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 2g25_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 AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAEGKNI DATA SEQUENCE AHQVKKMNMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPNGQQY TPQDREQVAY DATA SEQUENCE YKEDEKGQIL 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 0.000 176.129 176.117 0.020 0.000 1.063 56 I CA 0.000 61.309 61.300 0.015 0.000 1.566 56 I CB 0.000 38.012 38.000 0.020 0.000 1.214 57 S N 4.363 120.074 115.700 0.018 0.000 2.713 57 S HA 0.523 4.992 4.470 -0.002 0.000 0.277 57 S C 0.070 174.702 174.600 0.054 0.000 1.168 57 S CA -0.868 57.347 58.200 0.024 0.000 0.994 57 S CB 1.058 64.260 63.200 0.003 0.000 1.054 57 S HN 0.529 nan 8.310 nan 0.000 0.555 58 N N 0.229 118.965 118.700 0.061 0.000 2.416 58 N HA 0.043 4.782 4.740 -0.002 0.000 0.246 58 N C -0.780 174.817 175.510 0.145 0.000 1.260 58 N CA 0.129 53.242 53.050 0.106 0.000 0.897 58 N CB -0.210 38.333 38.487 0.093 0.000 1.110 58 N HN 0.681 nan 8.380 nan 0.000 0.439 59 Y N 2.374 122.701 120.300 0.045 0.000 2.889 59 Y HA 0.171 4.720 4.550 -0.002 0.000 0.367 59 Y C 0.429 176.387 175.900 0.097 0.000 1.197 59 Y CA -0.115 58.000 58.100 0.026 0.000 1.993 59 Y CB -0.864 37.653 38.460 0.095 0.000 2.112 59 Y HN 0.302 nan 8.280 nan 0.000 0.413 60 I N -2.437 118.116 120.570 -0.029 0.000 3.279 60 I HA 0.503 4.672 4.170 -0.002 0.000 0.315 60 I C -0.742 175.296 176.117 -0.130 0.000 1.225 60 I CA -1.625 59.681 61.300 0.011 0.000 0.947 60 I CB 1.440 39.530 38.000 0.151 0.000 1.293 60 I HN -0.197 nan 8.210 nan 0.000 0.468 61 N N 1.860 120.516 118.700 -0.074 0.000 2.412 61 N HA 0.090 4.828 4.740 -0.002 0.000 0.254 61 N C 0.774 176.245 175.510 -0.064 0.000 1.232 61 N CA 0.134 53.126 53.050 -0.098 0.000 0.880 61 N CB 0.858 39.333 38.487 -0.021 0.000 1.076 61 N HN 0.665 nan 8.380 nan 0.000 0.458 62 T N 1.390 115.889 114.554 -0.092 0.000 2.821 62 T HA 0.059 4.407 4.350 -0.002 0.000 0.267 62 T C 0.996 175.675 174.700 -0.035 0.000 1.046 62 T CA 0.776 62.836 62.100 -0.067 0.000 1.139 62 T CB 0.007 68.820 68.868 -0.090 0.000 0.871 62 T HN 0.411 nan 8.240 nan 0.000 0.454 63 I N 3.890 124.441 120.570 -0.031 0.000 2.297 63 I HA 0.251 4.419 4.170 -0.002 0.000 0.291 63 I C -2.165 173.968 176.117 0.025 0.000 1.033 63 I CA -2.432 58.866 61.300 -0.003 0.000 1.253 63 I CB 1.227 39.225 38.000 -0.003 0.000 1.396 63 I HN 0.021 nan 8.210 nan 0.000 0.476 64 P HA 0.109 nan 4.420 nan 0.000 0.277 64 P C 1.069 178.408 177.300 0.066 0.000 1.240 64 P CA -0.375 62.759 63.100 0.055 0.000 0.798 64 P CB 1.406 33.136 31.700 0.050 0.000 0.979 65 V N 1.515 121.478 119.914 0.082 0.000 2.278 65 V HA -0.287 3.832 4.120 -0.002 0.000 0.251 65 V C 2.339 178.478 176.094 0.075 0.000 1.062 65 V CA 2.125 64.478 62.300 0.087 0.000 1.038 65 V CB -1.590 30.290 31.823 0.095 0.000 0.646 65 V HN 0.571 nan 8.190 nan 0.000 0.447 66 E N 0.879 121.118 120.200 0.065 0.000 2.219 66 E HA -0.265 4.084 4.350 -0.002 0.000 0.198 66 E C 1.627 178.259 176.600 0.053 0.000 0.998 66 E CA 1.615 58.048 56.400 0.055 0.000 0.818 66 E CB -0.308 29.420 29.700 0.048 0.000 0.741 66 E HN 0.765 nan 8.360 nan 0.000 0.477 67 E N 0.501 120.734 120.200 0.054 0.000 2.501 67 E HA 0.046 4.394 4.350 -0.002 0.000 0.200 67 E C 0.189 176.828 176.600 0.064 0.000 1.016 67 E CA -0.215 56.215 56.400 0.050 0.000 0.921 67 E CB 0.443 30.165 29.700 0.036 0.000 1.034 67 E HN 0.145 nan 8.360 nan 0.000 0.468 68 Q N 2.714 122.563 119.800 0.081 0.000 2.322 68 Q HA 0.190 4.529 4.340 -0.002 0.000 0.256 68 Q C -2.231 173.848 176.000 0.132 0.000 0.960 68 Q CA -2.186 53.683 55.803 0.111 0.000 0.934 68 Q CB 0.743 29.551 28.738 0.117 0.000 1.200 68 Q HN -0.071 nan 8.270 nan 0.000 0.435 69 P HA 0.041 nan 4.420 nan 0.000 0.272 69 P C -0.717 176.697 177.300 0.190 0.000 1.223 69 P CA -0.198 63.014 63.100 0.186 0.000 0.784 69 P CB 0.734 32.581 31.700 0.245 0.000 0.923 70 E N 0.766 121.033 120.200 0.112 0.000 2.415 70 E HA -0.021 4.327 4.350 -0.002 0.000 0.263 70 E C -0.856 175.715 176.600 -0.048 0.000 0.995 70 E CA 0.004 56.438 56.400 0.055 0.000 0.915 70 E CB -0.212 29.502 29.700 0.023 0.000 0.951 70 E HN 0.266 nan 8.360 nan 0.000 0.449 71 Y N 6.809 126.986 120.300 -0.204 0.000 2.465 71 Y HA 0.150 4.699 4.550 -0.002 0.000 0.331 71 Y C -1.429 174.217 175.900 -0.423 0.000 1.102 71 Y CA -1.773 56.044 58.100 -0.471 0.000 1.358 71 Y CB 0.951 39.245 38.460 -0.277 0.000 1.213 71 Y HN 0.576 nan 8.280 nan 0.000 0.525 72 P HA 0.137 nan 4.420 nan 0.000 0.240 72 P C 0.267 177.294 177.300 -0.454 0.000 1.190 72 P CA 0.550 63.242 63.100 -0.680 0.000 0.781 72 P CB 0.468 31.772 31.700 -0.659 0.000 0.931 73 G N 0.374 108.805 108.800 -0.615 0.000 2.552 73 G HA2 0.224 4.183 3.960 -0.002 0.000 0.324 73 G HA3 0.224 4.183 3.960 -0.002 0.000 0.324 73 G C -0.752 174.311 174.900 0.271 0.000 1.217 73 G CA -0.470 44.700 45.100 0.117 0.000 0.989 73 G HN -0.010 nan 8.290 nan 0.000 0.490 74 N N 0.718 119.571 118.700 0.255 0.000 2.448 74 N HA 0.094 4.832 4.740 -0.002 0.000 0.250 74 N C 1.585 177.117 175.510 0.036 0.000 1.136 74 N CA -0.247 52.841 53.050 0.063 0.000 0.953 74 N CB 0.652 39.068 38.487 -0.119 0.000 1.251 74 N HN 0.390 nan 8.380 nan 0.000 0.502 75 L N 1.589 122.876 121.223 0.108 0.000 2.042 75 L HA -0.156 4.182 4.340 -0.002 0.000 0.210 75 L C 2.358 179.220 176.870 -0.014 0.000 1.076 75 L CA 1.187 56.052 54.840 0.041 0.000 0.749 75 L CB -0.238 41.802 42.059 -0.033 0.000 0.893 75 L HN 0.561 nan 8.230 nan 0.000 0.432 76 E N 0.502 120.683 120.200 -0.032 0.000 2.051 76 E HA -0.247 4.102 4.350 -0.002 0.000 0.192 76 E C 2.211 178.762 176.600 -0.082 0.000 0.991 76 E CA 1.397 57.773 56.400 -0.040 0.000 0.799 76 E CB -0.126 29.551 29.700 -0.037 0.000 0.748 76 E HN 0.283 nan 8.360 nan 0.000 0.449 77 L N 1.807 122.931 121.223 -0.166 0.000 2.046 77 L HA -0.138 4.200 4.340 -0.002 0.000 0.208 77 L C 2.049 178.754 176.870 -0.276 0.000 1.077 77 L CA 1.860 56.534 54.840 -0.277 0.000 0.747 77 L CB -0.505 41.271 42.059 -0.473 0.000 0.896 77 L HN 0.094 nan 8.230 nan 0.000 0.432 78 E N -1.065 118.985 120.200 -0.249 0.000 2.153 78 E HA -0.216 4.133 4.350 -0.002 0.000 0.194 78 E C 2.219 178.839 176.600 0.032 0.000 0.988 78 E CA 0.559 56.914 56.400 -0.075 0.000 0.811 78 E CB -0.130 29.617 29.700 0.079 0.000 0.746 78 E HN 0.324 nan 8.360 nan 0.000 0.466 79 R N 1.091 121.609 120.500 0.029 0.000 2.090 79 R HA -0.038 4.300 4.340 -0.002 0.000 0.228 79 R C 2.076 178.439 176.300 0.105 0.000 1.110 79 R CA 0.919 57.072 56.100 0.089 0.000 0.973 79 R CB -0.017 30.335 30.300 0.087 0.000 0.869 79 R HN 0.107 nan 8.270 nan 0.000 0.440 80 R N 0.033 120.563 120.500 0.050 0.000 2.083 80 R HA -0.095 4.244 4.340 -0.002 0.000 0.237 80 R C 2.415 178.818 176.300 0.172 0.000 1.137 80 R CA 1.702 57.845 56.100 0.071 0.000 0.951 80 R CB -0.362 29.910 30.300 -0.047 0.000 0.851 80 R HN 0.220 nan 8.270 nan 0.000 0.434 81 I N 0.007 120.645 120.570 0.112 0.000 2.142 81 I HA -0.297 3.872 4.170 -0.002 0.000 0.240 81 I C 2.744 179.028 176.117 0.278 0.000 1.078 81 I CA 1.270 62.729 61.300 0.264 0.000 1.343 81 I CB -0.300 37.793 38.000 0.155 0.000 1.046 81 I HN 0.141 nan 8.210 nan 0.000 0.405 82 R N 0.643 121.260 120.500 0.194 0.000 2.105 82 R HA -0.160 4.178 4.340 -0.002 0.000 0.239 82 R C 2.327 178.724 176.300 0.161 0.000 1.135 82 R CA 1.800 58.006 56.100 0.177 0.000 0.967 82 R CB -0.124 30.268 30.300 0.153 0.000 0.861 82 R HN 0.189 nan 8.270 nan 0.000 0.442 83 S N -0.163 115.646 115.700 0.181 0.000 2.423 83 S HA -0.049 4.420 4.470 -0.002 0.000 0.231 83 S C 1.745 176.475 174.600 0.216 0.000 1.014 83 S CA 0.959 59.263 58.200 0.174 0.000 0.965 83 S CB 0.060 63.403 63.200 0.238 0.000 0.785 83 S HN 0.574 nan 8.310 nan 0.000 0.495 84 A N 1.099 124.068 122.820 0.249 0.000 1.930 84 A HA 0.098 4.417 4.320 -0.002 0.000 0.215 84 A C 1.971 179.694 177.584 0.232 0.000 1.176 84 A CA 0.769 52.935 52.037 0.215 0.000 0.632 84 A CB -0.495 18.565 19.000 0.100 0.000 0.819 84 A HN 0.475 nan 8.150 nan 0.000 0.445 85 I N -0.645 120.055 120.570 0.217 0.000 2.252 85 I HA -0.250 3.918 4.170 -0.002 0.000 0.245 85 I C 2.740 179.005 176.117 0.248 0.000 1.102 85 I CA 1.120 62.541 61.300 0.202 0.000 1.385 85 I CB -0.290 37.836 38.000 0.210 0.000 1.064 85 I HN 0.268 nan 8.210 nan 0.000 0.414 86 R N -0.015 120.630 120.500 0.242 0.000 2.080 86 R HA -0.234 4.105 4.340 -0.002 0.000 0.236 86 R C 2.259 178.671 176.300 0.187 0.000 1.137 86 R CA 2.038 58.255 56.100 0.194 0.000 0.943 86 R CB -0.728 29.512 30.300 -0.101 0.000 0.846 86 R HN 0.549 nan 8.270 nan 0.000 0.431 87 W N 2.383 123.707 121.300 0.039 0.000 2.317 87 W HA -0.247 4.411 4.660 -0.002 0.000 0.318 87 W C 1.321 177.863 176.519 0.038 0.000 1.227 87 W CA 1.594 58.964 57.345 0.043 0.000 1.269 87 W CB -0.406 29.083 29.460 0.048 0.000 1.155 87 W HN 0.122 nan 8.180 nan 0.000 0.484 88 N N 0.759 119.583 118.700 0.207 0.000 2.166 88 N HA -0.155 4.584 4.740 -0.002 0.000 0.186 88 N C 1.878 177.360 175.510 -0.046 0.000 1.019 88 N CA 2.240 55.356 53.050 0.110 0.000 0.856 88 N CB -1.062 37.521 38.487 0.161 0.000 0.993 88 N HN 0.216 nan 8.380 nan 0.000 0.426 89 A N 0.854 123.644 122.820 -0.051 0.000 1.877 89 A HA -0.073 4.246 4.320 -0.002 0.000 0.216 89 A C 2.335 179.818 177.584 -0.168 0.000 1.186 89 A CA 1.021 52.972 52.037 -0.142 0.000 0.620 89 A CB -0.693 18.243 19.000 -0.106 0.000 0.822 89 A HN 0.220 nan 8.150 nan 0.000 0.443 90 I N -0.653 119.828 120.570 -0.148 0.000 2.315 90 I HA -0.244 3.925 4.170 -0.002 0.000 0.248 90 I C 2.508 178.435 176.117 -0.316 0.000 1.117 90 I CA 0.951 62.129 61.300 -0.203 0.000 1.404 90 I CB -0.159 37.719 38.000 -0.204 0.000 1.071 90 I HN 0.251 nan 8.210 nan 0.000 0.419 91 M N -0.075 119.263 119.600 -0.437 0.000 2.175 91 M HA -0.145 4.333 4.480 -0.002 0.000 0.264 91 M C 2.666 178.799 176.300 -0.279 0.000 1.063 91 M CA 2.204 57.220 55.300 -0.472 0.000 1.119 91 M CB -1.680 30.544 32.600 -0.627 0.000 1.377 91 M HN 0.431 nan 8.290 nan 0.000 0.415 92 T N -1.468 112.993 114.554 -0.155 0.000 2.788 92 T HA -0.053 4.296 4.350 -0.002 0.000 0.268 92 T C 1.847 176.411 174.700 -0.227 0.000 1.044 92 T CA 1.508 63.516 62.100 -0.152 0.000 1.139 92 T CB -0.714 67.935 68.868 -0.365 0.000 0.867 92 T HN 0.150 nan 8.240 nan 0.000 0.454 93 V N 1.347 121.103 119.914 -0.265 0.000 2.453 93 V HA 0.064 4.183 4.120 -0.002 0.000 0.247 93 V C 2.822 178.892 176.094 -0.041 0.000 1.048 93 V CA 1.109 63.348 62.300 -0.102 0.000 1.049 93 V CB -0.663 31.111 31.823 -0.081 0.000 0.672 93 V HN 0.453 nan 8.190 nan 0.000 0.457 94 L N -0.388 120.770 121.223 -0.109 0.000 2.056 94 L HA -0.136 4.203 4.340 -0.002 0.000 0.207 94 L C 2.853 179.675 176.870 -0.080 0.000 1.078 94 L CA 1.633 56.413 54.840 -0.101 0.000 0.749 94 L CB -0.574 41.386 42.059 -0.165 0.000 0.901 94 L HN 0.305 nan 8.230 nan 0.000 0.433 95 R N -0.013 120.428 120.500 -0.098 0.000 2.073 95 R HA -0.125 4.214 4.340 -0.002 0.000 0.234 95 R C 2.426 178.724 176.300 -0.003 0.000 1.134 95 R CA 1.317 57.377 56.100 -0.068 0.000 0.952 95 R CB -0.535 29.714 30.300 -0.084 0.000 0.850 95 R HN 0.310 nan 8.270 nan 0.000 0.433 96 A N 0.892 123.744 122.820 0.053 0.000 1.892 96 A HA -0.207 4.111 4.320 -0.002 0.000 0.218 96 A C 2.298 179.909 177.584 0.046 0.000 1.188 96 A CA 1.956 54.053 52.037 0.100 0.000 0.631 96 A CB -0.657 18.497 19.000 0.258 0.000 0.822 96 A HN 0.248 nan 8.150 nan 0.000 0.447 97 S N -0.809 114.910 115.700 0.032 0.000 2.383 97 S HA -0.153 4.316 4.470 -0.002 0.000 0.229 97 S C 2.113 176.711 174.600 -0.003 0.000 1.030 97 S CA 1.408 59.614 58.200 0.009 0.000 1.002 97 S CB -0.246 62.952 63.200 -0.003 0.000 0.829 97 S HN 0.535 nan 8.310 nan 0.000 0.467 98 K N 1.311 121.703 120.400 -0.012 0.000 2.103 98 K HA -0.113 4.205 4.320 -0.002 0.000 0.207 98 K C 1.712 178.306 176.600 -0.010 0.000 1.048 98 K CA 1.198 57.475 56.287 -0.017 0.000 0.930 98 K CB -0.179 32.304 32.500 -0.028 0.000 0.716 98 K HN 0.336 nan 8.250 nan 0.000 0.444 99 K N 0.362 120.759 120.400 -0.005 0.000 2.280 99 K HA -0.148 4.171 4.320 -0.002 0.000 0.202 99 K C 0.400 176.996 176.600 -0.005 0.000 1.047 99 K CA 0.820 57.104 56.287 -0.004 0.000 0.942 99 K CB -0.128 32.372 32.500 -0.001 0.000 0.739 99 K HN 0.127 nan 8.250 nan 0.000 0.457 100 D N 0.112 120.509 120.400 -0.005 0.000 2.689 100 D HA -0.174 4.464 4.640 -0.002 0.000 0.237 100 D C -0.396 175.900 176.300 -0.006 0.000 1.148 100 D CA 0.526 54.523 54.000 -0.005 0.000 0.656 100 D CB -1.111 39.686 40.800 -0.005 0.000 1.050 100 D HN 0.230 nan 8.370 nan 0.000 0.426 101 L N 0.406 121.624 121.223 -0.008 0.000 2.857 101 L HA 0.177 4.515 4.340 -0.002 0.000 0.249 101 L C 0.706 177.567 176.870 -0.015 0.000 1.172 101 L CA -0.330 54.504 54.840 -0.011 0.000 0.980 101 L CB 0.262 42.314 42.059 -0.012 0.000 1.299 101 L HN -0.002 nan 8.230 nan 0.000 0.535 102 E N 0.342 120.535 120.200 -0.013 0.000 2.389 102 E HA -0.239 4.110 4.350 -0.002 0.000 0.243 102 E C 0.982 177.566 176.600 -0.027 0.000 1.154 102 E CA 0.452 56.844 56.400 -0.015 0.000 0.723 102 E CB -1.708 27.986 29.700 -0.010 0.000 1.261 102 E HN 0.532 nan 8.360 nan 0.000 0.390 103 L N -0.939 120.262 121.223 -0.036 0.000 2.156 103 L HA -0.010 4.329 4.340 -0.002 0.000 0.208 103 L C 1.561 178.379 176.870 -0.087 0.000 1.095 103 L CA 1.133 55.928 54.840 -0.076 0.000 0.770 103 L CB -0.402 41.602 42.059 -0.091 0.000 0.914 103 L HN 0.526 nan 8.230 nan 0.000 0.439 104 G N -0.680 108.095 108.800 -0.042 0.000 2.660 104 G HA2 0.214 4.173 3.960 -0.002 0.000 0.215 104 G HA3 0.214 4.173 3.960 -0.002 0.000 0.215 104 G C -0.076 174.829 174.900 0.008 0.000 1.345 104 G CA -0.437 44.636 45.100 -0.044 0.000 0.877 104 G HN 0.825 nan 8.290 nan 0.000 0.549 105 G N -1.849 106.928 108.800 -0.038 0.000 2.362 105 G HA2 0.554 4.513 3.960 -0.002 0.000 0.656 105 G HA3 0.554 4.513 3.960 -0.002 0.000 0.656 105 G C -0.981 173.823 174.900 -0.161 0.000 1.376 105 G CA 0.265 45.454 45.100 0.148 0.000 0.971 105 G HN 1.599 nan 8.290 nan 0.000 0.636 106 H N -0.191 118.988 119.070 0.181 0.000 2.834 106 H HA 0.724 5.278 4.556 -0.002 0.000 0.369 106 H C 0.704 176.092 175.328 0.100 0.000 1.174 106 H CA -0.762 55.348 56.048 0.103 0.000 1.165 106 H CB 2.098 31.933 29.762 0.121 0.000 1.820 106 H HN 0.480 nan 8.280 nan 0.000 0.558 107 M N -0.250 119.473 119.600 0.205 0.000 2.049 107 M HA 0.148 4.626 4.480 -0.002 0.000 0.223 107 M C 2.068 178.495 176.300 0.212 0.000 1.356 107 M CA 0.590 55.998 55.300 0.179 0.000 1.017 107 M CB 0.424 33.086 32.600 0.104 0.000 1.639 107 M HN 0.617 nan 8.290 nan 0.000 0.583 108 A N 0.286 123.221 122.820 0.192 0.000 1.972 108 A HA -0.103 4.215 4.320 -0.002 0.000 0.219 108 A C 2.101 179.824 177.584 0.232 0.000 1.169 108 A CA 2.252 54.412 52.037 0.205 0.000 0.635 108 A CB -0.624 18.491 19.000 0.192 0.000 0.810 108 A HN 0.436 nan 8.150 nan 0.000 0.446 109 S N -1.095 114.757 115.700 0.253 0.000 2.338 109 S HA -0.086 4.383 4.470 -0.002 0.000 0.218 109 S C 1.676 176.421 174.600 0.241 0.000 1.032 109 S CA 1.310 59.660 58.200 0.249 0.000 0.999 109 S CB -0.555 62.795 63.200 0.249 0.000 0.905 109 S HN 0.640 nan 8.310 nan 0.000 0.439 110 F N 2.813 122.830 119.950 0.112 0.000 2.161 110 F HA -0.134 4.392 4.527 -0.002 0.000 0.300 110 F C 2.429 178.319 175.800 0.150 0.000 1.089 110 F CA 1.294 59.359 58.000 0.107 0.000 1.282 110 F CB -0.519 38.512 39.000 0.051 0.000 1.010 110 F HN 0.095 nan 8.300 nan 0.000 0.485 111 Q N 0.287 120.124 119.800 0.062 0.000 2.096 111 Q HA -0.193 4.145 4.340 -0.002 0.000 0.204 111 Q C 2.597 178.671 176.000 0.122 0.000 0.982 111 Q CA 2.084 57.913 55.803 0.044 0.000 0.850 111 Q CB -0.893 27.968 28.738 0.204 0.000 0.901 111 Q HN 0.596 nan 8.270 nan 0.000 0.422 112 S N -0.565 115.229 115.700 0.158 0.000 2.453 112 S HA -0.040 4.429 4.470 -0.002 0.000 0.231 112 S C 1.807 176.379 174.600 -0.046 0.000 1.005 112 S CA 1.083 59.376 58.200 0.154 0.000 0.949 112 S CB -0.051 63.246 63.200 0.161 0.000 0.774 112 S HN 0.318 nan 8.310 nan 0.000 0.510 113 S N 0.225 115.911 115.700 -0.023 0.000 2.559 113 S HA 0.620 5.088 4.470 -0.002 0.000 0.226 113 S C 1.757 176.381 174.600 0.040 0.000 1.000 113 S CA 0.116 58.326 58.200 0.018 0.000 0.948 113 S CB 0.065 63.396 63.200 0.219 0.000 0.870 113 S HN 0.604 nan 8.310 nan 0.000 0.497 114 A N 2.704 125.349 122.820 -0.291 0.000 1.903 114 A HA -0.122 4.196 4.320 -0.002 0.000 0.219 114 A C 2.303 179.900 177.584 0.022 0.000 1.191 114 A CA 2.485 54.281 52.037 -0.401 0.000 0.638 114 A CB -1.833 16.645 19.000 -0.870 0.000 0.823 114 A HN 0.552 nan 8.150 nan 0.000 0.451 115 T N 0.226 114.774 114.554 -0.010 0.000 2.833 115 T HA -0.081 4.268 4.350 -0.002 0.000 0.269 115 T C 1.748 176.501 174.700 0.088 0.000 1.054 115 T CA 1.431 63.568 62.100 0.061 0.000 1.135 115 T CB -0.444 68.443 68.868 0.031 0.000 0.869 115 T HN 0.461 nan 8.240 nan 0.000 0.466 116 I N -0.241 120.357 120.570 0.047 0.000 2.179 116 I HA -0.173 3.996 4.170 -0.002 0.000 0.242 116 I C 2.162 178.268 176.117 -0.017 0.000 1.088 116 I CA 1.538 62.864 61.300 0.043 0.000 1.357 116 I CB -0.428 37.592 38.000 0.033 0.000 1.051 116 I HN 0.184 nan 8.210 nan 0.000 0.409 117 Y N 0.698 121.069 120.300 0.118 0.000 2.224 117 Y HA -0.279 4.270 4.550 -0.002 0.000 0.289 117 Y C 2.327 178.345 175.900 0.197 0.000 1.146 117 Y CA 1.741 59.906 58.100 0.108 0.000 1.182 117 Y CB -0.571 38.098 38.460 0.349 0.000 0.983 117 Y HN 0.199 nan 8.280 nan 0.000 0.524 118 D N -0.469 120.167 120.400 0.393 0.000 2.097 118 D HA -0.161 4.478 4.640 -0.002 0.000 0.195 118 D C 2.208 178.661 176.300 0.256 0.000 0.989 118 D CA 1.236 55.447 54.000 0.351 0.000 0.827 118 D CB -0.171 40.788 40.800 0.266 0.000 0.966 118 D HN 0.083 nan 8.370 nan 0.000 0.456 119 V N -0.263 119.772 119.914 0.203 0.000 2.407 119 V HA -0.282 3.837 4.120 -0.002 0.000 0.248 119 V C 2.668 178.846 176.094 0.140 0.000 1.055 119 V CA 1.416 63.899 62.300 0.305 0.000 1.049 119 V CB -0.388 31.634 31.823 0.332 0.000 0.662 119 V HN 0.431 nan 8.190 nan 0.000 0.455 120 C N -0.927 118.190 119.300 -0.305 0.000 2.446 120 C HA -0.085 4.373 4.460 -0.002 0.000 0.277 120 C C 2.480 177.008 174.990 -0.770 0.000 1.275 120 C CA 0.538 59.040 59.018 -0.860 0.000 1.727 120 C CB -1.150 25.449 27.740 -1.902 0.000 2.010 120 C HN 0.539 nan 8.230 nan 0.000 0.486 121 F N 1.693 121.437 119.950 -0.344 0.000 2.234 121 F HA -0.074 4.452 4.527 -0.002 0.000 0.299 121 F C 2.303 178.032 175.800 -0.118 0.000 1.087 121 F CA 1.323 59.288 58.000 -0.057 0.000 1.340 121 F CB -0.472 38.594 39.000 0.109 0.000 1.031 121 F HN 0.305 nan 8.300 nan 0.000 0.500 122 N N -1.507 117.179 118.700 -0.022 0.000 2.395 122 N HA -0.053 4.685 4.740 -0.002 0.000 0.175 122 N C 1.041 176.090 175.510 -0.769 0.000 1.029 122 N CA 0.994 53.820 53.050 -0.373 0.000 0.897 122 N CB -0.085 38.150 38.487 -0.420 0.000 0.991 122 N HN 0.414 nan 8.380 nan 0.000 0.441 123 H N -2.802 116.181 119.070 -0.144 0.000 3.540 123 H HA 0.223 4.777 4.556 -0.002 0.000 0.259 123 H C 0.410 175.337 175.328 -0.668 0.000 1.197 123 H CA -0.064 55.750 56.048 -0.391 0.000 1.136 123 H CB 0.520 30.006 29.762 -0.460 0.000 1.605 123 H HN 0.080 nan 8.280 nan 0.000 0.657 124 F N -0.154 119.740 119.950 -0.094 0.000 2.347 124 F HA 0.190 4.716 4.527 -0.002 0.000 0.266 124 F C 0.487 176.313 175.800 0.043 0.000 0.884 124 F CA -0.434 57.522 58.000 -0.073 0.000 1.123 124 F CB -0.077 38.787 39.000 -0.226 0.000 1.098 124 F HN -0.179 nan 8.300 nan 0.000 0.803 125 F N 3.829 123.805 119.950 0.043 0.000 2.506 125 F HA 0.062 4.587 4.527 -0.002 0.000 0.387 125 F C 0.823 176.660 175.800 0.061 0.000 1.053 125 F CA -0.257 57.730 58.000 -0.020 0.000 1.083 125 F CB -0.822 38.037 39.000 -0.235 0.000 1.010 125 F HN -0.201 nan 8.300 nan 0.000 0.551 126 R N 2.134 122.835 120.500 0.335 0.000 2.308 126 R HA 0.600 4.938 4.340 -0.002 0.000 0.305 126 R C 0.131 176.564 176.300 0.223 0.000 1.053 126 R CA -0.500 55.769 56.100 0.281 0.000 0.957 126 R CB 0.921 31.401 30.300 0.300 0.000 1.022 126 R HN 0.694 nan 8.270 nan 0.000 0.461 127 A N 2.955 125.900 122.820 0.207 0.000 2.271 127 A HA 0.306 4.624 4.320 -0.002 0.000 0.288 127 A C 0.030 177.676 177.584 0.104 0.000 1.094 127 A CA -0.595 51.526 52.037 0.140 0.000 0.828 127 A CB 0.540 19.609 19.000 0.114 0.000 1.091 127 A HN 0.743 nan 8.150 nan 0.000 0.493 128 R N 0.259 120.798 120.500 0.066 0.000 2.638 128 R HA 0.030 4.368 4.340 -0.002 0.000 0.268 128 R C -0.236 176.068 176.300 0.007 0.000 1.006 128 R CA 1.225 57.344 56.100 0.032 0.000 1.088 128 R CB -0.101 30.217 30.300 0.030 0.000 0.950 128 R HN 1.029 nan 8.270 nan 0.000 0.419 129 N N -0.388 118.284 118.700 -0.046 0.000 3.418 129 N HA 0.041 4.780 4.740 -0.002 0.000 0.316 129 N C -0.085 175.390 175.510 -0.058 0.000 1.601 129 N CA -0.870 52.127 53.050 -0.088 0.000 0.805 129 N CB 0.576 38.876 38.487 -0.313 0.000 1.873 129 N HN 0.465 nan 8.380 nan 0.000 0.615 130 E N -1.128 119.035 120.200 -0.060 0.000 2.153 130 E HA -0.171 4.178 4.350 -0.002 0.000 0.194 130 E C 0.837 177.420 176.600 -0.028 0.000 0.988 130 E CA 1.458 57.843 56.400 -0.026 0.000 0.811 130 E CB 0.104 29.796 29.700 -0.014 0.000 0.746 130 E HN 0.452 nan 8.360 nan 0.000 0.466 131 Q N 0.273 120.038 119.800 -0.058 0.000 2.259 131 Q HA 0.048 4.386 4.340 -0.002 0.000 0.201 131 Q C -0.280 175.704 176.000 -0.028 0.000 0.938 131 Q CA 1.048 56.827 55.803 -0.041 0.000 0.872 131 Q CB 0.548 29.255 28.738 -0.052 0.000 0.971 131 Q HN 0.301 nan 8.270 nan 0.000 0.494 132 D N -3.548 116.829 120.400 -0.038 0.000 2.664 132 D HA 0.370 5.009 4.640 -0.002 0.000 0.292 132 D C 0.387 176.690 176.300 0.005 0.000 1.214 132 D CA -0.606 53.390 54.000 -0.006 0.000 0.932 132 D CB 0.173 40.974 40.800 0.002 0.000 1.420 132 D HN -0.062 nan 8.370 nan 0.000 0.471 133 G N -1.321 107.503 108.800 0.039 0.000 2.956 133 G HA2 0.448 4.406 3.960 -0.002 0.000 0.207 133 G HA3 0.448 4.406 3.960 -0.002 0.000 0.207 133 G C 0.965 175.904 174.900 0.064 0.000 1.162 133 G CA 0.368 45.500 45.100 0.053 0.000 0.796 133 G HN 1.080 nan 8.290 nan 0.000 0.527 134 G N 0.109 108.943 108.800 0.055 0.000 2.642 134 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.231 134 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.231 134 G C -0.795 174.184 174.900 0.130 0.000 1.338 134 G CA -0.265 44.887 45.100 0.087 0.000 0.883 134 G HN 0.253 nan 8.290 nan 0.000 0.570 135 D N 0.629 121.130 120.400 0.168 0.000 2.304 135 D HA 0.453 5.092 4.640 -0.002 0.000 0.250 135 D C 0.701 177.108 176.300 0.177 0.000 1.107 135 D CA 0.034 54.163 54.000 0.214 0.000 0.885 135 D CB 0.959 41.973 40.800 0.357 0.000 1.192 135 D HN 0.469 nan 8.370 nan 0.000 0.436 136 L N 2.203 123.555 121.223 0.215 0.000 2.270 136 L HA 0.256 4.595 4.340 -0.002 0.000 0.286 136 L C -0.328 176.676 176.870 0.223 0.000 1.059 136 L CA -0.776 54.222 54.840 0.263 0.000 0.839 136 L CB 0.720 42.913 42.059 0.224 0.000 1.221 136 L HN -0.043 nan 8.230 nan 0.000 0.431 137 V N 3.552 123.526 119.914 0.100 0.000 2.348 137 V HA 0.146 4.265 4.120 -0.002 0.000 0.270 137 V C -0.376 175.698 176.094 -0.033 0.000 1.037 137 V CA -0.429 61.781 62.300 -0.151 0.000 0.872 137 V CB 0.688 31.858 31.823 -1.088 0.000 1.002 137 V HN 0.403 nan 8.190 nan 0.000 0.464 138 Y N 4.999 125.332 120.300 0.054 0.000 2.724 138 Y HA 0.414 4.963 4.550 -0.002 0.000 0.332 138 Y C 0.409 176.460 175.900 0.252 0.000 1.276 138 Y CA -1.082 57.129 58.100 0.185 0.000 1.597 138 Y CB -0.498 37.997 38.460 0.059 0.000 1.584 138 Y HN 0.505 nan 8.280 nan 0.000 0.478 139 F N 0.795 120.948 119.950 0.338 0.000 2.607 139 F HA -0.038 4.488 4.527 -0.002 0.000 0.374 139 F C 1.126 177.057 175.800 0.218 0.000 1.104 139 F CA 0.040 58.192 58.000 0.253 0.000 1.296 139 F CB 0.431 39.512 39.000 0.135 0.000 1.085 139 F HN 0.326 nan 8.300 nan 0.000 0.584 140 Q N 2.354 122.424 119.800 0.451 0.000 2.274 140 Q HA 0.058 4.396 4.340 -0.002 0.000 0.280 140 Q C 1.367 177.420 176.000 0.088 0.000 1.047 140 Q CA 0.316 56.263 55.803 0.239 0.000 0.907 140 Q CB 1.066 29.919 28.738 0.191 0.000 1.171 140 Q HN 0.971 nan 8.270 nan 0.000 0.381 141 G N 3.588 112.419 108.800 0.050 0.000 2.553 141 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.218 141 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.218 141 G C 0.894 175.839 174.900 0.075 0.000 1.195 141 G CA 1.163 46.242 45.100 -0.034 0.000 0.779 141 G HN 0.958 nan 8.290 nan 0.000 0.577 142 H N 0.607 119.634 119.070 -0.072 0.000 2.553 142 H HA 0.128 4.683 4.556 -0.002 0.000 0.269 142 H C 1.724 177.105 175.328 0.088 0.000 1.011 142 H CA 0.637 56.704 56.048 0.031 0.000 1.150 142 H CB -0.498 28.983 29.762 -0.468 0.000 1.339 142 H HN 0.573 nan 8.280 nan 0.000 0.604 143 I N -0.940 119.590 120.570 -0.068 0.000 3.891 143 I HA 0.187 4.356 4.170 -0.002 0.000 0.331 143 I C 1.725 177.705 176.117 -0.228 0.000 1.406 143 I CA -0.133 61.135 61.300 -0.053 0.000 1.139 143 I CB 0.178 38.223 38.000 0.075 0.000 1.056 143 I HN 0.039 nan 8.210 nan 0.000 0.399 144 S N 1.183 116.801 115.700 -0.137 0.000 2.383 144 S HA 0.004 4.472 4.470 -0.002 0.000 0.229 144 S C -0.388 173.949 174.600 -0.438 0.000 1.030 144 S CA 0.957 58.994 58.200 -0.272 0.000 1.002 144 S CB -2.078 61.000 63.200 -0.203 0.000 0.829 144 S HN 0.370 nan 8.310 nan 0.000 0.467 145 P HA 0.007 nan 4.420 nan 0.000 0.218 145 P C 1.793 178.806 177.300 -0.478 0.000 1.148 145 P CA 1.660 64.582 63.100 -0.297 0.000 0.822 145 P CB -0.684 30.819 31.700 -0.329 0.000 0.784 146 G N -0.637 107.612 108.800 -0.918 0.000 2.421 146 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.217 146 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.217 146 G C 1.583 176.031 174.900 -0.754 0.000 1.143 146 G CA 0.381 44.602 45.100 -1.465 0.000 0.784 146 G HN 0.151 nan 8.290 nan 0.000 0.541 147 V N 0.115 119.655 119.914 -0.623 0.000 2.358 147 V HA -0.163 3.956 4.120 -0.002 0.000 0.246 147 V C 2.438 178.381 176.094 -0.252 0.000 1.047 147 V CA 1.286 63.322 62.300 -0.440 0.000 1.035 147 V CB -0.686 30.853 31.823 -0.474 0.000 0.658 147 V HN 0.365 nan 8.190 nan 0.000 0.452 148 Y N 0.821 121.008 120.300 -0.188 0.000 2.181 148 Y HA -0.130 4.418 4.550 -0.002 0.000 0.288 148 Y C 2.584 178.372 175.900 -0.187 0.000 1.146 148 Y CA 0.781 58.763 58.100 -0.196 0.000 1.164 148 Y CB -1.420 36.908 38.460 -0.219 0.000 0.982 148 Y HN 0.191 nan 8.280 nan 0.000 0.515 149 A N 0.326 123.103 122.820 -0.072 0.000 1.917 149 A HA -0.277 4.042 4.320 -0.002 0.000 0.219 149 A C 2.390 179.989 177.584 0.024 0.000 1.182 149 A CA 2.218 54.220 52.037 -0.057 0.000 0.633 149 A CB -0.756 18.187 19.000 -0.095 0.000 0.819 149 A HN 0.471 nan 8.150 nan 0.000 0.448 150 R N -0.453 120.004 120.500 -0.071 0.000 2.073 150 R HA 0.063 4.402 4.340 -0.002 0.000 0.229 150 R C 2.182 178.431 176.300 -0.085 0.000 1.120 150 R CA 1.473 57.507 56.100 -0.110 0.000 0.967 150 R CB -0.492 29.625 30.300 -0.304 0.000 0.862 150 R HN 0.348 nan 8.270 nan 0.000 0.436 151 A N 0.264 123.062 122.820 -0.038 0.000 1.972 151 A HA -0.142 4.177 4.320 -0.002 0.000 0.219 151 A C 1.963 179.548 177.584 0.001 0.000 1.169 151 A CA 1.157 53.200 52.037 0.011 0.000 0.635 151 A CB -0.743 18.359 19.000 0.169 0.000 0.810 151 A HN 0.585 nan 8.150 nan 0.000 0.446 152 F N -0.208 119.667 119.950 -0.124 0.000 2.206 152 F HA -0.031 4.495 4.527 -0.002 0.000 0.298 152 F C 1.702 177.438 175.800 -0.107 0.000 1.090 152 F CA 1.025 58.935 58.000 -0.149 0.000 1.323 152 F CB -0.065 38.806 39.000 -0.216 0.000 1.028 152 F HN 0.122 nan 8.300 nan 0.000 0.492 153 L N 0.810 121.985 121.223 -0.079 0.000 2.141 153 L HA -0.120 4.219 4.340 -0.002 0.000 0.209 153 L C 1.991 178.775 176.870 -0.144 0.000 1.094 153 L CA 1.660 56.415 54.840 -0.141 0.000 0.763 153 L CB -1.282 40.784 42.059 0.011 0.000 0.908 153 L HN 0.285 nan 8.230 nan 0.000 0.437 154 E N -1.083 119.022 120.200 -0.158 0.000 2.481 154 E HA 0.094 4.442 4.350 -0.002 0.000 0.195 154 E C 1.227 177.752 176.600 -0.125 0.000 1.047 154 E CA 0.495 56.779 56.400 -0.193 0.000 0.867 154 E CB -0.006 29.545 29.700 -0.249 0.000 0.858 154 E HN 0.531 nan 8.360 nan 0.000 0.513 155 G N 1.713 110.396 108.800 -0.195 0.000 2.136 155 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.242 155 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.242 155 G C 0.813 175.610 174.900 -0.173 0.000 0.989 155 G CA 0.292 45.273 45.100 -0.199 0.000 0.682 155 G HN 0.230 nan 8.290 nan 0.000 0.522 156 R N -1.026 119.380 120.500 -0.157 0.000 2.280 156 R HA 0.402 4.741 4.340 -0.002 0.000 0.195 156 R C 0.818 177.077 176.300 -0.069 0.000 0.935 156 R CA 0.394 56.432 56.100 -0.102 0.000 1.033 156 R CB 0.394 30.657 30.300 -0.062 0.000 0.964 156 R HN 0.426 nan 8.270 nan 0.000 0.489 157 L N 0.394 121.579 121.223 -0.063 0.000 2.371 157 L HA 0.336 4.674 4.340 -0.002 0.000 0.262 157 L C 0.120 177.023 176.870 0.055 0.000 1.006 157 L CA -0.884 53.926 54.840 -0.050 0.000 0.818 157 L CB 2.390 44.402 42.059 -0.078 0.000 1.354 157 L HN -0.009 nan 8.230 nan 0.000 0.415 158 T N -2.598 111.969 114.554 0.021 0.000 2.927 158 T HA 0.184 4.533 4.350 -0.002 0.000 0.281 158 T C 0.522 175.271 174.700 0.081 0.000 0.998 158 T CA -0.529 61.620 62.100 0.082 0.000 1.019 158 T CB 1.825 70.694 68.868 0.001 0.000 1.061 158 T HN 0.693 nan 8.240 nan 0.000 0.518 159 Q N 0.234 120.122 119.800 0.146 0.000 2.170 159 Q HA -0.169 4.170 4.340 -0.002 0.000 0.203 159 Q C 2.181 178.098 176.000 -0.139 0.000 0.976 159 Q CA 1.800 57.521 55.803 -0.135 0.000 0.858 159 Q CB -0.133 28.660 28.738 0.093 0.000 0.907 