB 2.162 44.141 42.059 -0.134 0.000 1.310 157 L HN 0.021 nan 8.230 nan 0.000 0.416 158 T N -2.182 112.376 114.554 0.006 0.000 2.824 158 T HA 0.121 4.470 4.350 -0.002 0.000 0.277 158 T C 0.636 175.351 174.700 0.026 0.000 0.975 158 T CA -0.372 61.769 62.100 0.068 0.000 0.966 158 T CB 1.488 70.354 68.868 -0.004 0.000 1.054 158 T HN 0.701 nan 8.240 nan 0.000 0.533 159 Q N -0.402 119.425 119.800 0.045 0.000 2.172 159 Q HA -0.113 4.226 4.340 -0.002 0.000 0.200 159 Q C 2.179 178.067 176.000 -0.186 0.000 0.964 159 Q CA 1.360 57.035 55.803 -0.213 0.000 0.855 159 Q CB -0.094 28.637 28.738 -0.011 0.000 0.918 159 Q HN 0.903 nan 8.270 nan 0.000 0.444 160 E N -0.006 120.142 120.200 -0.087 0.000 2.110 160 E HA -0.249 4.100 4.350 -0.002 0.000 0.193 160 E C 1.927 178.457 176.600 -0.115 0.000 0.988 160 E CA 1.223 57.578 56.400 -0.075 0.000 0.804 160 E CB 0.103 29.773 29.700 -0.049 0.000 0.745 160 E HN 0.463 nan 8.360 nan 0.000 0.458 161 Q N 0.090 119.797 119.800 -0.154 0.000 2.079 161 Q HA -0.128 4.211 4.340 -0.002 0.000 0.200 161 Q C 2.428 178.278 176.000 -0.250 0.000 0.974 161 Q CA 1.173 56.856 55.803 -0.200 0.000 0.840 161 Q CB -0.011 28.585 28.738 -0.237 0.000 0.898 161 Q HN 0.366 nan 8.270 nan 0.000 0.430 162 L N 0.716 121.727 121.223 -0.353 0.000 2.093 162 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 162 L C 1.561 178.339 176.870 -0.153 0.000 1.085 162 L CA 0.814 55.407 54.840 -0.411 0.000 0.755 162 L CB -0.309 41.187 42.059 -0.938 0.000 0.904 162 L HN 0.211 nan 8.230 nan 0.000 0.435 163 D N -0.138 120.204 120.400 -0.096 0.000 2.348 163 D HA -0.094 4.545 4.640 -0.002 0.000 0.216 163 D C 1.030 177.330 176.300 0.000 0.000 0.970 163 D CA 0.760 54.772 54.000 0.020 0.000 0.889 163 D CB -0.054 40.760 40.800 0.024 0.000 0.912 163 D HN 0.279 nan 8.370 nan 0.000 0.524 164 N N 0.389 119.067 118.700 -0.037 0.000 2.321 164 N HA -0.006 4.733 4.740 -0.002 0.000 0.242 164 N C -0.150 175.347 175.510 -0.022 0.000 1.141 164 N CA -0.339 52.686 53.050 -0.041 0.000 0.864 164 N CB 0.049 38.494 38.487 -0.070 0.000 1.100 164 N HN 0.072 nan 8.380 nan 0.000 0.510 165 F N 2.409 122.272 119.950 -0.146 0.000 2.608 165 F HA -0.004 4.522 4.527 -0.002 0.000 0.380 165 F C 1.255 177.005 175.800 -0.084 0.000 1.083 165 F CA 0.199 58.114 58.000 -0.141 0.000 1.266 165 F CB 0.293 39.235 39.000 -0.097 0.000 1.076 165 F HN 0.164 nan 8.300 nan 0.000 0.574 166 R N 2.923 123.042 120.500 -0.636 0.000 3.770 166 R HA -0.226 4.113 4.340 -0.002 0.000 0.305 166 R C -0.731 175.420 176.300 -0.249 0.000 1.184 166 R CA 1.046 56.812 56.100 -0.557 0.000 0.823 166 R CB -1.827 27.997 30.300 -0.794 0.000 1.285 166 R HN 0.803 nan 8.270 nan 0.000 0.499 167 Q N -0.117 119.591 119.800 -0.152 0.000 3.021 167 Q HA 0.114 4.453 4.340 -0.002 0.000 0.234 167 Q C -0.279 175.701 176.000 -0.033 0.000 0.930 167 Q CA -0.238 55.522 55.803 -0.072 0.000 0.714 167 Q CB 1.197 29.898 28.738 -0.062 0.000 1.325 167 Q HN 0.311 nan 8.270 nan 0.000 0.473 168 E N 0.093 120.284 120.200 -0.016 0.000 2.476 168 E HA 0.009 4.358 4.350 -0.002 0.000 0.199 168 E C 1.396 178.016 176.600 0.032 0.000 1.021 168 E CA 0.128 56.531 56.400 0.004 0.000 0.907 168 E CB 0.707 30.408 29.700 0.001 0.000 0.974 168 E HN 0.188 nan 8.360 nan 0.000 0.489 169 V N 1.208 121.158 119.914 0.059 0.000 2.392 169 V HA -0.249 3.870 4.120 -0.002 0.000 0.249 169 V C 1.303 177.358 176.094 -0.065 0.000 1.059 169 V CA 1.893 64.197 62.300 0.007 0.000 1.051 169 V CB -0.551 31.271 31.823 -0.002 0.000 0.658 169 V HN 0.351 nan 8.190 nan 0.000 0.455 170 H N -0.190 118.865 119.070 -0.026 0.000 2.536 170 H HA 0.383 4.938 4.556 -0.002 0.000 0.276 170 H C 1.705 177.018 175.328 -0.025 0.000 1.019 170 H CA 0.530 56.564 56.048 -0.024 0.000 1.159 170 H CB -0.127 29.620 29.762 -0.026 0.000 1.373 170 H HN 0.449 nan 8.280 nan 0.000 0.584 171 G N 0.840 109.670 108.800 0.050 0.000 2.225 171 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.254 171 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.254 171 G C 0.750 175.651 174.900 0.003 0.000 0.988 171 G CA 0.376 45.487 45.100 0.018 0.000 0.625 171 G HN 0.491 nan 8.290 nan 0.000 0.527 172 N N 0.553 119.253 118.700 0.001 0.000 2.553 172 N HA 0.518 5.257 4.740 -0.002 0.000 0.298 172 N C 0.668 176.138 175.510 -0.067 0.000 1.596 172 N CA 0.975 54.003 53.050 -0.036 0.000 0.910 172 N CB 0.191 38.659 38.487 -0.032 0.000 1.336 172 N HN 0.678 nan 8.380 nan 0.000 0.497 173 G N -0.590 108.169 108.800 -0.068 0.000 3.016 173 G HA2 0.698 4.657 3.960 -0.002 0.000 0.270 173 G HA3 0.698 4.657 3.960 -0.002 0.000 0.270 173 G C -1.240 173.567 174.900 -0.154 0.000 1.352 173 G CA -0.525 44.514 45.100 -0.101 0.000 1.060 173 G HN 0.155 nan 8.290 nan 0.000 0.538 174 L N 0.290 121.406 121.223 -0.179 0.000 2.386 174 L HA 0.427 4.766 4.340 -0.002 0.000 0.271 174 L C 0.123 176.960 176.870 -0.054 0.000 0.993 174 L CA -0.769 53.922 54.840 -0.248 0.000 0.819 174 L CB 2.315 43.992 42.059 -0.637 0.000 1.294 174 L HN 0.409 nan 8.230 nan 0.000 0.414 175 S N 0.067 115.867 115.700 0.165 0.000 2.585 175 S HA 0.045 4.514 4.470 -0.002 0.000 0.273 175 S C 1.217 175.913 174.600 0.161 0.000 1.339 175 S CA -0.172 58.150 58.200 0.203 0.000 1.028 175 S CB 1.535 64.952 63.200 0.362 0.000 0.906 175 S HN 0.841 nan 8.310 nan 0.000 0.528 176 S N 1.404 117.030 115.700 -0.122 0.000 2.368 176 S HA -0.088 4.381 4.470 -0.002 0.000 0.225 176 S C 0.128 174.417 174.600 -0.519 0.000 1.030 176 S CA 1.093 59.002 58.200 -0.485 0.000 0.999 176 S CB -0.482 62.265 63.200 -0.754 0.000 0.844 176 S HN 0.680 nan 8.310 nan 0.000 0.459 177 Y N 0.623 120.876 120.300 -0.077 0.000 2.698 177 Y HA 0.599 5.148 4.550 -0.002 0.000 0.332 177 Y C -2.975 172.260 175.900 -1.108 0.000 1.119 177 Y CA -3.156 54.653 58.100 -0.484 0.000 1.109 177 Y CB -0.011 38.212 38.460 -0.394 0.000 1.308 177 Y HN -0.162 nan 8.280 nan 0.000 0.499 178 P HA 0.114 nan 4.420 nan 0.000 0.264 178 P C -1.136 175.623 177.300 -0.901 0.000 1.236 178 P CA 0.705 62.696 63.100 -1.849 0.000 0.811 178 P CB -0.050 30.911 31.700 -1.231 0.000 0.840 179 H N 4.478 123.419 119.070 -0.215 0.000 3.036 179 H HA 0.194 4.749 4.556 -0.002 0.000 0.295 179 H C -2.015 173.439 175.328 0.210 0.000 1.124 179 H CA -1.967 54.120 56.048 0.066 0.000 1.507 179 H CB 1.401 31.218 29.762 0.092 0.000 1.591 179 H HN 0.209 nan 8.280 nan 0.000 0.510 180 P HA -0.197 nan 4.420 nan 0.000 0.216 180 P C 1.825 179.233 177.300 0.180 0.000 1.150 180 P CA 1.334 64.567 63.100 0.221 0.000 0.843 180 P CB 0.652 32.414 31.700 0.102 0.000 0.787 181 K N 0.033 120.521 120.400 0.147 0.000 2.103 181 K HA -0.118 4.201 4.320 -0.002 0.000 0.207 181 K C 1.808 178.470 176.600 0.103 0.000 1.048 181 K CA 1.556 57.897 56.287 0.090 0.000 0.930 181 K CB -1.057 31.458 32.500 0.025 0.000 0.716 181 K HN 0.098 nan 8.250 nan 0.000 0.444 182 L N -0.911 120.408 121.223 0.159 0.000 2.249 182 L HA 0.169 4.508 4.340 -0.002 0.000 0.207 182 L C 0.846 177.819 176.870 0.172 0.000 1.090 182 L CA 0.432 55.363 54.840 0.152 0.000 0.802 182 L CB 0.006 42.174 42.059 0.182 0.000 0.947 182 L HN 0.118 nan 8.230 nan 0.000 0.453 183 M N 0.892 120.644 119.600 0.254 0.000 2.389 183 M HA 0.216 4.696 4.480 -0.002 0.000 0.206 183 M C -1.804 174.633 176.300 0.229 0.000 0.976 183 M CA -1.250 54.195 55.300 0.242 0.000 0.648 183 M CB 1.600 34.412 32.600 0.353 0.000 1.474 183 M HN -0.233 nan 8.290 nan 0.000 0.398 184 P HA -0.163 nan 4.420 nan 0.000 0.223 184 P C 0.276 177.632 177.300 0.093 0.000 1.144 184 P CA 1.484 64.651 63.100 0.112 0.000 0.783 184 P CB 0.250 32.000 31.700 0.082 0.000 0.771 185 E N -3.099 117.164 120.200 0.106 0.000 2.498 185 E HA 0.126 4.475 4.350 -0.002 0.000 0.203 185 E C 0.955 177.622 176.600 0.113 0.000 1.013 185 E CA -0.210 56.241 56.400 0.085 0.000 0.927 185 E CB 0.071 29.814 29.700 0.072 0.000 1.012 185 E HN 0.234 nan 8.360 nan 0.000 0.482 186 F N -0.436 119.477 119.950 -0.063 0.000 2.444 186 F HA 0.253 4.780 4.527 -0.001 0.000 0.263 186 F C -0.186 175.498 175.800 -0.193 0.000 0.912 186 F CA -0.252 57.635 58.000 -0.189 0.000 1.122 186 F CB 0.237 39.052 39.000 -0.309 0.000 1.246 186 F HN -0.146 nan 8.300 nan 0.000 0.752 187 W N 2.163 123.570 121.300 0.178 0.000 2.150 187 W HA 0.311 4.970 4.660 -0.002 0.000 0.341 187 W C 1.086 177.515 176.519 -0.150 0.000 1.276 187 W CA -0.067 57.283 57.345 0.007 0.000 1.238 187 W CB 0.659 30.195 29.460 0.126 0.000 1.128 187 W HN 0.174 nan 8.180 nan 0.000 0.581 188 Q N 0.473 120.279 119.800 0.010 0.000 2.534 188 Q HA 0.168 4.507 4.340 -0.002 0.000 0.252 188 Q C -0.637 174.857 176.000 -0.844 0.000 0.850 188 Q CA 0.297 55.761 55.803 -0.566 0.000 0.974 188 Q CB 0.672 28.805 28.738 -1.009 0.000 1.205 188 Q HN 0.309 nan 8.270 nan 0.000 0.593 189 F N 1.310 121.249 119.950 -0.019 0.000 2.507 189 F HA 0.417 4.943 4.527 -0.002 0.000 0.328 189 F C -2.454 173.319 175.800 -0.044 0.000 1.136 189 F CA -3.062 54.859 58.000 -0.132 0.000 0.930 189 F CB 1.276 39.914 39.000 -0.604 0.000 1.166 189 F HN -0.215 nan 8.300 nan 0.000 0.436 190 P HA 0.174 nan 4.420 nan 0.000 0.270 190 P C 0.552 177.951 177.300 0.166 0.000 1.242 190 P CA 0.072 63.256 63.100 0.140 0.000 0.768 190 P CB 0.750 32.585 31.700 0.225 0.000 0.820 191 T N -1.609 112.991 114.554 0.077 0.000 3.016 191 T HA 0.030 4.379 4.350 -0.002 0.000 0.271 191 T C 1.321 176.042 174.700 0.035 0.000 0.968 191 T CA 0.043 62.209 62.100 0.109 0.000 0.891 191 T CB -0.504 68.450 68.868 0.143 0.000 1.149 191 T HN 0.081 nan 8.240 nan 0.000 0.524 192 V N 2.135 122.018 119.914 -0.052 0.000 2.867 192 V HA 0.104 4.223 4.120 -0.002 0.000 0.260 192 V C 1.263 177.323 176.094 -0.056 0.000 1.099 192 V CA 1.405 63.612 62.300 -0.156 0.000 1.122 192 V CB -0.297 31.245 31.823 -0.469 0.000 0.708 192 V HN 0.605 nan 8.190 nan 0.000 0.490 193 S N 2.432 118.152 115.700 0.033 0.000 2.681 193 S HA 0.282 4.751 4.470 -0.002 0.000 0.313 193 S C 0.290 174.918 174.600 0.045 0.000 1.137 193 S CA -0.707 57.522 58.200 0.048 0.000 1.045 193 S CB -0.338 62.919 63.200 0.095 0.000 1.208 193 S HN 0.384 nan 8.310 nan 0.000 0.523 194 M N 3.506 123.122 119.600 0.027 0.000 2.226 194 M HA 0.027 4.506 4.480 -0.002 0.000 0.377 194 M C 1.728 178.044 176.300 0.027 0.000 1.309 194 M CA 1.687 57.006 55.300 0.031 0.000 0.874 194 M CB -1.316 31.294 32.600 0.015 0.000 1.902 194 M HN 0.970 nan 8.290 nan 0.000 0.485 195 G N 2.406 111.218 108.800 0.020 0.000 2.358 195 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.224 195 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.224 195 G C 0.807 175.722 174.900 0.024 0.000 1.073 195 G CA 0.275 45.384 45.100 0.014 0.000 0.635 195 G HN 0.600 nan 8.290 nan 0.000 0.509 196 L N 1.323 122.574 121.223 0.047 0.000 2.156 196 L HA 0.135 4.474 4.340 -0.002 0.000 0.208 196 L C 3.098 180.008 176.870 0.067 0.000 1.095 196 L CA 1.586 56.467 54.840 0.068 0.000 0.770 196 L CB -0.876 41.245 42.059 0.104 0.000 0.914 196 L HN 0.420 nan 8.230 nan 0.000 0.439 197 G N 1.194 110.034 108.800 0.066 0.000 2.433 197 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.216 197 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.216 197 G C -0.469 174.322 174.900 -0.181 0.000 1.186 197 G CA 0.764 45.892 45.100 0.047 0.000 0.779 197 G HN 0.315 nan 8.290 nan 0.000 0.543 198 P HA -0.080 nan 4.420 nan 0.000 0.215 198 P C 2.057 179.406 177.300 0.081 0.000 1.157 198 P CA 0.884 63.847 63.100 -0.228 0.000 0.863 198 P CB -0.011 31.503 31.700 -0.311 0.000 0.787 199 I N -0.262 120.366 120.570 0.097 0.000 2.353 199 I HA -0.073 4.096 4.170 -0.002 0.000 0.248 199 I C 2.333 178.557 176.117 0.178 0.000 1.119 199 I CA 1.493 62.910 61.300 0.195 0.000 1.417 199 I CB -0.709 37.388 38.000 0.161 0.000 1.078 199 I HN -0.092 nan 8.210 nan 0.000 0.421 200 G N 0.240 109.062 108.800 0.037 0.000 2.422 200 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.218 200 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.218 200 G C 1.721 176.513 174.900 -0.180 0.000 1.146 200 G CA 0.721 45.826 45.100 0.008 0.000 0.769 200 G HN 0.542 nan 8.290 nan 0.000 0.547 201 A N 0.740 123.252 122.820 -0.513 0.000 1.898 201 A HA 0.095 4.414 4.320 -0.002 0.000 0.216 201 A C 2.387 179.860 177.584 -0.184 0.000 1.181 201 A CA 1.154 52.785 52.037 -0.675 0.000 0.620 201 A CB -0.340 18.225 19.000 -0.725 0.000 0.819 201 A HN 0.360 nan 8.150 nan 0.000 0.442 202 I N -1.867 118.694 120.570 -0.015 0.000 2.163 202 I HA -0.312 3.857 4.170 -0.002 0.000 0.243 202 I C 2.271 178.246 176.117 -0.236 0.000 1.085 202 I CA 1.631 62.873 61.300 -0.097 0.000 1.347 202 I CB -0.391 37.557 38.000 -0.086 0.000 1.044 202 I HN 0.415 nan 8.210 nan 0.000 0.408 203 Y N 0.039 120.327 120.300 -0.020 0.000 2.457 203 Y HA -0.192 4.357 4.550 -0.002 0.000 0.292 203 Y C 2.601 178.519 175.900 0.030 0.000 1.125 203 Y CA 0.910 59.012 58.100 0.003 0.000 1.254 203 Y CB -0.273 38.179 38.460 -0.014 0.000 1.012 203 Y HN 0.190 nan 8.280 nan 0.000 0.555 204 Q N 0.699 120.556 119.800 0.094 0.000 2.083 204 Q HA -0.101 4.238 4.340 -0.002 0.000 0.198 204 Q C 2.308 178.368 176.000 0.100 0.000 0.969 204 Q CA 1.729 57.598 55.803 0.109 0.000 0.838 204 Q CB -0.425 28.345 28.738 0.054 0.000 0.900 204 Q HN 0.349 nan 8.270 nan 0.000 0.436 205 A N 0.629 123.446 122.820 -0.006 0.000 1.902 205 A HA -0.202 4.117 4.320 -0.002 0.000 0.217 205 A C 2.084 179.650 177.584 -0.031 0.000 1.181 205 A CA 1.775 53.783 52.037 -0.048 0.000 0.623 205 A CB -0.605 18.317 19.000 -0.129 0.000 0.818 205 A HN 0.413 nan 8.150 nan 0.000 0.443 206 K N -1.780 118.602 120.400 -0.030 0.000 2.097 206 K HA -0.107 4.212 4.320 -0.002 0.000 0.205 206 K C 1.719 178.384 176.600 0.109 0.000 1.050 206 K CA 1.350 57.646 56.287 0.016 0.000 0.938 206 K CB -0.284 32.194 32.500 -0.037 0.000 0.718 206 K HN 0.385 nan 8.250 nan 0.000 0.442 207 F N 1.541 121.490 119.950 -0.000 0.000 2.186 207 F HA -0.096 4.430 4.527 -0.001 0.000 0.299 207 F C 1.522 177.351 175.800 0.049 0.000 1.090 207 F CA 1.135 59.137 58.000 0.003 0.000 1.307 207 F CB -0.019 38.975 39.000 -0.009 0.000 1.019 207 F HN -0.038 nan 8.300 nan 0.000 0.489 208 L N -0.152 121.090 121.223 0.032 0.000 2.083 208 L HA -0.227 4.112 4.340 -0.002 0.000 0.209 208 L C 2.532 179.303 176.870 -0.164 0.000 1.083 208 L CA 1.096 55.897 54.840 -0.066 0.000 0.752 208 L CB -0.710 41.346 42.059 -0.005 0.000 0.899 208 L HN -0.014 nan 8.230 nan 0.000 0.433 209 K N -0.336 119.983 120.400 -0.135 0.000 2.057 209 K HA -0.226 4.093 4.320 -0.002 0.000 0.207 209 K C 2.054 178.504 176.600 -0.250 0.000 1.049 209 K CA 1.569 57.720 56.287 -0.227 0.000 0.931 209 K CB -0.691 31.749 32.500 -0.100 0.000 0.714 209 K HN 0.271 nan 8.250 nan 0.000 0.440 210 Y N 1.484 121.584 120.300 -0.334 0.000 2.128 210 Y HA -0.237 4.312 4.550 -0.002 0.000 0.284 210 Y C 2.070 177.667 175.900 -0.505 0.000 1.154 210 Y CA 1.219 58.962 58.100 -0.596 0.000 1.149 210 Y CB -0.335 37.594 38.460 -0.884 0.000 0.976 210 Y HN -0.110 nan 8.280 nan 0.000 0.505 211 L N 0.928 121.839 121.223 -0.520 0.000 2.131 211 L HA -0.188 4.151 4.340 -0.002 0.000 0.210 211 L C 2.497 179.172 176.870 -0.324 0.000 1.092 211 L CA 2.173 56.729 54.840 -0.474 0.000 0.759 211 L CB -0.996 40.837 42.059 -0.377 0.000 0.903 211 L HN 0.482 nan 8.230 nan 0.000 0.435 212 E N -1.521 118.512 120.200 -0.278 0.000 2.051 212 E HA -0.195 4.154 4.350 -0.002 0.000 0.189 212 E C 2.071 178.594 176.600 -0.129 0.000 0.979 212 E CA 0.878 57.157 56.400 -0.202 0.000 0.803 212 E CB -0.160 29.403 29.700 -0.229 0.000 0.761 212 E HN 0.639 nan 8.360 nan 0.000 0.451 213 H N -0.413 118.585 119.070 -0.121 0.000 2.456 213 H HA 0.028 4.583 4.556 -0.001 0.000 0.296 213 H C 1.646 176.891 175.328 -0.139 0.000 1.079 213 H CA 0.776 56.786 56.048 -0.062 0.000 1.322 213 H CB 0.236 30.071 29.762 0.121 0.000 1.388 213 H HN 0.003 nan 8.280 nan 0.000 0.538 214 R N 0.067 120.457 120.500 -0.183 0.000 2.317 214 R HA 0.071 4.410 4.340 -0.002 0.000 0.208 214 R C 0.819 177.016 176.300 -0.171 0.000 0.914 214 R CA 0.445 56.394 56.100 -0.253 0.000 1.060 214 R CB 0.720 30.696 30.300 -0.539 0.000 1.015 214 R HN 0.383 nan 8.270 nan 0.000 0.498 215 G N 1.464 110.188 108.800 -0.126 0.000 2.249 215 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.273 215 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.273 215 G C 0.568 175.409 174.900 -0.098 0.000 1.036 215 G CA 0.175 45.221 45.100 -0.090 0.000 0.824 215 G HN 0.309 nan 8.290 nan 0.000 0.504 216 L N -1.443 119.698 121.223 -0.136 0.000 2.298 216 L HA 0.398 4.737 4.340 -0.002 0.000 0.209 216 L C 1.277 178.100 176.870 -0.077 0.000 1.084 216 L CA 1.284 56.058 54.840 -0.110 0.000 0.816 216 L CB 0.233 42.205 42.059 -0.145 0.000 0.967 216 L HN 0.309 nan 8.230 nan 0.000 0.460 217 K N -0.196 120.150 120.400 -0.090 0.000 2.589 217 K HA 0.089 4.408 4.320 -0.002 0.000 0.265 217 K C -1.773 174.786 176.600 -0.067 0.000 0.935 217 K CA -0.656 55.596 56.287 -0.058 0.000 0.850 217 K CB 1.983 34.460 32.500 -0.038 0.000 1.372 217 K HN -0.270 nan 8.250 nan 0.000 0.420 218 D N 2.366 122.740 120.400 -0.043 0.000 2.374 218 D HA 0.073 4.712 4.640 -0.002 0.000 0.240 218 D C 0.480 176.760 176.300 -0.033 0.000 1.229 218 D CA 0.101 54.076 54.000 -0.042 0.000 0.895 218 D CB 1.021 41.806 40.800 -0.026 0.000 1.046 218 D HN 0.547 nan 8.370 nan 0.000 0.498 219 T N -0.651 113.872 114.554 -0.053 0.000 3.092 219 T HA 0.005 4.354 4.350 -0.002 0.000 0.258 219 T C 1.689 176.366 174.700 -0.038 0.000 1.031 219 T CA 0.276 62.354 62.100 -0.036 0.000 0.925 219 T CB -0.216 68.621 68.868 -0.051 0.000 1.036 219 T HN 0.203 nan 8.240 nan 0.000 0.544 220 S N 2.268 117.941 115.700 -0.045 0.000 2.420 220 S HA -0.135 4.334 4.470 -0.002 0.000 0.237 220 S C 1.657 176.246 174.600 -0.018 0.000 1.023 220 S CA 0.734 58.908 58.200 -0.043 0.000 0.991 220 S CB -0.547 62.630 63.200 -0.039 0.000 0.792 220 S HN 0.637 nan 8.310 nan 0.000 0.488 221 K N 0.767 121.172 120.400 0.007 0.000 2.404 221 K HA 0.211 4.530 4.320 -0.002 0.000 0.194 221 K C 0.312 176.942 176.600 0.050 0.000 1.023 221 K CA 0.041 56.349 56.287 0.035 0.000 1.094 221 K CB 0.177 32.711 32.500 0.058 0.000 0.841 221 K HN 0.527 nan 8.250 nan 0.000 0.523 222 Q N 0.905 120.724 119.800 0.031 0.000 2.256 222 Q HA 0.185 4.524 4.340 -0.002 0.000 0.254 222 Q C -0.687 175.315 176.000 0.003 0.000 0.916 222 Q CA 0.059 55.888 55.803 0.043 0.000 0.932 222 Q CB 1.772 30.536 28.738 0.044 0.000 1.207 222 Q HN -0.074 nan 8.270 nan 0.000 0.426 223 T N 1.423 115.981 114.554 0.006 0.000 2.856 223 T HA 0.437 4.786 4.350 -0.002 0.000 0.283 223 T C -0.677 173.929 174.700 -0.158 0.000 1.008 223 T CA -0.546 61.475 62.100 -0.132 0.000 0.997 223 T CB 1.415 70.152 68.868 -0.218 0.000 0.992 223 T HN 0.242 nan 8.240 nan 0.000 0.454 224 V N 3.620 123.391 119.914 -0.237 0.000 2.370 224 V HA 0.407 4.526 4.120 -0.002 0.000 0.283 224 V C -1.192 174.762 176.094 -0.232 0.000 1.023 224 V CA -0.769 61.455 62.300 -0.127 0.000 0.857 224 V CB 0.479 32.255 31.823 -0.080 0.000 0.985 224 V HN 0.782 nan 8.190 nan 0.000 0.443 225 Y N 2.793 123.139 120.300 0.077 0.000 2.331 225 Y HA 0.704 5.253 4.550 -0.001 0.000 0.338 225 Y C 0.413 176.363 175.900 0.084 0.000 0.992 225 Y CA -0.597 57.541 58.100 0.063 0.000 1.121 225 Y CB 1.954 40.527 38.460 0.188 0.000 1.184 225 Y HN 0.667 nan 8.280 nan 0.000 0.469 226 A N 4.643 127.504 122.820 0.069 0.000 2.310 226 A HA 0.684 5.003 4.320 -0.002 0.000 0.304 226 A C -1.555 175.925 177.584 -0.173 0.000 1.231 226 A CA -0.531 51.487 52.037 -0.031 0.000 0.799 226 A CB -0.099 18.709 19.000 -0.319 0.000 1.162 226 A HN 0.584 nan 8.150 nan 0.000 0.486 227 F N 2.736 122.706 119.950 0.034 0.000 2.405 227 F HA 0.607 5.133 4.527 -0.002 0.000 0.355 227 F C 0.207 175.997 175.800 -0.017 0.000 1.121 227 F CA -0.164 57.854 58.000 0.029 0.000 1.112 227 F CB 1.172 40.259 39.000 0.145 0.000 1.126 227 F HN 0.390 nan 8.300 nan 0.000 0.481 228 L N 1.932 123.170 121.223 0.026 0.000 2.283 228 L HA 0.870 5.209 4.340 -0.002 0.000 0.259 228 L C 0.310 177.207 176.870 0.044 0.000 1.027 228 L CA -1.258 53.577 54.840 -0.008 0.000 0.828 228 L CB 1.861 43.822 42.059 -0.163 0.000 1.380 228 L HN 0.626 nan 8.230 nan 0.000 0.425 229 G N -0.833 108.011 108.800 0.073 0.000 2.410 229 G HA2 0.334 4.293 3.960 -0.002 0.000 0.330 229 G HA3 0.334 4.293 3.960 -0.002 0.000 0.330 229 G C 0.217 175.139 174.900 0.037 0.000 1.142 229 G CA -0.288 44.867 45.100 0.091 0.000 0.902 229 G HN 0.786 nan 8.290 nan 0.000 0.491 230 D N 0.718 121.135 120.400 0.029 0.000 2.178 230 D HA -0.101 4.538 4.640 -0.002 0.000 0.201 230 D C 2.091 178.404 176.300 0.022 0.000 0.980 230 D CA 1.228 55.235 54.000 0.012 0.000 0.842 230 D CB -0.672 40.133 40.800 0.009 0.000 0.948 230 D HN 0.482 nan 8.370 nan 0.000 0.472 231 G N 0.860 109.680 108.800 0.033 0.000 2.402 231 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.216 231 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.216 231 G C 1.482 176.394 174.900 0.020 0.000 1.162 231 G CA 0.699 45.815 45.100 0.026 0.000 0.777 231 G HN 0.475 nan 8.290 nan 0.000 0.539 232 E N -0.163 120.053 120.200 0.027 0.000 2.209 232 E HA -0.142 4.207 4.350 -0.002 0.000 0.196 232 E C 2.200 178.805 176.600 0.009 0.000 0.993 232 E CA 0.760 57.172 56.400 0.020 0.000 0.819 232 E CB -0.116 29.606 29.700 0.035 0.000 0.745 232 E HN 0.257 nan 8.360 nan 0.000 0.477 233 M N 0.910 120.516 119.600 0.011 0.000 2.539 233 M HA -0.085 4.394 4.480 -0.002 0.000 0.261 233 M C 0.854 177.162 176.300 0.014 0.000 1.069 233 M CA 1.052 56.364 55.300 0.020 0.000 1.081 233 M CB -0.607 32.019 32.600 0.042 0.000 1.412 233 M HN 0.057 nan 8.290 nan 0.000 0.482 234 D N 0.951 121.357 120.400 0.009 0.000 2.269 234 D HA 0.085 4.724 4.640 -0.002 0.000 0.208 234 D C 0.697 176.997 176.300 -0.000 0.000 0.963 234 D CA 0.462 54.465 54.000 0.004 0.000 0.864 234 D CB 0.080 40.884 40.800 0.006 0.000 0.936 234 D HN 0.292 nan 8.370 nan 0.000 0.505 235 A N 1.025 123.846 122.820 0.002 0.000 2.488 235 A HA 0.202 4.521 4.320 -0.002 0.000 0.249 235 A C -1.374 176.208 177.584 -0.003 0.000 1.083 235 A CA -0.902 51.136 52.037 0.001 0.000 0.768 235 A CB 0.400 19.402 19.000 0.005 0.000 1.017 235 A HN -0.023 nan 8.150 nan 0.000 0.496 236 P HA -0.182 nan 4.420 nan 0.000 0.216 236 P C 0.775 178.071 177.300 -0.006 0.000 1.153 236 P CA 1.600 64.692 63.100 -0.012 0.000 0.858 236 P CB 0.174 31.867 31.700 -0.013 0.000 0.789 237 E N -1.040 119.163 120.200 0.005 0.000 2.338 237 E HA -0.085 4.264 4.350 -0.002 0.000 0.197 237 E C 1.964 178.587 176.600 0.037 0.000 1.007 237 E CA 0.934 57.346 56.400 0.021 0.000 0.849 237 E CB -0.759 28.955 29.700 0.022 0.000 0.774 237 E HN 0.205 nan 8.360 nan 0.000 0.506 238 S N 0.327 116.040 115.700 0.023 0.000 2.371 238 S HA -0.040 4.429 4.470 -0.002 0.000 0.224 238 S C 1.523 176.160 174.600 0.062 0.000 1.029 238 S CA 1.038 59.259 58.200 0.036 0.000 0.978 238 S CB 0.056 63.262 63.200 0.011 0.000 0.833 238 S HN 0.192 nan 8.310 nan 0.000 0.466 239 K N 0.099 120.487 120.400 -0.020 0.000 2.380 239 K HA 0.199 4.518 4.320 -0.002 0.000 0.198 239 K C 2.007 178.521 176.600 -0.143 0.000 1.070 239 K CA 0.379 56.577 56.287 -0.148 0.000 1.040 239 K CB 0.171 32.541 32.500 -0.217 0.000 0.903 239 K HN 0.321 nan 8.250 nan 0.000 0.549 240 G N 1.331 110.095 108.800 -0.059 0.000 2.470 240 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.220 240 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.220 240 G C 1.192 176.085 174.900 -0.011 0.000 1.121 240 G CA 0.932 46.007 45.100 -0.041 0.000 0.766 240 G HN 0.293 nan 8.290 nan 0.000 0.553 241 A N 0.352 123.188 122.820 0.027 0.000 2.503 241 A HA 0.426 4.745 4.320 -0.002 0.000 0.263 241 A C 1.926 179.547 177.584 0.062 0.000 1.258 241 A CA 0.143 52.229 52.037 0.082 0.000 0.936 241 A CB -0.167 18.953 19.000 0.200 0.000 1.070 241 A HN 0.502 nan 8.150 nan 0.000 0.522 242 I N -1.988 118.572 120.570 -0.017 0.000 2.493 242 I HA -0.127 4.042 4.170 -0.002 0.000 0.254 242 I C 2.039 178.291 176.117 0.224 0.000 1.160 242 I CA 1.888 63.219 61.300 0.052 0.000 1.445 242 I CB -1.000 36.698 38.000 -0.503 0.000 1.086 242 I HN 0.232 nan 8.210 nan 0.000 0.433 243 T N -0.410 114.180 114.554 0.060 0.000 2.962 243 T HA -0.006 4.343 4.350 -0.002 0.000 0.270 243 T C 1.866 176.581 174.700 0.025 0.000 1.088 243 T CA 0.684 62.819 62.100 0.058 0.000 1.127 243 T CB -0.455 68.416 68.868 0.006 0.000 0.883 243 T HN 0.290 nan 8.240 nan 0.000 0.493 244 I N 2.369 122.946 120.570 0.012 0.000 2.286 244 I HA -0.033 4.136 4.170 -0.002 0.000 0.248 244 I C 3.078 179.117 176.117 -0.129 0.000 1.115 244 I CA 1.111 62.379 61.300 -0.053 0.000 1.392 244 I CB -1.764 36.188 38.000 -0.080 0.000 1.065 244 I HN 0.389 nan 8.210 nan 0.000 0.418 245 A N 0.268 123.008 122.820 -0.134 0.000 1.972 245 