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 2iea_1_B 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 MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.130 176.117 0.021 0.000 1.063 56 I CA 0.000 61.310 61.300 0.017 0.000 1.566 56 I CB 0.000 38.015 38.000 0.025 0.000 1.214 57 S N 1.634 117.347 115.700 0.022 0.000 2.745 57 S HA 0.639 5.113 4.470 0.007 0.000 0.292 57 S C -0.093 174.540 174.600 0.054 0.000 1.133 57 S CA -0.837 57.379 58.200 0.026 0.000 0.998 57 S CB 0.877 64.082 63.200 0.008 0.000 1.087 57 S HN 0.760 nan 8.310 nan 0.000 0.551 58 N N 0.341 119.078 118.700 0.062 0.000 2.374 58 N HA 0.003 4.747 4.740 0.007 0.000 0.241 58 N C -0.714 174.886 175.510 0.150 0.000 1.262 58 N CA 0.221 53.336 53.050 0.107 0.000 0.880 58 N CB -0.229 38.315 38.487 0.095 0.000 1.105 58 N HN 0.715 nan 8.380 nan 0.000 0.438 59 Y N 2.087 122.421 120.300 0.057 0.000 3.028 59 Y HA 0.193 4.747 4.550 0.007 0.000 0.381 59 Y C 0.366 176.362 175.900 0.159 0.000 1.139 59 Y CA -0.181 57.953 58.100 0.057 0.000 2.013 59 Y CB -0.819 37.714 38.460 0.122 0.000 2.146 59 Y HN 0.324 nan 8.280 nan 0.000 0.412 60 I N -2.765 117.829 120.570 0.040 0.000 3.279 60 I HA 0.506 4.680 4.170 0.007 0.000 0.315 60 I C -0.681 175.399 176.117 -0.062 0.000 1.187 60 I CA -1.647 59.714 61.300 0.102 0.000 0.953 60 I CB 1.361 39.474 38.000 0.187 0.000 1.279 60 I HN -0.214 nan 8.210 nan 0.000 0.465 61 N N 1.830 120.524 118.700 -0.009 0.000 2.412 61 N HA 0.074 4.818 4.740 0.007 0.000 0.254 61 N C 0.795 176.282 175.510 -0.038 0.000 1.232 61 N CA 0.155 53.170 53.050 -0.058 0.000 0.880 61 N CB 0.844 39.337 38.487 0.010 0.000 1.076 61 N HN 0.681 nan 8.380 nan 0.000 0.458 62 T N 1.397 115.908 114.554 -0.072 0.000 2.821 62 T HA 0.044 4.398 4.350 0.007 0.000 0.267 62 T C 1.021 175.708 174.700 -0.022 0.000 1.046 62 T CA 0.801 62.869 62.100 -0.053 0.000 1.139 62 T CB 0.017 68.837 68.868 -0.080 0.000 0.871 62 T HN 0.421 nan 8.240 nan 0.000 0.454 63 I N 3.957 124.518 120.570 -0.016 0.000 2.291 63 I HA 0.243 4.418 4.170 0.007 0.000 0.290 63 I C -2.138 174.002 176.117 0.038 0.000 1.050 63 I CA -2.520 58.786 61.300 0.010 0.000 1.245 63 I CB 1.182 39.189 38.000 0.012 0.000 1.405 63 I HN -0.000 nan 8.210 nan 0.000 0.478 64 P HA -0.027 nan 4.420 nan 0.000 0.272 64 P C 0.930 178.274 177.300 0.073 0.000 1.223 64 P CA -0.085 63.053 63.100 0.063 0.000 0.784 64 P CB 1.831 33.563 31.700 0.055 0.000 0.923 65 V N 2.293 122.259 119.914 0.088 0.000 2.324 65 V HA -0.224 3.900 4.120 0.007 0.000 0.250 65 V C 2.135 178.277 176.094 0.080 0.000 1.060 65 V CA 2.506 64.861 62.300 0.093 0.000 1.042 65 V CB -1.096 30.789 31.823 0.103 0.000 0.650 65 V HN 0.737 nan 8.190 nan 0.000 0.450 66 E N -0.224 120.018 120.200 0.070 0.000 2.533 66 E HA -0.212 4.142 4.350 0.007 0.000 0.201 66 E C 1.511 178.145 176.600 0.057 0.000 1.097 66 E CA 1.295 57.731 56.400 0.060 0.000 0.887 66 E CB 0.001 29.733 29.700 0.052 0.000 0.855 66 E HN 0.844 nan 8.360 nan 0.000 0.540 67 E N 0.496 120.733 120.200 0.061 0.000 2.606 67 E HA 0.006 4.360 4.350 0.007 0.000 0.224 67 E C 0.007 176.649 176.600 0.071 0.000 0.930 67 E CA -0.189 56.245 56.400 0.057 0.000 1.125 67 E CB 0.481 30.208 29.700 0.045 0.000 1.123 67 E HN 0.384 nan 8.360 nan 0.000 0.522 68 Q N 2.137 121.989 119.800 0.088 0.000 2.293 68 Q HA 0.371 4.715 4.340 0.007 0.000 0.251 68 Q C -2.192 173.890 176.000 0.136 0.000 0.930 68 Q CA -1.937 53.938 55.803 0.120 0.000 0.893 68 Q CB 0.700 29.521 28.738 0.137 0.000 1.215 68 Q HN -0.106 nan 8.270 nan 0.000 0.425 69 P HA -0.026 nan 4.420 nan 0.000 0.274 69 P C -0.703 176.690 177.300 0.155 0.000 1.246 69 P CA -0.305 62.899 63.100 0.173 0.000 0.795 69 P CB 0.727 32.574 31.700 0.244 0.000 1.006 70 E N 0.715 120.965 120.200 0.084 0.000 2.384 70 E HA -0.045 4.309 4.350 0.007 0.000 0.266 70 E C -0.928 175.636 176.600 -0.060 0.000 1.012 70 E CA -0.411 56.011 56.400 0.036 0.000 0.901 70 E CB 0.131 29.837 29.700 0.010 0.000 0.967 70 E HN 0.330 nan 8.360 nan 0.000 0.435 71 Y N 7.182 127.360 120.300 -0.204 0.000 2.496 71 Y HA 0.091 4.645 4.550 0.007 0.000 0.334 71 Y C -1.519 174.130 175.900 -0.418 0.000 1.080 71 Y CA -1.752 56.079 58.100 -0.450 0.000 1.355 71 Y CB 1.014 39.310 38.460 -0.272 0.000 1.193 71 Y HN 0.510 nan 8.280 nan 0.000 0.523 72 P HA 0.079 nan 4.420 nan 0.000 0.231 72 P C 0.428 177.453 177.300 -0.458 0.000 1.168 72 P CA 0.597 63.306 63.100 -0.652 0.000 0.779 72 P CB 0.403 31.723 31.700 -0.633 0.000 0.844 73 G N 0.689 109.038 108.800 -0.751 0.000 2.522 73 G HA2 0.135 4.099 3.960 0.007 0.000 0.304 73 G HA3 0.135 4.099 3.960 0.007 0.000 0.304 73 G C -0.428 174.629 174.900 0.262 0.000 1.210 73 G CA -0.424 44.708 45.100 0.053 0.000 0.960 73 G HN 0.037 nan 8.290 nan 0.000 0.497 74 N N 0.934 119.787 118.700 0.255 0.000 2.555 74 N HA 0.092 4.836 4.740 0.007 0.000 0.244 74 N C 1.701 177.219 175.510 0.014 0.000 1.114 74 N CA -0.257 52.817 53.050 0.040 0.000 0.963 74 N CB 0.532 38.902 38.487 -0.194 0.000 1.276 74 N HN 0.414 nan 8.380 nan 0.000 0.510 75 L N 1.950 123.235 121.223 0.103 0.000 1.997 75 L HA -0.274 4.070 4.340 0.007 0.000 0.216 75 L C 2.352 179.212 176.870 -0.017 0.000 1.074 75 L CA 1.443 56.304 54.840 0.036 0.000 0.763 75 L CB -0.277 41.767 42.059 -0.024 0.000 0.890 75 L HN 0.538 nan 8.230 nan 0.000 0.434 76 E N 0.341 120.520 120.200 -0.035 0.000 2.077 76 E HA -0.242 4.112 4.350 0.007 0.000 0.193 76 E C 2.265 178.815 176.600 -0.084 0.000 0.989 76 E CA 1.308 57.683 56.400 -0.041 0.000 0.800 76 E CB -0.739 28.940 29.700 -0.035 0.000 0.746 76 E HN 0.530 nan 8.360 nan 0.000 0.452 77 L N 0.795 121.910 121.223 -0.179 0.000 2.056 77 L HA -0.138 4.207 4.340 0.007 0.000 0.207 77 L C 2.545 179.245 176.870 -0.284 0.000 1.078 77 L CA 1.424 56.087 54.840 -0.296 0.000 0.749 77 L CB -0.182 41.548 42.059 -0.547 0.000 0.901 77 L HN 0.121 nan 8.230 nan 0.000 0.433 78 E N -0.145 119.904 120.200 -0.251 0.000 2.110 78 E HA -0.275 4.079 4.350 0.007 0.000 0.193 78 E C 2.091 178.705 176.600 0.023 0.000 0.988 78 E CA 1.435 57.794 56.400 -0.068 0.000 0.804 78 E CB -0.068 29.687 29.700 0.091 0.000 0.745 78 E HN 0.558 nan 8.360 nan 0.000 0.458 79 R N 1.025 121.543 120.500 0.030 0.000 2.092 79 R HA -0.056 4.288 4.340 0.007 0.000 0.231 79 R C 2.167 178.530 176.300 0.106 0.000 1.119 79 R CA 1.088 57.242 56.100 0.090 0.000 0.970 79 R CB -0.288 30.067 30.300 0.091 0.000 0.864 79 R HN -0.016 nan 8.270 nan 0.000 0.440 80 R N 0.681 121.215 120.500 0.057 0.000 2.073 80 R HA 0.001 4.345 4.340 0.007 0.000 0.234 80 R C 2.357 178.762 176.300 0.175 0.000 1.134 80 R CA 1.935 58.095 56.100 0.100 0.000 0.952 80 R CB -0.368 29.950 30.300 0.031 0.000 0.850 80 R HN 0.282 nan 8.270 nan 0.000 0.433 81 I N -0.026 120.578 120.570 0.057 0.000 2.252 81 I HA -0.277 3.897 4.170 0.007 0.000 0.245 81 I C 2.724 178.972 176.117 0.219 0.000 1.102 81 I CA 1.137 62.509 61.300 0.120 0.000 1.385 81 I CB -0.284 37.702 38.000 -0.024 0.000 1.064 81 I HN 0.157 nan 8.210 nan 0.000 0.414 82 R N 0.819 121.417 120.500 0.163 0.000 2.091 82 R HA -0.160 4.184 4.340 0.007 0.000 0.238 82 R C 2.414 178.807 176.300 0.155 0.000 1.136 82 R CA 1.928 58.127 56.100 0.165 0.000 0.959 82 R CB -0.100 30.287 30.300 0.146 0.000 0.856 82 R HN 0.206 nan 8.270 nan 0.000 0.437 83 S N 0.239 116.038 115.700 0.166 0.000 2.382 83 S HA -0.125 4.349 4.470 0.007 0.000 0.228 83 S C 1.913 176.639 174.600 0.210 0.000 1.027 83 S CA 1.114 59.403 58.200 0.149 0.000 0.991 83 S CB -0.139 63.195 63.200 0.223 0.000 0.823 83 S HN 0.571 nan 8.310 nan 0.000 0.469 84 A N 1.307 124.288 122.820 0.269 0.000 1.930 84 A HA 0.015 4.339 4.320 0.007 0.000 0.217 84 A C 2.043 179.812 177.584 0.309 0.000 1.175 84 A CA 0.986 53.188 52.037 0.275 0.000 0.627 84 A CB -0.594 18.585 19.000 0.299 0.000 0.815 84 A HN 0.482 nan 8.150 nan 0.000 0.443 85 I N -1.012 119.727 120.570 0.282 0.000 2.202 85 I HA -0.249 3.925 4.170 0.007 0.000 0.242 85 I C 2.753 179.038 176.117 0.280 0.000 1.091 85 I CA 1.286 62.743 61.300 0.261 0.000 1.368 85 I CB -0.358 37.793 38.000 0.252 0.000 1.058 85 I HN 0.269 nan 8.210 nan 0.000 0.410 86 R N 0.049 120.701 120.500 0.253 0.000 2.103 86 R HA -0.244 4.100 4.340 0.007 0.000 0.242 86 R C 2.243 178.658 176.300 0.192 0.000 1.142 86 R CA 2.041 58.254 56.100 0.188 0.000 0.960 86 R CB -0.499 29.715 30.300 -0.143 0.000 0.858 86 R HN 0.571 nan 8.270 nan 0.000 0.439 87 W N 2.000 123.330 121.300 0.051 0.000 2.353 87 W HA -0.186 4.478 4.660 0.007 0.000 0.319 87 W C 1.234 177.797 176.519 0.073 0.000 1.207 87 W CA 1.363 58.745 57.345 0.061 0.000 1.291 87 W CB -0.371 29.128 29.460 0.065 0.000 1.159 87 W HN 0.111 nan 8.180 nan 0.000 0.478 88 N N 0.930 119.785 118.700 0.258 0.000 2.205 88 N HA -0.165 4.579 4.740 0.007 0.000 0.186 88 N C 1.802 177.313 175.510 0.002 0.000 1.015 88 N CA 2.052 55.209 53.050 0.179 0.000 0.862 88 N CB -0.970 37.667 38.487 0.251 0.000 0.986 88 N HN 0.216 nan 8.380 nan 0.000 0.429 89 A N 0.847 123.659 122.820 -0.015 0.000 1.873 89 A HA -0.071 4.253 4.320 0.007 0.000 0.215 89 A C 2.206 179.700 177.584 -0.149 0.000 1.186 89 A CA 0.984 52.957 52.037 -0.106 0.000 0.616 89 A CB -0.560 18.413 19.000 -0.045 0.000 0.823 89 A HN 0.105 nan 8.150 nan 0.000 0.442 90 I N -0.274 120.211 120.570 -0.141 0.000 2.226 90 I HA -0.247 3.927 4.170 0.007 0.000 0.245 90 I C 2.580 178.509 176.117 -0.312 0.000 1.100 90 I CA 1.270 62.447 61.300 -0.205 0.000 1.374 90 I CB -0.420 37.438 38.000 -0.238 0.000 1.057 90 I HN 0.240 nan 8.210 nan 0.000 0.413 91 M N -0.560 118.774 119.600 -0.443 0.000 2.086 91 M HA -0.178 4.306 4.480 0.007 0.000 0.261 91 M C 2.363 178.506 176.300 -0.262 0.000 1.067 91 M CA 1.848 56.870 55.300 -0.464 0.000 1.116 91 M CB -1.850 30.380 32.600 -0.616 0.000 1.348 91 M HN 0.223 nan 8.290 nan 0.000 0.407 92 T N 1.102 115.579 114.554 -0.128 0.000 2.635 92 T HA -0.117 4.237 4.350 0.007 0.000 0.267 92 T C 2.060 176.624 174.700 -0.226 0.000 1.040 92 T CA 1.733 63.751 62.100 -0.138 0.000 1.156 92 T CB -0.465 68.209 68.868 -0.323 0.000 0.863 92 T HN 0.173 nan 8.240 nan 0.000 0.430 93 V N 1.387 121.132 119.914 -0.282 0.000 2.427 93 V HA -0.061 4.063 4.120 0.007 0.000 0.248 93 V C 2.530 178.595 176.094 -0.048 0.000 1.051 93 V CA 1.039 63.253 62.300 -0.144 0.000 1.048 93 V CB -0.600 31.159 31.823 -0.108 0.000 0.666 93 V HN 0.378 nan 8.190 nan 0.000 0.456 94 L N 0.050 121.209 121.223 -0.108 0.000 2.056 94 L HA -0.082 4.262 4.340 0.007 0.000 0.207 94 L C 2.773 179.597 176.870 -0.076 0.000 1.078 94 L CA 1.833 56.614 54.840 -0.097 0.000 0.749 94 L CB -1.066 40.898 42.059 -0.158 0.000 0.901 94 L HN 0.369 nan 8.230 nan 0.000 0.433 95 R N -0.368 120.076 120.500 -0.094 0.000 2.115 95 R HA -0.084 4.260 4.340 0.007 0.000 0.230 95 R C 2.154 178.452 176.300 -0.003 0.000 1.111 95 R CA 1.235 57.297 56.100 -0.065 