159 Q HN 0.885 nan 8.270 nan 0.000 0.433 160 E N 0.115 120.287 120.200 -0.047 0.000 2.110 160 E HA -0.276 4.073 4.350 -0.002 0.000 0.193 160 E C 1.751 178.300 176.600 -0.085 0.000 0.988 160 E CA 1.434 57.809 56.400 -0.042 0.000 0.804 160 E CB -0.252 29.433 29.700 -0.025 0.000 0.745 160 E HN 0.557 nan 8.360 nan 0.000 0.458 161 Q N 0.471 120.195 119.800 -0.127 0.000 2.079 161 Q HA -0.013 4.325 4.340 -0.002 0.000 0.200 161 Q C 2.568 178.428 176.000 -0.233 0.000 0.974 161 Q CA 1.293 56.990 55.803 -0.177 0.000 0.840 161 Q CB -0.045 28.567 28.738 -0.210 0.000 0.898 161 Q HN 0.351 nan 8.270 nan 0.000 0.430 162 L N 0.684 121.708 121.223 -0.332 0.000 2.131 162 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 162 L C 1.370 178.160 176.870 -0.132 0.000 1.092 162 L CA 0.730 55.330 54.840 -0.399 0.000 0.759 162 L CB -0.296 41.211 42.059 -0.922 0.000 0.903 162 L HN 0.181 nan 8.230 nan 0.000 0.435 163 D N -0.256 120.105 120.400 -0.065 0.000 2.363 163 D HA -0.069 4.569 4.640 -0.002 0.000 0.220 163 D C 1.118 177.434 176.300 0.027 0.000 0.994 163 D CA 0.650 54.679 54.000 0.048 0.000 0.890 163 D CB 0.002 40.836 40.800 0.056 0.000 0.906 163 D HN 0.250 nan 8.370 nan 0.000 0.530 164 N N 0.206 118.898 118.700 -0.013 0.000 2.238 164 N HA -0.001 4.738 4.740 -0.002 0.000 0.222 164 N C -0.167 175.330 175.510 -0.023 0.000 1.133 164 N CA -0.346 52.691 53.050 -0.021 0.000 0.854 164 N CB 0.119 38.577 38.487 -0.049 0.000 1.041 164 N HN 0.090 nan 8.380 nan 0.000 0.510 165 F N 2.561 122.421 119.950 -0.150 0.000 2.602 165 F HA 0.021 4.547 4.527 -0.002 0.000 0.385 165 F C 1.160 176.904 175.800 -0.093 0.000 1.063 165 F CA 0.232 58.136 58.000 -0.160 0.000 1.233 165 F CB 0.241 39.165 39.000 -0.127 0.000 1.067 165 F HN 0.125 nan 8.300 nan 0.000 0.564 166 R N 3.062 123.186 120.500 -0.627 0.000 3.776 166 R HA -0.204 4.134 4.340 -0.002 0.000 0.312 166 R C -0.845 175.302 176.300 -0.256 0.000 1.181 166 R CA 0.982 56.751 56.100 -0.552 0.000 0.836 166 R CB -1.792 28.036 30.300 -0.786 0.000 1.324 166 R HN 0.820 nan 8.270 nan 0.000 0.501 167 Q N -0.080 119.622 119.800 -0.163 0.000 3.147 167 Q HA 0.104 4.443 4.340 -0.002 0.000 0.224 167 Q C -0.274 175.690 176.000 -0.060 0.000 0.901 167 Q CA -0.255 55.500 55.803 -0.081 0.000 0.729 167 Q CB 1.265 29.983 28.738 -0.034 0.000 1.363 167 Q HN 0.341 nan 8.270 nan 0.000 0.467 168 E N 0.059 120.215 120.200 -0.072 0.000 2.490 168 E HA 0.030 4.378 4.350 -0.002 0.000 0.209 168 E C 1.353 177.906 176.600 -0.078 0.000 0.971 168 E CA 0.043 56.407 56.400 -0.061 0.000 0.988 168 E CB 0.627 30.295 29.700 -0.052 0.000 1.029 168 E HN 0.154 nan 8.360 nan 0.000 0.496 169 V N 1.904 121.733 119.914 -0.141 0.000 2.453 169 V HA -0.250 3.868 4.120 -0.002 0.000 0.252 169 V C 1.524 177.417 176.094 -0.335 0.000 1.068 169 V CA 1.744 63.884 62.300 -0.267 0.000 1.070 169 V CB -0.597 30.990 31.823 -0.393 0.000 0.664 169 V HN 0.469 nan 8.190 nan 0.000 0.461 170 H N -0.515 118.538 119.070 -0.029 0.000 2.517 170 H HA 0.430 4.985 4.556 -0.002 0.000 0.282 170 H C 1.200 176.511 175.328 -0.028 0.000 1.023 170 H CA 0.769 56.801 56.048 -0.026 0.000 1.169 170 H CB 0.096 29.842 29.762 -0.027 0.000 1.454 170 H HN 0.496 nan 8.280 nan 0.000 0.556 171 G N 1.726 110.550 108.800 0.040 0.000 2.733 171 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.686 171 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.686 171 G C -0.009 174.893 174.900 0.003 0.000 1.373 171 G CA -0.182 44.926 45.100 0.014 0.000 0.838 171 G HN 0.405 nan 8.290 nan 0.000 0.588 172 N N -1.701 116.984 118.700 -0.026 0.000 2.741 172 N HA -0.082 4.657 4.740 -0.002 0.000 0.250 172 N C 0.763 176.230 175.510 -0.073 0.000 1.115 172 N CA 3.081 56.100 53.050 -0.050 0.000 0.724 172 N CB -1.004 37.462 38.487 -0.035 0.000 1.090 172 N HN 1.948 nan 8.380 nan 0.000 0.558 173 G N -1.117 107.636 108.800 -0.078 0.000 2.788 173 G HA2 0.808 4.766 3.960 -0.002 0.000 0.293 173 G HA3 0.808 4.766 3.960 -0.002 0.000 0.293 173 G C -0.853 173.955 174.900 -0.154 0.000 1.305 173 G CA -0.730 44.308 45.100 -0.103 0.000 1.005 173 G HN 0.146 nan 8.290 nan 0.000 0.496 174 L N 0.059 121.171 121.223 -0.185 0.000 2.381 174 L HA 0.469 4.807 4.340 -0.002 0.000 0.268 174 L C 0.263 177.084 176.870 -0.080 0.000 0.997 174 L CA -0.842 53.861 54.840 -0.227 0.000 0.818 174 L CB 2.270 43.949 42.059 -0.634 0.000 1.310 174 L HN 0.404 nan 8.230 nan 0.000 0.416 175 S N 0.012 115.786 115.700 0.122 0.000 2.579 175 S HA 0.041 4.510 4.470 -0.002 0.000 0.275 175 S C 1.242 175.868 174.600 0.044 0.000 1.345 175 S CA -0.131 58.150 58.200 0.135 0.000 1.031 175 S CB 1.393 64.769 63.200 0.294 0.000 0.892 175 S HN 0.850 nan 8.310 nan 0.000 0.529 176 S N 1.320 116.888 115.700 -0.220 0.000 2.359 176 S HA -0.102 4.367 4.470 -0.002 0.000 0.224 176 S C 0.129 174.340 174.600 -0.647 0.000 1.035 176 S CA 1.142 58.965 58.200 -0.628 0.000 1.018 176 S CB -0.542 62.067 63.200 -0.984 0.000 0.876 176 S HN 0.701 nan 8.310 nan 0.000 0.448 177 Y N 0.374 120.613 120.300 -0.101 0.000 2.698 177 Y HA 0.584 5.132 4.550 -0.002 0.000 0.332 177 Y C -3.026 172.226 175.900 -1.079 0.000 1.119 177 Y CA -3.262 54.546 58.100 -0.487 0.000 1.109 177 Y CB -0.172 38.042 38.460 -0.411 0.000 1.308 177 Y HN -0.194 nan 8.280 nan 0.000 0.499 178 P HA 0.072 nan 4.420 nan 0.000 0.263 178 P C -1.047 175.762 177.300 -0.819 0.000 1.276 178 P CA 0.779 62.853 63.100 -1.710 0.000 0.986 178 P CB -0.179 30.844 31.700 -1.129 0.000 1.105 179 H N 4.463 123.386 119.070 -0.245 0.000 2.854 179 H HA 0.197 4.752 4.556 -0.002 0.000 0.275 179 H C -1.891 173.541 175.328 0.172 0.000 1.198 179 H CA -2.085 53.984 56.048 0.036 0.000 1.489 179 H CB 1.216 31.013 29.762 0.059 0.000 1.519 179 H HN 0.223 nan 8.280 nan 0.000 0.503 180 P HA -0.203 nan 4.420 nan 0.000 0.216 180 P C 1.800 179.199 177.300 0.166 0.000 1.150 180 P CA 1.360 64.588 63.100 0.213 0.000 0.843 180 P CB 0.650 32.415 31.700 0.109 0.000 0.787 181 K N -0.002 120.478 120.400 0.133 0.000 2.097 181 K HA -0.097 4.221 4.320 -0.002 0.000 0.206 181 K C 1.846 178.497 176.600 0.084 0.000 1.049 181 K CA 1.389 57.721 56.287 0.074 0.000 0.933 181 K CB -0.941 31.563 32.500 0.007 0.000 0.717 181 K HN 0.082 nan 8.250 nan 0.000 0.442 182 L N -0.719 120.585 121.223 0.135 0.000 2.209 182 L HA 0.150 4.489 4.340 -0.002 0.000 0.207 182 L C 0.841 177.807 176.870 0.160 0.000 1.094 182 L CA 0.491 55.410 54.840 0.131 0.000 0.790 182 L CB 0.012 42.164 42.059 0.154 0.000 0.932 182 L HN 0.161 nan 8.230 nan 0.000 0.447 183 M N 0.487 120.232 119.600 0.242 0.000 2.353 183 M HA 0.219 4.698 4.480 -0.002 0.000 0.218 183 M C -1.883 174.547 176.300 0.216 0.000 1.044 183 M CA -1.239 54.200 55.300 0.230 0.000 0.615 183 M CB 1.754 34.558 32.600 0.341 0.000 1.531 183 M HN -0.247 nan 8.290 nan 0.000 0.378 184 P HA -0.146 nan 4.420 nan 0.000 0.226 184 P C 0.228 177.574 177.300 0.077 0.000 1.146 184 P CA 1.406 64.567 63.100 0.101 0.000 0.773 184 P CB 0.222 31.966 31.700 0.074 0.000 0.772 185 E N -3.336 116.917 120.200 0.088 0.000 2.562 185 E HA 0.144 4.492 4.350 -0.002 0.000 0.214 185 E C 0.780 177.423 176.600 0.072 0.000 0.979 185 E CA -0.221 56.215 56.400 0.061 0.000 1.002 185 E CB 0.158 29.891 29.700 0.055 0.000 1.048 185 E HN 0.214 nan 8.360 nan 0.000 0.488 186 F N -0.495 119.391 119.950 -0.107 0.000 2.522 186 F HA 0.260 4.786 4.527 -0.002 0.000 0.275 186 F C -0.156 175.463 175.800 -0.301 0.000 0.890 186 F CA -0.188 57.653 58.000 -0.265 0.000 1.157 186 F CB 0.418 39.177 39.000 -0.401 0.000 1.117 186 F HN -0.144 nan 8.300 nan 0.000 0.787 187 W N 2.038 123.429 121.300 0.151 0.000 2.237 187 W HA 0.366 5.024 4.660 -0.002 0.000 0.335 187 W C 0.966 177.376 176.519 -0.182 0.000 1.230 187 W CA -0.174 57.160 57.345 -0.017 0.000 1.253 187 W CB 0.853 30.375 29.460 0.103 0.000 1.129 187 W HN 0.107 nan 8.180 nan 0.000 0.590 188 Q N 0.500 120.272 119.800 -0.046 0.000 2.459 188 Q HA 0.169 4.508 4.340 -0.002 0.000 0.260 188 Q C -0.720 174.774 176.000 -0.845 0.000 0.828 188 Q CA 0.251 55.685 55.803 -0.616 0.000 0.987 188 Q CB 0.828 28.872 28.738 -1.155 0.000 1.216 188 Q HN 0.309 nan 8.270 nan 0.000 0.558 189 F N 2.107 122.057 119.950 -0.001 0.000 2.539 189 F HA 0.386 4.911 4.527 -0.002 0.000 0.328 189 F C -2.451 173.346 175.800 -0.005 0.000 1.148 189 F CA -3.086 54.856 58.000 -0.097 0.000 0.940 189 F CB 1.299 39.967 39.000 -0.553 0.000 1.194 189 F HN -0.184 nan 8.300 nan 0.000 0.438 190 P HA 0.141 nan 4.420 nan 0.000 0.274 190 P C 0.567 177.972 177.300 0.176 0.000 1.291 190 P CA -0.111 63.074 63.100 0.142 0.000 0.815 190 P CB 0.746 32.580 31.700 0.223 0.000 0.897 191 T N -1.768 112.851 114.554 0.108 0.000 3.023 191 T HA 0.023 4.372 4.350 -0.002 0.000 0.253 191 T C 1.451 176.181 174.700 0.050 0.000 1.038 191 T CA 0.168 62.348 62.100 0.135 0.000 0.962 191 T CB -0.661 68.320 68.868 0.187 0.000 1.018 191 T HN 0.056 nan 8.240 nan 0.000 0.521 192 V N 0.749 120.641 119.914 -0.038 0.000 2.568 192 V HA -0.047 4.072 4.120 -0.002 0.000 0.253 192 V C 1.674 177.728 176.094 -0.068 0.000 1.072 192 V CA 1.131 63.339 62.300 -0.153 0.000 1.084 192 V CB -1.206 30.394 31.823 -0.373 0.000 0.676 192 V HN 0.515 nan 8.190 nan 0.000 0.469 193 S N 2.367 118.087 115.700 0.033 0.000 2.411 193 S HA 0.349 4.818 4.470 -0.002 0.000 0.304 193 S C 0.295 174.917 174.600 0.037 0.000 1.098 193 S CA -0.605 57.621 58.200 0.043 0.000 1.068 193 S CB -0.448 62.808 63.200 0.094 0.000 1.032 193 S HN 0.307 nan 8.310 nan 0.000 0.511 194 M N 3.737 123.343 119.600 0.010 0.000 2.245 194 M HA 0.149 4.628 4.480 -0.002 0.000 0.335 194 M C 1.721 178.032 176.300 0.018 0.000 1.155 194 M CA 1.380 56.688 55.300 0.014 0.000 1.055 194 M CB -0.842 31.757 32.600 -0.002 0.000 1.670 194 M HN 0.953 nan 8.290 nan 0.000 0.447 195 G N 1.955 110.764 108.800 0.014 0.000 2.345 195 G HA2 -0.240 3.718 3.960 -0.002 0.000 0.218 195 G HA3 -0.240 3.718 3.960 -0.002 0.000 0.218 195 G C 0.797 175.712 174.900 0.026 0.000 1.058 195 G CA 0.192 45.300 45.100 0.013 0.000 0.632 195 G HN 0.587 nan 8.290 nan 0.000 0.508 196 L N 1.330 122.581 121.223 0.046 0.000 2.093 196 L HA 0.106 4.445 4.340 -0.002 0.000 0.208 196 L C 3.107 180.020 176.870 0.072 0.000 1.085 196 L CA 1.852 56.734 54.840 0.069 0.000 0.755 196 L CB -1.094 41.028 42.059 0.105 0.000 0.904 196 L HN 0.426 nan 8.230 nan 0.000 0.435 197 G N 1.155 109.998 108.800 0.072 0.000 2.433 197 G HA2 -0.189 3.769 3.960 -0.002 0.000 0.216 197 G HA3 -0.189 3.769 3.960 -0.002 0.000 0.216 197 G C -0.459 174.348 174.900 -0.155 0.000 1.186 197 G CA 0.723 45.858 45.100 0.057 0.000 0.779 197 G HN 0.325 nan 8.290 nan 0.000 0.543 198 P HA -0.109 nan 4.420 nan 0.000 0.214 198 P C 2.052 179.401 177.300 0.082 0.000 1.163 198 P CA 0.971 63.929 63.100 -0.237 0.000 0.883 198 P CB -0.078 31.484 31.700 -0.229 0.000 0.788 199 I N -0.487 120.147 120.570 0.108 0.000 2.439 199 I HA -0.051 4.118 4.170 -0.002 0.000 0.251 199 I C 2.289 178.517 176.117 0.186 0.000 1.139 199 I CA 1.502 62.924 61.300 0.204 0.000 1.438 199 I CB -0.742 37.354 38.000 0.159 0.000 1.085 199 I HN -0.112 nan 8.210 nan 0.000 0.427 200 G N 0.366 109.193 108.800 0.045 0.000 2.446 200 G HA2 -0.296 3.662 3.960 -0.002 0.000 0.217 200 G HA3 -0.296 3.662 3.960 -0.002 0.000 0.217 200 G C 1.735 176.547 174.900 -0.146 0.000 1.168 200 G CA 0.733 45.843 45.100 0.018 0.000 0.771 200 G HN 0.549 nan 8.290 nan 0.000 0.551 201 A N 0.624 123.149 122.820 -0.492 0.000 1.902 201 A HA 0.067 4.386 4.320 -0.002 0.000 0.217 201 A C 2.401 179.910 177.584 -0.126 0.000 1.181 201 A CA 1.224 52.888 52.037 -0.622 0.000 0.623 201 A CB -0.356 18.227 19.000 -0.694 0.000 0.818 201 A HN 0.377 nan 8.150 nan 0.000 0.443 202 I N -1.841 118.759 120.570 0.050 0.000 2.118 202 I HA -0.325 3.843 4.170 -0.002 0.000 0.241 202 I C 2.296 178.309 176.117 -0.174 0.000 1.070 202 I CA 1.746 63.033 61.300 -0.022 0.000 1.327 202 I CB -0.404 37.596 38.000 -0.000 0.000 1.034 202 I HN 0.430 nan 8.210 nan 0.000 0.405 203 Y N 0.078 120.377 120.300 -0.002 0.000 2.439 203 Y HA -0.227 4.322 4.550 -0.003 0.000 0.292 203 Y C 2.568 178.495 175.900 0.045 0.000 1.130 203 Y CA 1.051 59.158 58.100 0.012 0.000 1.254 203 Y CB -0.350 38.104 38.460 -0.010 0.000 1.000 203 Y HN 0.235 nan 8.280 nan 0.000 0.554 204 Q N 0.659 120.529 119.800 0.118 0.000 2.046 204 Q HA -0.115 4.224 4.340 -0.002 0.000 0.200 204 Q C 2.361 178.443 176.000 0.137 0.000 0.975 204 Q CA 1.824 57.710 55.803 0.138 0.000 0.836 204 Q CB -0.484 28.307 28.738 0.089 0.000 0.896 204 Q HN 0.344 nan 8.270 nan 0.000 0.428 205 A N 0.653 123.496 122.820 0.038 0.000 1.933 205 A HA -0.219 4.100 4.320 -0.002 0.000 0.218 205 A C 2.081 179.675 177.584 0.017 0.000 1.175 205 A CA 1.836 53.875 52.037 0.004 0.000 0.628 205 A CB -0.662 18.294 19.000 -0.073 0.000 0.814 205 A HN 0.439 nan 8.150 nan 0.000 0.444 206 K N -1.629 118.770 120.400 -0.001 0.000 2.057 206 K HA -0.153 4.166 4.320 -0.002 0.000 0.207 206 K C 1.741 178.404 176.600 0.105 0.000 1.049 206 K CA 1.681 57.977 56.287 0.015 0.000 0.931 206 K CB -0.339 32.117 32.500 -0.073 0.000 0.714 206 K HN 0.371 nan 8.250 nan 0.000 0.440 207 F N 1.401 121.352 119.950 0.001 0.000 2.234 207 F HA -0.066 4.460 4.527 -0.002 0.000 0.299 207 F C 1.553 177.403 175.800 0.084 0.000 1.087 207 F CA 1.076 59.084 58.000 0.012 0.000 1.340 207 F CB -0.009 38.997 39.000 0.010 0.000 1.031 207 F HN -0.016 nan 8.300 nan 0.000 0.500 208 L N -0.202 121.070 121.223 0.082 0.000 2.083 208 L HA -0.230 4.108 4.340 -0.002 0.000 0.209 208 L C 2.352 179.201 176.870 -0.036 0.000 1.083 208 L CA 1.528 56.371 54.840 0.005 0.000 0.752 208 L CB -0.600 41.498 42.059 0.064 0.000 0.899 208 L HN 0.041 nan 8.230 nan 0.000 0.433 209 K N -1.097 119.317 120.400 0.025 0.000 2.217 209 K HA -0.199 4.119 4.320 -0.002 0.000 0.202 209 K C 1.994 178.679 176.600 0.141 0.000 1.051 209 K CA 1.013 57.369 56.287 0.116 0.000 0.952 209 K CB -0.112 32.480 32.500 0.153 0.000 0.736 209 K HN 0.186 nan 8.250 nan 0.000 0.453 210 Y N 1.032 121.175 120.300 -0.261 0.000 2.200 210 Y HA -0.138 4.411 4.550 -0.002 0.000 0.290 210 Y C 1.484 177.113 175.900 -0.451 0.000 1.137 210 Y CA 1.300 59.024 58.100 -0.627 0.000 1.163 210 Y CB -0.031 37.889 38.460 -0.899 0.000 0.988 210 Y HN -0.079 nan 8.280 nan 0.000 0.518 211 L N 0.053 121.006 121.223 -0.450 0.000 2.141 211 L HA -0.173 4.165 4.340 -0.002 0.000 0.209 211 L C 2.515 179.232 176.870 -0.255 0.000 1.094 211 L CA 1.657 56.244 54.840 -0.423 0.000 0.763 211 L CB -0.505 41.353 42.059 -0.335 0.000 0.908 211 L HN 0.306 nan 8.230 nan 0.000 0.437 212 E N -0.493 119.619 120.200 -0.146 0.000 2.047 212 E HA -0.218 4.130 4.350 -0.002 0.000 0.191 212 E C 2.129 178.665 176.600 -0.107 0.000 0.987 212 E CA 1.137 57.479 56.400 -0.097 0.000 0.799 212 E CB 0.081 29.751 29.700 -0.051 0.000 0.752 212 E HN 0.501 nan 8.360 nan 0.000 0.449 213 H N -0.171 118.832 119.070 -0.111 0.000 2.353 213 H HA 0.033 4.588 4.556 -0.003 0.000 0.300 213 H C 1.741 176.993 175.328 -0.127 0.000 1.090 213 H CA 1.238 57.257 56.048 -0.048 0.000 1.327 213 H CB 0.216 30.066 29.762 0.146 0.000 1.383 213 H HN -0.054 nan 8.280 nan 0.000 0.508 214 R N 0.355 120.754 120.500 -0.169 0.000 2.339 214 R HA 0.032 4.371 4.340 -0.002 0.000 0.199 214 R C 0.749 176.943 176.300 -0.176 0.000 1.018 214 R CA 0.715 56.662 56.100 -0.255 0.000 1.036 214 R CB -0.426 29.543 30.300 -0.552 0.000 0.899 214 R HN 0.531 nan 8.270 nan 0.000 0.473 215 G N 1.339 110.053 108.800 -0.144 0.000 2.249 215 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.273 215 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.273 215 G C 0.523 175.356 174.900 -0.111 0.000 1.036 215 G CA 0.022 45.056 45.100 -0.111 0.000 0.824 215 G HN 0.225 nan 8.290 nan 0.000 0.504 216 L N -0.760 120.378 121.223 -0.142 0.000 2.253 216 L HA 0.510 4.849 4.340 -0.002 0.000 0.205 216 L C 1.274 178.093 176.870 -0.085 0.000 1.078 216 L CA 1.958 56.727 54.840 -0.118 0.000 0.805 216 L CB -0.045 41.920 42.059 -0.157 0.000 0.963 216 L HN 0.528 nan 8.230 nan 0.000 0.459 217 K N -0.657 119.687 120.400 -0.093 0.000 2.572 217 K HA 0.111 4.430 4.320 -0.002 0.000 0.263 217 K C -1.515 175.049 176.600 -0.060 0.000 0.932 217 K CA -0.609 55.642 56.287 -0.060 0.000 0.838 217 K CB 1.494 33.970 32.500 -0.040 0.000 1.366 217 K HN -0.231 nan 8.250 nan 0.000 0.425 218 D N 2.630 123.004 120.400 -0.042 0.000 2.374 218 D HA 0.064 4.703 4.640 -0.002 0.000 0.240 218 D C 0.318 176.603 176.300 -0.024 0.000 1.229 218 D CA 0.054 54.030 54.000 -0.039 0.000 0.895 218 D CB 0.945 41.726 40.800 -0.032 0.000 1.046 218 D HN 0.577 nan 8.370 nan 0.000 0.498 219 T N -0.716 113.824 114.554 -0.024 0.000 3.092 219 T HA -0.004 4.345 4.350 -0.002 0.000 0.258 219 T C 1.696 176.397 174.700 0.003 0.000 1.031 219 T CA 0.218 62.316 62.100 -0.003 0.000 0.925 219 T CB -0.185 68.683 68.868 -0.001 0.000 1.036 219 T HN 0.211 nan 8.240 nan 0.000 0.544 220 S N 2.068 117.763 115.700 -0.008 0.000 2.440 220 S HA -0.107 4.362 4.470 -0.002 0.000 0.240 220 S C 1.654 176.260 174.600 0.010 0.000 1.014 220 S CA 0.707 58.903 58.200 -0.006 0.000 0.980 220 S CB -0.516 62.673 63.200 -0.017 0.000 0.775 220 S HN 0.562 nan 8.310 nan 0.000 0.499 221 K N 0.777 121.190 120.400 0.022 0.000 2.374 221 K HA 0.207 4.525 4.320 -0.002 0.000 0.196 221 K C 0.085 176.725 176.600 0.068 0.000 1.023 221 K CA 0.013 56.327 56.287 0.045 0.000 1.103 221 K CB 0.248 32.776 32.500 0.045 0.000 0.848 221 K HN 0.565 nan 8.250 nan 0.000 0.528 222 Q N 0.688 120.522 119.800 0.055 0.000 2.257 222 Q HA 0.202 4.540 4.340 -0.002 0.000 0.255 222 Q C -0.771 175.260 176.000 0.052 0.000 0.920 222 Q CA -0.102 55.746 55.803 0.076 0.000 0.927 222 Q CB 1.926 30.709 28.738 0.074 0.000 1.229 222 Q HN -0.109 nan 8.270 nan 0.000 0.433 223 T N 1.615 116.212 114.554 0.071 0.000 2.823 223 T HA 0.382 4.731 4.350 -0.002 0.000 0.279 223 T C -0.437 174.228 174.700 -0.058 0.000 0.998 223 T CA -0.545 61.520 62.100 -0.058 0.000 0.994 223 T CB 1.306 70.089 68.868 -0.142 0.000 0.960 223 T HN 0.242 nan 8.240 nan 0.000 0.448 224 V N 4.141 123.980 119.914 -0.126 0.000 2.383 224 V HA 0.379 4.497 4.120 -0.002 0.000 0.275 224 V C -1.096 174.940 176.094 -0.096 0.000 1.036 224 V CA -0.654 61.637 62.300 -0.016 0.000 0.889 224 V CB 0.304 32.124 31.823 -0.004 0.000 0.985 224 V HN 0.792 nan 8.190 nan 0.000 0.459 225 Y N 2.888 123.283 120.300 0.159 0.000 2.328 225 Y HA 0.679 5.228 4.550 -0.002 0.000 0.336 225 Y C 0.398 176.397 175.900 0.164 0.000 0.960 225 Y CA -0.589 57.610 58.100 0.166 0.000 1.134 225 Y CB 1.883 40.544 38.460 0.336 0.000 1.166 225 Y HN 0.657 nan 8.280 nan 0.000 0.464 226 A N 4.601 127.498 122.820 0.128 0.000 2.256 226 A HA 0.635 4.953 4.320 -0.002 0.000 0.317 226 A C -1.404 176.093 177.584 -0.145 0.000 1.318 226 A CA -0.476 51.537 52.037 -0.040 0.000 0.894 226 A CB -0.221 18.524 19.000 -0.424 0.000 1.165 226 A HN 0.618 nan 8.150 nan 0.000 0.525 227 F N 3.109 123.081 119.950 0.037 0.000 2.390 227 F HA 0.499 5.024 4.527 -0.002 0.000 0.361 227 F C 0.147 175.944 175.800 -0.004 0.000 1.124 227 F CA -0.001 58.019 58.000 0.034 0.000 1.149 227 F CB 0.958 40.052 39.000 0.157 0.000 1.160 227 F HN 0.396 nan 8.300 nan 0.000 0.501 228 L N 2.325 123.532 121.223 -0.027 0.000 2.303 228 L HA 0.845 5.184 4.340 -0.002 0.000 0.266 228 L C 0.538 177.408 176.870 0.001 0.000 1.011 228 L CA -1.164 53.648 54.840 -0.047 0.000 0.818 228 L CB 1.538 43.473 42.059 -0.207 0.000 1.326 228 L HN 0.575 nan 8.230 nan 0.000 0.435 229 G N -0.851 107.966 108.800 0.028 0.000 2.437 229 G HA2 0.358 4.317 3.960 -0.002 0.000 0.319 229 G HA3 0.358 4.317 3.960 -0.002 0.000 0.319 229 G C -0.009 174.896 174.900 0.008 0.000 1.158 229 G CA -0.295 44.837 45.100 0.054 0.000 0.899 229 G HN 0.795 nan 8.290 nan 0.000 0.502 230 D N 0.036 120.442 120.400 0.010 0.000 2.224 230 D HA -0.037 4.602 4.640 -0.002 0.000 0.205 230 D C 2.110 178.410 176.300 0.001 0.000 0.965 230 D CA 1.055 55.048 54.000 -0.010 0.000 0.852 230 D CB -0.542 40.252 40.800 -0.010 0.000 0.947 230 D HN 0.474 nan 8.370 nan 0.000 0.494 231 G N 0.562 109.369 108.800 0.013 0.000 2.421 231 G HA2 -0.279 3.679 3.960 -0.002 0.000 0.217 231 G HA3 -0.279 3.679 3.960 -0.002 0.000 0.217 231 G C 1.435 176.333 174.900 -0.004 0.000 1.143 231 G CA 0.609 45.709 45.100 0.000 0.000 0.784 231 G HN 0.476 nan 8.290 nan 0.000 0.541 232 E N -0.029 120.174 120.200 0.005 0.000 2.204 232 E HA -0.125 4.224 4.350 -0.002 0.000 0.195 232 E C 2.098 178.695 176.600 -0.004 0.000 0.990 232 E CA 0.691 57.092 56.400 0.001 0.000 0.821 232 E CB -0.138 29.570 29.700 0.013 0.000 0.750 232 E HN 0.248 nan 8.360 nan 0.000 0.477 233 M N 1.306 120.904 119.600 -0.003 0.000 2.629 233 M HA -0.083 4.396 4.480 -0.002 0.000 0.257 233 M C 0.919 177.226 176.300 0.013 0.000 1.071 233 M CA 0.864 56.172 55.300 0.013 0.000 1.077 233 M CB -0.486 32.129 32.600 0.025 0.000 1.423 233 M HN 0.117 nan 8.290 nan 0.000 0.508 234 D N 0.576 120.977 120.400 0.002 0.000 2.224 234 D HA -0.045 4.593 4.640 -0.002 0.000 0.205 234 D C 0.456 176.753 176.300 -0.005 0.000 0.965 234 D CA 0.557 54.555 54.000 -0.003 0.000 0.852 234 D CB 0.177 40.972 40.800 -0.008 0.000 0.947 234 D HN 0.327 nan 8.370 nan 0.000 0.494 235 E N 1.275 121.473 120.200 -0.003 0.000 2.417 235 E HA -0.005 4.343 4.350 -0.002 0.000 0.261 235 E C -1.609 174.990 176.600 -0.002 0.000 1.000 235 E CA -1.306 55.092 56.400 -0.003 0.000 0.919 235 E CB 0.958 30.658 29.700 0.000 0.000 0.955 235 E HN 0.072 nan 8.360 nan 0.000 0.455 236 P HA -0.163 nan 4.420 nan 0.000 0.220 236 P C 0.594 177.891 177.300 -0.006 0.000 1.144 236 P CA 1.179 64.272 63.100 -0.012 0.000 0.800 236 P CB 0.374 32.065 31.700 -0.015 0.000 0.772 237 E N -1.180 119.023 120.200 0.004 0.000 2.208 237 E HA -0.055 4.294 4.350 -0.002 0.000 0.193 237 E C 1.991 178.616 176.600 0.041 0.000 0.988 237 E CA 0.887 57.298 56.400 0.019 0.000 0.828 237 E CB -0.715 28.996 29.700 0.018 0.000 0.763 237 E HN 0.196 nan 8.360 nan 0.000 0.478 238 S N 0.528 116.247 115.700 0.033 0.000 2.368 238 S HA -0.051 4.417 4.470 -0.002 0.000 0.224 238 S C 1.523 176.185 174.600 0.102 0.000 1.029 238 S CA 1.106 59.342 58.200 0.059 0.000 0.988 238 S CB 0.014 63.233 63.200 0.032 0.000 0.838 238 S HN 0.166 nan 8.310 nan 0.000 0.462 239 K N 0.200 120.608 120.400 0.012 0.000 2.380 239 K HA 0.203 4.521 4.320 -0.002 0.000 0.198 239 K C 1.919 178.436 176.600 -0.139 0.000 1.070 239 K CA 0.306 56.522 56.287 -0.119 0.000 1.040 239 K CB 0.234 32.637 32.500 -0.161 0.000 0.903 239 K HN 0.320 nan 8.250 nan 0.000 0.549 240 G N 1.053 109.819 108.800 -0.056 0.000 2.535 240 G HA2 -0.165 3.793 3.960 -0.002 0.000 0.218 240 G HA3 -0.165 3.793 3.960 -0.002 0.000 0.218 240 G C 1.056 175.942 174.900 -0.023 0.000 1.122 240 G CA 0.913 45.986 45.100 -0.045 0.000 0.769 240 G HN 0.287 nan 8.290 nan 0.000 0.549 241 A N 0.177 123.000 122.820 0.006 0.000 2.603 241 A HA 0.400 4.719 4.320 -0.002 0.000 0.277 241 A C 1.788 179.387 177.584 0.025 0.000 1.158 241 A CA 0.152 52.222 52.037 0.055 0.000 0.962 241 A CB -0.079 19.035 19.000 0.190 0.000 1.189 241 A HN 0.471 nan 8.150 nan 0.000 0.552 242 I N -1.803 118.728 120.570 -0.065 0.000 2.567 242 I HA -0.128 4.041 4.170 -0.002 0.000 0.257 242 I C 1.969 178.185 176.117 0.165 0.000 1.184 242 I CA 1.927 63.213 61.300 -0.024 0.000 1.451 242 I CB -0.835 36.777 38.000 -0.646 0.000 1.089 242 I HN 0.222 nan 8.210 nan 0.000 0.441 243 T N -0.808 113.755 114.554 0.015 0.000 3.035 243 T HA 0.050 4.398 4.350 -0.002 0.000 0.268 243 T C 1.756 176.448 174.700 -0.014 0.000 1.109 243 T CA 0.512 62.623 62.100 0.018 0.000 1.119 243 T CB -0.379 68.472 68.868 -0.028 0.000 0.900 243 T HN 0.299 nan 8.240 nan 0.000 0.503 244 I N 2.002 122.553 120.570 -0.031 0.000 2.439 244 I HA 0.123 4.292 4.170 -0.002 0.000 0.251 244 I C 2.956 178.976 176.117 -0.161 0.000 1.139 244 I CA 0.597 61.837 61.300 -0.098 0.000 1.438 244 I CB -1.724 36.185 38.000 -0.150 0.000 1.085 244 I HN 0.382 nan 8.210 nan 0.000 0.427 245 A N 0.258 122.983 122.820 -0.158 0.000 2.015 245 A HA -0.137 4.182 4.320 -0.002 0.000 0.219 245 A C 2.412 179.773 177.584 -0.371 0.000 1.163 245 A CA 1.992 53.830 52.037 -0.332 0.000 0.646 245 A CB -0.768 17.916 19.000 -0.528 0.000 0.806 245 A HN 0.386 nan 8.150 nan 0.000 0.448 246 T N -0.700 113.706 114.554 -0.247 0.000 2.852 246 T HA -0.039 4.309 4.350 -0.002 0.000 0.256 246 T C 2.071 176.680 174.700 -0.152 0.000 1.038 246 T CA 1.057 63.032 62.100 -0.209 0.000 1.141 246 T CB -0.172 68.634 68.868 -0.104 0.000 0.869 246 T HN 0.496 nan 8.240 nan 0.000 0.439 247 R N 1.217 121.646 120.500 -0.118 0.000 2.096 247 R HA -0.074 4.264 4.340 -0.002 0.000 0.240 247 R C 2.055 178.284 176.300 -0.117 0.000 1.139 247 R CA 1.231 57.272 56.100 -0.098 0.000 0.952 247 R CB -0.160 30.092 30.300 -0.080 0.000 0.854 247 R HN 0.362 nan 8.270 nan 0.000 0.436 248 E N 0.729 120.845 120.200 -0.140 0.000 2.489 248 E HA -0.001 4.348 4.350 -0.002 0.000 0.193 248 E C -0.225 176.290 176.600 -0.142 0.000 1.057 248 E CA 0.074 56.392 56.400 -0.138 0.000 0.866 248 E CB 0.214 29.837 29.700 -0.128 0.000 0.916 248 E HN 0.222 nan 8.360 nan 0.000 0.500 249 K N 0.866 121.163 120.400 -0.171 0.000 3.689 249 K HA -0.172 4.147 4.320 -0.002 0.000 0.276 249 K C -0.345 176.138 176.600 -0.195 0.000 0.932 249 K CA 0.137 56.316 56.287 -0.181 0.000 0.758 249 K CB -1.755 30.673 32.500 -0.120 0.000 1.500 249 K HN 0.171 nan 8.250 nan 0.000 0.448 250 L N 2.089 123.147 121.223 -0.275 0.000 2.391 250 L HA 0.040 4.379 4.340 -0.002 0.000 0.249 250 L C 0.959 177.647 176.870 -0.303 0.000 1.308 250 L CA -0.284 54.396 54.840 -0.265 0.000 1.209 250 L CB -0.316 41.560 42.059 -0.305 0.000 1.401 250 L HN 0.303 nan 8.230 nan 0.000 0.416 251 D N -0.923 119.343 120.400 -0.223 0.000 2.358 251 D HA -0.127 4.512 4.640 -0.002 0.000 0.241 251 D C 1.012 177.204 176.300 -0.180 0.000 1.094 251 D CA 0.141 54.014 54.000 -0.212 0.000 0.907 251 D CB -0.146 40.562 40.800 -0.152 0.000 0.893 251 D HN 0.436 nan 8.370 nan 0.000 0.528 252 N N 0.068 118.662 118.700 -0.177 0.000 2.204 252 N HA 0.087 4.825 4.740 -0.002 0.000 0.219 252 N C -0.297 175.099 175.510 -0.190 0.000 1.151 252 N CA -0.465 52.497 53.050 -0.147 0.000 0.867 252 N CB 0.308 38.744 38.487 -0.085 0.000 1.043 252 N HN 0.245 nan 8.380 nan 0.000 0.516 253 L N 0.364 121.440 121.223 -0.245 0.000 2.365 253 L HA 0.681 5.020 4.340 -0.002 0.000 0.273 253 L C -1.378 175.347 176.870 -0.241 0.000 1.000 253 L CA -0.816 53.886 54.840 -0.230 0.000 0.819 253 L CB 2.222 44.134 42.059 -0.245 0.000 1.284 253 L HN -0.140 nan 8.230 nan 0.000 0.418 254 V N 5.035 124.861 119.914 -0.146 0.000 2.525 254 V HA 0.460 4.578 4.120 -0.002 0.000 0.299 254 V C -0.896 175.325 176.094 0.213 0.000 1.034 254 V CA -0.418 61.841 62.300 -0.068 0.000 0.863 254 V CB 1.476 33.160 31.823 -0.231 0.000 0.999 254 V HN 0.513 nan 8.190 nan 0.000 0.423 255 F N 3.798 123.743 119.950 -0.008 0.000 2.410 255 F HA 0.620 5.146 4.527 -0.002 0.000 0.349 255 F C 0.183 175.813 175.800 -0.285 0.000 1.117 255 F CA -1.123 56.821 58.000 -0.094 0.000 1.104 255 F CB 1.962 40.921 39.000 -0.068 0.000 1.122 255 F HN 0.181 nan 8.300 nan 0.000 0.483 256 V N 6.372 126.108 119.914 -0.297 0.000 2.325 256 V HA 0.352 4.470 4.120 -0.002 0.000 0.280 256 V C 0.019 175.908 176.094 -0.342 0.000 1.016 256 V CA -0.602 61.436 62.300 -0.437 0.000 0.818 256 V CB 1.074 32.406 31.823 -0.819 0.000 1.019 256 V HN 0.450 nan 8.190 nan 0.000 0.434 257 I N 3.911 124.314 120.570 -0.278 0.000 2.304 257 I HA 0.321 4.490 4.170 -0.002 0.000 0.291 257 I C 0.365 176.390 176.117 -0.152 0.000 1.018 257 I CA -0.387 60.786 61.300 -0.212 0.000 1.260 257 I CB 1.101 38.955 38.000 -0.244 0.000 1.390 257 I HN 0.461 nan 8.210 nan 0.000 0.475 258 N N 6.511 125.164 118.700 -0.078 0.000 2.421 258 N HA 0.070 4.809 4.740 -0.002 0.000 0.260 258 N C -0.626 174.862 175.510 -0.037 0.000 1.173 258 N CA -0.255 52.769 53.050 -0.044 0.000 0.960 258 N CB 0.294 38.799 38.487 0.031 0.000 1.273 258 N HN 0.554 nan 8.380 nan 0.000 0.497 259 C N 4.105 123.366 119.300 -0.065 0.000 2.400 259 C HA 0.174 4.633 4.460 -0.002 0.000 0.457 259 C C 1.314 176.322 174.990 0.031 0.000 1.020 259 C CA -0.894 58.104 59.018 -0.032 0.000 1.258 259 C CB -1.980 25.710 27.740 -0.083 0.000 1.532 259 C HN 0.680 nan 8.230 nan 0.000 0.537 260 N N 1.158 119.884 118.700 0.043 0.000 2.268 260 N HA 0.086 4.824 4.740 -0.002 0.000 0.204 260 N C 0.847 176.413 175.510 0.093 0.000 1.124 260 N CA -0.215 52.877 53.050 0.069 0.000 0.838 260 N CB -0.464 38.078 38.487 0.092 0.000 0.994 260 N HN 0.664 nan 8.380 nan 0.000 0.489 261 L N -2.901 118.374 121.223 0.085 0.000 5.144 261 L HA -0.338 4.000 4.340 -0.002 0.000 0.440 261 L C -0.499 176.416 176.870 0.074 0.000 1.049 261 L CA 1.366 56.257 54.840 0.085 0.000 1.070 261 L CB -1.740 40.392 42.059 0.121 0.000 1.866 261 L HN 0.368 nan 8.230 nan 0.000 0.743 262 Q N -0.481 119.367 119.800 0.081 0.000 2.387 262 Q HA 0.660 4.999 4.340 -0.002 0.000 0.273 262 Q C 0.141 176.178 176.000 0.062 0.000 1.089 262 Q CA -0.798 55.050 55.803 0.076 0.000 0.824 262 Q CB 2.278 31.077 28.738 0.103 0.000 1.367 262 Q HN 0.263 nan 8.270 nan 0.000 0.443 263 R N 0.567 121.080 120.500 0.022 0.000 2.893 263 R HA 0.450 4.789 4.340 -0.002 0.000 0.159 263 R C 1.067 177.291 176.300 -0.127 0.000 1.366 263 R CA -0.775 55.298 56.100 -0.045 0.000 0.929 263 R CB -0.221 30.044 30.300 -0.058 0.000 1.796 263 R HN 0.535 nan 8.270 nan 0.000 0.464 264 L N 0.234 121.314 121.223 -0.238 0.000 2.130 