A HA -0.171 4.148 4.320 -0.002 0.000 0.219 245 A C 2.429 179.794 177.584 -0.365 0.000 1.169 245 A CA 2.216 54.059 52.037 -0.322 0.000 0.635 245 A CB -0.887 17.801 19.000 -0.520 0.000 0.810 245 A HN 0.412 nan 8.150 nan 0.000 0.446 246 T N -0.532 113.877 114.554 -0.243 0.000 2.809 246 T HA -0.073 4.276 4.350 -0.002 0.000 0.260 246 T C 2.076 176.691 174.700 -0.143 0.000 1.039 246 T CA 1.285 63.262 62.100 -0.205 0.000 1.141 246 T CB -0.193 68.627 68.868 -0.080 0.000 0.869 246 T HN 0.520 nan 8.240 nan 0.000 0.437 247 R N 1.135 121.575 120.500 -0.100 0.000 2.091 247 R HA -0.049 4.290 4.340 -0.002 0.000 0.238 247 R C 2.014 178.256 176.300 -0.096 0.000 1.136 247 R CA 1.094 57.146 56.100 -0.080 0.000 0.959 247 R CB -0.135 30.132 30.300 -0.055 0.000 0.856 247 R HN 0.327 nan 8.270 nan 0.000 0.437 248 E N 0.902 121.033 120.200 -0.116 0.000 2.489 248 E HA -0.002 4.347 4.350 -0.002 0.000 0.193 248 E C -0.267 176.260 176.600 -0.123 0.000 1.057 248 E CA 0.088 56.425 56.400 -0.104 0.000 0.866 248 E CB 0.115 29.755 29.700 -0.099 0.000 0.916 248 E HN 0.228 nan 8.360 nan 0.000 0.500 249 K N 0.941 121.244 120.400 -0.163 0.000 3.730 249 K HA -0.178 4.141 4.320 -0.002 0.000 0.276 249 K C -0.292 176.182 176.600 -0.209 0.000 0.904 249 K CA 0.189 56.365 56.287 -0.184 0.000 0.741 249 K CB -1.719 30.706 32.500 -0.124 0.000 1.542 249 K HN 0.197 nan 8.250 nan 0.000 0.446 250 L N 2.320 123.366 121.223 -0.295 0.000 2.391 250 L HA 0.028 4.367 4.340 -0.002 0.000 0.249 250 L C 0.963 177.628 176.870 -0.342 0.000 1.308 250 L CA -0.230 54.428 54.840 -0.302 0.000 1.209 250 L CB -0.316 41.535 42.059 -0.348 0.000 1.401 250 L HN 0.318 nan 8.230 nan 0.000 0.416 251 D N -0.877 119.367 120.400 -0.259 0.000 2.338 251 D HA -0.124 4.515 4.640 -0.002 0.000 0.239 251 D C 1.014 177.184 176.300 -0.217 0.000 1.095 251 D CA 0.132 53.986 54.000 -0.243 0.000 0.888 251 D CB -0.131 40.562 40.800 -0.178 0.000 0.899 251 D HN 0.420 nan 8.370 nan 0.000 0.525 252 N N 0.162 118.730 118.700 -0.220 0.000 2.234 252 N HA 0.094 4.833 4.740 -0.002 0.000 0.227 252 N C -0.414 174.951 175.510 -0.241 0.000 1.151 252 N CA -0.471 52.462 53.050 -0.195 0.000 0.865 252 N CB 0.301 38.700 38.487 -0.146 0.000 1.066 252 N HN 0.208 nan 8.380 nan 0.000 0.515 253 L N 0.419 121.467 121.223 -0.292 0.000 2.362 253 L HA 0.644 4.983 4.340 -0.002 0.000 0.275 253 L C -1.415 175.282 176.870 -0.289 0.000 0.998 253 L CA -0.818 53.849 54.840 -0.288 0.000 0.820 253 L CB 2.166 44.032 42.059 -0.323 0.000 1.270 253 L HN -0.126 nan 8.230 nan 0.000 0.415 254 V N 5.282 125.078 119.914 -0.197 0.000 2.525 254 V HA 0.476 4.595 4.120 -0.002 0.000 0.299 254 V C -0.857 175.338 176.094 0.168 0.000 1.034 254 V CA -0.467 61.773 62.300 -0.101 0.000 0.863 254 V CB 1.528 33.225 31.823 -0.211 0.000 0.999 254 V HN 0.490 nan 8.190 nan 0.000 0.423 255 F N 3.718 123.635 119.950 -0.056 0.000 2.408 255 F HA 0.624 5.150 4.527 -0.001 0.000 0.344 255 F C 0.172 175.790 175.800 -0.304 0.000 1.112 255 F CA -1.201 56.720 58.000 -0.132 0.000 1.096 255 F CB 1.964 40.905 39.000 -0.098 0.000 1.129 255 F HN 0.172 nan 8.300 nan 0.000 0.486 256 V N 6.278 126.023 119.914 -0.282 0.000 2.326 256 V HA 0.372 4.491 4.120 -0.002 0.000 0.281 256 V C 0.001 175.941 176.094 -0.258 0.000 1.015 256 V CA -0.591 61.481 62.300 -0.379 0.000 0.823 256 V CB 1.251 32.681 31.823 -0.655 0.000 1.009 256 V HN 0.456 nan 8.190 nan 0.000 0.436 257 I N 4.223 124.657 120.570 -0.227 0.000 2.312 257 I HA 0.340 4.509 4.170 -0.002 0.000 0.290 257 I C 0.236 176.286 176.117 -0.112 0.000 1.008 257 I CA -0.401 60.802 61.300 -0.163 0.000 1.226 257 I CB 1.262 39.143 38.000 -0.199 0.000 1.371 257 I HN 0.472 nan 8.210 nan 0.000 0.468 258 N N 6.535 125.214 118.700 -0.035 0.000 2.415 258 N HA 0.103 4.843 4.740 -0.002 0.000 0.250 258 N C -0.810 174.696 175.510 -0.007 0.000 1.127 258 N CA -0.276 52.768 53.050 -0.009 0.000 0.945 258 N CB 0.504 39.033 38.487 0.069 0.000 1.196 258 N HN 0.546 nan 8.380 nan 0.000 0.499 259 C N 4.310 123.588 119.300 -0.036 0.000 2.225 259 C HA 0.214 4.673 4.460 -0.002 0.000 0.437 259 C C 1.310 176.336 174.990 0.060 0.000 1.039 259 C CA -0.940 58.074 59.018 -0.006 0.000 1.406 259 C CB -1.866 25.834 27.740 -0.065 0.000 1.548 259 C HN 0.711 nan 8.230 nan 0.000 0.515 260 N N 1.030 119.770 118.700 0.067 0.000 2.322 260 N HA 0.097 4.836 4.740 -0.002 0.000 0.194 260 N C 0.870 176.447 175.510 0.112 0.000 1.126 260 N CA -0.185 52.918 53.050 0.089 0.000 0.845 260 N CB -0.435 38.112 38.487 0.101 0.000 0.976 260 N HN 0.641 nan 8.380 nan 0.000 0.475 261 L N -2.566 118.719 121.223 0.103 0.000 4.988 261 L HA -0.314 4.025 4.340 -0.002 0.000 0.439 261 L C -0.664 176.261 176.870 0.092 0.000 1.080 261 L CA 1.208 56.109 54.840 0.102 0.000 1.018 261 L CB -1.672 40.473 42.059 0.143 0.000 1.945 261 L HN 0.438 nan 8.230 nan 0.000 0.782 262 Q N -0.225 119.630 119.800 0.091 0.000 2.413 262 Q HA 0.358 4.697 4.340 -0.002 0.000 0.258 262 Q C 0.689 176.734 176.000 0.074 0.000 1.037 262 Q CA -0.414 55.439 55.803 0.084 0.000 0.764 262 Q CB 2.154 30.949 28.738 0.096 0.000 1.217 262 Q HN 0.188 nan 8.270 nan 0.000 0.490 263 R N 2.247 122.781 120.500 0.058 0.000 2.340 263 R HA -0.082 4.257 4.340 -0.002 0.000 0.199 263 R C 1.163 177.486 176.300 0.039 0.000 0.998 263 R CA 2.006 58.131 56.100 0.042 0.000 0.874 263 R CB 0.091 30.410 30.300 0.032 0.000 0.721 263 R HN 0.653 nan 8.270 nan 0.000 0.473 264 L N -2.995 118.249 121.223 0.035 0.000 3.481 264 L HA 0.225 4.564 4.340 -0.002 0.000 0.338 264 L C -0.791 176.107 176.870 0.046 0.000 1.039 264 L CA 0.127 54.992 54.840 0.040 0.000 1.313 264 L CB 0.998 43.067 42.059 0.016 0.000 2.046 264 L HN 0.305 nan 8.230 nan 0.000 0.609 265 D N 0.938 121.360 120.400 0.037 0.000 2.861 265 D HA 0.589 5.228 4.640 -0.002 0.000 0.357 265 D C -0.001 176.320 176.300 0.034 0.000 1.250 265 D CA 0.808 54.829 54.000 0.036 0.000 0.802 265 D CB 1.162 41.979 40.800 0.029 0.000 1.141 265 D HN 0.417 nan 8.370 nan 0.000 0.489 266 G N 1.414 110.239 108.800 0.041 0.000 2.408 266 G HA2 -0.048 3.911 3.960 -0.002 0.000 0.682 266 G HA3 -0.048 3.911 3.960 -0.002 0.000 0.682 266 G C -3.037 171.891 174.900 0.046 0.000 1.303 266 G CA -1.238 43.887 45.100 0.041 0.000 0.966 266 G HN 0.010 nan 8.290 nan 0.000 0.560 267 P HA 0.421 nan 4.420 nan 0.000 0.276 267 P C 1.238 178.564 177.300 0.044 0.000 1.252 267 P CA -0.141 62.992 63.100 0.054 0.000 0.802 267 P CB 1.488 33.225 31.700 0.061 0.000 1.035 268 V N 0.374 120.314 119.914 0.045 0.000 2.295 268 V HA -0.081 4.038 4.120 -0.002 0.000 0.246 268 V C 1.303 177.416 176.094 0.031 0.000 1.049 268 V CA 2.545 64.866 62.300 0.035 0.000 1.024 268 V CB -1.277 30.566 31.823 0.033 0.000 0.648 268 V HN 0.879 nan 8.190 nan 0.000 0.447 269 T N -3.094 111.482 114.554 0.037 0.000 3.335 269 T HA 0.513 4.862 4.350 -0.002 0.000 0.321 269 T C 0.513 175.237 174.700 0.041 0.000 0.960 269 T CA 0.068 62.188 62.100 0.032 0.000 1.034 269 T CB 1.175 70.059 68.868 0.026 0.000 1.040 269 T HN 0.211 nan 8.240 nan 0.000 0.454 270 G N 2.121 110.943 108.800 0.037 0.000 2.430 270 G HA2 -0.048 3.911 3.960 -0.002 0.000 0.216 270 G HA3 -0.048 3.911 3.960 -0.002 0.000 0.216 270 G C 1.219 176.140 174.900 0.035 0.000 1.146 270 G CA 0.030 45.154 45.100 0.041 0.000 0.793 270 G HN 0.661 nan 8.290 nan 0.000 0.537 271 N N 0.884 119.599 118.700 0.025 0.000 2.424 271 N HA 0.063 4.802 4.740 -0.002 0.000 0.178 271 N C 1.305 176.825 175.510 0.016 0.000 1.060 271 N CA 0.733 53.794 53.050 0.018 0.000 0.901 271 N CB 0.564 39.059 38.487 0.013 0.000 0.979 271 N HN 0.338 nan 8.380 nan 0.000 0.451 272 G N 0.144 108.955 108.800 0.020 0.000 3.008 272 G HA2 0.501 4.460 3.960 -0.002 0.000 0.181 272 G HA3 0.501 4.460 3.960 -0.002 0.000 0.181 272 G C -0.782 174.128 174.900 0.017 0.000 1.309 272 G CA -0.379 44.729 45.100 0.013 0.000 1.009 272 G HN -0.059 nan 8.290 nan 0.000 0.584 273 K N 0.252 120.658 120.400 0.010 0.000 2.664 273 K HA 0.245 4.564 4.320 -0.002 0.000 0.234 273 K C 0.363 176.981 176.600 0.030 0.000 0.980 273 K CA -0.607 55.687 56.287 0.011 0.000 0.996 273 K CB 2.145 34.617 32.500 -0.047 0.000 1.190 273 K HN 0.268 nan 8.250 nan 0.000 0.479 274 I N 2.929 123.519 120.570 0.034 0.000 2.248 274 I HA -0.265 3.904 4.170 -0.002 0.000 0.248 274 I C 1.501 177.624 176.117 0.011 0.000 1.107 274 I CA 1.661 62.974 61.300 0.022 0.000 1.373 274 I CB 0.004 38.017 38.000 0.021 0.000 1.055 274 I HN 0.650 nan 8.210 nan 0.000 0.418 275 I N 0.303 120.879 120.570 0.011 0.000 2.226 275 I HA -0.291 3.878 4.170 -0.002 0.000 0.245 275 I C 2.019 178.143 176.117 0.012 0.000 1.100 275 I CA 1.156 62.439 61.300 -0.029 0.000 1.374 275 I CB -0.642 37.305 38.000 -0.088 0.000 1.057 275 I HN 0.278 nan 8.210 nan 0.000 0.413 276 N N 0.635 119.376 118.700 0.069 0.000 2.188 276 N HA -0.211 4.528 4.740 -0.002 0.000 0.184 276 N C 1.738 177.267 175.510 0.032 0.000 1.018 276 N CA 1.104 54.188 53.050 0.058 0.000 0.858 276 N CB -0.233 38.289 38.487 0.059 0.000 0.989 276 N HN 0.426 nan 8.380 nan 0.000 0.426 277 E N 0.620 120.836 120.200 0.027 0.000 2.047 277 E HA -0.105 4.245 4.350 -0.002 0.000 0.191 277 E C 1.859 178.481 176.600 0.037 0.000 0.987 277 E CA 0.699 57.112 56.400 0.022 0.000 0.799 277 E CB -0.041 29.669 29.700 0.017 0.000 0.752 277 E HN 0.261 nan 8.360 nan 0.000 0.449 278 L N 0.768 122.020 121.223 0.048 0.000 2.046 278 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 278 L C 2.787 179.746 176.870 0.148 0.000 1.077 278 L CA 1.622 56.533 54.840 0.119 0.000 0.747 278 L CB -0.504 41.576 42.059 0.035 0.000 0.896 278 L HN 0.286 nan 8.230 nan 0.000 0.432 279 E N 0.387 120.612 120.200 0.042 0.000 2.051 279 E HA -0.198 4.151 4.350 -0.002 0.000 0.192 279 E C 2.192 178.827 176.600 0.059 0.000 0.991 279 E CA 1.292 57.710 56.400 0.031 0.000 0.799 279 E CB -0.232 29.462 29.700 -0.010 0.000 0.748 279 E HN 0.419 nan 8.360 nan 0.000 0.449 280 G N 1.659 110.482 108.800 0.039 0.000 2.491 280 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.218 280 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.218 280 G C 1.630 176.534 174.900 0.007 0.000 1.180 280 G CA 0.981 46.094 45.100 0.022 0.000 0.774 280 G HN 0.413 nan 8.290 nan 0.000 0.562 281 I N -1.204 119.361 120.570 -0.008 0.000 2.353 281 I HA 0.051 4.220 4.170 -0.002 0.000 0.248 281 I C 2.338 178.349 176.117 -0.177 0.000 1.119 281 I CA 0.710 61.950 61.300 -0.100 0.000 1.417 281 I CB 0.037 37.942 38.000 -0.159 0.000 1.078 281 I HN 0.155 nan 8.210 nan 0.000 0.421 282 F N 1.128 120.971 119.950 -0.177 0.000 2.206 282 F HA -0.183 4.343 4.527 -0.002 0.000 0.298 282 F C 2.468 178.223 175.800 -0.075 0.000 1.090 282 F CA 1.535 59.378 58.000 -0.261 0.000 1.323 282 F CB -0.295 38.501 39.000 -0.339 0.000 1.028 282 F HN 0.087 nan 8.300 nan 0.000 0.492 283 E N 0.215 120.495 120.200 0.133 0.000 2.072 283 E HA -0.100 4.249 4.350 -0.002 0.000 0.191 283 E C 2.461 179.096 176.600 0.058 0.000 0.985 283 E CA 1.419 57.876 56.400 0.096 0.000 0.801 283 E CB -0.795 28.939 29.700 0.056 0.000 0.750 283 E HN 0.255 nan 8.360 nan 0.000 0.452 284 G N -0.108 108.702 108.800 0.017 0.000 2.448 284 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.219 284 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.219 284 G C 1.498 176.395 174.900 -0.004 0.000 1.127 284 G CA 0.704 45.801 45.100 -0.005 0.000 0.766 284 G HN 0.403 nan 8.290 nan 0.000 0.552 285 A N -0.464 122.351 122.820 -0.008 0.000 2.238 285 A HA 0.471 4.790 4.320 -0.002 0.000 0.208 285 A C 1.988 179.663 177.584 0.152 0.000 1.177 285 A CA 1.283 53.338 52.037 0.030 0.000 0.804 285 A CB -0.358 18.597 19.000 -0.074 0.000 0.823 285 A HN 1.542 nan 8.150 nan 0.000 0.482 286 G N -2.888 105.999 108.800 0.144 0.000 2.157 286 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.239 286 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.239 286 G C -0.152 174.842 174.900 0.157 0.000 0.982 286 G CA 0.034 45.201 45.100 0.111 0.000 0.650 286 G HN 0.354 nan 8.290 nan 0.000 0.527 287 W N 0.586 121.871 121.300 -0.024 0.000 2.215 287 W HA 0.611 5.271 4.660 -0.001 0.000 0.342 287 W C 0.570 177.067 176.519 -0.036 0.000 1.237 287 W CA -0.645 56.689 57.345 -0.019 0.000 1.283 287 W CB 0.476 29.996 29.460 0.100 0.000 1.131 287 W HN 0.189 nan 8.180 nan 0.000 0.606 288 N N 1.170 119.956 118.700 0.143 0.000 2.406 288 N HA 0.290 5.029 4.740 -0.002 0.000 0.251 288 N C -1.548 173.990 175.510 0.047 0.000 1.069 288 N CA -0.100 52.973 53.050 0.038 0.000 0.947 288 N CB 0.592 39.049 38.487 -0.050 0.000 1.111 288 N HN 0.117 nan 8.380 nan 0.000 0.497 289 V N 5.357 125.281 119.914 0.016 0.000 2.394 289 V HA 0.412 4.531 4.120 -0.002 0.000 0.282 289 V C 0.320 176.353 176.094 -0.102 0.000 1.031 289 V CA -0.586 61.682 62.300 -0.053 0.000 0.881 289 V CB 0.817 32.617 31.823 -0.038 0.000 0.982 289 V HN 0.579 nan 8.190 nan 0.000 0.451 290 I N 5.101 125.575 120.570 -0.160 0.000 2.420 290 I HA 0.406 4.575 4.170 -0.002 0.000 0.282 290 I C -0.152 175.834 176.117 -0.219 0.000 1.019 290 I CA -0.603 60.591 61.300 -0.177 0.000 1.130 290 I CB 1.504 39.383 38.000 -0.202 0.000 1.262 290 I HN 0.499 nan 8.210 nan 0.000 0.454 291 K N 5.148 125.423 120.400 -0.209 0.000 2.248 291 K HA 0.453 4.772 4.320 -0.002 0.000 0.281 291 K C -0.563 175.871 176.600 -0.277 0.000 1.054 291 K CA -0.423 55.702 56.287 -0.269 0.000 0.903 291 K CB 1.948 34.273 32.500 -0.291 0.000 1.077 291 K HN 0.311 nan 8.250 nan 0.000 0.474 292 V N 5.854 125.587 119.914 -0.302 0.000 2.217 292 V HA 0.050 4.169 4.120 -0.002 0.000 0.264 292 V C 0.692 176.561 176.094 -0.376 0.000 1.107 292 V CA -0.317 61.822 62.300 -0.267 0.000 0.913 292 V CB 0.445 32.143 31.823 -0.209 0.000 1.153 292 V HN 0.834 nan 8.190 nan 0.000 0.469 293 M N 1.107 120.376 119.600 -0.551 0.000 2.191 293 M HA 0.169 4.648 4.480 -0.002 0.000 0.262 293 M C 0.410 176.045 176.300 -1.108 0.000 1.083 293 M CA 1.289 55.961 55.300 -1.046 0.000 1.154 293 M CB -0.236 31.457 32.600 -1.512 0.000 1.344 293 M HN 0.508 nan 8.290 nan 0.000 0.431 294 W N -0.381 120.788 121.300 -0.218 0.000 2.781 294 W HA 0.635 5.294 4.660 -0.002 0.000 0.345 294 W C 0.664 177.203 176.519 0.033 0.000 1.085 294 W CA -1.256 55.960 57.345 -0.214 0.000 1.198 294 W CB 0.473 29.579 29.460 -0.590 0.000 1.423 294 W HN 0.127 nan 8.180 nan 0.000 0.532 295 G N 0.179 109.269 108.800 0.484 0.000 2.653 295 G HA2 0.178 4.138 3.960 -0.002 0.000 0.265 295 G HA3 0.178 4.138 3.960 -0.002 0.000 0.265 295 G C 0.647 175.785 174.900 0.396 0.000 1.237 295 G CA -0.421 44.902 45.100 0.371 0.000 0.946 295 G HN 0.523 nan 8.290 nan 0.000 0.522 296 S N -0.613 115.242 115.700 0.258 0.000 2.419 296 S HA -0.106 4.363 4.470 -0.002 0.000 0.233 296 S C 2.383 177.126 174.600 0.238 0.000 1.016 296 S CA 0.913 59.244 58.200 0.217 0.000 0.974 296 S CB -0.171 63.110 63.200 0.135 0.000 0.786 296 S HN 0.547 nan 8.310 nan 0.000 0.492 297 R N -0.287 120.352 120.500 0.232 0.000 2.193 297 R HA -0.099 4.240 4.340 -0.002 0.000 0.229 297 R C 1.569 177.985 176.300 0.193 0.000 1.110 297 R CA 1.303 57.504 56.100 0.168 0.000 0.988 297 R CB -0.240 30.108 30.300 0.081 0.000 0.871 297 R HN 0.494 nan 8.270 nan 0.000 0.458 298 W N 0.926 122.338 121.300 0.188 0.000 2.576 298 W HA -0.005 4.655 4.660 -0.001 0.000 0.270 298 W C 1.539 178.128 176.519 0.117 0.000 1.255 298 W CA 0.246 57.665 57.345 0.124 0.000 1.314 298 W CB -0.001 29.493 29.460 0.056 0.000 1.101 298 W HN 0.015 nan 8.180 nan 0.000 0.595 299 D N 0.546 121.154 120.400 0.347 0.000 2.133 299 D HA -0.244 4.395 4.640 -0.002 0.000 0.195 299 D C 1.721 178.138 176.300 0.196 0.000 0.997 299 D CA 1.844 55.988 54.000 0.240 0.000 0.840 299 D CB -0.412 40.504 40.800 0.193 0.000 0.947 299 D HN 0.214 nan 8.370 nan 0.000 0.452 300 E N 0.710 121.032 120.200 0.202 0.000 2.051 300 E HA -0.102 4.247 4.350 -0.002 0.000 0.192 300 E C 2.360 179.061 176.600 0.169 0.000 0.991 300 E CA 0.584 57.093 56.400 0.182 0.000 0.799 300 E CB -0.343 29.487 29.700 0.217 0.000 0.748 300 E HN 0.252 nan 8.360 nan 0.000 0.449 301 L N -0.068 121.257 121.223 0.169 0.000 2.042 301 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 301 L C 2.527 179.466 176.870 0.115 0.000 1.076 301 L CA 1.064 55.954 54.840 0.083 0.000 0.749 301 L CB -0.517 41.542 42.059 -0.000 0.000 0.893 301 L HN 0.221 nan 8.230 nan 0.000 0.432 302 L N -0.848 120.470 121.223 0.159 0.000 2.131 302 L HA -0.183 4.156 4.340 -0.002 0.000 0.210 302 L C 2.860 179.790 176.870 0.101 0.000 1.092 302 L CA 1.084 56.004 54.840 0.133 0.000 0.759 302 L CB -0.453 41.696 42.059 0.151 0.000 0.903 302 L HN 0.221 nan 8.230 nan 0.000 0.435 303 R N 0.190 120.751 120.500 0.103 0.000 2.066 303 R HA -0.125 4.214 4.340 -0.002 0.000 0.232 303 R C 2.346 178.686 176.300 0.067 0.000 1.131 303 R CA 1.200 57.349 56.100 0.081 0.000 0.955 303 R CB -0.089 30.261 30.300 0.084 0.000 0.851 303 R HN 0.324 nan 8.270 nan 0.000 0.432 304 K N 0.614 121.057 120.400 0.071 0.000 2.057 304 K HA -0.149 4.170 4.320 -0.002 0.000 0.207 304 K C 0.562 177.188 176.600 0.043 0.000 1.049 304 K CA 0.963 57.283 56.287 0.055 0.000 0.931 304 K CB -0.348 32.186 32.500 0.057 0.000 0.714 304 K HN 0.057 nan 8.250 nan 0.000 0.440 305 D N 1.270 121.698 120.400 0.047 0.000 2.497 305 D HA -0.078 4.561 4.640 -0.002 0.000 0.285 305 D C 0.804 177.121 176.300 0.029 0.000 1.452 305 D CA 0.369 54.391 54.000 0.037 0.000 1.132 305 D CB 0.487 41.317 40.800 0.050 0.000 1.132 305 D HN 0.263 nan 8.370 nan 0.000 0.555 306 T N -0.970 113.596 114.554 0.019 0.000 3.044 306 T HA -0.079 4.270 4.350 -0.002 0.000 0.255 306 T C 1.743 176.445 174.700 0.003 0.000 1.073 306 T CA 0.507 62.615 62.100 0.014 0.000 1.125 306 T CB -0.168 68.708 68.868 0.014 0.000 0.908 306 T HN 0.261 nan 8.240 nan 0.000 0.480 307 S N 0.823 116.520 115.700 -0.005 0.000 2.593 307 S HA 0.393 4.862 4.470 -0.002 0.000 0.217 307 S C 1.952 176.532 174.600 -0.032 0.000 0.966 307 S CA 0.249 58.436 58.200 -0.022 0.000 0.914 307 S CB -0.862 62.319 63.200 -0.031 0.000 0.776 307 S HN 1.087 nan 8.310 nan 0.000 0.523 308 G N 1.547 110.337 108.800 -0.016 0.000 2.233 308 G HA2 -0.386 3.573 3.960 -0.002 0.000 0.270 308 G HA3 -0.386 3.573 3.960 -0.002 0.000 0.270 308 G C 0.769 175.641 174.900 -0.046 0.000 1.011 308 G CA 0.822 45.912 45.100 -0.016 0.000 0.762 308 G HN 0.551 nan 8.290 nan 0.000 0.511 309 K N -0.547 119.813 120.400 -0.066 0.000 2.155 309 K HA 0.225 4.544 4.320 -0.002 0.000 0.203 309 K C 2.367 178.916 176.600 -0.085 0.000 1.052 309 K CA 1.367 57.573 56.287 -0.135 0.000 0.948 309 K CB -0.273 32.138 32.500 -0.148 0.000 0.728 309 K HN 0.416 nan 8.250 nan 0.000 0.448 310 L N 0.589 121.803 121.223 -0.015 0.000 2.046 310 L HA -0.099 4.240 4.340 -0.002 0.000 0.208 310 L C 1.656 178.538 176.870 0.019 0.000 1.077 310 L CA 1.584 56.434 54.840 0.017 0.000 0.747 310 L CB -0.433 41.674 42.059 0.081 0.000 0.896 310 L HN 0.145 nan 8.230 nan 0.000 0.432 311 I N -0.370 120.218 120.570 0.030 0.000 2.226 311 I HA -0.314 3.855 4.170 -0.002 0.000 0.245 311 I C 2.533 178.682 176.117 0.053 0.000 1.100 311 I CA 1.522 62.857 61.300 0.059 0.000 1.374 311 I CB -1.324 36.707 38.000 0.052 0.000 1.057 311 I HN 0.556 nan 8.210 nan 0.000 0.413 312 Q N 0.608 120.404 119.800 -0.006 0.000 2.050 312 Q HA -0.245 4.094 4.340 -0.002 0.000 0.202 312 Q C 2.370 178.374 176.000 0.007 0.000 0.980 312 Q CA 1.626 57.411 55.803 -0.029 0.000 0.840 312 Q CB -0.124 28.534 28.738 -0.134 0.000 0.898 312 Q HN 0.364 nan 8.270 nan 0.000 0.424 313 L N 0.553 121.773 121.223 -0.005 0.000 2.012 313 L HA -0.208 4.131 4.340 -0.002 0.000 0.210 313 L C 2.191 179.089 176.870 0.047 0.000 1.073 313 L CA 1.944 56.782 54.840 -0.004 0.000 0.748 313 L CB -0.442 41.506 42.059 -0.186 0.000 0.891 313 L HN 0.345 nan 8.230 nan 0.000 0.431 314 M N -0.834 118.852 119.600 0.143 0.000 2.159 314 M HA -0.173 4.306 4.480 -0.002 0.000 0.263 314 M C 1.886 178.376 176.300 0.318 0.000 1.063 314 M CA 1.426 56.962 55.300 0.392 0.000 1.110 314 M CB -0.604 32.237 32.600 0.402 0.000 1.374 314 M HN 0.326 nan 8.290 nan 0.000 0.411 315 N N 0.953 119.765 118.700 0.188 0.000 2.142 315 N HA -0.156 4.583 4.740 -0.002 0.000 0.186 315 N C 1.574 177.097 175.510 0.021 0.000 1.023 315 N CA 1.690 54.799 53.050 0.098 0.000 0.852 315 N CB -0.401 38.139 38.487 0.088 0.000 0.998 315 N HN 0.606 nan 8.380 nan 0.000 0.424 316 E N 0.098 120.324 120.200 0.043 0.000 2.208 316 E HA -0.026 4.323 4.350 -0.002 0.000 0.193 316 E C -0.001 176.604 176.600 0.009 0.000 0.988 316 E CA 0.553 56.969 56.400 0.026 0.000 0.828 316 E CB -0.435 29.296 29.700 0.052 0.000 0.763 316 E HN -0.043 nan 8.360 nan 0.000 0.478 317 T N 2.151 116.717 114.554 0.020 0.000 2.888 317 T HA 0.210 4.559 4.350 -0.002 0.000 0.301 317 T C -0.043 174.613 174.700 -0.074 0.000 1.001 317 T CA -0.324 61.742 62.100 -0.057 0.000 1.147 317 T CB 1.500 70.276 68.868 -0.152 0.000 0.931 317 T HN -0.041 nan 8.240 nan 0.000 0.541 318 V N 3.235 123.110 119.914 -0.066 0.000 2.966 318 V HA 0.156 4.275 4.120 -0.002 0.000 0.317 318 V C 1.319 177.484 176.094 0.118 0.000 1.070 318 V CA -0.670 61.635 62.300 0.009 0.000 1.008 318 V CB 1.619 33.444 31.823 0.003 0.000 1.070 318 V HN 0.828 nan 8.190 nan 0.000 0.457 319 D N 2.779 123.285 120.400 0.177 0.000 2.154 319 D HA -0.196 4.443 4.640 -0.002 0.000 0.190 319 D C 2.059 178.479 176.300 0.199 0.000 1.003 319 D CA 2.041 56.194 54.000 0.255 0.000 0.849 319 D CB -0.504 40.388 40.800 0.153 0.000 0.942 319 D HN 0.795 nan 8.370 nan 0.000 0.446 320 G N 1.255 110.114 108.800 0.098 0.000 2.513 320 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.219 320 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.219 320 G C 1.320 176.228 174.900 0.014 0.000 1.160 320 G CA 1.308 46.439 45.100 0.052 0.000 0.767 320 G HN 0.217 nan 8.290 nan 0.000 0.571 321 D N -0.016 120.369 120.400 -0.025 0.000 2.092 321 D HA -0.123 4.516 4.640 -0.002 0.000 0.193 321 D C 2.208 178.443 176.300 -0.107 0.000 0.994 321 D CA 1.076 54.986 54.000 -0.151 0.000 0.828 321 D CB -0.339 40.387 40.800 -0.123 0.000 0.963 321 D HN 0.393 nan 8.370 nan 0.000 0.450 322 Y N 1.375 121.804 120.300 0.216 0.000 2.207 322 Y HA -0.134 4.415 4.550 -0.002 0.000 0.287 322 Y C 2.579 178.619 175.900 0.233 0.000 1.156 322 Y CA 0.872 59.177 58.100 0.342 0.000 1.182 322 Y CB -0.291 38.380 38.460 0.352 0.000 0.979 322 Y HN -0.035 nan 8.280 nan 0.000 0.521 323 Q N -0.845 119.123 119.800 0.279 0.000 2.369 323 Q HA -0.081 4.258 4.340 -0.002 0.000 0.206 323 Q C 2.068 178.123 176.000 0.090 0.000 0.963 323 Q CA 1.268 57.179 55.803 0.180 0.000 0.894 323 Q CB -0.529 28.289 28.738 0.133 0.000 0.965 323 Q HN 0.455 nan 8.270 nan 0.000 0.475 324 T N 0.705 115.246 114.554 -0.022 0.000 2.698 324 T HA -0.061 4.288 4.350 -0.002 0.000 0.260 324 T C 1.456 176.080 174.700 -0.127 0.000 1.044 324 T CA 0.907 62.906 62.100 -0.170 0.000 1.149 324 T CB -0.320 68.327 68.868 -0.369 0.000 0.864 324 T HN 0.148 nan 8.240 nan 0.000 0.419 325 F N 1.922 121.943 119.950 0.118 0.000 2.192 325 F HA -0.073 4.453 4.527 -0.002 0.000 0.301 325 F C 2.303 178.259 175.800 0.259 0.000 1.079 325 F CA 0.835 58.949 58.000 0.189 0.000 1.303 325 F CB -0.598 38.529 39.000 0.213 0.000 1.024 325 F HN 0.105 nan 8.300 nan 0.000 0.494 326 K N 0.546 121.161 120.400 0.358 0.000 2.127 326 K HA -0.232 4.087 4.320 -0.002 0.000 0.208 326 K C 2.140 178.975 176.600 0.393 0.000 1.047 326 K CA 1.896 58.351 56.287 0.280 0.000 0.927 326 K CB -0.177 32.441 32.500 0.197 0.000 0.716 326 K HN 0.416 nan 8.250 nan 0.000 0.450 327 S N -0.401 115.454 115.700 0.258 0.000 2.456 327 S HA 0.078 4.547 4.470 -0.002 0.000 0.224 327 S C 1.039 175.684 174.600 0.076 0.000 1.035 327 S CA -0.307 57.995 58.200 0.171 0.000 0.940 327 S CB 0.060 63.280 63.200 0.033 0.000 0.799 327 S HN 0.064 nan 8.310 nan 0.000 0.508 328 K N 2.441 122.821 120.400 -0.033 0.000 2.943 328 K HA 0.213 4.532 4.320 -0.002 0.000 0.332 328 K C 0.138 176.532 176.600 -0.344 0.000 1.060 328 K CA 0.756 56.892 56.287 -0.252 0.000 1.052 328 K CB -0.467 31.645 32.500 -0.647 0.000 1.033 328 K HN 0.647 nan 8.250 nan 0.000 0.440 329 D N -3.664 116.584 120.400 -0.253 0.000 2.714 329 D HA 0.322 4.961 4.640 -0.002 0.000 0.278 329 D C 0.996 177.323 176.300 0.044 0.000 1.102 329 D CA -0.526 53.151 54.000 -0.538 0.000 1.108 329 D CB 0.170 40.754 40.800 -0.361 0.000 1.444 329 D HN 0.313 nan 8.370 nan 0.000 0.568 330 G N -0.736 108.099 108.800 0.059 0.000 2.432 330 G HA2 -0.077 3.882 3.960 -0.002 0.000 0.219 330 G HA3 -0.077 3.882 3.960 -0.002 0.000 0.219 330 G C 1.341 176.407 174.900 0.278 0.000 1.135 330 G CA 1.054 46.354 45.100 0.333 0.000 0.767 330 G HN 0.624 nan 8.290 nan 0.000 0.550 331 A N 0.032 122.970 122.820 0.197 0.000 1.873 331 A HA 0.012 4.331 4.320 -0.002 0.000 0.215 331 A C 