0.000 0.976 95 R CB -0.461 29.791 30.300 -0.080 0.000 0.870 95 R HN 0.308 nan 8.270 nan 0.000 0.445 96 A N 1.757 124.605 122.820 0.046 0.000 1.873 96 A HA -0.171 4.153 4.320 0.007 0.000 0.215 96 A C 2.393 180.007 177.584 0.049 0.000 1.186 96 A CA 1.878 53.973 52.037 0.096 0.000 0.616 96 A CB -0.576 18.576 19.000 0.253 0.000 0.823 96 A HN 0.436 nan 8.150 nan 0.000 0.442 97 S N -0.125 115.596 115.700 0.035 0.000 2.399 97 S HA -0.164 4.310 4.470 0.007 0.000 0.231 97 S C 1.845 176.445 174.600 0.000 0.000 1.022 97 S CA 1.344 59.553 58.200 0.014 0.000 0.983 97 S CB -0.349 62.854 63.200 0.005 0.000 0.803 97 S HN 0.490 nan 8.310 nan 0.000 0.480 98 K N 1.581 121.976 120.400 -0.008 0.000 2.103 98 K HA -0.054 4.270 4.320 0.007 0.000 0.207 98 K C 2.061 178.656 176.600 -0.008 0.000 1.048 98 K CA 1.318 57.596 56.287 -0.014 0.000 0.930 98 K CB -0.282 32.203 32.500 -0.026 0.000 0.716 98 K HN 0.507 nan 8.250 nan 0.000 0.444 99 K N 0.686 121.084 120.400 -0.003 0.000 2.281 99 K HA -0.166 4.158 4.320 0.007 0.000 0.203 99 K C 0.263 176.861 176.600 -0.003 0.000 1.046 99 K CA 0.877 57.163 56.287 -0.002 0.000 0.938 99 K CB -0.192 32.310 32.500 0.003 0.000 0.737 99 K HN 0.130 nan 8.250 nan 0.000 0.458 100 D N 0.029 120.428 120.400 -0.002 0.000 2.697 100 D HA -0.174 4.470 4.640 0.007 0.000 0.238 100 D C -0.531 175.767 176.300 -0.004 0.000 1.152 100 D CA 0.495 54.493 54.000 -0.003 0.000 0.666 100 D CB -1.042 39.755 40.800 -0.004 0.000 1.037 100 D HN 0.224 nan 8.370 nan 0.000 0.423 101 L N 0.628 121.849 121.223 -0.005 0.000 3.168 101 L HA 0.204 4.548 4.340 0.007 0.000 0.277 101 L C 0.557 177.421 176.870 -0.011 0.000 1.245 101 L CA -0.474 54.361 54.840 -0.008 0.000 1.035 101 L CB 0.338 42.392 42.059 -0.008 0.000 1.399 101 L HN -0.014 nan 8.230 nan 0.000 0.580 102 E N 0.199 120.394 120.200 -0.009 0.000 2.360 102 E HA -0.243 4.111 4.350 0.007 0.000 0.238 102 E C 1.020 177.609 176.600 -0.019 0.000 1.186 102 E CA 0.536 56.929 56.400 -0.011 0.000 0.719 102 E CB -1.857 27.838 29.700 -0.009 0.000 1.236 102 E HN 0.537 nan 8.360 nan 0.000 0.386 103 L N -0.974 120.235 121.223 -0.023 0.000 2.109 103 L HA -0.027 4.317 4.340 0.007 0.000 0.207 103 L C 1.592 178.431 176.870 -0.052 0.000 1.086 103 L CA 1.156 55.966 54.840 -0.050 0.000 0.760 103 L CB -0.464 41.564 42.059 -0.052 0.000 0.910 103 L HN 0.532 nan 8.230 nan 0.000 0.437 104 G N -0.688 108.103 108.800 -0.016 0.000 2.725 104 G HA2 0.197 4.161 3.960 0.007 0.000 0.220 104 G HA3 0.197 4.161 3.960 0.007 0.000 0.220 104 G C -0.055 174.874 174.900 0.048 0.000 1.357 104 G CA -0.444 44.646 45.100 -0.017 0.000 0.866 104 G HN 0.852 nan 8.290 nan 0.000 0.548 105 G N -1.542 107.265 108.800 0.011 0.000 2.435 105 G HA2 0.542 4.506 3.960 0.007 0.000 0.603 105 G HA3 0.542 4.506 3.960 0.007 0.000 0.603 105 G C -0.907 174.002 174.900 0.015 0.000 1.496 105 G CA 0.228 45.443 45.100 0.192 0.000 0.896 105 G HN 1.414 nan 8.290 nan 0.000 0.657 106 H N 1.420 120.641 119.070 0.253 0.000 2.567 106 H HA 0.693 5.253 4.556 0.007 0.000 0.345 106 H C 0.799 176.245 175.328 0.196 0.000 1.169 106 H CA -0.656 55.531 56.048 0.231 0.000 1.227 106 H CB 2.033 31.988 29.762 0.321 0.000 1.607 106 H HN 0.490 nan 8.280 nan 0.000 0.534 107 M N -0.007 119.776 119.600 0.305 0.000 2.227 107 M HA 0.143 4.628 4.480 0.007 0.000 0.226 107 M C 2.189 178.655 176.300 0.277 0.000 1.423 107 M CA 0.457 55.904 55.300 0.246 0.000 1.055 107 M CB 0.322 33.013 32.600 0.150 0.000 1.572 107 M HN 0.608 nan 8.290 nan 0.000 0.567 108 A N 0.310 123.285 122.820 0.259 0.000 1.940 108 A HA -0.177 4.148 4.320 0.007 0.000 0.219 108 A C 2.210 179.955 177.584 0.268 0.000 1.176 108 A CA 2.519 54.704 52.037 0.246 0.000 0.631 108 A CB -0.840 18.289 19.000 0.214 0.000 0.814 108 A HN 0.449 nan 8.150 nan 0.000 0.446 109 S N -1.667 114.223 115.700 0.316 0.000 2.355 109 S HA -0.141 4.333 4.470 0.007 0.000 0.222 109 S C 1.745 176.510 174.600 0.275 0.000 1.031 109 S CA 1.524 59.902 58.200 0.297 0.000 0.993 109 S CB -0.489 62.931 63.200 0.367 0.000 0.859 109 S HN 0.606 nan 8.310 nan 0.000 0.453 110 F N 2.420 122.463 119.950 0.155 0.000 2.216 110 F HA 0.004 4.535 4.527 0.007 0.000 0.300 110 F C 2.373 178.277 175.800 0.173 0.000 1.085 110 F CA 1.394 59.474 58.000 0.133 0.000 1.326 110 F CB -0.540 38.504 39.000 0.073 0.000 1.027 110 F HN 0.211 nan 8.300 nan 0.000 0.497 111 Q N 0.183 120.033 119.800 0.083 0.000 2.124 111 Q HA -0.153 4.191 4.340 0.007 0.000 0.202 111 Q C 2.562 178.634 176.000 0.119 0.000 0.977 111 Q CA 1.767 57.608 55.803 0.064 0.000 0.850 111 Q CB -0.928 27.959 28.738 0.247 0.000 0.901 111 Q HN 0.587 nan 8.270 nan 0.000 0.429 112 S N -0.260 115.526 115.700 0.144 0.000 2.436 112 S HA -0.038 4.436 4.470 0.007 0.000 0.228 112 S C 1.869 176.428 174.600 -0.068 0.000 1.014 112 S CA 1.018 59.294 58.200 0.125 0.000 0.950 112 S CB -0.075 63.205 63.200 0.133 0.000 0.784 112 S HN 0.322 nan 8.310 nan 0.000 0.504 113 S N 0.418 116.103 115.700 -0.025 0.000 2.539 113 S HA 0.606 5.080 4.470 0.007 0.000 0.221 113 S C 1.783 176.398 174.600 0.025 0.000 0.987 113 S CA 0.141 58.353 58.200 0.020 0.000 0.929 113 S CB 0.026 63.374 63.200 0.247 0.000 0.832 113 S HN 0.612 nan 8.310 nan 0.000 0.492 114 A N 2.647 125.289 122.820 -0.295 0.000 1.903 114 A HA -0.135 4.189 4.320 0.007 0.000 0.219 114 A C 2.313 179.876 177.584 -0.035 0.000 1.191 114 A CA 2.529 54.276 52.037 -0.482 0.000 0.638 114 A CB -1.833 16.724 19.000 -0.739 0.000 0.823 114 A HN 0.558 nan 8.150 nan 0.000 0.451 115 T N 0.099 114.634 114.554 -0.031 0.000 2.867 115 T HA -0.045 4.309 4.350 0.007 0.000 0.268 115 T C 1.766 176.494 174.700 0.046 0.000 1.057 115 T CA 1.359 63.483 62.100 0.040 0.000 1.136 115 T CB -0.404 68.480 68.868 0.026 0.000 0.874 115 T HN 0.450 nan 8.240 nan 0.000 0.466 116 I N -0.189 120.379 120.570 -0.004 0.000 2.179 116 I HA -0.182 3.992 4.170 0.007 0.000 0.242 116 I C 2.133 178.190 176.117 -0.099 0.000 1.088 116 I CA 1.609 62.886 61.300 -0.039 0.000 1.357 116 I CB -0.417 37.563 38.000 -0.032 0.000 1.051 116 I HN 0.230 nan 8.210 nan 0.000 0.409 117 Y N 0.622 120.963 120.300 0.067 0.000 2.224 117 Y HA -0.297 4.257 4.550 0.007 0.000 0.289 117 Y C 2.359 178.358 175.900 0.166 0.000 1.146 117 Y CA 1.748 59.894 58.100 0.078 0.000 1.182 117 Y CB -0.417 38.260 38.460 0.362 0.000 0.983 117 Y HN 0.200 nan 8.280 nan 0.000 0.524 118 D N -0.294 120.326 120.400 0.367 0.000 2.104 118 D HA -0.177 4.467 4.640 0.007 0.000 0.194 118 D C 2.152 178.588 176.300 0.227 0.000 0.994 118 D CA 1.435 55.630 54.000 0.325 0.000 0.830 118 D CB -0.213 40.733 40.800 0.243 0.000 0.959 118 D HN 0.073 nan 8.370 nan 0.000 0.452 119 V N -0.235 119.775 119.914 0.160 0.000 2.343 119 V HA -0.293 3.831 4.120 0.007 0.000 0.247 119 V C 2.718 178.862 176.094 0.083 0.000 1.051 119 V CA 1.536 63.986 62.300 0.249 0.000 1.036 119 V CB -0.450 31.525 31.823 0.254 0.000 0.654 119 V HN 0.453 nan 8.190 nan 0.000 0.451 120 C N -0.852 118.223 119.300 -0.374 0.000 2.446 120 C HA -0.109 4.355 4.460 0.007 0.000 0.277 120 C C 2.499 177.035 174.990 -0.757 0.000 1.275 120 C CA 0.747 59.216 59.018 -0.915 0.000 1.727 120 C CB -1.216 25.302 27.740 -2.037 0.000 2.010 120 C HN 0.554 nan 8.230 nan 0.000 0.486 121 F N 1.345 121.085 119.950 -0.350 0.000 2.234 121 F HA -0.095 4.436 4.527 0.007 0.000 0.299 121 F C 2.373 178.112 175.800 -0.103 0.000 1.087 121 F CA 1.176 59.150 58.000 -0.043 0.000 1.340 121 F CB -0.289 38.782 39.000 0.118 0.000 1.031 121 F HN 0.305 nan 8.300 nan 0.000 0.500 122 N N -1.468 117.238 118.700 0.009 0.000 2.376 122 N HA -0.063 4.681 4.740 0.007 0.000 0.177 122 N C 1.024 176.098 175.510 -0.727 0.000 1.024 122 N CA 1.051 53.906 53.050 -0.324 0.000 0.893 122 N CB -0.086 38.206 38.487 -0.325 0.000 0.980 122 N HN 0.394 nan 8.380 nan 0.000 0.439 123 H N -2.701 116.320 119.070 -0.082 0.000 3.535 123 H HA 0.227 4.787 4.556 0.007 0.000 0.260 123 H C 0.446 175.393 175.328 -0.635 0.000 1.173 123 H CA -0.041 55.819 56.048 -0.314 0.000 1.168 123 H CB 0.556 30.140 29.762 -0.297 0.000 1.568 123 H HN 0.098 nan 8.280 nan 0.000 0.602 124 F N -0.368 119.527 119.950 -0.091 0.000 2.421 124 F HA 0.235 4.766 4.527 0.007 0.000 0.270 124 F C 0.782 176.626 175.800 0.073 0.000 0.894 124 F CA -0.332 57.631 58.000 -0.062 0.000 1.128 124 F CB 0.034 38.910 39.000 -0.206 0.000 1.011 124 F HN -0.160 nan 8.300 nan 0.000 0.788 125 F N 3.574 123.560 119.950 0.059 0.000 2.569 125 F HA 0.060 4.591 4.527 0.007 0.000 0.395 125 F C 0.628 176.475 175.800 0.077 0.000 1.028 125 F CA -0.132 57.872 58.000 0.008 0.000 1.158 125 F CB 0.021 38.904 39.000 -0.196 0.000 1.023 125 F HN -0.236 nan 8.300 nan 0.000 0.547 126 R N 3.243 123.938 120.500 0.325 0.000 2.254 126 R HA 0.553 4.897 4.340 0.007 0.000 0.318 126 R C -0.033 176.373 176.300 0.177 0.000 1.031 126 R CA -0.677 55.562 56.100 0.231 0.000 0.905 126 R CB 1.272 31.706 30.300 0.224 0.000 1.050 126 R HN 0.654 nan 8.270 nan 0.000 0.456 127 A N 2.808 125.720 122.820 0.153 0.000 2.287 127 A HA 0.271 4.595 4.320 0.007 0.000 0.273 127 A C 0.140 177.765 177.584 0.069 0.000 1.091 127 A CA -0.607 51.494 52.037 0.106 0.000 0.817 127 A CB 0.411 19.461 19.000 0.084 0.000 1.069 127 A HN 0.831 nan 8.150 nan 0.000 0.492 128 R N 0.331 120.858 120.500 0.045 0.000 2.583 128 R HA 0.089 4.433 4.340 0.007 0.000 0.274 128 R C -0.127 176.163 176.300 -0.017 0.000 0.998 128 R CA 1.204 57.312 56.100 0.014 0.000 1.081 128 R CB -0.119 30.191 30.300 0.016 0.000 0.940 128 R HN 0.982 nan 8.270 nan 0.000 0.413 129 N N -0.107 118.544 118.700 -0.082 0.000 3.157 129 N HA 0.052 4.796 4.740 0.007 0.000 0.291 129 N C -0.189 175.257 175.510 -0.106 0.000 1.515 129 N CA -0.934 52.022 53.050 -0.158 0.000 0.807 129 N CB 0.747 38.910 38.487 -0.540 0.000 1.672 129 N HN 0.611 nan 8.380 nan 0.000 0.592 130 E N -1.149 118.993 120.200 -0.096 0.000 2.160 130 E HA -0.224 4.130 4.350 0.007 0.000 0.195 130 E C 0.773 177.346 176.600 -0.045 0.000 0.991 130 E CA 1.424 57.799 56.400 -0.042 0.000 0.810 130 E CB 0.115 29.806 29.700 -0.015 0.000 0.742 130 E HN 0.495 nan 8.360 nan 0.000 0.466 131 Q N 0.452 120.202 119.800 -0.085 0.000 2.204 131 Q HA 0.048 4.392 4.340 0.007 0.000 0.198 131 Q C 0.195 176.168 176.000 -0.044 0.000 0.946 131 Q CA 1.198 56.966 55.803 -0.058 0.000 0.859 131 Q CB 0.253 28.952 28.738 -0.065 0.000 0.946 131 Q HN 0.442 nan 8.270 nan 0.000 0.474 132 D N -3.338 117.027 120.400 -0.059 0.000 2.692 132 D HA 0.305 4.949 4.640 0.007 0.000 0.303 132 D C 0.498 176.789 176.300 -0.014 0.000 1.278 132 D CA -0.365 53.621 54.000 -0.024 0.000 0.852 132 D CB 0.015 40.805 40.800 -0.016 0.000 1.375 132 D HN -0.088 nan 8.370 nan 0.000 0.453 133 G N -1.248 107.564 108.800 0.020 0.000 2.776 133 G HA2 0.423 4.387 3.960 0.007 0.000 0.209 133 G HA3 0.423 4.387 3.960 0.007 0.000 0.209 133 G C 