264 L HA 0.039 4.377 4.340 -0.002 0.000 0.200 264 L C 1.537 178.380 176.870 -0.044 0.000 1.075 264 L CA 1.385 56.060 54.840 -0.275 0.000 0.768 264 L CB -0.183 41.675 42.059 -0.336 0.000 0.933 264 L HN 0.481 nan 8.230 nan 0.000 0.451 265 D N -0.090 120.289 120.400 -0.035 0.000 2.123 265 D HA 0.083 4.722 4.640 -0.002 0.000 0.200 265 D C 0.908 177.219 176.300 0.018 0.000 0.976 265 D CA 1.362 55.363 54.000 0.002 0.000 0.831 265 D CB 0.308 41.105 40.800 -0.004 0.000 0.974 265 D HN 0.548 nan 8.370 nan 0.000 0.469 266 G N -0.847 107.961 108.800 0.013 0.000 2.588 266 G HA2 0.310 4.269 3.960 -0.002 0.000 0.281 266 G HA3 0.310 4.269 3.960 -0.002 0.000 0.281 266 G C -2.834 172.082 174.900 0.026 0.000 1.223 266 G CA -0.686 44.429 45.100 0.025 0.000 0.871 266 G HN -0.170 nan 8.290 nan 0.000 0.492 267 P HA 0.289 nan 4.420 nan 0.000 0.275 267 P C 1.235 178.548 177.300 0.022 0.000 1.228 267 P CA -0.199 62.921 63.100 0.033 0.000 0.786 267 P CB 1.842 33.563 31.700 0.034 0.000 0.927 268 V N 1.956 121.884 119.914 0.024 0.000 2.231 268 V HA -0.162 3.956 4.120 -0.002 0.000 0.248 268 V C 1.382 177.483 176.094 0.012 0.000 1.054 268 V CA 2.815 65.123 62.300 0.014 0.000 1.015 268 V CB -1.512 30.320 31.823 0.015 0.000 0.638 268 V HN 0.841 nan 8.190 nan 0.000 0.444 269 T N -2.919 111.645 114.554 0.017 0.000 3.201 269 T HA 0.481 4.830 4.350 -0.002 0.000 0.338 269 T C 0.805 175.517 174.700 0.020 0.000 1.095 269 T CA 0.137 62.246 62.100 0.014 0.000 1.426 269 T CB 0.688 69.562 68.868 0.011 0.000 0.956 269 T HN 0.317 nan 8.240 nan 0.000 0.551 270 G N 2.195 111.006 108.800 0.018 0.000 2.450 270 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.220 270 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.220 270 G C 1.368 176.274 174.900 0.010 0.000 1.130 270 G CA 0.296 45.406 45.100 0.018 0.000 0.760 270 G HN 0.593 nan 8.290 nan 0.000 0.557 271 N N 0.889 119.592 118.700 0.006 0.000 2.515 271 N HA 0.072 4.811 4.740 -0.002 0.000 0.185 271 N C 1.229 176.741 175.510 0.002 0.000 1.109 271 N CA 0.830 53.881 53.050 0.001 0.000 0.903 271 N CB 0.501 38.988 38.487 0.000 0.000 0.969 271 N HN 0.395 nan 8.380 nan 0.000 0.450 272 G N -0.189 108.615 108.800 0.007 0.000 3.259 272 G HA2 0.555 4.514 3.960 -0.002 0.000 0.178 272 G HA3 0.555 4.514 3.960 -0.002 0.000 0.178 272 G C -1.146 173.758 174.900 0.008 0.000 1.129 272 G CA -0.409 44.693 45.100 0.004 0.000 0.816 272 G HN -0.013 nan 8.290 nan 0.000 0.634 273 K N 0.703 121.105 120.400 0.002 0.000 2.740 273 K HA 0.235 4.554 4.320 -0.002 0.000 0.246 273 K C 0.573 177.184 176.600 0.018 0.000 1.021 273 K CA -0.389 55.900 56.287 0.004 0.000 1.021 273 K CB 1.725 34.193 32.500 -0.054 0.000 1.233 273 K HN 0.393 nan 8.250 nan 0.000 0.497 274 I N -0.257 120.324 120.570 0.018 0.000 2.361 274 I HA -0.218 3.951 4.170 -0.002 0.000 0.251 274 I C 1.738 177.849 176.117 -0.010 0.000 1.133 274 I CA 1.195 62.498 61.300 0.005 0.000 1.413 274 I CB -0.502 37.499 38.000 0.000 0.000 1.073 274 I HN 0.534 nan 8.210 nan 0.000 0.424 275 I N 1.216 121.778 120.570 -0.014 0.000 2.208 275 I HA -0.274 3.895 4.170 -0.002 0.000 0.245 275 I C 2.208 178.307 176.117 -0.029 0.000 1.097 275 I CA 1.490 62.750 61.300 -0.067 0.000 1.363 275 I CB -0.524 37.392 38.000 -0.141 0.000 1.051 275 I HN 0.322 nan 8.210 nan 0.000 0.413 276 N N 0.608 119.333 118.700 0.042 0.000 2.171 276 N HA -0.207 4.532 4.740 -0.002 0.000 0.184 276 N C 1.714 177.233 175.510 0.016 0.000 1.021 276 N CA 1.265 54.339 53.050 0.039 0.000 0.854 276 N CB -0.294 38.228 38.487 0.058 0.000 0.994 276 N HN 0.459 nan 8.380 nan 0.000 0.426 277 E N 0.335 120.543 120.200 0.013 0.000 2.085 277 E HA -0.163 4.185 4.350 -0.002 0.000 0.194 277 E C 1.499 178.116 176.600 0.028 0.000 0.994 277 E CA 0.874 57.282 56.400 0.013 0.000 0.801 277 E CB -0.077 29.628 29.700 0.009 0.000 0.743 277 E HN 0.026 nan 8.360 nan 0.000 0.453 278 L N 1.739 122.978 121.223 0.026 0.000 2.017 278 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 278 L C 2.493 179.420 176.870 0.096 0.000 1.073 278 L CA 2.208 57.090 54.840 0.069 0.000 0.745 278 L CB -1.293 40.732 42.059 -0.057 0.000 0.894 278 L HN 0.369 nan 8.230 nan 0.000 0.432 279 E N -0.775 119.427 120.200 0.002 0.000 2.058 279 E HA -0.201 4.147 4.350 -0.002 0.000 0.194 279 E C 2.152 178.777 176.600 0.042 0.000 0.997 279 E CA 1.306 57.705 56.400 -0.001 0.000 0.801 279 E CB -0.335 29.344 29.700 -0.034 0.000 0.746 279 E HN 0.453 nan 8.360 nan 0.000 0.450 280 G N 1.610 110.427 108.800 0.028 0.000 2.446 280 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.217 280 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.217 280 G C 1.632 176.537 174.900 0.007 0.000 1.168 280 G CA 0.935 46.045 45.100 0.016 0.000 0.771 280 G HN 0.418 nan 8.290 nan 0.000 0.551 281 I N -1.236 119.337 120.570 0.005 0.000 2.406 281 I HA 0.052 4.221 4.170 -0.002 0.000 0.249 281 I C 2.321 178.340 176.117 -0.164 0.000 1.122 281 I CA 0.714 61.966 61.300 -0.079 0.000 1.431 281 I CB 0.036 37.964 38.000 -0.120 0.000 1.087 281 I HN 0.140 nan 8.210 nan 0.000 0.424 282 F N 1.282 121.115 119.950 -0.195 0.000 2.186 282 F HA -0.194 4.332 4.527 -0.002 0.000 0.299 282 F C 2.473 178.218 175.800 -0.091 0.000 1.090 282 F CA 1.618 59.445 58.000 -0.289 0.000 1.307 282 F CB -0.397 38.378 39.000 -0.374 0.000 1.019 282 F HN 0.129 nan 8.300 nan 0.000 0.489 283 E N 0.277 120.544 120.200 0.113 0.000 2.072 283 E HA -0.098 4.250 4.350 -0.002 0.000 0.191 283 E C 2.461 179.087 176.600 0.043 0.000 0.985 283 E CA 1.511 57.961 56.400 0.083 0.000 0.801 283 E CB -0.900 28.828 29.700 0.047 0.000 0.750 283 E HN 0.245 nan 8.360 nan 0.000 0.452 284 G N -0.038 108.762 108.800 0.001 0.000 2.448 284 G HA2 -0.171 3.787 3.960 -0.002 0.000 0.219 284 G HA3 -0.171 3.787 3.960 -0.002 0.000 0.219 284 G C 1.469 176.353 174.900 -0.025 0.000 1.127 284 G CA 0.706 45.794 45.100 -0.021 0.000 0.766 284 G HN 0.418 nan 8.290 nan 0.000 0.552 285 A N -0.333 122.463 122.820 -0.039 0.000 2.278 285 A HA 0.483 4.802 4.320 -0.002 0.000 0.212 285 A C 1.930 179.589 177.584 0.126 0.000 1.213 285 A CA 1.180 53.210 52.037 -0.011 0.000 0.840 285 A CB -0.464 18.450 19.000 -0.143 0.000 0.866 285 A HN 1.538 nan 8.150 nan 0.000 0.489 286 G N -2.559 106.311 108.800 0.117 0.000 2.141 286 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.242 286 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.242 286 G C -0.130 174.857 174.900 0.145 0.000 0.982 286 G CA 0.132 45.289 45.100 0.095 0.000 0.662 286 G HN 0.378 nan 8.290 nan 0.000 0.527 287 W N 0.372 121.640 121.300 -0.054 0.000 2.183 287 W HA 0.612 5.271 4.660 -0.002 0.000 0.348 287 W C 0.564 177.056 176.519 -0.045 0.000 1.257 287 W CA -0.784 56.537 57.345 -0.041 0.000 1.324 287 W CB 0.427 29.924 29.460 0.062 0.000 1.144 287 W HN 0.187 nan 8.180 nan 0.000 0.622 288 N N 0.977 119.759 118.700 0.137 0.000 2.420 288 N HA 0.306 5.045 4.740 -0.002 0.000 0.249 288 N C -1.582 173.960 175.510 0.053 0.000 1.033 288 N CA -0.121 52.951 53.050 0.037 0.000 0.944 288 N CB 0.608 39.064 38.487 -0.050 0.000 1.113 288 N HN 0.115 nan 8.380 nan 0.000 0.502 289 V N 5.236 125.165 119.914 0.024 0.000 2.439 289 V HA 0.435 4.554 4.120 -0.002 0.000 0.282 289 V C 0.313 176.351 176.094 -0.094 0.000 1.039 289 V CA -0.595 61.682 62.300 -0.039 0.000 0.913 289 V CB 0.882 32.688 31.823 -0.030 0.000 0.983 289 V HN 0.571 nan 8.190 nan 0.000 0.460 290 I N 4.901 125.380 120.570 -0.151 0.000 2.439 290 I HA 0.414 4.583 4.170 -0.002 0.000 0.283 290 I C -0.222 175.765 176.117 -0.216 0.000 1.023 290 I CA -0.648 60.548 61.300 -0.173 0.000 1.100 290 I CB 1.637 39.516 38.000 -0.201 0.000 1.238 290 I HN 0.494 nan 8.210 nan 0.000 0.445 291 K N 5.289 125.562 120.400 -0.211 0.000 2.248 291 K HA 0.459 4.777 4.320 -0.002 0.000 0.281 291 K C -0.636 175.794 176.600 -0.282 0.000 1.054 291 K CA -0.427 55.694 56.287 -0.276 0.000 0.903 291 K CB 1.874 34.192 32.500 -0.303 0.000 1.077 291 K HN 0.319 nan 8.250 nan 0.000 0.474 292 V N 5.847 125.580 119.914 -0.303 0.000 2.220 292 V HA 0.062 4.180 4.120 -0.002 0.000 0.265 292 V C 0.694 176.572 176.094 -0.361 0.000 1.078 292 V CA -0.359 61.785 62.300 -0.260 0.000 0.872 292 V CB 0.508 32.214 31.823 -0.196 0.000 1.121 292 V HN 0.827 nan 8.190 nan 0.000 0.460 293 M N 1.382 120.664 119.600 -0.531 0.000 2.171 293 M HA 0.190 4.669 4.480 -0.002 0.000 0.260 293 M C 0.387 176.107 176.300 -0.967 0.000 1.087 293 M CA 1.291 55.983 55.300 -1.013 0.000 1.154 293 M CB -0.215 31.492 32.600 -1.488 0.000 1.331 293 M HN 0.512 nan 8.290 nan 0.000 0.431 294 W N -0.246 120.951 121.300 -0.173 0.000 2.761 294 W HA 0.636 5.295 4.660 -0.002 0.000 0.340 294 W C 0.610 177.181 176.519 0.085 0.000 1.072 294 W CA -1.255 56.005 57.345 -0.142 0.000 1.215 294 W CB 0.593 29.756 29.460 -0.494 0.000 1.420 294 W HN 0.144 nan 8.180 nan 0.000 0.519 295 G N 0.213 109.333 108.800 0.534 0.000 2.588 295 G HA2 0.197 4.156 3.960 -0.002 0.000 0.278 295 G HA3 0.197 4.156 3.960 -0.002 0.000 0.278 295 G C 0.652 175.796 174.900 0.407 0.000 1.307 295 G CA -0.459 44.876 45.100 0.391 0.000 1.016 295 G HN 0.522 nan 8.290 nan 0.000 0.503 296 S N -0.797 115.062 115.700 0.265 0.000 2.399 296 S HA -0.121 4.348 4.470 -0.002 0.000 0.231 296 S C 2.316 177.053 174.600 0.228 0.000 1.022 296 S CA 0.978 59.308 58.200 0.217 0.000 0.983 296 S CB -0.189 63.092 63.200 0.135 0.000 0.803 296 S HN 0.543 nan 8.310 nan 0.000 0.480 297 R N -0.500 120.129 120.500 0.216 0.000 2.200 297 R HA -0.091 4.248 4.340 -0.002 0.000 0.234 297 R C 1.470 177.872 176.300 0.170 0.000 1.127 297 R CA 1.270 57.450 56.100 0.133 0.000 0.989 297 R CB -0.133 30.196 30.300 0.047 0.000 0.869 297 R HN 0.511 nan 8.270 nan 0.000 0.459 298 W N -0.001 121.422 121.300 0.204 0.000 2.737 298 W HA 0.009 4.668 4.660 -0.002 0.000 0.262 298 W C 1.492 178.104 176.519 0.154 0.000 1.282 298 W CA -0.000 57.444 57.345 0.166 0.000 1.386 298 W CB 0.182 29.704 29.460 0.103 0.000 1.099 298 W HN 0.021 nan 8.180 nan 0.000 0.621 299 D N 0.772 121.395 120.400 0.373 0.000 2.158 299 D HA -0.247 4.392 4.640 -0.002 0.000 0.197 299 D C 1.856 178.285 176.300 0.215 0.000 0.995 299 D CA 2.110 56.266 54.000 0.260 0.000 0.846 299 D CB -0.435 40.487 40.800 0.203 0.000 0.941 299 D HN 0.434 nan 8.370 nan 0.000 0.456 300 E N 0.401 120.730 120.200 0.215 0.000 2.076 300 E HA -0.114 4.234 4.350 -0.002 0.000 0.190 300 E C 2.004 178.737 176.600 0.222 0.000 0.979 300 E CA 0.488 57.004 56.400 0.192 0.000 0.807 300 E CB -0.642 29.162 29.700 0.173 0.000 0.761 300 E HN 0.104 nan 8.360 nan 0.000 0.454 301 L N 0.110 121.498 121.223 0.274 0.000 2.275 301 L HA 0.076 4.415 4.340 -0.002 0.000 0.215 301 L C 2.005 178.981 176.870 0.177 0.000 1.119 301 L CA 1.316 56.270 54.840 0.190 0.000 0.790 301 L CB -0.185 41.914 42.059 0.068 0.000 0.919 301 L HN 0.296 nan 8.230 nan 0.000 0.443 302 L N -1.629 119.723 121.223 0.215 0.000 2.307 302 L HA -0.009 4.330 4.340 -0.002 0.000 0.211 302 L C 2.597 179.544 176.870 0.129 0.000 1.099 302 L CA 0.548 55.494 54.840 0.177 0.000 0.816 302 L CB -0.211 41.965 42.059 0.194 0.000 0.952 302 L HN 0.154 nan 8.230 nan 0.000 0.455 303 R N 1.125 121.703 120.500 0.129 0.000 2.115 303 R HA -0.115 4.223 4.340 -0.002 0.000 0.226 303 R C 1.376 177.726 176.300 0.083 0.000 1.100 303 R CA 0.992 57.152 56.100 0.099 0.000 0.980 303 R CB 0.142 30.501 30.300 0.099 0.000 0.875 303 R HN 0.271 nan 8.270 nan 0.000 0.445 304 K N -0.239 120.215 120.400 0.090 0.000 2.708 304 K HA 0.071 4.390 4.320 -0.002 0.000 0.219 304 K C -0.854 175.778 176.600 0.054 0.000 1.068 304 K CA -0.014 56.316 56.287 0.071 0.000 1.212 304 K CB 0.304 32.855 32.500 0.084 0.000 0.978 304 K HN -0.126 nan 8.250 nan 0.000 0.475 305 D N 1.276 121.708 120.400 0.054 0.000 2.434 305 D HA 0.055 4.694 4.640 -0.002 0.000 0.275 305 D C 0.460 176.778 176.300 0.029 0.000 1.172 305 D CA -0.418 53.605 54.000 0.039 0.000 0.916 305 D CB 1.056 41.888 40.800 0.052 0.000 1.041 305 D HN 0.247 nan 8.370 nan 0.000 0.501 306 T N -1.507 113.059 114.554 0.021 0.000 3.085 306 T HA -0.092 4.256 4.350 -0.002 0.000 0.263 306 T C 1.737 176.439 174.700 0.003 0.000 1.127 306 T CA 0.715 62.824 62.100 0.015 0.000 1.103 306 T CB -0.091 68.786 68.868 0.015 0.000 0.921 306 T HN 0.259 nan 8.240 nan 0.000 0.510 307 S N 0.761 116.457 115.700 -0.007 0.000 2.558 307 S HA 0.373 4.842 4.470 -0.002 0.000 0.217 307 S C 2.069 176.646 174.600 -0.037 0.000 0.975 307 S CA 0.254 58.439 58.200 -0.025 0.000 0.912 307 S CB -0.724 62.454 63.200 -0.036 0.000 0.776 307 S HN 0.852 nan 8.310 nan 0.000 0.526 308 G N 1.870 110.657 108.800 -0.021 0.000 2.180 308 G HA2 -0.418 3.541 3.960 -0.002 0.000 0.263 308 G HA3 -0.418 3.541 3.960 -0.002 0.000 0.263 308 G C 0.831 175.694 174.900 -0.061 0.000 0.989 308 G CA 0.878 45.965 45.100 -0.022 0.000 0.692 308 G HN 0.620 nan 8.290 nan 0.000 0.526 309 K N -0.007 120.335 120.400 -0.097 0.000 2.103 309 K HA 0.164 4.483 4.320 -0.002 0.000 0.204 309 K C 2.300 178.801 176.600 -0.166 0.000 1.052 309 K CA 1.649 57.814 56.287 -0.203 0.000 0.945 309 K CB -0.384 31.979 32.500 -0.229 0.000 0.722 309 K HN 0.497 nan 8.250 nan 0.000 0.443 310 L N 0.929 122.118 121.223 -0.056 0.000 2.012 310 L HA -0.056 4.282 4.340 -0.002 0.000 0.210 310 L C 2.007 178.894 176.870 0.028 0.000 1.073 310 L CA 1.721 56.563 54.840 0.003 0.000 0.748 310 L CB -0.488 41.624 42.059 0.088 0.000 0.891 310 L HN 0.278 nan 8.230 nan 0.000 0.431 311 I N -0.640 119.955 120.570 0.041 0.000 2.208 311 I HA -0.342 3.827 4.170 -0.002 0.000 0.245 311 I C 2.591 178.751 176.117 0.072 0.000 1.097 311 I CA 1.800 63.150 61.300 0.084 0.000 1.363 311 I CB -0.446 37.596 38.000 0.070 0.000 1.051 311 I HN 0.550 nan 8.210 nan 0.000 0.413 312 Q N 1.038 120.832 119.800 -0.011 0.000 2.124 312 Q HA -0.249 4.090 4.340 -0.002 0.000 0.202 312 Q C 2.331 178.334 176.000 0.005 0.000 0.977 312 Q CA 1.510 57.292 55.803 -0.034 0.000 0.850 312 Q CB -0.083 28.570 28.738 -0.141 0.000 0.901 312 Q HN 0.410 nan 8.270 nan 0.000 0.429 313 L N 0.829 122.040 121.223 -0.020 0.000 1.970 313 L HA -0.178 4.161 4.340 -0.002 0.000 0.212 313 L C 2.348 179.323 176.870 0.174 0.000 1.071 313 L CA 2.021 56.893 54.840 0.054 0.000 0.751 313 L CB -0.597 41.377 42.059 -0.141 0.000 0.889 313 L HN 0.321 nan 8.230 nan 0.000 0.432 314 M N -0.468 119.304 119.600 0.287 0.000 2.144 314 M HA -0.237 4.241 4.480 -0.002 0.000 0.260 314 M C 1.910 178.408 176.300 0.330 0.000 1.067 314 M CA 1.696 57.327 55.300 0.552 0.000 1.095 314 M CB -0.630 32.327 32.600 0.594 0.000 1.365 314 M HN 0.360 nan 8.290 nan 0.000 0.406 315 N N 0.665 119.479 118.700 0.190 0.000 2.106 315 N HA -0.156 4.582 4.740 -0.002 0.000 0.188 315 N C 1.537 177.051 175.510 0.007 0.000 1.029 315 N CA 1.677 54.765 53.050 0.063 0.000 0.848 315 N CB -0.391 38.144 38.487 0.079 0.000 1.007 315 N HN 0.607 nan 8.380 nan 0.000 0.423 316 E N -0.267 119.968 120.200 0.058 0.000 2.358 316 E HA -0.009 4.339 4.350 -0.002 0.000 0.195 316 E C -0.157 176.465 176.600 0.036 0.000 1.010 316 E CA 0.482 56.910 56.400 0.048 0.000 0.856 316 E CB -0.243 29.506 29.700 0.082 0.000 0.795 316 E HN -0.045 nan 8.360 nan 0.000 0.504 317 T N 2.717 117.305 114.554 0.057 0.000 2.851 317 T HA 0.278 4.627 4.350 -0.002 0.000 0.298 317 T C 0.221 174.913 174.700 -0.014 0.000 0.977 317 T CA -0.384 61.694 62.100 -0.038 0.000 1.126 317 T CB 1.445 70.186 68.868 -0.212 0.000 0.916 317 T HN 0.210 nan 8.240 nan 0.000 0.529 318 V N 0.989 120.879 119.914 -0.041 0.000 2.997 318 V HA 0.387 4.506 4.120 -0.002 0.000 0.311 318 V C 1.043 177.219 176.094 0.138 0.000 1.066 318 V CA -0.703 61.617 62.300 0.033 0.000 1.039 318 V CB 0.872 32.694 31.823 -0.001 0.000 1.081 318 V HN 0.614 nan 8.190 nan 0.000 0.467 319 D N 2.743 123.240 120.400 0.160 0.000 2.133 319 D HA -0.142 4.497 4.640 -0.002 0.000 0.192 319 D C 2.103 178.474 176.300 0.119 0.000 1.001 319 D CA 2.355 56.471 54.000 0.193 0.000 0.844 319 D CB -0.741 40.121 40.800 0.103 0.000 0.944 319 D HN 0.896 nan 8.370 nan 0.000 0.447 320 G N 0.673 109.491 108.800 0.031 0.000 2.469 320 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.219 320 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.219 320 G C 1.349 176.182 174.900 -0.112 0.000 1.150 320 G CA 1.126 46.213 45.100 -0.022 0.000 0.763 320 G HN 0.191 nan 8.290 nan 0.000 0.561 321 D N -0.845 119.421 120.400 -0.223 0.000 2.194 321 D HA -0.006 4.633 4.640 -0.002 0.000 0.204 321 D C 2.058 177.755 176.300 -1.004 0.000 0.964 321 D CA 0.397 54.060 54.000 -0.560 0.000 0.846 321 D CB -0.129 40.356 40.800 -0.525 0.000 0.962 321 D HN 0.350 nan 8.370 nan 0.000 0.490 322 Y N 1.188 121.224 120.300 -0.440 0.000 2.163 322 Y HA -0.110 4.438 4.550 -0.002 0.000 0.288 322 Y C 2.512 178.401 175.900 -0.019 0.000 1.136 322 Y CA 1.036 59.049 58.100 -0.146 0.000 1.147 322 Y CB -0.185 38.373 38.460 0.163 0.000 0.987 322 Y HN -0.092 nan 8.280 nan 0.000 0.509 323 Q N -0.679 119.214 119.800 0.155 0.000 2.297 323 Q HA -0.094 4.244 4.340 -0.002 0.000 0.204 323 Q C 2.080 178.130 176.000 0.082 0.000 0.962 323 Q CA 1.304 57.189 55.803 0.136 0.000 0.879 323 Q CB -0.346 28.460 28.738 0.113 0.000 0.947 323 Q HN 0.435 nan 8.270 nan 0.000 0.462 324 T N 0.661 115.194 114.554 -0.035 0.000 2.857 324 T HA -0.064 4.284 4.350 -0.002 0.000 0.266 324 T C 1.326 176.045 174.700 0.031 0.000 1.048 324 T CA 0.556 62.615 62.100 -0.068 0.000 1.139 324 T CB -0.157 68.617 68.868 -0.157 0.000 0.874 324 T HN 0.128 nan 8.240 nan 0.000 0.455 325 F N 1.977 122.010 119.950 0.138 0.000 2.069 325 F HA -0.020 4.506 4.527 -0.002 0.000 0.298 325 F C 2.201 178.212 175.800 0.351 0.000 1.113 325 F CA 0.843 58.999 58.000 0.261 0.000 1.214 325 F CB -0.603 38.571 39.000 0.289 0.000 0.978 325 F HN -0.027 nan 8.300 nan 0.000 0.474 326 K N 0.441 121.104 120.400 0.437 0.000 2.525 326 K HA 0.024 4.343 4.320 -0.002 0.000 0.192 326 K C 1.659 178.484 176.600 0.376 0.000 1.029 326 K CA 0.837 57.275 56.287 0.251 0.000 1.029 326 K CB -0.641 31.909 32.500 0.082 0.000 0.814 326 K HN 0.362 nan 8.250 nan 0.000 0.503 327 S N -1.494 114.400 115.700 0.324 0.000 2.540 327 S HA 0.192 4.660 4.470 -0.002 0.000 0.218 327 S C 1.042 175.733 174.600 0.152 0.000 0.977 327 S CA -0.171 58.152 58.200 0.205 0.000 0.918 327 S CB 0.485 63.734 63.200 0.081 0.000 0.806 327 S HN -0.089 nan 8.310 nan 0.000 0.496 328 K N 1.837 122.357 120.400 0.200 0.000 4.493 328 K HA 0.538 4.857 4.320 -0.002 0.000 0.206 328 K C -0.541 175.790 176.600 -0.448 0.000 1.105 328 K CA 0.208 56.434 56.287 -0.103 0.000 1.928 328 K CB -0.117 32.152 32.500 -0.385 0.000 2.779 328 K HN 0.508 nan 8.250 nan 0.000 0.614 329 D N -3.194 116.765 120.400 -0.736 0.000 2.692 329 D HA 0.256 4.895 4.640 -0.002 0.000 0.303 329 D C 0.947 176.781 176.300 -0.777 0.000 1.278 329 D CA -0.385 52.676 54.000 -1.565 0.000 0.852 329 D CB 0.171 40.517 40.800 -0.757 0.000 1.375 329 D HN 0.296 nan 8.370 nan 0.000 0.453 330 G N -0.085 108.390 108.800 -0.543 0.000 2.469 330 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.219 330 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.219 330 G C 1.394 176.375 174.900 0.136 0.000 1.150 330 G CA 2.094 47.278 45.100 0.140 0.000 0.763 330 G HN 0.765 nan 8.290 nan 0.000 0.561 331 A N -0.122 122.717 122.820 0.032 0.000 1.908 331 A HA -0.108 4.211 4.320 -0.002 0.000 0.218 331 A C 2.212 179.872 177.584 0.126 0.000 1.181 331 A CA 1.858 53.931 52.037 0.061 0.000 0.627 331 A CB -0.726 18.289 19.000 0.025 0.000 0.818 331 A HN 0.484 nan 8.150 nan 0.000 0.445 332 Y N 0.586 120.941 120.300 0.091 0.000 2.089 332 Y HA -0.217 4.332 4.550 -0.002 0.000 0.282 332 Y C 2.509 178.581 175.900 0.286 0.000 1.139 332 Y CA 2.191 60.455 58.100 0.272 0.000 1.123 332 Y CB -0.372 38.252 38.460 0.273 0.000 0.980 332 Y HN 0.079 nan 8.280 nan 0.000 0.493 333 V N 0.813 120.987 119.914 0.433 0.000 2.392 333 V HA -0.344 3.775 4.120 -0.002 0.000 0.249 333 V C 2.497 178.708 176.094 0.195 0.000 1.059 333 V CA 2.248 64.651 62.300 0.173 0.000 1.051 333 V CB -0.758 31.227 31.823 0.270 0.000 0.658 333 V HN 0.353 nan 8.190 nan 0.000 0.455 334 R N -0.423 120.220 120.500 0.238 0.000 2.081 334 R HA -0.202 4.136 4.340 -0.002 0.000 0.235 334 R C 2.367 178.697 176.300 0.050 0.000 1.131 334 R CA 1.820 58.046 56.100 0.210 0.000 0.960 334 R CB -0.037 30.320 30.300 0.096 0.000 0.856 334 R HN 0.438 nan 8.270 nan 0.000 0.436 335 E N -0.937 119.186 120.200 -0.129 0.000 2.102 335 E HA -0.056 4.293 4.350 -0.002 0.000 0.190 335 E C 1.676 178.041 176.600 -0.392 0.000 0.971 335 E CA 1.332 57.538 56.400 -0.324 0.000 0.821 335 E CB -0.004 29.371 29.700 -0.542 0.000 0.777 335 E HN 0.497 nan 8.360 nan 0.000 0.460 336 H N -1.926 117.054 119.070 -0.150 0.000 2.482 336 H HA 0.102 4.657 4.556 -0.002 0.000 0.286 336 H C 1.145 176.479 175.328 0.011 0.000 1.017 336 H CA 1.036 57.038 56.048 -0.076 0.000 1.322 336 H CB 0.242 29.947 29.762 -0.094 0.000 1.426 336 H HN 0.105 nan 8.280 nan 0.000 0.546 337 F N -0.458 119.334 119.950 -0.264 0.000 2.403 337 F HA 0.091 4.617 4.527 -0.002 0.000 0.263 337 F C 1.339 176.979 175.800 -0.267 0.000 1.020 337 F CA 0.167 57.921 58.000 -0.409 0.000 1.091 337 F CB -0.631 37.820 39.000 -0.916 0.000 1.141 337 F HN -0.092 nan 8.300 nan 0.000 0.633 338 F N 1.248 121.115 119.950 -0.139 0.000 2.202 338 F HA 0.004 4.529 4.527 -0.002 0.000 0.301 338 F C 2.619 178.308 175.800 -0.185 0.000 1.082 338 F CA 1.380 59.248 58.000 -0.220 0.000 1.313 338 F CB -1.417 37.524 39.000 -0.097 0.000 1.024 338 F HN 0.185 nan 8.300 nan 0.000 0.495 339 G N -0.676 108.125 108.800 0.003 0.000 2.509 339 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.218 339 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.218 339 G C 1.673 176.482 174.900 -0.151 0.000 1.124 339 G CA 0.484 45.541 45.100 -0.072 0.000 0.776 339 G HN 0.258 nan 8.290 nan 0.000 0.547 340 K N -0.951 119.310 120.400 -0.233 0.000 2.160 340 K HA -0.081 4.238 4.320 -0.002 0.000 0.206 340 K C -0.341 175.844 176.600 -0.692 0.000 1.047 340 K CA 0.819 56.836 56.287 -0.450 0.000 0.930 340 K CB -0.140 32.052 32.500 -0.514 0.000 0.720 340 K HN 0.405 nan 8.250 nan 0.000 0.450 341 Y N -1.606 118.634 120.300 -0.099 0.000 2.442 341 Y HA 0.242 4.791 4.550 -0.002 0.000 0.344 341 Y C -2.049 173.817 175.900 -0.056 0.000 0.976 341 Y CA -2.780 55.276 58.100 -0.072 0.000 1.040 341 Y CB 1.895 40.307 38.460 -0.080 0.000 1.228 341 Y HN -0.121 nan 8.280 nan 0.000 0.451 342 P HA -0.088 nan 4.420 nan 0.000 0.234 342 P C 0.493 177.820 177.300 0.044 0.000 1.167 342 P CA 1.255 64.382 63.100 0.046 0.000 0.763 342 P CB 0.461 32.180 31.700 0.032 0.000 0.835 343 E N -1.059 119.184 120.200 0.073 0.000 2.162 343 E HA -0.033 4.315 4.350 -0.002 0.000 0.193 343 E C 1.619 178.233 176.600 0.024 0.000 0.953 343 E CA 1.422 57.840 56.400 0.029 0.000 0.849 343 E CB -1.271 28.429 29.700 0.002 0.000 0.810 343 E HN 0.259 nan 8.360 nan 0.000 0.470 344 T N 0.317 114.911 114.554 0.067 0.000 2.904 344 T HA 0.141 4.489 4.350 -0.002 0.000 0.267 344 T C 2.254 177.007 174.700 0.088 0.000 1.059 344 T CA 0.981 63.135 62.100 0.089 0.000 1.137 344 T CB -0.226 68.699 68.868 0.094 0.000 0.879 344 T HN 0.189 nan 8.240 nan 0.000 0.467 345 A N 2.134 124.990 122.820 0.061 0.000 1.908 345 A HA 0.230 4.549 4.320 -0.002 0.000 0.218 345 A C 2.811 180.344 177.584 -0.086 0.000 1.181 345 A CA 1.989 54.030 52.037 0.007 0.000 0.627 345 A CB -1.452 17.549 19.000 0.000 0.000 0.818 345 A HN 0.701 nan 8.150 nan 0.000 0.445 346 A N -0.053 122.729 122.820 -0.063 0.000 1.851 346 A HA -0.120 4.199 4.320 -0.002 0.000 0.216 346 A C 2.092 179.589 177.584 -0.146 0.000 1.195 346 A CA 1.616 53.606 52.037 -0.078 0.000 0.622 346 A CB -0.879 18.097 19.000 -0.040 0.000 0.831 346 A HN 0.509 nan 8.150 nan 0.000 0.444 347 L N -0.497 120.622 121.223 -0.172 0.000 2.151 347 L HA -0.280 4.059 4.340 -0.002 0.000 0.219 347 L C 2.140 178.677 176.870 -0.556 0.000 1.083 347 L CA 1.939 56.615 54.840 -0.273 0.000 0.782 347 L CB -0.597 41.303 42.059 -0.266 0.000 0.891 347 L HN 0.529 nan 8.230 nan 0.000 0.439 348 V N -5.407 114.079 119.914 -0.713 0.000 3.528 348 V HA 0.391 4.510 4.120 -0.002 0.000 0.294 348 V C 2.077 177.978 176.094 -0.323 0.000 1.404 348 V CA 0.426 62.168 62.300 -0.929 0.000 1.065 348 V CB -0.068 30.967 31.823 -1.313 0.000 0.904 348 V HN 0.196 nan 8.190 nan 0.000 0.435 349 A N 2.006 124.708 122.820 -0.196 0.000 2.076 349 A HA -0.217 4.101 4.320 -0.002 0.000 0.220 349 A C 1.644 179.234 177.584 0.010 0.000 1.160 349 A CA 2.262 54.254 52.037 -0.075 0.000 0.653 349 A CB -0.617 18.349 19.000 -0.055 0.000 0.801 349 A HN 0.780 nan 8.150 nan 0.000 0.455 350 D N -2.635 117.817 120.400 0.086 0.000 2.346 350 D HA 0.073 4.712 4.640 -0.002 0.000 0.206 350 D C 0.177 176.627 176.300 0.250 0.000 1.001 350 D CA -0.104 53.993 54.000 0.161 0.000 0.871 350 D CB -0.130 40.783 40.800 0.189 0.000 0.943 350 D HN 0.536 nan 8.370 nan 0.000 0.518 351 W N 2.113 123.344 121.300 -0.115 0.000 2.303 351 W HA 0.413 5.072 4.660 -0.002 0.000 0.334 351 W C 0.852 177.318 176.519 -0.088 0.000 1.197 351 W CA -1.559 55.717 57.345 -0.115 0.000 1.262 351 W CB 0.332 29.687 29.460 -0.174 0.000 1.153 351 W HN -0.256 nan 8.180 nan 0.000 0.596 352 T N -1.359 113.282 114.554 0.145 0.000 2.910 352 T HA 0.082 4.430 4.350 -0.002 0.000 0.293 352 T C 0.832 175.600 174.700 0.112 0.000 1.015 352 T CA -0.451 61.699 62.100 0.084 0.000 1.094 352 T CB 1.148 70.037 68.868 0.036 0.000 0.968 352 T HN 0.350 nan 8.240 nan 0.000 0.521 353 D N 0.545 120.993 120.400 0.081 0.000 2.228 353 D HA -0.153 4.485 4.640 -0.002 0.000 0.203 353 D C 1.995 178.378 176.300 0.139 0.000 0.988 353 D CA 1.440 55.496 54.000 0.094 0.000 0.864 353 D CB 0.014 40.843 40.800 0.048 0.000 0.928 353 D HN 0.933 nan 8.370 nan 0.000 0.469 354 E N 0.401 120.669 120.200 0.113 0.000 2.216 354 E HA -0.167 4.181 4.350 -0.002 0.000 0.192 354 E C 1.433 178.135 176.600 0.171 0.000 0.988 354 E CA 0.685 57.170 56.400 0.142 0.000 0.834 354 E CB -0.159 29.589 29.700 0.080 0.000 0.772 354 E HN 0.278 nan 8.360 nan 0.000 0.479 355 Q N -0.005 119.881 119.800 0.142 0.000 2.425 355 Q HA 0.177 4.516 4.340 -0.002 0.000 0.204 355 Q C 1.816 177.983 176.000 0.277 0.000 0.933 355 Q CA 0.221 56.102 55.803 0.130 0.000 0.939 355 Q CB 0.302 29.051 28.738 0.017 0.000 1.044 355 Q HN 0.349 nan 8.270 nan 0.000 0.513 356 I N -1.149 119.588 120.570 0.279 0.000 2.628 356 I HA -0.143 4.025 4.170 -0.002 0.000 0.255 356 I C 1.795 178.102 176.117 0.317 0.000 1.119 356 I CA 0.444 61.900 61.300 0.260 0.000 1.448 356 I CB -0.041 38.100 38.000 0.235 0.000 1.133 356 I HN 0.427 nan 8.210 nan 0.000 0.438 357 W N 1.487 122.855 121.300 0.114 0.000 2.425 357 W HA -0.155 4.503 4.660 -0.002 0.000 0.277 357 W C 2.230 178.811 176.519 0.102 0.000 1.231 357 W CA 1.048 58.462 57.345 0.115 0.000 1.248 357 W CB 0.240 29.758 29.460 0.097 0.000 1.117 357 W HN 0.135 nan 8.180 nan 0.000 0.568 358 A N 0.604 123.522 122.820 0.163 0.000 2.067 358 A HA -0.028 4.291 4.320 -0.002 0.000 0.219 358 A C 1.069 178.658 177.584 0.008 0.000 1.158 358 A CA 0.450 52.518 52.037 0.050 0.000 0.661 358 A CB -0.862 18.174 19.000 0.060 0.000 0.801 358 A HN 0.167 nan 8.150 nan 0.000 0.452 359 L N 1.526 122.737 121.223 -0.021 0.000 2.559 359 L HA 0.022 4.360 4.340 -0.002 0.000 0.274 359 L C 0.234 177.197 176.870 0.155 0.000 1.205 359 L CA -0.172 54.601 54.840 -0.112 0.000 0.907 359 L CB -0.069 41.664 42.059 -0.544 0.000 1.153 359 L HN 0.308 nan 8.230 nan 0.000 0.490 360 N N 3.135 122.022 118.700 0.311 0.000 2.432 360 N HA 0.427 5.165 4.740 -0.002 0.000 0.292 360 N C -0.610 175.226 175.510 0.544 0.000 1.193 360 N CA -0.722 52.534 53.050 0.342 0.000 0.878 360 N CB 1.606 40.220 38.487 0.213 0.000 1.252 360 N HN 0.412 nan 8.380 nan 0.000 0.520 361 R N -0.314 120.392 120.500 0.344 0.000 2.531 361 R HA 0.275 4.613 4.340 -0.002 0.000 0.273 361 R C 1.309 177.686 176.300 0.129 0.000 1.070 361 R CA -0.344 55.872 56.100 0.194 0.000 1.112 361 R CB 0.307 30.502 30.300 -0.174 0.000 1.049 361 R HN 0.707 nan 8.270 nan 0.000 0.508 362 G N 1.358 110.164 108.800 0.009 0.000 2.475 362 G HA2 -0.263 3.695 3.960 -0.002 0.000 0.220 362 G HA3 -0.263 3.695 3.960 -0.002 0.000 0.220 362 G C 1.269 176.130 174.900 -0.065 0.000 1.125 362 G CA 0.849 45.941 45.100 -0.014 0.000 0.755 362 G HN 0.744 nan 8.290 nan 0.000 0.565 363 G N -1.187 107.512 108.800 -0.169 0.000 2.708 363 G HA2 -0.038 3.921 3.960 -0.002 0.000 0.210 363 G HA3 -0.038 3.921 3.960 -0.002 0.000 0.210 363 G C 1.244 175.890 174.900 -0.423 0.000 1.141 363 G CA 0.455 45.387 45.100 -0.279 0.000 0.788 363 G HN 0.567 nan 8.290 nan 0.000 0.531 364 H N -0.862 118.133 119.070 -0.125 0.000 2.755 364 H HA 0.110 4.665 4.556 -0.002 0.000 0.273 364 H C -0.407 174.889 175.328 -0.055 0.000 1.055 364 H CA -0.223 55.720 56.048 -0.174 0.000 1.191 364 H CB 1.126 30.692 29.762 -0.327 0.000 1.536 364 H HN 0.244 nan 8.280 nan 0.000 0.529 365 D N 2.001 122.442 120.400 0.069 0.000 2.427 365 D HA 0.114 4.753 4.640 -0.002 0.000 0.226 365 D C -1.716 174.601 176.300 0.028 0.000 1.076 365 D CA -2.331 51.707 54.000 0.063 0.000 0.849 365 D CB 2.135 42.993 40.800 0.097 0.000 1.052 365 D HN 0.000 nan 8.370 nan 0.000 0.515 366 P HA -0.164 nan 4.420 nan 0.000 0.217 366 P C 0.977 178.236 177.300 -0.067 0.000 1.148 366 P CA 1.206 64.260 63.100 -0.076 0.000 0.828 366 P CB 0.556 32.078 31.700 -0.296 0.000 0.783 367 K N -0.300 120.023 120.400 -0.127 0.000 2.057 367 K HA -0.078 4.241 4.320 -0.002 0.000 0.206 