2.200 179.957 177.584 0.288 0.000 1.186 331 A CA 1.562 53.717 52.037 0.197 0.000 0.616 331 A CB -0.704 18.378 19.000 0.136 0.000 0.823 331 A HN 0.418 nan 8.150 nan 0.000 0.442 332 Y N 0.680 121.102 120.300 0.203 0.000 2.256 332 Y HA -0.177 4.372 4.550 -0.002 0.000 0.288 332 Y C 2.272 178.435 175.900 0.438 0.000 1.155 332 Y CA 1.749 60.022 58.100 0.289 0.000 1.203 332 Y CB -0.209 38.349 38.460 0.162 0.000 0.980 332 Y HN 0.076 nan 8.280 nan 0.000 0.530 333 V N 1.607 121.894 119.914 0.623 0.000 2.283 333 V HA -0.285 3.834 4.120 -0.002 0.000 0.243 333 V C 2.242 178.561 176.094 0.374 0.000 1.039 333 V CA 2.293 64.858 62.300 0.442 0.000 1.016 333 V CB -0.722 31.323 31.823 0.371 0.000 0.650 333 V HN 0.484 nan 8.190 nan 0.000 0.449 334 R N 0.513 121.250 120.500 0.395 0.000 2.346 334 R HA -0.036 4.303 4.340 -0.002 0.000 0.199 334 R C 1.655 178.096 176.300 0.236 0.000 1.015 334 R CA 1.348 57.670 56.100 0.370 0.000 1.058 334 R CB -0.163 30.262 30.300 0.209 0.000 0.921 334 R HN 0.664 nan 8.270 nan 0.000 0.475 335 E N 0.085 120.421 120.200 0.226 0.000 2.182 335 E HA -0.021 4.328 4.350 -0.002 0.000 0.195 335 E C 1.020 177.628 176.600 0.013 0.000 0.933 335 E CA 0.115 56.568 56.400 0.088 0.000 0.940 335 E CB 0.115 29.857 29.700 0.070 0.000 0.945 335 E HN 0.457 nan 8.360 nan 0.000 0.477 336 H N -0.882 118.203 119.070 0.025 0.000 2.436 336 H HA 0.056 4.611 4.556 -0.002 0.000 0.294 336 H C 1.261 176.718 175.328 0.215 0.000 1.048 336 H CA 1.278 57.384 56.048 0.097 0.000 1.353 336 H CB 0.012 29.842 29.762 0.113 0.000 1.414 336 H HN 0.155 nan 8.280 nan 0.000 0.536 337 F N -0.276 119.729 119.950 0.091 0.000 2.152 337 F HA 0.042 4.568 4.527 -0.002 0.000 0.274 337 F C 1.634 177.298 175.800 -0.226 0.000 1.136 337 F CA 0.565 58.405 58.000 -0.266 0.000 1.117 337 F CB -0.758 37.681 39.000 -0.936 0.000 1.060 337 F HN -0.047 nan 8.300 nan 0.000 0.509 338 F N 1.039 120.944 119.950 -0.074 0.000 2.202 338 F HA 0.023 4.549 4.527 -0.002 0.000 0.301 338 F C 2.129 177.840 175.800 -0.149 0.000 1.082 338 F CA 1.155 59.057 58.000 -0.164 0.000 1.313 338 F CB -1.280 37.692 39.000 -0.047 0.000 1.024 338 F HN 0.107 nan 8.300 nan 0.000 0.495 339 G N 0.091 108.931 108.800 0.067 0.000 3.316 339 G HA2 0.148 4.107 3.960 -0.002 0.000 0.255 339 G HA3 0.148 4.107 3.960 -0.002 0.000 0.255 339 G C 0.947 175.756 174.900 -0.152 0.000 0.880 339 G CA -0.129 44.955 45.100 -0.026 0.000 1.956 339 G HN 0.328 nan 8.290 nan 0.000 0.634 340 K N -0.251 119.996 120.400 -0.255 0.000 2.567 340 K HA 0.227 4.546 4.320 -0.002 0.000 0.218 340 K C -0.940 175.174 176.600 -0.810 0.000 1.440 340 K CA -0.096 55.865 56.287 -0.544 0.000 0.995 340 K CB 0.915 33.008 32.500 -0.678 0.000 1.186 340 K HN 0.280 nan 8.250 nan 0.000 0.593 341 Y N -0.697 119.562 120.300 -0.068 0.000 2.479 341 Y HA 0.272 4.821 4.550 -0.002 0.000 0.338 341 Y C -2.302 173.577 175.900 -0.035 0.000 1.055 341 Y CA -2.352 55.716 58.100 -0.053 0.000 1.023 341 Y CB 1.853 40.274 38.460 -0.064 0.000 1.287 341 Y HN -0.144 nan 8.280 nan 0.000 0.447 342 P HA -0.177 nan 4.420 nan 0.000 0.216 342 P C 0.691 178.025 177.300 0.057 0.000 1.150 342 P CA 1.901 65.040 63.100 0.066 0.000 0.843 342 P CB 0.510 32.241 31.700 0.052 0.000 0.787 343 E N -1.290 118.950 120.200 0.068 0.000 2.107 343 E HA -0.123 4.226 4.350 -0.002 0.000 0.191 343 E C 2.046 178.673 176.600 0.046 0.000 0.982 343 E CA 1.841 58.264 56.400 0.039 0.000 0.809 343 E CB -1.118 28.590 29.700 0.012 0.000 0.756 343 E HN 0.407 nan 8.360 nan 0.000 0.459 344 T N -1.400 113.209 114.554 0.091 0.000 2.809 344 T HA 0.085 4.434 4.350 -0.002 0.000 0.260 344 T C 2.140 176.896 174.700 0.093 0.000 1.039 344 T CA 0.767 62.937 62.100 0.115 0.000 1.141 344 T CB -0.361 68.597 68.868 0.150 0.000 0.869 344 T HN 0.123 nan 8.240 nan 0.000 0.437 345 A N 1.738 124.600 122.820 0.071 0.000 2.024 345 A HA 0.324 4.643 4.320 -0.002 0.000 0.220 345 A C 2.682 180.246 177.584 -0.033 0.000 1.164 345 A CA 1.748 53.802 52.037 0.028 0.000 0.643 345 A CB -1.227 17.785 19.000 0.020 0.000 0.806 345 A HN 0.785 nan 8.150 nan 0.000 0.451 346 A N -0.518 122.289 122.820 -0.021 0.000 2.016 346 A HA 0.145 4.464 4.320 -0.002 0.000 0.217 346 A C 2.043 179.583 177.584 -0.073 0.000 1.162 346 A CA 0.995 53.014 52.037 -0.030 0.000 0.662 346 A CB -0.435 18.562 19.000 -0.005 0.000 0.812 346 A HN 0.463 nan 8.150 nan 0.000 0.450 347 L N -0.159 120.991 121.223 -0.121 0.000 2.083 347 L HA -0.126 4.213 4.340 -0.002 0.000 0.209 347 L C 1.745 178.344 176.870 -0.452 0.000 1.083 347 L CA 1.503 56.212 54.840 -0.219 0.000 0.752 347 L CB -0.276 41.654 42.059 -0.215 0.000 0.899 347 L HN 0.423 nan 8.230 nan 0.000 0.433 348 V N -4.448 115.108 119.914 -0.597 0.000 3.039 348 V HA 0.427 4.546 4.120 -0.002 0.000 0.369 348 V C 1.534 177.527 176.094 -0.170 0.000 1.344 348 V CA 0.305 62.171 62.300 -0.725 0.000 1.270 348 V CB -0.243 30.895 31.823 -1.142 0.000 1.284 348 V HN 0.172 nan 8.190 nan 0.000 0.518 349 A N 0.663 123.453 122.820 -0.051 0.000 1.897 349 A HA -0.064 4.255 4.320 -0.002 0.000 0.215 349 A C 1.821 179.458 177.584 0.089 0.000 1.181 349 A CA 1.757 53.806 52.037 0.019 0.000 0.620 349 A CB -0.368 18.639 19.000 0.012 0.000 0.821 349 A HN 0.560 nan 8.150 nan 0.000 0.443 350 D N -1.642 118.854 120.400 0.160 0.000 2.363 350 D HA -0.035 4.604 4.640 -0.002 0.000 0.220 350 D C -0.363 176.020 176.300 0.139 0.000 0.994 350 D CA 0.234 54.312 54.000 0.130 0.000 0.890 350 D CB -0.061 40.802 40.800 0.106 0.000 0.906 350 D HN 0.519 nan 8.370 nan 0.000 0.530 351 W N 2.198 123.438 121.300 -0.100 0.000 2.261 351 W HA 0.181 4.840 4.660 -0.002 0.000 0.323 351 W C 1.099 177.574 176.519 -0.073 0.000 1.243 351 W CA -0.623 56.657 57.345 -0.108 0.000 1.210 351 W CB 0.427 29.776 29.460 -0.185 0.000 1.149 351 W HN -0.285 nan 8.180 nan 0.000 0.562 352 T N -1.411 113.210 114.554 0.111 0.000 2.928 352 T HA 0.167 4.516 4.350 -0.002 0.000 0.284 352 T C 0.809 175.584 174.700 0.125 0.000 1.008 352 T CA -0.740 61.407 62.100 0.080 0.000 1.057 352 T CB 1.434 70.315 68.868 0.021 0.000 1.018 352 T HN 0.440 nan 8.240 nan 0.000 0.493 353 D N 0.781 121.247 120.400 0.109 0.000 2.271 353 D HA -0.127 4.512 4.640 -0.002 0.000 0.207 353 D C 1.744 178.146 176.300 0.169 0.000 0.983 353 D CA 1.085 55.167 54.000 0.137 0.000 0.878 353 D CB 0.246 41.102 40.800 0.092 0.000 0.920 353 D HN 0.650 nan 8.370 nan 0.000 0.479 354 E N 0.852 121.127 120.200 0.125 0.000 2.076 354 E HA -0.114 4.235 4.350 -0.002 0.000 0.190 354 E C 2.128 178.827 176.600 0.166 0.000 0.979 354 E CA 0.553 57.036 56.400 0.137 0.000 0.807 354 E CB -0.453 29.287 29.700 0.067 0.000 0.761 354 E HN 0.486 nan 8.360 nan 0.000 0.454 355 Q N 0.378 120.245 119.800 0.112 0.000 2.172 355 Q HA 0.020 4.359 4.340 -0.002 0.000 0.200 355 Q C 2.385 178.549 176.000 0.273 0.000 0.964 355 Q CA 0.779 56.630 55.803 0.080 0.000 0.855 355 Q CB -0.086 28.572 28.738 -0.133 0.000 0.918 355 Q HN 0.265 nan 8.270 nan 0.000 0.444 356 I N -0.158 120.613 120.570 0.336 0.000 2.252 356 I HA -0.223 3.946 4.170 -0.002 0.000 0.245 356 I C 2.051 178.324 176.117 0.260 0.000 1.102 356 I CA 0.851 62.319 61.300 0.281 0.000 1.385 356 I CB -0.299 37.834 38.000 0.221 0.000 1.064 356 I HN 0.452 nan 8.210 nan 0.000 0.414 357 W N 1.728 123.097 121.300 0.114 0.000 2.825 357 W HA -0.021 4.638 4.660 -0.001 0.000 0.243 357 W C 2.022 178.599 176.519 0.096 0.000 1.293 357 W CA 0.907 58.316 57.345 0.108 0.000 1.403 357 W CB 0.270 29.788 29.460 0.096 0.000 1.134 357 W HN 0.116 nan 8.180 nan 0.000 0.666 358 A N 0.510 123.381 122.820 0.085 0.000 2.072 358 A HA 0.061 4.380 4.320 -0.002 0.000 0.216 358 A C 1.063 178.626 177.584 -0.035 0.000 1.156 358 A CA 0.098 52.138 52.037 0.005 0.000 0.701 358 A CB -0.727 18.301 19.000 0.047 0.000 0.816 358 A HN 0.143 nan 8.150 nan 0.000 0.458 359 L N 1.786 122.968 121.223 -0.069 0.000 2.628 359 L HA -0.013 4.326 4.340 -0.002 0.000 0.274 359 L C 0.289 177.241 176.870 0.136 0.000 1.209 359 L CA -0.062 54.698 54.840 -0.133 0.000 0.930 359 L CB -0.263 41.465 42.059 -0.552 0.000 1.183 359 L HN 0.340 nan 8.230 nan 0.000 0.492 360 N N 3.186 122.072 118.700 0.311 0.000 2.457 360 N HA 0.451 5.190 4.740 -0.002 0.000 0.290 360 N C -0.576 175.212 175.510 0.462 0.000 1.232 360 N CA -0.762 52.471 53.050 0.305 0.000 0.852 360 N CB 1.559 40.159 38.487 0.188 0.000 1.313 360 N HN 0.397 nan 8.380 nan 0.000 0.522 361 R N -0.733 119.911 120.500 0.240 0.000 2.500 361 R HA 0.328 4.667 4.340 -0.002 0.000 0.275 361 R C 1.321 177.628 176.300 0.012 0.000 1.051 361 R CA -0.305 55.815 56.100 0.033 0.000 1.088 361 R CB 0.376 30.469 30.300 -0.344 0.000 1.063 361 R HN 0.721 nan 8.270 nan 0.000 0.511 362 G N 1.096 109.836 108.800 -0.100 0.000 2.450 362 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.220 362 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.220 362 G C 1.254 176.079 174.900 -0.125 0.000 1.130 362 G CA 0.813 45.864 45.100 -0.081 0.000 0.760 362 G HN 0.746 nan 8.290 nan 0.000 0.557 363 G N -1.054 107.597 108.800 -0.248 0.000 2.625 363 G HA2 -0.053 3.906 3.960 -0.002 0.000 0.214 363 G HA3 -0.053 3.906 3.960 -0.002 0.000 0.214 363 G C 1.260 175.877 174.900 -0.473 0.000 1.132 363 G CA 0.445 45.339 45.100 -0.343 0.000 0.782 363 G HN 0.553 nan 8.290 nan 0.000 0.538 364 H N -0.686 118.295 119.070 -0.149 0.000 2.652 364 H HA 0.127 4.682 4.556 -0.002 0.000 0.274 364 H C -0.412 174.873 175.328 -0.071 0.000 1.021 364 H CA -0.230 55.703 56.048 -0.193 0.000 1.187 364 H CB 1.044 30.587 29.762 -0.365 0.000 1.505 364 H HN 0.234 nan 8.280 nan 0.000 0.530 365 D N 1.482 121.904 120.400 0.038 0.000 2.427 365 D HA 0.139 4.778 4.640 -0.002 0.000 0.226 365 D C -1.872 174.437 176.300 0.015 0.000 1.076 365 D CA -2.157 51.868 54.000 0.043 0.000 0.849 365 D CB 2.144 42.988 40.800 0.073 0.000 1.052 365 D HN -0.014 nan 8.370 nan 0.000 0.515 366 P HA -0.175 nan 4.420 nan 0.000 0.217 366 P C 1.072 178.343 177.300 -0.049 0.000 1.151 366 P CA 1.409 64.460 63.100 -0.082 0.000 0.849 366 P CB 0.387 31.883 31.700 -0.340 0.000 0.787 367 K N -0.511 119.814 120.400 -0.124 0.000 2.097 367 K HA -0.107 4.212 4.320 -0.002 0.000 0.205 367 K C 1.872 178.588 176.600 0.193 0.000 1.050 367 K CA 1.081 57.404 56.287 0.059 0.000 0.938 367 K CB -0.255 32.255 32.500 0.017 0.000 0.718 367 K HN 0.109 nan 8.250 nan 0.000 0.442 368 K N 0.984 121.458 120.400 0.124 0.000 2.103 368 K HA -0.004 4.315 4.320 -0.002 0.000 0.204 368 K C 2.123 178.792 176.600 0.113 0.000 1.052 368 K CA 0.943 57.292 56.287 0.104 0.000 0.945 368 K CB -0.229 32.302 32.500 0.053 0.000 0.722 368 K HN 0.187 nan 8.250 nan 0.000 0.443 369 I N -0.004 120.659 120.570 0.154 0.000 2.202 369 I HA -0.289 3.880 4.170 -0.002 0.000 0.242 369 I C 2.429 178.763 176.117 0.362 0.000 1.091 369 I CA 1.123 62.551 61.300 0.212 0.000 1.368 369 I CB -0.353 37.792 38.000 0.242 0.000 1.058 369 I HN 0.022 nan 8.210 nan 0.000 0.410 370 Y N 1.838 122.343 120.300 0.342 0.000 2.165 370 Y HA -0.310 4.240 4.550 -0.001 0.000 0.286 370 Y C 2.537 178.622 175.900 0.308 0.000 1.155 370 Y CA 1.500 59.863 58.100 0.438 0.000 1.164 370 Y CB -0.365 38.397 38.460 0.503 0.000 0.978 370 Y HN 0.123 nan 8.280 nan 0.000 0.513 371 A N 0.544 123.539 122.820 0.293 0.000 1.908 371 A HA -0.192 4.127 4.320 -0.002 0.000 0.218 371 A C 2.423 179.987 177.584 -0.034 0.000 1.181 371 A CA 2.147 54.260 52.037 0.126 0.000 0.627 371 A CB -1.544 17.541 19.000 0.142 0.000 0.818 371 A HN 0.640 nan 8.150 nan 0.000 0.445 372 A N -1.225 121.550 122.820 -0.076 0.000 1.855 372 A HA 0.021 4.340 4.320 -0.002 0.000 0.215 372 A C 1.991 179.352 177.584 -0.371 0.000 1.191 372 A CA 1.472 53.365 52.037 -0.240 0.000 0.613 372 A CB -0.776 18.025 19.000 -0.332 0.000 0.829 372 A HN 0.471 nan 8.150 nan 0.000 0.442 373 F N -0.038 119.694 119.950 -0.363 0.000 2.171 373 F HA -0.121 4.405 4.527 -0.002 0.000 0.300 373 F C 2.316 177.795 175.800 -0.535 0.000 1.090 373 F CA 1.783 59.395 58.000 -0.646 0.000 1.293 373 F CB -0.058 38.129 39.000 -1.355 0.000 1.013 373 F HN 0.130 nan 8.300 nan 0.000 0.486 374 K N 1.141 121.420 120.400 -0.202 0.000 2.026 374 K HA -0.192 4.127 4.320 -0.002 0.000 0.208 374 K C 2.020 178.592 176.600 -0.047 0.000 1.048 374 K CA 1.530 57.785 56.287 -0.054 0.000 0.929 374 K CB -0.332 32.034 32.500 -0.224 0.000 0.713 374 K HN 0.079 nan 8.250 nan 0.000 0.439 375 K N -0.445 119.900 120.400 -0.090 0.000 2.057 375 K HA -0.089 4.230 4.320 -0.002 0.000 0.207 375 K C 1.906 178.446 176.600 -0.099 0.000 1.049 375 K CA 1.272 57.511 56.287 -0.079 0.000 0.931 375 K CB -0.261 32.186 32.500 -0.088 0.000 0.714 375 K HN 0.196 nan 8.250 nan 0.000 0.440 376 A N 1.139 123.869 122.820 -0.151 0.000 1.902 376 A HA -0.252 4.067 4.320 -0.002 0.000 0.217 376 A C 2.086 179.609 177.584 -0.102 0.000 1.181 376 A CA 1.751 53.692 52.037 -0.161 0.000 0.623 376 A CB -0.693 18.166 19.000 -0.234 0.000 0.818 376 A HN 0.568 nan 8.150 nan 0.000 0.443 377 Q N -0.444 119.332 119.800 -0.040 0.000 2.170 377 Q HA -0.216 4.123 4.340 -0.002 0.000 0.203 377 Q C 1.672 177.673 176.000 0.003 0.000 0.976 377 Q CA 1.831 57.651 55.803 0.029 0.000 0.858 377 Q CB -0.086 28.753 28.738 0.168 0.000 0.907 377 Q HN 0.822 nan 8.270 nan 0.000 0.433 378 E N -0.474 119.718 120.200 -0.013 0.000 2.318 378 E HA 0.023 4.372 4.350 -0.002 0.000 0.193 378 E C 0.100 176.675 176.600 -0.043 0.000 0.998 378 E CA 0.310 56.699 56.400 -0.018 0.000 0.859 378 E CB 0.312 30.006 29.700 -0.010 0.000 0.812 378 E HN 0.136 nan 8.360 nan 0.000 0.492 379 T N 2.293 116.807 114.554 -0.067 0.000 2.928 379 T HA 0.103 4.452 4.350 -0.002 0.000 0.305 379 T C 0.113 174.755 174.700 -0.097 0.000 1.035 379 T CA 0.240 62.289 62.100 -0.085 0.000 1.145 379 T CB 0.574 69.377 68.868 -0.109 0.000 0.963 379 T HN -0.129 nan 8.240 nan 0.000 0.545 380 K N 0.947 121.292 120.400 -0.092 0.000 2.443 380 K HA 0.615 4.934 4.320 -0.002 0.000 0.251 380 K C 1.053 177.589 176.600 -0.107 0.000 0.972 380 K CA -0.389 55.841 56.287 -0.096 0.000 0.833 380 K CB 1.803 34.262 32.500 -0.069 0.000 1.317 380 K HN 0.745 nan 8.250 nan 0.000 0.441 381 G N 1.217 109.947 108.800 -0.117 0.000 2.268 381 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.240 381 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.240 381 G C -0.166 174.634 174.900 -0.167 0.000 1.010 381 G CA 0.959 45.987 45.100 -0.120 0.000 0.618 381 G HN 0.613 nan 8.290 nan 0.000 0.516 382 K N -0.896 119.375 120.400 -0.216 0.000 2.555 382 K HA 0.836 5.155 4.320 -0.002 0.000 0.279 382 K C -0.206 176.130 176.600 -0.439 0.000 0.986 382 K CA -0.479 55.617 56.287 -0.319 0.000 0.880 382 K CB 1.283 33.632 32.500 -0.253 0.000 1.474 382 K HN 1.143 nan 8.250 nan 0.000 0.433 383 A N 0.853 123.217 122.820 -0.760 0.000 2.304 383 A HA 0.575 4.894 4.320 -0.002 0.000 0.271 383 A C -0.544 176.641 177.584 -0.665 0.000 1.091 383 A CA -0.282 51.169 52.037 -0.978 0.000 0.812 383 A CB 0.621 18.463 19.000 -1.929 0.000 1.056 383 A HN 0.610 nan 8.150 nan 0.000 0.489 384 T N 0.341 114.662 114.554 -0.389 0.000 2.863 384 T HA 0.524 4.873 4.350 -0.002 0.000 0.285 384 T C -0.998 173.777 174.700 0.126 0.000 1.009 384 T CA -0.352 61.700 62.100 -0.079 0.000 0.989 384 T CB 1.441 70.212 68.868 -0.162 0.000 1.004 384 T HN 0.945 nan 8.240 nan 0.000 0.455 385 V N 4.617 124.588 119.914 0.095 0.000 2.531 385 V HA 0.645 4.764 4.120 -0.002 0.000 0.301 385 V C -1.210 174.719 176.094 -0.275 0.000 1.034 385 V CA -0.898 61.318 62.300 -0.140 0.000 0.865 385 V CB 1.064 32.498 31.823 -0.650 0.000 0.995 385 V HN 0.846 nan 8.190 nan 0.000 0.424 386 I N 7.426 127.800 120.570 -0.327 0.000 2.339 386 I HA 0.399 4.568 4.170 -0.002 0.000 0.290 386 I C -0.465 175.446 176.117 -0.343 0.000 0.994 386 I CA -0.443 60.633 61.300 -0.372 0.000 1.191 386 I CB 1.602 39.286 38.000 -0.527 0.000 1.343 386 I HN 0.408 nan 8.210 nan 0.000 0.458 387 L N 6.902 127.935 121.223 -0.317 0.000 2.270 387 L HA 0.539 4.878 4.340 -0.002 0.000 0.286 387 L C 0.365 177.072 176.870 -0.271 0.000 1.059 387 L CA -0.437 54.230 54.840 -0.288 0.000 0.839 387 L CB 0.872 42.759 42.059 -0.287 0.000 1.221 387 L HN 0.635 nan 8.230 nan 0.000 0.431 388 A N 2.936 125.620 122.820 -0.226 0.000 2.252 388 A HA 0.243 4.562 4.320 -0.002 0.000 0.309 388 A C -0.383 177.106 177.584 -0.158 0.000 1.285 388 A CA -0.371 51.546 52.037 -0.201 0.000 0.900 388 A CB -0.066 18.834 19.000 -0.167 0.000 1.157 388 A HN 0.781 nan 8.150 nan 0.000 0.536 389 H N 2.993 121.856 119.070 -0.345 0.000 2.864 389 H HA 0.374 4.929 4.556 -0.002 0.000 0.281 389 H C 0.401 175.542 175.328 -0.312 0.000 1.093 389 H CA 0.616 56.447 56.048 -0.361 0.000 1.453 389 H CB 0.514 29.933 29.762 -0.570 0.000 1.462 389 H HN 0.808 nan 8.280 nan 0.000 0.480 390 T N 2.186 116.613 114.554 -0.212 0.000 2.831 390 T HA 0.474 4.823 4.350 -0.002 0.000 0.287 390 T C -0.212 174.491 174.700 0.004 0.000 1.070 390 T CA -0.993 60.942 62.100 -0.275 0.000 1.010 390 T CB 1.628 70.287 68.868 -0.348 0.000 1.264 390 T HN 0.395 nan 8.240 nan 0.000 0.532 391 I N 1.130 121.923 120.570 0.372 0.000 2.362 391 I HA 0.396 4.565 4.170 -0.002 0.000 0.289 391 I C 0.147 176.427 176.117 0.272 0.000 0.994 391 I CA -0.960 60.498 61.300 0.265 0.000 1.158 391 I CB 1.769 39.916 38.000 0.245 0.000 1.315 391 I HN 0.657 nan 8.210 nan 0.000 0.451 392 K N 4.783 125.303 120.400 0.199 0.000 2.350 392 K HA 0.322 4.641 4.320 -0.002 0.000 0.279 392 K C 0.956 177.682 176.600 0.210 0.000 1.027 392 K CA 0.643 57.048 56.287 0.197 0.000 0.969 392 K CB 0.651 33.244 32.500 0.155 0.000 0.954 392 K HN 0.868 nan 8.250 nan 0.000 0.474 393 G N 3.114 112.050 108.800 0.227 0.000 2.176 393 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.252 393 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.252 393 G C -0.336 174.709 174.900 0.241 0.000 1.024 393 G CA 0.366 45.592 45.100 0.210 0.000 0.755 393 G HN 0.736 nan 8.290 nan 0.000 0.507 394 Y N 0.541 120.933 120.300 0.152 0.000 2.810 394 Y HA 0.282 4.831 4.550 -0.001 0.000 0.332 394 Y C 1.584 177.624 175.900 0.232 0.000 1.243 394 Y CA 1.184 59.355 58.100 0.119 0.000 1.537 394 Y CB 0.342 38.847 38.460 0.075 0.000 1.265 394 Y HN 1.469 nan 8.280 nan 0.000 0.572 395 G N 5.401 113.965 108.800 -0.392 0.000 2.187 395 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.261 395 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.261 395 G C 0.594 175.594 174.900 0.168 0.000 1.000 395 G CA 0.742 45.674 45.100 -0.279 0.000 0.718 395 G HN 0.697 nan 8.290 nan 0.000 0.519 396 M N -0.609 119.082 119.600 0.152 0.000 2.367 396 M HA 0.294 4.773 4.480 -0.002 0.000 0.256 396 M C 2.377 178.622 176.300 -0.091 0.000 1.091 396 M CA 0.815 56.197 55.300 0.137 0.000 1.049 396 M CB 0.267 32.950 32.600 0.139 0.000 1.406 396 M HN 0.765 nan 8.290 nan 0.000 0.498 397 G N 2.136 110.876 108.800 -0.100 0.000 3.282 397 G HA2 -0.430 3.529 3.960 -0.002 0.000 0.367 397 G HA3 -0.430 3.529 3.960 -0.002 0.000 0.367 397 G C 0.651 175.461 174.900 -0.150 0.000 1.377 397 G CA 1.364 46.347 45.100 -0.195 0.000 1.254 397 G HN 0.414 nan 8.290 nan 0.000 0.717 398 D N 1.178 121.438 120.400 -0.234 0.000 2.327 398 D HA -0.157 4.482 4.640 -0.002 0.000 0.205 398 D C 2.847 179.120 176.300 -0.044 0.000 1.036 398 D CA 2.592 56.523 54.000 -0.116 0.000 0.897 398 D CB -1.101 39.633 40.800 -0.111 0.000 1.117 398 D HN 0.803 nan 8.370 nan 0.000 0.471 399 A N 1.445 124.252 122.820 -0.022 0.000 1.852 399 A HA 0.071 4.390 4.320 -0.002 0.000 0.217 399 A C 1.306 178.911 177.584 0.035 0.000 1.215 399 A CA 2.865 54.913 52.037 0.017 0.000 0.641 399 A CB -0.599 18.424 19.000 0.039 0.000 0.838 399 A HN 0.525 nan 8.150 nan 0.000 0.450 415 D N 1.041 121.473 120.400 0.054 0.000 2.123 415 D HA -0.049 4.590 4.640 -0.002 0.000 0.196 415 D C 1.847 178.205 176.300 0.096 0.000 0.992 415 D CA 2.045 56.085 54.000 0.066 0.000 0.833 415 D CB 0.124 40.951 40.800 0.044 0.000 0.954 415 D HN 0.546 nan 8.370 nan 0.000 0.455 416 G N 0.768 109.613 108.800 0.075 0.000 2.408 416 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.217 416 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.217 416 G C 1.890 176.882 174.900 0.153 0.000 1.150 416 G CA 0.387 45.540 45.100 0.088 0.000 0.776 416 G HN 0.211 nan 8.290 nan 0.000 0.542 417 V N 0.622 120.613 119.914 0.128 0.000 2.427 417 V HA -0.123 3.996 4.120 -0.002 0.000 0.248 417 V C 2.892 179.148 176.094 0.269 0.000 1.051 417 V CA 1.660 64.063 62.300 0.172 0.000 1.048 417 V CB -0.412 31.480 31.823 0.115 0.000 0.666 417 V HN 0.306 nan 8.190 nan 0.000 0.456 418 R N -0.834 119.785 120.500 0.198 0.000 2.092 418 R HA -0.147 4.192 4.340 -0.002 0.000 0.231 418 R C 2.394 178.784 176.300 0.151 0.000 1.119 418 R CA 1.430 57.627 56.100 0.162 0.000 0.970 418 R CB -0.632 29.731 30.300 0.106 0.000 0.864 418 R HN 0.644 nan 8.270 nan 0.000 0.440 419 H N 1.867 120.988 119.070 0.085 0.000 2.290 419 H HA -0.160 4.395 4.556 -0.002 0.000 0.298 419 H C 2.071 177.440 175.328 0.070 0.000 1.087 419 H CA 2.158 58.238 56.048 0.054 0.000 1.291 419 H CB -0.065 29.720 29.762 0.039 0.000 1.369 419 H HN 0.249 nan 8.280 nan 0.000 0.492 420 I N 0.159 120.888 120.570 0.264 0.000 2.394 420 I HA -0.106 4.063 4.170 -0.002 0.000 0.251 420 I C 2.764 179.055 176.117 0.291 0.000 1.136 420 I CA 1.289 62.768 61.300 0.298 0.000 1.425 420 I CB -0.565 37.727 38.000 0.486 0.000 1.079 420 I HN 0.043 nan 8.210 nan 0.000 0.425 421 R N 0.684 121.361 120.500 0.295 0.000 2.096 421 R HA -0.175 4.164 4.340 -0.002 0.000 0.235 421 R C 1.632 177.932 176.300 0.000 0.000 1.127 421 R CA 2.089 58.269 56.100 0.134 0.000 0.968 421 R CB -0.375 29.935 30.300 0.017 0.000 0.861 421 R HN 0.476 nan 8.270 nan 0.000 0.440 422 D N -0.214 120.154 120.400 -0.055 0.000 2.162 422 D HA -0.129 4.510 4.640 -0.002 0.000 0.203 422 D C 1.939 178.119 176.300 -0.200 0.000 0.967 422 D CA 0.801 54.730 54.000 -0.118 0.000 0.840 422 D CB -0.222 40.501 40.800 -0.127 0.000 0.972 422 D HN 0.098 nan 8.370 nan 0.000 0.482 423 R N 0.289 120.576 120.500 -0.354 0.000 2.096 423 R HA -0.082 4.257 4.340 -0.002 0.000 0.235 423 R C 1.128 177.069 176.300 -0.597 0.000 1.127 423 R CA 1.152 56.902 56.100 -0.582 0.000 0.968 423 R CB -0.534 29.239 30.300 -0.878 0.000 0.861 423 R HN 0.105 nan 8.270 nan 0.000 0.440 424 F N 0.287 120.208 119.950 -0.049 0.000 2.647 424 F HA 0.319 4.845 4.527 -0.002 0.000 0.300 424 F C -0.205 175.591 175.800 -0.007 0.000 1.106 424 F CA -0.635 57.367 58.000 0.003 0.000 1.313 424 F CB -0.417 38.625 39.000 0.070 0.000 1.007 424 F HN -0.004 nan 8.300 nan 0.000 0.536 425 N N 0.014 118.749 118.700 0.059 0.000 2.699 425 N HA -0.177 4.562 4.740 -0.002 0.000 0.256 425 N C -0.780 174.732 175.510 0.004 0.000 0.993 425 N CA 0.225 53.282 53.050 0.013 0.000 0.759 425 N CB -1.398 37.100 38.487 0.019 0.000 0.906 425 N HN 0.002 nan 8.380 nan 0.000 0.541 426 V N 1.139 121.022 119.914 -0.051 0.000 2.555 426 V HA 0.212 4.331 4.120 -0.002 0.000 0.286 426 V C -1.210 174.719 176.094 -0.275 0.000 1.044 426 V CA -1.092 61.092 62.300 -0.193 0.000 1.026 426 V CB 1.104 32.667 31.823 -0.433 0.000 0.981 426 V HN 0.211 nan 8.190 nan 0.000 0.480 427 P HA 0.169 nan 4.420 nan 0.000 0.235 427 P C -0.758 176.395 177.300 -0.245 0.000 1.765 427 P CA 0.220 63.220 63.100 -0.168 0.000 1.034 427 P CB 0.119 31.784 31.700 -0.058 0.000 1.984 428 V N 1.506 121.231 119.914 -0.315 0.000 2.623 428 V HA 0.230 4.349 4.120 -0.002 0.000 0.304 428 V C 0.661 176.655 176.094 -0.166 0.000 1.054 428 V CA -0.643 61.487 62.300 -0.283 0.000 0.882 428 V CB 2.069 33.587 31.823 -0.509 0.000 1.002 428 V HN 0.399 nan 8.190 nan 0.000 0.424 429 S N 2.040 117.687 115.700 -0.087 0.000 2.614 429 S HA 0.237 4.706 4.470 -0.002 0.000 0.265 429 S C 0.668 175.252 174.600 -0.027 0.000 1.303 429 S CA -0.467 57.703 58.200 -0.050 0.000 1.000 429 S CB 1.067 64.250 63.200 -0.030 0.000 0.935 429 S HN 0.671 nan 8.310 nan 0.000 0.551 430 D N 1.370 121.761 120.400 -0.015 0.000 2.178 430 D HA -0.051 4.588 4.640 -0.002 0.000 0.201 430 D C 2.107 178.413 176.300 0.011 0.000 0.980 430 D CA 1.612 55.614 54.000 0.004 0.000 0.842 430 D CB -0.718 40.084 40.800 0.003 0.000 0.948 430 D HN 0.723 nan 8.370 nan 0.000 0.472 431 A N 0.815 123.637 122.820 0.004 0.000 1.969 431 A HA -0.150 4.169 4.320 -0.002 0.000 0.218 431 A C 1.648 179.239 177.584 0.013 0.000 1.169 431 A CA 1.397 53.438 52.037 0.007 0.000 0.635 431 A CB -0.015 18.987 19.000 0.003 0.000 0.810 431 A HN 0.048 nan 8.150 nan 0.000 0.445 432 D N -1.090 119.319 120.400 0.015 0.000 2.392 432 D HA 0.083 4.722 4.640 -0.002 0.000 0.206 432 D C 1.665 177.999 176.300 0.056 0.000 1.046 432 D CA 0.029 54.045 54.000 0.027 0.000 0.865 432 D CB -0.047 40.766 40.800 0.022 0.000 0.969 432 D HN 0.472 nan 8.370 nan 0.000 0.509 433 I N 1.403 122.014 120.570 0.068 