0.995 175.923 174.900 0.047 0.000 1.145 133 G CA 0.474 45.596 45.100 0.037 0.000 0.791 133 G HN 1.141 nan 8.290 nan 0.000 0.530 134 G N -0.020 108.803 108.800 0.038 0.000 2.693 134 G HA2 -0.208 3.756 3.960 0.007 0.000 0.226 134 G HA3 -0.208 3.756 3.960 0.007 0.000 0.226 134 G C -0.786 174.180 174.900 0.109 0.000 1.354 134 G CA -0.284 44.856 45.100 0.067 0.000 0.873 134 G HN 0.244 nan 8.290 nan 0.000 0.562 135 D N 0.477 120.966 120.400 0.149 0.000 2.350 135 D HA 0.422 5.067 4.640 0.007 0.000 0.249 135 D C 0.734 177.132 176.300 0.164 0.000 1.119 135 D CA 0.137 54.253 54.000 0.194 0.000 0.886 135 D CB 0.896 41.907 40.800 0.352 0.000 1.195 135 D HN 0.467 nan 8.370 nan 0.000 0.437 136 L N 2.210 123.549 121.223 0.194 0.000 2.270 136 L HA 0.253 4.597 4.340 0.007 0.000 0.286 136 L C -0.330 176.678 176.870 0.230 0.000 1.059 136 L CA -0.774 54.220 54.840 0.257 0.000 0.839 136 L CB 0.759 42.947 42.059 0.214 0.000 1.221 136 L HN -0.047 nan 8.230 nan 0.000 0.431 137 V N 3.432 123.423 119.914 0.128 0.000 2.348 137 V HA 0.153 4.277 4.120 0.007 0.000 0.270 137 V C -0.373 175.741 176.094 0.033 0.000 1.037 137 V CA -0.452 61.782 62.300 -0.109 0.000 0.872 137 V CB 0.676 31.885 31.823 -1.024 0.000 1.002 137 V HN 0.394 nan 8.190 nan 0.000 0.464 138 Y N 5.074 125.405 120.300 0.052 0.000 2.632 138 Y HA 0.399 4.953 4.550 0.007 0.000 0.336 138 Y C 0.389 176.412 175.900 0.205 0.000 1.237 138 Y CA -1.047 57.159 58.100 0.177 0.000 1.595 138 Y CB -0.515 37.970 38.460 0.041 0.000 1.508 138 Y HN 0.499 nan 8.280 nan 0.000 0.480 139 F N 0.938 121.070 119.950 0.304 0.000 2.572 139 F HA -0.007 4.524 4.527 0.007 0.000 0.370 139 F C 1.074 176.979 175.800 0.175 0.000 1.103 139 F CA -0.102 58.032 58.000 0.223 0.000 1.286 139 F CB 0.451 39.536 39.000 0.142 0.000 1.105 139 F HN 0.334 nan 8.300 nan 0.000 0.583 140 Q N 2.502 122.534 119.800 0.387 0.000 2.274 140 Q HA 0.087 4.431 4.340 0.007 0.000 0.280 140 Q C 1.345 177.361 176.000 0.028 0.000 1.047 140 Q CA 0.298 56.214 55.803 0.188 0.000 0.907 140 Q CB 1.111 29.948 28.738 0.166 0.000 1.171 140 Q HN 0.963 nan 8.270 nan 0.000 0.381 141 G N 3.837 112.625 108.800 -0.021 0.000 2.553 141 G HA2 -0.338 3.626 3.960 0.007 0.000 0.218 141 G HA3 -0.338 3.626 3.960 0.007 0.000 0.218 141 G C 0.956 175.877 174.900 0.035 0.000 1.195 141 G CA 1.223 46.264 45.100 -0.099 0.000 0.779 141 G HN 0.985 nan 8.290 nan 0.000 0.577 142 H N 0.678 119.728 119.070 -0.033 0.000 2.553 142 H HA 0.110 4.670 4.556 0.007 0.000 0.269 142 H C 1.804 177.213 175.328 0.135 0.000 1.011 142 H CA 0.804 56.916 56.048 0.107 0.000 1.150 142 H CB -0.382 29.193 29.762 -0.312 0.000 1.339 142 H HN 0.561 nan 8.280 nan 0.000 0.604 143 I N -0.642 119.860 120.570 -0.114 0.000 3.904 143 I HA 0.153 4.327 4.170 0.007 0.000 0.333 143 I C 1.895 177.881 176.117 -0.218 0.000 1.361 143 I CA -0.031 61.237 61.300 -0.053 0.000 1.116 143 I CB 0.002 38.048 38.000 0.077 0.000 1.028 143 I HN 0.075 nan 8.210 nan 0.000 0.398 144 S N 1.268 116.882 115.700 -0.143 0.000 2.402 144 S HA -0.052 4.422 4.470 0.007 0.000 0.233 144 S C -0.359 173.976 174.600 -0.442 0.000 1.030 144 S CA 1.141 59.181 58.200 -0.268 0.000 1.003 144 S CB -2.098 60.970 63.200 -0.220 0.000 0.813 144 S HN 0.367 nan 8.310 nan 0.000 0.477 145 P HA 0.022 nan 4.420 nan 0.000 0.218 145 P C 1.826 178.822 177.300 -0.507 0.000 1.148 145 P CA 1.613 64.521 63.100 -0.319 0.000 0.822 145 P CB -0.679 30.832 31.700 -0.315 0.000 0.784 146 G N -0.707 107.492 108.800 -1.002 0.000 2.422 146 G HA2 -0.175 3.790 3.960 0.007 0.000 0.218 146 G HA3 -0.175 3.790 3.960 0.007 0.000 0.218 146 G C 1.551 175.964 174.900 -0.812 0.000 1.140 146 G CA 0.441 44.514 45.100 -1.713 0.000 0.775 146 G HN 0.158 nan 8.290 nan 0.000 0.545 147 V N -0.245 119.297 119.914 -0.619 0.000 2.379 147 V HA -0.124 4.000 4.120 0.007 0.000 0.245 147 V C 2.320 178.289 176.094 -0.209 0.000 1.044 147 V CA 1.216 63.273 62.300 -0.406 0.000 1.036 147 V CB -0.737 30.818 31.823 -0.447 0.000 0.664 147 V HN 0.512 nan 8.190 nan 0.000 0.453 148 Y N 0.363 120.565 120.300 -0.164 0.000 2.181 148 Y HA -0.219 4.335 4.550 0.007 0.000 0.288 148 Y C 2.612 178.418 175.900 -0.157 0.000 1.146 148 Y CA 0.784 58.782 58.100 -0.171 0.000 1.164 148 Y CB -0.365 37.990 38.460 -0.174 0.000 0.982 148 Y HN 0.256 nan 8.280 nan 0.000 0.515 149 A N 0.647 123.448 122.820 -0.032 0.000 1.877 149 A HA -0.254 4.070 4.320 0.007 0.000 0.216 149 A C 2.190 179.815 177.584 0.068 0.000 1.186 149 A CA 1.936 53.974 52.037 0.002 0.000 0.620 149 A CB -0.754 18.225 19.000 -0.036 0.000 0.822 149 A HN 0.451 nan 8.150 nan 0.000 0.443 150 R N -0.379 120.095 120.500 -0.043 0.000 2.075 150 R HA -0.057 4.287 4.340 0.007 0.000 0.232 150 R C 2.270 178.523 176.300 -0.078 0.000 1.126 150 R CA 1.460 57.504 56.100 -0.093 0.000 0.963 150 R CB -0.454 29.659 30.300 -0.311 0.000 0.858 150 R HN 0.402 nan 8.270 nan 0.000 0.435 151 A N 0.684 123.481 122.820 -0.038 0.000 1.908 151 A HA -0.205 4.119 4.320 0.007 0.000 0.218 151 A C 1.983 179.568 177.584 0.002 0.000 1.181 151 A CA 1.409 53.454 52.037 0.013 0.000 0.627 151 A CB -0.834 18.260 19.000 0.156 0.000 0.818 151 A HN 0.578 nan 8.150 nan 0.000 0.445 152 F N 0.039 119.920 119.950 -0.114 0.000 2.102 152 F HA -0.120 4.412 4.527 0.007 0.000 0.298 152 F C 1.754 177.505 175.800 -0.081 0.000 1.105 152 F CA 1.692 59.609 58.000 -0.138 0.000 1.239 152 F CB -0.416 38.464 39.000 -0.200 0.000 0.991 152 F HN 0.164 nan 8.300 nan 0.000 0.474 153 L N 0.804 121.940 121.223 -0.146 0.000 2.191 153 L HA -0.144 4.200 4.340 0.007 0.000 0.212 153 L C 1.984 178.758 176.870 -0.159 0.000 1.103 153 L CA 1.759 56.496 54.840 -0.172 0.000 0.769 153 L CB -0.795 41.302 42.059 0.062 0.000 0.908 153 L HN 0.243 nan 8.230 nan 0.000 0.438 154 E N -1.099 118.998 120.200 -0.172 0.000 2.502 154 E HA 0.138 4.492 4.350 0.007 0.000 0.194 154 E C 1.286 177.808 176.600 -0.129 0.000 1.062 154 E CA 0.520 56.800 56.400 -0.199 0.000 0.867 154 E CB -0.032 29.523 29.700 -0.242 0.000 0.888 154 E HN 0.522 nan 8.360 nan 0.000 0.510 155 G N 1.998 110.685 108.800 -0.189 0.000 2.136 155 G HA2 -0.337 3.627 3.960 0.007 0.000 0.242 155 G HA3 -0.337 3.627 3.960 0.007 0.000 0.242 155 G C 0.839 175.644 174.900 -0.158 0.000 0.989 155 G CA 0.371 45.363 45.100 -0.180 0.000 0.682 155 G HN 0.248 nan 8.290 nan 0.000 0.522 156 R N -1.008 119.401 120.500 -0.151 0.000 2.254 156 R HA 0.370 4.714 4.340 0.007 0.000 0.195 156 R C 0.884 177.138 176.300 -0.076 0.000 0.957 156 R CA 0.483 56.520 56.100 -0.106 0.000 1.024 156 R CB 0.340 30.598 30.300 -0.069 0.000 0.952 156 R HN 0.428 nan 8.270 nan 0.000 0.484 157 L N 0.672 121.858 121.223 -0.062 0.000 2.370 157 L HA 0.340 4.684 4.340 0.007 0.000 0.266 157 L C 0.247 177.155 176.870 0.063 0.000 1.002 157 L CA -0.915 53.887 54.840 -0.063 0.000 0.818 157 L CB 2.224 44.209 42.059 -0.123 0.000 1.325 157 L HN 0.000 nan 8.230 nan 0.000 0.418 158 T N -2.828 111.734 114.554 0.013 0.000 2.881 158 T HA 0.119 4.473 4.350 0.007 0.000 0.278 158 T C 0.605 175.322 174.700 0.027 0.000 0.982 158 T CA -0.498 61.647 62.100 0.075 0.000 0.989 158 T CB 1.782 70.650 68.868 0.000 0.000 1.058 158 T HN 0.678 nan 8.240 nan 0.000 0.529 159 Q N 0.002 119.834 119.800 0.054 0.000 2.124 159 Q HA -0.187 4.157 4.340 0.007 0.000 0.202 159 Q C 1.988 177.877 176.000 -0.184 0.000 0.977 159 Q CA 1.839 57.500 55.803 -0.237 0.000 0.850 159 Q CB -0.169 28.554 28.738 -0.024 0.000 0.901 159 Q HN 0.958 nan 8.270 nan 0.000 0.429 160 E N 0.005 120.160 120.200 -0.076 0.000 2.110 160 E HA -0.231 4.123 4.350 0.007 0.000 0.193 160 E C 1.926 178.468 176.600 -0.098 0.000 0.988 160 E CA 1.149 57.513 56.400 -0.060 0.000 0.804 160 E CB 0.079 29.757 29.700 -0.038 0.000 0.745 160 E HN 0.466 nan 8.360 nan 0.000 0.458 161 Q N 0.126 119.841 119.800 -0.141 0.000 2.079 161 Q HA -0.109 4.235 4.340 0.007 0.000 0.200 161 Q C 2.459 178.323 176.000 -0.226 0.000 0.974 161 Q CA 1.235 56.926 55.803 -0.187 0.000 0.840 161 Q CB -0.011 28.591 28.738 -0.228 0.000 0.898 161 Q HN 0.369 nan 8.270 nan 0.000 0.430 162 L N 0.783 121.817 121.223 -0.315 0.000 2.083 162 L HA -0.197 4.147 4.340 0.007 0.000 0.209 162 L C 1.497 178.300 176.870 -0.111 0.000 1.083 162 L CA 0.801 55.437 54.840 -0.341 0.000 0.752 162 L CB -0.337 41.266 42.059 -0.759 0.000 0.899 162 L HN 0.199 nan 8.230 nan 0.000 0.433 163 D N -0.193 120.166 120.400 -0.070 0.000 2.348 163 D HA -0.085 4.559 4.640 0.007 0.000 0.216 163 D C 0.986 177.299 176.300 0.022 0.000 0.970 163 D CA 0.739 54.759 54.000 0.034 0.000 0.889 163 D CB -0.065 40.760 40.800 0.042 0.000 0.912 163 D HN 0.269 nan 8.370 nan 0.000 0.524 164 N N 0.304 118.996 118.700 -0.013 0.000 2.328 164 N HA 0.004 4.748 4.740 0.007 0.000 0.247 164 N C -0.322 175.177 175.510 -0.017 0.000 1.165 164 N CA -0.351 52.688 53.050 -0.018 0.000 0.873 164 N CB 0.065 38.524 38.487 -0.047 0.000 1.125 164 N HN 0.069 nan 8.380 nan 0.000 0.513 165 F N 2.306 122.176 119.950 -0.132 0.000 2.578 165 F HA 0.063 4.594 4.527 0.006 0.000 0.381 165 F C 1.232 176.984 175.800 -0.081 0.000 1.069 165 F CA 0.225 58.143 58.000 -0.136 0.000 1.231 165 F CB 0.261 39.205 39.000 -0.095 0.000 1.086 165 F HN 0.154 nan 8.300 nan 0.000 0.564 166 R N 2.990 123.081 120.500 -0.681 0.000 3.878 166 R HA -0.215 4.129 4.340 0.007 0.000 0.330 166 R C -0.709 175.437 176.300 -0.257 0.000 1.186 166 R CA 0.984 56.746 56.100 -0.564 0.000 0.885 166 R CB -1.835 28.035 30.300 -0.718 0.000 1.377 166 R HN 0.802 nan 8.270 nan 0.000 0.523 167 Q N 0.195 119.892 119.800 -0.171 0.000 3.255 167 Q HA 0.085 4.429 4.340 0.007 0.000 0.231 167 Q C 0.141 176.095 176.000 -0.078 0.000 0.935 167 Q CA -0.229 55.518 55.803 -0.092 0.000 0.714 167 Q CB 1.130 29.844 28.738 -0.041 0.000 1.345 167 Q HN 0.409 nan 8.270 nan 0.000 0.463 168 E N -0.440 119.706 120.200 -0.090 0.000 2.489 168 E HA 0.037 4.391 4.350 0.007 0.000 0.204 168 E C 1.145 177.696 176.600 -0.082 0.000 1.006 168 E CA 0.037 56.394 56.400 -0.073 0.000 0.936 168 E CB 0.392 30.055 29.700 -0.062 0.000 1.002 168 E HN 0.157 nan 8.360 nan 0.000 0.488 169 V N 1.874 121.704 119.914 -0.140 0.000 2.380 169 V HA -0.245 3.879 4.120 0.007 0.000 0.251 169 V C 1.674 177.607 176.094 -0.268 0.000 1.063 169 V CA 1.822 63.983 62.300 -0.232 0.000 1.055 169 V CB -0.713 30.895 31.823 -0.357 0.000 0.657 169 V HN 0.480 nan 8.190 nan 0.000 0.455 170 H N -0.615 118.437 119.070 -0.030 0.000 2.536 170 H HA 0.350 4.910 4.556 0.007 0.000 0.276 170 H C 1.433 176.743 175.328 -0.029 0.000 1.019 170 H CA 0.862 56.894 56.048 -0.027 0.000 1.159 170 H CB 0.191 29.936 29.762 -0.028 0.000 1.373 170 H HN 0.537 nan 8.280 nan 0.000 0.584 171 G N 1.474 110.295 108.800 0.035 0.000 3.185 171 G HA2 -0.288 3.676 3.960 0.007 0.000 0.242 171 G HA3 -0.288 3.676 3.960 0.007 0.000 0.242 171 G C 0.558 175.449 174.900 -0.015 