367 K C 2.104 178.817 176.600 0.189 0.000 1.050 367 K CA 1.148 57.456 56.287 0.035 0.000 0.935 367 K CB -0.144 32.358 32.500 0.005 0.000 0.715 367 K HN -0.016 nan 8.250 nan 0.000 0.439 368 K N 0.518 120.996 120.400 0.129 0.000 2.155 368 K HA -0.002 4.317 4.320 -0.002 0.000 0.203 368 K C 2.072 178.748 176.600 0.126 0.000 1.052 368 K CA 1.027 57.384 56.287 0.117 0.000 0.948 368 K CB -0.123 32.423 32.500 0.076 0.000 0.728 368 K HN 0.174 nan 8.250 nan 0.000 0.448 369 I N 0.059 120.729 120.570 0.167 0.000 2.202 369 I HA -0.295 3.874 4.170 -0.002 0.000 0.242 369 I C 2.419 178.762 176.117 0.377 0.000 1.091 369 I CA 1.128 62.566 61.300 0.231 0.000 1.368 369 I CB -0.352 37.799 38.000 0.252 0.000 1.058 369 I HN 0.025 nan 8.210 nan 0.000 0.410 370 Y N 1.728 122.232 120.300 0.341 0.000 2.165 370 Y HA -0.338 4.211 4.550 -0.002 0.000 0.286 370 Y C 2.477 178.571 175.900 0.325 0.000 1.155 370 Y CA 1.526 59.891 58.100 0.443 0.000 1.164 370 Y CB -0.358 38.408 38.460 0.510 0.000 0.978 370 Y HN 0.141 nan 8.280 nan 0.000 0.513 371 A N 0.477 123.454 122.820 0.261 0.000 1.908 371 A HA -0.155 4.164 4.320 -0.002 0.000 0.218 371 A C 2.436 179.991 177.584 -0.048 0.000 1.181 371 A CA 2.022 54.120 52.037 0.101 0.000 0.627 371 A CB -1.532 17.550 19.000 0.138 0.000 0.818 371 A HN 0.631 nan 8.150 nan 0.000 0.445 372 A N -1.162 121.608 122.820 -0.083 0.000 1.877 372 A HA -0.001 4.318 4.320 -0.002 0.000 0.216 372 A C 1.956 179.309 177.584 -0.384 0.000 1.186 372 A CA 1.556 53.445 52.037 -0.248 0.000 0.620 372 A CB -0.765 18.030 19.000 -0.341 0.000 0.822 372 A HN 0.460 nan 8.150 nan 0.000 0.443 373 F N -0.080 119.650 119.950 -0.366 0.000 2.234 373 F HA -0.072 4.454 4.527 -0.002 0.000 0.299 373 F C 2.269 177.732 175.800 -0.562 0.000 1.087 373 F CA 1.726 59.328 58.000 -0.663 0.000 1.340 373 F CB -0.089 38.106 39.000 -1.342 0.000 1.031 373 F HN 0.106 nan 8.300 nan 0.000 0.500 374 K N 0.991 121.276 120.400 -0.192 0.000 2.057 374 K HA -0.140 4.178 4.320 -0.002 0.000 0.206 374 K C 2.090 178.670 176.600 -0.034 0.000 1.050 374 K CA 1.299 57.571 56.287 -0.026 0.000 0.935 374 K CB -0.359 32.004 32.500 -0.229 0.000 0.715 374 K HN -0.097 nan 8.250 nan 0.000 0.439 375 K N 0.218 120.564 120.400 -0.090 0.000 2.057 375 K HA -0.033 4.286 4.320 -0.002 0.000 0.207 375 K C 1.892 178.434 176.600 -0.097 0.000 1.049 375 K CA 1.319 57.558 56.287 -0.080 0.000 0.931 375 K CB -0.299 32.144 32.500 -0.096 0.000 0.714 375 K HN 0.166 nan 8.250 nan 0.000 0.440 376 A N 1.324 124.053 122.820 -0.152 0.000 1.883 376 A HA -0.246 4.073 4.320 -0.002 0.000 0.217 376 A C 2.170 179.697 177.584 -0.096 0.000 1.186 376 A CA 1.948 53.889 52.037 -0.160 0.000 0.624 376 A CB -0.718 18.143 19.000 -0.233 0.000 0.822 376 A HN 0.560 nan 8.150 nan 0.000 0.444 377 Q N -0.578 119.201 119.800 -0.035 0.000 2.152 377 Q HA -0.253 4.086 4.340 -0.002 0.000 0.206 377 Q C 1.816 177.825 176.000 0.015 0.000 0.985 377 Q CA 2.036 57.864 55.803 0.040 0.000 0.863 377 Q CB -0.102 28.744 28.738 0.179 0.000 0.904 377 Q HN 0.823 nan 8.270 nan 0.000 0.422 378 E N -0.481 119.718 120.200 -0.002 0.000 2.170 378 E HA 0.001 4.349 4.350 -0.002 0.000 0.191 378 E C 0.107 176.686 176.600 -0.034 0.000 0.981 378 E CA 0.527 56.922 56.400 -0.009 0.000 0.830 378 E CB 0.263 29.960 29.700 -0.004 0.000 0.775 378 E HN 0.184 nan 8.360 nan 0.000 0.470 379 T N 2.581 117.101 114.554 -0.057 0.000 2.908 379 T HA 0.052 4.401 4.350 -0.002 0.000 0.301 379 T C 0.127 174.776 174.700 -0.085 0.000 1.019 379 T CA 0.375 62.430 62.100 -0.075 0.000 1.152 379 T CB 0.494 69.303 68.868 -0.099 0.000 0.966 379 T HN -0.105 nan 8.240 nan 0.000 0.540 380 K N 1.059 121.412 120.400 -0.079 0.000 2.400 380 K HA 0.620 4.939 4.320 -0.002 0.000 0.246 380 K C 1.164 177.707 176.600 -0.095 0.000 0.995 380 K CA -0.455 55.783 56.287 -0.083 0.000 0.840 380 K CB 1.793 34.258 32.500 -0.058 0.000 1.293 380 K HN 0.742 nan 8.250 nan 0.000 0.445 381 G N 0.868 109.608 108.800 -0.101 0.000 2.225 381 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.254 381 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.254 381 G C -0.024 174.785 174.900 -0.152 0.000 0.988 381 G CA 1.170 46.206 45.100 -0.107 0.000 0.625 381 G HN 0.656 nan 8.290 nan 0.000 0.527 382 K N -1.071 119.209 120.400 -0.200 0.000 2.658 382 K HA 0.767 5.086 4.320 -0.002 0.000 0.293 382 K C -0.337 176.020 176.600 -0.405 0.000 1.026 382 K CA -0.308 55.799 56.287 -0.300 0.000 0.871 382 K CB 0.791 33.141 32.500 -0.250 0.000 1.524 382 K HN 1.263 nan 8.250 nan 0.000 0.400 383 A N 0.767 123.172 122.820 -0.692 0.000 2.287 383 A HA 0.609 4.928 4.320 -0.002 0.000 0.273 383 A C -0.541 176.689 177.584 -0.590 0.000 1.091 383 A CA -0.253 51.259 52.037 -0.875 0.000 0.817 383 A CB 0.710 18.676 19.000 -1.723 0.000 1.069 383 A HN 0.603 nan 8.150 nan 0.000 0.492 384 T N 0.321 114.667 114.554 -0.347 0.000 2.863 384 T HA 0.520 4.869 4.350 -0.002 0.000 0.285 384 T C -1.084 173.698 174.700 0.137 0.000 1.009 384 T CA -0.332 61.725 62.100 -0.070 0.000 0.989 384 T CB 1.425 70.202 68.868 -0.153 0.000 1.004 384 T HN 0.913 nan 8.240 nan 0.000 0.455 385 V N 4.867 124.864 119.914 0.138 0.000 2.531 385 V HA 0.624 4.743 4.120 -0.002 0.000 0.301 385 V C -1.137 174.825 176.094 -0.219 0.000 1.034 385 V CA -0.868 61.408 62.300 -0.041 0.000 0.865 385 V CB 0.995 32.594 31.823 -0.373 0.000 0.995 385 V HN 0.840 nan 8.190 nan 0.000 0.424 386 I N 7.535 127.930 120.570 -0.292 0.000 2.321 386 I HA 0.405 4.573 4.170 -0.002 0.000 0.291 386 I C -0.481 175.433 176.117 -0.338 0.000 0.998 386 I CA -0.384 60.699 61.300 -0.361 0.000 1.227 386 I CB 1.494 39.173 38.000 -0.534 0.000 1.368 386 I HN 0.408 nan 8.210 nan 0.000 0.466 387 L N 6.978 128.012 121.223 -0.314 0.000 2.264 387 L HA 0.591 4.930 4.340 -0.002 0.000 0.287 387 L C 0.256 176.960 176.870 -0.277 0.000 1.039 387 L CA -0.517 54.147 54.840 -0.294 0.000 0.829 387 L CB 1.072 42.954 42.059 -0.296 0.000 1.211 387 L HN 0.624 nan 8.230 nan 0.000 0.427 388 A N 2.777 125.455 122.820 -0.236 0.000 2.260 388 A HA 0.249 4.568 4.320 -0.002 0.000 0.312 388 A C -0.349 177.135 177.584 -0.167 0.000 1.321 388 A CA -0.377 51.536 52.037 -0.207 0.000 0.928 388 A CB -0.077 18.816 19.000 -0.177 0.000 1.158 388 A HN 0.789 nan 8.150 nan 0.000 0.542 389 H N 2.925 121.789 119.070 -0.343 0.000 2.878 389 H HA 0.346 4.901 4.556 -0.002 0.000 0.290 389 H C 0.412 175.582 175.328 -0.262 0.000 1.065 389 H CA 0.915 56.749 56.048 -0.356 0.000 1.477 389 H CB 0.534 29.951 29.762 -0.576 0.000 1.484 389 H HN 0.815 nan 8.280 nan 0.000 0.504 390 T N 2.245 116.650 114.554 -0.248 0.000 2.804 390 T HA 0.485 4.833 4.350 -0.002 0.000 0.290 390 T C -0.363 174.347 174.700 0.016 0.000 1.099 390 T CA -0.980 60.991 62.100 -0.215 0.000 1.011 390 T CB 1.546 70.214 68.868 -0.334 0.000 1.291 390 T HN 0.401 nan 8.240 nan 0.000 0.523 391 I N 1.032 121.818 120.570 0.361 0.000 2.389 391 I HA 0.423 4.592 4.170 -0.002 0.000 0.288 391 I C -0.055 176.217 176.117 0.259 0.000 0.999 391 I CA -0.987 60.452 61.300 0.232 0.000 1.129 391 I CB 1.830 39.960 38.000 0.215 0.000 1.288 391 I HN 0.644 nan 8.210 nan 0.000 0.444 392 K N 4.956 125.473 120.400 0.196 0.000 2.416 392 K HA 0.361 4.680 4.320 -0.002 0.000 0.283 392 K C 0.929 177.662 176.600 0.222 0.000 1.037 392 K CA 0.765 57.177 56.287 0.207 0.000 0.995 392 K CB 0.438 33.050 32.500 0.186 0.000 0.938 392 K HN 0.863 nan 8.250 nan 0.000 0.475 393 G N 3.448 112.393 108.800 0.241 0.000 2.160 393 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.244 393 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.244 393 G C -0.425 174.629 174.900 0.256 0.000 1.022 393 G CA 0.212 45.447 45.100 0.224 0.000 0.741 393 G HN 0.738 nan 8.290 nan 0.000 0.508 394 Y N 0.577 120.976 120.300 0.166 0.000 2.721 394 Y HA 0.304 4.853 4.550 -0.002 0.000 0.329 394 Y C 1.597 177.661 175.900 0.273 0.000 1.211 394 Y CA 1.315 59.504 58.100 0.149 0.000 1.512 394 Y CB 0.383 38.918 38.460 0.125 0.000 1.249 394 Y HN 1.457 nan 8.280 nan 0.000 0.549 395 G N 4.967 113.611 108.800 -0.259 0.000 2.184 395 G HA2 -0.347 3.611 3.960 -0.002 0.000 0.264 395 G HA3 -0.347 3.611 3.960 -0.002 0.000 0.264 395 G C 0.703 175.769 174.900 0.278 0.000 0.975 395 G CA 0.585 45.616 45.100 -0.115 0.000 0.642 395 G HN 0.678 nan 8.290 nan 0.000 0.536 396 M N 0.879 120.621 119.600 0.238 0.000 2.561 396 M HA 0.326 4.804 4.480 -0.002 0.000 0.238 396 M C 2.133 178.477 176.300 0.072 0.000 1.131 396 M CA 0.722 56.161 55.300 0.231 0.000 1.046 396 M CB -0.096 32.608 32.600 0.173 0.000 1.532 396 M HN 0.811 nan 8.290 nan 0.000 0.497 397 G N 2.562 111.376 108.800 0.023 0.000 2.660 397 G HA2 -0.434 3.525 3.960 -0.002 0.000 0.338 397 G HA3 -0.434 3.525 3.960 -0.002 0.000 0.338 397 G C 0.623 175.439 174.900 -0.140 0.000 1.336 397 G CA 0.982 45.962 45.100 -0.200 0.000 0.990 397 G HN 0.615 nan 8.290 nan 0.000 0.537 398 D N 0.604 120.870 120.400 -0.224 0.000 2.347 398 D HA -0.308 4.331 4.640 -0.002 0.000 0.189 398 D C 2.485 178.761 176.300 -0.041 0.000 1.020 398 D CA 3.284 57.219 54.000 -0.109 0.000 0.875 398 D CB -1.009 39.718 40.800 -0.121 0.000 0.928 398 D HN 1.168 nan 8.370 nan 0.000 0.454 399 A N 1.294 124.095 122.820 -0.033 0.000 1.873 399 A HA 0.137 4.455 4.320 -0.002 0.000 0.218 399 A C 2.330 179.940 177.584 0.042 0.000 1.193 399 A CA 3.438 55.485 52.037 0.016 0.000 0.629 399 A CB -0.402 18.621 19.000 0.038 0.000 0.826 399 A HN 0.757 nan 8.150 nan 0.000 0.447 400 A N -2.071 120.786 122.820 0.062 0.000 2.584 400 A HA 0.354 4.672 4.320 -0.002 0.000 0.220 400 A C 0.175 177.825 177.584 0.110 0.000 1.182 400 A CA 0.385 52.474 52.037 0.088 0.000 1.043 400 A CB -0.274 18.789 19.000 0.105 0.000 1.164 400 A HN 0.389 nan 8.150 nan 0.000 0.506 401 E N 0.701 120.966 120.200 0.108 0.000 2.603 401 E HA 0.320 4.668 4.350 -0.002 0.000 0.242 401 E C 1.380 178.063 176.600 0.138 0.000 1.083 401 E CA 1.223 57.704 56.400 0.135 0.000 0.950 401 E CB -0.255 29.526 29.700 0.135 0.000 0.952 401 E HN 1.205 nan 8.360 nan 0.000 0.498 402 G N 3.966 112.853 108.800 0.146 0.000 2.187 402 G HA2 -0.359 3.599 3.960 -0.002 0.000 0.261 402 G HA3 -0.359 3.599 3.960 -0.002 0.000 0.261 402 G C -0.038 174.925 174.900 0.105 0.000 1.000 402 G CA 0.694 45.873 45.100 0.132 0.000 0.718 402 G HN 0.499 nan 8.290 nan 0.000 0.519 403 K N -0.312 120.149 120.400 0.101 0.000 2.118 403 K HA 0.378 4.697 4.320 -0.002 0.000 0.267 403 K C 1.049 177.701 176.600 0.087 0.000 0.991 403 K CA -0.812 55.523 56.287 0.080 0.000 0.916 403 K CB 0.606 33.148 32.500 0.071 0.000 1.041 403 K HN -0.017 nan 8.250 nan 0.000 0.455 404 N N 1.415 120.156 118.700 0.069 0.000 2.272 404 N HA -0.137 4.602 4.740 -0.002 0.000 0.185 404 N C 1.364 176.926 175.510 0.088 0.000 1.014 404 N CA 1.165 54.258 53.050 0.071 0.000 0.870 404 N CB -0.237 38.280 38.487 0.049 0.000 0.975 404 N HN 0.526 nan 8.380 nan 0.000 0.433 405 I N -2.543 118.077 120.570 0.084 0.000 3.684 405 I HA 0.279 4.448 4.170 -0.002 0.000 0.304 405 I C 1.877 178.066 176.117 0.121 0.000 1.278 405 I CA 0.032 61.388 61.300 0.093 0.000 1.272 405 I CB -0.386 37.655 38.000 0.068 0.000 1.029 405 I HN -0.151 nan 8.210 nan 0.000 0.458 406 A N 1.425 124.325 122.820 0.135 0.000 1.903 406 A HA -0.351 3.968 4.320 -0.002 0.000 0.219 406 A C 2.347 180.046 177.584 0.192 0.000 1.191 406 A CA 2.476 54.606 52.037 0.154 0.000 0.638 406 A CB -1.327 17.773 19.000 0.167 0.000 0.823 406 A HN 0.668 nan 8.150 nan 0.000 0.451 407 H N -0.375 118.782 119.070 0.145 0.000 2.352 407 H HA -0.104 4.451 4.556 -0.002 0.000 0.299 407 H C 1.854 177.293 175.328 0.185 0.000 1.097 407 H CA 2.035 58.200 56.048 0.194 0.000 1.311 407 H CB 0.072 29.934 29.762 0.167 0.000 1.377 407 H HN 0.447 nan 8.280 nan 0.000 0.504 408 Q N 0.200 120.112 119.800 0.187 0.000 2.444 408 Q HA 0.069 4.408 4.340 -0.002 0.000 0.206 408 Q C 0.100 176.116 176.000 0.026 0.000 0.948 408 Q CA 0.113 55.969 55.803 0.088 0.000 0.946 408 Q CB 0.309 29.110 28.738 0.104 0.000 1.027 408 Q HN 0.247 nan 8.270 nan 0.000 0.513 409 V N 3.835 123.774 119.914 0.042 0.000 2.521 409 V HA 0.002 4.121 4.120 -0.002 0.000 0.286 409 V C 1.235 177.332 176.094 0.005 0.000 1.034 409 V CA 0.583 62.901 62.300 0.031 0.000 1.045 409 V CB 0.597 32.453 31.823 0.056 0.000 0.974 409 V HN 0.329 nan 8.190 nan 0.000 0.480 410 K N 3.140 123.537 120.400 -0.005 0.000 2.585 410 K HA 0.337 4.655 4.320 -0.002 0.000 0.210 410 K C -0.143 176.452 176.600 -0.009 0.000 1.294 410 K CA -0.422 55.857 56.287 -0.013 0.000 1.025 410 K CB 0.783 33.263 32.500 -0.033 0.000 1.076 410 K HN 0.564 nan 8.250 nan 0.000 0.613 411 K N 1.535 121.932 120.400 -0.005 0.000 2.512 411 K HA 0.601 4.919 4.320 -0.002 0.000 0.263 411 K C -0.868 175.730 176.600 -0.003 0.000 0.966 411 K CA -0.865 55.416 56.287 -0.010 0.000 0.851 411 K CB 2.250 34.745 32.500 -0.007 0.000 1.395 411 K HN 0.193 nan 8.250 nan 0.000 0.440 412 M N -0.228 119.367 119.600 -0.008 0.000 2.389 412 M HA 0.293 4.771 4.480 -0.002 0.000 0.291 412 M C -1.520 174.781 176.300 0.002 0.000 1.128 412 M CA -1.033 54.268 55.300 0.002 0.000 0.942 412 M CB 1.424 34.032 32.600 0.012 0.000 1.783 412 M HN 0.558 nan 8.290 nan 0.000 0.501 413 N N 2.580 121.286 118.700 0.010 0.000 2.267 413 N HA 0.064 4.803 4.740 -0.002 0.000 0.226 413 N C 0.410 175.934 175.510 0.024 0.000 1.314 413 N CA -0.214 52.844 53.050 0.014 0.000 0.887 413 N CB 0.387 38.883 38.487 0.016 0.000 1.120 413 N HN 0.872 nan 8.380 nan 0.000 0.440 414 M N -0.436 119.181 119.600 0.028 0.000 2.446 414 M HA -0.066 4.413 4.480 -0.002 0.000 0.263 414 M C 0.577 176.916 176.300 0.065 0.000 1.066 414 M CA 0.999 56.325 55.300 0.045 0.000 1.087 414 M CB -1.156 31.468 32.600 0.040 0.000 1.406 414 M HN 0.569 nan 8.290 nan 0.000 0.459 415 D N -0.424 120.010 120.400 0.056 0.000 2.123 415 D HA -0.022 4.616 4.640 -0.002 0.000 0.200 415 D C 1.963 178.321 176.300 0.097 0.000 0.976 415 D CA 1.454 55.494 54.000 0.067 0.000 0.831 415 D CB -0.211 40.615 40.800 0.044 0.000 0.974 415 D HN 0.409 nan 8.370 nan 0.000 0.469 416 G N 0.405 109.252 108.800 0.077 0.000 2.408 416 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.217 416 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.217 416 G C 1.850 176.840 174.900 0.150 0.000 1.150 416 G CA 0.592 45.751 45.100 0.098 0.000 0.776 416 G HN 0.217 nan 8.290 nan 0.000 0.542 417 V N 0.462 120.443 119.914 0.111 0.000 2.358 417 V HA -0.124 3.995 4.120 -0.002 0.000 0.246 417 V C 2.857 179.100 176.094 0.248 0.000 1.047 417 V CA 1.709 64.085 62.300 0.128 0.000 1.035 417 V CB -0.440 31.424 31.823 0.068 0.000 0.658 417 V HN 0.278 nan 8.190 nan 0.000 0.452 418 R N -1.001 119.620 120.500 0.203 0.000 2.096 418 R HA -0.189 4.150 4.340 -0.002 0.000 0.235 418 R C 2.401 178.811 176.300 0.183 0.000 1.127 418 R CA 1.658 57.869 56.100 0.186 0.000 0.968 418 R CB -0.547 29.830 30.300 0.129 0.000 0.861 418 R HN 0.685 nan 8.270 nan 0.000 0.440 419 H N 1.342 120.479 119.070 0.112 0.000 2.293 419 H HA -0.153 4.402 4.556 -0.002 0.000 0.300 419 H C 2.128 177.530 175.328 0.124 0.000 1.082 419 H CA 2.177 58.279 56.048 0.089 0.000 1.308 419 H CB -0.152 29.652 29.762 0.069 0.000 1.375 419 H HN 0.295 nan 8.280 nan 0.000 0.495 420 I N -0.691 119.998 120.570 0.199 0.000 2.454 420 I HA -0.150 4.019 4.170 -0.002 0.000 0.254 420 I C 2.697 179.015 176.117 0.334 0.000 1.156 420 I CA 1.154 62.621 61.300 0.279 0.000 1.433 420 I CB -0.340 37.902 38.000 0.403 0.000 1.082 420 I HN 0.003 nan 8.210 nan 0.000 0.432 421 R N 1.443 122.138 120.500 0.324 0.000 2.066 421 R HA -0.145 4.193 4.340 -0.002 0.000 0.232 421 R C 1.691 178.016 176.300 0.041 0.000 1.131 421 R CA 2.178 58.398 56.100 0.201 0.000 0.955 421 R CB -0.481 29.899 30.300 0.133 0.000 0.851 421 R HN 0.503 nan 8.270 nan 0.000 0.432 422 D N -0.121 120.267 120.400 -0.019 0.000 2.103 422 D HA -0.150 4.489 4.640 -0.002 0.000 0.199 422 D C 1.954 178.154 176.300 -0.165 0.000 0.978 422 D CA 0.857 54.807 54.000 -0.083 0.000 0.829 422 D CB -0.362 40.386 40.800 -0.087 0.000 0.981 422 D HN 0.067 nan 8.370 nan 0.000 0.464 423 R N 0.539 120.843 120.500 -0.327 0.000 2.113 423 R HA -0.150 4.189 4.340 -0.002 0.000 0.244 423 R C 1.448 177.394 176.300 -0.590 0.000 1.142 423 R CA 1.396 57.161 56.100 -0.557 0.000 0.953 423 R CB -0.745 29.051 30.300 -0.840 0.000 0.860 423 R HN 0.157 nan 8.270 nan 0.000 0.438 424 F N 0.076 120.000 119.950 -0.042 0.000 2.641 424 F HA 0.307 4.833 4.527 -0.002 0.000 0.302 424 F C -0.081 175.728 175.800 0.016 0.000 1.098 424 F CA -0.314 57.697 58.000 0.018 0.000 1.318 424 F CB -0.329 38.720 39.000 0.083 0.000 1.035 424 F HN 0.068 nan 8.300 nan 0.000 0.551 425 N N -0.276 118.464 118.700 0.066 0.000 2.725 425 N HA -0.169 4.569 4.740 -0.002 0.000 0.251 425 N C -0.751 174.775 175.510 0.027 0.000 1.031 425 N CA 0.253 53.319 53.050 0.027 0.000 0.720 425 N CB -1.561 36.942 38.487 0.027 0.000 0.930 425 N HN -0.009 nan 8.380 nan 0.000 0.543 426 V N 0.268 120.180 119.914 -0.004 0.000 2.655 426 V HA 0.183 4.302 4.120 -0.002 0.000 0.300 426 V C -1.418 174.540 176.094 -0.228 0.000 1.044 426 V CA -0.841 61.375 62.300 -0.139 0.000 1.095 426 V CB 0.736 32.349 31.823 -0.351 0.000 0.952 426 V HN 0.129 nan 8.190 nan 0.000 0.485 427 P HA 0.253 nan 4.420 nan 0.000 0.231 427 P C -0.721 176.440 177.300 -0.231 0.000 1.811 427 P CA 0.188 63.203 63.100 -0.142 0.000 1.051 427 P CB 0.430 32.119 31.700 -0.018 0.000 1.951 428 V N 1.769 121.492 119.914 -0.319 0.000 2.569 428 V HA 0.541 4.659 4.120 -0.002 0.000 0.301 428 V C -0.026 175.962 176.094 -0.177 0.000 1.044 428 V CA -0.620 61.498 62.300 -0.304 0.000 0.874 428 V CB 2.022 33.498 31.823 -0.579 0.000 1.002 428 V HN 0.384 nan 8.190 nan 0.000 0.424 429 S N 3.572 119.217 115.700 -0.092 0.000 2.614 429 S HA 0.266 4.735 4.470 -0.002 0.000 0.265 429 S C 0.654 175.239 174.600 -0.024 0.000 1.303 429 S CA 0.115 58.286 58.200 -0.049 0.000 1.000 429 S CB 1.131 64.314 63.200 -0.028 0.000 0.935 429 S HN 0.787 nan 8.310 nan 0.000 0.551 430 D N 1.166 121.561 120.400 -0.009 0.000 2.309 430 D HA 0.016 4.654 4.640 -0.002 0.000 0.212 430 D C 1.909 178.220 176.300 0.017 0.000 0.968 430 D CA 1.448 55.455 54.000 0.011 0.000 0.882 430 D CB -0.576 40.231 40.800 0.011 0.000 0.918 430 D HN 0.692 nan 8.370 nan 0.000 0.503 431 A N 0.338 123.164 122.820 0.010 0.000 2.072 431 A HA -0.080 4.239 4.320 -0.002 0.000 0.216 431 A C 1.606 179.201 177.584 0.019 0.000 1.156 431 A CA 0.966 53.011 52.037 0.013 0.000 0.701 431 A CB 0.174 19.178 19.000 0.007 0.000 0.816 431 A HN -0.006 nan 8.150 nan 0.000 0.458 432 D N -0.691 119.721 120.400 0.020 0.000 2.323 432 D HA 0.042 4.680 4.640 -0.002 0.000 0.218 432 D C 1.797 178.139 176.300 0.069 0.000 0.973 432 D CA 0.195 54.215 54.000 0.034 0.000 0.890 432 D CB -0.290 40.523 40.800 0.022 0.000 1.011 432 D HN 0.383 nan 8.370 nan 0.000 0.499 433 I N 2.315 122.937 120.570 0.087 0.000 2.182 433 I HA -0.299 3.869 4.170 -0.002 0.000 0.248 433 I C 1.911 178.113 176.117 0.142 0.000 1.073 433 I CA 1.596 63.002 61.300 0.177 0.000 1.335 433 I CB 0.087 38.183 38.000 0.161 0.000 1.031 433 I HN 0.019 nan 8.210 nan 0.000 0.420 434 E N 0.965 121.212 120.200 0.078 0.000 2.516 434 E HA -0.191 4.158 4.350 -0.002 0.000 0.199 434 E C 1.110 177.723 176.600 0.022 0.000 1.069 434 E CA 0.662 57.089 56.400 0.046 0.000 0.876 434 E CB -0.324 29.395 29.700 0.032 0.000 0.843 434 E HN 0.575 nan 8.360 nan 0.000 0.530 435 K N 0.954 121.371 120.400 0.028 0.000 2.372 435 K HA 0.252 4.570 4.320 -0.002 0.000 0.200 435 K C 0.292 176.865 176.600 -0.044 0.000 1.022 435 K CA -0.202 56.083 56.287 -0.005 0.000 1.125 435 K CB 0.238 32.741 32.500 0.005 0.000 0.855 435 K HN 0.011 nan 8.250 nan 0.000 0.524 436 L N 1.946 123.152 121.223 -0.028 0.000 3.854 436 L HA -0.170 4.169 4.340 -0.002 0.000 0.460 436 L C -2.180 174.566 176.870 -0.206 0.000 1.228 436 L CA -0.412 54.349 54.840 -0.132 0.000 0.760 436 L CB -1.593 40.332 42.059 -0.224 0.000 1.597 436 L HN 0.099 nan 8.230 nan 0.000 0.852 437 P HA 0.128 nan 4.420 nan 0.000 0.275 437 P C -0.448 176.903 177.300 0.085 0.000 1.228 437 P CA -0.016 63.084 63.100 -0.000 0.000 0.786 437 P CB 0.625 32.392 31.700 0.112 0.000 0.927 438 Y N 1.371 121.752 120.300 0.135 0.000 2.301 438 Y HA 0.366 4.914 4.550 -0.002 0.000 0.325 438 Y C 1.088 177.109 175.900 0.202 0.000 1.203 438 Y CA -0.454 57.713 58.100 0.113 0.000 1.255 438 Y CB 0.664 39.046 38.460 -0.130 0.000 1.232 438 Y HN 0.266 nan 8.280 nan 0.000 0.501 439 I N 1.669 122.468 120.570 0.382 0.000 2.460 439 I HA 0.551 4.719 4.170 -0.002 0.000 0.298 439 I C -0.510 175.627 176.117 0.033 0.000 0.989 439 I CA -0.169 61.201 61.300 0.117 0.000 1.173 439 I CB 1.657 39.622 38.000 -0.058 0.000 1.338 439 I HN 0.670 nan 8.210 nan 0.000 0.456 440 T N 5.340 119.819 114.554 -0.125 0.000 2.906 440 T HA 0.597 4.946 4.350 -0.002 0.000 0.295 440 T C -1.484 173.053 174.700 -0.271 0.000 1.075 440 T CA -0.376 61.596 62.100 -0.214 0.000 1.005 440 T CB 1.096 69.917 68.868 -0.078 0.000 1.136 440 T HN 0.324 nan 8.240 nan 0.000 0.498 441 F N 4.143 124.141 119.950 0.080 0.000 2.427 441 F HA 0.483 5.009 4.527 -0.002 0.000 0.348 441 F C -1.892 173.977 175.800 0.115 0.000 1.125 441 F CA -2.639 55.426 58.000 0.109 0.000 0.989 441 F CB 1.510 40.600 39.000 0.151 0.000 1.165 441 F HN 0.324 nan 8.300 nan 0.000 0.442 442 P HA 0.054 nan 4.420 nan 0.000 0.275 442 P C -0.068 177.137 177.300 -0.158 0.000 1.228 442 P CA -0.328 62.788 63.100 0.027 0.000 0.786 442 P CB 1.015 32.728 31.700 0.021 0.000 0.927 443 E N 0.538 120.473 120.200 -0.442 0.000 2.502 443 E HA 0.087 4.436 4.350 -0.002 0.000 0.261 443 E C 1.226 177.659 176.600 -0.278 0.000 0.974 443 E CA 1.789 57.754 56.400 -0.725 0.000 0.936 443 E CB -0.066 29.347 29.700 -0.479 0.000 0.926 443 E HN 0.829 nan 8.360 nan 0.000 0.459 444 G N 2.866 111.566 108.800 -0.167 0.000 2.279 444 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.223 444 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.223 444 G C 0.295 175.200 174.900 0.010 0.000 1.015 444 G CA 0.275 45.349 45.100 -0.043 0.000 0.621 444 G HN 0.765 nan 8.290 nan 0.000 0.506 445 S N 0.572 116.288 115.700 0.026 0.000 2.585 445 S HA 0.564 5.032 4.470 -0.002 0.000 0.273 445 S C 1.060 175.694 174.600 0.056 0.000 1.339 445 S CA 0.522 58.746 58.200 0.040 0.000 1.028 445 S CB 2.055 65.291 63.200 0.060 0.000 0.906 445 S HN 0.192 nan 8.310 nan 0.000 0.528 446 E N 1.328 121.529 120.200 0.002 0.000 2.106 446 E HA -0.130 4.218 4.350 -0.002 0.000 0.192 446 E C 1.713 178.308 176.600 -0.009 0.000 0.984 446 E CA 1.300 57.708 56.400 0.013 0.000 0.806 446 E CB -0.282 29.404 29.700 -0.022 0.000 0.750 446 E HN 0.828 nan 8.360 nan 0.000 0.458 447 E N -0.253 119.838 120.200 -0.181 0.000 2.038 447 E HA -0.193 4.156 4.350 -0.002 0.000 0.195 447 E C 2.108 178.667 176.600 -0.068 0.000 1.000 447 E CA 1.335 57.511 56.400 -0.374 0.000 0.803 447 E CB -0.440 28.477 29.700 -1.304 0.000 0.750 447 E HN 0.340 nan 8.360 nan 0.000 0.448 448 H N 0.214 119.281 119.070 -0.006 0.000 2.353 448 H HA -0.072 4.482 4.556 -0.002 0.000 0.300 448 H C 1.676 177.149 175.328 0.242 0.000 1.090 448 H CA 1.947 58.121 56.048 0.212 0.000 1.327 448 H CB -0.015 29.871 29.762 0.207 0.000 1.383 448 H HN 0.136 nan 8.280 nan 0.000 0.508 449 T N 0.298 115.040 114.554 0.313 0.000 2.708 449 T HA -0.189 4.160 4.350 -0.002 0.000 0.266 449 T C 1.811 176.601 174.700 0.149 0.000 1.037 449 T CA 1.559 63.801 62.100 0.237 0.000 1.146 449 T CB -0.767 68.207 68.868 0.178 0.000 0.865 449 T HN 0.410 nan 8.240 nan 0.000 0.435 450 Y N 1.493 121.802 120.300 0.015 0.000 2.200 450 Y HA -0.035 4.514 4.550 -0.002 0.000 0.290 450 Y C 2.156 178.029 175.900 -0.044 0.000 1.137 450 Y CA 0.798 58.886 58.100 -0.019 0.000 1.163 450 Y CB -0.410 38.029 38.460 -0.035 0.000 0.988 450 Y HN 0.112 nan 8.280 nan 0.000 0.518 451 L N -0.598 120.699 121.223 0.123 0.000 2.046 451 L HA -0.246 4.093 4.340 -0.002 0.000 0.208 451 L C 2.246 179.004 176.870 -0.186 0.000 1.077 451 L CA 2.068 56.893 54.840 -0.025 0.000 0.747 451 L CB -0.855 41.159 42.059 -0.076 0.000 0.896 451 L HN 0.282 nan 8.230 nan 0.000 0.432 452 H N -0.782 118.243 119.070 -0.075 0.000 2.415 452 H HA 0.145 4.700 4.556 -0.002 0.000 0.297 452 H C 2.159 177.425 175.328 -0.105 0.000 1.048 452 H CA 1.051 57.076 56.048 -0.037 0.000 1.365 452 H CB -0.076 29.643 29.762 -0.072 0.000 1.421 452 H HN 0.532 nan 8.280 nan 0.000 0.533 453 A N 1.399 124.195 122.820 -0.039 0.000 1.877 453 A HA -0.177 4.141 4.320 -0.002 0.000 0.216 453 A C 2.337 179.782 177.584 -0.230 0.000 1.186 453 A CA 1.247 53.208 52.037 -0.127 0.000 0.620 453 A CB -0.229 18.677 19.000 -0.158 0.000 0.822 453 A HN 0.260 nan 8.150 nan 0.000 0.443 454 Q N -0.441 119.151 119.800 -0.347 0.000 2.135 454 Q HA -0.132 4.206 4.340 -0.002 0.000 0.204 454 Q C 2.118 177.958 176.000 -0.265 0.000 0.981 454 Q CA 1.216 56.795 55.803 -0.374 0.000 0.856 454 Q CB -0.440 28.017 28.738 -0.469 0.000 0.902 454 Q HN 0.491 nan 8.270 nan 0.000 0.425 455 R N 0.326 120.679 120.500 -0.244 0.000 2.119 455 R HA 0.001 4.340 4.340 -0.002 0.000 0.222 455 R C 2.053 178.145 176.300 -0.347 0.000 1.088 455 R CA 0.671 56.587 56.100 -0.306 0.000 0.984 455 R CB -0.172 29.830 30.300 -0.498 0.000 0.884 455 R HN 0.296 nan 8.270 nan 0.000 0.447 456 Q N 0.693 120.332 119.800 -0.269 0.000 2.167 456 Q HA -0.051 4.288 4.340 -0.002 0.000 0.202 456 Q C 1.738 177.616 176.000 -0.203 0.000 0.970 456 Q CA 1.217 56.901 55.803 -0.197 0.000 0.855 456 Q CB -0.036 28.644 28.738 -0.096 0.000 0.911 456 Q HN 0.168 nan 8.270 nan 0.000 0.438 457 K N -0.069 120.201 120.400 -0.217 0.000 2.283 457 K HA 0.017 4.336 4.320 -0.002 0.000 0.202 457 K C 1.229 177.624 176.600 -0.341 0.000 1.048 457 K CA 0.509 56.655 56.287 -0.236 0.000 0.948 457 K CB 0.181 32.559 32.500 -0.204 0.000 0.742 457 K HN 0.087 nan 8.250 nan 0.000 0.458 458 L N 0.340 121.375 121.223 -0.313 0.000 2.872 458 L HA 0.165 4.503 4.340 -0.002 0.000 0.245 458 L C -0.426 176.305 176.870 -0.232 0.000 1.211 458 L CA -0.180 54.483 54.840 -0.296 0.000 1.013 458 L CB -0.078 41.916 42.059 -0.108 0.000 1.326 458 L HN 0.382 nan 8.230 nan 0.000 0.525 459 H N -1.736 117.296 119.070 -0.063 0.000 3.270 459 H HA -0.139 4.416 4.556 -0.002 0.000 0.215 459 H C 0.860 176.138 175.328 -0.082 0.000 1.133 459 H CA 0.657 56.676 56.048 -0.048 0.000 1.150 459 H CB -1.399 28.361 29.762 -0.004 0.000 1.166 459 H HN 0.565 nan 8.280 nan 0.000 0.315 460 G N -0.779 107.932 108.800 -0.148 0.000 2.301 460 G HA2 0.035 3.994 3.960 -0.002 0.000 0.194 460 G HA3 0.035 3.994 3.960 -0.002 0.000 0.194 460 G C -1.526 173.034 174.900 -0.567 0.000 1.266 460 G CA -0.345 44.560 45.100 -0.326 0.000 1.210 460 G HN 0.189 nan 8.290 nan 0.000 0.524 461 Y N 0.482 120.831 120.300 0.081 0.000 2.485 461 Y HA 0.820 5.369 4.550 -0.002 0.000 0.345 461 Y C 0.635 176.564 175.900 0.049 0.000 0.998 461 Y CA -0.645 57.501 58.100 0.076 0.000 1.059 461 Y CB 2.003 40.482 38.460 0.031 0.000 1.234 461 Y HN 0.877 nan 8.280 nan 0.000 0.461 462 L N 0.570 121.931 121.223 0.230 0.000 2.469 462 L HA 0.854 5.193 4.340 -0.002 0.000 0.256 462 L C -3.112 173.780 176.870 0.038 0.000 1.006 462 L CA -2.352 52.537 54.840 0.081 0.000 0.832 462 L CB 2.592 44.717 42.059 0.110 0.000 1.421 462 L HN 0.284 nan 8.230 nan 0.000 0.410 463 P HA 0.298 nan 4.420 nan 0.000 0.274 463 P C -0.885 176.027 177.300 -0.646 0.000 1.237 463 P CA -0.116 62.707 63.100 -0.462 0.000 0.793 463 P CB 1.593 32.910 31.700 -0.640 0.000 0.977 464 S N 0.632 116.104 115.700 -0.381 0.000 2.543 464 S HA 0.609 5.078 4.470 -0.002 0.000 0.274 464 S C -1.300 173.200 174.600 -0.166 0.000 1.149 464 S CA -0.931 57.113 58.200 -0.259 0.000 0.866 464 S CB 2.058 65.192 63.200 -0.110 0.000 1.111 464 S HN 0.631 nan 8.310 nan 0.000 0.457 465 R N 1.337 121.774 120.500 -0.105 0.000 2.651 465 R HA 0.429 4.768 4.340 -0.002 0.000 0.278 465 R C -1.401 174.884 176.300 -0.024 0.000 1.010 465 R CA -0.508 55.546 56.100 -0.077 0.000 0.896 465 R CB 1.877 32.129 30.300 -0.080 0.000 1.211 465 R HN 0.894 nan 8.270 nan 0.000 0.456 466 Q N 5.111 124.903 119.800 -0.014 0.000 2.372 466 Q HA 0.359 4.698 4.340 -0.002 0.000 0.259 466 Q C -2.086 173.944 176.000 0.050 0.000 0.993 466 Q CA -1.932 53.886 55.803 0.025 0.000 0.854 466 Q CB 2.079 30.843 28.738 0.042 0.000 1.231 466 Q HN 0.340 nan 8.270 nan 0.000 0.462 467 P HA -0.138 nan 4.420 nan 0.000 0.220 467 P C -0.555 176.865 177.300 0.200 0.000 1.148 467 P CA 0.946 64.116 63.100 0.116 0.000 0.803 467 P CB 0.310 32.050 31.700 0.068 0.000 0.782 468 N N -0.355 118.424 118.700 0.132 0.000 2.229 468 N HA 0.289 5.028 4.740 -0.002 0.000 0.298 468 N C -0.343 175.249 175.510 0.137 0.000 1.114 468 N CA -0.640 52.450 53.050 0.065 0.000 0.776 468 N CB 1.517 39.931 38.487 -0.122 0.000 1.501 468 N HN -0.061 nan 8.380 nan 0.000 0.474 469 F N -1.074 118.997 119.950 0.202 0.000 2.370 469 F HA 0.466 4.992 4.527 -0.002 0.000 0.324 469 F C 1.757 177.623 175.800 0.109 0.000 1.116 469 F CA -0.652 57.457 58.000 0.182 0.000 1.123 469 F CB 0.120 39.267 39.000 0.245 0.000 1.238 469 F HN 0.485 nan 8.300 nan 0.000 0.536 470 T N -2.328 112.420 114.554 0.323 0.000 3.010 470 T HA 0.058 4.407 4.350 -0.002 0.000 0.252 470 T C 0.537 175.376 174.700 0.232 0.000 1.047 470 T CA 0.362 62.570 62.100 0.180 0.000 1.140 470 T CB -0.668 68.279 68.868 0.131 0.000 0.885 470 T HN 0.821 nan 8.240 nan 0.000 0.464 471 E N 1.531 121.939 120.200 0.348 0.000 2.425 471 E HA 0.130 4.479 4.350 -0.002 0.000 0.258 471 E