0.000 2.248 433 I HA -0.318 3.851 4.170 -0.002 0.000 0.248 433 I C 2.190 178.372 176.117 0.108 0.000 1.107 433 I CA 1.404 62.785 61.300 0.136 0.000 1.373 433 I CB 0.298 38.376 38.000 0.130 0.000 1.055 433 I HN -0.171 nan 8.210 nan 0.000 0.418 434 E N 1.166 121.400 120.200 0.058 0.000 2.204 434 E HA -0.237 4.112 4.350 -0.002 0.000 0.195 434 E C 1.754 178.360 176.600 0.010 0.000 0.990 434 E CA 1.351 57.770 56.400 0.030 0.000 0.821 434 E CB -0.015 29.696 29.700 0.018 0.000 0.750 434 E HN 0.394 nan 8.360 nan 0.000 0.477 435 K N 0.064 120.471 120.400 0.012 0.000 2.458 435 K HA 0.120 4.439 4.320 -0.002 0.000 0.194 435 K C -0.005 176.561 176.600 -0.057 0.000 1.024 435 K CA 0.104 56.380 56.287 -0.018 0.000 1.108 435 K CB 0.001 32.496 32.500 -0.009 0.000 0.846 435 K HN 0.144 nan 8.250 nan 0.000 0.518 436 L N 1.380 122.581 121.223 -0.036 0.000 3.833 436 L HA -0.185 4.154 4.340 -0.002 0.000 0.447 436 L C -2.051 174.690 176.870 -0.215 0.000 1.213 436 L CA -0.510 54.253 54.840 -0.128 0.000 0.801 436 L CB -1.547 40.372 42.059 -0.235 0.000 1.676 436 L HN 0.127 nan 8.230 nan 0.000 0.883 437 P HA 0.059 nan 4.420 nan 0.000 0.272 437 P C -0.528 176.792 177.300 0.032 0.000 1.223 437 P CA 0.034 63.113 63.100 -0.035 0.000 0.784 437 P CB 0.569 32.318 31.700 0.081 0.000 0.923 438 Y N 0.646 121.015 120.300 0.116 0.000 2.310 438 Y HA 0.339 4.888 4.550 -0.002 0.000 0.326 438 Y C 1.110 177.140 175.900 0.216 0.000 1.151 438 Y CA -0.346 57.830 58.100 0.126 0.000 1.195 438 Y CB 0.511 38.911 38.460 -0.101 0.000 1.210 438 Y HN 0.157 nan 8.280 nan 0.000 0.483 439 I N 2.599 123.413 120.570 0.408 0.000 2.440 439 I HA 0.402 4.571 4.170 -0.002 0.000 0.294 439 I C 0.049 176.181 176.117 0.025 0.000 0.995 439 I CA -0.405 60.965 61.300 0.118 0.000 1.306 439 I CB 1.403 39.372 38.000 -0.052 0.000 1.407 439 I HN 0.676 nan 8.210 nan 0.000 0.501 440 T N 1.647 116.114 114.554 -0.145 0.000 2.906 440 T HA 0.602 4.951 4.350 -0.002 0.000 0.295 440 T C -0.870 173.650 174.700 -0.300 0.000 1.075 440 T CA -0.666 61.292 62.100 -0.237 0.000 1.005 440 T CB 1.556 70.371 68.868 -0.089 0.000 1.136 440 T HN 0.119 nan 8.240 nan 0.000 0.498 441 F N 2.974 122.957 119.950 0.057 0.000 2.375 441 F HA 0.477 5.003 4.527 -0.002 0.000 0.361 441 F C -1.909 173.947 175.800 0.092 0.000 1.117 441 F CA -2.561 55.497 58.000 0.095 0.000 1.037 441 F CB 1.243 40.329 39.000 0.143 0.000 1.192 441 F HN 0.398 nan 8.300 nan 0.000 0.452 442 P HA -0.027 nan 4.420 nan 0.000 0.269 442 P C -0.171 177.025 177.300 -0.174 0.000 1.215 442 P CA -0.233 62.874 63.100 0.012 0.000 0.780 442 P CB 0.955 32.663 31.700 0.015 0.000 0.898 443 E N 0.255 120.216 120.200 -0.399 0.000 2.413 443 E HA 0.198 4.547 4.350 -0.002 0.000 0.263 443 E C 1.167 177.589 176.600 -0.296 0.000 1.015 443 E CA 0.858 56.825 56.400 -0.721 0.000 0.916 443 E CB -0.373 29.052 29.700 -0.458 0.000 0.947 443 E HN 0.773 nan 8.360 nan 0.000 0.440 444 G N 2.869 111.553 108.800 -0.194 0.000 2.284 444 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.230 444 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.230 444 G C 0.247 175.154 174.900 0.011 0.000 1.021 444 G CA 0.270 45.343 45.100 -0.045 0.000 0.619 444 G HN 0.911 nan 8.290 nan 0.000 0.510 445 S N 0.464 116.178 115.700 0.025 0.000 2.572 445 S HA 0.462 4.931 4.470 -0.002 0.000 0.279 445 S C 1.145 175.778 174.600 0.054 0.000 1.341 445 S CA 0.857 59.090 58.200 0.056 0.000 1.043 445 S CB 1.998 65.261 63.200 0.106 0.000 0.887 445 S HN 0.613 nan 8.310 nan 0.000 0.516 446 E N 1.478 121.681 120.200 0.005 0.000 2.070 446 E HA -0.260 4.089 4.350 -0.002 0.000 0.197 446 E C 1.495 178.058 176.600 -0.062 0.000 1.004 446 E CA 1.910 58.303 56.400 -0.012 0.000 0.805 446 E CB -0.206 29.471 29.700 -0.039 0.000 0.744 446 E HN 0.863 nan 8.360 nan 0.000 0.451 447 E N -0.257 119.795 120.200 -0.248 0.000 2.051 447 E HA -0.210 4.139 4.350 -0.002 0.000 0.192 447 E C 2.024 178.455 176.600 -0.281 0.000 0.991 447 E CA 1.380 57.461 56.400 -0.532 0.000 0.799 447 E CB -0.380 28.374 29.700 -1.576 0.000 0.748 447 E HN 0.369 nan 8.360 nan 0.000 0.449 448 H N 0.393 119.363 119.070 -0.168 0.000 2.352 448 H HA -0.085 4.470 4.556 -0.002 0.000 0.299 448 H C 1.621 177.047 175.328 0.165 0.000 1.097 448 H CA 1.963 58.073 56.048 0.103 0.000 1.311 448 H CB 0.023 29.894 29.762 0.181 0.000 1.377 448 H HN 0.135 nan 8.280 nan 0.000 0.504 449 T N 0.308 115.023 114.554 0.269 0.000 2.708 449 T HA -0.188 4.161 4.350 -0.002 0.000 0.266 449 T C 1.798 176.574 174.700 0.126 0.000 1.037 449 T CA 1.556 63.782 62.100 0.211 0.000 1.146 449 T CB -0.735 68.229 68.868 0.161 0.000 0.865 449 T HN 0.411 nan 8.240 nan 0.000 0.435 450 Y N 1.494 121.781 120.300 -0.023 0.000 2.163 450 Y HA -0.078 4.471 4.550 -0.002 0.000 0.288 450 Y C 2.189 178.043 175.900 -0.076 0.000 1.136 450 Y CA 0.898 58.968 58.100 -0.050 0.000 1.147 450 Y CB -0.516 37.900 38.460 -0.072 0.000 0.987 450 Y HN 0.082 nan 8.280 nan 0.000 0.509 451 L N -0.106 121.164 121.223 0.078 0.000 1.971 451 L HA -0.311 4.028 4.340 -0.002 0.000 0.215 451 L C 2.379 179.143 176.870 -0.177 0.000 1.072 451 L CA 2.266 57.065 54.840 -0.068 0.000 0.758 451 L CB -1.193 40.761 42.059 -0.174 0.000 0.889 451 L HN 0.318 nan 8.230 nan 0.000 0.433 452 H N -0.673 118.354 119.070 -0.071 0.000 2.389 452 H HA 0.039 4.594 4.556 -0.002 0.000 0.299 452 H C 2.117 177.398 175.328 -0.080 0.000 1.081 452 H CA 1.273 57.309 56.048 -0.021 0.000 1.345 452 H CB -0.253 29.477 29.762 -0.054 0.000 1.393 452 H HN 0.553 nan 8.280 nan 0.000 0.520 453 A N 1.205 124.013 122.820 -0.019 0.000 1.902 453 A HA -0.166 4.153 4.320 -0.002 0.000 0.217 453 A C 2.372 179.834 177.584 -0.204 0.000 1.181 453 A CA 1.157 53.131 52.037 -0.105 0.000 0.623 453 A CB -0.202 18.716 19.000 -0.138 0.000 0.818 453 A HN 0.252 nan 8.150 nan 0.000 0.443 454 Q N -0.380 119.228 119.800 -0.320 0.000 2.096 454 Q HA -0.139 4.200 4.340 -0.002 0.000 0.204 454 Q C 2.187 178.050 176.000 -0.228 0.000 0.982 454 Q CA 1.275 56.874 55.803 -0.341 0.000 0.850 454 Q CB -0.418 28.072 28.738 -0.413 0.000 0.901 454 Q HN 0.485 nan 8.270 nan 0.000 0.422 455 R N 0.406 120.788 120.500 -0.198 0.000 2.115 455 R HA -0.027 4.312 4.340 -0.002 0.000 0.226 455 R C 2.078 178.215 176.300 -0.272 0.000 1.100 455 R CA 0.720 56.674 56.100 -0.244 0.000 0.980 455 R CB -0.339 29.735 30.300 -0.377 0.000 0.875 455 R HN 0.331 nan 8.270 nan 0.000 0.445 456 Q N 0.923 120.604 119.800 -0.199 0.000 2.124 456 Q HA -0.079 4.260 4.340 -0.002 0.000 0.202 456 Q C 1.748 177.701 176.000 -0.079 0.000 0.977 456 Q CA 1.288 57.019 55.803 -0.120 0.000 0.850 456 Q CB -0.100 28.609 28.738 -0.048 0.000 0.901 456 Q HN 0.346 nan 8.270 nan 0.000 0.429 457 K N 0.096 120.428 120.400 -0.114 0.000 2.442 457 K HA 0.009 4.328 4.320 -0.002 0.000 0.198 457 K C 1.179 177.657 176.600 -0.203 0.000 1.042 457 K CA 0.407 56.624 56.287 -0.116 0.000 0.958 457 K CB 0.186 32.607 32.500 -0.132 0.000 0.766 457 K HN 0.147 nan 8.250 nan 0.000 0.474 458 L N 0.612 121.705 121.223 -0.216 0.000 3.017 458 L HA 0.156 4.495 4.340 -0.002 0.000 0.255 458 L C -0.499 176.236 176.870 -0.226 0.000 1.247 458 L CA -0.217 54.444 54.840 -0.298 0.000 1.038 458 L CB -0.158 41.804 42.059 -0.162 0.000 1.380 458 L HN 0.286 nan 8.230 nan 0.000 0.548 459 H N -1.339 117.690 119.070 -0.067 0.000 3.415 459 H HA -0.152 4.403 4.556 -0.002 0.000 0.213 459 H C 0.830 176.104 175.328 -0.090 0.000 1.091 459 H CA 0.725 56.740 56.048 -0.056 0.000 1.182 459 H CB -1.513 28.241 29.762 -0.014 0.000 1.160 459 H HN 0.602 nan 8.280 nan 0.000 0.319 460 G N -1.557 107.176 108.800 -0.111 0.000 2.265 460 G HA2 0.131 4.090 3.960 -0.002 0.000 0.246 460 G HA3 0.131 4.090 3.960 -0.002 0.000 0.246 460 G C -1.469 173.133 174.900 -0.496 0.000 1.299 460 G CA -0.481 44.434 45.100 -0.308 0.000 1.117 460 G HN 0.178 nan 8.290 nan 0.000 0.485 461 Y N 0.078 120.433 120.300 0.093 0.000 2.446 461 Y HA 0.775 5.324 4.550 -0.002 0.000 0.338 461 Y C 0.472 176.415 175.900 0.071 0.000 1.055 461 Y CA -0.832 57.323 58.100 0.093 0.000 1.101 461 Y CB 1.912 40.405 38.460 0.056 0.000 1.221 461 Y HN 0.850 nan 8.280 nan 0.000 0.460 462 L N 1.508 122.889 121.223 0.264 0.000 2.424 462 L HA 0.862 5.201 4.340 -0.002 0.000 0.258 462 L C -3.166 173.784 176.870 0.134 0.000 0.995 462 L CA -2.485 52.442 54.840 0.144 0.000 0.821 462 L CB 1.528 43.681 42.059 0.157 0.000 1.383 462 L HN 0.267 nan 8.230 nan 0.000 0.410 463 P HA 0.431 nan 4.420 nan 0.000 0.276 463 P C -0.930 176.059 177.300 -0.520 0.000 1.244 463 P CA -0.208 62.713 63.100 -0.298 0.000 0.801 463 P CB 1.812 33.316 31.700 -0.327 0.000 1.006 464 S N 0.210 115.740 115.700 -0.283 0.000 2.570 464 S HA 0.642 5.112 4.470 -0.002 0.000 0.270 464 S C -1.406 173.116 174.600 -0.129 0.000 1.149 464 S CA -0.791 57.291 58.200 -0.196 0.000 0.837 464 S CB 1.578 64.743 63.200 -0.057 0.000 1.124 464 S HN 0.659 nan 8.310 nan 0.000 0.465 465 R N 1.807 122.263 120.500 -0.074 0.000 2.584 465 R HA 0.398 4.737 4.340 -0.002 0.000 0.276 465 R C -1.676 174.615 176.300 -0.015 0.000 1.046 465 R CA -0.462 55.601 56.100 -0.061 0.000 0.906 465 R CB 1.577 31.835 30.300 -0.070 0.000 1.215 465 R HN 0.715 nan 8.270 nan 0.000 0.449 466 Q N 4.990 124.782 119.800 -0.013 0.000 2.340 466 Q HA 0.255 4.594 4.340 -0.002 0.000 0.259 466 Q C -1.698 174.325 176.000 0.040 0.000 0.964 466 Q CA -1.981 53.836 55.803 0.023 0.000 0.900 466 Q CB 2.288 31.049 28.738 0.039 0.000 1.228 466 Q HN 0.467 nan 8.270 nan 0.000 0.449 467 P HA -0.124 nan 4.420 nan 0.000 0.221 467 P C -0.329 177.094 177.300 0.206 0.000 1.150 467 P CA 1.029 64.196 63.100 0.112 0.000 0.800 467 P CB 0.616 32.359 31.700 0.073 0.000 0.787 468 N N -0.087 118.698 118.700 0.143 0.000 2.240 468 N HA 0.281 5.020 4.740 -0.002 0.000 0.302 468 N C -0.353 175.253 175.510 0.160 0.000 1.106 468 N CA -0.632 52.479 53.050 0.102 0.000 0.778 468 N CB 1.528 39.954 38.487 -0.102 0.000 1.431 468 N HN -0.049 nan 8.380 nan 0.000 0.479 469 F N -1.046 119.031 119.950 0.212 0.000 2.382 469 F HA 0.424 4.950 4.527 -0.001 0.000 0.331 469 F C 1.828 177.694 175.800 0.110 0.000 1.121 469 F CA -0.680 57.431 58.000 0.185 0.000 1.183 469 F CB 0.221 39.369 39.000 0.246 0.000 1.207 469 F HN 0.493 nan 8.300 nan 0.000 0.555 470 T N -1.764 112.940 114.554 0.250 0.000 2.939 470 T HA 0.015 4.364 4.350 -0.002 0.000 0.254 470 T C 0.578 175.379 174.700 0.168 0.000 1.041 470 T CA 0.451 62.624 62.100 0.121 0.000 1.142 470 T CB -0.695 68.236 68.868 0.106 0.000 0.874 470 T HN 0.830 nan 8.240 nan 0.000 0.452 471 E N 1.588 121.970 120.200 0.304 0.000 2.422 471 E HA 0.097 4.446 4.350 -0.002 0.000 0.260 471 E C -0.355 176.438 176.600 0.322 0.000 1.108 471 E CA -0.483 56.073 56.400 0.260 0.000 0.943 471 E CB 0.508 30.341 29.700 0.222 0.000 0.961 471 E HN 0.363 nan 8.360 nan 0.000 0.443 472 K N 2.953 123.480 120.400 0.212 0.000 2.307 472 K HA 0.294 4.613 4.320 -0.002 0.000 0.263 472 K C -0.835 175.879 176.600 0.189 0.000 0.973 472 K CA -0.622 55.787 56.287 0.203 0.000 0.846 472 K CB 0.835 33.401 32.500 0.110 0.000 1.100 472 K HN 0.518 nan 8.250 nan 0.000 0.438 473 L N 3.010 124.371 121.223 0.230 0.000 2.357 473 L HA 0.286 4.625 4.340 -0.002 0.000 0.273 473 L C 0.267 177.209 176.870 0.119 0.000 1.080 473 L CA -0.671 54.260 54.840 0.152 0.000 0.803 473 L CB 1.140 43.289 42.059 0.150 0.000 1.174 473 L HN 0.513 nan 8.230 nan 0.000 0.443 474 E N 4.011 124.262 120.200 0.085 0.000 2.136 474 E HA 0.310 4.659 4.350 -0.002 0.000 0.246 474 E C -0.487 176.158 176.600 0.075 0.000 1.017 474 E CA -0.267 56.177 56.400 0.073 0.000 0.883 474 E CB 0.575 30.306 29.700 0.052 0.000 1.199 474 E HN 0.417 nan 8.360 nan 0.000 0.447 475 L N 3.831 125.113 121.223 0.098 0.000 2.456 475 L HA 0.152 4.492 4.340 -0.002 0.000 0.272 475 L C -1.523 175.426 176.870 0.131 0.000 1.189 475 L CA -1.437 53.473 54.840 0.116 0.000 0.846 475 L CB -0.191 41.943 42.059 0.124 0.000 1.111 475 L HN 0.099 nan 8.230 nan 0.000 0.475 476 P HA 0.049 nan 4.420 nan 0.000 0.269 476 P C -0.518 176.952 177.300 0.284 0.000 1.209 476 P CA -0.373 62.791 63.100 0.107 0.000 0.776 476 P CB 0.970 32.649 31.700 -0.036 0.000 0.876 477 S N 1.817 117.631 115.700 0.189 0.000 2.681 477 S HA 0.124 4.593 4.470 -0.002 0.000 0.270 477 S C 1.220 175.909 174.600 0.149 0.000 1.209 477 S CA -0.683 57.654 58.200 0.228 0.000 0.988 477 S CB 0.315 63.574 63.200 0.097 0.000 1.006 477 S HN 0.324 nan 8.310 nan 0.000 0.558 478 L N 1.179 122.265 121.223 -0.228 0.000 2.083 478 L HA -0.070 4.269 4.340 -0.002 0.000 0.209 478 L C 2.672 179.570 176.870 0.046 0.000 1.083 478 L CA 1.815 56.496 54.840 -0.265 0.000 0.752 478 L CB -1.384 40.399 42.059 -0.460 0.000 0.899 478 L HN 0.858 nan 8.230 nan 0.000 0.433 479 Q N -0.785 119.008 119.800 -0.010 0.000 2.197 479 Q HA -0.234 4.105 4.340 -0.002 0.000 0.207 479 Q C 1.601 177.588 176.000 -0.021 0.000 0.984 479 Q CA 1.640 57.439 55.803 -0.007 0.000 0.869 479 Q CB -0.293 28.435 28.738 -0.018 0.000 0.906 479 Q HN 0.575 nan 8.270 nan 0.000 0.426 480 D N -0.156 120.203 120.400 -0.068 0.000 2.310 480 D HA -0.105 4.534 4.640 -0.002 0.000 0.212 480 D C 0.586 176.688 176.300 -0.331 0.000 0.965 480 D CA 0.926 54.790 54.000 -0.226 0.000 0.879 480 D CB 0.025 40.617 40.800 -0.347 0.000 0.921 480 D HN 0.255 nan 8.370 nan 0.000 0.510 481 F N 0.253 120.179 119.950 -0.039 0.000 2.645 481 F HA 0.262 4.789 4.527 -0.001 0.000 0.300 481 F C 2.202 177.983 175.800 -0.032 0.000 1.115 481 F CA -0.480 57.500 58.000 -0.032 0.000 1.355 481 F CB 0.031 39.017 39.000 -0.024 0.000 1.026 481 F HN -0.133 nan 8.300 nan 0.000 0.536 482 G N 0.814 109.657 108.800 0.071 0.000 2.556 482 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.220 482 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.220 482 G C 1.982 176.903 174.900 0.035 0.000 1.156 482 G CA 1.108 46.229 45.100 0.036 0.000 0.766 482 G HN 0.439 nan 8.290 nan 0.000 0.583 483 A N 0.286 123.121 122.820 0.024 0.000 1.940 483 A HA 0.076 4.395 4.320 -0.002 0.000 0.219 483 A C 2.412 180.022 177.584 0.043 0.000 1.176 483 A CA 1.397 53.445 52.037 0.019 0.000 0.631 483 A CB -0.351 18.651 19.000 0.002 0.000 0.814 483 A HN 0.395 nan 8.150 nan 0.000 0.446 484 L N -0.713 120.560 121.223 0.083 0.000 2.376 484 L HA -0.029 4.310 4.340 -0.002 0.000 0.219 484 L C 1.932 178.881 176.870 0.131 0.000 1.133 484 L CA 0.390 55.294 54.840 0.105 0.000 0.816 484 L CB -0.243 41.901 42.059 0.141 0.000 0.933 484 L HN 0.385 nan 8.230 nan 0.000 0.449 485 L N -1.046 120.237 121.223 0.100 0.000 2.509 485 L HA 0.050 4.389 4.340 -0.002 0.000 0.222 485 L C 0.710 177.585 176.870 0.007 0.000 1.123 485 L CA 0.255 55.135 54.840 0.067 0.000 0.856 485 L CB -0.119 41.945 42.059 0.008 0.000 0.985 485 L HN 0.243 nan 8.230 nan 0.000 0.456 486 E N 0.123 120.334 120.200 0.018 0.000 2.250 486 E HA 0.227 4.576 4.350 -0.002 0.000 0.265 486 E C -0.322 176.281 176.600 0.005 0.000 1.033 486 E CA -0.751 55.646 56.400 -0.006 0.000 0.888 486 E CB 1.044 30.740 29.700 -0.007 0.000 1.151 486 E HN 0.082 nan 8.360 nan 0.000 0.412 487 E N 1.599 121.793 120.200 -0.010 0.000 2.452 487 E HA -0.053 4.296 4.350 -0.002 0.000 0.261 487 E C -0.379 176.191 176.600 -0.049 0.000 0.987 487 E CA 0.182 56.562 56.400 -0.034 0.000 0.926 487 E CB 0.510 30.215 29.700 0.007 0.000 0.934 487 E HN 0.188 nan 8.360 nan 0.000 0.452 488 Q N 1.480 121.210 119.800 -0.115 0.000 2.261 488 Q HA 0.049 4.388 4.340 -0.002 0.000 0.252 488 Q C 0.727 176.684 176.000 -0.071 0.000 0.915 488 Q CA 0.013 55.764 55.803 -0.086 0.000 0.915 488 Q CB 1.793 30.473 28.738 -0.098 0.000 1.204 488 Q HN 0.548 nan 8.270 nan 0.000 0.421 489 S N 2.710 118.399 115.700 -0.018 0.000 2.357 489 S HA -0.064 4.405 4.470 -0.002 0.000 0.221 489 S C 0.721 175.337 174.600 0.026 0.000 1.031 489 S CA 1.018 59.227 58.200 0.016 0.000 0.982 489 S CB 0.286 63.495 63.200 0.015 0.000 0.853 489 S HN 0.485 nan 8.310 nan 0.000 0.458 490 K N 1.227 121.630 120.400 0.005 0.000 2.087 490 K HA 0.196 4.515 4.320 -0.002 0.000 0.255 490 K C -0.867 175.735 176.600 0.002 0.000 0.988 490 K CA -0.406 55.888 56.287 0.012 0.000 0.915 490 K CB 0.672 33.172 32.500 0.001 0.000 1.043 490 K HN 0.301 nan 8.250 nan 0.000 0.457 491 E N 3.995 124.209 120.200 0.023 0.000 2.194 491 E HA 0.192 4.541 4.350 -0.002 0.000 0.284 491 E C -0.035 176.546 176.600 -0.032 0.000 1.035 491 E CA -0.260 56.152 56.400 0.021 0.000 0.836 491 E CB 0.678 30.424 29.700 0.077 0.000 1.070 491 E HN 0.445 nan 8.360 nan 0.000 0.401 492 I N -1.207 119.312 120.570 -0.086 0.000 3.445 492 I HA 0.600 4.769 4.170 -0.002 0.000 0.303 492 I C -0.082 175.892 176.117 -0.238 0.000 1.129 492 I CA -1.039 60.192 61.300 -0.114 0.000 0.989 492 I CB 1.993 39.948 38.000 -0.076 0.000 1.314 492 I HN 0.375 nan 8.210 nan 0.000 0.488 493 S N -0.853 114.733 115.700 -0.191 0.000 2.739 493 S HA 0.386 4.855 4.470 -0.002 0.000 0.306 493 S C 0.772 175.289 174.600 -0.138 0.000 1.115 493 S CA 0.127 58.177 58.200 -0.249 0.000 0.985 493 S CB 1.300 64.416 63.200 -0.141 0.000 1.133 493 S HN 0.844 nan 8.310 nan 0.000 0.541 494 T N -2.194 112.297 114.554 -0.105 0.000 3.035 494 T HA -0.031 4.318 4.350 -0.002 0.000 0.268 494 T C 1.517 176.244 174.700 0.045 0.000 1.109 494 T CA 1.474 63.566 62.100 -0.013 0.000 1.119 494 T CB -1.030 67.844 68.868 0.010 0.000 0.900 494 T HN 0.601 nan 8.240 nan 0.000 0.503 495 T N 1.930 116.506 114.554 0.037 0.000 2.857 495 T HA 0.228 4.577 4.350 -0.002 0.000 0.266 495 T C 1.845 176.639 174.700 0.158 0.000 1.048 495 T CA 0.731 62.898 62.100 0.111 0.000 1.139 495 T CB -0.313 68.615 68.868 0.101 0.000 0.874 495 T HN 0.379 nan 8.240 nan 0.000 0.455 496 I N 1.286 121.894 120.570 0.064 0.000 2.315 496 I HA -0.123 4.046 4.170 -0.002 0.000 0.248 496 I C 2.858 178.986 176.117 0.017 0.000 1.117 496 I CA 0.848 62.166 61.300 0.031 0.000 1.404 496 I CB -0.388 37.606 38.000 -0.011 0.000 1.071 496 I HN 0.183 nan 8.210 nan 0.000 0.419 497 A N 0.941 123.779 122.820 0.029 0.000 1.902 497 A HA -0.266 4.053 4.320 -0.002 0.000 0.217 497 A C 2.217 179.823 177.584 0.037 0.000 1.181 497 A CA 1.489 53.543 52.037 0.028 0.000 0.623 497 A CB -0.940 18.081 19.000 0.036 0.000 0.818 497 A HN 0.482 nan 8.150 nan 0.000 0.443 498 F N 1.083 121.006 119.950 -0.044 0.000 2.095 498 F HA -0.167 4.360 4.527 -0.001 0.000 0.298 498 F C 2.110 177.855 175.800 -0.091 0.000 1.104 498 F CA 2.049 60.007 58.000 -0.069 0.000 1.232 498 F CB -0.632 38.328 39.000 -0.066 0.000 0.987 498 F HN 0.015 nan 8.300 nan 0.000 0.475 499 V N 1.177 120.852 119.914 -0.399 0.000 2.332 499 V HA -0.306 3.813 4.120 -0.002 0.000 0.248 499 V C 2.577 178.460 176.094 -0.353 0.000 1.055 499 V CA 2.374 64.391 62.300 -0.471 0.000 1.038 499 V CB -0.818 30.926 31.823 -0.133 0.000 0.651 499 V HN 0.304 nan 8.190 nan 0.000 0.450 500 R N 0.003 120.387 120.500 -0.194 0.000 2.096 500 R HA -0.094 4.245 4.340 -0.002 0.000 0.235 500 R C 2.406 178.635 176.300 -0.119 0.000 1.127 500 R CA 1.402 57.428 56.100 -0.122 0.000 0.968 500 R CB -0.538 29.731 30.300 -0.052 0.000 0.861 500 R HN 0.550 nan 8.270 nan 0.000 0.440 501 A N 0.908 123.651 122.820 -0.128 0.000 1.930 501 A HA -0.097 4.222 4.320 -0.002 0.000 0.217 501 A C 2.105 179.598 177.584 -0.151 0.000 1.175 501 A CA 0.921 52.964 52.037 0.010 0.000 0.627 501 A CB -0.399 18.600 19.000 -0.002 0.000 0.815 501 A HN 0.202 nan 8.150 nan 0.000 0.443 502 L N -0.267 120.674 121.223 -0.471 0.000 2.046 502 L HA -0.198 4.141 4.340 -0.002 0.000 0.208 502 L C 2.311 178.997 176.870 -0.306 0.000 1.077 502 L CA 1.179 55.685 54.840 -0.558 0.000 0.747 502 L CB -0.483 41.110 42.059 -0.776 0.000 0.896 502 L HN 0.440 nan 8.230 nan 0.000 0.432 503 N N -0.477 118.079 118.700 -0.240 0.000 2.223 503 N HA -0.153 4.586 4.740 -0.002 0.000 0.185 503 N C 1.786 177.205 175.510 -0.150 0.000 1.016 503 N CA 1.231 54.186 53.050 -0.158 0.000 0.863 503 N CB -0.088 38.325 38.487 -0.125 0.000 0.983 503 N HN 0.152 nan 8.380 nan 0.000 0.429 504 V N 1.768 121.580 119.914 -0.170 0.000 2.295 504 V HA -0.196 3.923 4.120 -0.002 0.000 0.246 504 V C 2.374 178.327 176.094 -0.234 0.000 1.049 504 V CA 1.396 63.546 62.300 -0.250 0.000 1.024 504 V CB -0.384 31.177 31.823 -0.437 0.000 0.648 504 V HN 0.266 nan 8.190 nan 0.000 0.447 505 M N -0.799 118.699 119.600 -0.169 0.000 2.213 505 M HA -0.143 4.336 4.480 -0.002 0.000 0.263 505 M C 1.977 178.225 176.300 -0.086 0.000 1.062 505 M CA 1.724 56.967 55.300 -0.095 0.000 1.105 505 M CB -0.393 32.179 32.600 -0.047 0.000 1.385 505 M HN 0.257 nan 8.290 nan 0.000 0.417 506 L N -0.140 121.019 121.223 -0.106 0.000 2.551 506 L HA -0.117 4.222 4.340 -0.002 0.000 0.228 506 L C 2.251 179.081 176.870 -0.067 0.000 1.153 506 L CA 0.750 55.545 54.840 -0.074 0.000 0.851 506 L CB -0.344 41.669 42.059 -0.077 0.000 0.959 506 L HN 0.296 nan 8.230 nan 0.000 0.451 507 K N -0.079 120.269 120.400 -0.088 0.000 2.353 507 K HA 0.014 4.333 4.320 -0.002 0.000 0.195 507 K C 0.755 177.312 176.600 -0.072 0.000 1.031 507 K CA -0.138 56.101 56.287 -0.080 0.000 1.079 507 K CB 0.408 32.847 32.500 -0.101 0.000 0.857 507 K HN 0.128 nan 8.250 nan 0.000 0.535 508 N N 1.918 120.575 118.700 -0.071 0.000 2.401 508 N HA 0.013 4.752 4.740 -0.002 0.000 0.255 508 N C 0.076 175.569 175.510 -0.028 0.000 1.110 508 N CA 0.124 53.144 53.050 -0.050 0.000 0.949 508 N CB 0.965 39.428 38.487 -0.040 0.000 1.110 508 N HN 0.110 nan 8.380 nan 0.000 0.490 509 K N 1.390 121.776 120.400 -0.023 0.000 2.211 509 K HA -0.130 4.189 4.320 -0.002 0.000 0.204 509 K C 1.720 178.316 176.600 -0.007 0.000 1.047 509 K CA 0.959 57.238 56.287 -0.015 0.000 0.935 509 K CB 0.050 32.543 32.500 -0.012 0.000 0.728 509 K HN 0.399 nan 8.250 nan 0.000 0.452 510 S N 1.088 116.788 115.700 0.000 0.000 2.387 510 S HA -0.052 4.417 4.470 -0.002 0.000 0.226 510 S C 1.742 176.342 174.600 0.000 0.000 1.026 510 S CA 1.044 59.249 58.200 0.008 0.000 0.972 510 S CB 0.009 63.224 63.200 0.024 0.000 0.814 510 S HN 0.434 nan 8.310 nan 0.000 0.477 511 I N -1.455 119.114 120.570 -0.002 0.000 4.227 511 I HA 0.300 4.469 4.170 -0.002 0.000 0.334 511 I C 1.612 177.728 176.117 -0.002 0.000 1.341 511 I CA -0.099 61.195 61.300 -0.010 0.000 1.123 511 I CB -0.163 37.836 38.000 -0.002 0.000 1.097 511 I HN 0.087 nan 8.210 nan 0.000 0.399 512 K N 1.451 121.847 120.400 -0.006 0.000 2.107 512 K HA -0.217 4.102 4.320 -0.002 0.000 0.211 512 K C 0.907 177.510 176.600 0.006 0.000 1.049 512 K CA 2.409 58.693 56.287 -0.006 0.000 0.927 512 K CB -0.638 31.852 32.500 -0.017 0.000 0.714 512 K HN 0.346 nan 8.250 nan 0.000 0.452 513 D N -0.125 120.275 120.400 -0.001 0.000 2.349 513 D HA 0.009 4.648 4.640 -0.002 0.000 0.215 513 D C 1.598 177.907 176.300 0.014 0.000 1.016 513 D CA 0.283 54.282 54.000 -0.002 0.000 0.870 513 D CB 0.217 41.003 40.800 -0.024 0.000 0.917 513 D HN 0.205 nan 8.370 nan 0.000 0.524 514 R N 0.254 120.762 120.500 0.013 0.000 2.246 514 R HA 0.174 4.513 4.340 -0.002 0.000 0.199 514 R C 0.907 177.249 176.300 0.070 0.000 0.984 514 R CA -0.064 56.044 56.100 0.013 0.000 1.015 514 R CB -0.122 30.139 30.300 -0.065 0.000 0.930 514 R HN 0.213 nan 8.270 nan 0.000 0.475 515 L N 1.475 122.763 121.223 0.108 0.000 2.453 515 L HA 0.109 4.448 4.340 -0.002 0.000 0.272 515 L C 0.073 177.094 176.870 0.251 0.000 1.182 515 L CA -0.085 54.883 54.840 0.212 0.000 0.858 515 L CB 0.764 42.932 42.059 0.181 0.000 1.120 515 L HN -0.273 nan 8.230 nan 0.000 0.474 516 V N 4.184 124.289 119.914 0.318 0.000 2.320 516 V HA 0.253 4.372 4.120 -0.002 0.000 0.268 516 V C -2.302 173.998 176.094 0.343 0.000 1.021 516 V CA -1.477 60.999 62.300 0.293 0.000 0.813 516 V CB 1.223 33.186 31.823 0.233 0.000 1.054 516 V HN 0.600 nan 8.190 nan 0.000 0.444 517 P HA 0.408 nan 4.420 nan 0.000 0.276 517 P C -0.549 176.939 177.300 0.313 0.000 1.235 517 P CA 0.169 63.483 63.100 0.358 0.000 0.772 517 P CB 0.764 32.620 31.700 0.261 0.000 0.871 518 I N 4.346 125.148 120.570 0.387 0.000 2.545 518 I HA 0.492 4.661 4.170 -0.002 0.000 0.292 518 I C 0.003 176.394 176.117 0.456 0.000 1.040 518 I CA -0.693 60.803 61.300 0.327 0.000 1.068 518 I CB 1.749 39.885 38.000 0.226 0.000 1.251 518 I HN 0.139 nan 8.210 nan 0.000 0.424 519 I N 3.874 124.670 120.570 0.376 0.000 2.865 519 I HA 0.559 4.728 4.170 -0.002 0.000 0.302 519 I C -0.249 176.108 176.117 0.399 0.000 1.140 519 I CA -0.783 60.784 61.300 0.445 0.000 1.021 519 I CB 2.411 40.669 38.000 0.430 0.000 1.233 519 I HN 0.607 nan 8.210 nan 0.000 0.427 520 A N 3.019 126.121 122.820 0.470 0.000 2.937 520 A HA 0.529 4.848 4.320 -0.002 0.000 0.338 520 A C 0.168 177.957 177.584 0.342 0.000 1.273 520 A CA 0.030 52.288 52.037 0.368 0.000 0.937 520 A CB -0.072 19.175 19.000 0.411 0.000 1.133 520 A HN 0.959 nan 8.150 nan 0.000 0.491 521 D N 0.735 121.309 120.400 0.290 0.000 4.286 521 