0.000 1.754 171 G CA -0.133 44.973 45.100 0.010 0.000 1.225 171 G HN 0.424 nan 8.290 nan 0.000 0.539 172 N N 2.871 121.561 118.700 -0.017 0.000 2.962 172 N HA 0.211 4.955 4.740 0.007 0.000 0.287 172 N C 0.680 176.147 175.510 -0.072 0.000 1.467 172 N CA 0.672 53.693 53.050 -0.047 0.000 1.061 172 N CB -0.754 37.710 38.487 -0.039 0.000 1.416 172 N HN 0.833 nan 8.380 nan 0.000 0.576 173 G N -0.125 108.625 108.800 -0.083 0.000 3.013 173 G HA2 0.665 4.629 3.960 0.007 0.000 0.278 173 G HA3 0.665 4.629 3.960 0.007 0.000 0.278 173 G C -1.037 173.761 174.900 -0.171 0.000 1.353 173 G CA -0.623 44.410 45.100 -0.112 0.000 1.043 173 G HN 0.153 nan 8.290 nan 0.000 0.523 174 L N 0.507 121.604 121.223 -0.209 0.000 2.365 174 L HA 0.429 4.773 4.340 0.007 0.000 0.273 174 L C 0.253 177.044 176.870 -0.132 0.000 1.000 174 L CA -0.784 53.884 54.840 -0.287 0.000 0.819 174 L CB 2.225 43.889 42.059 -0.657 0.000 1.284 174 L HN 0.413 nan 8.230 nan 0.000 0.418 175 S N 0.143 115.892 115.700 0.082 0.000 2.579 175 S HA 0.016 4.490 4.470 0.007 0.000 0.275 175 S C 1.258 175.893 174.600 0.059 0.000 1.345 175 S CA -0.152 58.125 58.200 0.128 0.000 1.031 175 S CB 1.413 64.799 63.200 0.310 0.000 0.892 175 S HN 0.845 nan 8.310 nan 0.000 0.529 176 S N 1.387 116.964 115.700 -0.205 0.000 2.382 176 S HA -0.069 4.405 4.470 0.007 0.000 0.228 176 S C 0.166 174.395 174.600 -0.619 0.000 1.027 176 S CA 0.910 58.756 58.200 -0.591 0.000 0.991 176 S CB -0.479 62.206 63.200 -0.858 0.000 0.823 176 S HN 0.739 nan 8.310 nan 0.000 0.469 177 Y N 0.102 120.355 120.300 -0.079 0.000 2.705 177 Y HA 0.535 5.089 4.550 0.007 0.000 0.332 177 Y C -2.990 172.275 175.900 -1.058 0.000 1.157 177 Y CA -3.179 54.635 58.100 -0.477 0.000 1.091 177 Y CB 0.518 38.731 38.460 -0.413 0.000 1.301 177 Y HN -0.211 nan 8.280 nan 0.000 0.488 178 P HA 0.057 nan 4.420 nan 0.000 0.263 178 P C -1.255 175.580 177.300 -0.775 0.000 1.276 178 P CA 0.748 62.880 63.100 -1.613 0.000 0.986 178 P CB -0.131 30.927 31.700 -1.069 0.000 1.105 179 H N 4.352 123.326 119.070 -0.158 0.000 2.953 179 H HA 0.195 4.755 4.556 0.007 0.000 0.290 179 H C -1.916 173.516 175.328 0.173 0.000 1.113 179 H CA -2.064 54.019 56.048 0.059 0.000 1.454 179 H CB 1.298 31.106 29.762 0.076 0.000 1.525 179 H HN 0.216 nan 8.280 nan 0.000 0.505 180 P HA -0.211 nan 4.420 nan 0.000 0.216 180 P C 1.823 179.215 177.300 0.153 0.000 1.153 180 P CA 1.362 64.576 63.100 0.190 0.000 0.858 180 P CB 0.636 32.387 31.700 0.085 0.000 0.789 181 K N -0.018 120.454 120.400 0.121 0.000 2.152 181 K HA -0.120 4.204 4.320 0.007 0.000 0.206 181 K C 1.787 178.432 176.600 0.075 0.000 1.048 181 K CA 1.526 57.853 56.287 0.065 0.000 0.933 181 K CB -1.026 31.475 32.500 0.001 0.000 0.721 181 K HN 0.112 nan 8.250 nan 0.000 0.447 182 L N -1.015 120.285 121.223 0.128 0.000 2.249 182 L HA 0.196 4.540 4.340 0.007 0.000 0.207 182 L C 0.877 177.834 176.870 0.145 0.000 1.090 182 L CA 0.375 55.288 54.840 0.121 0.000 0.802 182 L CB 0.025 42.173 42.059 0.149 0.000 0.947 182 L HN 0.099 nan 8.230 nan 0.000 0.453 183 M N 0.900 120.634 119.600 0.223 0.000 2.389 183 M HA 0.219 4.703 4.480 0.007 0.000 0.206 183 M C -1.806 174.615 176.300 0.202 0.000 0.976 183 M CA -1.236 54.195 55.300 0.217 0.000 0.648 183 M CB 1.575 34.378 32.600 0.337 0.000 1.474 183 M HN -0.232 nan 8.290 nan 0.000 0.398 184 P HA -0.178 nan 4.420 nan 0.000 0.222 184 P C 0.269 177.612 177.300 0.071 0.000 1.142 184 P CA 1.531 64.685 63.100 0.091 0.000 0.788 184 P CB 0.252 31.991 31.700 0.064 0.000 0.767 185 E N -3.275 116.975 120.200 0.083 0.000 2.526 185 E HA 0.130 4.484 4.350 0.007 0.000 0.208 185 E C 0.951 177.599 176.600 0.080 0.000 0.997 185 E CA -0.250 56.187 56.400 0.061 0.000 0.961 185 E CB 0.097 29.830 29.700 0.054 0.000 1.030 185 E HN 0.216 nan 8.360 nan 0.000 0.483 186 F N -0.402 119.488 119.950 -0.099 0.000 2.534 186 F HA 0.257 4.788 4.527 0.007 0.000 0.274 186 F C -0.095 175.546 175.800 -0.265 0.000 0.917 186 F CA -0.138 57.715 58.000 -0.246 0.000 1.145 186 F CB 0.287 39.060 39.000 -0.379 0.000 1.145 186 F HN -0.144 nan 8.300 nan 0.000 0.746 187 W N 1.875 123.239 121.300 0.107 0.000 2.161 187 W HA 0.350 5.015 4.660 0.007 0.000 0.344 187 W C 1.058 177.456 176.519 -0.203 0.000 1.262 187 W CA -0.164 57.144 57.345 -0.061 0.000 1.270 187 W CB 0.731 30.234 29.460 0.071 0.000 1.126 187 W HN 0.119 nan 8.180 nan 0.000 0.598 188 Q N 0.386 120.152 119.800 -0.057 0.000 2.527 188 Q HA 0.191 4.535 4.340 0.007 0.000 0.252 188 Q C -0.566 174.924 176.000 -0.851 0.000 0.827 188 Q CA 0.256 55.683 55.803 -0.626 0.000 0.979 188 Q CB 0.745 28.787 28.738 -1.160 0.000 1.248 188 Q HN 0.370 nan 8.270 nan 0.000 0.578 189 F N 2.650 122.574 119.950 -0.043 0.000 2.499 189 F HA 0.391 4.922 4.527 0.007 0.000 0.333 189 F C -2.327 173.447 175.800 -0.043 0.000 1.138 189 F CA -2.617 55.296 58.000 -0.145 0.000 0.945 189 F CB 1.571 40.200 39.000 -0.618 0.000 1.181 189 F HN -0.160 nan 8.300 nan 0.000 0.435 190 P HA 0.078 nan 4.420 nan 0.000 0.269 190 P C 0.397 177.788 177.300 0.152 0.000 1.252 190 P CA -0.025 63.149 63.100 0.122 0.000 0.780 190 P CB 1.071 32.894 31.700 0.204 0.000 0.829 191 T N -1.574 113.021 114.554 0.069 0.000 2.975 191 T HA 0.043 4.397 4.350 0.007 0.000 0.257 191 T C 1.459 176.166 174.700 0.011 0.000 1.003 191 T CA 0.121 62.279 62.100 0.097 0.000 0.932 191 T CB -0.565 68.389 68.868 0.144 0.000 1.087 191 T HN 0.025 nan 8.240 nan 0.000 0.512 192 V N 1.503 121.364 119.914 -0.089 0.000 2.469 192 V HA -0.050 4.074 4.120 0.007 0.000 0.251 192 V C 1.783 177.814 176.094 -0.105 0.000 1.064 192 V CA 1.354 63.527 62.300 -0.212 0.000 1.066 192 V CB -1.066 30.455 31.823 -0.503 0.000 0.667 192 V HN 0.559 nan 8.190 nan 0.000 0.461 193 S N 1.259 116.961 115.700 0.004 0.000 2.498 193 S HA 0.368 4.842 4.470 0.007 0.000 0.314 193 S C 0.187 174.803 174.600 0.027 0.000 1.141 193 S CA -0.425 57.791 58.200 0.028 0.000 1.087 193 S CB -0.579 62.673 63.200 0.088 0.000 1.178 193 S HN 0.382 nan 8.310 nan 0.000 0.533 194 M N 3.912 123.514 119.600 0.002 0.000 2.252 194 M HA 0.203 4.687 4.480 0.007 0.000 0.329 194 M C 1.695 178.005 176.300 0.018 0.000 1.101 194 M CA 1.425 56.731 55.300 0.011 0.000 1.117 194 M CB 0.030 32.630 32.600 0.000 0.000 1.563 194 M HN 0.921 nan 8.290 nan 0.000 0.445 195 G N 1.031 109.839 108.800 0.014 0.000 2.284 195 G HA2 -0.246 3.718 3.960 0.007 0.000 0.230 195 G HA3 -0.246 3.718 3.960 0.007 0.000 0.230 195 G C 0.432 175.350 174.900 0.030 0.000 1.021 195 G CA 0.118 45.227 45.100 0.016 0.000 0.619 195 G HN 0.560 nan 8.290 nan 0.000 0.510 196 L N 1.838 123.090 121.223 0.049 0.000 2.131 196 L HA 0.333 4.678 4.340 0.007 0.000 0.206 196 L C 2.998 179.917 176.870 0.082 0.000 1.087 196 L CA 2.642 57.527 54.840 0.075 0.000 0.767 196 L CB -1.121 41.001 42.059 0.105 0.000 0.917 196 L HN 0.381 nan 8.230 nan 0.000 0.441 197 G N 0.648 109.495 108.800 0.078 0.000 2.446 197 G HA2 -0.197 3.767 3.960 0.007 0.000 0.217 197 G HA3 -0.197 3.767 3.960 0.007 0.000 0.217 197 G C -0.592 174.225 174.900 -0.138 0.000 1.168 197 G CA 0.873 46.016 45.100 0.072 0.000 0.771 197 G HN 0.346 nan 8.290 nan 0.000 0.551 198 P HA -0.070 nan 4.420 nan 0.000 0.216 198 P C 2.006 179.358 177.300 0.087 0.000 1.153 198 P CA 1.180 64.146 63.100 -0.223 0.000 0.848 198 P CB -0.189 31.369 31.700 -0.237 0.000 0.787 199 I N -0.748 119.890 120.570 0.114 0.000 2.252 199 I HA -0.055 4.119 4.170 0.007 0.000 0.245 199 I C 2.789 179.034 176.117 0.213 0.000 1.102 199 I CA 1.705 63.133 61.300 0.214 0.000 1.385 199 I CB -1.918 36.182 38.000 0.167 0.000 1.064 199 I HN -0.098 nan 8.210 nan 0.000 0.414 200 G N 0.984 109.834 108.800 0.083 0.000 2.440 200 G HA2 -0.223 3.741 3.960 0.007 0.000 0.218 200 G HA3 -0.223 3.741 3.960 0.007 0.000 0.218 200 G C 1.885 176.718 174.900 -0.111 0.000 1.154 200 G CA 0.997 46.138 45.100 0.069 0.000 0.767 200 G HN 0.523 nan 8.290 nan 0.000 0.552 201 A N 0.735 123.270 122.820 -0.474 0.000 1.902 201 A HA 0.060 4.384 4.320 0.007 0.000 0.217 201 A C 2.406 179.892 177.584 -0.164 0.000 1.181 201 A CA 1.264 52.895 52.037 -0.678 0.000 0.623 201 A CB -0.367 18.186 19.000 -0.745 0.000 0.818 201 A HN 0.372 nan 8.150 nan 0.000 0.443 202 I N -1.876 118.704 120.570 0.016 0.000 2.163 202 I HA -0.317 3.857 4.170 0.007 0.000 0.243 202 I C 2.302 178.284 176.117 -0.224 0.000 1.085 202 I CA 1.683 62.938 61.300 -0.076 0.000 1.347 202 I CB -0.414 37.540 38.000 -0.076 0.000 1.044 202 I HN 0.423 nan 8.210 nan 0.000 0.408 203 Y N 0.086 120.388 120.300 0.003 0.000 2.439 203 Y HA -0.211 4.343 4.550 0.007 0.000 0.292 203 Y C 2.607 178.540 175.900 0.055 0.000 1.130 203 Y CA 0.993 59.108 58.100 0.024 0.000 1.254 203 Y CB -0.298 38.166 38.460 0.007 0.000 1.000 203 Y HN 0.207 nan 8.280 nan 0.000 0.554 204 Q N 0.650 120.522 119.800 0.121 0.000 2.083 204 Q HA -0.098 4.246 4.340 0.007 0.000 0.198 204 Q C 2.323 178.395 176.000 0.120 0.000 0.969 204 Q CA 1.710 57.594 55.803 0.135 0.000 0.838 204 Q CB -0.426 28.366 28.738 0.089 0.000 0.900 204 Q HN 0.346 nan 8.270 nan 0.000 0.436 205 A N 0.743 123.572 122.820 0.014 0.000 1.902 205 A HA -0.213 4.111 4.320 0.007 0.000 0.217 205 A C 2.096 179.675 177.584 -0.009 0.000 1.181 205 A CA 1.810 53.830 52.037 -0.028 0.000 0.623 205 A CB -0.657 18.277 19.000 -0.110 0.000 0.818 205 A HN 0.419 nan 8.150 nan 0.000 0.443 206 K N -1.803 118.590 120.400 -0.011 0.000 2.097 206 K HA -0.141 4.183 4.320 0.007 0.000 0.206 206 K C 1.723 178.401 176.600 0.129 0.000 1.049 206 K CA 1.486 57.796 56.287 0.038 0.000 0.933 206 K CB -0.289 32.204 32.500 -0.012 0.000 0.717 206 K HN 0.399 nan 8.250 nan 0.000 0.442 207 F N 1.444 121.407 119.950 0.022 0.000 2.186 207 F HA -0.092 4.439 4.527 0.007 0.000 0.299 207 F C 1.575 177.420 175.800 0.075 0.000 1.090 207 F CA 1.116 59.139 58.000 0.038 0.000 1.307 207 F CB -0.025 38.993 39.000 0.031 0.000 1.019 207 F HN -0.040 nan 8.300 nan 0.000 0.489 208 L N -0.204 121.050 121.223 0.051 0.000 2.046 208 L HA -0.226 4.118 4.340 0.007 0.000 0.208 208 L C 2.543 179.320 176.870 -0.154 0.000 1.077 208 L CA 1.116 55.925 54.840 -0.053 0.000 0.747 208 L CB -0.725 41.335 42.059 0.002 0.000 0.896 208 L HN -0.010 nan 8.230 nan 0.000 0.432 209 K N -0.283 120.045 120.400 -0.120 0.000 2.063 209 K HA -0.235 4.089 4.320 0.007 0.000 0.208 209 K C 2.049 178.505 176.600 -0.240 0.000 1.048 209 K CA 1.581 57.741 56.287 -0.213 0.000 0.928 209 K CB -0.708 31.758 32.500 -0.056 0.000 0.713 209 K HN 0.263 nan 8.250 nan 0.000 0.442 210 Y N 1.944 122.052 120.300 -0.321 0.000 2.128 210 Y HA -0.202 4.352 4.550 0.007 0.000 0.284 210 Y C 2.051 177.652 175.900 -0.498 0.000 1.154 210 Y CA 1.446 59.185 58.100 -0.601 0.000 1.149 210 Y CB -0.427 37.495 38.460 -0.897 0.000 0.976 210 Y HN -0.065 nan 8.280 nan 0.000 0.505 211 L N 0.075 120.966 121.223 -0.555 0.000 