C -0.422 176.381 176.600 0.338 0.000 1.151 471 E CA -0.515 56.047 56.400 0.271 0.000 0.958 471 E CB 0.474 30.291 29.700 0.195 0.000 0.968 471 E HN 0.002 nan 8.360 nan 0.000 0.451 472 K N 2.428 122.956 120.400 0.214 0.000 2.265 472 K HA 0.330 4.649 4.320 -0.002 0.000 0.267 472 K C -0.643 176.062 176.600 0.175 0.000 0.994 472 K CA -0.606 55.800 56.287 0.199 0.000 0.860 472 K CB 0.974 33.544 32.500 0.118 0.000 1.099 472 K HN 0.509 nan 8.250 nan 0.000 0.448 473 L N 2.632 123.982 121.223 0.211 0.000 2.343 473 L HA 0.290 4.629 4.340 -0.002 0.000 0.275 473 L C 0.577 177.518 176.870 0.119 0.000 1.056 473 L CA -0.633 54.292 54.840 0.142 0.000 0.804 473 L CB 1.118 43.266 42.059 0.148 0.000 1.203 473 L HN 0.313 nan 8.230 nan 0.000 0.440 474 E N 4.316 124.566 120.200 0.084 0.000 2.373 474 E HA 0.304 4.653 4.350 -0.002 0.000 0.233 474 E C -0.501 176.145 176.600 0.077 0.000 1.035 474 E CA -0.319 56.125 56.400 0.074 0.000 0.930 474 E CB 0.489 30.219 29.700 0.050 0.000 1.278 474 E HN 0.420 nan 8.360 nan 0.000 0.452 475 L N 3.070 124.357 121.223 0.107 0.000 2.483 475 L HA 0.134 4.473 4.340 -0.002 0.000 0.276 475 L C -1.575 175.377 176.870 0.137 0.000 1.213 475 L CA -1.396 53.521 54.840 0.129 0.000 0.843 475 L CB -0.377 41.776 42.059 0.158 0.000 1.107 475 L HN 0.089 nan 8.230 nan 0.000 0.487 476 P HA 0.064 nan 4.420 nan 0.000 0.269 476 P C -0.578 176.883 177.300 0.267 0.000 1.215 476 P CA -0.442 62.714 63.100 0.093 0.000 0.780 476 P CB 0.863 32.511 31.700 -0.087 0.000 0.898 477 S N 1.307 117.097 115.700 0.151 0.000 2.669 477 S HA 0.145 4.614 4.470 -0.002 0.000 0.270 477 S C 1.141 175.767 174.600 0.044 0.000 1.225 477 S CA -0.658 57.641 58.200 0.165 0.000 0.991 477 S CB 0.292 63.528 63.200 0.060 0.000 0.987 477 S HN 0.309 nan 8.310 nan 0.000 0.552 478 L N 0.863 121.881 121.223 -0.341 0.000 2.131 478 L HA -0.022 4.316 4.340 -0.002 0.000 0.210 478 L C 2.673 179.543 176.870 0.000 0.000 1.092 478 L CA 1.800 56.416 54.840 -0.373 0.000 0.759 478 L CB -1.326 40.442 42.059 -0.485 0.000 0.903 478 L HN 0.966 nan 8.230 nan 0.000 0.435 479 Q N -0.953 118.825 119.800 -0.037 0.000 2.226 479 Q HA -0.212 4.127 4.340 -0.002 0.000 0.204 479 Q C 1.291 177.267 176.000 -0.041 0.000 0.975 479 Q CA 1.476 57.264 55.803 -0.024 0.000 0.866 479 Q CB 0.049 28.768 28.738 -0.030 0.000 0.915 479 Q HN 0.557 nan 8.270 nan 0.000 0.440 480 D N -0.580 119.763 120.400 -0.095 0.000 2.312 480 D HA -0.099 4.539 4.640 -0.002 0.000 0.211 480 D C 0.260 176.355 176.300 -0.342 0.000 0.964 480 D CA 0.794 54.642 54.000 -0.253 0.000 0.877 480 D CB 0.047 40.613 40.800 -0.390 0.000 0.924 480 D HN 0.264 nan 8.370 nan 0.000 0.515 481 F N -0.196 119.712 119.950 -0.069 0.000 2.668 481 F HA 0.292 4.818 4.527 -0.002 0.000 0.297 481 F C 2.134 177.905 175.800 -0.050 0.000 1.124 481 F CA -0.526 57.440 58.000 -0.057 0.000 1.353 481 F CB 0.237 39.205 39.000 -0.053 0.000 0.992 481 F HN -0.150 nan 8.300 nan 0.000 0.524 482 G N 0.635 109.476 108.800 0.069 0.000 2.469 482 G HA2 -0.301 3.657 3.960 -0.002 0.000 0.219 482 G HA3 -0.301 3.657 3.960 -0.002 0.000 0.219 482 G C 1.938 176.856 174.900 0.031 0.000 1.150 482 G CA 1.001 46.121 45.100 0.033 0.000 0.763 482 G HN 0.438 nan 8.290 nan 0.000 0.561 483 A N 0.297 123.131 122.820 0.023 0.000 1.972 483 A HA 0.140 4.459 4.320 -0.002 0.000 0.219 483 A C 2.357 179.966 177.584 0.043 0.000 1.169 483 A CA 1.100 53.149 52.037 0.020 0.000 0.635 483 A CB -0.306 18.697 19.000 0.004 0.000 0.810 483 A HN 0.375 nan 8.150 nan 0.000 0.446 484 L N -0.604 120.665 121.223 0.075 0.000 2.376 484 L HA -0.013 4.326 4.340 -0.002 0.000 0.219 484 L C 1.799 178.744 176.870 0.125 0.000 1.133 484 L CA 0.361 55.260 54.840 0.097 0.000 0.816 484 L CB -0.206 41.926 42.059 0.122 0.000 0.933 484 L HN 0.387 nan 8.230 nan 0.000 0.449 485 L N -0.741 120.538 121.223 0.093 0.000 2.558 485 L HA 0.051 4.390 4.340 -0.002 0.000 0.225 485 L C 0.825 177.697 176.870 0.002 0.000 1.128 485 L CA 0.135 55.013 54.840 0.063 0.000 0.868 485 L CB -0.265 41.797 42.059 0.005 0.000 1.006 485 L HN 0.292 nan 8.230 nan 0.000 0.454 486 E N 0.901 121.112 120.200 0.018 0.000 2.232 486 E HA 0.241 4.590 4.350 -0.002 0.000 0.265 486 E C -0.544 176.062 176.600 0.010 0.000 1.001 486 E CA -0.813 55.584 56.400 -0.006 0.000 0.870 486 E CB 1.209 30.907 29.700 -0.005 0.000 1.175 486 E HN 0.051 nan 8.360 nan 0.000 0.407 487 E N 1.340 121.537 120.200 -0.005 0.000 2.481 487 E HA -0.107 4.242 4.350 -0.002 0.000 0.263 487 E C -0.581 176.020 176.600 0.001 0.000 0.992 487 E CA 0.131 56.525 56.400 -0.009 0.000 0.938 487 E CB 0.592 30.312 29.700 0.034 0.000 0.933 487 E HN 0.215 nan 8.360 nan 0.000 0.453 488 Q N 2.931 122.710 119.800 -0.036 0.000 2.241 488 Q HA 0.086 4.424 4.340 -0.002 0.000 0.254 488 Q C 0.321 176.354 176.000 0.056 0.000 0.917 488 Q CA -0.170 55.634 55.803 0.002 0.000 0.919 488 Q CB 1.799 30.528 28.738 -0.015 0.000 1.237 488 Q HN 0.747 nan 8.270 nan 0.000 0.434 489 S N 2.813 118.547 115.700 0.057 0.000 2.345 489 S HA -0.045 4.424 4.470 -0.002 0.000 0.220 489 S C 0.355 175.004 174.600 0.083 0.000 1.031 489 S CA 1.092 59.336 58.200 0.073 0.000 0.996 489 S CB 0.329 63.556 63.200 0.045 0.000 0.882 489 S HN 0.444 nan 8.310 nan 0.000 0.445 490 K N 1.760 122.195 120.400 0.058 0.000 2.118 490 K HA 0.305 4.624 4.320 -0.002 0.000 0.264 490 K C -0.533 176.105 176.600 0.064 0.000 1.000 490 K CA -0.348 55.973 56.287 0.056 0.000 0.929 490 K CB 0.693 33.212 32.500 0.032 0.000 1.021 490 K HN 0.362 nan 8.250 nan 0.000 0.463 491 E N 2.774 123.018 120.200 0.072 0.000 2.223 491 E HA 0.160 4.509 4.350 -0.002 0.000 0.282 491 E C 0.065 176.666 176.600 0.002 0.000 1.046 491 E CA -0.144 56.299 56.400 0.072 0.000 0.857 491 E CB 0.422 30.184 29.700 0.103 0.000 1.055 491 E HN 0.431 nan 8.360 nan 0.000 0.409 492 I N -1.124 119.417 120.570 -0.049 0.000 3.445 492 I HA 0.605 4.773 4.170 -0.002 0.000 0.303 492 I C -0.043 175.941 176.117 -0.222 0.000 1.129 492 I CA -1.040 60.207 61.300 -0.088 0.000 0.989 492 I CB 2.014 39.986 38.000 -0.046 0.000 1.314 492 I HN 0.378 nan 8.210 nan 0.000 0.488 493 S N -0.835 114.756 115.700 -0.183 0.000 2.726 493 S HA 0.390 4.858 4.470 -0.002 0.000 0.308 493 S C 0.760 175.288 174.600 -0.121 0.000 1.115 493 S CA 0.143 58.193 58.200 -0.249 0.000 0.965 493 S CB 1.327 64.436 63.200 -0.152 0.000 1.145 493 S HN 0.857 nan 8.310 nan 0.000 0.532 494 T N -2.058 112.441 114.554 -0.091 0.000 3.035 494 T HA -0.024 4.325 4.350 -0.002 0.000 0.268 494 T C 1.493 176.215 174.700 0.037 0.000 1.109 494 T CA 1.518 63.611 62.100 -0.012 0.000 1.119 494 T CB -1.060 67.809 68.868 0.003 0.000 0.900 494 T HN 0.611 nan 8.240 nan 0.000 0.503 495 T N 1.757 116.331 114.554 0.034 0.000 2.942 495 T HA 0.255 4.604 4.350 -0.002 0.000 0.265 495 T C 1.821 176.608 174.700 0.144 0.000 1.062 495 T CA 0.573 62.729 62.100 0.094 0.000 1.139 495 T CB -0.287 68.636 68.868 0.092 0.000 0.883 495 T HN 0.373 nan 8.240 nan 0.000 0.468 496 I N 1.264 121.875 120.570 0.067 0.000 2.315 496 I HA -0.124 4.045 4.170 -0.002 0.000 0.248 496 I C 2.846 178.977 176.117 0.023 0.000 1.117 496 I CA 0.819 62.142 61.300 0.039 0.000 1.404 496 I CB -0.355 37.648 38.000 0.004 0.000 1.071 496 I HN 0.187 nan 8.210 nan 0.000 0.419 497 A N 0.865 123.706 122.820 0.035 0.000 1.902 497 A HA -0.276 4.042 4.320 -0.002 0.000 0.217 497 A C 2.211 179.814 177.584 0.031 0.000 1.181 497 A CA 1.613 53.668 52.037 0.031 0.000 0.623 497 A CB -0.947 18.077 19.000 0.039 0.000 0.818 497 A HN 0.507 nan 8.150 nan 0.000 0.443 498 F N 0.865 120.783 119.950 -0.054 0.000 2.113 498 F HA -0.125 4.401 4.527 -0.002 0.000 0.297 498 F C 2.061 177.798 175.800 -0.104 0.000 1.103 498 F CA 1.943 59.894 58.000 -0.082 0.000 1.248 498 F CB -0.489 38.461 39.000 -0.084 0.000 0.999 498 F HN 0.005 nan 8.300 nan 0.000 0.475 499 V N 1.317 120.976 119.914 -0.425 0.000 2.407 499 V HA -0.274 3.845 4.120 -0.002 0.000 0.248 499 V C 2.582 178.450 176.094 -0.376 0.000 1.055 499 V CA 2.216 64.211 62.300 -0.508 0.000 1.049 499 V CB -0.809 30.927 31.823 -0.146 0.000 0.662 499 V HN 0.312 nan 8.190 nan 0.000 0.455 500 R N -0.001 120.370 120.500 -0.214 0.000 2.096 500 R HA -0.097 4.242 4.340 -0.002 0.000 0.235 500 R C 2.412 178.626 176.300 -0.143 0.000 1.127 500 R CA 1.426 57.442 56.100 -0.140 0.000 0.968 500 R CB -0.511 29.752 30.300 -0.061 0.000 0.861 500 R HN 0.542 nan 8.270 nan 0.000 0.440 501 A N 0.947 123.674 122.820 -0.155 0.000 1.969 501 A HA -0.129 4.189 4.320 -0.002 0.000 0.218 501 A C 2.021 179.485 177.584 -0.200 0.000 1.169 501 A CA 0.837 52.859 52.037 -0.026 0.000 0.635 501 A CB -0.308 18.673 19.000 -0.032 0.000 0.810 501 A HN 0.221 nan 8.150 nan 0.000 0.445 502 L N 0.315 121.229 121.223 -0.515 0.000 2.056 502 L HA -0.126 4.212 4.340 -0.002 0.000 0.207 502 L C 1.885 178.548 176.870 -0.344 0.000 1.078 502 L CA 1.949 56.426 54.840 -0.604 0.000 0.749 502 L CB -0.667 40.902 42.059 -0.818 0.000 0.901 502 L HN 0.326 nan 8.230 nan 0.000 0.433 503 N N -0.715 117.822 118.700 -0.271 0.000 2.188 503 N HA -0.136 4.602 4.740 -0.002 0.000 0.184 503 N C 1.865 177.273 175.510 -0.171 0.000 1.018 503 N CA 1.529 54.467 53.050 -0.186 0.000 0.858 503 N CB -0.141 38.255 38.487 -0.152 0.000 0.989 503 N HN 0.262 nan 8.380 nan 0.000 0.426 504 V N 1.880 121.680 119.914 -0.190 0.000 2.295 504 V HA -0.219 3.900 4.120 -0.002 0.000 0.246 504 V C 2.409 178.356 176.094 -0.245 0.000 1.049 504 V CA 1.412 63.559 62.300 -0.254 0.000 1.024 504 V CB -0.380 31.191 31.823 -0.420 0.000 0.648 504 V HN 0.281 nan 8.190 nan 0.000 0.447 505 M N -1.013 118.465 119.600 -0.203 0.000 2.108 505 M HA -0.185 4.294 4.480 -0.002 0.000 0.261 505 M C 2.030 178.264 176.300 -0.111 0.000 1.066 505 M CA 1.587 56.808 55.300 -0.133 0.000 1.107 505 M CB -0.492 32.043 32.600 -0.108 0.000 1.356 505 M HN 0.249 nan 8.290 nan 0.000 0.406 506 L N 0.791 121.938 121.223 -0.126 0.000 2.450 506 L HA -0.138 4.200 4.340 -0.002 0.000 0.224 506 L C 2.118 178.940 176.870 -0.080 0.000 1.149 506 L CA 1.598 56.384 54.840 -0.090 0.000 0.816 506 L CB -0.997 41.004 42.059 -0.096 0.000 0.932 506 L HN 0.337 nan 8.230 nan 0.000 0.449 507 K N -0.559 119.780 120.400 -0.101 0.000 2.358 507 K HA 0.003 4.322 4.320 -0.002 0.000 0.197 507 K C 0.470 177.018 176.600 -0.085 0.000 1.025 507 K CA -0.153 56.079 56.287 -0.092 0.000 1.104 507 K CB 0.149 32.583 32.500 -0.109 0.000 0.855 507 K HN 0.189 nan 8.250 nan 0.000 0.531 508 N N 2.137 120.788 118.700 -0.081 0.000 2.406 508 N HA 0.043 4.781 4.740 -0.002 0.000 0.251 508 N C 0.082 175.570 175.510 -0.037 0.000 1.069 508 N CA 0.096 53.110 53.050 -0.061 0.000 0.947 508 N CB 1.188 39.645 38.487 -0.050 0.000 1.111 508 N HN 0.086 nan 8.380 nan 0.000 0.497 509 K N 1.465 121.846 120.400 -0.031 0.000 2.044 509 K HA -0.183 4.136 4.320 -0.002 0.000 0.210 509 K C 1.854 178.446 176.600 -0.014 0.000 1.049 509 K CA 1.522 57.797 56.287 -0.022 0.000 0.927 509 K CB -0.105 32.385 32.500 -0.017 0.000 0.713 509 K HN 0.476 nan 8.250 nan 0.000 0.443 510 S N 1.167 116.864 115.700 -0.006 0.000 2.348 510 S HA -0.124 4.344 4.470 -0.002 0.000 0.221 510 S C 1.869 176.465 174.600 -0.006 0.000 1.033 510 S CA 1.628 59.829 58.200 0.002 0.000 1.010 510 S CB -0.161 63.050 63.200 0.018 0.000 0.891 510 S HN 0.436 nan 8.310 nan 0.000 0.442 511 I N -0.673 119.894 120.570 -0.006 0.000 3.968 511 I HA 0.266 4.434 4.170 -0.002 0.000 0.328 511 I C 1.776 177.888 176.117 -0.008 0.000 1.290 511 I CA 0.344 61.636 61.300 -0.013 0.000 1.163 511 I CB -0.278 37.722 38.000 -0.000 0.000 1.024 511 I HN 0.209 nan 8.210 nan 0.000 0.413 512 K N 1.574 121.966 120.400 -0.013 0.000 2.077 512 K HA -0.232 4.086 4.320 -0.002 0.000 0.213 512 K C 1.137 177.736 176.600 -0.002 0.000 1.051 512 K CA 2.504 58.782 56.287 -0.015 0.000 0.929 512 K CB -0.664 31.820 32.500 -0.027 0.000 0.715 512 K HN 0.343 nan 8.250 nan 0.000 0.451 513 D N -0.083 120.312 120.400 -0.009 0.000 2.347 513 D HA -0.019 4.619 4.640 -0.002 0.000 0.213 513 D C 1.505 177.808 176.300 0.005 0.000 0.985 513 D CA 0.408 54.402 54.000 -0.009 0.000 0.879 513 D CB 0.128 40.910 40.800 -0.030 0.000 0.919 513 D HN 0.254 nan 8.370 nan 0.000 0.526 514 R N 0.327 120.830 120.500 0.005 0.000 2.297 514 R HA 0.170 4.508 4.340 -0.002 0.000 0.197 514 R C 0.813 177.150 176.300 0.062 0.000 0.943 514 R CA -0.067 56.038 56.100 0.009 0.000 1.038 514 R CB 0.036 30.299 30.300 -0.061 0.000 0.957 514 R HN 0.212 nan 8.270 nan 0.000 0.484 515 L N 1.306 122.588 121.223 0.097 0.000 2.380 515 L HA 0.173 4.512 4.340 -0.002 0.000 0.273 515 L C 0.153 177.168 176.870 0.241 0.000 1.138 515 L CA -0.294 54.658 54.840 0.186 0.000 0.832 515 L CB 1.080 43.231 42.059 0.154 0.000 1.124 515 L HN -0.284 nan 8.230 nan 0.000 0.454 516 V N 3.901 123.996 119.914 0.302 0.000 2.320 516 V HA 0.247 4.365 4.120 -0.002 0.000 0.268 516 V C -2.279 174.015 176.094 0.333 0.000 1.021 516 V CA -1.521 60.957 62.300 0.297 0.000 0.813 516 V CB 1.028 33.000 31.823 0.248 0.000 1.054 516 V HN 0.598 nan 8.190 nan 0.000 0.444 517 P HA 0.404 nan 4.420 nan 0.000 0.276 517 P C -0.575 176.914 177.300 0.316 0.000 1.243 517 P CA 0.187 63.500 63.100 0.356 0.000 0.768 517 P CB 0.727 32.588 31.700 0.268 0.000 0.856 518 I N 4.628 125.425 120.570 0.378 0.000 2.498 518 I HA 0.513 4.681 4.170 -0.002 0.000 0.290 518 I C 0.260 176.631 176.117 0.424 0.000 1.032 518 I CA -0.962 60.519 61.300 0.302 0.000 1.073 518 I CB 1.625 39.740 38.000 0.191 0.000 1.251 518 I HN 0.247 nan 8.210 nan 0.000 0.426 519 I N 1.936 122.707 120.570 0.335 0.000 2.828 519 I HA 0.891 5.060 4.170 -0.002 0.000 0.302 519 I C -0.461 175.838 176.117 0.304 0.000 1.101 519 I CA -0.865 60.688 61.300 0.422 0.000 1.031 519 I CB 2.436 40.689 38.000 0.421 0.000 1.231 519 I HN 0.558 nan 8.210 nan 0.000 0.427 520 A N 3.054 126.083 122.820 0.349 0.000 3.047 520 A HA 0.579 4.898 4.320 -0.002 0.000 0.337 520 A C -0.184 177.481 177.584 0.135 0.000 1.143 520 A CA -0.211 51.941 52.037 0.192 0.000 0.905 520 A CB -0.618 18.506 19.000 0.206 0.000 1.088 520 A HN 0.934 nan 8.150 nan 0.000 0.488 521 D N 0.836 121.326 120.400 0.151 0.000 3.831 521 D HA -0.264 4.374 4.640 -0.002 0.000 0.276 521 D C 0.653 177.034 176.300 0.135 0.000 2.100 521 D CA 2.091 56.171 54.000 0.134 0.000 1.140 521 D CB -0.333 40.501 40.800 0.057 0.000 0.949 521 D HN 0.815 nan 8.370 nan 0.000 1.144 522 E N -3.440 116.795 120.200 0.059 0.000 3.799 522 E HA -0.331 4.018 4.350 -0.002 0.000 0.320 522 E C 1.075 177.650 176.600 -0.042 0.000 0.760 522 E CA 1.185 57.545 56.400 -0.067 0.000 1.153 522 E CB -1.715 27.804 29.700 -0.302 0.000 1.589 522 E HN 0.489 nan 8.360 nan 0.000 0.448 523 A N 0.853 123.819 122.820 0.243 0.000 1.972 523 A HA -0.162 4.156 4.320 -0.002 0.000 0.219 523 A C 2.008 179.690 177.584 0.162 0.000 1.169 523 A CA 1.688 53.933 52.037 0.347 0.000 0.635 523 A CB -0.335 18.946 19.000 0.468 0.000 0.810 523 A HN 0.276 nan 8.150 nan 0.000 0.446 524 R N -0.984 119.583 120.500 0.111 0.000 2.115 524 R HA -0.069 4.270 4.340 -0.002 0.000 0.230 524 R C 2.024 178.321 176.300 -0.004 0.000 1.111 524 R CA 1.631 57.763 56.100 0.053 0.000 0.976 524 R CB -0.662 29.689 30.300 0.085 0.000 0.870 524 R HN 0.488 nan 8.270 nan 0.000 0.445 525 T N 0.651 115.142 114.554 -0.106 0.000 2.867 525 T HA -0.067 4.282 4.350 -0.002 0.000 0.268 525 T C 0.970 175.565 174.700 -0.177 0.000 1.057 525 T CA 1.072 63.054 62.100 -0.197 0.000 1.136 525 T CB -0.101 68.585 68.868 -0.304 0.000 0.874 525 T HN 0.095 nan 8.240 nan 0.000 0.466 526 F N 0.665 120.704 119.950 0.149 0.000 2.765 526 F HA 0.390 4.915 4.527 -0.003 0.000 0.302 526 F C 1.878 177.722 175.800 0.073 0.000 1.111 526 F CA -0.729 57.343 58.000 0.120 0.000 1.359 526 F CB -0.795 38.299 39.000 0.157 0.000 1.097 526 F HN 0.229 nan 8.300 nan 0.000 0.577 527 G N 0.919 109.813 108.800 0.157 0.000 2.246 527 G HA2 -0.330 3.628 3.960 -0.002 0.000 0.273 527 G HA3 -0.330 3.628 3.960 -0.002 0.000 0.273 527 G C 0.667 175.591 174.900 0.039 0.000 1.055 527 G CA 0.504 45.647 45.100 0.072 0.000 0.851 527 G HN 0.400 nan 8.290 nan 0.000 0.500 528 M N 0.107 119.732 119.600 0.041 0.000 2.405 528 M HA 0.148 4.627 4.480 -0.002 0.000 0.292 528 M C 2.018 178.116 176.300 -0.338 0.000 1.111 528 M CA 0.430 55.704 55.300 -0.044 0.000 0.979 528 M CB 0.178 32.846 32.600 0.113 0.000 1.426 528 M HN 0.386 nan 8.290 nan 0.000 0.509 529 E N 0.645 120.589 120.200 -0.427 0.000 2.204 529 E HA -0.126 4.223 4.350 -0.002 0.000 0.195 529 E C 1.727 177.857 176.600 -0.783 0.000 0.990 529 E CA 1.712 57.573 56.400 -0.897 0.000 0.821 529 E CB -0.665 28.812 29.700 -0.372 0.000 0.750 529 E HN 0.512 nan 8.360 nan 0.000 0.477 530 G N 1.131 109.695 108.800 -0.394 0.000 2.509 530 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.218 530 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.218 530 G C 1.479 176.227 174.900 -0.254 0.000 1.124 530 G CA 0.302 45.239 45.100 -0.273 0.000 0.776 530 G HN 0.149 nan 8.290 nan 0.000 0.547 531 L N 0.200 121.250 121.223 -0.288 0.000 2.141 531 L HA 0.154 4.493 4.340 -0.002 0.000 0.209 531 L C 2.471 179.348 176.870 0.012 0.000 1.094 531 L CA 0.660 55.425 54.840 -0.125 0.000 0.763 531 L CB -0.929 41.092 42.059 -0.064 0.000 0.908 531 L HN 0.163 nan 8.230 nan 0.000 0.437 532 F N -0.044 119.863 119.950 -0.073 0.000 2.065 532 F HA -0.237 4.288 4.527 -0.004 0.000 0.298 532 F C 2.759 178.485 175.800 -0.125 0.000 1.112 532 F CA 1.486 59.416 58.000 -0.115 0.000 1.212 532 F CB -1.305 37.587 39.000 -0.179 0.000 0.975 532 F HN 0.151 nan 8.300 nan 0.000 0.476 533 R N 0.655 121.139 120.500 -0.027 0.000 2.075 533 R HA -0.194 4.145 4.340 -0.002 0.000 0.232 533 R C 2.218 178.493 176.300 -0.042 0.000 1.126 533 R CA 1.626 57.638 56.100 -0.148 0.000 0.963 533 R CB -0.476 29.531 30.300 -0.487 0.000 0.858 533 R HN 0.427 nan 8.270 nan 0.000 0.435 534 Q N 0.623 120.395 119.800 -0.045 0.000 1.993 534 Q HA -0.156 4.182 4.340 -0.002 0.000 0.202 534 Q C 1.994 178.001 176.000 0.013 0.000 0.984 534 Q CA 2.409 58.199 55.803 -0.021 0.000 0.837 534 Q CB -0.036 28.679 28.738 -0.039 0.000 0.902 534 Q HN 0.632 nan 8.270 nan 0.000 0.423 535 I N -4.261 116.333 120.570 0.039 0.000 4.139 535 I HA 0.478 4.647 4.170 -0.002 0.000 0.335 535 I C 0.590 176.757 176.117 0.084 0.000 1.327 535 I CA 0.086 61.421 61.300 0.057 0.000 1.112 535 I CB 0.751 38.790 38.000 0.064 0.000 1.058 535 I HN 0.212 nan 8.210 nan 0.000 0.396 536 G N 2.546 111.402 108.800 0.093 0.000 2.731 536 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.686 536 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.686 536 G C -0.815 174.133 174.900 0.080 0.000 1.395 536 G CA -0.571 44.576 45.100 0.080 0.000 0.870 536 G HN 0.312 nan 8.290 nan 0.000 0.591 537 I N 1.423 121.976 120.570 -0.028 0.000 2.353 537 I HA 0.294 4.463 4.170 -0.002 0.000 0.293 537 I C 0.601 176.735 176.117 0.029 0.000 0.992 537 I CA -0.839 60.417 61.300 -0.073 0.000 1.268 537 I CB 1.321 39.087 38.000 -0.390 0.000 1.387 537 I HN 0.600 nan 8.210 nan 0.000 0.478 538 Y N 6.678 126.990 120.300 0.020 0.000 2.544 538 Y HA 0.193 4.742 4.550 -0.003 0.000 0.330 538 Y C 0.107 175.998 175.900 -0.014 0.000 1.136 538 Y CA 0.222 58.355 58.100 0.055 0.000 1.417 538 Y CB 0.662 39.248 38.460 0.211 0.000 1.229 538 Y HN 0.474 nan 8.280 nan 0.000 0.532 539 S N 8.985 124.299 115.700 -0.643 0.000 2.673 539 S HA 0.360 4.829 4.470 -0.002 0.000 0.256 539 S C -3.096 171.112 174.600 -0.652 0.000 1.141 539 S CA -1.454 56.386 58.200 -0.599 0.000 1.109 539 S CB 0.833 63.877 63.200 -0.260 0.000 1.101 539 S HN 0.565 nan 8.310 nan 0.000 0.471 540 P HA 0.219 nan 4.420 nan 0.000 0.270 540 P C -0.049 177.117 177.300 -0.224 0.000 1.242 540 P CA 0.311 63.045 63.100 -0.610 0.000 0.768 540 P CB 0.191 31.497 31.700 -0.657 0.000 0.820 541 N N 1.656 120.313 118.700 -0.071 0.000 2.758 541 N HA -0.137 4.602 4.740 -0.002 0.000 0.248 541 N C 0.045 175.512 175.510 -0.073 0.000 1.076 541 N CA 1.209 54.237 53.050 -0.036 0.000 0.696 541 N CB -1.365 37.109 38.487 -0.022 0.000 0.979 541 N HN 0.646 nan 8.380 nan 0.000 0.550 542 G N -0.474 108.262 108.800 -0.106 0.000 2.451 542 G HA2 0.498 4.457 3.960 -0.002 0.000 0.303 542 G HA3 0.498 4.457 3.960 -0.002 0.000 0.303 542 G C -0.301 174.546 174.900 -0.089 0.000 1.166 542 G CA 0.225 45.264 45.100 -0.102 0.000 0.884 542 G HN 0.531 nan 8.290 nan 0.000 0.514 543 Q N -0.965 118.777 119.800 -0.096 0.000 2.407 543 Q HA -0.130 4.209 4.340 -0.002 0.000 0.323 543 Q C 0.607 176.511 176.000 -0.160 0.000 1.421 543 Q CA 0.248 55.906 55.803 -0.242 0.000 0.799 543 Q CB -0.978 27.614 28.738 -0.242 0.000 1.073 543 Q HN 0.545 nan 8.270 nan 0.000 0.345 544 Q N 0.687 120.485 119.800 -0.003 0.000 2.247 544 Q HA 0.221 4.560 4.340 -0.002 0.000 0.205 544 Q C -0.462 175.632 176.000 0.156 0.000 0.896 544 Q CA 0.673 56.519 55.803 0.071 0.000 0.950 544 Q CB 0.233 29.035 28.738 0.106 0.000 1.054 544 Q HN 0.655 nan 8.270 nan 0.000 0.482 545 Y N -4.856 115.442 120.300 -0.003 0.000 2.670 545 Y HA 0.591 5.141 4.550 -0.001 0.000 0.334 545 Y C -0.625 175.279 175.900 0.007 0.000 1.185 545 Y CA -1.392 56.707 58.100 -0.001 0.000 1.053 545 Y CB 0.612 39.071 38.460 -0.002 0.000 1.298 545 Y HN -0.309 nan 8.280 nan 0.000 0.459 546 T N 4.101 118.703 114.554 0.080 0.000 2.743 546 T HA 0.451 4.800 4.350 -0.002 0.000 0.293 546 T C -2.647 172.131 174.700 0.130 0.000 0.945 546 T CA -1.342 60.754 62.100 -0.006 0.000 1.030 546 T CB 0.522 69.403 68.868 0.022 0.000 0.912 546 T HN 0.395 nan 8.240 nan 0.000 0.483 547 P HA 0.037 nan 4.420 nan 0.000 0.266 547 P C 0.779 178.185 177.300 0.178 0.000 1.195 547 P CA -0.153 63.069 63.100 0.203 0.000 0.768 547 P CB 0.554 32.362 31.700 0.180 0.000 0.838 548 Q N 2.399 122.311 119.800 0.185 0.000 2.226 548 Q HA -0.212 4.127 4.340 -0.002 0.000 0.204 548 Q C 0.612 176.682 176.000 0.117 0.000 0.975 548 Q CA 1.849 57.721 55.803 0.114 0.000 0.866 548 Q CB -0.294 28.489 28.738 0.075 0.000 0.915 548 Q HN 0.382 nan 8.270 nan 0.000 0.440 549 D N 0.083 120.585 120.400 0.170 0.000 2.269 549 D HA -0.080 4.559 4.640 -0.002 0.000 0.208 549 D C 1.647 178.078 176.300 0.219 0.000 0.963 549 D CA 0.099 54.227 54.000 0.214 0.000 0.864 549 D CB 0.012 40.999 40.800 0.312 0.000 0.936 549 D HN 0.069 nan 8.370 nan 0.000 0.505 550 R N 1.239 121.819 120.500 0.134 0.000 2.259 550 R HA -0.249 4.090 4.340 -0.002 0.000 0.247 550 R C 1.870 178.102 176.300 -0.114 0.000 1.114 550 R CA 1.499 57.568 56.100 -0.051 0.000 0.926 550 R CB -0.989 29.270 30.300 -0.070 0.000 0.937 550 R HN 0.359 nan 8.270 nan 0.000 0.434 551 E N 0.178 120.369 120.200 -0.015 0.000 2.045 551 E HA -0.196 4.153 4.350 -0.002 0.000 0.212 551 E C 0.125 176.760 176.600 0.059 0.000 1.039 551 E CA 1.375 57.775 56.400 0.000 0.000 0.860 551 E CB -0.003 29.714 29.700 0.028 0.000 0.776 551 E HN 0.333 nan 8.360 nan 0.000 0.467 552 Q N -0.440 119.446 119.800 0.143 0.000 2.235 552 Q HA 0.133 4.472 4.340 -0.002 0.000 0.256 552 Q C 1.633 177.831 176.000 0.331 0.000 0.951 552 Q CA 0.162 56.080 55.803 0.192 0.000 0.890 552 Q CB 2.014 30.824 28.738 0.119 0.000 1.279 552 Q HN 0.134 nan 8.270 nan 0.000 0.444 553 V N 0.827 120.898 119.914 0.262 0.000 2.477 553 V HA -0.403 3.716 4.120 -0.002 0.000 0.216 553 V C 1.070 177.067 176.094 -0.162 0.000 0.995 553 V CA 2.499 64.882 62.300 0.139 0.000 1.088 553 V CB -1.949 29.898 31.823 0.041 0.000 0.980 553 V HN 0.885 nan 8.190 nan 0.000 0.487 554 A N 1.456 124.209 122.820 -0.112 0.000 3.202 554 A HA 0.563 4.882 4.320 -0.002 0.000 0.258 554 A C 0.173 177.704 177.584 -0.088 0.000 1.572 554 A CA -0.433 51.472 52.037 -0.221 0.000 1.241 554 A CB -1.218 17.711 19.000 -0.119 0.000 1.127 554 A HN 0.792 nan 8.150 nan 0.000 0.648 555 Y N -2.965 117.420 120.300 0.142 0.000 2.330 555 Y HA 0.333 4.882 4.550 -0.001 0.000 0.341 555 Y C 0.279 176.360 175.900 0.303 0.000 1.278 555 Y CA -1.527 56.690 58.100 0.195 0.000 1.453 555 Y CB 0.085 38.623 38.460 0.131 0.000 1.342 555 Y HN 0.327 nan 8.280 nan 0.000 0.590 556 Y N 2.563 123.063 120.300 0.334 0.000 2.568 556 Y HA 0.142 4.690 4.550 -0.003 0.000 0.338 556 Y C 0.359 176.358 175.900 0.165 0.000 1.245 556 Y CA -0.636 57.605 58.100 0.235 0.000 1.667 556 Y CB -0.285 38.273 38.460 0.163 0.000 1.568 556 Y HN 0.449 nan 8.280 nan 0.000 0.471 557 K N 5.300 125.761 120.400 0.101 0.000 2.310 557 K HA 0.139 4.457 4.320 -0.002 0.000 0.290 557 K C -0.918 175.619 176.600 -0.104 0.000 1.077 557 K CA 0.032 56.366 56.287 0.078 0.000 0.922 557 K CB 0.253 32.853 32.500 0.167 0.000 1.057 557 K HN 0.685 nan 8.250 nan 0.000 0.479 558 E N 3.386 123.529 120.200 -0.095 0.000 2.158 558 E HA 0.207 4.556 4.350 -0.002 0.000 0.271 558 E C -1.125 175.425 176.600 -0.083 0.000 0.911 558 E CA -0.787 55.539 56.400 -0.124 0.000 0.767 558 E CB 1.616 31.255 29.700 -0.101 0.000 1.120 558 E HN 0.468 nan 8.360 nan 0.000 0.405 559 D N 1.166 121.526 120.400 -0.066 0.000 2.756 559 D HA 0.015 4.654 4.640 -0.002 0.000 0.226 559 D C 0.441 176.715 176.300 -0.044 0.000 1.186 559 D CA -0.541 53.436 54.000 -0.038 0.000 0.845 559 D CB 1.450 42.255 40.800 0.008 0.000 1.610 559 D HN 0.499 nan 8.370 nan 0.000 0.465 560 E N 1.557 121.742 120.200 -0.025 0.000 2.265 560 E HA -0.180 4.168 4.350 -0.002 0.000 0.196 560 E C 0.874 177.590 176.600 0.193 0.000 0.996 560 E CA 1.204 57.615 56.400 0.019 0.000 0.832 560 E CB 0.137 29.942 29.700 0.174 0.000 0.756 560 E HN 0.170 nan 8.360 nan 0.000 0.491 561 K N 0.630 121.113 120.400 0.137 0.000 2.397 561 K HA 0.213 4.531 4.320 -0.002 0.000 0.202 561 K C 0.214 176.886 176.600 0.120 0.000 1.022 561 K CA 0.202 56.560 56.287 0.119 0.000 1.141 561 K CB 0.585 33.116 32.500 0.052 0.000 0.857 561 K HN 0.235 nan 8.250 nan 0.000 0.514 562 G N 0.645 109.554 108.800 0.182 0.000 2.432 562 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.239 562 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.239 562 G C 0.191 175.252 174.900 0.268 0.000 1.291 562 G CA -0.226 44.985 45.100 0.185 0.000 0.863 562 G HN 0.393 nan 8.290 nan 0.000 0.560 563 Q N 1.572 121.497 119.800 0.209 0.000 2.204 563 Q HA 0.068 4.407 4.340 -0.002 0.000 0.198 563 Q C 1.504 177.708 176.000 0.340 0.000 0.946 563 Q CA 0.095 56.050 55.803 0.254 0.000 0.859 563 Q CB 0.039 28.872 28.738 0.158 0.000 0.946 563 Q HN 0.715 nan 8.270 nan 0.000 0.474 564 I N 0.310 121.036 120.570 0.260 0.000 2.519 564 I HA 0.220 4.389 4.170 -0.002 0.000 0.287 564 I C -1.056 175.183 176.117 0.203 0.000 1.047 564 I CA -0.598 60.842 61.300 0.234 0.000 1.381 564 I CB 0.800 38.944 38.000 0.240 0.000 1.417 564 I HN 0.007 nan 8.210 nan 0.000 0.540 565 L N 6.531 127.838 121.223 0.139 0.000 2.257 565 L HA 0.337 4.675 4.340 -0.002 0.000 0.290 565 L C -0.426 176.512 176.870 0.114 0.000 1.044 565 L CA -0.468 54.428 54.840 0.094 0.000 0.810 565 L CB 1.146 43.194 42.059 -0.018 0.000 1.193 565 L HN 0.663 nan 8.230 nan 0.000 0.425 566 Q N 3.107 122.966 119.800 0.098 0.000 2.431 566 Q HA 0.154 4.493 4.340 -0.002 0.000 0.249 566 Q C -0.083 175.968 176.000 0.085 0.000 1.025 566 Q CA -0.098 55.755 55.803 0.084 0.000 0.835 566 Q CB 1.049 29.784 28.738 -0.005 0.000 1.207 566 Q HN 0.406 nan 8.270 nan 0.000 0.490 567 E N 3.281 123.529 120.200 0.080 0.000 2.444 567 E HA 0.212 4.561 4.350 -0.002 0.000 0.191 567 E C 0.667 177.302 176.600 0.058 0.000 1.041 567 E CA 0.440 56.883 56.400 0.071 0.000 0.883 567 E CB 0.098 29.804 29.700 0.009 0.000 1.024 567 E HN 0.934 nan 8.360 nan 0.000 0.470 568 G N 2.185 111.026 108.800 0.068 0.000 2.633 568 G HA2 -0.319 3.639 3.960 -0.002 0.000 0.263 568 G HA3 -0.319 3.639 3.960 -0.002 0.000 0.263 568 G C 0.203 175.116 174.900 0.022 0.000 1.310 568 G CA -0.223 44.907 45.100 0.051 0.000 0.914 568 G HN 0.307 nan 8.290 nan 0.000 0.569 569 I N 1.955 122.522 120.570 -0.006 0.000 2.472 569 I HA 0.218 4.387 4.170 -0.002 0.000 0.305 569 I C 0.594 176.677 176.117 -0.056 0.000 1.196 569 I CA 0.393 61.665 61.300 -0.047 0.000 1.613 569 I CB -0.471 37.492 38.000 -0.062 0.000 1.501 569 I HN 0.453 nan 8.210 nan 0.000 0.754 570 N N 4.127 122.793 118.700 -0.057 0.000 3.153 570 N HA 0.074 4.813 4.740 -0.002 0.000 0.208 570 N C 0.314 175.755 175.510 -0.114 0.000 1.462 570 N CA -0.170 52.835 53.050 -0.075 0.000 0.754 570 N CB 0.694 39.159 38.487 -0.036 0.000 1.558 570 N HN 0.230 nan 8.380 nan 0.000 0.605 571 E N 0.605 120.742 120.200 -0.106 0.000 2.110 571 E HA -0.060 4.289 4.350 -0.002 0.000 0.193 571 E C 1.491 177.975 176.600 -0.192 0.000 0.988 571 E CA 0.831 57.172 56.400 -0.098 0.000 0.804 571 E CB 0.158 29.808 29.700 -0.084 0.000 0.745 571 E HN 0.483 nan 8.360 nan 0.000 0.458 572 L N 0.080 121.193 121.223 -0.184 0.000 2.056 572 L HA 0.001 4.340 4.340 -0.002 0.000 0.207 572 L C 2.096 178.749 176.870 -0.362 0.000 1.078 572 L CA 2.156 56.871 54.840 -0.207 0.000 0.749 572 L CB -1.005 40.976 42.059 -0.130 0.000 0.901 572 L HN 0.202 nan 8.230 nan 0.000 0.433 573 G N -1.477 107.054 108.800 -0.448 0.000 2.422 573 G HA2 -0.175 3.783 3.960 -0.002 0.000 0.218 573 G HA3 -0.175 3.783 3.960 -0.002 0.000 0.218 573 G C 1.571 175.889 174.900 -0.970 0.000 1.140 573 G CA 0.696 45.184 45.100 -1.021 0.000 0.775 573 G HN 0.587 nan 8.290 nan 0.000 0.545 574 A N 0.801 123.268 122.820 -0.588 0.000 1.929 574 A HA 0.241 4.560 4.320 -0.002 0.000 0.216 574 A C 2.654 179.803 177.584 -0.726 0.000 1.176 574 A CA 1.859 53.489 52.037 -0.679 0.000 0.628 574 A CB -0.829 17.643 19.000 -0.880 0.000 0.816 574 A HN 0.449 nan 8.150 nan 0.000 0.444 575 G N -1.154 107.314 108.800 -0.553 0.000 2.422 575 G HA2 -0.194 3.764 3.960 -0.002 0.000 0.218 575 G HA3 -0.194 3.764 3.960 -0.002 0.000 0.218 575 G C 1.489 176.314 174.900 -0.124 0.000 1.140 575 G CA 1.253 46.177 45.100 -0.293 0.000 0.775 575 G HN 0.503 nan 8.290 nan 0.000 0.545 576 C N 0.384 119.526 119.300 -0.264 0.000 2.450 576 C HA 0.086 4.545 4.460 -0.002 0.000 0.279 576 C C 3.331 178.264 174.990 -0.095 0.000 1.335 576 C CA 1.084 60.005 59.018 -0.161 0.000 1.749 576 C CB -0.637 26.949 27.740 -0.257 0.000 1.963 576 C HN 0.394 nan 8.230 nan 0.000 0.501 577 S N -0.787 114.806 115.700 -0.179 0.000 2.371 577 S HA -0.173 4.296 4.470 -0.002 0.000 0.224 577 S C 1.421 175.937 174.600 -0.139 0.000 1.029 577 S CA 1.081 59.238 58.200 -0.071 0.000 0.978 577 S CB -0.345 62.828 63.200 -0.046 0.000 0.833 577 S HN 0.840 nan 8.310 nan 0.000 0.466 578 W N 1.969 123.100 121.300 -0.282 0.000 2.358 578 W HA -0.083 4.575 4.660 -0.003 0.000 0.303 578 W C 1.776 178.173 176.519 -0.203 0.000 1.208 578 W CA 0.831 58.052 57.345 -0.208 0.000 1.274 578 W CB -0.391 28.985 29.460 -0.140 0.000 1.138 578 W HN 0.246 nan 8.180 nan 0.000 0.515 579 L N 1.538 122.799 121.223 0.063 0.000 2.056 579 L HA 0.003 4.341 4.340 -0.002 0.000 0.207 579 L C 2.440 179.182 176.870 -0.213 0.000 1.078 579 L CA 2.637 57.438 54.840 -0.065 0.000 0.749 579 L CB -1.444 40.685 42.059 0.116 0.000 0.901 579 L HN 0.062 nan 8.230 nan 0.000 0.433 580 A N -0.576 122.095 122.820 -0.248 0.000 1.902 580 A HA -0.073 4.246 4.320 -0.002 0.000 0.217 580 A C 2.433 179.572 177.584 -0.742 0.000 1.181 580 A CA 1.751 53.581 52.037 -0.344 0.000 0.623 580 A CB -1.084 17.741 19.000 -0.292 0.000 0.818 580 A HN 0.552 nan 8.150 nan 0.000 0.443 581 A N -0.180 121.990 122.820 -1.084 0.000 1.898 581 A HA 0.235 4.554 4.320 -0.002 0.000 0.216 581 A C 2.419 179.744 177.584 -0.432 0.000 1.181 581 A CA 1.794 53.227 52.037 -1.007 0.000 0.620 581 A CB -0.961 17.611 19.000 -0.713 0.000 0.819 581 A HN 1.097 nan 8.150 nan 0.000 0.442 582 A N -0.541 121.963 122.820 -0.527 0.000 2.172 582 A HA 0.053 4.372 4.320 -0.002 0.000 0.216 582 A C 1.872 179.438 177.584 -0.029 0.000 1.154 582 A CA 2.006 53.800 52.037 -0.405 0.000 0.701 582 A CB -0.769 17.620 19.000 -1.018 0.000 0.789 582 A HN 0.806 nan 8.150 nan 0.000 0.465 583 T N -4.920 109.567 114.554 -0.113 0.000 3.145 583 T HA 0.204 4.553 4.350 -0.002 0.000 0.281 583 T C 1.376 175.926 174.700 -0.249 0.000 1.003 583 T CA 0.681 62.662 62.100 -0.198 0.000 0.901 583 T CB 0.087 68.876 68.868 -0.132 0.000 1.112 583 T HN 0.178 nan 8.240 nan 0.000 0.535 584 S N 1.536 117.203 115.700 -0.055 0.000 2.399 584 S HA -0.146 4.323 4.470 -0.002 0.000 0.231 584 S C 1.921 176.558 174.600 0.062 0.000 1.022 584 S CA 1.350 59.593 58.200 0.071 0.000 0.983 584 S CB -0.670 62.672 63.200 0.236 0.000 0.803 584 S HN 0.802 nan 8.310 nan 0.000 0.480 585 Y N 1.250 121.636 120.300 0.144 0.000 2.207 585 Y HA -0.011 4.538 4.550 -0.003 0.000 0.287 585 Y C 2.553 178.586 175.900 0.222 0.000 1.156 585 Y CA 1.602 59.819 58.100 0.195 0.000 1.182 585 Y CB -1.166 37.498 38.460 0.340 0.000 0.979 585 Y HN 0.336 nan 8.280 nan 0.000 0.521 586 S N -0.417 114.912 115.700 -0.619 0.000 2.398 586 S HA -0.090 4.379 4.470 -0.002 0.000 0.220 586 S C 1.895 176.408 174.600 -0.145 0.000 1.046 586 S CA 1.067 59.058 58.200 -0.348 0.000 0.953 586 S CB -0.983 61.859 63.200 -0.598 0.000 0.856 586 S HN 0.563 nan 8.310 nan 0.000 0.506 587 T N 2.480 116.941 114.554 -0.155 0.000 2.699 587 T HA -0.011 4.338 4.350 -0.002 0.000 0.268 587 T C 1.277 176.007 174.700 0.050 0.000 1.036 587 T CA 1.456 63.548 62.100 -0.013 0.000 1.147 587 T CB -0.300 68.620 68.868 0.086 0.000 0.862 587 T HN 0.435 nan 8.240 nan 0.000 0.446 588 N N 0.333 119.073 118.700 0.066 0.000 2.194 588 N HA 0.092 4.830 4.740 -0.002 0.000 0.231 588 N C -0.086 175.479 175.510 0.091 0.000 1.247 588 N CA -0.017 53.084 53.050 0.084 0.000 0.884 588 N CB 0.411 38.961 38.487 0.106 0.000 1.146 588 N HN 0.169 nan 8.380 nan 0.000 0.516 589 N N 1.080 119.847 118.700 0.111 0.000 2.716 589 N HA -0.224 4.514 4.740 -0.002 0.000 0.250 589 N C -1.210 174.391 175.510 0.151 0.000 1.033 589 N CA 0.409 53.563 53.050 0.173 0.000 0.727 589 N CB -1.174 37.400 38.487 0.145 0.000 0.950 589 N HN 0.321 nan 8.380 nan 0.000 0.541 590 L N 0.399 121.697 121.223 0.125 0.000 2.492 590 L HA 0.561 4.900 4.340 -0.002 0.000 0.258 590 L C -2.418 174.478 176.870 0.043 0.000 1.028 590 L CA -1.612 53.266 54.840 0.064 0.000 0.900 590 L CB 1.472 43.570 42.059 0.065 0.000 1.191 590 L HN -0.067 nan 8.230 nan 0.000 0.459 591 P HA 0.158 nan 4.420 nan 0.000 0.267 591 P C -1.072 176.127 177.300 -0.167 0.000 1.209 591 P CA 0.148 63.145 63.100 -0.171 0.000 0.763 591 P CB 0.780 32.049 31.700 -0.717 0.000 0.816 592 M N 4.136 123.675 119.600 -0.102 0.000 2.395 592 M HA 0.433 4.911 4.480 -0.002 0.000 0.307 592 M C -0.114 176.041 176.300 -0.240 0.000 1.091 592 M CA -0.750 54.509 55.300 -0.068 0.000 0.919 592 M CB 1.936 34.654 32.600 0.197 0.000 1.662 592 M HN 0.205 nan 8.290 nan 0.000 0.440 593 I N 5.112 125.554 120.570 -0.214 0.000 2.371 593 I HA 0.325 4.494 4.170 -0.002 0.000 0.282 593 I C -2.176 173.939 176.117 -0.002 0.000 1.031 593 I CA -1.604 59.567 61.300 -0.215 0.000 1.180 593 I CB 1.373 39.253 38.000 -0.200 0.000 1.336 593 I HN 0.265 nan 8.210 nan 0.000 0.467 594 P HA 0.305 nan 4.420 nan 0.000 0.284 594 P C -1.021 176.359 177.300 0.135 0.000 1.253 594 P CA -0.280 62.846 63.100 0.043 0.000 0.800 594 P CB 0.807 32.357 31.700 -0.250 0.000 0.961 595 F N 2.790 123.038 119.950 0.496 0.000 2.610 595 F HA 0.240 4.766 4.527 -0.002 0.000 0.355 595 F C -0.251 175.876 175.800 0.545 0.000 1.140 595 F CA -0.724 57.605 58.000 0.548 0.000 1.037 595 F CB 1.127 40.396 39.000 0.448 0.000 1.287 595 F HN 0.241 nan 8.300 nan 0.000 0.457 596 Y N 5.881 126.470 120.300 0.482 0.000 2.434 596 Y HA 0.579 5.127 4.550 -0.003 0.000 0.341 596 Y C -1.026 174.997 175.900 0.205 0.000 0.965 596 Y CA -2.079 56.206 58.100 0.307 0.000 1.205 596 Y CB 0.630 39.170 38.460 0.133 0.000 1.121 596 Y HN 0.532 nan 8.280 nan 0.000 0.507 597 I N 9.247 129.881 120.570 0.107 0.000 2.377 597 I HA 0.500 4.669 4.170 -0.002 0.000 0.293 597 I C -1.710 174.247 176.117 -0.267 0.000 0.987 597 I CA -0.694 60.357 61.300 -0.415 0.000 1.185 597 I CB 0.860 38.497 38.000 -0.605 0.000 1.341 597 I HN 0.672 nan 8.210 nan 0.000 0.455 598 Y N 4.502 124.612 120.300 -0.318 0.000 2.750 598 Y HA 0.424 4.973 4.550 -0.002 0.000 0.335 598 Y C -1.813 174.302 175.900 0.357 0.000 1.252 598 Y CA -1.472 56.680 58.100 0.088 0.000 1.064 598 Y CB 0.163 38.479 38.460 -0.240 0.000 1.321 598 Y HN 0.288 nan 8.280 nan 0.000 0.451 599 Y N 2.257 122.853 120.300 0.493 0.000 2.713 599 Y HA 0.115 4.664 4.550 -0.003 0.000 0.341 599 Y C 1.894 177.925 175.900 0.217 0.000 1.167 599 Y CA -0.036 58.258 58.100 0.323 0.000 1.503 599 Y CB 0.271 38.964 38.460 0.388 0.000 1.199 599 Y HN 0.876 nan 8.280 nan 0.000 0.525 600 S N 2.070 117.856 115.700 0.143 0.000 2.413 600 S HA -0.390 4.079 4.470 -0.002 0.000 0.237 600 S C 1.945 176.630 174.600 0.141 0.000 1.044 600 S CA 1.651 59.934 58.200 0.138 0.000 1.024 600 S CB -0.388 62.861 63.200 0.082 0.000 0.829 600 S HN 0.742 nan 8.310 nan 0.000 0.475 601 M N 0.887 120.440 119.600 -0.079 0.000 2.213 601 M HA 0.146 4.625 4.480 -0.002 0.000 0.263 601 M C 0.424 176.552 176.300 -0.287 0.000 1.062 601 M CA 1.380 56.492 55.300 -0.314 0.000 1.105 601 M CB -0.562 31.663 32.600 -0.624 0.000 1.385 601 M HN 0.318 nan 8.290 nan 0.000 0.417 602 F N -0.297 119.758 119.950 0.175 0.000 2.713 602 F HA 0.426 4.952 4.527 -0.002 0.000 0.294 602 F C 1.473 177.220 175.800 -0.088 0.000 1.152 602 F CA -0.268 57.769 58.000 0.063 0.000 1.385 602 F CB -1.344 37.690 39.000 0.055 0.000 0.981 602 F HN 0.121 nan 8.300 nan 0.000 0.514 603 G N -0.273 108.554 108.800 0.046 0.000 3.226 603 G HA2 0.043 4.002 3.960 -0.002 0.000 0.190 603 G HA3 0.043 4.002 3.960 -0.002 0.000 0.190 603 G C 1.105 175.830 174.900 -0.292 0.000 1.988 603 G CA -0.139 44.767 45.100 -0.324 0.000 0.859 603 G HN 0.110 nan 8.290 nan 0.000 0.631 604 F N 0.980 120.844 119.950 -0.145 0.000 2.147 604 F HA -0.157 4.369 4.527 -0.002 0.000 0.301 604 F C 2.924 178.706 175.800 -0.030 0.000 1.084 604 F CA 1.936 59.874 58.000 -0.103 0.000 1.268 604 F CB -0.327 38.593 39.000 -0.134 0.000 1.009 604 F HN 0.326 nan 8.300 nan 0.000 0.486 605 Q N 0.208 120.114 119.800 0.176 0.000 2.124 605 Q HA -0.236 4.103 4.340 -0.002 0.000 0.202 605 Q C 2.249 178.316 176.000 0.112 0.000 0.977 605 Q CA 1.622 57.516 55.803 0.152 0.000 0.850 605 Q CB -0.005 28.837 28.738 0.173 0.000 0.901 605 Q HN 0.209 nan 8.270 nan 0.000 0.429 606 R N 0.358 120.912 120.500 0.089 0.000 2.175 606 R HA 0.122 4.461 4.340 -0.002 0.000 0.202 606 R C 1.273 177.571 176.300 -0.003 0.000 1.018 606 R CA 1.084 57.225 56.100 0.068 0.000 1.029 606 R CB 0.251 30.624 30.300 0.122 0.000 0.959 606 R HN 0.470 nan 8.270 nan 0.000 0.480 607 I N -3.360 117.174 120.570 -0.060 0.000 3.658 607 I HA 0.536 4.705 4.170 -0.002 0.000 0.328 607 I C 1.047 177.133 176.117 -0.053 0.000 1.567 607 I CA -0.263 60.986 61.300 -0.085 0.000 1.078 607 I CB 0.942 38.843 38.000 -0.166 0.000 1.267 607 I HN 0.026 nan 8.210 nan 0.000 0.495 608 G N 1.252 110.066 108.800 0.023 0.000 2.469 608 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.220 608 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.220 608 G C 1.136 176.128 174.900 0.152 0.000 1.136 608 G CA 1.487 46.664 45.100 0.128 0.000 0.759 608 G HN 0.457 nan 8.290 nan 0.000 0.562 609 D N -0.324 120.133 120.400 0.095 0.000 2.144 609 D HA -0.065 4.574 4.640 -0.002 0.000 0.200 609 D C 2.350 178.756 176.300 0.176 0.000 0.978 609 D CA 0.424 54.497 54.000 0.121 0.000 0.833 609 D CB -0.181 40.658 40.800 0.066 0.000 0.961 609 D HN 0.213 nan 8.370 nan 0.000 0.470 610 L N -0.181 121.105 121.223 0.106 0.000 2.156 610 L HA -0.057 4.282 4.340 -0.002 0.000 0.208 610 L C 2.057 179.007 176.870 0.133 0.000 1.095 610 L CA 1.350 56.251 54.840 0.102 0.000 0.770 610 L CB -0.431 41.639 42.059 0.018 0.000 0.914 610 L HN 0.111 nan 8.230 nan 0.000 0.439 611 C N -1.183 118.187 119.300 0.118 0.000 2.435 611 C HA -0.165 4.293 4.460 -0.002 0.000 0.279 611 C C 2.481 177.700 174.990 0.383 0.000 1.321 611 C CA 0.599 59.721 59.018 0.173 0.000 1.752 611 C CB -1.412 26.420 27.740 0.152 0.000 1.959 611 C HN 0.817 nan 8.230 nan 0.000 0.500 612 W N 1.398 122.807 121.300 0.181 0.000 2.453 612 W HA -0.003 4.655 4.660 -0.002 0.000 0.289 612 W C 2.303 178.928 176.519 0.176 0.000 1.215 612 W CA 1.283 58.734 57.345 0.177 0.000 1.297 612 W CB -0.354 29.178 29.460 0.121 0.000 1.113 612 W HN 0.315 nan 8.180 nan 0.000 0.551 613 A N 0.945 123.967 122.820 0.335 0.000 1.969 613 A HA -0.036 4.282 4.320 -0.002 0.000 0.218 613 A C 2.132 179.828 177.584 0.187 0.000 1.169 613 A CA 2.161 54.343 52.037 0.242 0.000 0.635 613 A CB -1.170 17.979 19.000 0.248 0.000 0.810 613 A HN 0.253 nan 8.150 nan 0.000 0.445 614 A N -0.281 122.662 122.820 0.205 0.000 1.908 614 A HA 0.067 4.385 4.320 -0.002 0.000 0.218 614 A C 2.399 180.129 177.584 0.242 0.000 1.181 614 A CA 1.998 54.158 52.037 0.205 0.000 0.627 614 A CB -1.381 17.723 19.000 0.173 0.000 0.818 614 A HN 0.721 nan 8.150 nan 0.000 0.445 615 G N -0.504 108.458 108.800 0.269 0.000 2.422 615 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.218 615 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.218 615 G C 1.349 176.263 174.900 0.022 0.000 1.146 615 G CA 1.355 46.560 45.100 0.175 0.000 0.769 615 G HN 0.508 nan 8.290 nan 0.000 0.547 616 D N 0.160 120.543 120.400 -0.029 0.000 2.117 616 D HA -0.109 4.530 4.640 -0.002 0.000 0.197 616 D C 2.329 178.681 176.300 0.086 0.000 0.987 616 D CA 0.908 54.912 54.000 0.006 0.000 0.829 616 D CB -0.286 40.556 40.800 0.069 0.000 0.961 616 D HN 0.407 nan 8.370 nan 0.000 0.460 617 Q N -0.580 119.290 119.800 0.116 0.000 2.515 617 Q HA -0.030 4.309 4.340 -0.002 0.000 0.212 617 Q C -0.198 175.866 176.000 0.106 0.000 0.970 617 Q CA 0.267 56.136 55.803 0.109 0.000 0.941 617 Q CB 0.143 28.963 28.738 0.136 0.000 0.998 617 Q HN 0.205 nan 8.270 nan 0.000 0.518 618 Q N -1.683 118.199 119.800 0.137 0.000 2.470 618 Q HA -0.201 4.138 4.340 -0.002 0.000 0.294 618 Q C -0.721 175.422 176.000 0.240 0.000 1.356 618 Q CA 0.839 56.749 55.803 0.178 0.000 0.805 618 Q CB -2.341 26.505 28.738 0.181 0.000 1.157 618 Q HN 0.457 nan 8.270 nan 0.000 0.431 619 A N 1.214 124.159 122.820 0.208 0.000 2.462 619 A HA 0.423 4.741 4.320 -0.002 0.000 0.243 619 A C 0.445 178.121 177.584 0.153 0.000 1.076 619 A CA 0.097 52.194 52.037 0.100 0.000 0.773 619 A CB 0.444 19.380 19.000 -0.106 0.000 1.010 619 A HN 0.321 nan 8.150 nan 0.000 0.493 620 R N 1.832 122.372 120.500 0.065 0.000 2.352 620 R HA 0.536 4.875 4.340 -0.002 0.000 0.304 620 R C 0.147 176.455 176.300 0.014 0.000 1.104 620 R CA 0.118 56.221 56.100 0.005 0.000 0.991 620 R CB 1.645 31.751 30.300 -0.323 0.000 1.140 620 R HN 0.988 nan 8.270 nan 0.000 0.540 621 G N 1.478 110.287 108.800 0.016 0.000 2.619 621 G HA2 0.518 4.477 3.960 -0.002 0.000 0.305 621 G HA3 0.518 4.477 3.960 -0.002 0.000 0.305 621 G C -1.747 173.309 174.900 0.259 0.000 1.330 621 G CA -0.556 44.549 45.100 0.009 0.000 0.789 621 G HN 0.210 nan 8.290 nan 0.000 0.487 622 F N 0.137 120.335 119.950 0.414 0.000 2.467 622 F HA 0.613 5.139 4.527 -0.002 0.000 0.336 622 F C 0.116 176.188 175.800 0.454 0.000 1.123 622 F CA -0.612 57.622 58.000 0.389 0.000 0.964 622 F CB 2.242 41.237 39.000 -0.008 0.000 1.136 622 F HN 0.068 nan 8.300 nan 0.000 0.447 623 L N 5.363 126.866 121.223 0.466 0.000 2.276 623 L HA 0.465 4.804 4.340 -0.002 0.000 0.286 623 L C -0.886 176.118 176.870 0.223 0.000 1.024 623 L CA -0.655 54.290 54.840 0.174 0.000 0.826 623 L CB 1.045 43.117 42.059 0.022 0.000 1.211 623 L HN 0.413 nan 8.230 nan 0.000 0.422 624 I N 3.503 124.018 120.570 -0.093 0.000 2.307 624 I HA 0.224 4.393 4.170 -0.002 0.000 0.287 624 I C 0.966 176.656 176.117 -0.712 0.000 1.054 624 I CA -0.359 60.707 61.300 -0.389 0.000 1.218 624 I CB 0.967 38.531 38.000 -0.727 0.000 1.398 624 I HN 0.547 nan 8.210 nan 0.000 0.475 625 G N 5.597 114.101 108.800 -0.494 0.000 2.621 625 G HA2 0.433 4.391 3.960 -0.002 0.000 0.306 625 G HA3 0.433 4.391 3.960 -0.002 0.000 0.306 625 G C 0.600 175.274 174.900 -0.376 0.000 0.893 625 G CA -0.312 44.483 45.100 -0.508 0.000 1.486 625 G HN 0.728 nan 8.290 nan 0.000 0.477 626 G N 1.336 109.884 108.800 -0.419 0.000 2.616 626 G HA2 0.459 4.418 3.960 -0.002 0.000 0.268 626 G HA3 0.459 4.418 3.960 -0.002 0.000 0.268 626 G C 0.978 175.936 174.900 0.097 0.000 1.213 626 G CA 0.475 45.492 45.100 -0.139 0.000 0.926 626 G HN 1.632 nan 8.290 nan 0.000 0.523 627 T N -2.509 112.132 114.554 0.144 0.000 3.622 627 T HA -0.198 4.151 4.350 -0.002 0.000 0.380 627 T C 0.575 175.262 174.700 -0.022 0.000 0.764 627 T CA 0.871 62.990 62.100 0.031 0.000 1.908 627 T CB -2.568 66.237 68.868 -0.106 0.000 1.771 627 T HN 1.748 nan 8.240 nan 0.000 0.706 628 S N -0.282 115.411 115.700 -0.011 0.000 2.707 628 S HA 0.829 5.298 4.470 -0.002 0.000 0.276 628 S C 0.812 175.363 174.600 -0.082 0.000 1.179 628 S CA -0.155 58.032 58.200 -0.021 0.000 0.992 628 S CB 1.551 64.791 63.200 0.067 0.000 1.030 628 S HN 2.451 nan 8.310 nan 0.000 0.554 629 G N 0.317 108.975 108.800 -0.237 0.000 2.895 629 G HA2 -0.102 3.856 3.960 -0.002 0.000 0.686 629 G HA3 -0.102 3.856 3.960 -0.002 0.000 0.686 629 G C -0.081 174.592 174.900 -0.378 0.000 1.108 629 G CA -0.040 44.806 45.100 -0.424 0.000 0.761 629 G HN 0.870 nan 8.290 nan 0.000 0.611 630 R N 0.387 120.590 120.500 -0.494 0.000 2.066 630 R HA -0.017 4.321 4.340 -0.002 0.000 0.232 630 R C 3.006 179.143 176.300 -0.272 0.000 1.131 630 R CA 3.046 58.892 56.100 -0.424 0.000 0.955 630 R CB -0.405 29.489 30.300 -0.677 0.000 0.851 630 R HN 1.070 nan 8.270 nan 0.000 0.432 631 T N -3.568 110.844 114.554 -0.235 0.000 3.067 631 T HA 0.051 4.400 4.350 -0.002 0.000 0.257 631 T C 1.501 176.182 174.700 -0.031 0.000 1.105 631 T CA 1.058 63.122 62.100 -0.061 0.000 1.104 631 T CB 0.003 68.857 68.868 -0.023 0.000 0.925 631 T HN 0.159 nan 8.240 nan 0.000 0.498 632 T N 2.000 116.518 114.554 -0.061 0.000 2.896 632 T HA 0.182 4.531 4.350 -0.002 0.000 0.263 632 T C 0.817 175.505 174.700 -0.020 0.000 1.050 632 T CA 0.284 62.376 62.100 -0.014 0.000 1.140 632 T CB -0.279 68.588 68.868 -0.000 0.000 0.877 632 T HN 0.243 nan 8.240 nan 0.000 0.457 633 L N 4.531 125.723 121.223 -0.052 0.000 2.796 633 L HA 0.283 4.621 4.340 -0.002 0.000 0.235 633 L C 1.481 178.324 176.870 -0.046 0.000 1.344 633 L CA -0.584 54.216 54.840 -0.066 0.000 1.245 633 L CB -0.914 41.088 42.059 -0.095 0.000 1.556 633 L HN 0.153 nan 8.230 nan 0.000 0.423 634 N N 0.004 118.693 118.700 -0.019 0.000 2.094 634 N HA -0.208 4.531 4.740 -0.002 0.000 0.191 634 N C 1.373 176.881 175.510 -0.003 0.000 1.023 634 N CA 1.633 54.686 53.050 0.006 0.000 0.857 634 N CB -0.467 38.034 38.487 0.023 0.000 1.013 634 N HN 0.485 nan 8.380 nan 0.000 0.426 635 G N 0.170 108.952 108.800 -0.030 0.000 2.712 635 G HA2 -0.071 3.888 3.960 -0.002 0.000 0.212 635 G HA3 -0.071 3.888 3.960 -0.002 0.000 0.212 635 G C 1.409 176.268 174.900 -0.067 0.000 1.142 635 G CA -0.042 45.035 45.100 -0.039 0.000 0.789 635 G HN 0.219 nan 8.290 nan 0.000 0.535 636 E N 0.551 120.687 120.200 -0.107 0.000 2.208 636 E HA 0.148 4.497 4.350 -0.002 0.000 0.193 636 E C 1.801 178.365 176.600 -0.060 0.000 0.988 636 E CA 0.743 57.025 56.400 -0.198 0.000 0.828 636 E CB -0.186 29.294 29.700 -0.366 0.000 0.763 636 E HN 0.429 nan 8.360 nan 0.000 0.478 637 G N 0.944 109.758 108.800 0.024 0.000 2.615 637 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.218 637 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.218 637 G C 0.517 175.509 174.900 0.153 0.000 1.339 637 G CA -0.136 45.016 45.100 0.087 0.000 0.884 637 G HN 0.196 nan 8.290 nan 0.000 0.559 638 L N 0.462 121.775 121.223 0.150 0.000 1.991 638 L HA -0.142 4.197 4.340 -0.002 0.000 0.221 638 L C 2.468 179.456 176.870 0.198 0.000 1.079 638 L CA 3.373 58.318 54.840 0.175 0.000 0.778 638 L CB -1.340 40.762 42.059 0.072 0.000 0.893 638 L HN 0.769 nan 8.230 nan 0.000 0.437 639 Q N -2.147 117.771 119.800 0.197 0.000 2.365 639 Q HA -0.041 4.298 4.340 -0.002 0.000 0.203 639 Q C 0.990 176.994 176.000 0.007 0.000 0.929 639 Q CA 0.272 56.165 55.803 0.150 0.000 0.948 639 Q CB 0.188 29.025 28.738 0.164 0.000 1.043 639 Q HN 0.679 nan 8.270 nan 0.000 0.505 640 H N -0.652 118.433 119.070 0.024 0.000 2.926 640 H HA 0.160 4.714 4.556 -0.002 0.000 0.249 640 H C -0.197 175.055 175.328 -0.128 0.000 0.963 640 H CA -0.137 55.862 56.048 -0.081 0.000 1.158 640 H CB 0.833 30.593 29.762 -0.003 0.000 1.445 640 H HN 0.060 nan 8.280 nan 0.000 0.452 641 E N 2.308 122.548 120.200 0.067 0.000 2.081 641 E HA 0.008 4.357 4.350 -0.002 0.000 0.270 641 E C -0.711 175.824 176.600 -0.108 0.000 1.180 641 E CA -0.206 56.176 56.400 -0.031 0.000 0.926 641 E CB 0.382 30.083 29.700 0.002 0.000 1.035 641 E HN 0.235 nan 8.360 nan 0.000 0.418 642 D N 2.615 122.891 120.400 -0.207 0.000 2.365 642 D HA 0.135 4.773 4.640 -0.002 0.000 0.237 642 D C 0.479 176.506 176.300 -0.455 0.000 1.190 642 D CA -0.350 53.442 54.000 -0.346 0.000 0.867 642 D CB 0.695 41.341 40.800 -0.257 0.000 1.050 642 D HN 0.470 nan 8.370 nan 0.000 0.491 643 G N 2.960 111.512 108.800 -0.414 0.000 3.774 643 G HA2 0.025 3.983 3.960 -0.002 0.000 0.287 643 G HA3 0.025 3.983 3.960 -0.002 0.000 0.287 643 G C 0.539 175.447 174.900 0.012 0.000 1.030 643 G CA -0.379 44.469 45.100 -0.420 0.000 0.824 643 G HN 0.710 nan 8.290 nan 0.000 0.518 644 H N -2.032 117.102 119.070 0.107 0.000 3.726 644 H HA 0.064 4.618 4.556 -0.002 0.000 0.262 644 H C 1.771 177.147 175.328 0.080 0.000 1.181 644 H CA 0.712 56.824 56.048 0.106 0.000 1.143 644 H CB -0.452 29.313 29.762 0.006 0.000 1.627 644 H HN 0.237 nan 8.280 nan 0.000 0.750 645 S N 1.006 116.664 115.700 -0.069 0.000 2.387 645 S HA -0.247 4.221 4.470 -0.002 0.000 0.230 645 S C 1.614 176.115 174.600 -0.165 0.000 1.035 645 S CA 1.360 59.543 58.200 -0.028 0.000 1.014 645 S CB -0.893 62.368 63.200 0.102 0.000 0.836 645 S HN 0.497 nan 8.310 nan 0.000 0.466 646 H N 0.787 119.720 119.070 -0.229 0.000 2.491 646 H HA 0.118 4.673 4.556 -0.002 0.000 0.290 646 H C 1.860 177.051 175.328 -0.228 0.000 1.050 646 H CA 1.291 57.116 56.048 -0.372 0.000 1.309 646 H CB -0.035 29.073 29.762 -1.089 0.000 1.392 646 H HN 0.407 nan 8.280 nan 0.000 0.554 647 I N 0.586 121.132 120.570 -0.041 0.000 2.406 647 I HA -0.159 4.009 4.170 -0.002 0.000 0.249 647 I C 2.069 178.151 176.117 -0.059 0.000 1.122 647 I CA 0.930 62.237 61.300 0.013 0.000 1.431 647 I CB -0.737 37.301 38.000 0.064 0.000 1.087 647 I HN 0.228 nan 8.210 nan 0.000 0.424 648 Q N 0.534 120.261 119.800 -0.121 0.000 2.137 648 Q HA -0.114 4.225 4.340 -0.002 0.000 0.198 648 Q C 2.384 178.123 176.000 -0.435 0.000 0.960 648 Q CA 1.864 57.561 55.803 -0.177 0.000 0.847 648 Q CB -0.114 28.581 28.738 -0.073 0.000 0.915 648 Q HN 0.558 nan 8.270 nan 0.000 0.448 649 S N 1.202 116.419 115.700 -0.806 0.000 2.402 649 S HA -0.133 4.336 4.470 -0.002 0.000 0.229 649 S C 1.976 176.335 174.600 -0.401 0.000 1.021 649 S CA 1.075 58.630 58.200 -1.075 0.000 0.974 649 S CB -0.504 61.960 63.200 -1.227 0.000 0.800 649 S HN 0.422 nan 8.310 nan 0.000 0.484 650 L N 1.924 123.028 121.223 -0.199 0.000 2.456 650 L HA 0.146 4.485 4.340 -0.002 0.000 0.224 650 L C 2.234 179.081 176.870 -0.038 0.000 1.148 650 L CA 1.509 56.304 54.840 -0.076 0.000 0.825 650 L CB -2.049 40.014 42.059 0.006 0.000 0.937 650 L HN 0.475 nan 8.230 nan 0.000 0.450 651 T N -2.458 112.079 114.554 -0.028 0.000 3.055 651 T HA 0.173 4.522 4.350 -0.002 0.000 0.265 651 T C 0.826 175.670 174.700 0.239 0.000 1.111 651 T CA 0.256 62.407 62.100 0.086 0.000 1.118 651 T CB -0.669 68.240 68.868 0.069 0.000 0.909 651 T HN 0.323 nan 8.240 nan 0.000 0.501 652 I N 2.739 123.382 120.570 0.122 0.000 2.297 652 I HA 0.266 4.435 4.170 -0.002 0.000 0.291 652 I C -1.553 174.507 176.117 -0.095 0.000 1.033 652 I CA -2.656 58.689 61.300 0.076 0.000 1.253 652 I CB 1.782 39.828 38.000 0.077 0.000 1.396 652 I HN -0.078 nan 8.210 nan 0.000 0.476 653 P HA -0.201 nan 4.420 nan 0.000 0.216 653 P C 0.496 177.690 177.300 -0.176 0.000 1.157 653 P CA 1.495 64.510 63.100 -0.141 0.000 0.880 653 P CB -0.047 31.558 31.700 -0.157 0.000 0.791 654 N N -1.879 116.687 118.700 -0.224 0.000 2.320 654 N HA 0.043 4.781 4.740 -0.002 0.000 0.237 654 N C -0.780 174.481 175.510 -0.415 0.000 1.129 654 N CA -0.378 52.533 53.050 -0.232 0.000 0.854 654 N CB -1.106 37.297 38.487 -0.141 0.000 1.083 654 N HN 0.080 nan 8.380 nan 0.000 0.504 655 C N 1.473 120.481 119.300 -0.487 0.000 2.303 655 C HA 0.600 5.059 4.460 -0.002 0.000 0.326 655 C C -0.589 174.179 174.990 -0.369 0.000 1.285 655 C CA -0.980 57.640 59.018 -0.663 0.000 1.675 655 C CB -0.547 26.844 27.740 -0.581 0.000 2.289 655 C HN 0.341 nan 8.230 nan 0.000 0.512 656 I N 6.346 126.690 120.570 -0.378 0.000 2.307 656 I HA 0.318 4.487 4.170 -0.002 0.000 0.289 656 I C 0.417 176.325 176.117 -0.348 0.000 1.021 656 I CA 0.292 61.314 61.300 -0.464 0.000 1.224 656 I CB 0.952 38.479 38.000 -0.788 0.000 1.376 656 I HN 0.688 nan 8.210 nan 0.000 0.470 657 S N 6.564 122.107 115.700 -0.261 0.000 2.525 657 S HA 0.741 5.210 4.470 -0.002 0.000 0.290 657 S C -0.905 173.572 174.600 -0.205 0.000 1.152 657 S CA -0.468 57.718 58.200 -0.022 0.000 1.072 657 S CB 1.395 64.725 63.200 0.217 0.000 1.027 657 S HN 0.376 nan 8.310 nan 0.000 0.500 658 Y N 0.392 120.783 120.300 0.151 0.000 2.524 658 Y HA 0.424 4.973 4.550 -0.002 0.000 0.347 658 Y C -0.381 175.581 175.900 0.104 0.000 1.005 658 Y CA -0.974 57.188 58.100 0.103 0.000 1.025 658 Y CB 1.810 40.319 38.460 0.083 0.000 1.275 658 Y HN 0.579 nan 8.280 nan 0.000 0.460 659 D N 3.566 124.079 120.400 0.188 0.000 2.613 659 D HA 0.284 4.923 4.640 -0.002 0.000 0.312 659 D C -2.857 173.508 176.300 0.109 0.000 1.202 659 D CA -2.211 51.851 54.000 0.104 0.000 0.825 659 D CB 0.729 41.505 40.800 -0.040 0.000 1.113 659 D HN 0.052 nan 8.370 nan 0.000 0.502 660 P HA 0.131 nan 4.420 nan 0.000 0.269 660 P C 0.072 177.356 177.300 -0.028 0.000 1.215 660 P CA -0.097 63.024 63.100 0.035 0.000 0.780 660 P CB 1.809 33.522 31.700 0.021 0.000 0.898 661 A N 1.756 124.478 122.820 -0.164 0.000 2.013 661 A HA 0.178 4.497 4.320 -0.002 0.000 0.204 661 A C 0.244 177.621 177.584 -0.346 0.000 1.262 661 A CA 0.851 52.689 52.037 -0.333 0.000 0.800 661 A CB -0.352 18.226 19.000 -0.702 0.000 0.909 661 A HN 0.521 nan 8.150 nan 0.000 0.472 662 Y N -2.110 118.138 120.300 -0.086 0.000 2.528 662 Y HA 0.614 5.163 4.550 -0.002 0.000 0.335 662 Y C 1.478 177.221 175.900 -0.261 0.000 1.093 662 Y CA -1.018 56.953 58.100 -0.215 0.000 1.134 662 Y CB 1.239 39.357 38.460 -0.570 0.000 1.253 662 Y HN 0.101 nan 8.280 nan 0.000 0.478 663 A N 1.364 124.202 122.820 0.029 0.000 1.908 663 A HA -0.256 4.062 4.320 -0.002 0.000 0.218 663 A C 1.802 179.404 177.584 0.030 0.000 1.181 663 A CA 2.284 54.335 52.037 0.024 0.000 0.627 663 A CB -1.390 17.643 19.000 0.055 0.000 0.818 663 A HN 0.915 nan 8.150 nan 0.000 0.445 664 Y N -0.389 119.970 120.300 0.099 0.000 2.352 664 Y HA 0.028 4.576 4.550 -0.003 0.000 0.292 664 Y C 1.750 177.672 175.900 0.036 0.000 1.136 664 Y CA 1.075 59.203 58.100 0.046 0.000 1.227 664 Y CB -0.804 37.669 38.460 0.022 0.000 0.991 664 Y HN 0.411 nan 8.280 nan 0.000 0.545 665 E N 0.715 120.833 120.200 -0.137 0.000 2.107 665 E HA -0.103 4.246 4.350 -0.002 0.000 0.191 665 E C 2.266 178.848 176.600 -0.030 0.000 0.982 665 E CA 1.335 57.724 56.400 -0.019 0.000 0.809 665 E CB -0.160 29.500 29.700 -0.067 0.000 0.756 665 E HN 0.391 nan 8.360 nan 0.000 0.459 666 V N 1.599 121.494 119.914 -0.033 0.000 2.343 666 V HA -0.296 3.823 4.120 -0.002 0.000 0.247 666 V C 2.360 178.419 176.094 -0.059 0.000 1.051 666 V CA 1.930 64.221 62.300 -0.015 0.000 1.036 666 V CB -0.760 31.079 31.823 0.027 0.000 0.654 666 V HN 0.317 nan 8.190 nan 0.000 0.451 667 A N -0.220 122.555 122.820 -0.074 0.000 1.877 667 A HA -0.158 4.160 4.320 -0.002 0.000 0.216 667 A C 2.398 179.798 177.584 -0.308 0.000 1.186 667 A CA 2.121 54.018 52.037 -0.233 0.000 0.620 667 A CB -0.724 18.222 19.000 -0.090 0.000 0.822 667 A HN 0.331 nan 8.150 nan 0.000 0.443 668 V N 0.117 119.960 119.914 -0.119 0.000 2.295 668 V HA -0.271 3.848 4.120 -0.002 0.000 0.246 668 V C 2.431 178.491 176.094 -0.057 0.000 1.049 668 V CA 2.071 64.334 62.300 -0.063 0.000 1.024 668 V CB -0.694 31.129 31.823 0.001 0.000 0.648 668 V HN 0.564 nan 8.190 nan 0.000 0.447 669 I N -0.826 119.679 120.570 -0.108 0.000 2.179 669 I HA -0.311 3.858 4.170 -0.002 0.000 0.242 669 I C 2.505 178.626 176.117 0.007 0.000 1.088 669 I CA 1.913 63.125 61.300 -0.146 0.000 1.357 669 I CB -0.266 37.533 38.000 -0.334 0.000 1.051 669 I HN 0.257 nan 8.210 nan 0.000 0.409 670 M N -0.760 118.832 119.600 -0.014 0.000 2.175 670 M HA -0.230 4.249 4.480 -0.002 0.000 0.264 670 M C 2.455 178.730 176.300 -0.041 0.000 1.063 670 M CA 1.518 56.828 55.300 0.015 0.000 1.119 670 M CB -0.676 31.842 32.600 -0.136 0.000 1.377 670 M HN 0.354 nan 8.290 nan 0.000 0.415 671 H N -0.195 118.693 119.070 -0.303 0.000 2.326 671 H HA -0.182 4.372 4.556 -0.002 0.000 0.301 671 H C 1.498 176.815 175.328 -0.019 0.000 1.081 671 H CA 2.066 57.984 56.048 -0.217 0.000 1.334 671 H CB -0.046 29.517 29.762 -0.331 0.000 1.385 671 H HN 0.304 nan 8.280 nan 0.000 0.504 672 D N -0.159 120.166 120.400 -0.125 0.000 2.144 672 D HA -0.082 4.557 4.640 -0.002 0.000 0.199 672 D C 2.417 178.639 176.300 -0.130 0.000 0.984 672 D CA 1.446 55.378 54.000 -0.113 0.000 0.834 672 D CB -0.705 40.126 40.800 0.052 0.000 0.955 672 D HN 0.538 nan 8.370 nan 0.000 0.465 673 G N 0.456 109.125 108.800 -0.218 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 1.827 176.646 174.900 -0.135 0.000 1.171 673 G CA 0.612 45.351 45.100 -0.602 0.000 0.775 673 G HN 0.347 nan 8.290 nan 0.000 0.543 674 L N 0.028 121.345 121.223 0.156 0.000 2.042 674 L HA -0.088 4.250 4.340 -0.002 0.000 0.210 674 L C 3.050 179.990 176.870 0.116 0.000 1.076 674 L CA 1.117 56.108 54.840 0.251 0.000 0.749 674 L CB -0.322 41.883 42.059 0.244 0.000 0.893 674 L HN 0.178 nan 8.230 nan 0.000 0.432 675 E N 0.351 120.524 120.200 -0.046 0.000 2.023 675 E HA -0.215 4.134 4.350 -0.002 0.000 0.196 675 E C 2.255 178.840 176.600 -0.026 0.000 1.003 675 E CA 1.382 57.746 56.400 -0.061 0.000 0.809 675 E CB -0.233 29.360 29.700 -0.178 0.000 0.755 675 E HN 0.446 nan 8.360 nan 0.000 0.449 676 R N -0.080 120.393 120.500 -0.045 0.000 2.083 676 R HA -0.068 4.271 4.340 -0.002 0.000 0.237 676 R C 2.581 178.826 176.300 -0.091 0.000 1.137 676 R CA 1.835 57.911 56.100 -0.040 0.000 0.951 676 R CB -0.306 30.004 30.300 0.015 0.000 0.851 676 R HN 0.201 nan 8.270 nan 0.000 0.434 677 M N -1.450 118.074 119.600 -0.127 0.000 2.193 677 M HA -0.079 4.400 4.480 -0.002 0.000 0.265 677 M C 0.964 176.946 176.300 -0.531 0.000 1.071 677 M CA 1.542 56.644 55.300 -0.329 0.000 1.140 677 M CB 0.193 32.594 32.600 -0.331 0.000 1.369 677 M HN 0.114 nan 8.290 nan 0.000 0.423 678 Y N -0.473 119.867 120.300 0.067 0.000 2.481 678 Y HA 0.371 4.920 4.550 -0.002 0.000 0.247 678 Y C 1.352 177.403 175.900 0.250 0.000 1.151 678 Y CA -0.638 57.587 58.100 0.208 0.000 1.238 678 Y CB -0.042 38.489 38.460 0.117 0.000 1.179 678 Y HN 0.050 nan 8.280 nan 0.000 0.524 679 G N -0.100 108.807 108.800 