D HA -0.231 4.408 4.640 -0.002 0.000 0.203 521 D C 0.566 177.047 176.300 0.303 0.000 1.071 521 D CA 2.212 56.367 54.000 0.258 0.000 2.291 521 D CB -1.162 39.761 40.800 0.205 0.000 1.164 521 D HN 0.695 nan 8.370 nan 0.000 0.407 522 E N 1.610 122.017 120.200 0.344 0.000 2.328 522 E HA 0.388 4.737 4.350 -0.002 0.000 0.265 522 E C 0.336 177.151 176.600 0.358 0.000 1.057 522 E CA 0.676 57.260 56.400 0.307 0.000 0.916 522 E CB 1.185 31.102 29.700 0.363 0.000 0.993 522 E HN 0.569 nan 8.360 nan 0.000 0.446 523 A N 4.941 127.909 122.820 0.247 0.000 2.048 523 A HA 0.099 4.419 4.320 -0.002 0.000 0.197 523 A C 2.022 179.629 177.584 0.039 0.000 1.486 523 A CA 0.035 52.240 52.037 0.280 0.000 1.029 523 A CB 0.161 19.388 19.000 0.378 0.000 1.101 523 A HN 0.517 nan 8.150 nan 0.000 0.470 524 R N 0.090 120.553 120.500 -0.063 0.000 2.091 524 R HA -0.097 4.242 4.340 -0.002 0.000 0.238 524 R C 1.977 178.183 176.300 -0.157 0.000 1.136 524 R CA 1.984 58.012 56.100 -0.120 0.000 0.959 524 R CB -0.708 29.537 30.300 -0.091 0.000 0.856 524 R HN 0.451 nan 8.270 nan 0.000 0.437 525 T N 0.607 114.994 114.554 -0.278 0.000 2.803 525 T HA -0.127 4.222 4.350 -0.002 0.000 0.269 525 T C 0.874 175.277 174.700 -0.495 0.000 1.052 525 T CA 1.227 63.051 62.100 -0.460 0.000 1.136 525 T CB -0.149 68.274 68.868 -0.740 0.000 0.864 525 T HN 0.118 nan 8.240 nan 0.000 0.467 526 F N 0.605 120.528 119.950 -0.045 0.000 2.660 526 F HA 0.432 4.958 4.527 -0.002 0.000 0.302 526 F C 1.735 177.534 175.800 -0.001 0.000 1.103 526 F CA -1.080 56.903 58.000 -0.028 0.000 1.340 526 F CB -0.795 38.207 39.000 0.003 0.000 1.048 526 F HN 0.180 nan 8.300 nan 0.000 0.551 527 G N 0.813 109.647 108.800 0.057 0.000 2.379 527 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.297 527 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.297 527 G C 1.044 175.960 174.900 0.027 0.000 1.004 527 G CA 0.533 45.640 45.100 0.013 0.000 0.921 527 G HN 0.273 nan 8.290 nan 0.000 0.511 528 M N -0.044 119.581 119.600 0.043 0.000 2.509 528 M HA 0.035 4.514 4.480 -0.002 0.000 0.250 528 M C 2.385 178.602 176.300 -0.140 0.000 1.132 528 M CA 1.204 56.551 55.300 0.080 0.000 1.080 528 M CB -0.283 32.489 32.600 0.287 0.000 1.408 528 M HN 0.585 nan 8.290 nan 0.000 0.484 529 E N 0.570 120.486 120.200 -0.473 0.000 2.267 529 E HA -0.153 4.196 4.350 -0.002 0.000 0.197 529 E C 1.732 178.177 176.600 -0.259 0.000 0.998 529 E CA 1.713 57.620 56.400 -0.822 0.000 0.830 529 E CB -1.066 28.282 29.700 -0.588 0.000 0.751 529 E HN 0.461 nan 8.360 nan 0.000 0.491 530 G N 1.463 110.200 108.800 -0.105 0.000 2.448 530 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.219 530 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.219 530 G C 1.746 176.682 174.900 0.060 0.000 1.127 530 G CA 0.746 45.836 45.100 -0.016 0.000 0.766 530 G HN 0.268 nan 8.290 nan 0.000 0.552 531 L N -0.774 120.529 121.223 0.134 0.000 2.209 531 L HA 0.149 4.488 4.340 -0.002 0.000 0.207 531 L C 2.478 179.538 176.870 0.316 0.000 1.094 531 L CA -0.004 54.954 54.840 0.197 0.000 0.790 531 L CB -0.349 41.834 42.059 0.206 0.000 0.932 531 L HN 0.028 nan 8.230 nan 0.000 0.447 532 F N 1.131 121.112 119.950 0.052 0.000 2.115 532 F HA -0.259 4.266 4.527 -0.003 0.000 0.300 532 F C 2.670 178.496 175.800 0.043 0.000 1.092 532 F CA 1.380 59.415 58.000 0.059 0.000 1.245 532 F CB -0.757 38.279 39.000 0.062 0.000 0.995 532 F HN 0.046 nan 8.300 nan 0.000 0.481 533 R N -0.401 120.240 120.500 0.235 0.000 2.093 533 R HA -0.092 4.247 4.340 -0.002 0.000 0.224 533 R C 2.111 178.463 176.300 0.087 0.000 1.101 533 R CA 1.078 57.254 56.100 0.127 0.000 0.979 533 R CB -0.474 29.879 30.300 0.088 0.000 0.877 533 R HN 0.396 nan 8.270 nan 0.000 0.441 534 Q N 0.627 120.479 119.800 0.086 0.000 2.020 534 Q HA -0.067 4.272 4.340 -0.002 0.000 0.198 534 Q C 2.144 178.173 176.000 0.048 0.000 0.974 534 Q CA 1.538 57.372 55.803 0.053 0.000 0.829 534 Q CB 0.092 28.854 28.738 0.040 0.000 0.894 534 Q HN 0.476 nan 8.270 nan 0.000 0.433 535 I N -4.314 116.294 120.570 0.064 0.000 4.139 535 I HA 0.419 4.588 4.170 -0.002 0.000 0.335 535 I C 0.739 176.883 176.117 0.046 0.000 1.327 535 I CA 0.146 61.476 61.300 0.051 0.000 1.112 535 I CB 0.356 38.390 38.000 0.056 0.000 1.058 535 I HN 0.143 nan 8.210 nan 0.000 0.396 536 G N 2.849 111.674 108.800 0.041 0.000 2.880 536 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.617 536 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.617 536 G C -0.707 174.154 174.900 -0.065 0.000 1.493 536 G CA -0.425 44.672 45.100 -0.004 0.000 0.916 536 G HN 0.206 nan 8.290 nan 0.000 0.553 537 I N 0.734 121.232 120.570 -0.119 0.000 2.359 537 I HA 0.276 4.445 4.170 -0.002 0.000 0.294 537 I C 0.464 176.607 176.117 0.043 0.000 0.987 537 I CA -1.126 60.102 61.300 -0.119 0.000 1.225 537 I CB 1.211 39.056 38.000 -0.258 0.000 1.366 537 I HN 0.556 nan 8.210 nan 0.000 0.466 538 Y N 5.741 126.052 120.300 0.019 0.000 2.677 538 Y HA 0.127 4.676 4.550 -0.002 0.000 0.335 538 Y C 0.504 176.427 175.900 0.037 0.000 1.162 538 Y CA 0.327 58.478 58.100 0.084 0.000 1.483 538 Y CB 0.479 39.086 38.460 0.245 0.000 1.209 538 Y HN 0.564 nan 8.280 nan 0.000 0.528 539 S N 8.521 123.981 115.700 -0.400 0.000 2.488 539 S HA 0.404 4.873 4.470 -0.002 0.000 0.151 539 S C -2.639 171.703 174.600 -0.430 0.000 1.401 539 S CA -1.202 56.770 58.200 -0.379 0.000 1.221 539 S CB 0.022 63.118 63.200 -0.175 0.000 1.407 539 S HN 0.546 nan 8.310 nan 0.000 0.406 559 D N -0.448 119.912 120.400 -0.067 0.000 2.798 559 D HA 0.103 4.742 4.640 -0.002 0.000 0.308 559 D C 0.981 177.200 176.300 -0.134 0.000 1.187 559 D CA -0.623 53.312 54.000 -0.108 0.000 1.033 559 D CB 0.133 40.885 40.800 -0.081 0.000 1.445 559 D HN 0.057 nan 8.370 nan 0.000 0.550 560 E N -0.251 119.832 120.200 -0.195 0.000 2.472 560 E HA -0.178 4.171 4.350 -0.002 0.000 0.200 560 E C 1.012 177.651 176.600 0.065 0.000 1.046 560 E CA 0.906 57.179 56.400 -0.211 0.000 0.871 560 E CB -0.047 29.343 29.700 -0.517 0.000 0.806 560 E HN 0.310 nan 8.360 nan 0.000 0.533 561 K N 1.282 121.696 120.400 0.023 0.000 2.367 561 K HA 0.162 4.481 4.320 -0.002 0.000 0.194 561 K C 0.609 177.247 176.600 0.064 0.000 1.027 561 K CA 0.455 56.758 56.287 0.027 0.000 1.075 561 K CB 0.308 32.801 32.500 -0.012 0.000 0.845 561 K HN 0.160 nan 8.250 nan 0.000 0.529 562 G N 0.820 109.696 108.800 0.127 0.000 2.353 562 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.239 562 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.239 562 G C 0.122 175.157 174.900 0.226 0.000 1.295 562 G CA -0.222 44.965 45.100 0.144 0.000 0.884 562 G HN 0.432 nan 8.290 nan 0.000 0.537 563 Q N 1.353 121.251 119.800 0.163 0.000 2.339 563 Q HA 0.142 4.481 4.340 -0.002 0.000 0.205 563 Q C 0.853 177.021 176.000 0.280 0.000 0.925 563 Q CA 0.108 56.042 55.803 0.219 0.000 0.898 563 Q CB 0.067 28.884 28.738 0.133 0.000 1.013 563 Q HN 0.653 nan 8.270 nan 0.000 0.504 564 I N 2.161 122.836 120.570 0.175 0.000 2.395 564 I HA 0.113 4.282 4.170 -0.002 0.000 0.289 564 I C -0.525 175.678 176.117 0.143 0.000 1.023 564 I CA -0.365 61.011 61.300 0.126 0.000 1.350 564 I CB 1.117 39.114 38.000 -0.004 0.000 1.409 564 I HN 0.100 nan 8.210 nan 0.000 0.507 565 L N 6.435 127.730 121.223 0.121 0.000 2.260 565 L HA 0.287 4.626 4.340 -0.002 0.000 0.289 565 L C -0.130 176.820 176.870 0.133 0.000 1.057 565 L CA -0.467 54.445 54.840 0.119 0.000 0.811 565 L CB 0.904 42.971 42.059 0.013 0.000 1.184 565 L HN 0.554 nan 8.230 nan 0.000 0.429 566 Q N 2.981 122.860 119.800 0.132 0.000 2.431 566 Q HA 0.158 4.497 4.340 -0.002 0.000 0.249 566 Q C 0.059 176.144 176.000 0.141 0.000 1.025 566 Q CA -0.079 55.804 55.803 0.135 0.000 0.835 566 Q CB 1.068 29.858 28.738 0.087 0.000 1.207 566 Q HN 0.415 nan 8.270 nan 0.000 0.490 567 E N 3.035 123.322 120.200 0.144 0.000 2.479 567 E HA 0.212 4.561 4.350 -0.002 0.000 0.193 567 E C 0.712 177.388 176.600 0.127 0.000 1.049 567 E CA 0.575 57.056 56.400 0.134 0.000 0.870 567 E CB 0.283 30.025 29.700 0.070 0.000 0.944 567 E HN 0.912 nan 8.360 nan 0.000 0.492 568 G N 2.054 110.940 108.800 0.143 0.000 2.598 568 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.244 568 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.244 568 G C 0.139 175.113 174.900 0.125 0.000 1.302 568 G CA -0.231 44.948 45.100 0.131 0.000 0.903 568 G HN 0.231 nan 8.290 nan 0.000 0.575 569 I N 2.098 122.721 120.570 0.090 0.000 2.532 569 I HA 0.205 4.374 4.170 -0.002 0.000 0.302 569 I C 0.618 176.750 176.117 0.025 0.000 1.176 569 I CA 0.360 61.693 61.300 0.055 0.000 1.975 569 I CB -0.559 37.452 38.000 0.018 0.000 1.536 569 I HN 0.412 nan 8.210 nan 0.000 0.919 570 N N 3.329 122.050 118.700 0.035 0.000 2.946 570 N HA 0.082 4.821 4.740 -0.002 0.000 0.213 570 N C 0.479 175.966 175.510 -0.038 0.000 1.440 570 N CA -0.141 52.904 53.050 -0.009 0.000 0.745 570 N CB 0.695 39.187 38.487 0.009 0.000 1.471 570 N HN 0.160 nan 8.380 nan 0.000 0.569 571 E N 0.461 120.655 120.200 -0.011 0.000 2.153 571 E HA -0.080 4.269 4.350 -0.002 0.000 0.194 571 E C 1.547 178.071 176.600 -0.127 0.000 0.988 571 E CA 0.742 57.153 56.400 0.019 0.000 0.811 571 E CB 0.187 29.912 29.700 0.042 0.000 0.746 571 E HN 0.499 nan 8.360 nan 0.000 0.466 572 L N -0.015 121.122 121.223 -0.142 0.000 2.056 572 L HA 0.007 4.346 4.340 -0.002 0.000 0.207 572 L C 2.057 178.721 176.870 -0.344 0.000 1.078 572 L CA 2.122 56.852 54.840 -0.183 0.000 0.749 572 L CB -0.909 41.084 42.059 -0.111 0.000 0.901 572 L HN 0.189 nan 8.230 nan 0.000 0.433 573 G N -1.265 107.269 108.800 -0.443 0.000 2.402 573 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.216 573 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.216 573 G C 1.605 175.890 174.900 -1.025 0.000 1.162 573 G CA 0.723 45.172 45.100 -1.086 0.000 0.777 573 G HN 0.594 nan 8.290 nan 0.000 0.539 574 A N 0.933 123.396 122.820 -0.594 0.000 1.902 574 A HA 0.149 4.468 4.320 -0.002 0.000 0.217 574 A C 2.708 179.815 177.584 -0.795 0.000 1.181 574 A CA 2.094 53.734 52.037 -0.662 0.000 0.623 574 A CB -1.082 17.479 19.000 -0.732 0.000 0.818 574 A HN 0.527 nan 8.150 nan 0.000 0.443 575 G N -1.088 107.319 108.800 -0.655 0.000 2.422 575 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.218 575 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.218 575 G C 1.535 176.325 174.900 -0.184 0.000 1.146 575 G CA 1.306 46.172 45.100 -0.389 0.000 0.769 575 G HN 0.524 nan 8.290 nan 0.000 0.547 576 C N 0.468 119.596 119.300 -0.286 0.000 2.450 576 C HA 0.066 4.525 4.460 -0.002 0.000 0.279 576 C C 3.357 178.288 174.990 -0.098 0.000 1.335 576 C CA 1.096 60.020 59.018 -0.156 0.000 1.749 576 C CB -0.703 26.920 27.740 -0.195 0.000 1.963 576 C HN 0.403 nan 8.230 nan 0.000 0.501 577 S N -0.597 114.992 115.700 -0.186 0.000 2.368 577 S HA -0.197 4.272 4.470 -0.002 0.000 0.224 577 S C 1.422 175.918 174.600 -0.174 0.000 1.029 577 S CA 1.287 59.434 58.200 -0.087 0.000 0.988 577 S CB -0.387 62.779 63.200 -0.056 0.000 0.838 577 S HN 0.844 nan 8.310 nan 0.000 0.462 578 W N 2.146 123.251 121.300 -0.325 0.000 2.358 578 W HA -0.099 4.559 4.660 -0.002 0.000 0.303 578 W C 1.810 178.186 176.519 -0.240 0.000 1.208 578 W CA 0.884 58.078 57.345 -0.251 0.000 1.274 578 W CB -0.476 28.862 29.460 -0.203 0.000 1.138 578 W HN 0.247 nan 8.180 nan 0.000 0.515 579 L N 1.697 122.918 121.223 -0.004 0.000 2.046 579 L HA -0.029 4.311 4.340 -0.002 0.000 0.208 579 L C 2.431 179.126 176.870 -0.292 0.000 1.077 579 L CA 2.718 57.469 54.840 -0.148 0.000 0.747 579 L CB -1.478 40.633 42.059 0.088 0.000 0.896 579 L HN 0.078 nan 8.230 nan 0.000 0.432 580 A N -0.563 122.071 122.820 -0.309 0.000 1.902 580 A HA -0.081 4.238 4.320 -0.002 0.000 0.217 580 A C 2.422 179.487 177.584 -0.866 0.000 1.181 580 A CA 1.825 53.607 52.037 -0.426 0.000 0.623 580 A CB -1.091 17.683 19.000 -0.378 0.000 0.818 580 A HN 0.567 nan 8.150 nan 0.000 0.443 581 A N -0.427 121.695 122.820 -1.163 0.000 1.929 581 A HA 0.312 4.631 4.320 -0.002 0.000 0.216 581 A C 2.371 179.657 177.584 -0.496 0.000 1.176 581 A CA 1.586 53.000 52.037 -1.038 0.000 0.628 581 A CB -0.803 17.767 19.000 -0.717 0.000 0.816 581 A HN 1.039 nan 8.150 nan 0.000 0.444 582 A N -0.407 122.032 122.820 -0.634 0.000 2.168 582 A HA 0.071 4.390 4.320 -0.002 0.000 0.215 582 A C 1.906 179.418 177.584 -0.120 0.000 1.152 582 A CA 1.927 53.649 52.037 -0.525 0.000 0.716 582 A CB -0.710 17.549 19.000 -1.236 0.000 0.794 582 A HN 0.734 nan 8.150 nan 0.000 0.465 583 T N -4.810 109.642 114.554 -0.170 0.000 3.084 583 T HA 0.182 4.531 4.350 -0.002 0.000 0.270 583 T C 1.444 176.001 174.700 -0.238 0.000 1.008 583 T CA 0.706 62.695 62.100 -0.186 0.000 0.900 583 T CB 0.110 68.889 68.868 -0.148 0.000 1.084 583 T HN 0.167 nan 8.240 nan 0.000 0.538 584 S N 1.650 117.303 115.700 -0.080 0.000 2.400 584 S HA -0.163 4.306 4.470 -0.002 0.000 0.232 584 S C 1.889 176.508 174.600 0.032 0.000 1.025 584 S CA 1.457 59.679 58.200 0.038 0.000 0.993 584 S CB -0.679 62.629 63.200 0.180 0.000 0.808 584 S HN 0.825 nan 8.310 nan 0.000 0.478 585 Y N 0.824 121.176 120.300 0.087 0.000 2.256 585 Y HA 0.050 4.599 4.550 -0.002 0.000 0.288 585 Y C 2.498 178.501 175.900 0.172 0.000 1.155 585 Y CA 1.470 59.648 58.100 0.129 0.000 1.203 585 Y CB -1.015 37.559 38.460 0.191 0.000 0.980 585 Y HN 0.308 nan 8.280 nan 0.000 0.530 586 S N -0.405 114.849 115.700 -0.742 0.000 2.444 586 S HA -0.068 4.401 4.470 -0.002 0.000 0.223 586 S C 1.896 176.379 174.600 -0.195 0.000 1.054 586 S CA 1.040 58.957 58.200 -0.471 0.000 0.947 586 S CB -0.865 61.904 63.200 -0.718 0.000 0.850 586 S HN 0.561 nan 8.310 nan 0.000 0.527 587 T N 2.924 117.367 114.554 -0.186 0.000 2.720 587 T HA -0.001 4.348 4.350 -0.002 0.000 0.268 587 T C 1.067 175.789 174.700 0.035 0.000 1.037 587 T CA 1.470 63.547 62.100 -0.037 0.000 1.144 587 T CB -0.279 68.631 68.868 0.071 0.000 0.864 587 T HN 0.460 nan 8.240 nan 0.000 0.444 588 N N 0.578 119.309 118.700 0.051 0.000 2.197 588 N HA 0.108 4.848 4.740 -0.002 0.000 0.228 588 N C 0.162 175.721 175.510 0.081 0.000 1.212 588 N CA -0.015 53.082 53.050 0.078 0.000 0.883 588 N CB 0.283 38.832 38.487 0.104 0.000 1.107 588 N HN 0.237 nan 8.380 nan 0.000 0.519 589 N N 0.837 119.591 118.700 0.090 0.000 2.710 589 N HA -0.223 4.516 4.740 -0.002 0.000 0.249 589 N C -1.190 174.410 175.510 0.150 0.000 1.059 589 N CA 0.324 53.465 53.050 0.152 0.000 0.720 589 N CB -1.211 37.355 38.487 0.131 0.000 0.983 589 N HN 0.316 nan 8.380 nan 0.000 0.544 590 L N 0.543 121.840 121.223 0.123 0.000 2.454 590 L HA 0.554 4.893 4.340 -0.002 0.000 0.258 590 L C -2.341 174.565 176.870 0.060 0.000 1.025 590 L CA -1.723 53.165 54.840 0.079 0.000 0.901 590 L CB 1.322 43.425 42.059 0.074 0.000 1.210 590 L HN -0.037 nan 8.230 nan 0.000 0.457 591 P HA 0.106 nan 4.420 nan 0.000 0.266 591 P C -1.010 176.197 177.300 -0.156 0.000 1.215 591 P CA 0.148 63.171 63.100 -0.129 0.000 0.763 591 P CB 0.773 32.111 31.700 -0.603 0.000 0.806 592 M N 4.201 123.746 119.600 -0.091 0.000 2.465 592 M HA 0.445 4.924 4.480 -0.002 0.000 0.316 592 M C 0.092 176.251 176.300 -0.235 0.000 1.121 592 M CA -0.842 54.419 55.300 -0.066 0.000 0.934 592 M CB 1.933 34.631 32.600 0.163 0.000 1.692 592 M HN 0.238 nan 8.290 nan 0.000 0.444 593 I N 5.279 125.722 120.570 -0.211 0.000 2.388 593 I HA 0.285 4.454 4.170 -0.002 0.000 0.281 593 I C -2.135 173.963 176.117 -0.032 0.000 1.046 593 I CA -1.587 59.574 61.300 -0.232 0.000 1.187 593 I CB 1.404 39.269 38.000 -0.225 0.000 1.351 593 I HN 0.229 nan 8.210 nan 0.000 0.472 594 P HA 0.300 nan 4.420 nan 0.000 0.282 594 P C -1.075 176.304 177.300 0.132 0.000 1.249 594 P CA -0.255 62.878 63.100 0.055 0.000 0.806 594 P CB 0.982 32.566 31.700 -0.195 0.000 0.984 595 F N 2.231 122.471 119.950 0.485 0.000 2.610 595 F HA 0.239 4.766 4.527 -0.001 0.000 0.355 595 F C -0.212 175.904 175.800 0.525 0.000 1.140 595 F CA -0.742 57.581 58.000 0.537 0.000 1.037 595 F CB 1.097 40.380 39.000 0.472 0.000 1.287 595 F HN 0.234 nan 8.300 nan 0.000 0.457 596 Y N 5.369 125.948 120.300 0.465 0.000 2.385 596 Y HA 0.625 5.174 4.550 -0.002 0.000 0.341 596 Y C -1.168 174.861 175.900 0.214 0.000 0.965 596 Y CA -2.098 56.179 58.100 0.295 0.000 1.180 596 Y CB 0.778 39.308 38.460 0.117 0.000 1.139 596 Y HN 0.521 nan 8.280 nan 0.000 0.502 597 I N 9.547 130.170 120.570 0.089 0.000 2.377 597 I HA 0.518 4.687 4.170 -0.002 0.000 0.293 597 I C -1.574 174.225 176.117 -0.531 0.000 0.987 597 I CA -0.532 60.492 61.300 -0.460 0.000 1.185 597 I CB 0.452 38.182 38.000 -0.451 0.000 1.341 597 I HN 0.566 nan 8.210 nan 0.000 0.455 598 Y N 3.872 123.686 120.300 -0.810 0.000 2.788 598 Y HA 0.496 5.045 4.550 -0.002 0.000 0.335 598 Y C -1.832 173.984 175.900 -0.140 0.000 1.287 598 Y CA -1.570 56.319 58.100 -0.352 0.000 1.068 598 Y CB 0.249 38.481 38.460 -0.379 0.000 1.340 598 Y HN 0.359 nan 8.280 nan 0.000 0.449 599 Y N 2.258 122.738 120.300 0.299 0.000 2.605 599 Y HA 0.169 4.718 4.550 -0.002 0.000 0.336 599 Y C 1.876 177.759 175.900 -0.028 0.000 1.111 599 Y CA 0.880 59.066 58.100 0.144 0.000 1.422 599 Y CB 1.029 39.554 38.460 0.109 0.000 1.193 599 Y HN 0.801 nan 8.280 nan 0.000 0.526 600 S N 2.184 117.817 115.700 -0.112 0.000 2.392 600 S HA -0.372 4.097 4.470 -0.002 0.000 0.232 600 S C 1.997 176.637 174.600 0.066 0.000 1.041 600 S CA 1.649 59.828 58.200 -0.035 0.000 1.026 600 S CB -0.372 62.805 63.200 -0.037 0.000 0.845 600 S HN 0.817 nan 8.310 nan 0.000 0.465 601 M N 1.425 120.944 119.600 -0.135 0.000 2.108 601 M HA 0.080 4.559 4.480 -0.002 0.000 0.261 601 M C 0.520 176.741 176.300 -0.133 0.000 1.066 601 M CA 1.383 56.513 55.300 -0.284 0.000 1.107 601 M CB -0.864 31.366 32.600 -0.616 0.000 1.356 601 M HN 0.319 nan 8.290 nan 0.000 0.406 602 F N -0.136 119.920 119.950 0.177 0.000 2.757 602 F HA 0.422 4.948 4.527 -0.002 0.000 0.292 602 F C 1.510 177.321 175.800 0.017 0.000 1.204 602 F CA -0.338 57.721 58.000 0.099 0.000 1.417 602 F CB -1.710 37.346 39.000 0.094 0.000 1.001 602 F HN 0.136 nan 8.300 nan 0.000 0.508 603 G N -0.370 108.540 108.800 0.182 0.000 3.226 603 G HA2 0.069 4.028 3.960 -0.002 0.000 0.190 603 G HA3 0.069 4.028 3.960 -0.002 0.000 0.190 603 G C 1.061 175.861 174.900 -0.167 0.000 1.988 603 G CA -0.188 44.840 45.100 -0.120 0.000 0.859 603 G HN 0.106 nan 8.290 nan 0.000 0.631 604 F N 0.987 120.858 119.950 -0.133 0.000 2.184 604 F HA -0.138 4.388 4.527 -0.001 0.000 0.301 604 F C 2.925 178.709 175.800 -0.028 0.000 1.076 604 F CA 1.914 59.848 58.000 -0.109 0.000 1.295 604 F CB -0.235 38.667 39.000 -0.163 0.000 1.026 604 F HN 0.334 nan 8.300 nan 0.000 0.494 605 Q N 0.393 120.304 119.800 0.184 0.000 2.124 605 Q HA -0.207 4.132 4.340 -0.002 0.000 0.202 605 Q C 2.409 178.486 176.000 0.127 0.000 0.977 605 Q CA 1.607 57.510 55.803 0.166 0.000 0.850 605 Q CB -0.066 28.790 28.738 0.197 0.000 0.901 605 Q HN 0.390 nan 8.270 nan 0.000 0.429 606 R N 0.194 120.759 120.500 0.108 0.000 2.156 606 R HA 0.099 4.438 4.340 -0.002 0.000 0.207 606 R C 1.452 177.756 176.300 0.008 0.000 1.040 606 R CA 0.884 57.025 56.100 0.068 0.000 1.013 606 R CB 0.283 30.638 30.300 0.091 0.000 0.931 606 R HN 0.486 nan 8.270 nan 0.000 0.465 607 I N -3.497 117.049 120.570 -0.039 0.000 3.569 607 I HA 0.449 4.618 4.170 -0.002 0.000 0.334 607 I C 0.922 177.006 176.117 -0.054 0.000 1.570 607 I CA -0.311 60.945 61.300 -0.073 0.000 1.082 607 I CB 0.957 38.866 38.000 -0.153 0.000 1.323 607 I HN -0.024 nan 8.210 nan 0.000 0.489 608 G N 1.371 110.187 108.800 0.028 0.000 2.442 608 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.219 608 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.219 608 G C 1.077 176.073 174.900 0.160 0.000 1.141 608 G CA 1.376 46.552 45.100 0.126 0.000 0.763 608 G HN 0.496 nan 8.290 nan 0.000 0.554 609 D N -0.384 120.081 120.400 0.109 0.000 2.178 609 D HA -0.069 4.570 4.640 -0.002 0.000 0.201 609 D C 2.291 178.703 176.300 0.186 0.000 0.980 609 D CA 0.409 54.492 54.000 0.140 0.000 0.842 609 D CB -0.127 40.721 40.800 0.081 0.000 0.948 609 D HN 0.209 nan 8.370 nan 0.000 0.472 610 L N -0.314 120.973 121.223 0.108 0.000 2.109 610 L HA -0.039 4.300 4.340 -0.002 0.000 0.207 610 L C 2.027 178.964 176.870 0.112 0.000 1.086 610 L CA 1.287 56.182 54.840 0.092 0.000 0.760 610 L CB -0.345 41.716 42.059 0.003 0.000 0.910 610 L HN 0.161 nan 8.230 nan 0.000 0.437 611 C N -1.462 117.890 119.300 0.088 0.000 2.435 611 C HA -0.160 4.299 4.460 -0.002 0.000 0.279 611 C C 2.494 177.691 174.990 0.345 0.000 1.321 611 C CA 0.355 59.450 59.018 0.128 0.000 1.752 611 C CB -1.390 26.399 27.740 0.081 0.000 1.959 611 C HN 0.790 nan 8.230 nan 0.000 0.500 612 W N 1.659 123.065 121.300 0.176 0.000 2.407 612 W HA -0.073 4.586 4.660 -0.002 0.000 0.305 612 W C 2.396 179.021 176.519 0.175 0.000 1.196 612 W CA 1.510 58.960 57.345 0.176 0.000 1.311 612 W CB -0.448 29.086 29.460 0.123 0.000 1.135 612 W HN 0.317 nan 8.180 nan 0.000 0.514 613 A N 0.891 123.898 122.820 0.311 0.000 1.972 613 A HA -0.084 4.235 4.320 -0.002 0.000 0.219 613 A C 2.110 179.791 177.584 0.161 0.000 1.169 613 A CA 2.362 54.533 52.037 0.223 0.000 0.635 613 A CB -1.184 17.959 19.000 0.238 0.000 0.810 613 A HN 0.290 nan 8.150 nan 0.000 0.446 614 A N -0.487 122.440 122.820 0.178 0.000 1.933 614 A HA 0.133 4.453 4.320 -0.002 0.000 0.218 614 A C 2.361 180.076 177.584 0.217 0.000 1.175 614 A CA 1.835 53.981 52.037 0.181 0.000 0.628 614 A CB -1.235 17.864 19.000 0.165 0.000 0.814 614 A HN 0.693 nan 8.150 nan 0.000 0.444 615 G N -0.439 108.499 108.800 0.230 0.000 2.408 615 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.217 615 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.217 615 G C 1.317 176.216 174.900 -0.002 0.000 1.150 615 G CA 1.314 46.506 45.100 0.153 0.000 0.776 615 G HN 0.522 nan 8.290 nan 0.000 0.542 616 D N 0.052 120.413 120.400 -0.064 0.000 2.144 616 D HA -0.090 4.549 4.640 -0.002 0.000 0.200 616 D C 2.258 178.602 176.300 0.073 0.000 0.978 616 D CA 0.798 54.787 54.000 -0.018 0.000 0.833 616 D CB -0.217 40.599 40.800 0.027 0.000 0.961 616 D HN 0.410 nan 8.370 nan 0.000 0.470 617 Q N -0.571 119.286 119.800 0.094 0.000 2.444 617 Q HA 0.014 4.353 4.340 -0.002 0.000 0.206 617 Q C -0.219 175.829 176.000 0.080 0.000 0.948 617 Q CA 0.121 55.973 55.803 0.082 0.000 0.946 617 Q CB 0.157 28.957 28.738 0.104 0.000 1.027 617 Q HN 0.152 nan 8.270 nan 0.000 0.513 618 Q N -1.522 118.349 119.800 0.119 0.000 2.478 618 Q HA -0.200 4.139 4.340 -0.002 0.000 0.286 618 Q C -0.690 175.450 176.000 0.232 0.000 1.299 618 Q CA 0.892 56.797 55.803 0.170 0.000 0.826 618 Q CB -2.364 26.482 28.738 0.179 0.000 1.199 618 Q HN 0.474 nan 8.270 nan 0.000 0.451 619 A N 1.152 124.085 122.820 0.189 0.000 2.477 619 A HA 0.402 4.721 4.320 -0.002 0.000 0.246 619 A C 0.429 178.096 177.584 0.139 0.000 1.078 619 A CA 0.205 52.284 52.037 0.070 0.000 0.770 619 A CB 0.400 19.302 19.000 -0.162 0.000 1.011 619 A HN 0.314 nan 8.150 nan 0.000 0.494 620 R N 1.824 122.345 120.500 0.034 0.000 2.358 620 R HA 0.554 4.893 4.340 -0.002 0.000 0.309 620 R C 0.193 176.495 176.300 0.004 0.000 1.026 620 R CA 0.179 56.258 56.100 -0.035 0.000 0.909 620 R CB 1.779 31.823 30.300 -0.426 0.000 1.153 620 R HN 1.025 nan 8.270 nan 0.000 0.515 621 G N 1.571 110.403 108.800 0.055 0.000 2.561 621 G HA2 0.492 4.451 3.960 -0.002 0.000 0.310 621 G HA3 0.492 4.451 3.960 -0.002 0.000 0.310 621 G C -1.797 173.233 174.900 0.218 0.000 1.292 621 G CA -0.564 44.576 45.100 0.067 0.000 0.811 621 G HN 0.214 nan 8.290 nan 0.000 0.482 622 F N 0.134 120.328 119.950 0.406 0.000 2.493 622 F HA 0.636 5.163 4.527 -0.001 0.000 0.329 622 F C 0.112 176.164 175.800 0.421 0.000 1.126 622 F CA -0.639 57.589 58.000 0.380 0.000 0.937 622 F CB 2.258 41.297 39.000 0.065 0.000 1.146 622 F HN 0.103 nan 8.300 nan 0.000 0.442 623 L N 5.178 126.673 121.223 0.452 0.000 2.287 623 L HA 0.494 4.833 4.340 -0.002 0.000 0.287 623 L C -0.846 176.160 176.870 0.225 0.000 1.022 623 L CA -0.659 54.293 54.840 0.186 0.000 0.814 623 L CB 1.211 43.308 42.059 0.063 0.000 1.217 623 L HN 0.417 nan 8.230 nan 0.000 0.420 624 I N 3.361 123.899 120.570 -0.055 0.000 2.359 624 I HA 0.234 4.404 4.170 -0.002 0.000 0.284 624 I C 0.854 176.532 176.117 -0.732 0.000 1.018 624 I CA -0.306 60.756 61.300 -0.396 0.000 1.173 624 I CB 1.171 38.740 38.000 -0.718 0.000 1.326 624 I HN 0.579 nan 8.210 nan 0.000 0.462 625 G N 5.567 114.020 108.800 -0.579 0.000 2.621 625 G HA2 0.430 4.389 3.960 -0.002 0.000 0.306 625 G HA3 0.430 4.389 3.960 -0.002 0.000 0.306 625 G C 0.579 175.159 174.900 -0.533 0.000 0.893 625 G CA -0.293 44.423 45.100 -0.640 0.000 1.486 625 G HN 0.727 nan 8.290 nan 0.000 0.477 626 G N 1.368 109.758 108.800 -0.683 0.000 2.599 626 G HA2 0.462 4.421 3.960 -0.002 0.000 