2.083 211 L HA -0.200 4.144 4.340 0.007 0.000 0.209 211 L C 2.584 179.251 176.870 -0.339 0.000 1.083 211 L CA 1.904 56.442 54.840 -0.503 0.000 0.752 211 L CB -0.565 41.276 42.059 -0.363 0.000 0.899 211 L HN 0.354 nan 8.230 nan 0.000 0.433 212 E N -0.252 119.775 120.200 -0.290 0.000 2.046 212 E HA -0.212 4.142 4.350 0.007 0.000 0.190 212 E C 2.071 178.585 176.600 -0.142 0.000 0.982 212 E CA 1.080 57.350 56.400 -0.217 0.000 0.800 212 E CB -0.036 29.514 29.700 -0.250 0.000 0.756 212 E HN 0.571 nan 8.360 nan 0.000 0.449 213 H N -0.575 118.432 119.070 -0.105 0.000 2.387 213 H HA -0.000 4.560 4.556 0.007 0.000 0.299 213 H C 1.902 177.161 175.328 -0.114 0.000 1.099 213 H CA 0.800 56.822 56.048 -0.042 0.000 1.315 213 H CB 0.266 30.114 29.762 0.144 0.000 1.380 213 H HN -0.034 nan 8.280 nan 0.000 0.513 214 R N 0.141 120.544 120.500 -0.161 0.000 2.307 214 R HA 0.023 4.367 4.340 0.007 0.000 0.199 214 R C 1.154 177.356 176.300 -0.163 0.000 1.000 214 R CA 0.734 56.684 56.100 -0.249 0.000 1.023 214 R CB -0.118 29.842 30.300 -0.567 0.000 0.908 214 R HN 0.557 nan 8.270 nan 0.000 0.473 215 G N 1.035 109.758 108.800 -0.128 0.000 2.160 215 G HA2 -0.263 3.701 3.960 0.007 0.000 0.251 215 G HA3 -0.263 3.701 3.960 0.007 0.000 0.251 215 G C 0.707 175.546 174.900 -0.103 0.000 1.008 215 G CA 0.393 45.438 45.100 -0.090 0.000 0.724 215 G HN 0.345 nan 8.290 nan 0.000 0.514 216 L N -1.199 119.935 121.223 -0.148 0.000 2.249 216 L HA 0.396 4.740 4.340 0.007 0.000 0.207 216 L C 1.258 178.072 176.870 -0.093 0.000 1.090 216 L CA 1.349 56.114 54.840 -0.125 0.000 0.802 216 L CB 0.240 42.198 42.059 -0.169 0.000 0.947 216 L HN 0.288 nan 8.230 nan 0.000 0.453 217 K N -0.171 120.165 120.400 -0.106 0.000 2.569 217 K HA 0.076 4.400 4.320 0.007 0.000 0.259 217 K C -1.679 174.872 176.600 -0.081 0.000 0.932 217 K CA -0.640 55.603 56.287 -0.074 0.000 0.833 217 K CB 1.783 34.250 32.500 -0.055 0.000 1.340 217 K HN -0.272 nan 8.250 nan 0.000 0.429 218 D N 2.881 123.247 120.400 -0.057 0.000 2.359 218 D HA 0.042 4.686 4.640 0.007 0.000 0.250 218 D C 0.391 176.661 176.300 -0.051 0.000 1.264 218 D CA 0.167 54.134 54.000 -0.056 0.000 0.911 218 D CB 0.928 41.705 40.800 -0.037 0.000 1.056 218 D HN 0.562 nan 8.370 nan 0.000 0.499 219 T N -0.576 113.937 114.554 -0.068 0.000 3.134 219 T HA 0.010 4.364 4.350 0.007 0.000 0.260 219 T C 1.654 176.324 174.700 -0.049 0.000 1.027 219 T CA 0.187 62.256 62.100 -0.051 0.000 0.913 219 T CB -0.183 68.649 68.868 -0.059 0.000 1.046 219 T HN 0.200 nan 8.240 nan 0.000 0.553 220 S N 2.027 117.695 115.700 -0.053 0.000 2.419 220 S HA -0.091 4.383 4.470 0.007 0.000 0.235 220 S C 1.635 176.222 174.600 -0.021 0.000 1.019 220 S CA 0.590 58.762 58.200 -0.047 0.000 0.982 220 S CB -0.482 62.693 63.200 -0.041 0.000 0.789 220 S HN 0.585 nan 8.310 nan 0.000 0.490 221 K N 0.908 121.305 120.400 -0.005 0.000 2.404 221 K HA 0.228 4.552 4.320 0.007 0.000 0.194 221 K C 0.344 176.967 176.600 0.039 0.000 1.023 221 K CA 0.076 56.376 56.287 0.021 0.000 1.094 221 K CB 0.190 32.706 32.500 0.027 0.000 0.841 221 K HN 0.542 nan 8.250 nan 0.000 0.523 222 Q N 0.295 120.108 119.800 0.022 0.000 2.245 222 Q HA 0.260 4.604 4.340 0.007 0.000 0.256 222 Q C -0.740 175.266 176.000 0.010 0.000 0.942 222 Q CA -0.230 55.597 55.803 0.039 0.000 0.896 222 Q CB 2.092 30.852 28.738 0.037 0.000 1.272 222 Q HN -0.091 nan 8.270 nan 0.000 0.442 223 T N 1.063 115.629 114.554 0.021 0.000 2.861 223 T HA 0.386 4.740 4.350 0.007 0.000 0.287 223 T C -0.779 173.842 174.700 -0.131 0.000 1.003 223 T CA -0.551 61.478 62.100 -0.118 0.000 0.977 223 T CB 1.377 70.118 68.868 -0.211 0.000 0.996 223 T HN 0.246 nan 8.240 nan 0.000 0.448 224 V N 4.097 123.898 119.914 -0.188 0.000 2.364 224 V HA 0.380 4.504 4.120 0.007 0.000 0.272 224 V C -1.084 174.925 176.094 -0.143 0.000 1.036 224 V CA -0.668 61.590 62.300 -0.070 0.000 0.880 224 V CB 0.079 31.874 31.823 -0.047 0.000 0.991 224 V HN 0.799 nan 8.190 nan 0.000 0.460 225 Y N 2.874 123.255 120.300 0.135 0.000 2.331 225 Y HA 0.677 5.231 4.550 0.007 0.000 0.338 225 Y C 0.453 176.437 175.900 0.140 0.000 0.992 225 Y CA -0.592 57.594 58.100 0.144 0.000 1.121 225 Y CB 1.820 40.473 38.460 0.322 0.000 1.184 225 Y HN 0.653 nan 8.280 nan 0.000 0.469 226 A N 4.563 127.455 122.820 0.121 0.000 2.267 226 A HA 0.627 4.951 4.320 0.007 0.000 0.315 226 A C -1.433 176.070 177.584 -0.136 0.000 1.297 226 A CA -0.495 51.511 52.037 -0.050 0.000 0.865 226 A CB -0.203 18.541 19.000 -0.426 0.000 1.165 226 A HN 0.627 nan 8.150 nan 0.000 0.513 227 F N 3.202 123.151 119.950 -0.002 0.000 2.350 227 F HA 0.482 5.013 4.527 0.006 0.000 0.365 227 F C 0.177 175.958 175.800 -0.033 0.000 1.122 227 F CA -0.022 57.976 58.000 -0.002 0.000 1.139 227 F CB 0.893 39.958 39.000 0.108 0.000 1.220 227 F HN 0.392 nan 8.300 nan 0.000 0.499 228 L N 2.283 123.481 121.223 -0.041 0.000 2.303 228 L HA 0.834 5.178 4.340 0.007 0.000 0.266 228 L C 0.576 177.442 176.870 -0.006 0.000 1.011 228 L CA -1.194 53.608 54.840 -0.062 0.000 0.818 228 L CB 1.553 43.478 42.059 -0.223 0.000 1.326 228 L HN 0.574 nan 8.230 nan 0.000 0.435 229 G N -0.796 108.018 108.800 0.024 0.000 2.437 229 G HA2 0.344 4.308 3.960 0.007 0.000 0.319 229 G HA3 0.344 4.308 3.960 0.007 0.000 0.319 229 G C 0.035 174.941 174.900 0.009 0.000 1.158 229 G CA -0.300 44.832 45.100 0.053 0.000 0.899 229 G HN 0.780 nan 8.290 nan 0.000 0.502 230 D N 0.157 120.564 120.400 0.011 0.000 2.194 230 D HA -0.046 4.598 4.640 0.007 0.000 0.204 230 D C 2.157 178.464 176.300 0.012 0.000 0.964 230 D CA 1.084 55.081 54.000 -0.005 0.000 0.846 230 D CB -0.739 40.056 40.800 -0.009 0.000 0.962 230 D HN 0.481 nan 8.370 nan 0.000 0.490 231 G N 0.695 109.510 108.800 0.026 0.000 2.422 231 G HA2 -0.323 3.641 3.960 0.007 0.000 0.218 231 G HA3 -0.323 3.641 3.960 0.007 0.000 0.218 231 G C 1.452 176.362 174.900 0.017 0.000 1.146 231 G CA 0.754 45.869 45.100 0.024 0.000 0.769 231 G HN 0.486 nan 8.290 nan 0.000 0.547 232 E N -0.129 120.082 120.200 0.020 0.000 2.209 232 E HA -0.154 4.200 4.350 0.007 0.000 0.196 232 E C 2.178 178.781 176.600 0.006 0.000 0.993 232 E CA 0.827 57.234 56.400 0.012 0.000 0.819 232 E CB -0.138 29.572 29.700 0.016 0.000 0.745 232 E HN 0.268 nan 8.360 nan 0.000 0.477 233 M N 0.961 120.566 119.600 0.008 0.000 2.539 233 M HA -0.085 4.399 4.480 0.007 0.000 0.261 233 M C 0.854 177.165 176.300 0.018 0.000 1.069 233 M CA 1.029 56.343 55.300 0.023 0.000 1.081 233 M CB -0.619 32.008 32.600 0.044 0.000 1.412 233 M HN 0.058 nan 8.290 nan 0.000 0.482 234 D N 0.400 120.806 120.400 0.011 0.000 2.269 234 D HA -0.036 4.608 4.640 0.007 0.000 0.208 234 D C 0.467 176.768 176.300 0.001 0.000 0.963 234 D CA 0.534 54.537 54.000 0.005 0.000 0.864 234 D CB 0.169 40.972 40.800 0.005 0.000 0.936 234 D HN 0.248 nan 8.370 nan 0.000 0.505 235 E N 0.755 120.957 120.200 0.004 0.000 2.415 235 E HA -0.015 4.339 4.350 0.007 0.000 0.263 235 E C -1.609 174.992 176.600 0.002 0.000 0.995 235 E CA -1.162 55.240 56.400 0.003 0.000 0.915 235 E CB 0.809 30.513 29.700 0.006 0.000 0.951 235 E HN 0.102 nan 8.360 nan 0.000 0.449 236 P HA -0.179 nan 4.420 nan 0.000 0.216 236 P C 0.661 177.961 177.300 -0.000 0.000 1.150 236 P CA 1.269 64.364 63.100 -0.008 0.000 0.843 236 P CB 0.349 32.042 31.700 -0.011 0.000 0.787 237 E N -1.055 119.152 120.200 0.010 0.000 2.268 237 E HA -0.094 4.260 4.350 0.007 0.000 0.195 237 E C 2.021 178.650 176.600 0.048 0.000 0.995 237 E CA 1.014 57.431 56.400 0.027 0.000 0.836 237 E CB -0.767 28.950 29.700 0.028 0.000 0.763 237 E HN 0.199 nan 8.360 nan 0.000 0.491 238 S N 0.362 116.084 115.700 0.036 0.000 2.368 238 S HA -0.074 4.400 4.470 0.007 0.000 0.224 238 S C 1.466 176.123 174.600 0.095 0.000 1.029 238 S CA 1.172 59.406 58.200 0.058 0.000 0.988 238 S CB 0.019 63.238 63.200 0.032 0.000 0.838 238 S HN 0.206 nan 8.310 nan 0.000 0.462 239 K N 0.129 120.532 120.400 0.005 0.000 2.373 239 K HA 0.216 4.540 4.320 0.007 0.000 0.200 239 K C 1.960 178.486 176.600 -0.122 0.000 1.054 239 K CA 0.356 56.566 56.287 -0.128 0.000 1.065 239 K CB 0.227 32.596 32.500 -0.218 0.000 0.886 239 K HN 0.312 nan 8.250 nan 0.000 0.546 240 G N 1.498 110.273 108.800 -0.042 0.000 2.479 240 G HA2 -0.223 3.741 3.960 0.007 0.000 0.220 240 G HA3 -0.223 3.741 3.960 0.007 0.000 0.220 240 G C 1.174 176.073 174.900 -0.001 0.000 1.115 240 G CA 1.076 46.159 45.100 -0.027 0.000 0.757 240 G HN 0.316 nan 8.290 nan 0.000 0.560 241 A N 0.135 122.978 122.820 0.038 0.000 2.571 241 A HA 0.425 4.749 4.320 0.007 0.000 0.274 241 A C 1.855 179.478 177.584 0.063 0.000 1.196 241 A CA 0.204 52.291 52.037 0.084 0.000 0.957 241 A CB -0.085 19.043 19.000 0.213 0.000 1.150 241 A HN 0.498 nan 8.150 nan 0.000 0.539 242 I N -1.711 118.857 120.570 -0.003 0.000 2.454 242 I HA -0.156 4.018 4.170 0.007 0.000 0.254 242 I C 2.039 178.308 176.117 0.253 0.000 1.156 242 I CA 1.977 63.327 61.300 0.082 0.000 1.433 242 I CB -0.952 36.762 38.000 -0.477 0.000 1.082 242 I HN 0.236 nan 8.210 nan 0.000 0.432 243 T N -0.463 114.133 114.554 0.070 0.000 2.962 243 T HA -0.011 4.343 4.350 0.007 0.000 0.270 243 T C 1.830 176.535 174.700 0.007 0.000 1.088 243 T CA 0.722 62.857 62.100 0.058 0.000 1.127 243 T CB -0.470 68.399 68.868 0.000 0.000 0.883 243 T HN 0.311 nan 8.240 nan 0.000 0.493 244 I N 2.286 122.849 120.570 -0.012 0.000 2.361 244 I HA -0.003 4.171 4.170 0.007 0.000 0.251 244 I C 3.025 179.042 176.117 -0.167 0.000 1.133 244 I CA 0.882 62.131 61.300 -0.084 0.000 1.413 244 I CB -1.792 36.131 38.000 -0.128 0.000 1.073 244 I HN 0.394 nan 8.210 nan 0.000 0.424 245 A N 0.312 123.015 122.820 -0.195 0.000 1.972 245 A HA -0.159 4.165 4.320 0.007 0.000 0.219 245 A C 2.426 179.746 177.584 -0.440 0.000 1.169 245 A CA 2.165 53.950 52.037 -0.420 0.000 0.635 245 A CB -0.835 17.698 19.000 -0.777 0.000 0.810 245 A HN 0.406 nan 8.150 nan 0.000 0.446 246 T N -0.646 113.720 114.554 -0.314 0.000 2.851 246 T HA -0.044 4.310 4.350 0.007 0.000 0.262 246 T C 2.056 176.658 174.700 -0.163 0.000 1.043 246 T CA 1.122 63.077 62.100 -0.243 0.000 1.140 246 T CB -0.173 68.622 68.868 -0.121 0.000 0.872 246 T HN 0.504 nan 8.240 nan 0.000 0.446 247 R N 1.196 121.623 120.500 -0.123 0.000 2.091 247 R HA -0.041 4.303 4.340 0.007 0.000 0.238 247 R C 1.824 178.058 176.300 -0.111 0.000 1.136 247 R CA 1.052 57.094 56.100 -0.097 0.000 0.959 247 R CB -0.095 30.162 30.300 -0.072 0.000 0.856 247 R HN 0.322 nan 8.270 nan 0.000 0.437 248 E N 0.704 120.825 120.200 -0.130 0.000 2.465 248 E HA 0.025 4.379 4.350 0.007 0.000 0.191 248 E C -0.294 176.231 176.600 -0.125 0.000 1.053 248 E CA 0.002 56.335 56.400 -0.111 0.000 0.869 248 E CB 0.308 29.952 29.700 -0.093 0.000 0.977 248 E HN 0.208 nan 8.360 nan 0.000 0.483 249 K N 0.920 121.219 120.400 -0.169 0.000 3.278 249 K HA -0.185 4.139 4.320 