0.179 0.000 2.510 679 G HA2 0.064 4.023 3.960 -0.002 0.000 0.280 679 G HA3 0.064 4.023 3.960 -0.002 0.000 0.280 679 G C 0.768 175.693 174.900 0.043 0.000 1.386 679 G CA -0.124 45.051 45.100 0.125 0.000 1.047 679 G HN 0.273 nan 8.290 nan 0.000 0.527 680 E N -0.621 119.587 120.200 0.013 0.000 2.171 680 E HA -0.181 4.168 4.350 -0.002 0.000 0.197 680 E C 2.094 178.638 176.600 -0.093 0.000 0.997 680 E CA 1.566 57.940 56.400 -0.043 0.000 0.810 680 E CB -0.014 29.676 29.700 -0.017 0.000 0.738 680 E HN 0.445 nan 8.360 nan 0.000 0.467 681 K N 0.203 120.558 120.400 -0.075 0.000 2.148 681 K HA -0.138 4.181 4.320 -0.002 0.000 0.204 681 K C 0.097 176.613 176.600 -0.141 0.000 1.050 681 K CA 1.092 57.325 56.287 -0.090 0.000 0.942 681 K CB 0.084 32.547 32.500 -0.062 0.000 0.724 681 K HN 0.265 nan 8.250 nan 0.000 0.446 682 Q N 1.365 121.051 119.800 -0.190 0.000 2.437 682 Q HA -0.198 4.140 4.340 -0.002 0.000 0.354 682 Q C -0.787 175.076 176.000 -0.228 0.000 1.402 682 Q CA 0.609 56.240 55.803 -0.287 0.000 1.020 682 Q CB -1.453 27.055 28.738 -0.383 0.000 1.220 682 Q HN 0.388 nan 8.270 nan 0.000 0.368 683 E N 1.134 121.224 120.200 -0.183 0.000 2.290 683 E HA 0.069 4.418 4.350 -0.002 0.000 0.277 683 E C -0.091 176.428 176.600 -0.136 0.000 1.035 683 E CA -0.402 55.925 56.400 -0.122 0.000 0.873 683 E CB 0.586 30.245 29.700 -0.068 0.000 1.029 683 E HN 0.183 nan 8.360 nan 0.000 0.419 684 N N 4.079 122.728 118.700 -0.085 0.000 2.739 684 N HA 0.132 4.870 4.740 -0.002 0.000 0.266 684 N C -1.075 174.433 175.510 -0.003 0.000 1.168 684 N CA 0.121 53.147 53.050 -0.040 0.000 1.055 684 N CB 0.869 39.361 38.487 0.008 0.000 1.393 684 N HN 0.160 nan 8.380 nan 0.000 0.514 685 V N 2.257 122.180 119.914 0.014 0.000 3.216 685 V HA 0.541 4.660 4.120 -0.002 0.000 0.302 685 V C -1.714 174.484 176.094 0.173 0.000 1.286 685 V CA -0.852 61.471 62.300 0.038 0.000 1.048 685 V CB 2.260 34.085 31.823 0.003 0.000 1.081 685 V HN 0.478 nan 8.190 nan 0.000 0.442 686 Y N 1.954 122.336 120.300 0.137 0.000 2.605 686 Y HA 0.860 5.409 4.550 -0.002 0.000 0.343 686 Y C -1.689 174.374 175.900 0.273 0.000 1.036 686 Y CA -1.446 56.787 58.100 0.221 0.000 1.065 686 Y CB 1.280 39.968 38.460 0.380 0.000 1.288 686 Y HN 0.492 nan 8.280 nan 0.000 0.481 687 Y N 1.341 121.761 120.300 0.199 0.000 2.420 687 Y HA 0.485 5.034 4.550 -0.002 0.000 0.334 687 Y C -1.111 175.053 175.900 0.441 0.000 1.094 687 Y CA -1.431 56.776 58.100 0.177 0.000 1.126 687 Y CB 1.687 40.092 38.460 -0.091 0.000 1.217 687 Y HN 0.686 nan 8.280 nan 0.000 0.462 688 Y N 3.869 124.364 120.300 0.325 0.000 2.329 688 Y HA 0.660 5.208 4.550 -0.002 0.000 0.328 688 Y C -1.676 174.386 175.900 0.270 0.000 0.992 688 Y CA -1.868 56.406 58.100 0.291 0.000 1.151 688 Y CB 0.577 39.197 38.460 0.266 0.000 1.150 688 Y HN 0.488 nan 8.280 nan 0.000 0.450 689 I N 5.868 126.379 120.570 -0.099 0.000 2.436 689 I HA 0.364 4.533 4.170 -0.002 0.000 0.289 689 I C -0.398 175.457 176.117 -0.436 0.000 1.010 689 I CA -0.891 60.322 61.300 -0.146 0.000 1.098 689 I CB 2.321 40.392 38.000 0.118 0.000 1.266 689 I HN 0.638 nan 8.210 nan 0.000 0.434 690 T N 1.390 115.703 114.554 -0.401 0.000 2.806 690 T HA 0.577 4.926 4.350 -0.002 0.000 0.290 690 T C 0.120 174.754 174.700 -0.111 0.000 0.966 690 T CA -0.683 61.244 62.100 -0.288 0.000 1.060 690 T CB 1.117 69.934 68.868 -0.085 0.000 0.927 690 T HN 0.678 nan 8.240 nan 0.000 0.485 691 T N 0.857 115.332 114.554 -0.132 0.000 2.940 691 T HA 0.771 5.120 4.350 -0.002 0.000 0.288 691 T C -0.318 174.367 174.700 -0.024 0.000 1.045 691 T CA -1.143 60.913 62.100 -0.074 0.000 1.018 691 T CB 1.012 69.803 68.868 -0.129 0.000 1.151 691 T HN 0.705 nan 8.240 nan 0.000 0.529 692 L N -0.298 120.928 121.223 0.004 0.000 2.279 692 L HA 0.725 5.064 4.340 -0.002 0.000 0.262 692 L C 0.515 177.398 176.870 0.021 0.000 1.019 692 L CA -1.058 53.796 54.840 0.023 0.000 0.823 692 L CB 0.874 42.963 42.059 0.051 0.000 1.358 692 L HN 0.702 nan 8.230 nan 0.000 0.432 693 N N -1.539 117.177 118.700 0.027 0.000 2.203 693 N HA 0.081 4.820 4.740 -0.002 0.000 0.207 693 N C -0.328 175.183 175.510 0.003 0.000 1.130 693 N CA -0.201 52.865 53.050 0.027 0.000 0.861 693 N CB 0.255 38.758 38.487 0.027 0.000 1.005 693 N HN 0.874 nan 8.380 nan 0.000 0.507 694 E N 0.761 120.957 120.200 -0.006 0.000 2.175 694 E HA 0.221 4.569 4.350 -0.002 0.000 0.278 694 E C -0.958 175.540 176.600 -0.169 0.000 0.969 694 E CA -0.638 55.764 56.400 0.003 0.000 0.796 694 E CB 0.638 30.419 29.700 0.134 0.000 1.104 694 E HN 0.089 nan 8.360 nan 0.000 0.395 695 N N 3.005 121.639 118.700 -0.110 0.000 2.509 695 N HA 0.320 5.059 4.740 -0.002 0.000 0.287 695 N C -1.105 174.366 175.510 -0.066 0.000 1.121 695 N CA -0.002 52.932 53.050 -0.194 0.000 0.977 695 N CB 0.897 39.349 38.487 -0.058 0.000 1.167 695 N HN 0.425 nan 8.380 nan 0.000 0.476 696 Y N -2.678 117.674 120.300 0.086 0.000 2.818 696 Y HA 0.294 4.843 4.550 -0.002 0.000 0.341 696 Y C -0.505 175.480 175.900 0.141 0.000 1.283 696 Y CA -1.341 56.826 58.100 0.111 0.000 1.075 696 Y CB 0.122 38.647 38.460 0.108 0.000 1.370 696 Y HN 0.485 nan 8.280 nan 0.000 0.448 697 H N 2.416 121.701 119.070 0.358 0.000 2.964 697 H HA 0.411 4.966 4.556 -0.002 0.000 0.328 697 H C -0.700 174.810 175.328 0.304 0.000 1.030 697 H CA 0.274 56.463 56.048 0.235 0.000 1.445 697 H CB 0.550 30.397 29.762 0.142 0.000 1.449 697 H HN 0.579 nan 8.280 nan 0.000 0.581 698 M N 8.816 128.171 119.600 -0.408 0.000 2.036 698 M HA 0.240 4.718 4.480 -0.002 0.000 0.337 698 M C -2.547 173.433 176.300 -0.534 0.000 1.012 698 M CA -2.433 52.709 55.300 -0.262 0.000 0.962 698 M CB 1.184 33.758 32.600 -0.043 0.000 1.423 698 M HN 0.564 nan 8.290 nan 0.000 0.405 699 P HA 0.311 nan 4.420 nan 0.000 0.275 699 P C -0.564 176.708 177.300 -0.048 0.000 1.266 699 P CA -0.414 62.544 63.100 -0.236 0.000 0.793 699 P CB 0.786 32.389 31.700 -0.163 0.000 1.074 700 A N 1.382 124.163 122.820 -0.064 0.000 2.351 700 A HA 0.371 4.690 4.320 -0.002 0.000 0.257 700 A C 0.633 177.963 177.584 -0.424 0.000 1.087 700 A CA -0.641 51.317 52.037 -0.132 0.000 0.798 700 A CB -0.269 18.669 19.000 -0.102 0.000 1.033 700 A HN 0.695 nan 8.150 nan 0.000 0.488 701 M N 2.344 121.490 119.600 -0.757 0.000 2.239 701 M HA 0.247 4.725 4.480 -0.002 0.000 0.348 701 M C -2.191 173.746 176.300 -0.604 0.000 1.239 701 M CA -1.301 53.192 55.300 -1.345 0.000 1.114 701 M CB 0.354 32.350 32.600 -1.006 0.000 1.641 701 M HN 0.336 nan 8.290 nan 0.000 0.453 702 P HA 0.092 nan 4.420 nan 0.000 0.271 702 P C -1.391 175.793 177.300 -0.194 0.000 1.216 702 P CA -0.195 62.778 63.100 -0.212 0.000 0.771 702 P CB 0.448 32.106 31.700 -0.071 0.000 0.864 703 E N 2.298 122.423 120.200 -0.125 0.000 2.558 703 E HA 0.205 4.553 4.350 -0.002 0.000 0.255 703 E C 1.104 177.658 176.600 -0.078 0.000 0.968 703 E CA 1.000 57.343 56.400 -0.096 0.000 0.939 703 E CB -0.764 28.899 29.700 -0.062 0.000 0.921 703 E HN 0.751 nan 8.360 nan 0.000 0.477 704 G N 2.890 111.644 108.800 -0.078 0.000 2.153 704 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.252 704 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.252 704 G C 0.768 175.626 174.900 -0.070 0.000 0.994 704 G CA 0.497 45.565 45.100 -0.054 0.000 0.698 704 G HN 0.886 nan 8.290 nan 0.000 0.521 705 A N -0.504 122.229 122.820 -0.145 0.000 2.169 705 A HA 0.416 4.735 4.320 -0.002 0.000 0.212 705 A C 1.885 179.338 177.584 -0.219 0.000 1.153 705 A CA 1.684 53.571 52.037 -0.250 0.000 0.756 705 A CB -0.166 18.543 19.000 -0.485 0.000 0.813 705 A HN 0.544 nan 8.150 nan 0.000 0.471 706 E N 0.324 120.450 120.200 -0.123 0.000 2.065 706 E HA -0.253 4.095 4.350 -0.002 0.000 0.201 706 E C 1.873 178.459 176.600 -0.023 0.000 1.016 706 E CA 1.668 58.031 56.400 -0.062 0.000 0.818 706 E CB -0.206 29.476 29.700 -0.029 0.000 0.749 706 E HN 0.561 nan 8.360 nan 0.000 0.453 707 E N -0.050 120.147 120.200 -0.005 0.000 2.058 707 E HA -0.105 4.243 4.350 -0.002 0.000 0.194 707 E C 2.131 178.742 176.600 0.018 0.000 0.997 707 E CA 1.489 57.893 56.400 0.007 0.000 0.801 707 E CB -0.800 28.917 29.700 0.027 0.000 0.746 707 E HN 0.307 nan 8.360 nan 0.000 0.450 708 G N 0.305 109.164 108.800 0.099 0.000 2.422 708 G HA2 -0.217 3.741 3.960 -0.002 0.000 0.218 708 G HA3 -0.217 3.741 3.960 -0.002 0.000 0.218 708 G C 1.738 176.774 174.900 0.227 0.000 1.146 708 G CA 0.831 46.078 45.100 0.246 0.000 0.769 708 G HN 0.298 nan 8.290 nan 0.000 0.547 709 I N 0.267 120.901 120.570 0.107 0.000 2.226 709 I HA -0.176 3.993 4.170 -0.002 0.000 0.245 709 I C 3.040 179.255 176.117 0.164 0.000 1.100 709 I CA 1.078 62.473 61.300 0.158 0.000 1.374 709 I CB -0.127 37.896 38.000 0.038 0.000 1.057 709 I HN 0.098 nan 8.210 nan 0.000 0.413 710 R N 0.575 121.133 120.500 0.098 0.000 2.092 710 R HA -0.091 4.248 4.340 -0.002 0.000 0.231 710 R C 2.242 178.644 176.300 0.169 0.000 1.119 710 R CA 0.923 57.106 56.100 0.139 0.000 0.970 710 R CB -0.227 30.120 30.300 0.077 0.000 0.864 710 R HN 0.303 nan 8.270 nan 0.000 0.440 711 K N -0.802 119.596 120.400 -0.004 0.000 2.155 711 K HA -0.010 4.308 4.320 -0.002 0.000 0.203 711 K C 1.268 177.835 176.600 -0.055 0.000 1.052 711 K CA 1.374 57.548 56.287 -0.188 0.000 0.948 711 K CB 0.330 32.398 32.500 -0.719 0.000 0.728 711 K HN 0.480 nan 8.250 nan 0.000 0.448 712 G N 0.997 109.856 108.800 0.098 0.000 2.485 712 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.181 712 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.181 712 G C -0.026 174.910 174.900 0.061 0.000 0.999 712 G CA -0.220 44.919 45.100 0.065 0.000 0.721 712 G HN 0.266 nan 8.290 nan 0.000 0.486 713 I N 0.011 120.708 120.570 0.212 0.000 2.882 713 I HA 0.650 4.818 4.170 -0.002 0.000 0.298 713 I C -1.808 174.556 176.117 0.411 0.000 1.462 713 I CA -1.504 59.908 61.300 0.187 0.000 1.000 713 I CB 1.984 39.989 38.000 0.009 0.000 1.340 713 I HN 0.519 nan 8.210 nan 0.000 0.462 714 Y N 3.495 123.922 120.300 0.212 0.000 2.565 714 Y HA 0.439 4.987 4.550 -0.002 0.000 0.330 714 Y C -1.604 174.452 175.900 0.259 0.000 1.150 714 Y CA -1.279 56.959 58.100 0.229 0.000 1.055 714 Y CB 0.753 39.326 38.460 0.190 0.000 1.337 714 Y HN 0.525 nan 8.280 nan 0.000 0.457 715 K N 3.524 124.070 120.400 0.243 0.000 2.349 715 K HA 0.306 4.625 4.320 -0.002 0.000 0.289 715 K C -0.011 176.566 176.600 -0.038 0.000 1.064 715 K CA -0.284 55.939 56.287 -0.107 0.000 0.947 715 K CB 0.673 33.061 32.500 -0.187 0.000 1.007 715 K HN 1.029 nan 8.250 nan 0.000 0.478 716 L N 3.172 124.297 121.223 -0.162 0.000 2.044 716 L HA -0.087 4.252 4.340 -0.002 0.000 0.205 716 L C 0.649 177.517 176.870 -0.004 0.000 1.075 716 L CA 1.352 56.191 54.840 -0.001 0.000 0.747 716 L CB 0.023 42.074 42.059 -0.013 0.000 0.903 716 L HN 0.839 nan 8.230 nan 0.000 0.435 717 E N -2.806 117.334 120.200 -0.099 0.000 2.427 717 E HA 0.224 4.572 4.350 -0.002 0.000 0.279 717 E C -1.283 175.244 176.600 -0.122 0.000 1.120 717 E CA -0.846 55.508 56.400 -0.076 0.000 0.869 717 E CB 1.245 30.928 29.700 -0.029 0.000 1.393 717 E HN -0.307 nan 8.360 nan 0.000 0.443 718 T N 1.320 115.829 114.554 -0.075 0.000 2.847 718 T HA 0.484 4.833 4.350 -0.002 0.000 0.291 718 T C -0.505 174.177 174.700 -0.031 0.000 0.998 718 T CA -0.457 61.603 62.100 -0.066 0.000 0.967 718 T CB 0.318 69.155 68.868 -0.051 0.000 0.954 718 T HN 0.332 nan 8.240 nan 0.000 0.441 719 I N 3.201 123.759 120.570 -0.021 0.000 2.353 719 I HA 0.274 4.443 4.170 -0.002 0.000 0.293 719 I C 0.556 176.677 176.117 0.007 0.000 0.992 719 I CA -0.845 60.455 61.300 -0.001 0.000 1.268 719 I CB 1.088 39.093 38.000 0.009 0.000 1.387 719 I HN 0.427 nan 8.210 nan 0.000 0.478 720 E N 4.722 124.928 120.200 0.010 0.000 2.354 720 E HA 0.539 4.887 4.350 -0.002 0.000 0.269 720 E C 0.008 176.623 176.600 0.024 0.000 1.036 720 E CA -0.236 56.173 56.400 0.014 0.000 0.876 720 E CB 1.656 31.363 29.700 0.011 0.000 1.009 720 E HN 0.819 nan 8.360 nan 0.000 0.416 721 G N -0.221 108.595 108.800 0.027 0.000 2.742 721 G HA2 0.267 4.226 3.960 -0.002 0.000 0.296 721 G HA3 0.267 4.226 3.960 -0.002 0.000 0.296 721 G C 0.198 175.118 174.900 0.034 0.000 1.436 721 G CA -0.326 44.796 45.100 0.037 0.000 0.928 721 G HN 0.381 nan 8.290 nan 0.000 0.520 722 S N 0.138 115.859 115.700 0.035 0.000 2.503 722 S HA 0.121 4.589 4.470 -0.002 0.000 0.215 722 S C 1.307 175.928 174.600 0.035 0.000 1.003 722 S CA 0.140 58.358 58.200 0.030 0.000 0.910 722 S CB 0.247 63.462 63.200 0.025 0.000 0.790 722 S HN 0.288 nan 8.310 nan 0.000 0.514 723 K N 1.684 122.112 120.400 0.048 0.000 2.404 723 K HA 0.480 4.798 4.320 -0.002 0.000 0.194 723 K C 0.966 177.594 176.600 0.048 0.000 1.023 723 K CA 0.474 56.793 56.287 0.052 0.000 1.094 723 K CB 0.290 32.835 32.500 0.075 0.000 0.841 723 K HN 0.541 nan 8.250 nan 0.000 0.523 724 G N 0.252 109.079 108.800 0.045 0.000 2.315 724 G HA2 0.360 4.319 3.960 -0.002 0.000 0.294 724 G HA3 0.360 4.319 3.960 -0.002 0.000 0.294 724 G C -1.922 173.001 174.900 0.038 0.000 1.300 724 G CA -0.780 44.343 45.100 0.038 0.000 0.843 724 G HN -0.057 nan 8.290 nan 0.000 0.527 725 K N -0.420 120.002 120.400 0.036 0.000 2.565 725 K HA 0.689 5.007 4.320 -0.002 0.000 0.251 725 K C -0.567 176.059 176.600 0.045 0.000 0.956 725 K CA -0.191 56.120 56.287 0.039 0.000 0.809 725 K CB 1.533 34.054 32.500 0.036 0.000 1.267 725 K HN 1.554 nan 8.250 nan 0.000 0.438 726 V N -0.170 119.775 119.914 0.052 0.000 3.155 726 V HA 0.681 4.799 4.120 -0.002 0.000 0.313 726 V C -0.937 175.214 176.094 0.095 0.000 1.162 726 V CA -0.883 61.456 62.300 0.066 0.000 1.048 726 V CB 1.958 33.814 31.823 0.056 0.000 1.092 726 V HN 0.735 nan 8.190 nan 0.000 0.447 727 Q N 0.900 120.780 119.800 0.133 0.000 2.333 727 Q HA 0.748 5.087 4.340 -0.002 0.000 0.267 727 Q C -1.635 174.493 176.000 0.213 0.000 1.012 727 Q CA -0.554 55.383 55.803 0.223 0.000 0.824 727 Q CB 2.408 31.307 28.738 0.267 0.000 1.290 727 Q HN 0.716 nan 8.270 nan 0.000 0.449 728 L N 3.617 124.980 121.223 0.234 0.000 2.349 728 L HA 0.532 4.871 4.340 -0.002 0.000 0.278 728 L C -1.230 175.789 176.870 0.248 0.000 0.996 728 L CA -0.766 54.187 54.840 0.188 0.000 0.825 728 L CB 1.174 43.298 42.059 0.109 0.000 1.243 728 L HN 0.331 nan 8.230 nan 0.000 0.412 729 L N 2.456 123.816 121.223 0.228 0.000 2.346 729 L HA 0.957 5.295 4.340 -0.002 0.000 0.274 729 L C 0.355 177.342 176.870 0.194 0.000 1.007 729 L CA -0.083 54.892 54.840 0.226 0.000 0.818 729 L CB 2.046 44.270 42.059 0.274 0.000 1.284 729 L HN 0.640 nan 8.230 nan 0.000 0.424 730 G N 0.087 108.972 108.800 0.141 0.000 2.704 730 G HA2 0.687 4.646 3.960 -0.002 0.000 0.293 730 G HA3 0.687 4.646 3.960 -0.002 0.000 0.293 730 G C -1.616 173.336 174.900 0.087 0.000 1.421 730 G CA -0.206 44.976 45.100 0.136 0.000 0.870 730 G HN 0.674 nan 8.290 nan 0.000 0.492 731 S N -0.644 115.143 115.700 0.145 0.000 2.618 731 S HA 0.864 5.333 4.470 -0.002 0.000 0.277 731 S C 0.951 175.619 174.600 0.113 0.000 1.138 731 S CA 0.740 59.006 58.200 0.110 0.000 0.844 731 S CB 1.339 64.680 63.200 0.234 0.000 1.127 731 S HN 2.700 nan 8.310 nan 0.000 0.474 732 G N 2.251 111.096 108.800 0.076 0.000 2.652 732 G HA2 -0.382 3.577 3.960 -0.002 0.000 0.318 732 G HA3 -0.382 3.577 3.960 -0.002 0.000 0.318 732 G C 1.193 176.129 174.900 0.061 0.000 1.295 732 G CA 1.876 47.031 45.100 0.092 0.000 0.999 732 G HN 2.228 nan 8.290 nan 0.000 0.548 733 S N -0.471 115.306 115.700 0.128 0.000 2.489 733 S HA 0.129 4.598 4.470 -0.002 0.000 0.228 733 S C 2.169 176.850 174.600 0.135 0.000 0.995 733 S CA 1.476 59.769 58.200 0.156 0.000 0.934 733 S CB 0.044 63.368 63.200 0.205 0.000 0.771 733 S HN 0.536 nan 8.310 nan 0.000 0.522 734 I N 1.227 121.869 120.570 0.120 0.000 3.059 734 I HA 0.121 4.290 4.170 -0.002 0.000 0.270 734 I C 2.076 178.273 176.117 0.132 0.000 1.238 734 I CA 0.292 61.686 61.300 0.156 0.000 1.478 734 I CB -1.076 36.976 38.000 0.086 0.000 1.097 734 I HN 0.353 nan 8.210 nan 0.000 0.455 735 L N 2.484 123.724 121.223 0.028 0.000 2.012 735 L HA -0.210 4.129 4.340 -0.002 0.000 0.210 735 L C 2.802 179.642 176.870 -0.049 0.000 1.073 735 L CA 1.989 56.813 54.840 -0.027 0.000 0.748 735 L CB -0.746 41.227 42.059 -0.143 0.000 0.891 735 L HN 0.328 nan 8.230 nan 0.000 0.431 736 R N -1.975 118.425 120.500 -0.166 0.000 2.152 736 R HA -0.188 4.151 4.340 -0.002 0.000 0.232 736 R C 1.840 178.004 176.300 -0.227 0.000 1.117 736 R CA 1.869 57.834 56.100 -0.226 0.000 0.981 736 R CB -1.017 29.014 30.300 -0.448 0.000 0.870 736 R HN 0.485 nan 8.270 nan 0.000 0.451 737 H N -0.101 118.938 119.070 -0.052 0.000 2.470 737 H HA 0.082 4.636 4.556 -0.002 0.000 0.289 737 H C 1.892 177.219 175.328 -0.002 0.000 1.033 737 H CA 1.208 57.246 56.048 -0.016 0.000 1.331 737 H CB 0.384 30.146 29.762 0.000 0.000 1.414 737 H HN -0.041 nan 8.280 nan 0.000 0.545 738 V N 0.486 120.462 119.914 0.104 0.000 2.591 738 V HA -0.134 3.985 4.120 -0.002 0.000 0.249 738 V C 2.222 178.344 176.094 0.048 0.000 1.053 738 V CA 1.345 63.690 62.300 0.075 0.000 1.068 738 V CB -0.159 31.712 31.823 0.079 0.000 0.689 738 V HN 0.384 nan 8.190 nan 0.000 0.462 739 R N -0.239 120.278 120.500 0.029 0.000 2.148 739 R HA -0.092 4.246 4.340 -0.002 0.000 0.223 739 R C 2.217 178.527 176.300 0.016 0.000 1.088 739 R CA 0.927 57.042 56.100 0.025 0.000 0.985 739 R CB -0.137 30.182 30.300 0.032 0.000 0.880 739 R HN 0.600 nan 8.270 nan 0.000 0.451 740 E N 0.680 120.881 120.200 0.001 0.000 2.107 740 E HA -0.101 4.247 4.350 -0.002 0.000 0.191 740 E C 1.770 178.384 176.600 0.023 0.000 0.982 740 E CA 0.859 57.261 56.400 0.002 0.000 0.809 740 E CB 0.103 29.792 29.700 -0.018 0.000 0.756 740 E HN 0.250 nan 8.360 nan 0.000 0.459 741 A N 1.224 124.060 122.820 0.026 0.000 1.972 741 A HA -0.072 4.246 4.320 -0.002 0.000 0.219 741 A C 2.344 179.957 177.584 0.049 0.000 1.169 741 A CA 1.608 53.659 52.037 0.024 0.000 0.635 741 A CB -0.549 18.462 19.000 0.017 0.000 0.810 741 A HN 0.374 nan 8.150 nan 0.000 0.446 742 A N -0.391 122.457 122.820 0.045 0.000 1.972 742 A HA -0.116 4.202 4.320 -0.002 0.000 0.219 742 A C 1.966 179.584 177.584 0.057 0.000 1.169 742 A CA 2.062 54.128 52.037 0.049 0.000 0.635 742 A CB -0.366 18.654 19.000 0.034 0.000 0.810 742 A HN 0.526 nan 8.150 nan 0.000 0.446 743 E N 0.201 120.432 120.200 0.051 0.000 2.072 743 E HA -0.062 4.286 4.350 -0.002 0.000 0.190 743 E C 1.700 178.347 176.600 0.078 0.000 0.982 743 E CA 1.112 57.543 56.400 0.052 0.000 0.803 743 E CB -0.356 29.366 29.700 0.036 0.000 0.755 743 E HN 0.612 nan 8.360 nan 0.000 0.453 744 I N 0.173 120.803 120.570 0.101 0.000 2.179 744 I HA -0.280 3.889 4.170 -0.002 0.000 0.242 744 I C 2.246 178.514 176.117 0.251 0.000 1.088 744 I CA 0.911 62.310 61.300 0.164 0.000 1.357 744 I CB -0.225 37.892 38.000 0.194 0.000 1.051 744 I HN 0.158 nan 8.210 nan 0.000 0.409 745 L N 0.310 121.677 121.223 0.239 0.000 2.042 745 L HA -0.232 4.107 4.340 -0.002 0.000 0.210 745 L C 2.764 179.778 176.870 0.240 0.000 1.076 745 L CA 1.523 56.538 54.840 0.292 0.000 0.749 745 L CB -0.669 41.474 42.059 0.139 0.000 0.893 745 L HN 0.258 nan 8.230 nan 0.000 0.432 746 A N -0.332 122.572 122.820 0.139 0.000 1.897 746 A HA -0.203 4.116 4.320 -0.002 0.000 0.215 746 A C 2.295 179.923 177.584 0.074 0.000 1.181 746 A CA 1.742 53.835 52.037 0.094 0.000 0.620 746 A CB -0.304 18.732 19.000 0.060 0.000 0.821 746 A HN 0.220 nan 8.150 nan 0.000 0.443 747 K N 0.054 120.492 120.400 0.064 0.000 2.007 747 K HA -0.105 4.214 4.320 -0.002 0.000 0.206 747 K C 1.033 177.613 176.600 -0.035 0.000 1.047 747 K CA 1.869 58.168 56.287 0.020 0.000 0.937 747 K CB -0.129 32.385 32.500 0.023 0.000 0.718 747 K HN 0.363 nan 8.250 nan 0.000 0.438 748 D N -1.452 118.903 120.400 -0.076 0.000 2.305 748 D HA -0.021 4.618 4.640 -0.002 0.000 0.206 748 D C 0.545 176.480 176.300 -0.608 0.000 0.974 748 D CA 0.891 54.663 54.000 -0.381 0.000 0.871 748 D CB 0.270 40.718 40.800 -0.586 0.000 0.947 748 D HN 0.331 nan 8.370 nan 0.000 0.516 749 Y N -0.955 119.369 120.300 0.039 0.000 2.563 749 Y HA 0.343 4.892 4.550 -0.002 0.000 0.250 749 Y C 1.624 177.540 175.900 0.026 0.000 1.126 749 Y CA -0.216 57.903 58.100 0.032 0.000 1.231 749 Y CB 0.842 39.327 38.460 0.042 0.000 1.288 749 Y HN -0.058 nan 8.280 nan 0.000 0.537 750 G N 1.081 109.956 108.800 0.124 0.000 2.203 750 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.263 750 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.263 750 G C -0.167 174.790 174.900 0.095 0.000 1.012 750 G CA 0.471 45.622 45.100 0.084 0.000 0.749 750 G HN 0.167 nan 8.290 nan 0.000 0.512 751 V N 0.787 120.778 119.914 0.128 0.000 2.406 751 V HA 0.664 4.782 4.120 -0.002 0.000 0.272 751 V C 1.268 177.407 176.094 0.074 0.000 1.043 751 V CA 0.142 62.499 62.300 0.096 0.000 0.915 751 V CB 1.202 33.083 31.823 0.096 0.000 0.988 751 V HN 0.591 nan 8.190 nan 0.000 0.466 752 G N 3.741 112.573 108.800 0.053 0.000 2.557 752 G HA2 0.713 4.672 3.960 -0.002 0.000 0.292 752 G HA3 0.713 4.672 3.960 -0.002 0.000 0.292 752 G C -0.274 174.648 174.900 0.037 0.000 1.237 752 G CA 0.206 45.330 45.100 0.040 0.000 0.978 752 G HN 1.072 nan 8.290 nan 0.000 0.498 753 S N -1.148 114.566 115.700 0.023 0.000 2.578 753 S HA 0.416 4.884 4.470 -0.002 0.000 0.272 753 S C -2.156 172.432 174.600 -0.020 0.000 1.145 753 S CA -0.980 57.232 58.200 0.021 0.000 0.835 753 S CB 2.158 65.378 63.200 0.033 0.000 1.104 753 S HN 0.412 nan 8.310 nan 0.000 0.458 754 D N 1.234 121.614 120.400 -0.034 0.000 2.303 754 D HA 0.546 5.185 4.640 -0.002 0.000 0.236 754 D C -0.699 175.432 176.300 -0.281 0.000 1.068 754 D CA -0.162 53.720 54.000 -0.195 0.000 0.830 754 D CB 1.942 42.646 40.800 -0.159 0.000 1.109 754 D HN 0.452 nan 8.370 nan 0.000 0.496 755 V N 3.656 123.353 119.914 -0.362 0.000 2.398 755 V HA 0.321 4.439 4.120 -0.002 0.000 0.286 755 V C -0.753 175.101 176.094 -0.399 0.000 1.026 755 V CA -0.682 61.477 62.300 -0.235 0.000 0.868 755 V CB 0.529 32.296 31.823 -0.093 0.000 0.982 755 V HN 0.353 nan 8.190 nan 0.000 0.443 756 Y N 1.931 122.194 120.300 -0.061 0.000 2.393 756 Y HA 0.547 5.096 4.550 -0.002 0.000 0.341 756 Y C 0.531 176.302 175.900 -0.215 0.000 0.988 756 Y CA -0.604 57.405 58.100 -0.151 0.000 1.078 756 Y CB 2.134 40.523 38.460 -0.118 0.000 1.203 756 Y HN 0.555 nan 8.280 nan 0.000 0.453 757 S N 2.499 118.033 115.700 -0.278 0.000 2.438 757 S HA 0.551 5.020 4.470 -0.002 0.000 0.293 757 S C -1.019 173.422 174.600 -0.265 0.000 1.141 757 S CA -0.576 57.450 58.200 -0.289 0.000 1.080 757 S CB 0.118 63.084 63.200 -0.391 0.000 0.978 757 S HN 0.454 nan 8.310 nan 0.000 0.479 758 V N 6.332 126.107 119.914 -0.232 0.000 2.304 758 V HA 0.229 4.347 4.120 -0.002 0.000 0.269 758 V C 1.493 177.436 176.094 -0.252 0.000 1.036 758 V CA -0.200 61.869 62.300 -0.385 0.000 0.840 758 V CB 0.393 31.636 31.823 -0.966 0.000 1.036 758 V HN 1.077 nan 8.190 nan 0.000 0.466 759 T N -0.235 114.290 114.554 -0.048 0.000 3.055 759 T HA 0.023 4.372 4.350 -0.002 0.000 0.265 759 T C 0.831 175.607 174.700 0.126 0.000 1.111 759 T CA 0.745 62.919 62.100 0.124 0.000 1.118 759 T CB 0.220 69.263 68.868 0.292 0.000 0.909 759 T HN 0.557 nan 8.240 nan 0.000 0.501 760 S N -0.434 115.203 115.700 -0.106 0.000 2.357 760 S HA 0.420 4.889 4.470 -0.002 0.000 0.209 760 S C -0.196 174.223 174.600 -0.303 0.000 0.981 760 S CA -0.805 57.264 58.200 -0.220 0.000 1.106 760 S CB -0.489 62.452 63.200 -0.432 0.000 1.266 760 S HN 0.161 nan 8.310 nan 0.000 0.410 761 F N 2.167 121.875 119.950 -0.402 0.000 2.171 761 F HA -0.064 4.461 4.527 -0.002 0.000 0.300 761 F C 2.672 178.284 175.800 -0.313 0.000 1.090 761 F CA 1.921 59.641 58.000 -0.467 0.000 1.293 761 F CB -0.514 37.921 39.000 -0.942 0.000 1.013 761 F HN 0.484 nan 8.300 nan 0.000 0.486 762 T N -0.833 113.681 114.554 -0.067 0.000 2.708 762 T HA -0.166 4.182 4.350 -0.002 0.000 0.266 762 T C 1.851 176.483 174.700 -0.114 0.000 1.037 762 T CA 1.414 63.493 62.100 -0.036 0.000 1.146 762 T CB -0.208 68.681 68.868 0.035 0.000 0.865 762 T HN 0.108 nan 8.240 nan 0.000 0.435 763 E N 0.956 121.039 120.200 -0.196 0.000 2.153 763 E HA 0.001 4.350 4.350 -0.002 0.000 0.194 763 E C 2.246 178.746 176.600 -0.167 0.000 0.988 763 E CA 0.602 56.873 56.400 -0.215 0.000 0.811 763 E CB -0.339 29.181 29.700 -0.298 0.000 0.746 763 E HN 0.483 nan 8.360 nan 0.000 0.466 764 L N -0.004 121.133 121.223 -0.143 0.000 2.072 764 L HA -0.091 4.248 4.340 -0.002 0.000 0.205 764 L C 2.499 179.267 176.870 -0.171 0.000 1.079 764 L CA 1.038 55.808 54.840 -0.116 0.000 0.752 764 L CB -0.484 41.523 42.059 -0.086 0.000 0.906 764 L HN 0.042 nan 8.230 nan 0.000 0.436 765 A N 0.081 122.832 122.820 -0.116 0.000 1.933 765 A HA -0.205 4.114 4.320 -0.002 0.000 0.218 765 A C 2.366 179.811 177.584 -0.233 0.000 1.175 765 A CA 1.427 53.387 52.037 -0.127 0.000 0.628 765 A CB -0.438 18.581 19.000 0.033 0.000 0.814 765 A HN 0.277 nan 8.150 nan 0.000 0.444 766 R N -0.512 119.891 120.500 -0.162 0.000 2.070 766 R HA -0.168 4.171 4.340 -0.002 0.000 0.233 766 R C 2.080 178.263 176.300 -0.196 0.000 1.137 766 R CA 1.811 57.823 56.100 -0.146 0.000 0.945 766 R CB -0.469 29.757 30.300 -0.123 0.000 0.845 766 R HN 0.746 nan 8.270 nan 0.000 0.430 767 D N -0.816 119.456 120.400 -0.213 0.000 2.106 767 D HA -0.151 4.487 4.640 -0.002 0.000 0.191 767 D C 1.922 178.039 176.300 -0.304 0.000 0.997 767 D CA 1.808 55.685 54.000 -0.205 0.000 0.834 767 D CB -0.341 40.365 40.800 -0.156 0.000 0.956 767 D HN 0.275 nan 8.370 nan 0.000 0.448 768 G N -0.580 107.866 108.800 -0.591 0.000 2.440 768 G HA2 -0.323 3.635 3.960 -0.002 0.000 0.218 768 G HA3 -0.323 3.635 3.960 -0.002 0.000 0.218 768 G C 1.632 176.108 174.900 -0.706 0.000 1.154 768 G CA 0.884 45.338 45.100 -1.076 0.000 0.767 768 G HN 0.370 nan 8.290 nan 0.000 0.552 769 Q N 0.040 119.531 119.800 -0.515 0.000 2.084 769 Q HA -0.115 4.223 4.340 -0.002 0.000 0.202 769 Q C 2.251 178.248 176.000 -0.007 0.000 0.978 769 Q CA 1.467 57.232 55.803 -0.063 0.000 0.844 769 Q CB -0.105 28.622 28.738 -0.018 0.000 0.898 769 Q HN 0.356 nan 8.270 nan 0.000 0.426 770 D N -0.219 120.146 120.400 -0.058 0.000 2.144 770 D HA -0.127 4.512 4.640 -0.002 0.000 0.199 770 D C 1.856 178.193 176.300 0.061 0.000 0.984 770 D CA 0.769 54.771 54.000 0.003 0.000 0.834 770 D CB -0.360 40.416 40.800 -0.041 0.000 0.955 770 D HN 0.252 nan 8.370 nan 0.000 0.465 771 C N 1.040 120.347 119.300 0.013 0.000 2.462 771 C HA -0.067 4.391 4.460 -0.002 0.000 0.278 771 C C 2.493 177.599 174.990 0.192 0.000 1.253 771 C CA 0.495 59.554 59.018 0.069 0.000 1.713 771 C CB -0.528 27.218 27.740 0.011 0.000 2.049 771 C HN 0.322 nan 8.230 nan 0.000 0.477 772 E N 0.532 120.840 120.200 0.180 0.000 2.153 772 E HA -0.173 4.176 4.350 -0.002 0.000 0.194 772 E C 2.146 178.855 176.600 0.181 0.000 0.988 772 E CA 0.747 57.268 56.400 0.201 0.000 0.811 772 E CB -0.578 29.265 29.700 0.239 0.000 0.746 772 E HN 0.655 nan 8.360 nan 0.000 0.466 773 R N -0.446 120.159 120.500 0.174 0.000 2.075 773 R HA -0.145 4.194 4.340 -0.002 0.000 0.232 773 R C 2.145 178.568 176.300 0.206 0.000 1.126 773 R CA 1.374 57.564 56.100 0.151 0.000 0.963 773 R CB -0.490 29.886 30.300 0.126 0.000 0.858 773 R HN 0.241 nan 8.270 nan 0.000 0.435 774 W N 2.075 123.427 121.300 0.086 0.000 2.388 774 W HA -0.104 4.555 4.660 -0.002 0.000 0.294 774 W C 1.511 178.158 176.519 0.214 0.000 1.212 774 W CA 1.480 58.921 57.345 0.159 0.000 1.271 774 W CB -0.110 29.380 29.460 0.050 0.000 1.126 774 W HN 0.176 nan 8.180 nan 0.000 0.535 775 N N 0.249 119.189 118.700 0.400 0.000 2.084 775 N HA -0.246 4.493 4.740 -0.002 0.000 0.190 775 N C 1.834 177.368 175.510 0.040 0.000 1.030 775 N CA 2.139 55.331 53.050 0.237 0.000 0.849 775 N CB -1.168 37.465 38.487 0.242 0.000 1.012 775 N HN 0.357 nan 8.380 nan 0.000 0.423 776 M N 0.050 119.674 119.600 0.041 0.000 2.229 776 M HA -0.039 4.440 4.480 -0.002 0.000 0.264 776 M C 1.091 177.328 176.300 -0.104 0.000 1.063 776 M CA 1.340 56.630 55.300 -0.018 0.000 1.114 776 M CB 0.056 32.660 32.600 0.006 0.000 1.387 776 M HN 0.032 nan 8.290 nan 0.000 0.420 777 L N -0.855 120.270 121.223 -0.162 0.000 2.509 777 L HA 0.008 4.347 4.340 -0.002 0.000 0.222 777 L C 0.143 176.582 176.870 -0.719 0.000 1.123 777 L CA 0.279 54.903 54.840 -0.361 0.000 0.856 777 L CB -0.261 41.601 42.059 -0.329 0.000 0.985 777 L HN 0.367 nan 8.230 nan 0.000 0.456 778 H N -0.771 117.995 119.070 -0.508 0.000 2.336 778 H HA 0.167 4.722 4.556 -0.002 0.000 0.230 778 H C -1.676 173.445 175.328 -0.344 0.000 1.426 778 H CA -1.493 54.206 56.048 -0.581 0.000 1.359 778 H CB 0.365 29.377 29.762 -1.250 0.000 1.555 778 H HN -0.084 nan 8.280 nan 0.000 0.512 779 P HA -0.142 nan 4.420 nan 0.000 0.221 779 P C 0.774 178.050 177.300 -0.040 0.000 1.145 779 P CA 1.046 64.100 63.100 -0.077 0.000 0.795 779 P CB 0.573 32.226 31.700 -0.078 0.000 0.775 780 L N -1.802 119.395 121.223 -0.042 0.000 2.607 780 L HA 0.205 4.543 4.340 -0.002 0.000 0.228 780 L C 1.041 177.926 176.870 0.026 0.000 1.123 780 L CA 0.031 54.866 54.840 -0.007 0.000 0.890 780 L CB -0.307 41.745 42.059 -0.011 0.000 1.103 780 L HN -0.140 nan 8.230 nan 0.000 0.468 781 E N 0.678 120.898 120.200 0.033 0.000 2.283 781 E HA 0.258 4.606 4.350 -0.002 0.000 0.267 781 E C -0.174 176.526 176.600 0.166 0.000 1.045 781 E CA -0.286 56.184 56.400 0.118 0.000 0.884 781 E CB 1.226 31.015 29.700 0.149 0.000 1.106 781 E HN -0.134 nan 8.360 nan 0.000 0.408 782 T N 3.760 118.429 114.554 0.190 0.000 2.888 782 T HA 0.183 4.532 4.350 -0.002 0.000 0.301 782 T C -2.162 172.675 174.700 0.228 0.000 1.001 782 T CA -0.903 61.289 62.100 0.155 0.000 1.147 782 T CB 0.165 69.094 68.868 0.102 0.000 0.931 782 T HN 0.125 nan 8.240 nan 0.000 0.541 783 P HA 0.134 nan 4.420 nan 0.000 0.264 783 P C -0.018 177.369 177.300 0.145 0.000 1.183 783 P CA -0.078 63.146 63.100 0.206 0.000 0.763 783 P CB 0.481 32.259 31.700 0.130 0.000 0.807 784 R N 1.514 122.102 120.500 0.147 0.000 2.357 784 R HA 0.352 4.691 4.340 -0.002 0.000 0.296 784 R C -0.608 175.700 176.300 0.013 0.000 1.052 784 R CA -0.778 55.309 56.100 -0.022 0.000 0.988 784 R CB 0.721 30.903 30.300 -0.196 0.000 1.025 784 R HN 0.261 nan 8.270 nan 0.000 0.469 785 V N 5.157 125.060 119.914 -0.018 0.000 2.406 785 V HA 0.227 4.346 4.120 -0.002 0.000 0.272 785 V C -2.023 174.064 176.094 -0.012 0.000 1.043 785 V CA -2.260 60.038 62.300 -0.003 0.000 0.915 785 V CB 1.037 32.849 31.823 -0.018 0.000 0.988 785 V HN 0.667 nan 8.190 nan 0.000 0.466 786 P HA 0.017 nan 4.420 nan 0.000 0.266 786 P C 0.376 177.673 177.300 -0.005 0.000 1.195 786 P CA 0.044 63.131 63.100 -0.022 0.000 0.768 786 P CB 0.427 32.111 31.700 -0.026 0.000 0.838 787 Y N 3.488 123.728 120.300 -0.101 0.000 2.151 787 Y HA -0.237 4.311 4.550 -0.002 0.000 0.284 787 Y C 2.024 177.880 175.900 -0.074 0.000 1.166 787 Y CA 1.590 59.644 58.100 -0.078 0.000 1.163 787 Y CB -0.601 37.812 38.460 -0.079 0.000 0.974 787 Y HN 0.330 nan 8.280 nan 0.000 0.511 788 I N -0.321 120.207 120.570 -0.070 0.000 2.361 788 I HA -0.261 3.908 4.170 -0.002 0.000 0.251 788 I C 2.177 178.165 176.117 -0.213 0.000 1.133 788 I CA 1.588 62.790 61.300 -0.164 0.000 1.413 788 I CB -0.308 37.633 38.000 -0.099 0.000 1.073 788 I HN 0.304 nan 8.210 nan 0.000 0.424 789 A N -0.267 122.468 122.820 -0.142 0.000 2.067 789 A HA -0.133 4.186 4.320 -0.002 0.000 0.217 789 A C 2.161 179.659 177.584 -0.143 0.000 1.156 789 A CA 0.908 52.874 52.037 -0.119 0.000 0.683 789 A CB -0.343 18.628 19.000 -0.048 0.000 0.808 789 A HN 0.588 nan 8.150 nan 0.000 0.455 790 Q N -0.615 119.063 119.800 -0.204 0.000 2.187 790 Q HA -0.037 4.302 4.340 -0.002 0.000 0.199 790 Q C 1.916 177.773 176.000 -0.239 0.000 0.957 790 Q CA 1.373 57.049 55.803 -0.212 0.000 0.857 790 Q CB -0.057 28.526 28.738 -0.259 0.000 0.929 790 Q HN 0.507 nan 8.270 nan 0.000 0.453 791 V N 0.322 120.032 119.914 -0.340 0.000 2.446 791 V HA -0.059 4.060 4.120 -0.002 0.000 0.244 791 V C 1.333 177.380 176.094 -0.079 0.000 1.039 791 V CA 0.954 63.122 62.300 -0.221 0.000 1.045 791 V CB -0.091 31.561 31.823 -0.286 0.000 0.681 791 V HN 0.282 nan 8.190 nan 0.000 0.459 792 M N 0.694 120.171 119.600 -0.205 0.000 2.245 792 M HA 0.295 4.773 4.480 -0.002 0.000 0.292 792 M C 0.342 176.612 176.300 -0.050 0.000 1.176 792 M CA 0.061 55.245 55.300 -0.193 0.000 1.035 792 M CB 0.832 33.217 32.600 -0.358 0.000 1.440 792 M HN 0.496 nan 8.290 nan 0.000 0.494 793 N N -0.965 117.739 118.700 0.007 0.000 3.255 793 N HA 0.290 5.028 4.740 -0.002 0.000 0.359 793 N C -0.680 174.830 175.510 -0.000 0.000 1.463 793 N CA -0.705 52.355 53.050 0.015 0.000 0.695 793 N CB 0.337 38.855 38.487 0.052 0.000 1.581 793 N HN 0.617 nan 8.380 nan 0.000 0.622 794 D N -1.435 118.972 120.400 0.011 0.000 2.363 794 D HA 0.183 4.822 4.640 -0.002 0.000 0.214 794 D C -0.130 176.184 176.300 0.022 0.000 1.093 794 D CA -0.417 53.587 54.000 0.006 0.000 0.837 794 D CB -0.254 40.548 40.800 0.002 0.000 0.948 794 D HN 0.618 nan 8.370 nan 0.000 0.507 795 A N 2.042 124.886 122.820 0.040 0.000 2.407 795 A HA 0.395 4.714 4.320 -0.002 0.000 0.248 795 A C -2.191 175.428 177.584 0.058 0.000 1.082 795 A CA -1.055 51.011 52.037 0.048 0.000 0.785 795 A CB -0.156 18.880 19.000 0.060 0.000 1.020 795 A HN 0.053 nan 8.150 nan 0.000 0.489 796 P HA 0.170 nan 4.420 nan 0.000 0.261 796 P C -0.423 176.932 177.300 0.092 0.000 1.173 796 P CA 0.731 63.869 63.100 0.064 0.000 0.760 796 P CB 0.382 32.108 31.700 0.045 0.000 0.783 797 A N 3.326 126.227 122.820 0.134 0.000 2.356 797 A HA 0.706 5.024 4.320 -0.002 0.000 0.323 797 A C -0.850 176.835 177.584 0.168 0.000 1.119 797 A CA -0.756 51.396 52.037 0.192 0.000 0.790 797 A CB 1.874 21.035 19.000 0.267 0.000 1.273 797 A HN 0.439 nan 8.150 nan 0.000 0.452 798 V N 0.617 120.609 119.914 0.130 0.000 2.808 798 V HA 0.834 4.953 4.120 -0.002 0.000 0.308 798 V C -0.466 175.658 176.094 0.050 0.000 1.099 798 V CA 0.203 62.513 62.300 0.017 0.000 0.920 798 V CB 1.576 33.404 31.823 0.009 0.000 1.014 798 V HN 1.911 nan 8.190 nan 0.000 0.425 799 A N 4.272 127.058 122.820 -0.057 0.000 2.413 799 A HA 0.963 5.282 4.320 -0.002 0.000 0.307 799 A C -0.558 177.017 177.584 -0.016 0.000 1.087 799 A CA -0.390 51.671 52.037 0.040 0.000 0.750 799 A CB 2.211 21.266 19.000 0.092 0.000 1.296 799 A HN 1.395 nan 8.150 nan 0.000 0.423 800 S N -0.354 115.384 115.700 0.062 0.000 2.546 800 S HA 0.829 5.298 4.470 -0.002 0.000 0.272 800 S C -0.495 174.169 174.600 0.107 0.000 1.140 800 S CA 0.277 58.501 58.200 0.039 0.000 0.920 800 S CB 1.450 64.671 63.200 0.036 0.000 1.083 800 S HN 1.857 nan 8.310 nan 0.000 0.476 801 T N 0.318 114.931 114.554 0.097 0.000 2.787 801 T HA 0.497 4.845 4.350 -0.002 0.000 0.297 801 T C -0.542 174.210 174.700 0.086 0.000 1.221 801 T CA -0.507 61.710 62.100 0.194 0.000 1.006 801 T CB 1.403 70.516 68.868 0.408 0.000 1.328 801 T HN 0.299 nan 8.240 nan 0.000 0.509 802 D N -0.506 119.937 120.400 0.073 0.000 2.319 802 D HA 0.272 4.910 4.640 -0.002 0.000 0.230 802 D C -0.787 175.163 176.300 -0.583 0.000 1.094 802 D CA 0.119 53.976 54.000 -0.238 0.000 0.856 802 D CB -0.272 40.362 40.800 -0.276 0.000 0.915 802 D HN 0.424 nan 8.370 nan 0.000 0.517 803 Y N -0.196 120.059 120.300 -0.076 0.000 2.621 803 Y HA 0.345 4.894 4.550 -0.002 0.000 0.334 803 Y C 0.907 176.765 175.900 -0.069 0.000 1.074 803 Y CA -1.474 56.559 58.100 -0.111 0.000 1.149 803 Y CB 0.706 39.035 38.460 -0.219 0.000 1.302 803 Y HN -0.200 nan 8.280 nan 0.000 0.501 804 M N 0.062 119.706 119.600 0.073 0.000 2.252 804 M HA 0.165 4.644 4.480 -0.002 0.000 0.321 804 M C 0.571 176.898 176.300 0.044 0.000 1.070 804 M CA 0.015 55.329 55.300 0.022 0.000 1.143 804 M CB 0.444 33.056 32.600 0.020 0.000 1.498 804 M HN 0.685 nan 8.290 nan 0.000 0.445 805 K N 0.640 121.028 120.400 -0.020 0.000 2.144 805 K HA -0.206 4.113 4.320 -0.002 0.000 0.209 805 K C 1.729 178.292 176.600 -0.062 0.000 1.047 805 K CA 1.572 57.822 56.287 -0.062 0.000 0.927 805 K CB -0.491 31.959 32.500 -0.084 0.000 0.716 805 K HN 0.596 nan 8.250 nan 0.000 0.454 806 L N 0.594 121.808 121.223 -0.014 0.000 2.189 806 L HA -0.171 4.167 4.340 -0.002 0.000 0.214 806 L C 1.883 178.763 176.870 0.017 0.000 1.097 806 L CA 1.449 56.288 54.840 -0.002 0.000 0.764 806 L CB -0.566 41.507 42.059 0.023 0.000 0.900 806 L HN 0.114 nan 8.230 nan 0.000 0.436 807 F N 0.049 119.916 119.950 -0.139 0.000 2.161 807 F HA -0.165 4.361 4.527 -0.002 0.000 0.300 807 F C 2.161 177.666 175.800 -0.492 0.000 1.089 807 F CA 1.418 59.296 58.000 -0.203 0.000 1.282 807 F CB -0.511 38.405 39.000 -0.139 0.000 1.010 807 F HN 0.146 nan 8.300 nan 0.000 0.485 808 A N -1.243 121.115 122.820 -0.770 0.000 2.115 808 A HA 0.085 4.404 4.320 -0.002 0.000 0.211 808 A C 2.005 179.316 177.584 -0.455 0.000 1.169 808 A CA 0.528 51.734 52.037 -1.385 0.000 0.787 808 A CB -0.533 17.734 19.000 -1.221 0.000 0.858 808 A HN 0.392 nan 8.150 nan 0.000 0.474 809 E N 0.437 120.499 120.200 -0.230 0.000 2.274 809 E HA -0.192 4.156 4.350 -0.002 0.000 0.194 809 E C 1.999 178.619 176.600 0.033 0.000 0.996 809 E CA 0.956 57.344 56.400 -0.020 0.000 0.840 809 E CB -0.082 29.581 29.700 -0.062 0.000 0.772 809 E HN 0.865 nan 8.360 nan 0.000 0.491 810 Q N -0.131 119.657 119.800 -0.021 0.000 2.439 810 Q HA -0.111 4.228 4.340 -0.002 0.000 0.211 810 Q C 1.626 177.702 176.000 0.126 0.000 0.978 810 Q CA 1.433 57.260 55.803 0.041 0.000 0.897 810 Q CB -0.121 28.636 28.738 0.032 0.000 0.956 810 Q HN 0.294 nan 8.270 nan 0.000 0.483 811 V N -2.712 117.282 119.914 0.133 0.000 3.542 811 V HA 0.226 4.345 4.120 -0.002 0.000 0.296 811 V C 2.010 178.107 176.094 0.005 0.000 1.364 811 V CA 0.313 62.747 62.300 0.223 0.000 1.118 811 V CB -0.140 31.796 31.823 0.188 0.000 0.972 811 V HN 0.147 nan 8.190 nan 0.000 0.430 812 R N 2.069 122.547 120.500 -0.037 0.000 2.112 812 R HA -0.171 4.168 4.340 -0.002 0.000 0.242 812 R C 2.063 178.196 176.300 -0.279 0.000 1.137 812 R CA 2.858 58.885 56.100 -0.122 0.000 0.944 812 R CB -1.477 28.860 30.300 0.062 0.000 0.857 812 R HN 0.494 nan 8.270 nan 0.000 0.435 813 T N -0.086 114.199 114.554 -0.448 0.000 2.778 813 T HA -0.173 4.175 4.350 -0.002 0.000 0.269 813 T C 0.945 175.222 174.700 -0.706 0.000 1.050 813 T CA 1.839 63.544 62.100 -0.657 0.000 1.137 813 T CB -0.338 67.956 68.868 -0.958 0.000 0.860 813 T HN 0.404 nan 8.240 nan 0.000 0.468 814 Y N 0.078 120.320 120.300 -0.097 0.000 2.482 814 Y HA 0.374 4.923 4.550 -0.002 0.000 0.270 814 Y C 0.938 176.737 175.900 -0.168 0.000 1.152 814 Y CA -0.878 57.157 58.100 -0.108 0.000 1.292 814 Y CB -0.332 38.077 38.460 -0.085 0.000 1.070 814 Y HN -0.076 nan 8.280 nan 0.000 0.528 815 V N 5.510 125.307 119.914 -0.196 0.000 2.439 815 V HA 0.038 4.157 4.120 -0.002 0.000 0.271 815 V C -1.319 174.661 176.094 -0.190 0.000 1.040 815 V CA -1.250 60.872 62.300 -0.296 0.000 1.002 815 V CB 0.999 32.433 31.823 -0.648 0.000 1.000 815 V HN 0.134 nan 8.190 nan 0.000 0.477 816 P HA 0.122 nan 4.420 nan 0.000 0.263 816 P C -0.020 177.241 177.300 -0.064 0.000 1.386 816 P CA 0.355 63.404 63.100 -0.084 0.000 0.797 816 P CB 0.273 31.931 31.700 -0.071 0.000 1.381 817 A N 0.692 123.469 122.820 -0.072 0.000 2.355 817 A HA 0.392 4.710 4.320 -0.002 0.000 0.324 817 A C 1.261 178.840 177.584 -0.007 0.000 1.117 817 A CA -0.654 51.368 52.037 -0.024 0.000 0.785 817 A CB 1.066 20.067 19.000 0.002 0.000 1.254 817 A HN 0.022 nan 8.150 nan 0.000 0.453 818 D N 0.577 120.982 120.400 0.008 0.000 2.117 818 D HA -0.118 4.521 4.640 -0.002 0.000 0.197 818 D C -0.402 175.918 176.300 0.033 0.000 0.987 818 D CA 1.013 55.020 54.000 0.013 0.000 0.829 818 D CB 0.098 40.905 40.800 0.012 0.000 0.961 818 D HN 0.419 nan 8.370 nan 0.000 0.460 819 D N -1.070 119.362 120.400 0.053 0.000 2.256 819 D HA 0.308 4.947 4.640 -0.002 0.000 0.246 819 D C -1.676 174.722 176.300 0.164 0.000 1.042 819 D CA -0.673 53.373 54.000 0.078 0.000 0.841 819 D CB 1.321 42.152 40.800 0.051 0.000 1.223 819 D HN -0.027 nan 8.370 nan 0.000 0.470 820 Y N 2.637 122.926 120.300 -0.019 0.000 2.325 820 Y HA 0.331 4.879 4.550 -0.002 0.000 0.336 820 Y C -1.161 174.724 175.900 -0.025 0.000 1.130 820 Y CA -0.681 57.406 58.100 -0.021 0.000 1.264 820 Y CB 0.604 39.045 38.460 -0.032 0.000 1.128 820 Y HN 0.245 nan 8.280 nan 0.000 0.469 821 R N 3.950 124.298 120.500 -0.254 0.000 2.312 821 R HA 0.744 5.083 4.340 -0.002 0.000 0.311 821 R C -1.269 174.780 176.300 -0.418 0.000 1.004 821 R CA -0.734 55.208 56.100 -0.263 0.000 0.902 821 R CB 1.531 31.759 30.300 -0.121 0.000 1.073 821 R HN 0.384 nan 8.270 nan 0.000 0.457 822 V N 5.619 125.302 119.914 -0.385 0.000 2.495 822 V HA 0.417 4.535 4.120 -0.002 0.000 0.298 822 V C -0.258 175.713 176.094 -0.205 0.000 1.031 822 V CA -0.782 61.300 62.300 -0.362 0.000 0.871 822 V CB 1.745 33.322 31.823 -0.410 0.000 0.988 822 V HN 0.588 nan 8.190 nan 0.000 0.432 823 L N 3.941 125.068 121.223 -0.160 0.000 2.334 823 L HA 0.965 5.303 4.340 -0.002 0.000 0.276 823 L C 0.511 177.319 176.870 -0.103 0.000 1.014 823 L CA -0.176 54.593 54.840 -0.118 0.000 0.815 823 L CB 1.984 43.991 42.059 -0.086 0.000 1.268 823 L HN 0.822 nan 8.230 nan 0.000 0.428 824 G N -0.534 108.207 108.800 -0.098 0.000 2.682 824 G HA2 0.430 4.389 3.960 -0.002 0.000 0.290 824 G HA3 0.430 4.389 3.960 -0.002 0.000 0.290 824 G C -0.274 174.571 174.900 -0.091 0.000 1.425 824 G CA -0.217 44.837 45.100 -0.076 0.000 0.807 824 G HN 0.476 nan 8.290 nan 0.000 0.482 825 T N -1.114 113.347 114.554 -0.155 0.000 3.284 825 T HA 0.290 4.638 4.350 -0.002 0.000 0.249 825 T C -0.280 174.297 174.700 -0.205 0.000 0.944 825 T CA -0.371 61.540 62.100 -0.314 0.000 0.919 825 T CB -0.508 67.945 68.868 -0.691 0.000 1.089 825 T HN 0.285 nan 8.240 nan 0.000 0.576 826 D N 1.789 122.167 120.400 -0.036 0.000 2.525 826 D HA 0.458 5.097 4.640 -0.002 0.000 0.235 826 D C 0.997 177.364 176.300 0.111 0.000 1.137 826 D CA 1.487 55.479 54.000 -0.013 0.000 0.868 826 D CB 0.121 40.902 40.800 -0.031 0.000 1.180 826 D HN 0.756 nan 8.370 nan 0.000 0.465 827 G N 0.270 109.085 108.800 0.025 0.000 2.484 827 G HA2 -0.016 3.942 3.960 -0.002 0.000 0.685 827 G HA3 -0.016 3.942 3.960 -0.002 0.000 0.685 827 G C -0.885 174.110 174.900 0.158 0.000 1.294 827 G CA -1.223 43.940 45.100 0.105 0.000 0.879 827 G HN 0.231 nan 8.290 nan 0.000 0.646 828 F N 1.152 121.230 119.950 0.213 0.000 2.518 828 F HA 0.494 5.020 4.527 -0.002 0.000 0.359 828 F C 1.665 177.653 175.800 0.313 0.000 1.118 828 F CA 1.263 59.374 58.000 0.186 0.000 1.287 828 F CB 0.920 39.986 39.000 0.110 0.000 1.132 828 F HN 0.728 nan 8.300 nan 0.000 0.587 829 G N 2.433 111.517 108.800 0.474 0.000 2.572 829 G HA2 0.584 4.542 3.960 -0.002 0.000 0.261 829 G HA3 0.584 4.542 3.960 -0.002 0.000 0.261 829 G C -0.760 174.300 174.900 0.267 0.000 1.197 829 G CA -0.782 44.563 45.100 0.409 0.000 0.870 829 G HN 0.744 nan 8.290 nan 0.000 0.548 830 R N -1.141 119.475 120.500 0.192 0.000 2.734 830 R HA 0.499 4.838 4.340 -0.002 0.000 0.271 830 R C -1.185 175.141 176.300 0.042 0.000 1.021 830 R CA -0.809 55.328 56.100 0.062 0.000 0.893 830 R CB 0.842 31.111 30.300 -0.052 0.000 1.244 830 R HN 0.373 nan 8.270 nan 0.000 0.464 831 S N 0.799 116.503 115.700 0.008 0.000 2.523 831 S HA 0.396 4.864 4.470 -0.002 0.000 0.275 831 S C -0.575 174.018 174.600 -0.011 0.000 1.281 831 S CA -0.114 58.086 58.200 0.000 0.000 1.050 831 S CB 0.453 63.648 63.200 -0.009 0.000 0.937 831 S HN 0.580 nan 8.310 nan 0.000 0.492 832 D N -0.242 120.159 120.400 0.002 0.000 2.871 832 D HA 0.100 4.738 4.640 -0.002 0.000 0.330 832 D C -0.828 175.484 176.300 0.021 0.000 1.364 832 D CA -0.350 53.653 54.000 0.004 0.000 0.759 832 D CB 0.838 41.635 40.800 -0.005 0.000 1.325 832 D HN 0.539 nan 8.370 nan 0.000 0.452 833 S N -0.170 115.546 115.700 0.027 0.000 2.600 833 S HA 0.331 4.799 4.470 -0.002 0.000 0.265 833 S C 1.325 175.957 174.600 0.054 0.000 1.325 833 S CA -0.289 57.933 58.200 0.036 0.000 1.002 833 S CB 1.522 64.745 63.200 0.037 0.000 0.921 833 S HN 0.497 nan 8.310 nan 0.000 0.554 834 R N 1.186 121.720 120.500 0.058 0.000 2.105 834 R HA -0.134 4.205 4.340 -0.002 0.000 0.239 834 R C 2.355 178.699 176.300 0.073 0.000 1.135 834 R CA 2.002 58.142 56.100 0.067 0.000 0.967 834 R CB -0.432 29.915 30.300 0.079 0.000 0.861 834 R HN 0.903 nan 8.270 nan 0.000 0.442 835 E N 0.424 120.671 120.200 0.079 0.000 2.051 835 E HA -0.172 4.176 4.350 -0.002 0.000 0.192 835 E C 1.555 178.217 176.600 0.103 0.000 0.991 835 E CA 0.961 57.412 56.400 0.085 0.000 0.799 835 E CB -0.343 29.400 29.700 0.071 0.000 0.748 835 E HN 0.244 nan 8.360 nan 0.000 0.449 836 N N 1.010 119.763 118.700 0.089 0.000 2.166 836 N HA -0.077 4.662 4.740 -0.002 0.000 0.186 836 N C 1.954 177.553 175.510 0.149 0.000 1.019 836 N CA 0.822 53.936 53.050 0.107 0.000 0.856 836 N CB -0.194 38.329 38.487 0.060 0.000 0.993 836 N HN 0.204 nan 8.380 nan 0.000 0.426 837 L N 0.233 121.541 121.223 0.142 0.000 2.109 837 L HA -0.037 4.302 4.340 -0.002 0.000 0.207 837 L C 2.208 179.249 176.870 0.285 0.000 1.086 837 L CA 0.855 55.831 54.840 0.227 0.000 0.760 837 L CB -0.179 42.023 42.059 0.238 0.000 0.910 837 L HN 0.087 nan 8.230 nan 0.000 0.437 838 R N -1.411 119.189 120.500 0.167 0.000 2.189 838 R HA -0.166 4.172 4.340 -0.002 0.000 0.223 838 R C 2.148 178.524 176.300 0.127 0.000 1.092 838 R CA 0.850 57.004 56.100 0.089 0.000 0.989 838 R CB -0.164 30.103 30.300 -0.055 0.000 0.876 838 R HN 0.310 nan 8.270 nan 0.000 0.457 839 H N -1.184 117.944 119.070 0.096 0.000 2.355 839 H HA -0.044 4.510 4.556 -0.002 0.000 0.303 839 H C 1.882 177.237 175.328 0.046 0.000 1.061 839 H CA 1.742 57.889 56.048 0.166 0.000 1.368 839 H CB 0.031 29.903 29.762 0.183 0.000 1.412 839 H HN 0.243 nan 8.280 nan 0.000 0.523 840 H N -0.706 118.355 119.070 -0.014 0.000 2.319 840 H HA -0.139 4.416 4.556 -0.002 0.000 0.299 840 H C 1.175 176.269 175.328 -0.389 0.000 1.092 840 H CA 2.099 58.013 56.048 -0.223 0.000 1.302 840 H CB -0.519 29.057 29.762 -0.309 0.000 1.373 840 H HN 0.300 nan 8.280 nan 0.000 0.497 841 F N 1.167 120.956 119.950 -0.268 0.000 2.802 841 F HA 0.088 4.613 4.527 -0.002 0.000 0.300 841 F C 0.370 175.879 175.800 -0.485 0.000 1.168 841 F CA 0.867 58.655 58.000 -0.353 0.000 1.433 841 F CB -0.327 38.582 39.000 -0.151 0.000 1.115 841 F HN 0.260 nan 8.300 nan 0.000 0.582 842 E N -0.766 119.059 120.200 -0.626 0.000 2.252 842 E HA -0.191 4.158 4.350 -0.002 0.000 0.218 842 E C 0.530 176.707 176.600 -0.704 0.000 1.253 842 E CA 0.485 56.057 56.400 -1.379 0.000 0.705 842 E CB -1.821 27.079 29.700 -1.333 0.000 1.172 842 E HN 0.405 nan 8.360 nan 0.000 0.369 843 V N -3.076 116.650 119.914 -0.312 0.000 3.398 843 V HA 0.087 4.206 4.120 -0.002 0.000 0.298 843 V C 0.628 176.709 176.094 -0.021 0.000 1.496 843 V CA 0.228 62.458 62.300 -0.117 0.000 1.044 843 V CB 0.053 31.819 31.823 -0.095 0.000 0.880 843 V HN 0.302 nan 8.190 nan 0.000 0.443 844 D N 1.377 121.811 120.400 0.056 0.000 2.384 844 D HA 0.482 5.121 4.640 -0.002 0.000 0.244 844 D C 1.624 177.997 176.300 0.122 0.000 1.251 844 D CA 0.367 54.415 54.000 0.080 0.000 0.961 844 D CB 1.339 42.229 40.800 0.149 0.000 1.116 844 D HN 0.166 nan 8.370 nan 0.000 0.484 845 A N 0.606 123.493 122.820 0.111 0.000 1.927 845 A HA -0.264 4.055 4.320 -0.002 0.000 0.220 845 A C 2.170 179.666 177.584 -0.146 0.000 1.185 845 A CA 3.237 55.285 52.037 0.019 0.000 0.639 845 A CB -1.512 17.499 19.000 0.017 0.000 0.820 845 A HN 0.747 nan 8.150 nan 0.000 0.451 846 S N -1.935 113.603 115.700 -0.271 0.000 2.419 846 S HA -0.179 4.289 4.470 -0.002 0.000 0.233 846 S C 1.817 176.156 174.600 -0.435 0.000 1.016 846 S CA 1.503 59.283 58.200 -0.699 0.000 0.974 846 S CB -0.704 62.100 63.200 -0.660 0.000 0.786 846 S HN 0.584 nan 8.310 nan 0.000 0.492 847 Y N 1.194 121.403 120.300 -0.152 0.000 2.365 847 Y HA 0.189 4.738 4.550 -0.002 0.000 0.293 847 Y C 2.655 178.507 175.900 -0.079 0.000 1.119 847 Y CA 0.602 58.645 58.100 -0.096 0.000 1.203 847 Y CB -0.246 38.154 38.460 -0.100 0.000 1.026 847 Y HN 0.138 nan 8.280 nan 0.000 0.549 848 V N -1.303 118.650 119.914 0.065 0.000 2.427 848 V HA -0.231 3.887 4.120 -0.002 0.000 0.248 848 V C 2.114 178.204 176.094 -0.006 0.000 1.051 848 V CA 1.390 63.708 62.300 0.030 0.000 1.048 848 V CB -0.712 31.131 31.823 0.034 0.000 0.666 848 V HN 0.196 nan 8.190 nan 0.000 0.456 849 V N -0.354 119.527 119.914 -0.054 0.000 2.358 849 V HA -0.194 3.925 4.120 -0.002 0.000 0.246 849 V C 2.403 178.475 176.094 -0.037 0.000 1.047 849 V CA 1.823 64.095 62.300 -0.047 0.000 1.035 849 V CB -0.239 31.552 31.823 -0.054 0.000 0.658 849 V HN 0.412 nan 8.190 nan 0.000 0.452 850 V N 0.133 120.038 119.914 -0.014 0.000 2.515 850 V HA -0.177 3.941 4.120 -0.002 0.000 0.250 850 V C 2.583 178.672 176.094 -0.009 0.000 1.058 850 V CA 1.736 64.037 62.300 0.001 0.000 1.064 850 V CB -0.805 31.021 31.823 0.006 0.000 0.675 850 V HN 0.552 nan 8.190 nan 0.000 0.461 851 A N -0.112 122.709 122.820 0.002 0.000 1.929 851 A HA 0.020 4.339 4.320 -0.002 0.000 0.216 851 A C 2.396 179.971 177.584 -0.015 0.000 1.176 851 A CA 1.686 53.722 52.037 -0.002 0.000 0.628 851 A CB -0.563 18.438 19.000 0.001 0.000 0.816 851 A HN 0.522 nan 8.150 nan 0.000 0.444 852 A N -0.169 122.640 122.820 -0.019 0.000 1.898 852 A HA 0.031 4.350 4.320 -0.002 0.000 0.216 852 A C 2.116 179.673 177.584 -0.045 0.000 1.181 852 A CA 1.353 53.377 52.037 -0.020 0.000 0.620 852 A CB -0.552 18.439 19.000 -0.015 0.000 0.819 852 A HN 0.447 nan 8.150 nan 0.000 0.442 853 L N -0.702 120.470 121.223 -0.085 0.000 2.141 853 L HA -0.076 4.263 4.340 -0.002 0.000 0.209 853 L C 2.753 179.585 176.870 -0.063 0.000 1.094 853 L CA 0.866 55.635 54.840 -0.117 0.000 0.763 853 L CB -0.679 41.259 42.059 -0.201 0.000 0.908 853 L HN 0.493 nan 8.230 nan 0.000 0.437 854 G N -0.144 108.631 108.800 -0.042 0.000 2.422 854 G HA2 -0.207 3.751 3.960 -0.002 0.000 0.218 854 G HA3 -0.207 3.751 3.960 -0.002 0.000 0.218 854 G C 1.418 176.309 174.900 -0.016 0.000 1.146 854 G CA 0.464 45.550 45.100 -0.024 0.000 0.769 854 G HN 0.438 nan 8.290 nan 0.000 0.547 855 E N 0.115 120.307 120.200 -0.013 0.000 2.072 855 E HA 0.032 4.381 4.350 -0.002 0.000 0.190 855 E C 2.542 179.141 176.600 -0.001 0.000 0.982 855 E CA 0.332 56.731 56.400 -0.003 0.000 0.803 855 E CB -0.170 29.535 29.700 0.007 0.000 0.755 855 E HN 0.369 nan 8.360 nan 0.000 0.453 856 L N 0.945 122.164 121.223 -0.007 0.000 2.056 856 L HA -0.152 4.186 4.340 -0.002 0.000 0.207 856 L C 2.676 179.543 176.870 -0.004 0.000 1.078 856 L CA 0.943 55.781 54.840 -0.004 0.000 0.749 856 L CB -0.576 41.477 42.059 -0.010 0.000 0.901 856 L HN 0.138 nan 8.230 nan 0.000 0.433 857 A N 0.498 123.311 122.820 -0.012 0.000 1.883 857 A HA -0.260 4.059 4.320 -0.002 0.000 0.217 857 A C 2.328 179.911 177.584 -0.003 0.000 1.186 857 A CA 1.998 54.030 52.037 -0.008 0.000 0.624 857 A CB -0.430 18.563 19.000 -0.012 0.000 0.822 857 A HN 0.335 nan 8.150 nan 0.000 0.444 858 K N -0.487 119.911 120.400 -0.003 0.000 2.032 858 K HA -0.167 4.152 4.320 -0.002 0.000 0.209 858 K C 1.932 178.533 176.600 0.002 0.000 1.048 858 K CA 1.745 58.032 56.287 -0.000 0.000 0.927 858 K CB -0.218 32.282 32.500 -0.000 0.000 0.712 858 K HN 0.488 nan 8.250 nan 0.000 0.441 859 R N -0.165 120.337 120.500 0.004 0.000 2.339 859 R HA 0.044 4.382 4.340 -0.002 0.000 0.199 859 R C 1.007 177.311 176.300 0.007 0.000 1.018 859 R CA 0.578 56.682 56.100 0.006 0.000 1.036 859 R CB -0.004 30.302 30.300 0.009 0.000 0.899 859 R HN 0.373 nan 8.270 nan 0.000 0.473 860 G N 1.395 110.199 108.800 0.005 0.000 2.147 860 G HA2 -0.315 3.643 3.960 -0.002 0.000 0.244 860 G HA3 -0.315 3.643 3.960 -0.002 0.000 0.244 860 G C 0.473 175.378 174.900 0.009 0.000 1.005 860 G CA 0.441 45.544 45.100 0.007 0.000 0.713 860 G HN 0.490 nan 8.290 nan 0.000 0.515 861 E N -0.839 119.367 120.200 0.010 0.000 2.385 861 E HA 0.312 4.661 4.350 -0.002 0.000 0.194 861 E C 1.244 177.855 176.600 0.017 0.000 1.013 861 E CA 0.969 57.377 56.400 0.014 0.000 0.866 861 E CB 0.228 29.937 29.700 0.015 0.000 0.832 861 E HN 0.932 nan 8.360 nan 0.000 0.500 862 I N -2.221 118.357 120.570 0.013 0.000 2.913 862 I HA 0.339 4.507 4.170 -0.002 0.000 0.302 862 I C -1.669 174.455 176.117 0.011 0.000 1.246 862 I CA -1.456 59.854 61.300 0.017 0.000 1.010 862 I CB 2.167 40.174 38.000 0.012 0.000 1.259 862 I HN -0.327 nan 8.210 nan 0.000 0.434 863 D N 3.758 124.168 120.400 0.017 0.000 2.382 863 D HA 0.209 4.847 4.640 -0.002 0.000 0.245 863 D C 0.398 176.701 176.300 0.006 0.000 1.120 863 D CA -0.429 53.578 54.000 0.012 0.000 0.890 863 D CB 1.155 41.964 40.800 0.016 0.000 1.201 863 D HN 0.530 nan 8.370 nan 0.000 0.433 864 K N 0.930 121.331 120.400 0.002 0.000 2.283 864 K HA -0.099 4.220 4.320 -0.002 0.000 0.202 864 K C 1.512 178.111 176.600 -0.001 0.000 1.048 864 K CA 0.541 56.827 56.287 -0.002 0.000 0.948 864 K CB 0.133 32.632 32.500 -0.002 0.000 0.742 864 K HN 0.253 nan 8.250 nan 0.000 0.458 865 K N 0.939 121.341 120.400 0.003 0.000 2.283 865 K HA -0.055 4.264 4.320 -0.002 0.000 0.202 865 K C 1.885 178.490 176.600 0.007 0.000 1.048 865 K CA 0.652 56.941 56.287 0.003 0.000 0.948 865 K CB 0.051 32.554 32.500 0.005 0.000 0.742 865 K HN -0.025 nan 8.250 nan 0.000 0.458 866 V N 0.729 120.652 119.914 0.015 0.000 2.548 866 V HA -0.176 3.943 4.120 -0.002 0.000 0.249 866 V C 2.295 178.393 176.094 0.007 0.000 1.055 866 V CA 1.111 63.431 62.300 0.033 0.000 1.065 866 V CB -0.077 31.777 31.823 0.052 0.000 0.681 866 V HN -0.013 nan 8.190 nan 0.000 0.462 867 V N 0.348 120.253 119.914 -0.016 0.000 2.323 867 V HA -0.160 3.959 4.120 -0.002 0.000 0.244 867 V C 2.704 178.790 176.094 -0.014 0.000 1.041 867 V CA 1.758 64.041 62.300 -0.028 0.000 1.025 867 V CB -1.175 30.633 31.823 -0.025 0.000 0.656 867 V HN 0.525 nan 8.190 nan 0.000 0.451 868 A N 0.043 122.858 122.820 -0.009 0.000 1.978 868 A HA -0.250 4.069 4.320 -0.002 0.000 0.220 868 A C 1.941 179.515 177.584 -0.018 0.000 1.170 868 A CA 2.064 54.095 52.037 -0.009 0.000 0.636 868 A CB -0.558 18.438 19.000 -0.006 0.000 0.810 868 A HN 0.544 nan 8.150 nan 0.000 0.448 869 D N -0.235 120.153 120.400 -0.020 0.000 2.234 869 D HA 0.075 4.714 4.640 -0.002 0.000 0.205 869 D C 2.136 178.382 176.300 -0.091 0.000 0.962 869 D CA 1.211 55.187 54.000 -0.040 0.000 0.855 869 D CB -0.272 40.515 40.800 -0.022 0.000 0.951 869 D HN 0.433 nan 8.370 nan 0.000 0.500 870 A N 0.589 123.362 122.820 -0.079 0.000 1.929 870 A HA -0.054 4.264 4.320 -0.002 0.000 0.216 870 A C 2.283 179.789 177.584 -0.130 0.000 1.176 870 A CA 0.521 52.448 52.037 -0.184 0.000 0.628 870 A CB -0.522 18.478 19.000 0.000 0.000 0.816 870 A HN 0.154 nan 8.150 nan 0.000 0.444 871 I N -0.366 120.195 120.570 -0.014 0.000 2.286 871 I HA -0.261 3.908 4.170 -0.002 0.000 0.248 871 I C 2.876 178.992 176.117 -0.001 0.000 1.115 871 I CA 1.056 62.367 61.300 0.019 0.000 1.392 871 I CB -0.176 37.826 38.000 0.003 0.000 1.065 871 I HN 0.370 nan 8.210 nan 0.000 0.418 872 A N 0.370 123.166 122.820 -0.040 0.000 1.898 872 A HA -0.184 4.134 4.320 -0.002 0.000 0.214 872 A C 2.390 179.930 177.584 -0.074 0.000 1.183 872 A CA 1.222 53.236 52.037 -0.037 0.000 0.622 872 A CB -0.399 18.578 19.000 -0.039 0.000 0.824 872 A HN 0.278 nan 8.150 nan 0.000 0.444 873 K N -1.137 119.154 120.400 -0.180 0.000 2.057 873 K HA -0.138 4.181 4.320 -0.002 0.000 0.207 873 K C 0.779 177.228 176.600 -0.252 0.000 1.049 873 K CA 1.482 57.593 56.287 -0.294 0.000 0.931 873 K CB -0.263 31.922 32.500 -0.526 0.000 0.714 873 K HN 0.383 nan 8.250 nan 0.000 0.440 874 F N 1.222 121.173 119.950 0.003 0.000 2.773 874 F HA 0.120 4.646 4.527 -0.002 0.000 0.304 874 F C 0.547 176.353 175.800 0.010 0.000 1.129 874 F CA -0.027 57.972 58.000 -0.002 0.000 1.378 874 F CB -0.903 38.080 39.000 -0.028 0.000 1.095 874 F HN 0.194 nan 8.300 nan 0.000 0.565 875 N N 1.097 119.879 118.700 0.137 0.000 2.740 875 N HA -0.260 4.479 4.740 -0.002 0.000 0.248 875 N C -0.554 175.076 175.510 0.201 0.000 1.062 875 N CA 0.218 53.337 53.050 0.115 0.000 0.704 875 N CB -1.513 37.015 38.487 0.069 0.000 0.968 875 N HN 0.350 nan 8.380 nan 0.000 0.547 876 I N 0.274 120.931 120.570 0.146 0.000 2.342 876 I HA 0.103 4.272 4.170 -0.002 0.000 0.291 876 I C 0.439 176.604 176.117 0.081 0.000 1.010 876 I CA -0.583 60.769 61.300 0.087 0.000 1.308 876 I CB 0.839 38.751 38.000 -0.147 0.000 1.400 876 I HN 0.156 nan 8.210 nan 0.000 0.488 877 D N 6.175 126.640 120.400 0.109 0.000 2.422 877 D HA 0.241 4.880 4.640 -0.002 0.000 0.227 877 D C 0.807 177.144 176.300 0.062 0.000 1.190 877 D CA -0.186 53.862 54.000 0.079 0.000 0.905 877 D CB 1.443 42.295 40.800 0.087 0.000 1.034 877 D HN 0.616 nan 8.370 nan 0.000 0.507 878 A N 3.635 126.482 122.820 0.044 0.000 2.248 878 A HA -0.061 4.258 4.320 -0.002 0.000 0.210 878 A C 0.975 178.574 177.584 0.026 0.000 1.174 878 A CA 0.672 52.731 52.037 0.037 0.000 0.750 878 A CB 0.188 19.203 19.000 0.025 0.000 0.780 878 A HN 0.481 nan 8.150 nan 0.000 0.478 879 D N -0.443 119.972 120.400 0.024 0.000 2.513 879 D HA 0.112 4.751 4.640 -0.002 0.000 0.222 879 D C -0.218 176.090 176.300 0.012 0.000 1.210 879 D CA -0.005 54.004 54.000 0.015 0.000 0.825 879 D CB 0.410 41.219 40.800 0.014 0.000 1.037 879 D HN 0.589 nan 8.370 nan 0.000 0.506 880 K N 0.153 120.561 120.400 0.014 0.000 2.154 880 K HA 0.362 4.681 4.320 -0.002 0.000 0.264 880 K C 0.347 176.939 176.600 -0.013 0.000 1.008 880 K CA -0.716 55.575 56.287 0.008 0.000 0.937 880 K CB 1.218 33.728 32.500 0.016 0.000 1.002 880 K HN -0.244 nan 8.250 nan 0.000 0.469 881 V N 2.140 122.048 119.914 -0.010 0.000 2.928 881 V HA -0.092 4.027 4.120 -0.002 0.000 0.307 881 V C 0.163 176.224 176.094 -0.055 0.000 1.105 881 V CA -0.049 62.240 62.300 -0.019 0.000 1.223 881 V CB 0.369 32.192 31.823 0.001 0.000 0.930 881 V HN 0.941 nan 8.190 nan 0.000 0.499 882 N N 6.776 125.444 118.700 -0.052 0.000 2.411 882 N HA 0.071 4.810 4.740 -0.002 0.000 0.261 882 N C -1.707 173.745 175.510 -0.098 0.000 1.248 882 N CA -0.983 52.019 53.050 -0.080 0.000 0.885 882 N CB 1.425 39.880 38.487 -0.053 0.000 1.062 882 N HN 0.422 nan 8.380 nan 0.000 0.471 883 P HA -0.164 nan 4.420 nan 0.000 0.218 883 P C 1.196 178.481 177.300 -0.026 0.000 1.146 883 P CA 1.156 64.113 63.100 -0.239 0.000 0.813 883 P CB 0.123 31.545 31.700 -0.465 0.000 0.778 884 R N -0.045 120.442 120.500 -0.022 0.000 2.120 884 R HA -0.068 4.270 4.340 -0.002 0.000 0.234 884 R C 1.717 178.019 176.300 0.004 0.000 1.123 884 R CA 1.192 57.285 56.100 -0.011 0.000 0.975 884 R CB -0.559 29.717 30.300 -0.040 0.000 0.866 884 R HN 0.218 nan 8.270 nan 0.000 0.446 885 L N 0.132 121.364 121.223 0.015 0.000 2.554 885 L HA 0.300 4.639 4.340 -0.002 0.000 0.225 885 L C 1.241 178.156 176.870 0.074 0.000 1.104 885 L CA -0.148 54.716 54.840 0.041 0.000 0.866 885 L CB -0.056 42.013 42.059 0.018 0.000 1.047 885 L HN 0.122 nan 8.230 nan 0.000 0.468 886 A N 0.000 122.866 122.820 0.076 0.000 2.254 886 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 886 A CA 0.000 52.096 52.037 0.099 0.000 0.836 886 A CB 0.000 19.089 19.000 0.148 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486