0.264 626 G HA3 0.462 4.421 3.960 -0.002 0.000 0.264 626 G C 0.962 175.791 174.900 -0.118 0.000 1.200 626 G CA 0.474 45.351 45.100 -0.372 0.000 0.896 626 G HN 1.614 nan 8.290 nan 0.000 0.536 627 T N -2.502 112.057 114.554 0.009 0.000 3.708 627 T HA -0.221 4.128 4.350 -0.002 0.000 0.375 627 T C 0.612 175.299 174.700 -0.022 0.000 0.763 627 T CA 0.864 62.956 62.100 -0.013 0.000 1.915 627 T CB -2.653 66.171 68.868 -0.072 0.000 1.783 627 T HN 1.765 nan 8.240 nan 0.000 0.734 628 S N -0.306 115.372 115.700 -0.036 0.000 2.707 628 S HA 0.787 5.256 4.470 -0.002 0.000 0.276 628 S C 0.829 175.380 174.600 -0.083 0.000 1.179 628 S CA -0.107 58.073 58.200 -0.034 0.000 0.992 628 S CB 1.509 64.733 63.200 0.041 0.000 1.030 628 S HN 2.433 nan 8.310 nan 0.000 0.554 629 G N 0.483 109.126 108.800 -0.261 0.000 3.039 629 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.686 629 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.686 629 G C -0.039 174.646 174.900 -0.358 0.000 1.066 629 G CA -0.037 44.785 45.100 -0.463 0.000 0.774 629 G HN 0.869 nan 8.290 nan 0.000 0.591 630 R N 0.679 120.893 120.500 -0.476 0.000 2.083 630 R HA -0.079 4.260 4.340 -0.002 0.000 0.237 630 R C 2.997 179.151 176.300 -0.243 0.000 1.137 630 R CA 3.272 59.129 56.100 -0.406 0.000 0.951 630 R CB -0.413 29.458 30.300 -0.715 0.000 0.851 630 R HN 1.110 nan 8.270 nan 0.000 0.434 631 T N -4.053 110.382 114.554 -0.199 0.000 3.081 631 T HA 0.066 4.415 4.350 -0.002 0.000 0.255 631 T C 1.488 176.194 174.700 0.009 0.000 1.113 631 T CA 0.986 63.072 62.100 -0.023 0.000 1.082 631 T CB 0.074 68.947 68.868 0.008 0.000 0.939 631 T HN 0.146 nan 8.240 nan 0.000 0.506 632 T N 1.924 116.466 114.554 -0.020 0.000 2.937 632 T HA 0.210 4.559 4.350 -0.002 0.000 0.260 632 T C 0.772 175.490 174.700 0.031 0.000 1.051 632 T CA 0.232 62.346 62.100 0.024 0.000 1.141 632 T CB -0.237 68.648 68.868 0.029 0.000 0.879 632 T HN 0.257 nan 8.240 nan 0.000 0.459 633 L N 4.510 125.745 121.223 0.021 0.000 2.648 633 L HA 0.299 4.638 4.340 -0.002 0.000 0.238 633 L C 1.464 178.364 176.870 0.049 0.000 1.316 633 L CA -0.509 54.357 54.840 0.043 0.000 1.241 633 L CB -0.759 41.343 42.059 0.072 0.000 1.499 633 L HN 0.136 nan 8.230 nan 0.000 0.411 634 N N 0.069 118.798 118.700 0.049 0.000 2.094 634 N HA -0.197 4.542 4.740 -0.002 0.000 0.191 634 N C 1.369 176.908 175.510 0.048 0.000 1.023 634 N CA 1.557 54.643 53.050 0.060 0.000 0.857 634 N CB -0.421 38.103 38.487 0.063 0.000 1.013 634 N HN 0.502 nan 8.380 nan 0.000 0.426 635 G N 0.257 109.073 108.800 0.026 0.000 2.623 635 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.214 635 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.214 635 G C 1.424 176.311 174.900 -0.022 0.000 1.138 635 G CA -0.027 45.076 45.100 0.006 0.000 0.794 635 G HN 0.222 nan 8.290 nan 0.000 0.535 636 E N 0.486 120.661 120.200 -0.042 0.000 2.208 636 E HA 0.162 4.511 4.350 -0.002 0.000 0.193 636 E C 1.755 178.332 176.600 -0.038 0.000 0.988 636 E CA 0.766 57.075 56.400 -0.152 0.000 0.828 636 E CB -0.075 29.446 29.700 -0.300 0.000 0.763 636 E HN 0.432 nan 8.360 nan 0.000 0.478 637 G N 0.795 109.632 108.800 0.063 0.000 2.587 637 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.212 637 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.212 637 G C 0.575 175.589 174.900 0.190 0.000 1.327 637 G CA -0.087 45.083 45.100 0.117 0.000 0.898 637 G HN 0.278 nan 8.290 nan 0.000 0.551 638 L N -0.064 121.271 121.223 0.187 0.000 2.013 638 L HA -0.104 4.235 4.340 -0.002 0.000 0.212 638 L C 2.658 179.681 176.870 0.254 0.000 1.073 638 L CA 2.847 57.823 54.840 0.226 0.000 0.753 638 L CB -0.238 41.898 42.059 0.128 0.000 0.890 638 L HN 0.709 nan 8.230 nan 0.000 0.432 639 Q N -2.053 117.896 119.800 0.248 0.000 2.365 639 Q HA -0.048 4.291 4.340 -0.002 0.000 0.203 639 Q C 0.828 176.876 176.000 0.080 0.000 0.929 639 Q CA 0.173 56.103 55.803 0.213 0.000 0.948 639 Q CB 0.324 29.179 28.738 0.194 0.000 1.043 639 Q HN 0.648 nan 8.270 nan 0.000 0.505 640 H N -0.472 118.638 119.070 0.066 0.000 2.926 640 H HA 0.156 4.711 4.556 -0.002 0.000 0.249 640 H C -0.209 175.082 175.328 -0.061 0.000 0.963 640 H CA -0.104 55.905 56.048 -0.066 0.000 1.158 640 H CB 0.792 30.565 29.762 0.018 0.000 1.445 640 H HN 0.080 nan 8.280 nan 0.000 0.452 641 E N 2.163 122.444 120.200 0.135 0.000 2.159 641 E HA 0.045 4.394 4.350 -0.002 0.000 0.272 641 E C -0.723 175.863 176.600 -0.023 0.000 1.138 641 E CA -0.166 56.260 56.400 0.044 0.000 0.915 641 E CB 0.631 30.366 29.700 0.059 0.000 1.028 641 E HN 0.248 nan 8.360 nan 0.000 0.423 642 D N 2.505 122.839 120.400 -0.112 0.000 2.380 642 D HA 0.187 4.826 4.640 -0.002 0.000 0.230 642 D C 0.450 176.568 176.300 -0.303 0.000 1.154 642 D CA -0.514 53.364 54.000 -0.203 0.000 0.859 642 D CB 0.785 41.465 40.800 -0.200 0.000 1.045 642 D HN 0.465 nan 8.370 nan 0.000 0.495 643 G N 2.904 111.588 108.800 -0.192 0.000 3.651 643 G HA2 0.016 3.975 3.960 -0.002 0.000 0.279 643 G HA3 0.016 3.975 3.960 -0.002 0.000 0.279 643 G C 0.516 175.485 174.900 0.115 0.000 1.024 643 G CA -0.348 44.579 45.100 -0.290 0.000 0.813 643 G HN 0.708 nan 8.290 nan 0.000 0.518 644 H N -1.768 117.353 119.070 0.085 0.000 3.650 644 H HA 0.078 4.633 4.556 -0.001 0.000 0.260 644 H C 1.674 177.029 175.328 0.045 0.000 1.194 644 H CA 0.686 56.784 56.048 0.082 0.000 1.135 644 H CB -0.457 29.300 29.762 -0.008 0.000 1.612 644 H HN 0.217 nan 8.280 nan 0.000 0.703 645 S N 0.705 116.291 115.700 -0.189 0.000 2.400 645 S HA -0.215 4.254 4.470 -0.002 0.000 0.232 645 S C 1.583 176.001 174.600 -0.304 0.000 1.025 645 S CA 1.199 59.288 58.200 -0.185 0.000 0.993 645 S CB -0.790 62.392 63.200 -0.030 0.000 0.808 645 S HN 0.463 nan 8.310 nan 0.000 0.478 646 H N 0.877 119.786 119.070 -0.268 0.000 2.495 646 H HA 0.151 4.706 4.556 -0.002 0.000 0.287 646 H C 1.826 176.995 175.328 -0.265 0.000 1.033 646 H CA 1.134 56.941 56.048 -0.402 0.000 1.307 646 H CB -0.038 29.086 29.762 -1.064 0.000 1.401 646 H HN 0.392 nan 8.280 nan 0.000 0.555 647 I N 0.634 121.164 120.570 -0.068 0.000 2.500 647 I HA -0.165 4.004 4.170 -0.002 0.000 0.252 647 I C 2.071 178.145 176.117 -0.072 0.000 1.142 647 I CA 0.930 62.229 61.300 -0.001 0.000 1.451 647 I CB -0.749 37.285 38.000 0.057 0.000 1.093 647 I HN 0.248 nan 8.210 nan 0.000 0.430 648 Q N 0.519 120.224 119.800 -0.160 0.000 2.096 648 Q HA -0.112 4.227 4.340 -0.002 0.000 0.197 648 Q C 2.374 178.091 176.000 -0.472 0.000 0.964 648 Q CA 1.856 57.529 55.803 -0.217 0.000 0.838 648 Q CB -0.130 28.523 28.738 -0.143 0.000 0.906 648 Q HN 0.562 nan 8.270 nan 0.000 0.444 649 S N 1.406 116.586 115.700 -0.867 0.000 2.402 649 S HA -0.135 4.334 4.470 -0.002 0.000 0.229 649 S C 1.988 176.373 174.600 -0.359 0.000 1.021 649 S CA 1.112 58.685 58.200 -1.044 0.000 0.974 649 S CB -0.496 62.022 63.200 -1.136 0.000 0.800 649 S HN 0.420 nan 8.310 nan 0.000 0.484 650 L N 2.097 123.212 121.223 -0.179 0.000 2.456 650 L HA 0.160 4.499 4.340 -0.002 0.000 0.224 650 L C 2.149 179.006 176.870 -0.023 0.000 1.148 650 L CA 1.600 56.405 54.840 -0.059 0.000 0.825 650 L CB -2.096 39.974 42.059 0.019 0.000 0.937 650 L HN 0.482 nan 8.230 nan 0.000 0.450 651 T N -2.531 112.019 114.554 -0.007 0.000 3.055 651 T HA 0.177 4.526 4.350 -0.002 0.000 0.265 651 T C 0.894 175.733 174.700 0.233 0.000 1.111 651 T CA 0.244 62.407 62.100 0.104 0.000 1.118 651 T CB -0.671 68.262 68.868 0.108 0.000 0.909 651 T HN 0.333 nan 8.240 nan 0.000 0.501 652 I N 2.884 123.530 120.570 0.127 0.000 2.291 652 I HA 0.244 4.413 4.170 -0.002 0.000 0.292 652 I C -1.568 174.497 176.117 -0.086 0.000 1.064 652 I CA -2.556 58.785 61.300 0.068 0.000 1.269 652 I CB 1.592 39.641 38.000 0.083 0.000 1.418 652 I HN -0.043 nan 8.210 nan 0.000 0.485 653 P HA -0.216 nan 4.420 nan 0.000 0.217 653 P C 0.580 177.788 177.300 -0.154 0.000 1.162 653 P CA 1.538 64.570 63.100 -0.113 0.000 0.901 653 P CB -0.042 31.587 31.700 -0.120 0.000 0.793 654 N N -1.914 116.666 118.700 -0.199 0.000 2.295 654 N HA 0.027 4.766 4.740 -0.002 0.000 0.221 654 N C -0.676 174.600 175.510 -0.390 0.000 1.129 654 N CA -0.316 52.609 53.050 -0.208 0.000 0.836 654 N CB -1.161 37.255 38.487 -0.118 0.000 1.040 654 N HN 0.098 nan 8.380 nan 0.000 0.494 655 C N 1.572 120.584 119.300 -0.481 0.000 2.295 655 C HA 0.574 5.033 4.460 -0.002 0.000 0.331 655 C C -0.495 174.281 174.990 -0.356 0.000 1.280 655 C CA -1.004 57.601 59.018 -0.688 0.000 1.746 655 C CB -0.767 26.604 27.740 -0.615 0.000 2.328 655 C HN 0.317 nan 8.230 nan 0.000 0.521 656 I N 6.279 126.637 120.570 -0.353 0.000 2.312 656 I HA 0.328 4.497 4.170 -0.002 0.000 0.290 656 I C 0.521 176.448 176.117 -0.317 0.000 1.008 656 I CA 0.322 61.367 61.300 -0.426 0.000 1.226 656 I CB 0.957 38.517 38.000 -0.734 0.000 1.371 656 I HN 0.679 nan 8.210 nan 0.000 0.468 657 S N 6.443 121.994 115.700 -0.249 0.000 2.509 657 S HA 0.742 5.211 4.470 -0.002 0.000 0.297 657 S C -0.965 173.495 174.600 -0.234 0.000 1.118 657 S CA -0.423 57.770 58.200 -0.011 0.000 1.074 657 S CB 1.429 64.783 63.200 0.257 0.000 1.038 657 S HN 0.367 nan 8.310 nan 0.000 0.498 658 Y N 0.487 120.864 120.300 0.128 0.000 2.524 658 Y HA 0.419 4.968 4.550 -0.001 0.000 0.347 658 Y C -0.451 175.486 175.900 0.062 0.000 1.005 658 Y CA -0.968 57.172 58.100 0.066 0.000 1.025 658 Y CB 1.830 40.335 38.460 0.075 0.000 1.275 658 Y HN 0.583 nan 8.280 nan 0.000 0.460 659 D N 3.667 124.165 120.400 0.164 0.000 2.513 659 D HA 0.273 4.912 4.640 -0.002 0.000 0.295 659 D C -2.938 173.442 176.300 0.133 0.000 1.202 659 D CA -2.105 51.967 54.000 0.120 0.000 0.849 659 D CB 0.937 41.732 40.800 -0.008 0.000 1.116 659 D HN 0.048 nan 8.370 nan 0.000 0.502 660 P HA 0.184 nan 4.420 nan 0.000 0.275 660 P C 0.098 177.404 177.300 0.010 0.000 1.228 660 P CA -0.229 62.911 63.100 0.066 0.000 0.786 660 P CB 2.067 33.800 31.700 0.054 0.000 0.927 661 A N 2.460 125.210 122.820 -0.117 0.000 2.014 661 A HA 0.148 4.468 4.320 -0.002 0.000 0.210 661 A C 0.272 177.693 177.584 -0.272 0.000 1.188 661 A CA 0.919 52.801 52.037 -0.258 0.000 0.731 661 A CB -0.398 18.247 19.000 -0.592 0.000 0.858 661 A HN 0.530 nan 8.150 nan 0.000 0.464 662 Y N -2.403 117.865 120.300 -0.054 0.000 2.549 662 Y HA 0.606 5.155 4.550 -0.002 0.000 0.339 662 Y C 1.430 177.186 175.900 -0.239 0.000 1.053 662 Y CA -1.147 56.836 58.100 -0.196 0.000 1.105 662 Y CB 1.280 39.389 38.460 -0.584 0.000 1.258 662 Y HN 0.060 nan 8.280 nan 0.000 0.478 663 A N 1.357 124.205 122.820 0.046 0.000 1.908 663 A HA -0.251 4.068 4.320 -0.002 0.000 0.218 663 A C 1.785 179.390 177.584 0.034 0.000 1.181 663 A CA 2.301 54.355 52.037 0.028 0.000 0.627 663 A CB -1.335 17.692 19.000 0.046 0.000 0.818 663 A HN 0.904 nan 8.150 nan 0.000 0.445 664 Y N -0.297 120.066 120.300 0.106 0.000 2.314 664 Y HA 0.040 4.589 4.550 -0.002 0.000 0.293 664 Y C 1.774 177.695 175.900 0.034 0.000 1.129 664 Y CA 1.004 59.132 58.100 0.047 0.000 1.201 664 Y CB -0.842 37.629 38.460 0.018 0.000 0.999 664 Y HN 0.414 nan 8.280 nan 0.000 0.541 665 E N 0.838 120.957 120.200 -0.134 0.000 2.072 665 E HA -0.119 4.230 4.350 -0.002 0.000 0.191 665 E C 2.295 178.886 176.600 -0.016 0.000 0.985 665 E CA 1.431 57.829 56.400 -0.003 0.000 0.801 665 E CB -0.265 29.414 29.700 -0.034 0.000 0.750 665 E HN 0.377 nan 8.360 nan 0.000 0.452 666 V N 1.784 121.685 119.914 -0.021 0.000 2.287 666 V HA -0.327 3.792 4.120 -0.002 0.000 0.248 666 V C 2.413 178.475 176.094 -0.054 0.000 1.053 666 V CA 2.005 64.302 62.300 -0.005 0.000 1.027 666 V CB -0.845 31.000 31.823 0.036 0.000 0.646 666 V HN 0.338 nan 8.190 nan 0.000 0.447 667 A N -0.266 122.515 122.820 -0.066 0.000 1.865 667 A HA -0.199 4.120 4.320 -0.002 0.000 0.217 667 A C 2.403 179.796 177.584 -0.318 0.000 1.191 667 A CA 2.356 54.257 52.037 -0.227 0.000 0.623 667 A CB -0.862 18.098 19.000 -0.068 0.000 0.826 667 A HN 0.334 nan 8.150 nan 0.000 0.444 668 V N 0.158 119.996 119.914 -0.127 0.000 2.332 668 V HA -0.285 3.834 4.120 -0.002 0.000 0.248 668 V C 2.439 178.494 176.094 -0.065 0.000 1.055 668 V CA 2.133 64.385 62.300 -0.081 0.000 1.038 668 V CB -0.698 31.117 31.823 -0.014 0.000 0.651 668 V HN 0.572 nan 8.190 nan 0.000 0.450 669 I N -0.960 119.543 120.570 -0.112 0.000 2.202 669 I HA -0.292 3.877 4.170 -0.002 0.000 0.242 669 I C 2.497 178.611 176.117 -0.006 0.000 1.091 669 I CA 1.804 63.010 61.300 -0.157 0.000 1.368 669 I CB -0.303 37.486 38.000 -0.352 0.000 1.058 669 I HN 0.258 nan 8.210 nan 0.000 0.410 670 M N -0.536 119.048 119.600 -0.026 0.000 2.159 670 M HA -0.233 4.246 4.480 -0.002 0.000 0.263 670 M C 2.493 178.776 176.300 -0.028 0.000 1.063 670 M CA 1.564 56.874 55.300 0.016 0.000 1.110 670 M CB -0.702 31.824 32.600 -0.123 0.000 1.374 670 M HN 0.355 nan 8.290 nan 0.000 0.411 671 H N -0.078 118.815 119.070 -0.295 0.000 2.321 671 H HA -0.191 4.363 4.556 -0.002 0.000 0.300 671 H C 1.470 176.790 175.328 -0.013 0.000 1.087 671 H CA 2.280 58.218 56.048 -0.184 0.000 1.319 671 H CB -0.161 29.432 29.762 -0.281 0.000 1.379 671 H HN 0.327 nan 8.280 nan 0.000 0.501 672 D N -0.339 120.041 120.400 -0.034 0.000 2.123 672 D HA -0.087 4.552 4.640 -0.002 0.000 0.196 672 D C 2.426 178.670 176.300 -0.093 0.000 0.992 672 D CA 1.556 55.536 54.000 -0.033 0.000 0.833 672 D CB -0.687 40.171 40.800 0.097 0.000 0.954 672 D HN 0.539 nan 8.370 nan 0.000 0.455 673 G N 0.319 108.993 108.800 -0.210 0.000 2.421 673 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.216 673 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.216 673 G C 1.766 176.509 174.900 -0.261 0.000 1.171 673 G CA 0.635 45.287 45.100 -0.748 0.000 0.775 673 G HN 0.328 nan 8.290 nan 0.000 0.543 674 L N 0.034 121.296 121.223 0.065 0.000 1.989 674 L HA -0.103 4.236 4.340 -0.002 0.000 0.211 674 L C 2.821 179.731 176.870 0.067 0.000 1.071 674 L CA 1.806 56.758 54.840 0.186 0.000 0.749 674 L CB -0.486 41.696 42.059 0.204 0.000 0.890 674 L HN 0.386 nan 8.230 nan 0.000 0.431 675 E N 0.299 120.445 120.200 -0.089 0.000 2.058 675 E HA -0.265 4.084 4.350 -0.002 0.000 0.194 675 E C 2.346 178.927 176.600 -0.032 0.000 0.997 675 E CA 1.427 57.776 56.400 -0.086 0.000 0.801 675 E CB 0.071 29.644 29.700 -0.211 0.000 0.746 675 E HN 0.353 nan 8.360 nan 0.000 0.450 676 R N -0.489 119.982 120.500 -0.048 0.000 2.073 676 R HA -0.084 4.255 4.340 -0.002 0.000 0.234 676 R C 2.518 178.771 176.300 -0.078 0.000 1.134 676 R CA 1.920 58.001 56.100 -0.032 0.000 0.952 676 R CB -0.173 30.142 30.300 0.026 0.000 0.850 676 R HN 0.319 nan 8.270 nan 0.000 0.433 677 M N -1.478 118.043 119.600 -0.132 0.000 2.248 677 M HA -0.051 4.428 4.480 -0.002 0.000 0.265 677 M C 0.775 176.787 176.300 -0.480 0.000 1.079 677 M CA 1.464 56.568 55.300 -0.328 0.000 1.150 677 M CB 0.263 32.620 32.600 -0.405 0.000 1.366 677 M HN 0.100 nan 8.290 nan 0.000 0.433 678 Y N -0.199 120.128 120.300 0.045 0.000 2.612 678 Y HA 0.395 4.944 4.550 -0.001 0.000 0.250 678 Y C 1.210 177.256 175.900 0.243 0.000 1.175 678 Y CA -0.689 57.519 58.100 0.179 0.000 1.205 678 Y CB 0.012 38.494 38.460 0.037 0.000 1.201 678 Y HN 0.038 nan 8.280 nan 0.000 0.532 679 G N -0.232 108.680 108.800 0.186 0.000 2.583 679 G HA2 0.142 4.101 3.960 -0.002 0.000 0.280 679 G HA3 0.142 4.101 3.960 -0.002 0.000 0.280 679 G C 0.610 175.543 174.900 0.054 0.000 1.376 679 G CA -0.387 44.788 45.100 0.125 0.000 1.043 679 G HN 0.243 nan 8.290 nan 0.000 0.538 680 E N -0.576 119.635 120.200 0.017 0.000 2.118 680 E HA -0.177 4.172 4.350 -0.002 0.000 0.195 680 E C 2.177 178.731 176.600 -0.078 0.000 0.992 680 E CA 1.114 57.490 56.400 -0.039 0.000 0.804 680 E CB 0.019 29.708 29.700 -0.018 0.000 0.741 680 E HN 0.495 nan 8.360 nan 0.000 0.458 681 K N 0.842 121.209 120.400 -0.056 0.000 2.103 681 K HA -0.188 4.131 4.320 -0.002 0.000 0.207 681 K C 0.338 176.874 176.600 -0.107 0.000 1.048 681 K CA 0.954 57.201 56.287 -0.067 0.000 0.930 681 K CB 0.089 32.562 32.500 -0.045 0.000 0.716 681 K HN 0.053 nan 8.250 nan 0.000 0.444 682 Q N 1.064 120.782 119.800 -0.137 0.000 2.439 682 Q HA -0.206 4.133 4.340 -0.002 0.000 0.325 682 Q C -0.878 175.017 176.000 -0.176 0.000 1.372 682 Q CA 0.659 56.338 55.803 -0.207 0.000 0.909 682 Q CB -1.376 27.180 28.738 -0.303 0.000 1.167 682 Q HN 0.456 nan 8.270 nan 0.000 0.418 683 E N 0.847 120.962 120.200 -0.141 0.000 2.338 683 E HA 0.068 4.417 4.350 -0.002 0.000 0.272 683 E C -0.089 176.442 176.600 -0.115 0.000 1.029 683 E CA -0.372 55.971 56.400 -0.096 0.000 0.872 683 E CB 0.620 30.291 29.700 -0.049 0.000 1.015 683 E HN 0.168 nan 8.360 nan 0.000 0.417 684 N N 4.556 123.216 118.700 -0.067 0.000 2.968 684 N HA 0.122 4.861 4.740 -0.002 0.000 0.271 684 N C -0.836 174.676 175.510 0.004 0.000 1.174 684 N CA 0.083 53.114 53.050 -0.032 0.000 1.096 684 N CB 0.500 38.997 38.487 0.017 0.000 1.403 684 N HN 0.328 nan 8.380 nan 0.000 0.522 685 V N -0.824 119.101 119.914 0.018 0.000 3.206 685 V HA 0.742 4.861 4.120 -0.002 0.000 0.305 685 V C -1.260 174.946 176.094 0.186 0.000 1.257 685 V CA -1.145 61.182 62.300 0.046 0.000 1.057 685 V CB 1.887 33.719 31.823 0.015 0.000 1.075 685 V HN 0.309 nan 8.190 nan 0.000 0.443 686 Y N -0.358 120.037 120.300 0.158 0.000 2.576 686 Y HA 0.881 5.430 4.550 -0.002 0.000 0.346 686 Y C -1.673 174.416 175.900 0.314 0.000 1.018 686 Y CA -1.730 56.515 58.100 0.241 0.000 1.050 686 Y CB 1.516 40.207 38.460 0.386 0.000 1.280 686 Y HN 0.646 nan 8.280 nan 0.000 0.474 687 Y N 1.890 122.311 120.300 0.202 0.000 2.342 687 Y HA 0.418 4.967 4.550 -0.001 0.000 0.334 687 Y C -1.032 175.136 175.900 0.447 0.000 1.067 687 Y CA -1.340 56.879 58.100 0.198 0.000 1.128 687 Y CB 1.373 39.814 38.460 -0.032 0.000 1.200 687 Y HN 0.693 nan 8.280 nan 0.000 0.464 688 Y N 4.695 125.198 120.300 0.338 0.000 2.326 688 Y HA 0.668 5.217 4.550 -0.002 0.000 0.331 688 Y C -1.401 174.673 175.900 0.290 0.000 0.962 688 Y CA -1.864 56.425 58.100 0.313 0.000 1.167 688 Y CB 0.487 39.119 38.460 0.287 0.000 1.148 688 Y HN 0.493 nan 8.280 nan 0.000 0.463 689 I N 6.089 126.545 120.570 -0.190 0.000 2.466 689 I HA 0.325 4.494 4.170 -0.002 0.000 0.289 689 I C -0.422 175.412 176.117 -0.471 0.000 1.026 689 I CA -0.910 60.287 61.300 -0.173 0.000 1.078 689 I CB 2.319 40.389 38.000 0.117 0.000 1.249 689 I HN 0.617 nan 8.210 nan 0.000 0.429 690 T N 1.330 115.645 114.554 -0.398 0.000 2.845 690 T HA 0.613 4.962 4.350 -0.002 0.000 0.288 690 T C 0.061 174.682 174.700 -0.130 0.000 0.980 690 T CA -0.635 61.280 62.100 -0.308 0.000 1.071 690 T CB 1.369 70.171 68.868 -0.110 0.000 0.941 690 T HN 0.683 nan 8.240 nan 0.000 0.487 691 T N 0.789 115.248 114.554 -0.158 0.000 2.924 691 T HA 0.737 5.086 4.350 -0.002 0.000 0.291 691 T C -0.460 174.217 174.700 -0.039 0.000 1.045 691 T CA -1.099 60.948 62.100 -0.088 0.000 1.015 691 T CB 1.010 69.796 68.868 -0.137 0.000 1.103 691 T HN 0.584 nan 8.240 nan 0.000 0.496 692 L N 2.164 123.387 121.223 0.001 0.000 2.330 692 L HA 0.539 4.878 4.340 -0.002 0.000 0.271 692 L C 1.053 177.927 176.870 0.006 0.000 1.013 692 L CA -1.177 53.675 54.840 0.020 0.000 0.816 692 L CB 1.411 43.511 42.059 0.068 0.000 1.287 692 L HN 0.874 nan 8.230 nan 0.000 0.435 693 N N -0.060 118.647 118.700 0.012 0.000 2.230 693 N HA -0.017 4.722 4.740 -0.002 0.000 0.202 693 N C -0.076 175.432 175.510 -0.004 0.000 1.119 693 N CA -0.120 52.928 53.050 -0.003 0.000 0.851 693 N CB 0.423 38.898 38.487 -0.020 0.000 0.990 693 N HN 0.721 nan 8.380 nan 0.000 0.497 694 E N 0.902 121.109 120.200 0.012 0.000 2.156 694 E HA 0.191 4.540 4.350 -0.002 0.000 0.279 694 E C -0.946 175.601 176.600 -0.088 0.000 0.965 694 E CA -0.654 55.771 56.400 0.042 0.000 0.789 694 E CB 0.623 30.425 29.700 0.170 0.000 1.098 694 E HN 0.090 nan 8.360 nan 0.000 0.397 695 N N 3.388 122.053 118.700 -0.057 0.000 2.518 695 N HA 0.274 5.013 4.740 -0.002 0.000 0.283 695 N C -1.065 174.437 175.510 -0.012 0.000 1.119 695 N CA 0.032 52.995 53.050 -0.143 0.000 0.983 695 N CB 0.848 39.306 38.487 -0.049 0.000 1.139 695 N HN 0.426 nan 8.380 nan 0.000 0.465 696 Y N -2.617 117.728 120.300 0.075 0.000 2.750 696 Y HA 0.298 4.848 4.550 -0.001 0.000 0.335 696 Y C -0.343 175.633 175.900 0.126 0.000 1.252 696 Y CA -1.231 56.930 58.100 0.102 0.000 1.064 696 Y CB 0.487 39.007 38.460 0.101 0.000 1.321 696 Y HN 0.429 nan 8.280 nan 0.000 0.451 697 H N 3.393 122.668 119.070 0.342 0.000 2.964 697 H HA 0.225 4.780 4.556 -0.002 0.000 0.328 697 H C -0.931 174.567 175.328 0.284 0.000 1.030 697 H CA 0.499 56.681 56.048 0.223 0.000 1.445 697 H CB 0.753 30.601 29.762 0.143 0.000 1.449 697 H HN 0.588 nan 8.280 nan 0.000 0.581 698 M N 8.723 128.109 119.600 -0.356 0.000 2.047 698 M HA 0.244 4.723 4.480 -0.002 0.000 0.342 698 M C -2.373 173.700 176.300 -0.377 0.000 1.058 698 M CA -2.249 52.939 55.300 -0.187 0.000 0.991 698 M CB 1.164 33.725 32.600 -0.065 0.000 1.474 698 M HN 0.481 nan 8.290 nan 0.000 0.419 699 P HA 0.316 nan 4.420 nan 0.000 0.275 699 P C -0.614 176.695 177.300 0.016 0.000 1.266 699 P CA -0.416 62.647 63.100 -0.063 0.000 0.793 699 P CB 0.813 32.490 31.700 -0.039 0.000 1.074 700 A N 1.137 123.949 122.820 -0.014 0.000 2.322 700 A HA 0.413 4.732 4.320 -0.002 0.000 0.269 700 A C 0.565 177.923 177.584 -0.375 0.000 1.094 700 A CA -0.709 51.271 52.037 -0.095 0.000 0.807 700 A CB -0.178 18.772 19.000 -0.083 0.000 1.047 700 A HN 0.688 nan 8.150 nan 0.000 0.487 701 M N 2.363 121.524 119.600 -0.732 0.000 2.219 701 M HA 0.271 4.750 4.480 -0.002 0.000 0.353 701 M C -2.235 173.731 176.300 -0.557 0.000 1.304 701 M CA -1.353 53.166 55.300 -1.301 0.000 1.115 701 M CB 0.313 32.268 32.600 -1.075 0.000 1.664 701 M HN 0.335 nan 8.290 nan 0.000 0.459 702 P HA 0.069 nan 4.420 nan 0.000 0.271 702 P C -1.253 175.951 177.300 -0.160 0.000 1.218 702 P CA -0.001 62.997 63.100 -0.170 0.000 0.780 702 P CB 0.401 32.082 31.700 -0.031 0.000 0.901 703 E N 1.253 121.394 120.200 -0.099 0.000 2.414 703 E HA 0.220 4.569 4.350 -0.002 0.000 0.263 703 E C 1.158 177.724 176.600 -0.057 0.000 1.000 703 E CA 0.673 57.027 56.400 -0.078 0.000 0.914 703 E CB -0.150 29.520 29.700 -0.049 0.000 0.948 703 E HN 0.783 nan 8.360 nan 0.000 0.444 704 G N 2.487 111.252 108.800 -0.058 0.000 2.155 704 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.257 704 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.257 704 G C 0.822 175.701 174.900 -0.035 0.000 0.983 704 G CA 0.375 45.456 45.100 -0.032 0.000 0.676 704 G HN 0.655 nan 8.290 nan 0.000 0.528 705 A N -0.454 122.307 122.820 -0.099 0.000 2.208 705 A HA 0.451 4.770 4.320 -0.002 0.000 0.209 705 A C 1.879 179.351 177.584 -0.186 0.000 1.161 705 A CA 1.650 53.584 52.037 -0.172 0.000 0.782 705 A CB -0.153 18.617 19.000 -0.383 0.000 0.816 705 A HN 0.509 nan 8.150 nan 0.000 0.477 706 E N 0.504 120.634 120.200 -0.117 0.000 2.035 706 E HA -0.263 4.086 4.350 -0.002 0.000 0.204 706 E C 1.850 178.434 176.600 -0.028 0.000 1.025 706 E CA 1.764 58.122 56.400 -0.071 0.000 0.835 706 E CB -0.321 29.352 29.700 -0.045 0.000 0.764 706 E HN 0.598 nan 8.360 nan 0.000 0.457 707 E N 0.071 120.268 120.200 -0.004 0.000 2.077 707 E HA -0.101 4.249 4.350 -0.002 0.000 0.193 707 E C 2.105 178.719 176.600 0.023 0.000 0.989 707 E CA 1.528 57.929 56.400 0.003 0.000 0.800 707 E CB -0.784 28.918 29.700 0.003 0.000 0.746 707 E HN 0.294 nan 8.360 nan 0.000 0.452 708 G N 0.504 109.370 108.800 0.109 0.000 2.422 708 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.218 708 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.218 708 G C 1.719 176.767 174.900 0.246 0.000 1.146 708 G CA 0.884 46.145 45.100 0.268 0.000 0.769 708 G HN 0.325 nan 8.290 nan 0.000 0.547 709 I N 0.181 120.813 120.570 0.103 0.000 2.226 709 I HA -0.181 3.988 4.170 -0.002 0.000 0.245 709 I C 3.058 179.283 176.117 0.181 0.000 1.100 709 I CA 1.100 62.482 61.300 0.137 0.000 1.374 709 I CB -0.186 37.803 38.000 -0.018 0.000 1.057 709 I HN 0.099 nan 8.210 nan 0.000 0.413 710 R N 0.605 121.173 120.500 0.114 0.000 2.075 710 R HA -0.110 4.229 4.340 -0.002 0.000 0.232 710 R C 2.260 178.668 176.300 0.180 0.000 1.126 710 R CA 0.921 57.114 56.100 0.155 0.000 0.963 710 R CB -0.192 30.159 30.300 0.085 0.000 0.858 710 R HN 0.176 nan 8.270 nan 0.000 0.435 711 K N -0.884 119.537 120.400 0.035 0.000 2.148 711 K HA 0.000 4.319 4.320 -0.002 0.000 0.204 711 K C 1.425 178.045 176.600 0.033 0.000 1.050 711 K CA 1.406 57.637 56.287 -0.094 0.000 0.942 711 K CB 0.141 32.345 32.500 -0.493 0.000 0.724 711 K HN 0.506 nan 8.250 nan 0.000 0.446 712 G N 0.711 109.602 108.800 0.152 0.000 2.260 712 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.179 712 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.179 712 G C 0.069 175.015 174.900 0.077 0.000 1.002 712 G CA -0.061 45.096 45.100 0.096 0.000 0.677 712 G HN 0.279 nan 8.290 nan 0.000 0.486 713 I N 0.357 121.059 