0.007 0.000 0.270 249 K C -0.415 176.063 176.600 -0.203 0.000 0.955 249 K CA 0.060 56.238 56.287 -0.181 0.000 0.723 249 K CB -1.143 31.287 32.500 -0.118 0.000 1.382 249 K HN 0.003 nan 8.250 nan 0.000 0.461 250 L N 2.272 123.322 121.223 -0.288 0.000 2.376 250 L HA 0.011 4.355 4.340 0.007 0.000 0.250 250 L C 0.931 177.605 176.870 -0.325 0.000 1.335 250 L CA 0.704 55.368 54.840 -0.294 0.000 1.214 250 L CB -0.354 41.492 42.059 -0.355 0.000 1.395 250 L HN 0.229 nan 8.230 nan 0.000 0.424 251 D N -1.401 118.854 120.400 -0.241 0.000 2.323 251 D HA -0.079 4.565 4.640 0.007 0.000 0.239 251 D C 0.838 177.023 176.300 -0.192 0.000 1.129 251 D CA 0.178 54.046 54.000 -0.221 0.000 0.865 251 D CB -0.283 40.419 40.800 -0.162 0.000 0.913 251 D HN 0.400 nan 8.370 nan 0.000 0.517 252 N N 0.076 118.657 118.700 -0.198 0.000 2.200 252 N HA 0.098 4.842 4.740 0.007 0.000 0.224 252 N C -0.424 174.957 175.510 -0.215 0.000 1.179 252 N CA -0.493 52.453 53.050 -0.175 0.000 0.877 252 N CB 0.313 38.723 38.487 -0.129 0.000 1.072 252 N HN 0.207 nan 8.380 nan 0.000 0.519 253 L N 0.443 121.510 121.223 -0.260 0.000 2.362 253 L HA 0.657 5.001 4.340 0.007 0.000 0.275 253 L C -1.424 175.301 176.870 -0.241 0.000 0.998 253 L CA -0.820 53.871 54.840 -0.248 0.000 0.820 253 L CB 2.154 44.042 42.059 -0.285 0.000 1.270 253 L HN -0.129 nan 8.230 nan 0.000 0.415 254 V N 5.579 125.398 119.914 -0.157 0.000 2.482 254 V HA 0.433 4.557 4.120 0.007 0.000 0.295 254 V C -0.804 175.391 176.094 0.168 0.000 1.026 254 V CA -0.433 61.821 62.300 -0.076 0.000 0.856 254 V CB 1.410 33.107 31.823 -0.209 0.000 1.001 254 V HN 0.499 nan 8.190 nan 0.000 0.424 255 F N 4.018 123.936 119.950 -0.054 0.000 2.411 255 F HA 0.558 5.089 4.527 0.007 0.000 0.350 255 F C 0.278 175.881 175.800 -0.329 0.000 1.114 255 F CA -0.979 56.932 58.000 -0.148 0.000 1.135 255 F CB 1.849 40.752 39.000 -0.162 0.000 1.120 255 F HN 0.177 nan 8.300 nan 0.000 0.495 256 V N 6.588 126.303 119.914 -0.331 0.000 2.304 256 V HA 0.334 4.458 4.120 0.007 0.000 0.278 256 V C 0.062 175.927 176.094 -0.382 0.000 1.018 256 V CA -0.588 61.416 62.300 -0.493 0.000 0.814 256 V CB 0.913 32.175 31.823 -0.935 0.000 1.021 256 V HN 0.450 nan 8.190 nan 0.000 0.440 257 I N 3.926 124.316 120.570 -0.301 0.000 2.315 257 I HA 0.317 4.491 4.170 0.007 0.000 0.291 257 I C 0.391 176.408 176.117 -0.165 0.000 1.006 257 I CA -0.355 60.812 61.300 -0.222 0.000 1.265 257 I CB 1.133 38.989 38.000 -0.239 0.000 1.387 257 I HN 0.453 nan 8.210 nan 0.000 0.475 258 N N 6.412 125.060 118.700 -0.087 0.000 2.402 258 N HA 0.090 4.834 4.740 0.007 0.000 0.259 258 N C -0.774 174.707 175.510 -0.047 0.000 1.167 258 N CA -0.259 52.759 53.050 -0.053 0.000 0.949 258 N CB 0.410 38.911 38.487 0.024 0.000 1.212 258 N HN 0.546 nan 8.380 nan 0.000 0.493 259 C N 4.226 123.481 119.300 -0.074 0.000 2.298 259 C HA 0.196 4.660 4.460 0.007 0.000 0.451 259 C C 1.302 176.305 174.990 0.022 0.000 1.028 259 C CA -0.898 58.095 59.018 -0.042 0.000 1.324 259 C CB -1.925 25.757 27.740 -0.097 0.000 1.534 259 C HN 0.709 nan 8.230 nan 0.000 0.528 260 N N 1.093 119.811 118.700 0.030 0.000 2.398 260 N HA 0.074 4.818 4.740 0.007 0.000 0.188 260 N C 0.849 176.405 175.510 0.077 0.000 1.122 260 N CA -0.099 52.982 53.050 0.051 0.000 0.866 260 N CB -0.417 38.111 38.487 0.068 0.000 0.970 260 N HN 0.656 nan 8.380 nan 0.000 0.462 261 L N -3.214 118.051 121.223 0.070 0.000 5.081 261 L HA -0.311 4.033 4.340 0.007 0.000 0.423 261 L C -0.167 176.743 176.870 0.066 0.000 1.019 261 L CA 0.893 55.776 54.840 0.072 0.000 1.223 261 L CB -1.960 40.161 42.059 0.104 0.000 1.940 261 L HN 0.388 nan 8.230 nan 0.000 0.675 262 Q N 0.064 119.905 119.800 0.068 0.000 2.375 262 Q HA 0.635 4.979 4.340 0.007 0.000 0.271 262 Q C 0.254 176.293 176.000 0.065 0.000 1.074 262 Q CA -0.814 55.029 55.803 0.067 0.000 0.808 262 Q CB 1.830 30.615 28.738 0.078 0.000 1.327 262 Q HN 0.272 nan 8.270 nan 0.000 0.441 263 R N 2.036 122.568 120.500 0.053 0.000 2.544 263 R HA 0.376 4.721 4.340 0.007 0.000 0.205 263 R C 0.632 176.961 176.300 0.049 0.000 1.324 263 R CA -0.760 55.367 56.100 0.045 0.000 1.008 263 R CB -0.589 29.729 30.300 0.030 0.000 2.138 263 R HN 0.521 nan 8.270 nan 0.000 0.514 264 L N 0.371 121.614 121.223 0.033 0.000 2.034 264 L HA -0.025 4.319 4.340 0.007 0.000 0.203 264 L C 0.817 177.715 176.870 0.048 0.000 1.074 264 L CA 2.061 56.926 54.840 0.041 0.000 0.748 264 L CB -0.976 41.099 42.059 0.027 0.000 0.905 264 L HN 0.577 nan 8.230 nan 0.000 0.439 265 D N -0.132 120.290 120.400 0.037 0.000 2.339 265 D HA 0.294 4.938 4.640 0.007 0.000 0.217 265 D C 0.730 177.050 176.300 0.034 0.000 1.050 265 D CA 0.622 54.643 54.000 0.035 0.000 0.856 265 D CB 0.737 41.553 40.800 0.027 0.000 0.922 265 D HN 0.498 nan 8.370 nan 0.000 0.518 266 G N -0.080 108.743 108.800 0.037 0.000 2.340 266 G HA2 0.271 4.235 3.960 0.007 0.000 0.299 266 G HA3 0.271 4.235 3.960 0.007 0.000 0.299 266 G C -3.036 171.888 174.900 0.040 0.000 1.291 266 G CA -0.923 44.198 45.100 0.036 0.000 0.841 266 G HN -0.256 nan 8.290 nan 0.000 0.500 267 P HA 0.275 nan 4.420 nan 0.000 0.274 267 P C 1.140 178.461 177.300 0.035 0.000 1.231 267 P CA -0.204 62.921 63.100 0.042 0.000 0.790 267 P CB 1.780 33.505 31.700 0.041 0.000 0.951 268 V N 1.370 121.305 119.914 0.036 0.000 2.295 268 V HA -0.120 4.004 4.120 0.007 0.000 0.246 268 V C 1.433 177.541 176.094 0.023 0.000 1.049 268 V CA 2.710 65.027 62.300 0.027 0.000 1.024 268 V CB -1.381 30.457 31.823 0.026 0.000 0.648 268 V HN 0.841 nan 8.190 nan 0.000 0.447 269 T N -2.910 111.659 114.554 0.025 0.000 3.201 269 T HA 0.470 4.824 4.350 0.007 0.000 0.338 269 T C 0.934 175.649 174.700 0.023 0.000 1.095 269 T CA 0.131 62.243 62.100 0.020 0.000 1.426 269 T CB 0.707 69.585 68.868 0.016 0.000 0.956 269 T HN 0.290 nan 8.240 nan 0.000 0.551 270 G N 2.634 111.448 108.800 0.022 0.000 2.505 270 G HA2 -0.279 3.685 3.960 0.007 0.000 0.220 270 G HA3 -0.279 3.685 3.960 0.007 0.000 0.220 270 G C 1.202 176.111 174.900 0.015 0.000 1.145 270 G CA 0.823 45.936 45.100 0.021 0.000 0.761 270 G HN 0.642 nan 8.290 nan 0.000 0.571 271 N N 0.320 119.026 118.700 0.010 0.000 2.295 271 N HA 0.336 5.080 4.740 0.007 0.000 0.221 271 N C 0.628 176.140 175.510 0.004 0.000 1.129 271 N CA 0.553 53.606 53.050 0.005 0.000 0.836 271 N CB 0.250 38.739 38.487 0.003 0.000 1.040 271 N HN 0.327 nan 8.380 nan 0.000 0.494 272 G N -0.815 107.990 108.800 0.009 0.000 3.222 272 G HA2 0.497 4.461 3.960 0.007 0.000 0.263 272 G HA3 0.497 4.461 3.960 0.007 0.000 0.263 272 G C -1.326 173.577 174.900 0.006 0.000 1.312 272 G CA -0.645 44.457 45.100 0.004 0.000 0.934 272 G HN 0.127 nan 8.290 nan 0.000 0.577 273 K N 0.935 121.334 120.400 -0.001 0.000 2.626 273 K HA 0.221 4.545 4.320 0.007 0.000 0.223 273 K C 0.946 177.557 176.600 0.019 0.000 0.992 273 K CA -0.471 55.815 56.287 -0.002 0.000 1.024 273 K CB 1.655 34.117 32.500 -0.064 0.000 1.225 273 K HN 0.453 nan 8.250 nan 0.000 0.498 274 I N -0.311 120.273 120.570 0.024 0.000 2.264 274 I HA -0.262 3.912 4.170 0.007 0.000 0.248 274 I C 1.546 177.664 176.117 0.002 0.000 1.111 274 I CA 1.442 62.750 61.300 0.013 0.000 1.382 274 I CB -0.490 37.517 38.000 0.012 0.000 1.060 274 I HN 0.506 nan 8.210 nan 0.000 0.418 275 I N 1.024 121.596 120.570 0.003 0.000 2.286 275 I HA -0.231 3.943 4.170 0.007 0.000 0.248 275 I C 2.115 178.229 176.117 -0.005 0.000 1.115 275 I CA 1.397 62.672 61.300 -0.041 0.000 1.392 275 I CB -0.641 37.292 38.000 -0.112 0.000 1.065 275 I HN 0.299 nan 8.210 nan 0.000 0.418 276 N N 0.592 119.324 118.700 0.054 0.000 2.188 276 N HA -0.199 4.545 4.740 0.007 0.000 0.184 276 N C 1.722 177.244 175.510 0.021 0.000 1.018 276 N CA 1.027 54.104 53.050 0.044 0.000 0.858 276 N CB -0.206 38.310 38.487 0.048 0.000 0.989 276 N HN 0.403 nan 8.380 nan 0.000 0.426 277 E N 0.074 120.284 120.200 0.017 0.000 2.051 277 E HA -0.155 4.199 4.350 0.007 0.000 0.192 277 E C 1.493 178.112 176.600 0.031 0.000 0.991 277 E CA 0.813 57.221 56.400 0.015 0.000 0.799 277 E CB -0.016 29.691 29.700 0.011 0.000 0.748 277 E HN 0.043 nan 8.360 nan 0.000 0.449 278 L N 1.713 122.958 121.223 0.036 0.000 2.012 278 L HA -0.184 4.160 4.340 0.007 0.000 0.210 278 L C 2.404 179.339 176.870 0.108 0.000 1.073 278 L CA 2.028 56.922 54.840 0.089 0.000 0.748 278 L CB -1.077 40.970 42.059 -0.020 0.000 0.891 278 L HN 0.296 nan 8.230 nan 0.000 0.431 279 E N -0.988 119.219 120.200 0.012 0.000 2.085 279 E HA -0.200 4.154 4.350 0.007 0.000 0.194 279 E C 2.133 178.758 176.600 0.041 0.000 0.994 279 E CA 1.184 57.586 56.400 0.004 0.000 0.801 279 E CB -0.299 29.386 29.700 -0.025 0.000 0.743 279 E HN 0.499 nan 8.360 nan 0.000 0.453 280 G N 1.623 110.440 108.800 0.028 0.000 2.446 280 G HA2 -0.288 3.676 3.960 0.007 0.000 0.217 280 G HA3 -0.288 3.676 3.960 0.007 0.000 0.217 280 G C 1.614 176.514 174.900 -0.000 0.000 1.168 280 G CA 0.882 45.990 45.100 0.014 0.000 0.771 280 G HN 0.407 nan 8.290 nan 0.000 0.551 281 I N -1.284 119.278 120.570 -0.013 0.000 2.406 281 I HA 0.071 4.245 4.170 0.007 0.000 0.249 281 I C 2.315 178.317 176.117 -0.191 0.000 1.122 281 I CA 0.691 61.927 61.300 -0.106 0.000 1.431 281 I CB 0.042 37.944 38.000 -0.162 0.000 1.087 281 I HN 0.147 nan 8.210 nan 0.000 0.424 282 F N 0.954 120.781 119.950 -0.204 0.000 2.206 282 F HA -0.164 4.367 4.527 0.007 0.000 0.298 282 F C 2.593 178.324 175.800 -0.115 0.000 1.090 282 F CA 1.294 59.104 58.000 -0.317 0.000 1.323 282 F CB -0.326 38.416 39.000 -0.430 0.000 1.028 282 F HN 0.070 nan 8.300 nan 0.000 0.492 283 E N 0.379 120.646 120.200 0.111 0.000 2.072 283 E HA -0.136 4.218 4.350 0.007 0.000 0.191 283 E C 2.500 179.131 176.600 0.052 0.000 0.985 283 E CA 1.187 57.639 56.400 0.086 0.000 0.801 283 E CB -0.636 29.093 29.700 0.047 0.000 0.750 283 E HN 0.380 nan 8.360 nan 0.000 0.452 284 G N 0.411 109.217 108.800 0.010 0.000 2.443 284 G HA2 -0.154 3.810 3.960 0.007 0.000 0.219 284 G HA3 -0.154 3.810 3.960 0.007 0.000 0.219 284 G C 1.472 176.367 174.900 -0.009 0.000 1.131 284 G CA 0.786 45.881 45.100 -0.009 0.000 0.775 284 G HN 0.350 nan 8.290 nan 0.000 0.547 285 A N -0.429 122.385 122.820 -0.011 0.000 2.251 285 A HA 0.486 4.810 4.320 0.007 0.000 0.209 285 A C 1.945 179.627 177.584 0.164 0.000 1.187 285 A CA 1.196 53.250 52.037 0.028 0.000 0.823 285 A CB -0.386 18.562 19.000 -0.086 0.000 0.846 285 A HN 1.507 nan 8.150 nan 0.000 0.486 286 G N -2.671 106.217 108.800 0.146 0.000 2.157 286 G HA2 -0.252 3.712 3.960 0.007 0.000 0.239 286 G HA3 -0.252 3.712 3.960 0.007 0.000 0.239 286 G C -0.131 174.863 174.900 0.158 0.000 0.982 286 G CA 0.073 45.239 45.100 0.111 0.000 0.650 286 G HN 0.369 nan 8.290 nan 0.000 0.527 287 W N 0.531 121.808 121.300 -0.039 0.000 2.215 287 W HA 0.626 5.291 4.660 0.007 0.000 0.342 287 W C 0.542 177.031 176.519 -0.050 0.000 1.237 287 W CA -0.758 56.564 57.345 -0.038 0.000 1.283 287 W CB 0.418 29.909 29.460 0.052 0.000 1.131 287 W HN 0.181 nan 8.180 nan 0.000 0.606 288 N N 0.875 119.667 118.700 0.154 0.000 2.414 288 N HA 0.340 5.084 4.740 0.007 0.000 0.256 288 N C -1.592 173.942 175.510 0.040 0.000 1.029 288 N CA -0.143 52.933 53.050 0.043 0.000 0.948 288 N CB 0.669 39.134 38.487 -0.036 0.000 1.102 288 N HN 0.126 nan 8.380 nan 0.000 0.496 289 V N 5.228 125.143 119.914 0.001 0.000 2.398 289 V HA 0.434 4.558 4.120 0.007 0.000 0.286 289 V C 0.256 176.285 176.094 -0.109 0.000 1.026 289 V CA -0.643 61.617 62.300 -0.067 0.000 0.868 289 V CB 0.868 32.656 31.823 -0.058 0.000 0.982 289 V HN 0.576 nan 8.190 nan 0.000 0.443 290 I N 4.916 125.387 120.570 -0.165 0.000 2.382 290 I HA 0.426 4.600 4.170 0.007 0.000 0.285 290 I C -0.105 175.881 176.117 -0.219 0.000 1.007 290 I CA -0.596 60.597 61.300 -0.179 0.000 1.142 290 I CB 1.583 39.459 38.000 -0.207 0.000 1.289 290 I HN 0.503 nan 8.210 nan 0.000 0.453 291 K N 5.293 125.571 120.400 -0.203 0.000 2.211 291 K HA 0.481 4.805 4.320 0.007 0.000 0.275 291 K C -0.709 175.735 176.600 -0.260 0.000 1.024 291 K CA -0.464 55.667 56.287 -0.260 0.000 0.887 291 K CB 2.018 34.352 32.500 -0.276 0.000 1.084 291 K HN 0.309 nan 8.250 nan 0.000 0.463 292 V N 5.829 125.570 119.914 -0.288 0.000 2.220 292 V HA 0.064 4.188 4.120 0.007 0.000 0.265 292 V C 0.605 176.487 176.094 -0.353 0.000 1.078 292 V CA -0.341 61.811 62.300 -0.247 0.000 0.872 292 V CB 0.583 32.293 31.823 -0.189 0.000 1.121 292 V HN 0.834 nan 8.190 nan 0.000 0.460 293 M N 1.342 120.641 119.600 -0.503 0.000 2.276 293 M HA 0.201 4.685 4.480 0.007 0.000 0.262 293 M C 0.334 176.017 176.300 -1.029 0.000 1.098 293 M CA 1.240 55.952 55.300 -0.981 0.000 1.167 293 M CB -0.182 31.599 32.600 -1.365 0.000 1.337 293 M HN 0.508 nan 8.290 nan 0.000 0.446 294 W N -0.265 120.922 121.300 -0.189 0.000 2.761 294 W HA 0.636 5.300 4.660 0.006 0.000 0.340 294 W C 0.621 177.175 176.519 0.059 0.000 1.072 294 W CA -1.240 55.989 57.345 -0.195 0.000 1.215 294 W CB 0.550 29.668 29.460 -0.569 0.000 1.420 294 W HN 0.135 nan 8.180 nan 0.000 0.519 295 G N 0.261 109.366 108.800 0.509 0.000 2.683 295 G HA2 0.168 4.132 3.960 0.007 0.000 0.260 295 G HA3 0.168 4.132 3.960 0.007 0.000 0.260 295 G C 0.678 175.838 174.900 0.434 0.000 1.238 295 G CA -0.400 44.946 45.100 0.410 0.000 0.934 295 G HN 0.531 nan 8.290 nan 0.000 0.534 296 S N -0.497 115.374 115.700 0.284 0.000 2.419 296 S HA -0.115 4.359 4.470 0.007 0.000 0.233 296 S C 2.379 177.129 174.600 0.251 0.000 1.016 296 S CA 0.962 59.303 58.200 0.234 0.000 0.974 296 S CB -0.173 63.114 63.200 0.145 0.000 0.786 296 S HN 0.564 nan 8.310 nan 0.000 0.492 297 R N -0.311 120.338 120.500 0.248 0.000 2.193 297 R HA -0.097 4.247 4.340 0.007 0.000 0.229 297 R C 1.559 177.980 176.300 0.202 0.000 1.110 297 R CA 1.257 57.463 56.100 0.177 0.000 0.988 297 R CB -0.277 30.080 30.300 0.096 0.000 0.871 297 R HN 0.495 nan 8.270 nan 0.000 0.458 298 W N 1.142 122.570 121.300 0.214 0.000 2.658 298 W HA -0.004 4.660 4.660 0.006 0.000 0.263 298 W C 1.551 178.153 176.519 0.137 0.000 1.274 298 W CA 0.205 57.644 57.345 0.155 0.000 1.343 298 W CB -0.011 29.511 29.460 0.102 0.000 1.106 298 W HN 0.011 nan 8.180 nan 0.000 0.615 299 D N 0.917 121.532 120.400 0.358 0.000 2.116 299 D HA -0.255 4.389 4.640 0.007 0.000 0.193 299 D C 1.918 178.340 176.300 0.202 0.000 0.998 299 D CA 2.152 56.301 54.000 0.249 0.000 0.836 299 D CB -0.686 40.233 40.800 0.197 0.000 0.951 299 D HN 0.473 nan 8.370 nan 0.000 0.449 300 E N 0.945 121.264 120.200 0.199 0.000 2.058 300 E HA -0.167 4.187 4.350 0.007 0.000 0.194 300 E C 2.502 179.203 176.600 0.167 0.000 0.997 300 E CA 0.769 57.274 56.400 0.175 0.000 0.801 300 E CB -0.698 29.122 29.700 0.200 0.000 0.746 300 E HN 0.269 nan 8.360 nan 0.000 0.450 301 L N 0.664 121.992 121.223 0.174 0.000 2.017 301 L HA -0.174 4.170 4.340 0.007 0.000 0.208 301 L C 2.802 179.750 176.870 0.129 0.000 1.073 301 L CA 1.089 55.988 54.840 0.099 0.000 0.745 301 L CB -0.473 41.598 42.059 0.020 0.000 0.894 301 L HN 0.169 nan 8.230 nan 0.000 0.432 302 L N -0.547 120.784 121.223 0.180 0.000 2.131 302 L HA -0.195 4.150 4.340 0.007 0.000 0.210 302 L C 2.840 179.776 176.870 0.110 0.000 1.092 302 L CA 1.069 55.998 54.840 0.149 0.000 0.759 302 L CB -0.469 41.691 42.059 0.169 0.000 0.903 302 L HN 0.275 nan 8.230 nan 0.000 0.435 303 R N 1.412 121.980 120.500 0.113 0.000 2.073 303 R HA -0.176 4.168 4.340 0.007 0.000 0.229 303 R C 2.332 178.675 176.300 0.071 0.000 1.120 303 R CA 1.627 57.780 56.100 0.089 0.000 0.967 303 R CB -0.004 30.351 30.300 0.092 0.000 0.862 303 R HN 0.411 nan 8.270 nan 0.000 0.436 304 K N -0.298 120.146 120.400 0.074 0.000 2.228 304 K HA -0.064 4.260 4.320 0.007 0.000 0.202 304 K C 0.308 176.934 176.600 0.042 0.000 1.051 304 K CA 1.013 57.334 56.287 0.057 0.000 0.960 304 K CB -0.088 32.449 32.500 0.061 0.000 0.743 304 K HN -0.056 nan 8.250 nan 0.000 0.458 305 D N 2.657 123.085 120.400 0.045 0.000 2.398 305 D HA -0.028 4.616 4.640 0.007 0.000 0.250 305 D C 0.631 176.944 176.300 0.023 0.000 1.287 305 D CA 0.173 54.191 54.000 0.031 0.000 0.992 305 D CB 0.987 41.809 40.800 0.037 0.000 1.071 305 D HN 0.369 nan 8.370 nan 0.000 0.514 306 T N -0.749 113.814 114.554 0.016 0.000 3.085 306 T HA -0.121 4.233 4.350 0.007 0.000 0.263 306 T C 1.777 176.477 174.700 -0.001 0.000 1.127 306 T CA 0.791 62.898 62.100 0.011 0.000 1.103 306 T CB -0.167 68.707 68.868 0.011 0.000 0.921 306 T HN 0.238 nan 8.240 nan 0.000 0.510 307 S N 0.811 116.505 115.700 -0.010 0.000 2.461 307 S HA 0.333 4.807 4.470 0.007 0.000 0.228 307 S C 2.110 176.684 174.600 -0.043 0.000 1.005 307 S CA 0.534 58.716 58.200 -0.029 0.000 0.942 307 S CB -0.930 62.245 63.200 -0.040 0.000 0.776 307 S HN 1.221 nan 8.310 nan 0.000 0.514 308 G N 1.395 110.176 108.800 -0.031 0.000 2.155 308 G HA2 -0.357 3.607 3.960 0.007 0.000 0.257 308 G HA3 -0.357 3.607 3.960 0.007 0.000 0.257 308 G C 0.739 175.592 174.900 -0.078 0.000 0.983 308 G CA 0.708 45.787 45.100 -0.034 0.000 0.676 308 G HN 0.602 nan 8.290 nan 0.000 0.528 309 K N -0.114 120.216 120.400 -0.116 0.000 2.155 309 K HA 0.236 4.560 4.320 0.007 0.000 0.203 309 K C 2.317 178.806 176.600 -0.185 0.000 1.052 309 K CA 1.511 57.659 56.287 -0.232 0.000 0.948 309 K CB -0.318 32.019 32.500 -0.271 0.000 0.728 309 K HN 0.472 nan 8.250 nan 0.000 0.448 310 L N 0.790 121.968 121.223 -0.076 0.000 2.046 310 L HA -0.022 4.322 4.340 0.007 0.000 0.208 310 L C 1.838 178.701 176.870 -0.011 0.000 1.077 310 L CA 1.639 56.459 54.840 -0.033 0.000 0.747 310 L CB -0.375 41.724 42.059 0.066 0.000 0.896 310 L HN 0.250 nan 8.230 nan 0.000 0.432 311 I N -0.897 119.680 120.570 0.011 0.000 2.179 311 I HA -0.317 3.857 4.170 0.007 0.000 0.242 311 I C 2.587 178.729 176.117 0.042 0.000 1.088 311 I CA 1.547 62.882 61.300 0.058 0.000 1.357 311 I CB -0.366 37.667 38.000 0.055 0.000 1.051 311 I HN 0.473 nan 8.210 nan 0.000 0.409 312 Q N 0.927 120.703 119.800 -0.040 0.000 2.061 312 Q HA -0.277 4.067 4.340 0.007 0.000 0.204 312 Q C 2.346 178.326 176.000 -0.033 0.000 0.984 312 Q CA 1.939 57.702 55.803 -0.067 0.000 0.846 312 Q CB -0.150 28.476 28.738 -0.186 0.000 0.902 312 Q HN 0.416 nan 8.270 nan 0.000 0.421 313 L N 0.410 121.589 121.223 -0.072 0.000 2.012 313 L HA -0.183 4.161 4.340 0.007 0.000 0.210 313 L C 2.210 179.128 176.870 0.080 0.000 1.073 313 L CA 1.880 56.700 54.840 -0.033 0.000 0.748 313 L CB -0.418 41.496 42.059 -0.241 0.000 0.891 313 L HN 0.324 nan 8.230 nan 0.000 0.431 314 M N -0.579 119.134 119.600 0.189 0.000 2.159 314 M HA -0.186 4.298 4.480 0.007 0.000 0.263 314 M C 1.908 178.389 176.300 0.302 0.000 1.063 314 M CA 1.564 57.155 55.300 0.485 0.000 1.110 314 M CB -0.591 32.327 32.600 0.530 0.000 1.374 314 M HN 0.343 nan 8.290 nan 0.000 0.411 315 N N 0.809 119.607 118.700 0.163 0.000 2.106 315 N HA -0.164 4.580 4.740 0.007 0.000 0.188 315 N C 1.549 177.043 175.510 -0.026 0.000 1.029 315 N CA 1.719 54.794 53.050 0.041 0.000 0.848 315 N CB -0.480 38.044 38.487 0.062 0.000 1.007 315 N HN 0.600 nan 8.380 nan 0.000 0.423 316 E N 0.075 120.288 120.200 0.021 0.000 2.208 316 E HA -0.021 4.333 4.350 0.007 0.000 0.193 316 E C -0.026 176.576 176.600 0.002 0.000 0.988 316 E CA 0.540 56.949 56.400 0.015 0.000 0.828 316 E CB -0.435 29.292 29.700 0.046 0.000 0.763 316 E HN -0.034 nan 8.360 nan 0.000 0.478 317 T N 2.964 117.528 114.554 0.016 0.000 2.888 317 T HA 0.224 4.578 4.350 0.007 0.000 0.301 317 T C 0.313 174.985 174.700 -0.047 0.000 1.001 317 T CA -0.152 61.910 62.100 -0.064 0.000 1.147 317 T CB 1.262 69.997 68.868 -0.222 0.000 0.931 317 T HN 0.217 nan 8.240 nan 0.000 0.541 318 V N 0.967 120.847 119.914 -0.056 0.000 3.134 318 V HA 0.382 4.506 4.120 0.007 0.000 0.313 318 V C 1.025 177.181 176.094 0.104 0.000 1.069 318 V CA -0.732 61.575 62.300 0.011 0.000 1.048 318 V CB 0.906 32.724 31.823 -0.008 0.000 1.119 318 V HN 0.617 nan 8.190 nan 0.000 0.461 319 D N 2.538 123.015 120.400 0.130 0.000 2.133 319 D HA -0.107 4.537 4.640 0.007 0.000 0.195 319 D C 2.081 178.444 176.300 0.106 0.000 0.997 319 D CA 2.207 56.311 54.000 0.173 0.000 0.840 319 D CB -0.655 40.206 40.800 0.101 0.000 0.947 319 D HN 0.879 nan 8.370 nan 0.000 0.452 320 G N 0.737 109.554 108.800 0.028 0.000 2.440 320 G HA2 -0.252 3.712 3.960 0.007 0.000 0.218 320 G HA3 -0.252 3.712 3.960 0.007 0.000 0.218 320 G C 1.337 176.177 174.900 -0.101 0.000 1.154 320 G CA 0.886 45.977 45.100 -0.016 0.000 0.767 320 G HN 0.175 nan 8.290 nan 0.000 0.552 321 D N -0.371 119.915 120.400 -0.190 0.000 2.149 321 D HA -0.052 4.592 4.640 0.007 0.000 0.201 321 D C 2.071 177.812 176.300 -0.932 0.000 0.972 321 D CA 0.589 54.306 54.000 -0.471 0.000 0.835 321 D CB -0.250 40.304 40.800 -0.409 0.000 0.966 321 D HN 0.465 nan 8.370 nan 0.000 0.476 322 Y N 1.305 121.312 120.300 -0.487 0.000 2.224 322 Y HA -0.172 4.383 4.550 0.008 0.000 0.289 322 Y C 2.655 178.450 175.900 -0.175 0.000 1.146 322 Y CA 0.803 58.714 58.100 -0.315 0.000 1.182 322 Y CB 0.113 38.627 38.460 0.090 0.000 0.983 322 Y HN -0.086 nan 8.280 nan 0.000 0.524 323 Q N -0.452 119.374 119.800 0.043 0.000 2.119 323 Q HA -0.150 4.194 4.340 0.007 0.000 0.201 323 Q C 2.383 178.395 176.000 0.021 0.000 0.972 323 Q CA 1.961 57.802 55.803 0.063 0.000 0.847 323 Q CB -0.960 27.811 28.738 0.055 0.000 0.903 323 Q HN 0.629 nan 8.270 nan 0.000 0.433 324 T N -1.788 112.706 114.554 -0.099 0.000 2.788 324 T HA -0.086 4.268 4.350 0.007 0.000 0.268 324 T C 1.906 176.640 174.700 0.056 0.000 1.044 324 T CA 0.864 62.922 62.100 -0.071 0.000 1.139 324 T CB -0.737 68.066 68.868 -0.108 0.000 0.867 324 T HN 0.222 nan 8.240 nan 0.000 0.454 325 F N 2.141 122.171 119.950 0.133 0.000 2.091 325 F HA -0.074 4.457 4.527 0.006 0.000 0.299 