120.570 0.219 0.000 2.743 713 I HA 0.640 4.809 4.170 -0.002 0.000 0.292 713 I C -1.627 174.717 176.117 0.377 0.000 1.343 713 I CA -1.478 59.927 61.300 0.174 0.000 1.038 713 I CB 1.733 39.722 38.000 -0.019 0.000 1.311 713 I HN 0.452 nan 8.210 nan 0.000 0.426 714 Y N 4.367 124.791 120.300 0.207 0.000 2.552 714 Y HA 0.486 5.035 4.550 -0.002 0.000 0.337 714 Y C -1.422 174.624 175.900 0.244 0.000 1.094 714 Y CA -1.367 56.868 58.100 0.225 0.000 1.028 714 Y CB 0.846 39.420 38.460 0.191 0.000 1.321 714 Y HN 0.516 nan 8.280 nan 0.000 0.456 715 K N 3.381 123.889 120.400 0.181 0.000 2.349 715 K HA 0.305 4.624 4.320 -0.002 0.000 0.288 715 K C -0.081 176.476 176.600 -0.071 0.000 1.058 715 K CA -0.207 55.988 56.287 -0.154 0.000 0.953 715 K CB 0.607 32.980 32.500 -0.211 0.000 0.997 715 K HN 1.029 nan 8.250 nan 0.000 0.477 716 L N 3.158 124.270 121.223 -0.184 0.000 2.068 716 L HA -0.048 4.291 4.340 -0.002 0.000 0.204 716 L C 0.610 177.476 176.870 -0.007 0.000 1.076 716 L CA 1.132 55.967 54.840 -0.007 0.000 0.753 716 L CB -0.011 42.047 42.059 -0.002 0.000 0.910 716 L HN 0.800 nan 8.230 nan 0.000 0.439 717 E N -2.482 117.661 120.200 -0.095 0.000 2.422 717 E HA 0.236 4.585 4.350 -0.002 0.000 0.280 717 E C -1.318 175.212 176.600 -0.117 0.000 1.091 717 E CA -0.799 55.558 56.400 -0.071 0.000 0.849 717 E CB 1.342 31.027 29.700 -0.025 0.000 1.353 717 E HN -0.308 nan 8.360 nan 0.000 0.449 718 T N 1.925 116.434 114.554 -0.076 0.000 2.864 718 T HA 0.365 4.714 4.350 -0.002 0.000 0.310 718 T C -0.378 174.301 174.700 -0.034 0.000 1.040 718 T CA -0.610 61.448 62.100 -0.070 0.000 0.977 718 T CB 0.168 69.002 68.868 -0.057 0.000 0.976 718 T HN 0.302 nan 8.240 nan 0.000 0.459 719 I N 3.083 123.639 120.570 -0.025 0.000 2.352 719 I HA 0.304 4.473 4.170 -0.002 0.000 0.290 719 I C 0.771 176.891 176.117 0.005 0.000 1.036 719 I CA -0.773 60.525 61.300 -0.004 0.000 1.336 719 I CB 0.795 38.798 38.000 0.006 0.000 1.407 719 I HN 0.559 nan 8.210 nan 0.000 0.497 720 E N 4.361 124.565 120.200 0.007 0.000 2.404 720 E HA 0.559 4.908 4.350 -0.002 0.000 0.261 720 E C -0.069 176.544 176.600 0.021 0.000 1.074 720 E CA -0.026 56.381 56.400 0.012 0.000 0.917 720 E CB 1.003 30.709 29.700 0.010 0.000 0.965 720 E HN 0.814 nan 8.360 nan 0.000 0.433 721 G N 0.883 109.697 108.800 0.024 0.000 2.717 721 G HA2 0.308 4.267 3.960 -0.002 0.000 0.300 721 G HA3 0.308 4.267 3.960 -0.002 0.000 0.300 721 G C -0.039 174.879 174.900 0.030 0.000 1.424 721 G CA -0.019 45.100 45.100 0.032 0.000 1.033 721 G HN 0.497 nan 8.290 nan 0.000 0.577 722 S N 0.584 116.301 115.700 0.029 0.000 2.503 722 S HA 0.102 4.571 4.470 -0.002 0.000 0.217 722 S C 1.286 175.904 174.600 0.030 0.000 0.999 722 S CA 0.145 58.361 58.200 0.026 0.000 0.914 722 S CB 0.154 63.366 63.200 0.020 0.000 0.782 722 S HN 0.465 nan 8.310 nan 0.000 0.520 723 K N 1.578 122.002 120.400 0.040 0.000 2.437 723 K HA 0.432 4.751 4.320 -0.002 0.000 0.198 723 K C 0.562 177.190 176.600 0.047 0.000 1.024 723 K CA 0.185 56.499 56.287 0.045 0.000 1.148 723 K CB 0.449 32.985 32.500 0.060 0.000 0.860 723 K HN 0.515 nan 8.250 nan 0.000 0.515 724 G N 1.162 109.987 108.800 0.042 0.000 2.350 724 G HA2 0.051 4.010 3.960 -0.002 0.000 0.304 724 G HA3 0.051 4.010 3.960 -0.002 0.000 0.304 724 G C -2.051 172.872 174.900 0.038 0.000 1.421 724 G CA -0.949 44.174 45.100 0.038 0.000 0.934 724 G HN -0.004 nan 8.290 nan 0.000 0.632 725 K N -0.639 119.783 120.400 0.035 0.000 2.513 725 K HA 0.733 5.052 4.320 -0.002 0.000 0.251 725 K C -0.534 176.092 176.600 0.043 0.000 0.939 725 K CA -0.690 55.620 56.287 0.038 0.000 0.793 725 K CB 2.394 34.915 32.500 0.036 0.000 1.241 725 K HN 1.434 nan 8.250 nan 0.000 0.431 726 V N -0.360 119.584 119.914 0.050 0.000 3.160 726 V HA 0.577 4.696 4.120 -0.002 0.000 0.310 726 V C -1.397 174.753 176.094 0.094 0.000 1.181 726 V CA -0.976 61.362 62.300 0.063 0.000 1.047 726 V CB 1.949 33.800 31.823 0.046 0.000 1.068 726 V HN 0.827 nan 8.190 nan 0.000 0.441 727 Q N 1.555 121.433 119.800 0.130 0.000 2.322 727 Q HA 0.737 5.076 4.340 -0.002 0.000 0.265 727 Q C -1.476 174.644 176.000 0.199 0.000 0.985 727 Q CA -0.528 55.410 55.803 0.225 0.000 0.849 727 Q CB 2.450 31.353 28.738 0.275 0.000 1.274 727 Q HN 0.713 nan 8.270 nan 0.000 0.449 728 L N 3.696 125.050 121.223 0.219 0.000 2.333 728 L HA 0.524 4.863 4.340 -0.002 0.000 0.280 728 L C -1.181 175.822 176.870 0.223 0.000 1.004 728 L CA -0.877 54.061 54.840 0.165 0.000 0.820 728 L CB 1.058 43.173 42.059 0.095 0.000 1.247 728 L HN 0.338 nan 8.230 nan 0.000 0.416 729 L N 2.728 124.067 121.223 0.193 0.000 2.341 729 L HA 0.906 5.245 4.340 -0.002 0.000 0.278 729 L C 0.337 177.312 176.870 0.174 0.000 1.005 729 L CA -0.071 54.885 54.840 0.194 0.000 0.818 729 L CB 1.946 44.152 42.059 0.246 0.000 1.259 729 L HN 0.625 nan 8.230 nan 0.000 0.418 730 G N 0.399 109.271 108.800 0.119 0.000 2.690 730 G HA2 0.753 4.712 3.960 -0.002 0.000 0.293 730 G HA3 0.753 4.712 3.960 -0.002 0.000 0.293 730 G C -1.509 173.438 174.900 0.079 0.000 1.399 730 G CA -0.277 44.896 45.100 0.121 0.000 0.890 730 G HN 0.669 nan 8.290 nan 0.000 0.485 731 S N -0.828 114.954 115.700 0.135 0.000 2.607 731 S HA 0.880 5.349 4.470 -0.002 0.000 0.273 731 S C 0.676 175.355 174.600 0.130 0.000 1.148 731 S CA 0.625 58.890 58.200 0.109 0.000 0.833 731 S CB 1.361 64.676 63.200 0.192 0.000 1.130 731 S HN 2.726 nan 8.310 nan 0.000 0.470 732 G N 2.039 110.897 108.800 0.098 0.000 2.574 732 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.282 732 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.282 732 G C 1.048 175.999 174.900 0.085 0.000 1.257 732 G CA 1.313 46.490 45.100 0.128 0.000 0.956 732 G HN 2.242 nan 8.290 nan 0.000 0.560 733 S N -0.662 115.126 115.700 0.147 0.000 2.469 733 S HA -0.004 4.465 4.470 -0.002 0.000 0.238 733 S C 2.156 176.824 174.600 0.112 0.000 0.998 733 S CA 1.748 60.039 58.200 0.152 0.000 0.957 733 S CB -0.031 63.297 63.200 0.213 0.000 0.764 733 S HN 0.619 nan 8.310 nan 0.000 0.514 734 I N 1.129 121.776 120.570 0.128 0.000 3.059 734 I HA 0.123 4.292 4.170 -0.002 0.000 0.270 734 I C 2.085 178.271 176.117 0.115 0.000 1.238 734 I CA 0.221 61.629 61.300 0.180 0.000 1.478 734 I CB -1.285 36.781 38.000 0.109 0.000 1.097 734 I HN 0.334 nan 8.210 nan 0.000 0.455 735 L N 1.636 122.858 121.223 -0.001 0.000 2.042 735 L HA -0.194 4.145 4.340 -0.002 0.000 0.210 735 L C 2.728 179.541 176.870 -0.094 0.000 1.076 735 L CA 1.867 56.672 54.840 -0.059 0.000 0.749 735 L CB -0.768 41.186 42.059 -0.174 0.000 0.893 735 L HN 0.151 nan 8.230 nan 0.000 0.432 736 R N -1.552 118.805 120.500 -0.238 0.000 2.103 736 R HA -0.222 4.117 4.340 -0.002 0.000 0.242 736 R C 2.304 178.423 176.300 -0.302 0.000 1.142 736 R CA 1.930 57.832 56.100 -0.330 0.000 0.960 736 R CB -0.384 29.527 30.300 -0.649 0.000 0.858 736 R HN 0.608 nan 8.270 nan 0.000 0.439 737 H N -0.893 118.135 119.070 -0.071 0.000 2.428 737 H HA -0.031 4.524 4.556 -0.002 0.000 0.296 737 H C 2.198 177.516 175.328 -0.016 0.000 1.062 737 H CA 1.449 57.479 56.048 -0.030 0.000 1.350 737 H CB 0.097 29.849 29.762 -0.016 0.000 1.403 737 H HN 0.107 nan 8.280 nan 0.000 0.533 738 V N 1.397 121.364 119.914 0.087 0.000 2.427 738 V HA -0.208 3.911 4.120 -0.002 0.000 0.248 738 V C 2.430 178.546 176.094 0.036 0.000 1.051 738 V CA 1.460 63.795 62.300 0.059 0.000 1.048 738 V CB -0.333 31.526 31.823 0.059 0.000 0.666 738 V HN 0.353 nan 8.190 nan 0.000 0.456 739 R N -0.140 120.371 120.500 0.019 0.000 2.115 739 R HA -0.144 4.195 4.340 -0.002 0.000 0.226 739 R C 2.318 178.628 176.300 0.015 0.000 1.100 739 R CA 1.357 57.469 56.100 0.021 0.000 0.980 739 R CB -0.233 30.086 30.300 0.031 0.000 0.875 739 R HN 0.620 nan 8.270 nan 0.000 0.445 740 E N 1.093 121.294 120.200 0.001 0.000 2.077 740 E HA -0.167 4.182 4.350 -0.002 0.000 0.193 740 E C 1.898 178.516 176.600 0.031 0.000 0.989 740 E CA 1.126 57.532 56.400 0.010 0.000 0.800 740 E CB -0.001 29.700 29.700 0.003 0.000 0.746 740 E HN 0.344 nan 8.360 nan 0.000 0.452 741 A N 0.990 123.827 122.820 0.028 0.000 1.969 741 A HA -0.049 4.270 4.320 -0.002 0.000 0.218 741 A C 2.324 179.933 177.584 0.042 0.000 1.169 741 A CA 1.531 53.581 52.037 0.021 0.000 0.635 741 A CB -0.573 18.428 19.000 0.002 0.000 0.810 741 A HN 0.409 nan 8.150 nan 0.000 0.445 742 A N -0.131 122.713 122.820 0.039 0.000 1.898 742 A HA -0.157 4.162 4.320 -0.002 0.000 0.216 742 A C 1.943 179.559 177.584 0.054 0.000 1.181 742 A CA 1.568 53.630 52.037 0.042 0.000 0.620 742 A CB -0.466 18.551 19.000 0.029 0.000 0.819 742 A HN 0.617 nan 8.150 nan 0.000 0.442 743 E N -0.309 119.921 120.200 0.051 0.000 2.051 743 E HA -0.156 4.193 4.350 -0.002 0.000 0.192 743 E C 1.938 178.590 176.600 0.087 0.000 0.991 743 E CA 1.275 57.709 56.400 0.056 0.000 0.799 743 E CB -0.304 29.421 29.700 0.043 0.000 0.748 743 E HN 0.682 nan 8.360 nan 0.000 0.449 744 I N 1.117 121.753 120.570 0.111 0.000 2.208 744 I HA -0.302 3.867 4.170 -0.002 0.000 0.245 744 I C 2.424 178.699 176.117 0.264 0.000 1.097 744 I CA 0.993 62.404 61.300 0.184 0.000 1.363 744 I CB -0.219 37.912 38.000 0.219 0.000 1.051 744 I HN 0.131 nan 8.210 nan 0.000 0.413 745 L N 0.326 121.675 121.223 0.210 0.000 2.046 745 L HA -0.220 4.119 4.340 -0.002 0.000 0.208 745 L C 2.771 179.772 176.870 0.220 0.000 1.077 745 L CA 1.485 56.463 54.840 0.230 0.000 0.747 745 L CB -0.575 41.545 42.059 0.100 0.000 0.896 745 L HN 0.260 nan 8.230 nan 0.000 0.432 746 A N -0.397 122.504 122.820 0.135 0.000 1.874 746 A HA -0.186 4.133 4.320 -0.002 0.000 0.214 746 A C 2.376 180.008 177.584 0.080 0.000 1.189 746 A CA 1.474 53.568 52.037 0.095 0.000 0.615 746 A CB -0.341 18.695 19.000 0.060 0.000 0.830 746 A HN 0.275 nan 8.150 nan 0.000 0.443 747 K N -0.496 119.949 120.400 0.074 0.000 2.002 747 K HA -0.177 4.142 4.320 -0.002 0.000 0.209 747 K C 0.989 177.586 176.600 -0.005 0.000 1.048 747 K CA 1.808 58.117 56.287 0.036 0.000 0.930 747 K CB -0.166 32.357 32.500 0.039 0.000 0.714 747 K HN 0.384 nan 8.250 nan 0.000 0.438 748 D N -1.103 119.292 120.400 -0.009 0.000 2.327 748 D HA -0.042 4.597 4.640 -0.002 0.000 0.205 748 D C 0.727 176.721 176.300 -0.510 0.000 0.989 748 D CA 0.871 54.714 54.000 -0.262 0.000 0.873 748 D CB 0.315 40.911 40.800 -0.339 0.000 0.955 748 D HN 0.324 nan 8.370 nan 0.000 0.515 749 Y N -0.686 119.636 120.300 0.035 0.000 2.527 749 Y HA 0.321 4.870 4.550 -0.002 0.000 0.247 749 Y C 1.685 177.599 175.900 0.024 0.000 1.138 749 Y CA -0.115 58.002 58.100 0.029 0.000 1.228 749 Y CB 0.918 39.402 38.460 0.040 0.000 1.252 749 Y HN -0.055 nan 8.280 nan 0.000 0.531 750 G N 0.832 109.706 108.800 0.123 0.000 2.180 750 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.263 750 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.263 750 G C -0.055 174.899 174.900 0.091 0.000 0.989 750 G CA 0.477 45.626 45.100 0.082 0.000 0.692 750 G HN 0.156 nan 8.290 nan 0.000 0.526 751 V N 1.231 121.219 119.914 0.124 0.000 2.408 751 V HA 0.599 4.718 4.120 -0.002 0.000 0.267 751 V C 1.363 177.498 176.094 0.069 0.000 1.047 751 V CA 0.170 62.525 62.300 0.091 0.000 0.937 751 V CB 0.952 32.828 31.823 0.088 0.000 0.999 751 V HN 0.595 nan 8.190 nan 0.000 0.472 752 G N 3.968 112.798 108.800 0.050 0.000 2.580 752 G HA2 0.674 4.633 3.960 -0.002 0.000 0.278 752 G HA3 0.674 4.633 3.960 -0.002 0.000 0.278 752 G C -0.213 174.708 174.900 0.034 0.000 1.212 752 G CA 0.272 45.394 45.100 0.037 0.000 0.939 752 G HN 1.082 nan 8.290 nan 0.000 0.513 753 S N -1.072 114.640 115.700 0.021 0.000 2.611 753 S HA 0.402 4.871 4.470 -0.002 0.000 0.270 753 S C -2.152 172.436 174.600 -0.021 0.000 1.131 753 S CA -0.997 57.215 58.200 0.020 0.000 0.826 753 S CB 2.111 65.330 63.200 0.031 0.000 1.095 753 S HN 0.425 nan 8.310 nan 0.000 0.461 754 D N 1.228 121.608 120.400 -0.032 0.000 2.303 754 D HA 0.537 5.176 4.640 -0.002 0.000 0.236 754 D C -0.693 175.452 176.300 -0.258 0.000 1.068 754 D CA -0.188 53.690 54.000 -0.202 0.000 0.830 754 D CB 1.965 42.632 40.800 -0.222 0.000 1.109 754 D HN 0.445 nan 8.370 nan 0.000 0.496 755 V N 3.642 123.364 119.914 -0.320 0.000 2.394 755 V HA 0.299 4.418 4.120 -0.002 0.000 0.282 755 V C -0.730 175.162 176.094 -0.336 0.000 1.031 755 V CA -0.612 61.577 62.300 -0.184 0.000 0.881 755 V CB 0.399 32.178 31.823 -0.074 0.000 0.982 755 V HN 0.350 nan 8.190 nan 0.000 0.451 756 Y N 1.881 122.133 120.300 -0.079 0.000 2.429 756 Y HA 0.556 5.105 4.550 -0.002 0.000 0.342 756 Y C 0.529 176.289 175.900 -0.233 0.000 1.004 756 Y CA -0.729 57.265 58.100 -0.177 0.000 1.075 756 Y CB 2.070 40.447 38.460 -0.138 0.000 1.214 756 Y HN 0.526 nan 8.280 nan 0.000 0.455 757 S N 2.009 117.528 115.700 -0.300 0.000 2.438 757 S HA 0.563 5.032 4.470 -0.002 0.000 0.293 757 S C -1.054 173.408 174.600 -0.229 0.000 1.141 757 S CA -0.587 57.441 58.200 -0.287 0.000 1.080 757 S CB 0.108 63.065 63.200 -0.405 0.000 0.978 757 S HN 0.449 nan 8.310 nan 0.000 0.479 758 V N 6.218 126.011 119.914 -0.201 0.000 2.318 758 V HA 0.234 4.353 4.120 -0.002 0.000 0.271 758 V C 1.464 177.438 176.094 -0.199 0.000 1.030 758 V CA -0.230 61.855 62.300 -0.357 0.000 0.844 758 V CB 0.513 31.758 31.823 -0.964 0.000 1.015 758 V HN 1.071 nan 8.190 nan 0.000 0.460 759 T N -0.203 114.346 114.554 -0.007 0.000 3.067 759 T HA 0.052 4.401 4.350 -0.002 0.000 0.261 759 T C 0.778 175.549 174.700 0.119 0.000 1.110 759 T CA 0.656 62.847 62.100 0.152 0.000 1.113 759 T CB 0.238 69.303 68.868 0.329 0.000 0.917 759 T HN 0.592 nan 8.240 nan 0.000 0.499 760 S N -0.526 115.101 115.700 -0.122 0.000 2.382 760 S HA 0.410 4.879 4.470 -0.002 0.000 0.228 760 S C -0.315 174.081 174.600 -0.341 0.000 0.996 760 S CA -0.797 57.248 58.200 -0.257 0.000 1.094 760 S CB -0.401 62.490 63.200 -0.514 0.000 1.209 760 S HN 0.132 nan 8.310 nan 0.000 0.420 761 F N 2.399 122.094 119.950 -0.426 0.000 2.234 761 F HA -0.020 4.506 4.527 -0.002 0.000 0.299 761 F C 2.648 178.253 175.800 -0.324 0.000 1.087 761 F CA 1.792 59.508 58.000 -0.474 0.000 1.340 761 F CB -0.404 38.046 39.000 -0.917 0.000 1.031 761 F HN 0.519 nan 8.300 nan 0.000 0.500 762 T N -0.865 113.630 114.554 -0.099 0.000 2.708 762 T HA -0.155 4.194 4.350 -0.002 0.000 0.266 762 T C 1.852 176.478 174.700 -0.123 0.000 1.037 762 T CA 1.351 63.417 62.100 -0.057 0.000 1.146 762 T CB -0.174 68.695 68.868 0.002 0.000 0.865 762 T HN 0.092 nan 8.240 nan 0.000 0.435 763 E N 1.017 121.091 120.200 -0.210 0.000 2.153 763 E HA 0.015 4.364 4.350 -0.002 0.000 0.194 763 E C 2.251 178.758 176.600 -0.154 0.000 0.988 763 E CA 0.599 56.871 56.400 -0.214 0.000 0.811 763 E CB -0.364 29.158 29.700 -0.296 0.000 0.746 763 E HN 0.478 nan 8.360 nan 0.000 0.466 764 L N 0.055 121.199 121.223 -0.132 0.000 2.056 764 L HA -0.104 4.235 4.340 -0.002 0.000 0.207 764 L C 2.476 179.264 176.870 -0.136 0.000 1.078 764 L CA 1.041 55.821 54.840 -0.099 0.000 0.749 764 L CB -0.463 41.550 42.059 -0.076 0.000 0.901 764 L HN 0.046 nan 8.230 nan 0.000 0.433 765 A N 0.199 122.974 122.820 -0.074 0.000 1.898 765 A HA -0.184 4.135 4.320 -0.002 0.000 0.216 765 A C 2.378 179.858 177.584 -0.174 0.000 1.181 765 A CA 1.328 53.340 52.037 -0.041 0.000 0.620 765 A CB -0.418 18.625 19.000 0.072 0.000 0.819 765 A HN 0.297 nan 8.150 nan 0.000 0.442 766 R N -0.646 119.773 120.500 -0.135 0.000 2.096 766 R HA -0.145 4.194 4.340 -0.002 0.000 0.235 766 R C 1.982 178.169 176.300 -0.189 0.000 1.127 766 R CA 1.576 57.596 56.100 -0.133 0.000 0.968 766 R CB -0.404 29.830 30.300 -0.109 0.000 0.861 766 R HN 0.717 nan 8.270 nan 0.000 0.440 767 D N -0.382 119.890 120.400 -0.215 0.000 2.117 767 D HA -0.105 4.534 4.640 -0.002 0.000 0.197 767 D C 1.954 178.054 176.300 -0.334 0.000 0.987 767 D CA 1.511 55.383 54.000 -0.213 0.000 0.829 767 D CB -0.203 40.502 40.800 -0.158 0.000 0.961 767 D HN 0.224 nan 8.370 nan 0.000 0.460 768 G N -0.325 108.090 108.800 -0.643 0.000 2.421 768 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.216 768 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.216 768 G C 1.614 176.011 174.900 -0.838 0.000 1.171 768 G CA 0.775 45.110 45.100 -1.275 0.000 0.775 768 G HN 0.342 nan 8.290 nan 0.000 0.543 769 Q N 0.127 119.604 119.800 -0.538 0.000 2.124 769 Q HA -0.108 4.231 4.340 -0.002 0.000 0.202 769 Q C 2.194 178.176 176.000 -0.030 0.000 0.977 769 Q CA 1.397 57.155 55.803 -0.075 0.000 0.850 769 Q CB -0.088 28.651 28.738 0.001 0.000 0.901 769 Q HN 0.360 nan 8.270 nan 0.000 0.429 770 D N -0.126 120.226 120.400 -0.079 0.000 2.144 770 D HA -0.120 4.519 4.640 -0.002 0.000 0.200 770 D C 1.867 178.191 176.300 0.040 0.000 0.978 770 D CA 0.800 54.791 54.000 -0.014 0.000 0.833 770 D CB -0.329 40.440 40.800 -0.051 0.000 0.961 770 D HN 0.262 nan 8.370 nan 0.000 0.470 771 C N 1.033 120.324 119.300 -0.016 0.000 2.453 771 C HA -0.043 4.416 4.460 -0.002 0.000 0.277 771 C C 2.491 177.576 174.990 0.158 0.000 1.262 771 C CA 0.402 59.446 59.018 0.043 0.000 1.718 771 C CB -0.450 27.276 27.740 -0.025 0.000 2.031 771 C HN 0.304 nan 8.230 nan 0.000 0.480 772 E N 0.577 120.859 120.200 0.138 0.000 2.150 772 E HA -0.148 4.201 4.350 -0.002 0.000 0.193 772 E C 2.163 178.859 176.600 0.161 0.000 0.985 772 E CA 0.676 57.181 56.400 0.173 0.000 0.814 772 E CB -0.514 29.314 29.700 0.212 0.000 0.752 772 E HN 0.639 nan 8.360 nan 0.000 0.466 773 R N -0.434 120.156 120.500 0.151 0.000 2.073 773 R HA -0.165 4.174 4.340 -0.002 0.000 0.234 773 R C 2.183 178.593 176.300 0.184 0.000 1.134 773 R CA 1.591 57.771 56.100 0.133 0.000 0.952 773 R CB -0.517 29.851 30.300 0.113 0.000 0.850 773 R HN 0.210 nan 8.270 nan 0.000 0.433 774 W N 2.181 123.519 121.300 0.062 0.000 2.335 774 W HA -0.194 4.465 4.660 -0.001 0.000 0.311 774 W C 1.700 178.318 176.519 0.165 0.000 1.213 774 W CA 1.926 59.336 57.345 0.109 0.000 1.274 774 W CB -0.304 29.154 29.460 -0.004 0.000 1.148 774 W HN 0.195 nan 8.180 nan 0.000 0.498 775 N N 0.123 119.062 118.700 0.398 0.000 2.104 775 N HA -0.273 4.466 4.740 -0.002 0.000 0.190 775 N C 1.781 177.314 175.510 0.039 0.000 1.024 775 N CA 2.152 55.344 53.050 0.236 0.000 0.853 775 N CB -1.197 37.434 38.487 0.239 0.000 1.008 775 N HN 0.370 nan 8.380 nan 0.000 0.424 776 M N 0.218 119.842 119.600 0.041 0.000 2.159 776 M HA -0.062 4.417 4.480 -0.002 0.000 0.263 776 M C 1.145 177.385 176.300 -0.100 0.000 1.063 776 M CA 1.391 56.681 55.300 -0.016 0.000 1.110 776 M CB 0.068 32.672 32.600 0.007 0.000 1.374 776 M HN 0.033 nan 8.290 nan 0.000 0.411 777 L N -1.054 120.077 121.223 -0.154 0.000 2.558 777 L HA 0.020 4.359 4.340 -0.002 0.000 0.225 777 L C 0.051 176.519 176.870 -0.671 0.000 1.128 777 L CA 0.134 54.774 54.840 -0.333 0.000 0.868 777 L CB -0.301 41.572 42.059 -0.311 0.000 1.006 777 L HN 0.336 nan 8.230 nan 0.000 0.454 778 H N -0.723 118.047 119.070 -0.501 0.000 2.379 778 H HA 0.167 4.722 4.556 -0.002 0.000 0.229 778 H C -1.659 173.469 175.328 -0.332 0.000 1.423 778 H CA -1.438 54.270 56.048 -0.568 0.000 1.375 778 H CB 0.367 29.393 29.762 -1.227 0.000 1.592 778 H HN -0.083 nan 8.280 nan 0.000 0.507 779 P HA -0.132 nan 4.420 nan 0.000 0.222 779 P C 0.870 178.151 177.300 -0.031 0.000 1.147 779 P CA 0.967 64.026 63.100 -0.068 0.000 0.790 779 P CB 0.643 32.300 31.700 -0.073 0.000 0.780 780 L N -1.499 119.703 121.223 -0.034 0.000 2.567 780 L HA 0.151 4.490 4.340 -0.002 0.000 0.225 780 L C 1.250 178.141 176.870 0.036 0.000 1.119 780 L CA 0.236 55.076 54.840 -0.001 0.000 0.871 780 L CB -0.339 41.715 42.059 -0.008 0.000 1.036 780 L HN -0.086 nan 8.230 nan 0.000 0.459 781 E N 0.339 120.572 120.200 0.055 0.000 2.250 781 E HA 0.266 4.615 4.350 -0.002 0.000 0.265 781 E C -0.205 176.496 176.600 0.169 0.000 1.033 781 E CA -0.328 56.156 56.400 0.139 0.000 0.888 781 E CB 1.112 30.954 29.700 0.237 0.000 1.151 781 E HN -0.133 nan 8.360 nan 0.000 0.412 782 T N 3.303 117.968 114.554 0.185 0.000 2.870 782 T HA 0.203 4.552 4.350 -0.002 0.000 0.300 782 T C -2.183 172.645 174.700 0.213 0.000 0.989 782 T CA -0.935 61.253 62.100 0.147 0.000 1.139 782 T CB 0.184 69.110 68.868 0.096 0.000 0.920 782 T HN 0.097 nan 8.240 nan 0.000 0.537 783 P HA 0.137 nan 4.420 nan 0.000 0.264 783 P C 0.144 177.521 177.300 0.129 0.000 1.193 783 P CA -0.105 63.112 63.100 0.195 0.000 0.763 783 P CB 0.488 32.264 31.700 0.126 0.000 0.810 784 R N 1.479 122.053 120.500 0.124 0.000 2.539 784 R HA 0.363 4.702 4.340 -0.002 0.000 0.275 784 R C -0.542 175.761 176.300 0.005 0.000 1.077 784 R CA -0.664 55.412 56.100 -0.039 0.000 1.097 784 R CB 0.583 30.761 30.300 -0.204 0.000 1.018 784 R HN 0.245 nan 8.270 nan 0.000 0.483 785 V N 4.474 124.375 119.914 -0.023 0.000 2.370 785 V HA 0.240 4.359 4.120 -0.002 0.000 0.283 785 V C -2.077 174.010 176.094 -0.012 0.000 1.023 785 V CA -2.317 59.981 62.300 -0.004 0.000 0.857 785 V CB 1.427 33.244 31.823 -0.010 0.000 0.985 785 V HN 0.665 nan 8.190 nan 0.000 0.443 786 P HA -0.004 nan 4.420 nan 0.000 0.266 786 P C 0.270 177.571 177.300 0.002 0.000 1.195 786 P CA 0.135 63.215 63.100 -0.033 0.000 0.768 786 P CB 0.415 32.092 31.700 -0.039 0.000 0.838 787 Y N 3.757 123.996 120.300 -0.102 0.000 2.165 787 Y HA -0.219 4.330 4.550 -0.002 0.000 0.286 787 Y C 2.019 177.877 175.900 -0.069 0.000 1.155 787 Y CA 1.498 59.552 58.100 -0.075 0.000 1.164 787 Y CB -0.650 37.766 38.460 -0.074 0.000 0.978 787 Y HN 0.326 nan 8.280 nan 0.000 0.513 788 I N -0.172 120.350 120.570 -0.081 0.000 2.264 788 I HA -0.315 3.854 4.170 -0.002 0.000 0.248 788 I C 2.225 178.208 176.117 -0.224 0.000 1.111 788 I CA 1.688 62.879 61.300 -0.182 0.000 1.382 788 I CB -0.357 37.581 38.000 -0.105 0.000 1.060 788 I HN 0.310 nan 8.210 nan 0.000 0.418 789 A N -0.334 122.401 122.820 -0.141 0.000 2.119 789 A HA -0.166 4.153 4.320 -0.002 0.000 0.217 789 A C 2.120 179.622 177.584 -0.137 0.000 1.153 789 A CA 1.101 53.068 52.037 -0.115 0.000 0.692 789 A CB -0.366 18.607 19.000 -0.044 0.000 0.799 789 A HN 0.630 nan 8.150 nan 0.000 0.458 790 Q N -0.804 118.874 119.800 -0.203 0.000 2.212 790 Q HA 0.002 4.341 4.340 -0.002 0.000 0.199 790 Q C 1.891 177.755 176.000 -0.227 0.000 0.950 790 Q CA 1.170 56.857 55.803 -0.193 0.000 0.863 790 Q CB -0.023 28.595 28.738 -0.200 0.000 0.944 790 Q HN 0.494 nan 8.270 nan 0.000 0.465 791 V N 0.562 120.267 119.914 -0.349 0.000 2.446 791 V HA -0.074 4.045 4.120 -0.002 0.000 0.244 791 V C 1.314 177.362 176.094 -0.076 0.000 1.039 791 V CA 1.062 63.223 62.300 -0.231 0.000 1.045 791 V CB -0.126 31.502 31.823 -0.325 0.000 0.681 791 V HN 0.293 nan 8.190 nan 0.000 0.459 792 M N 0.836 120.316 119.600 -0.201 0.000 2.267 792 M HA 0.293 4.772 4.480 -0.002 0.000 0.303 792 M C 0.282 176.556 176.300 -0.043 0.000 1.164 792 M CA -0.016 55.181 55.300 -0.172 0.000 1.060 792 M CB 0.769 33.170 32.600 -0.332 0.000 1.455 792 M HN 0.467 nan 8.290 nan 0.000 0.483 793 N N -0.728 117.982 118.700 0.017 0.000 2.989 793 N HA 0.286 5.025 4.740 -0.002 0.000 0.338 793 N C -0.525 174.989 175.510 0.007 0.000 1.369 793 N CA -0.748 52.315 53.050 0.021 0.000 0.794 793 N CB 0.306 38.825 38.487 0.054 0.000 1.359 793 N HN 0.614 nan 8.380 nan 0.000 0.609 794 D N -1.589 118.819 120.400 0.014 0.000 2.328 794 D HA 0.134 4.773 4.640 -0.002 0.000 0.221 794 D C -0.113 176.201 176.300 0.024 0.000 1.072 794 D CA -0.390 53.616 54.000 0.010 0.000 0.850 794 D CB -0.439 40.365 40.800 0.006 0.000 0.922 794 D HN 0.621 nan 8.370 nan 0.000 0.516 795 A N 2.372 125.216 122.820 0.040 0.000 2.462 795 A HA 0.360 4.679 4.320 -0.002 0.000 0.243 795 A C -2.082 175.536 177.584 0.058 0.000 1.076 795 A CA -1.090 50.976 52.037 0.049 0.000 0.773 795 A CB -0.109 18.928 19.000 0.061 0.000 1.010 795 A HN 0.078 nan 8.150 nan 0.000 0.493 796 P HA 0.150 nan 4.420 nan 0.000 0.263 796 P C -0.393 176.955 177.300 0.081 0.000 1.175 796 P CA 0.689 63.823 63.100 0.058 0.000 0.761 796 P CB 0.507 32.230 31.700 0.038 0.000 0.794 797 A N 3.128 126.014 122.820 0.111 0.000 2.374 797 A HA 0.685 5.004 4.320 -0.002 0.000 0.317 797 A C -0.921 176.702 177.584 0.065 0.000 1.094 797 A CA -0.659 51.465 52.037 0.145 0.000 0.765 797 A CB 1.651 20.807 19.000 0.261 0.000 1.268 797 A HN 0.322 nan 8.150 nan 0.000 0.438 798 V N 0.562 120.498 119.914 0.036 0.000 2.709 798 V HA 0.779 4.898 4.120 -0.002 0.000 0.308 798 V C 0.105 176.176 176.094 -0.039 0.000 1.062 798 V CA -0.225 62.035 62.300 -0.066 0.000 0.901 798 V CB 1.612 33.416 31.823 -0.033 0.000 1.003 798 V HN 1.428 nan 8.190 nan 0.000 0.425 799 A N 2.839 125.568 122.820 -0.152 0.000 2.386 799 A HA 0.932 5.251 4.320 -0.002 0.000 0.311 799 A C -0.519 177.033 177.584 -0.054 0.000 1.068 799 A CA -0.581 51.437 52.037 -0.032 0.000 0.743 799 A CB 2.048 21.028 19.000 -0.033 0.000 1.258 799 A HN 0.815 nan 8.150 nan 0.000 0.429 800 S N 0.220 115.944 115.700 0.041 0.000 2.548 800 S HA 0.850 5.319 4.470 -0.002 0.000 0.276 800 S C -0.400 174.264 174.600 0.106 0.000 1.129 800 S CA 0.286 58.503 58.200 0.029 0.000 0.931 800 S CB 1.416 64.630 63.200 0.024 0.000 1.068 800 S HN 1.834 nan 8.310 nan 0.000 0.480 801 T N 0.423 115.042 114.554 0.108 0.000 2.787 801 T HA 0.486 4.835 4.350 -0.002 0.000 0.297 801 T C -0.488 174.280 174.700 0.113 0.000 1.221 801 T CA -0.504 61.726 62.100 0.216 0.000 1.006 801 T CB 1.418 70.553 68.868 0.445 0.000 1.328 801 T HN 0.317 nan 8.240 nan 0.000 0.509 802 D N -0.680 119.779 120.400 0.098 0.000 2.325 802 D HA 0.269 4.908 4.640 -0.002 0.000 0.225 802 D C -0.769 175.211 176.300 -0.534 0.000 1.096 802 D CA 0.039 53.912 54.000 -0.212 0.000 0.844 802 D CB -0.244 40.405 40.800 -0.251 0.000 0.925 802 D HN 0.437 nan 8.370 nan 0.000 0.513 803 Y N -0.121 120.146 120.300 -0.055 0.000 2.621 803 Y HA 0.352 4.901 4.550 -0.002 0.000 0.334 803 Y C 0.917 176.785 175.900 -0.054 0.000 1.074 803 Y CA -1.492 56.553 58.100 -0.092 0.000 1.149 803 Y CB 0.647 38.989 38.460 -0.197 0.000 1.302 803 Y HN -0.194 nan 8.280 nan 0.000 0.501 804 M N 0.073 119.733 119.600 0.100 0.000 2.252 804 M HA 0.188 4.667 4.480 -0.002 0.000 0.321 804 M C 0.464 176.804 176.300 0.067 0.000 1.070 804 M CA 0.013 55.335 55.300 0.038 0.000 1.143 804 M CB 0.516 33.128 32.600 0.019 0.000 1.498 804 M HN 0.686 nan 8.290 nan 0.000 0.445 805 K N 0.721 121.120 120.400 -0.002 0.000 2.127 805 K HA -0.193 4.126 4.320 -0.002 0.000 0.208 805 K C 1.752 178.326 176.600 -0.044 0.000 1.047 805 K CA 1.504 57.765 56.287 -0.043 0.000 0.927 805 K CB -0.523 31.935 32.500 -0.071 0.000 0.716 805 K HN 0.622 nan 8.250 nan 0.000 0.450 806 L N 0.825 122.046 121.223 -0.003 0.000 2.189 806 L HA -0.171 4.168 4.340 -0.002 0.000 0.214 806 L C 1.911 178.794 176.870 0.022 0.000 1.097 806 L CA 1.437 56.278 54.840 0.003 0.000 0.764 806 L CB -0.584 41.489 42.059 0.024 0.000 0.900 806 L HN 0.100 nan 8.230 nan 0.000 0.436 807 F N 0.241 120.118 119.950 -0.122 0.000 2.126 807 F HA -0.195 4.331 4.527 -0.002 0.000 0.299 807 F C 2.167 177.721 175.800 -0.410 0.000 1.096 807 F CA 1.553 59.451 58.000 -0.170 0.000 1.255 807 F CB -0.614 38.320 39.000 -0.110 0.000 0.997 807 F HN 0.157 nan 8.300 nan 0.000 0.479 808 A N -0.851 121.555 122.820 -0.689 0.000 2.063 808 A HA 0.059 4.378 4.320 -0.002 0.000 0.211 808 A C 2.029 179.334 177.584 -0.466 0.000 1.177 808 A CA 0.547 51.798 52.037 -1.309 0.000 0.759 808 A CB -0.560 17.735 19.000 -1.175 0.000 0.857 808 A HN 0.416 nan 8.150 nan 0.000 0.468 809 E N -0.190 119.884 120.200 -0.210 0.000 2.338 809 E HA -0.194 4.155 4.350 -0.002 0.000 0.197 809 E C 1.913 178.513 176.600 0.000 0.000 1.007 809 E CA 0.540 56.936 56.400 -0.007 0.000 0.849 809 E CB -0.092 29.585 29.700 -0.037 0.000 0.774 809 E HN 0.690 nan 8.360 nan 0.000 0.506 810 Q N 0.138 119.901 119.800 -0.060 0.000 2.133 810 Q HA -0.195 4.144 4.340 -0.002 0.000 0.208 810 Q C 2.107 178.138 176.000 0.052 0.000 0.991 810 Q CA 2.012 57.811 55.803 -0.007 0.000 0.867 810 Q CB 0.007 28.730 28.738 -0.026 0.000 0.911 810 Q HN 0.321 nan 8.270 nan 0.000 0.417 811 V N -2.228 117.719 119.914 0.056 0.000 3.649 811 V HA 0.088 4.207 4.120 -0.002 0.000 0.275 811 V C 1.725 177.712 176.094 -0.179 0.000 1.281 811 V CA 0.646 63.012 62.300 0.110 0.000 1.143 811 V CB -0.195 31.714 31.823 0.143 0.000 0.892 811 V HN 0.137 nan 8.190 nan 0.000 0.441 812 R N 2.304 122.675 120.500 -0.215 0.000 2.133 812 R HA -0.188 4.151 4.340 -0.002 0.000 0.245 812 R C 2.067 178.131 176.300 -0.392 0.000 1.137 812 R CA 2.885 58.812 56.100 -0.288 0.000 0.947 812 R CB -1.688 28.571 30.300 -0.069 0.000 0.865 812 R HN 0.537 nan 8.270 nan 0.000 0.437 813 T N -0.123 114.097 114.554 -0.556 0.000 2.822 813 T HA -0.168 4.181 4.350 -0.002 0.000 0.270 813 T C 1.038 175.299 174.700 -0.732 0.000 1.064 813 T CA 1.811 63.484 62.100 -0.710 0.000 1.131 813 T CB -0.344 67.936 68.868 -0.981 0.000 0.858 813 T HN 0.361 nan 8.240 nan 0.000 0.483 814 Y N 0.181 120.407 120.300 -0.124 0.000 2.497 814 Y HA 0.354 4.903 4.550 -0.002 0.000 0.265 814 Y C 1.089 176.886 175.900 -0.172 0.000 1.111 814 Y CA -1.108 56.918 58.100 -0.123 0.000 1.288 814 Y CB -0.499 37.900 38.460 -0.102 0.000 1.082 814 Y HN -0.078 nan 8.280 nan 0.000 0.536 815 V N 5.721 125.509 119.914 -0.209 0.000 2.485 815 V HA -0.006 4.113 4.120 -0.002 0.000 0.287 815 V C -1.220 174.775 176.094 -0.166 0.000 1.022 815 V CA -0.945 61.194 62.300 -0.268 0.000 1.067 815 V CB 0.788 32.279 31.823 -0.553 0.000 0.967 815 V HN 0.165 nan 8.190 nan 0.000 0.479 816 P HA 0.119 nan 4.420 nan 0.000 0.258 816 P C 0.104 177.374 177.300 -0.050 0.000 1.319 816 P CA 0.316 63.375 63.100 -0.068 0.000 0.785 816 P CB 0.372 32.038 31.700 -0.056 0.000 1.252 817 A N 0.095 122.883 122.820 -0.054 0.000 2.325 817 A HA 0.375 4.694 4.320 -0.002 0.000 0.333 817 A C 1.004 178.585 177.584 -0.004 0.000 1.155 817 A CA -0.561 51.469 52.037 -0.013 0.000 0.814 817 A CB 0.793 19.803 19.000 0.017 0.000 1.206 817 A HN -0.170 nan 8.150 nan 0.000 0.482 818 D N 0.344 120.749 120.400 0.008 0.000 2.224 818 D HA -0.036 4.603 4.640 -0.002 0.000 0.205 818 D C -0.475 175.842 176.300 0.028 0.000 0.965 818 D CA 1.309 55.314 54.000 0.009 0.000 0.852 818 D CB 0.237 41.041 40.800 0.008 0.000 0.947 818 D HN 0.552 nan 8.370 nan 0.000 0.494 819 D N -0.284 120.145 120.400 0.048 0.000 2.278 819 D HA 0.195 4.834 4.640 -0.002 0.000 0.245 819 D C -0.884 175.503 176.300 0.145 0.000 1.052 819 D CA -0.440 53.600 54.000 0.068 0.000 0.834 819 D CB 1.902 42.727 40.800 0.040 0.000 1.194 819 D HN -0.036 nan 8.370 nan 0.000 0.481 820 Y N 1.863 122.145 120.300 -0.030 0.000 2.317 820 Y HA 0.264 4.813 4.550 -0.002 0.000 0.329 820 Y C -1.035 174.842 175.900 -0.038 0.000 1.101 820 Y CA -0.633 57.447 58.100 -0.033 0.000 1.228 820 Y CB 0.848 39.280 38.460 -0.046 0.000 1.123 820 Y HN 0.174 nan 8.280 nan 0.000 0.457 821 R N 4.268 124.570 120.500 -0.331 0.000 2.407 821 R HA 0.755 5.094 4.340 -0.002 0.000 0.303 821 R C -1.341 174.680 176.300 -0.464 0.000 0.981 821 R CA -1.034 54.881 56.100 -0.308 0.000 0.905 821 R CB 2.017 32.223 30.300 -0.156 0.000 1.099 821 R HN 0.380 nan 8.270 nan 0.000 0.459 822 V N 5.255 124.943 119.914 -0.378 0.000 2.495 822 V HA 0.413 4.532 4.120 -0.002 0.000 0.298 822 V C -0.197 175.778 176.094 -0.198 0.000 1.031 822 V CA -0.777 61.315 62.300 -0.346 0.000 0.871 822 V CB 1.811 33.419 31.823 -0.359 0.000 0.988 822 V HN 0.565 nan 8.190 nan 0.000 0.432 823 L N 3.927 125.056 121.223 -0.156 0.000 2.325 823 L HA 0.985 5.324 4.340 -0.002 0.000 0.278 823 L C 0.571 177.384 176.870 -0.095 0.000 1.023 823 L CA -0.182 54.587 54.840 -0.117 0.000 0.811 823 L CB 1.938 43.942 42.059 -0.093 0.000 1.249 823 L HN 0.820 nan 8.230 nan 0.000 0.431 824 G N -0.578 108.167 108.800 -0.092 0.000 2.608 824 G HA2 0.415 4.374 3.960 -0.002 0.000 0.291 824 G HA3 0.415 4.374 3.960 -0.002 0.000 0.291 824 G C -0.440 174.412 174.900 -0.080 0.000 1.425 824 G CA -0.198 44.863 45.100 -0.065 0.000 0.787 824 G HN 0.473 nan 8.290 nan 0.000 0.484 825 T N -1.003 113.469 114.554 -0.137 0.000 3.268 825 T HA 0.343 4.692 4.350 -0.002 0.000 0.244 825 T C -0.381 174.188 174.700 -0.218 0.000 0.915 825 T CA -0.392 61.532 62.100 -0.293 0.000 0.935 825 T CB -0.446 68.037 68.868 -0.642 0.000 1.110 825 T HN 0.266 nan 8.240 nan 0.000 0.573 826 D N 1.612 121.988 120.400 -0.040 0.000 2.443 826 D HA 0.501 5.140 4.640 -0.002 0.000 0.239 826 D C 0.992 177.344 176.300 0.087 0.000 1.136 826 D CA 1.278 55.260 54.000 -0.029 0.000 0.879 826 D CB 0.341 41.120 40.800 -0.036 0.000 1.195 826 D HN 0.767 nan 8.370 nan 0.000 0.443 827 G N 0.241 109.037 108.800 -0.005 0.000 2.515 827 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.686 827 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.686 827 G C -0.924 174.044 174.900 0.113 0.000 1.274 827 G CA -1.212 43.936 45.100 0.080 0.000 0.874 827 G HN 0.244 nan 8.290 nan 0.000 0.631 828 F N 1.293 121.370 119.950 0.211 0.000 2.529 828 F HA 0.488 5.014 4.527 -0.002 0.000 0.365 828 F C 1.664 177.669 175.800 0.343 0.000 1.102 828 F CA 1.293 59.408 58.000 0.193 0.000 1.271 828 F CB 0.954 40.028 39.000 0.122 0.000 1.120 828 F HN 0.735 nan 8.300 nan 0.000 0.579 829 G N 2.746 111.835 108.800 0.482 0.000 2.599 829 G HA2 0.581 4.540 3.960 -0.002 0.000 0.264 829 G HA3 0.581 4.540 3.960 -0.002 0.000 0.264 829 G C -0.711 174.386 174.900 0.328 0.000 1.200 829 G CA -0.770 44.602 45.100 0.453 0.000 0.896 829 G HN 0.763 nan 8.290 nan 0.000 0.536 830 R N -1.468 119.184 120.500 0.253 0.000 2.716 830 R HA 0.504 4.843 4.340 -0.002 0.000 0.271 830 R C -1.139 175.213 176.300 0.086 0.000 1.028 830 R CA -0.816 55.353 56.100 0.116 0.000 0.883 830 R CB 0.747 31.057 30.300 0.016 0.000 1.250 830 R HN 0.377 nan 8.270 nan 0.000 0.465 831 S N 0.747 116.471 115.700 0.040 0.000 2.528 831 S HA 0.372 4.841 4.470 -0.002 0.000 0.277 831 S C -0.546 174.062 174.600 0.013 0.000 1.297 831 S CA -0.066 58.150 58.200 0.028 0.000 1.052 831 S CB 0.396 63.602 63.200 0.011 0.000 0.917 831 S HN 0.581 nan 8.310 nan 0.000 0.492 832 D N -0.276 120.140 120.400 0.026 0.000 2.896 832 D HA 0.080 4.719 4.640 -0.002 0.000 0.326 832 D C -0.927 175.397 176.300 0.039 0.000 1.348 832 D CA -0.350 53.663 54.000 0.022 0.000 0.746 832 D CB 0.693 41.499 40.800 0.010 0.000 1.307 832 D HN 0.538 nan 8.370 nan 0.000 0.447 833 S N -0.134 115.590 115.700 0.039 0.000 2.603 833 S HA 0.358 4.827 4.470 -0.002 0.000 0.268 833 S C 1.366 176.007 174.600 0.067 0.000 1.317 833 S CA -0.375 57.854 58.200 0.048 0.000 1.012 833 S CB 1.610 64.835 63.200 0.043 0.000 0.926 833 S HN 0.486 nan 8.310 nan 0.000 0.539 834 R N 0.872 121.416 120.500 0.072 0.000 2.103 834 R HA -0.166 4.173 4.340 -0.002 0.000 0.242 834 R C 2.326 178.676 176.300 0.084 0.000 1.142 834 R CA 1.903 58.053 56.100 0.083 0.000 0.960 834 R CB -0.521 29.835 30.300 0.094 0.000 0.858 834 R HN 0.907 nan 8.270 nan 0.000 0.439 835 E N 0.660 120.910 120.200 0.083 0.000 2.058 835 E HA -0.197 4.152 4.350 -0.002 0.000 0.194 835 E C 1.628 178.291 176.600 0.104 0.000 0.997 835 E CA 1.217 57.666 56.400 0.083 0.000 0.801 835 E CB 0.072 29.813 29.700 0.069 0.000 0.746 835 E HN 0.264 nan 8.360 nan 0.000 0.450 836 N N 0.442 119.196 118.700 0.091 0.000 2.166 836 N HA -0.130 4.609 4.740 -0.002 0.000 0.186 836 N C 1.977 177.582 175.510 0.157 0.000 1.019 836 N CA 0.803 53.918 53.050 0.108 0.000 0.856 836 N CB -0.204 38.317 38.487 0.057 0.000 0.993 836 N HN 0.245 nan 8.380 nan 0.000 0.426 837 L N 0.628 121.944 121.223 0.155 0.000 2.056 837 L HA -0.038 4.301 4.340 -0.002 0.000 0.207 837 L C 2.262 179.306 176.870 0.291 0.000 1.078 837 L CA 0.900 55.890 54.840 0.249 0.000 0.749 837 L CB -0.221 42.004 42.059 0.276 0.000 0.901 837 L HN 0.090 nan 8.230 nan 0.000 0.433 838 R N -1.330 119.273 120.500 0.172 0.000 2.189 838 R HA -0.168 4.171 4.340 -0.002 0.000 0.223 838 R C 2.106 178.462 176.300 0.094 0.000 1.092 838 R CA 0.903 57.053 56.100 0.083 0.000 0.989 838 R CB -0.264 29.994 30.300 -0.070 0.000 0.876 838 R HN 0.362 nan 8.270 nan 0.000 0.457 839 H N -0.642 118.475 119.070 0.078 0.000 2.355 839 H HA -0.068 4.487 4.556 -0.002 0.000 0.303 839 H C 2.015 177.368 175.328 0.041 0.000 1.061 839 H CA 1.678 57.808 56.048 0.136 0.000 1.368 839 H CB 0.013 29.869 29.762 0.156 0.000 1.412 839 H HN 0.201 nan 8.280 nan 0.000 0.523 840 H N -0.692 118.368 119.070 -0.017 0.000 2.352 840 H HA -0.133 4.422 4.556 -0.002 0.000 0.299 840 H C 1.131 176.209 175.328 -0.417 0.000 1.097 840 H CA 2.048 57.958 56.048 -0.229 0.000 1.311 840 H CB -0.475 29.098 29.762 -0.315 0.000 1.377 840 H HN 0.328 nan 8.280 nan 0.000 0.504 841 F N 1.023 120.804 119.950 -0.282 0.000 2.811 841 F HA 0.110 4.636 4.527 -0.002 0.000 0.301 841 F C 0.372 175.880 175.800 -0.485 0.000 1.151 841 F CA 0.739 58.516 58.000 -0.372 0.000 1.412 841 F CB -0.167 38.721 39.000 -0.187 0.000 1.113 841 F HN 0.216 nan 8.300 nan 0.000 0.579 842 E N -0.643 119.195 120.200 -0.603 0.000 2.271 842 E HA -0.184 4.165 4.350 -0.002 0.000 0.223 842 E C 0.558 176.738 176.600 -0.700 0.000 1.223 842 E CA 0.487 56.090 56.400 -1.328 0.000 0.704 842 E CB -1.896 26.982 29.700 -1.371 0.000 1.194 842 E HN 0.412 nan 8.360 nan 0.000 0.375 843 V N -3.064 116.658 119.914 -0.321 0.000 3.398 843 V HA 0.078 4.197 4.120 -0.002 0.000 0.298 843 V C 0.669 176.729 176.094 -0.058 0.000 1.496 843 V CA 0.350 62.569 62.300 -0.135 0.000 1.044 843 V CB 0.114 31.877 31.823 -0.099 0.000 0.880 843 V HN 0.295 nan 8.190 nan 0.000 0.443 844 D N 1.421 121.815 120.400 -0.010 0.000 2.393 844 D HA 0.474 5.113 4.640 -0.002 0.000 0.246 844 D C 1.647 177.981 176.300 0.057 0.000 1.275 844 D CA 0.393 54.385 54.000 -0.014 0.000 0.979 844 D CB 1.175 42.002 40.800 0.045 0.000 1.101 844 D HN 0.190 nan 8.370 nan 0.000 0.505 845 A N 0.470 123.327 122.820 0.060 0.000 1.903 845 A HA -0.266 4.053 4.320 -0.002 0.000 0.219 845 A C 2.192 179.654 177.584 -0.203 0.000 1.191 845 A CA 3.455 55.486 52.037 -0.010 0.000 0.638 845 A CB -1.588 17.422 19.000 0.018 0.000 0.823 845 A HN 0.747 nan 8.150 nan 0.000 0.451 846 S N -1.426 114.066 115.700 -0.347 0.000 2.383 846 S HA -0.244 4.225 4.470 -0.002 0.000 0.229 846 S C 1.863 176.125 174.600 -0.562 0.000 1.030 846 S CA 1.706 59.390 58.200 -0.860 0.000 1.002 846 S CB -0.864 61.897 63.200 -0.733 0.000 0.829 846 S HN 0.603 nan 8.310 nan 0.000 0.467 847 Y N 1.401 121.559 120.300 -0.237 0.000 2.337 847 Y HA 0.093 4.642 4.550 -0.002 0.000 0.293 847 Y C 2.767 178.589 175.900 -0.130 0.000 1.123 847 Y CA 0.715 58.722 58.100 -0.155 0.000 1.201 847 Y CB -0.489 37.887 38.460 -0.141 0.000 1.011 847 Y HN 0.123 nan 8.280 nan 0.000 0.545 848 V N -1.007 118.918 119.914 0.019 0.000 2.295 848 V HA -0.279 3.840 4.120 -0.002 0.000 0.246 848 V C 2.208 178.274 176.094 -0.048 0.000 1.049 848 V CA 1.647 63.941 62.300 -0.009 0.000 1.024 848 V CB -0.849 30.974 31.823 -0.000 0.000 0.648 848 V HN 0.217 nan 8.190 nan 0.000 0.447 849 V N -0.279 119.571 119.914 -0.106 0.000 2.287 849 V HA -0.255 3.864 4.120 -0.002 0.000 0.248 849 V C 2.427 178.468 176.094 -0.088 0.000 1.053 849 V CA 2.146 64.383 62.300 -0.105 0.000 1.027 849 V CB -0.509 31.231 31.823 -0.139 0.000 0.646 849 V HN 0.412 nan 8.190 nan 0.000 0.447 850 V N 0.098 119.970 119.914 -0.070 0.000 2.407 850 V HA -0.244 3.875 4.120 -0.002 0.000 0.248 850 V C 2.635 178.709 176.094 -0.034 0.000 1.055 850 V CA 1.942 64.223 62.300 -0.031 0.000 1.049 850 V CB -1.025 30.781 31.823 -0.028 0.000 0.662 850 V HN 0.572 nan 8.190 nan 0.000 0.455 851 A N -0.177 122.629 122.820 -0.024 0.000 1.898 851 A HA -0.042 4.277 4.320 -0.002 0.000 0.216 851 A C 2.412 179.975 177.584 -0.036 0.000 1.181 851 A CA 1.887 53.910 52.037 -0.023 0.000 0.620 851 A CB -0.655 18.331 19.000 -0.023 0.000 0.819 851 A HN 0.542 nan 8.150 nan 0.000 0.442 852 A N -0.072 122.722 122.820 -0.042 0.000 1.855 852 A HA -0.017 4.302 4.320 -0.002 0.000 0.215 852 A C 2.139 179.691 177.584 -0.053 0.000 1.191 852 A CA 1.426 53.440 52.037 -0.038 0.000 0.613 852 A CB -0.685 18.294 19.000 -0.035 0.000 0.829 852 A HN 0.451 nan 8.150 nan 0.000 0.442 853 L N -0.500 120.666 121.223 -0.095 0.000 2.127 853 L HA -0.162 4.177 4.340 -0.002 0.000 0.211 853 L C 2.784 179.617 176.870 -0.060 0.000 1.089 853 L CA 1.024 55.795 54.840 -0.115 0.000 0.757 853 L CB -0.836 41.100 42.059 -0.205 0.000 0.899 853 L HN 0.522 nan 8.230 nan 0.000 0.434 854 G N -0.154 108.618 108.800 -0.045 0.000 2.418 854 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.217 854 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.217 854 G C 1.411 176.301 174.900 -0.018 0.000 1.158 854 G CA 0.624 45.709 45.100 -0.026 0.000 0.771 854 G HN 0.450 nan 8.290 nan 0.000 0.545 855 E N 0.162 120.352 120.200 -0.017 0.000 2.072 855 E HA -0.009 4.340 4.350 -0.002 0.000 0.191 855 E C 2.554 179.153 176.600 -0.002 0.000 0.985 855 E CA 0.464 56.860 56.400 -0.007 0.000 0.801 855 E CB -0.211 29.488 29.700 -0.002 0.000 0.750 855 E HN 0.375 nan 8.360 nan 0.000 0.452 856 L N 0.740 121.959 121.223 -0.006 0.000 2.083 856 L HA -0.156 4.183 4.340 -0.002 0.000 0.209 856 L C 2.589 179.460 176.870 0.002 0.000 1.083 856 L CA 0.876 55.716 54.840 0.001 0.000 0.752 856 L CB -0.463 41.594 42.059 -0.002 0.000 0.899 856 L HN 0.154 nan 8.230 nan 0.000 0.433 857 A N 0.126 122.943 122.820 -0.004 0.000 1.930 857 A HA -0.183 4.136 4.320 -0.002 0.000 0.217 857 A C 2.253 179.838 177.584 0.002 0.000 1.175 857 A CA 1.387 53.423 52.037 -0.000 0.000 0.627 857 A CB -0.277 18.721 19.000 -0.005 0.000 0.815 857 A HN 0.312 nan 8.150 nan 0.000 0.443 858 K N -0.728 119.672 120.400 0.000 0.000 2.439 858 K HA -0.002 4.317 4.320 -0.002 0.000 0.197 858 K C 1.776 178.379 176.600 0.004 0.000 1.041 858 K CA 0.705 56.993 56.287 0.002 0.000 0.970 858 K CB -0.026 32.474 32.500 0.000 0.000 0.773 858 K HN 0.381 nan 8.250 nan 0.000 0.479 859 R N -0.659 119.844 120.500 0.006 0.000 2.280 859 R HA 0.035 4.374 4.340 -0.002 0.000 0.195 859 R C 1.037 177.342 176.300 0.009 0.000 0.935 859 R CA 0.606 56.711 56.100 0.008 0.000 1.033 859 R CB 0.615 30.921 30.300 0.011 0.000 0.964 859 R HN 0.341 nan 8.270 nan 0.000 0.489 860 G N 1.039 109.845 108.800 0.009 0.000 2.175 860 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.244 860 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.244 860 G C 0.598 175.506 174.900 0.014 0.000 0.982 860 G CA 0.327 45.434 45.100 0.010 0.000 0.641 860 G HN 0.400 nan 8.290 nan 0.000 0.527 861 E N -0.216 119.993 120.200 0.015 0.000 2.208 861 E HA 0.196 4.545 4.350 -0.002 0.000 0.193 861 E C 1.416 178.031 176.600 0.025 0.000 0.988 861 E CA 1.208 57.620 56.400 0.020 0.000 0.828 861 E CB 0.092 29.804 29.700 0.021 0.000 0.763 861 E HN 0.902 nan 8.360 nan 0.000 0.478 862 I N -2.846 117.738 120.570 0.023 0.000 2.994 862 I HA 0.382 4.551 4.170 -0.002 0.000 0.306 862 I C -1.158 174.973 176.117 0.023 0.000 1.195 862 I CA -1.244 60.074 61.300 0.030 0.000 1.001 862 I CB 2.354 40.376 38.000 0.036 0.000 1.244 862 I HN -0.363 nan 8.210 nan 0.000 0.437 863 D N 3.730 124.147 120.400 0.028 0.000 2.350 863 D HA 0.135 4.774 4.640 -0.002 0.000 0.249 863 D C 0.613 176.924 176.300 0.018 0.000 1.119 863 D CA -0.092 53.920 54.000 0.021 0.000 0.886 863 D CB 2.122 42.936 40.800 0.023 0.000 1.195 863 D HN 0.581 nan 8.370 nan 0.000 0.437 864 K N 1.607 122.014 120.400 0.011 0.000 2.218 864 K HA -0.197 4.122 4.320 -0.002 0.000 0.205 864 K C 1.609 178.215 176.600 0.009 0.000 1.046 864 K CA 1.170 57.462 56.287 0.007 0.000 0.933 864 K CB 0.172 32.675 32.500 0.005 0.000 0.728 864 K HN 0.312 nan 8.250 nan 0.000 0.454 865 K N 0.406 120.814 120.400 0.013 0.000 2.147 865 K HA -0.099 4.220 4.320 -0.002 0.000 0.205 865 K C 1.913 178.527 176.600 0.024 0.000 1.049 865 K CA 1.058 57.354 56.287 0.014 0.000 0.936 865 K CB -0.011 32.497 32.500 0.013 0.000 0.722 865 K HN -0.039 nan 8.250 nan 0.000 0.446 866 V N 1.030 120.968 119.914 0.040 0.000 2.626 866 V HA -0.184 3.935 4.120 -0.002 0.000 0.252 866 V C 2.141 178.266 176.094 0.052 0.000 1.067 866 V CA 1.266 63.614 62.300 0.079 0.000 1.081 866 V CB -0.244 31.656 31.823 0.129 0.000 0.686 866 V HN 0.078 nan 8.190 nan 0.000 0.468 867 V N 0.335 120.256 119.914 0.012 0.000 2.323 867 V HA -0.145 3.974 4.120 -0.002 0.000 0.244 867 V C 2.693 178.788 176.094 0.002 0.000 1.041 867 V CA 1.769 64.063 62.300 -0.010 0.000 1.025 867 V CB -1.025 30.789 31.823 -0.014 0.000 0.656 867 V HN 0.536 nan 8.190 nan 0.000 0.451 868 A N -0.107 122.715 122.820 0.004 0.000 1.972 868 A HA -0.224 4.095 4.320 -0.002 0.000 0.219 868 A C 1.933 179.513 177.584 -0.007 0.000 1.169 868 A CA 1.903 53.941 52.037 0.001 0.000 0.635 868 A CB -0.479 18.522 19.000 0.002 0.000 0.810 868 A HN 0.558 nan 8.150 nan 0.000 0.446 869 D N -0.086 120.311 120.400 -0.005 0.000 2.194 869 D HA 0.071 4.710 4.640 -0.002 0.000 0.204 869 D C 2.183 178.438 176.300 -0.075 0.000 0.964 869 D CA 1.175 55.158 54.000 -0.027 0.000 0.846 869 D CB -0.294 40.499 40.800 -0.011 0.000 0.962 869 D HN 0.426 nan 8.370 nan 0.000 0.490 870 A N 1.093 123.884 122.820 -0.048 0.000 1.898 870 A HA -0.116 4.203 4.320 -0.002 0.000 0.216 870 A C 2.332 179.860 177.584 -0.094 0.000 1.181 870 A CA 0.719 52.674 52.037 -0.138 0.000 0.620 870 A CB -0.656 18.379 19.000 0.058 0.000 0.819 870 A HN 0.146 nan 8.150 nan 0.000 0.442 871 I N -0.229 120.349 120.570 0.013 0.000 2.163 871 I HA -0.326 3.843 4.170 -0.002 0.000 0.243 871 I C 2.998 179.119 176.117 0.006 0.000 1.085 871 I CA 1.246 62.565 61.300 0.031 0.000 1.347 871 I CB -0.405 37.601 38.000 0.009 0.000 1.044 871 I HN 0.379 nan 8.210 nan 0.000 0.408 872 A N 0.744 123.545 122.820 -0.031 0.000 1.855 872 A HA -0.259 4.060 4.320 -0.002 0.000 0.215 872 A C 2.399 179.943 177.584 -0.067 0.000 1.191 872 A CA 1.929 53.947 52.037 -0.032 0.000 0.613 872 A CB -0.612 18.366 19.000 -0.036 0.000 0.829 872 A HN 0.366 nan 8.150 nan 0.000 0.442 873 K N -1.348 118.951 120.400 -0.168 0.000 2.074 873 K HA -0.182 4.137 4.320 -0.002 0.000 0.209 873 K C 1.000 177.458 176.600 -0.238 0.000 1.048 873 K CA 1.848 57.969 56.287 -0.276 0.000 0.926 873 K CB -0.314 31.890 32.500 -0.492 0.000 0.713 873 K HN 0.381 nan 8.250 nan 0.000 0.444 874 F N 1.637 121.588 119.950 0.001 0.000 2.773 874 F HA 0.150 4.676 4.527 -0.002 0.000 0.304 874 F C 0.177 175.988 175.800 0.018 0.000 1.129 874 F CA -0.078 57.922 58.000 -0.001 0.000 1.378 874 F CB -0.340 38.634 39.000 -0.042 0.000 1.095 874 F HN 0.110 nan 8.300 nan 0.000 0.565 875 N N 1.024 119.807 118.700 0.138 0.000 2.727 875 N HA -0.237 4.503 4.740 -0.002 0.000 0.249 875 N C -0.324 175.303 175.510 0.195 0.000 1.048 875 N CA 0.520 53.639 53.050 0.116 0.000 0.714 875 N CB -1.603 36.928 38.487 0.074 0.000 0.959 875 N HN 0.316 nan 8.380 nan 0.000 0.544 876 I N 0.621 121.271 120.570 0.132 0.000 2.352 876 I HA 0.043 4.212 4.170 -0.002 0.000 0.290 876 I C 0.810 176.976 176.117 0.082 0.000 1.036 876 I CA -0.363 60.973 61.300 0.060 0.000 1.336 876 I CB 0.887 38.769 38.000 -0.196 0.000 1.407 876 I HN -0.079 nan 8.210 nan 0.000 0.497 877 D N 6.476 126.953 120.400 0.128 0.000 2.435 877 D HA 0.186 4.825 4.640 -0.002 0.000 0.230 877 D C 0.966 177.312 176.300 0.078 0.000 1.215 877 D CA -0.068 53.990 54.000 0.097 0.000 0.947 877 D CB 1.288 42.153 40.800 0.108 0.000 1.048 877 D HN 0.656 nan 8.370 nan 0.000 0.512 878 A N 3.632 126.485 122.820 0.056 0.000 2.178 878 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 878 A C 1.288 178.894 177.584 0.035 0.000 1.157 878 A CA 0.955 53.020 52.037 0.047 0.000 0.689 878 A CB 0.168 19.187 19.000 0.031 0.000 0.787 878 A HN 0.497 nan 8.150 nan 0.000 0.465 879 D N -0.476 119.944 120.400 0.033 0.000 2.431 879 D HA 0.069 4.708 4.640 -0.002 0.000 0.213 879 D C 0.231 176.543 176.300 0.021 0.000 1.130 879 D CA -0.030 53.984 54.000 0.023 0.000 0.834 879 D CB 0.202 41.014 40.800 0.021 0.000 0.985 879 D HN 0.722 nan 8.370 nan 0.000 0.504 880 K N 0.775 121.191 120.400 0.026 0.000 2.295 880 K HA 0.220 4.539 4.320 -0.002 0.000 0.270 880 K C 0.458 177.058 176.600 -0.000 0.000 1.011 880 K CA -0.569 55.731 56.287 0.022 0.000 0.953 880 K CB 1.661 34.181 32.500 0.034 0.000 0.956 880 K HN -0.246 nan 8.250 nan 0.000 0.477 881 V N 2.559 122.475 119.914 0.003 0.000 2.928 881 V HA -0.111 4.008 4.120 -0.002 0.000 0.307 881 V C 0.271 176.342 176.094 -0.039 0.000 1.105 881 V CA -0.001 62.296 62.300 -0.006 0.000 1.223 881 V CB 0.358 32.188 31.823 0.011 0.000 0.930 881 V HN 1.018 nan 8.190 nan 0.000 0.499 882 N N 6.436 125.112 118.700 -0.039 0.000 2.411 882 N HA 0.086 4.825 4.740 -0.002 0.000 0.261 882 N C -1.723 173.737 175.510 -0.084 0.000 1.248 882 N CA -0.917 52.093 53.050 -0.068 0.000 0.885 882 N CB 1.457 39.918 38.487 -0.045 0.000 1.062 882 N HN 0.442 nan 8.380 nan 0.000 0.471 883 P HA -0.164 nan 4.420 nan 0.000 0.217 883 P C 1.192 178.480 177.300 -0.020 0.000 1.148 883 P CA 1.222 64.191 63.100 -0.218 0.000 0.834 883 P CB 0.122 31.589 31.700 -0.389 0.000 0.783 884 R N -0.262 120.231 120.500 -0.012 0.000 2.193 884 R HA -0.068 4.271 4.340 -0.002 0.000 0.229 884 R C 1.664 177.980 176.300 0.027 0.000 1.110 884 R CA 1.085 57.185 56.100 0.000 0.000 0.988 884 R CB -0.486 29.795 30.300 -0.032 0.000 0.871 884 R HN 0.242 nan 8.270 nan 0.000 0.458 885 L N -0.260 120.982 121.223 0.031 0.000 2.556 885 L HA 0.294 4.633 4.340 -0.002 0.000 0.226 885 L C 1.236 178.156 176.870 0.084 0.000 1.089 885 L CA -0.172 54.702 54.840 0.056 0.000 0.864 885 L CB -0.117 41.959 42.059 0.028 0.000 1.067 885 L HN 0.083 nan 8.230 nan 0.000 0.477 886 A N 0.000 122.870 122.820 0.083 0.000 2.254 886 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 886 A CA 0.000 52.099 52.037 0.103 0.000 0.836 886 A CB 0.000 19.093 19.000 0.155 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486