325 F C 2.849 178.816 175.800 0.279 0.000 1.103 325 F CA 1.245 59.382 58.000 0.228 0.000 1.228 325 F CB -0.316 38.850 39.000 0.277 0.000 0.984 325 F HN 0.162 nan 8.300 nan 0.000 0.477 326 K N 1.045 121.690 120.400 0.407 0.000 2.218 326 K HA -0.207 4.117 4.320 0.007 0.000 0.205 326 K C 1.652 178.468 176.600 0.359 0.000 1.046 326 K CA 1.691 58.166 56.287 0.313 0.000 0.933 326 K CB -0.210 32.408 32.500 0.197 0.000 0.728 326 K HN 0.287 nan 8.250 nan 0.000 0.454 327 S N -0.784 115.055 115.700 0.232 0.000 2.597 327 S HA 0.170 4.644 4.470 0.007 0.000 0.224 327 S C 0.433 175.062 174.600 0.048 0.000 0.955 327 S CA -0.589 57.692 58.200 0.136 0.000 0.933 327 S CB 0.249 63.475 63.200 0.043 0.000 0.788 327 S HN 0.086 nan 8.310 nan 0.000 0.488 328 K N 1.726 122.175 120.400 0.081 0.000 2.989 328 K HA 0.490 4.814 4.320 0.007 0.000 0.260 328 K C -0.267 176.098 176.600 -0.392 0.000 0.982 328 K CA -0.207 55.978 56.287 -0.170 0.000 1.553 328 K CB -0.245 31.976 32.500 -0.466 0.000 3.152 328 K HN 0.487 nan 8.250 nan 0.000 0.970 329 D N -2.619 117.515 120.400 -0.443 0.000 2.759 329 D HA 0.187 4.832 4.640 0.007 0.000 0.321 329 D C 0.932 177.049 176.300 -0.305 0.000 1.267 329 D CA -0.336 53.058 54.000 -1.009 0.000 0.933 329 D CB 0.395 40.838 40.800 -0.596 0.000 1.431 329 D HN 0.338 nan 8.370 nan 0.000 0.504 330 G N 0.005 108.669 108.800 -0.226 0.000 2.440 330 G HA2 -0.144 3.820 3.960 0.007 0.000 0.218 330 G HA3 -0.144 3.820 3.960 0.007 0.000 0.218 330 G C 1.433 176.433 174.900 0.166 0.000 1.154 330 G CA 1.967 47.186 45.100 0.199 0.000 0.767 330 G HN 0.687 nan 8.290 nan 0.000 0.552 331 A N -0.100 122.770 122.820 0.083 0.000 1.902 331 A HA -0.061 4.263 4.320 0.007 0.000 0.217 331 A C 2.209 179.896 177.584 0.172 0.000 1.181 331 A CA 1.726 53.824 52.037 0.100 0.000 0.623 331 A CB -0.708 18.330 19.000 0.062 0.000 0.818 331 A HN 0.474 nan 8.150 nan 0.000 0.443 332 Y N 0.494 120.857 120.300 0.105 0.000 2.145 332 Y HA -0.202 4.351 4.550 0.005 0.000 0.286 332 Y C 2.438 178.486 175.900 0.247 0.000 1.145 332 Y CA 2.091 60.321 58.100 0.216 0.000 1.148 332 Y CB -0.217 38.322 38.460 0.131 0.000 0.981 332 Y HN 0.083 nan 8.280 nan 0.000 0.507 333 V N 0.938 121.073 119.914 0.368 0.000 2.343 333 V HA -0.338 3.786 4.120 0.007 0.000 0.247 333 V C 2.409 178.651 176.094 0.248 0.000 1.051 333 V CA 2.280 64.691 62.300 0.184 0.000 1.036 333 V CB -0.857 31.136 31.823 0.283 0.000 0.654 333 V HN 0.416 nan 8.190 nan 0.000 0.451 334 R N 0.780 121.437 120.500 0.261 0.000 2.091 334 R HA -0.248 4.096 4.340 0.007 0.000 0.238 334 R C 2.243 178.612 176.300 0.116 0.000 1.136 334 R CA 2.493 58.722 56.100 0.215 0.000 0.959 334 R CB -0.452 29.906 30.300 0.096 0.000 0.856 334 R HN 0.670 nan 8.270 nan 0.000 0.437 335 E N -1.068 119.142 120.200 0.016 0.000 2.033 335 E HA -0.164 4.190 4.350 0.007 0.000 0.189 335 E C 1.576 178.013 176.600 -0.271 0.000 0.979 335 E CA 1.188 57.495 56.400 -0.155 0.000 0.802 335 E CB -0.013 29.534 29.700 -0.255 0.000 0.763 335 E HN 0.614 nan 8.360 nan 0.000 0.449 336 H N -1.617 117.326 119.070 -0.213 0.000 2.512 336 H HA 0.080 4.639 4.556 0.005 0.000 0.279 336 H C 1.004 176.317 175.328 -0.024 0.000 0.999 336 H CA 1.154 57.107 56.048 -0.157 0.000 1.283 336 H CB 0.205 29.815 29.762 -0.253 0.000 1.421 336 H HN 0.187 nan 8.280 nan 0.000 0.554 337 F N -0.702 119.125 119.950 -0.205 0.000 2.403 337 F HA 0.107 4.637 4.527 0.006 0.000 0.263 337 F C 1.384 177.047 175.800 -0.228 0.000 1.020 337 F CA 0.226 58.037 58.000 -0.315 0.000 1.091 337 F CB -0.686 37.889 39.000 -0.707 0.000 1.141 337 F HN -0.055 nan 8.300 nan 0.000 0.633 338 F N 0.974 120.884 119.950 -0.065 0.000 2.269 338 F HA -0.006 4.525 4.527 0.006 0.000 0.301 338 F C 2.517 178.231 175.800 -0.144 0.000 1.082 338 F CA 1.219 59.125 58.000 -0.156 0.000 1.360 338 F CB -1.110 37.846 39.000 -0.073 0.000 1.041 338 F HN 0.183 nan 8.300 nan 0.000 0.512 339 G N -0.519 108.295 108.800 0.023 0.000 2.776 339 G HA2 -0.126 3.838 3.960 0.007 0.000 0.209 339 G HA3 -0.126 3.838 3.960 0.007 0.000 0.209 339 G C 1.739 176.542 174.900 -0.161 0.000 1.145 339 G CA 0.136 45.197 45.100 -0.065 0.000 0.791 339 G HN 0.079 nan 8.290 nan 0.000 0.530 340 K N -0.346 119.913 120.400 -0.236 0.000 2.211 340 K HA 0.017 4.341 4.320 0.007 0.000 0.203 340 K C -0.296 175.863 176.600 -0.735 0.000 1.050 340 K CA 0.676 56.674 56.287 -0.483 0.000 0.945 340 K CB -0.079 32.095 32.500 -0.543 0.000 0.732 340 K HN 0.470 nan 8.250 nan 0.000 0.451 341 Y N -0.890 119.350 120.300 -0.099 0.000 2.534 341 Y HA 0.170 4.724 4.550 0.008 0.000 0.345 341 Y C -1.752 174.118 175.900 -0.051 0.000 1.031 341 Y CA -2.115 55.941 58.100 -0.072 0.000 1.022 341 Y CB 1.993 40.406 38.460 -0.078 0.000 1.292 341 Y HN -0.197 nan 8.280 nan 0.000 0.459 342 P HA -0.187 nan 4.420 nan 0.000 0.217 342 P C 0.722 178.053 177.300 0.051 0.000 1.150 342 P CA 1.979 65.112 63.100 0.054 0.000 0.832 342 P CB 0.421 32.144 31.700 0.039 0.000 0.787 343 E N 0.539 120.776 120.200 0.062 0.000 2.072 343 E HA -0.139 4.216 4.350 0.007 0.000 0.191 343 E C 1.859 178.481 176.600 0.036 0.000 0.985 343 E CA 2.075 58.492 56.400 0.028 0.000 0.801 343 E CB -1.937 27.762 29.700 -0.001 0.000 0.750 343 E HN 0.354 nan 8.360 nan 0.000 0.452 344 T N -0.609 113.990 114.554 0.076 0.000 2.904 344 T HA 0.190 4.544 4.350 0.007 0.000 0.267 344 T C 2.172 176.953 174.700 0.135 0.000 1.059 344 T CA 1.080 63.251 62.100 0.119 0.000 1.137 344 T CB -0.186 68.744 68.868 0.103 0.000 0.879 344 T HN 0.254 nan 8.240 nan 0.000 0.467 345 A N 1.799 124.666 122.820 0.078 0.000 1.930 345 A HA 0.425 4.749 4.320 0.007 0.000 0.217 345 A C 2.761 180.316 177.584 -0.047 0.000 1.175 345 A CA 1.510 53.562 52.037 0.025 0.000 0.627 345 A CB -1.262 17.744 19.000 0.011 0.000 0.815 345 A HN 0.700 nan 8.150 nan 0.000 0.443 346 A N -0.204 122.598 122.820 -0.029 0.000 2.015 346 A HA 0.036 4.360 4.320 0.007 0.000 0.219 346 A C 2.065 179.598 177.584 -0.085 0.000 1.163 346 A CA 1.241 53.252 52.037 -0.043 0.000 0.646 346 A CB -0.550 18.441 19.000 -0.015 0.000 0.806 346 A HN 0.480 nan 8.150 nan 0.000 0.448 347 L N -0.335 120.815 121.223 -0.122 0.000 2.131 347 L HA -0.132 4.212 4.340 0.007 0.000 0.210 347 L C 1.970 178.564 176.870 -0.459 0.000 1.092 347 L CA 1.536 56.253 54.840 -0.206 0.000 0.759 347 L CB -0.364 41.593 42.059 -0.170 0.000 0.903 347 L HN 0.447 nan 8.230 nan 0.000 0.435 348 V N -5.244 114.300 119.914 -0.617 0.000 3.427 348 V HA 0.395 4.519 4.120 0.007 0.000 0.305 348 V C 2.059 177.986 176.094 -0.279 0.000 1.412 348 V CA 0.365 62.146 62.300 -0.865 0.000 1.086 348 V CB -0.085 30.940 31.823 -1.330 0.000 0.964 348 V HN 0.154 nan 8.190 nan 0.000 0.439 349 A N 2.455 125.188 122.820 -0.146 0.000 1.948 349 A HA -0.240 4.084 4.320 0.007 0.000 0.220 349 A C 1.836 179.443 177.584 0.039 0.000 1.177 349 A CA 2.223 54.235 52.037 -0.041 0.000 0.636 349 A CB -0.608 18.376 19.000 -0.027 0.000 0.815 349 A HN 0.800 nan 8.150 nan 0.000 0.449 350 D N -2.736 117.732 120.400 0.114 0.000 2.325 350 D HA 0.034 4.678 4.640 0.007 0.000 0.225 350 D C -0.301 176.128 176.300 0.215 0.000 1.096 350 D CA -0.286 53.798 54.000 0.141 0.000 0.844 350 D CB -0.228 40.644 40.800 0.120 0.000 0.925 350 D HN 0.472 nan 8.370 nan 0.000 0.513 351 W N 1.999 123.234 121.300 -0.108 0.000 2.512 351 W HA 0.353 5.017 4.660 0.007 0.000 0.335 351 W C 0.832 177.299 176.519 -0.086 0.000 1.088 351 W CA -0.846 56.430 57.345 -0.115 0.000 1.236 351 W CB 1.209 30.559 29.460 -0.183 0.000 1.307 351 W HN -0.223 nan 8.180 nan 0.000 0.567 352 T N -1.610 113.012 114.554 0.114 0.000 2.899 352 T HA 0.136 4.490 4.350 0.007 0.000 0.284 352 T C 0.754 175.522 174.700 0.114 0.000 1.004 352 T CA -0.511 61.631 62.100 0.070 0.000 1.043 352 T CB 1.234 70.111 68.868 0.015 0.000 1.013 352 T HN 0.376 nan 8.240 nan 0.000 0.518 353 D N 0.887 121.338 120.400 0.086 0.000 2.178 353 D HA -0.086 4.558 4.640 0.007 0.000 0.201 353 D C 1.854 178.248 176.300 0.158 0.000 0.980 353 D CA 1.268 55.333 54.000 0.108 0.000 0.842 353 D CB -0.058 40.777 40.800 0.058 0.000 0.948 353 D HN 0.709 nan 8.370 nan 0.000 0.472 354 E N 0.859 121.130 120.200 0.118 0.000 2.077 354 E HA -0.148 4.206 4.350 0.007 0.000 0.193 354 E C 2.181 178.892 176.600 0.184 0.000 0.989 354 E CA 0.828 57.319 56.400 0.150 0.000 0.800 354 E CB -0.233 29.512 29.700 0.075 0.000 0.746 354 E HN 0.391 nan 8.360 nan 0.000 0.452 355 Q N -0.058 119.815 119.800 0.121 0.000 2.124 355 Q HA -0.100 4.244 4.340 0.007 0.000 0.202 355 Q C 2.240 178.420 176.000 0.299 0.000 0.977 355 Q CA 1.047 56.902 55.803 0.086 0.000 0.850 355 Q CB -0.136 28.532 28.738 -0.118 0.000 0.901 355 Q HN 0.351 nan 8.270 nan 0.000 0.429 356 I N -0.321 120.465 120.570 0.361 0.000 2.252 356 I HA -0.248 3.926 4.170 0.007 0.000 0.245 356 I C 2.136 178.436 176.117 0.304 0.000 1.102 356 I CA 0.933 62.404 61.300 0.284 0.000 1.385 356 I CB -0.373 37.729 38.000 0.171 0.000 1.064 356 I HN 0.470 nan 8.210 nan 0.000 0.414 357 W N 1.794 123.163 121.300 0.116 0.000 2.392 357 W HA -0.165 4.500 4.660 0.008 0.000 0.279 357 W C 2.267 178.851 176.519 0.108 0.000 1.225 357 W CA 1.055 58.468 57.345 0.113 0.000 1.233 357 W CB 0.213 29.725 29.460 0.087 0.000 1.122 357 W HN 0.122 nan 8.180 nan 0.000 0.561 358 A N 0.626 123.524 122.820 0.131 0.000 2.168 358 A HA 0.026 4.350 4.320 0.007 0.000 0.215 358 A C 1.019 178.611 177.584 0.013 0.000 1.152 358 A CA 0.262 52.310 52.037 0.018 0.000 0.716 358 A CB -0.797 18.230 19.000 0.045 0.000 0.794 358 A HN 0.171 nan 8.150 nan 0.000 0.465 359 L N 2.294 123.528 121.223 0.019 0.000 2.540 359 L HA 0.007 4.351 4.340 0.007 0.000 0.276 359 L C 0.049 177.069 176.870 0.250 0.000 1.212 359 L CA -0.235 54.592 54.840 -0.021 0.000 0.893 359 L CB -0.008 41.845 42.059 -0.344 0.000 1.138 359 L HN 0.578 nan 8.230 nan 0.000 0.491 360 N N 4.045 123.018 118.700 0.455 0.000 2.362 360 N HA 0.402 5.146 4.740 0.007 0.000 0.299 360 N C -0.767 175.093 175.510 0.583 0.000 1.170 360 N CA -0.969 52.345 53.050 0.440 0.000 0.825 360 N CB 1.344 40.007 38.487 0.293 0.000 1.299 360 N HN 0.416 nan 8.380 nan 0.000 0.502 361 R N -0.401 120.294 120.500 0.325 0.000 2.441 361 R HA 0.271 4.615 4.340 0.007 0.000 0.284 361 R C 1.517 177.851 176.300 0.056 0.000 1.070 361 R CA -0.167 55.977 56.100 0.073 0.000 1.047 361 R CB 0.662 30.782 30.300 -0.300 0.000 1.016 361 R HN 0.873 nan 8.270 nan 0.000 0.477 362 G N 2.132 110.897 108.800 -0.059 0.000 2.503 362 G HA2 -0.301 3.663 3.960 0.007 0.000 0.221 362 G HA3 -0.301 3.663 3.960 0.007 0.000 0.221 362 G C 1.275 176.122 174.900 -0.089 0.000 1.131 362 G CA 0.973 46.044 45.100 -0.047 0.000 0.756 362 G HN 0.763 nan 8.290 nan 0.000 0.572 363 G N -1.230 107.443 108.800 -0.212 0.000 2.653 363 G HA2 -0.040 3.924 3.960 0.007 0.000 0.212 363 G HA3 -0.040 3.924 3.960 0.007 0.000 0.212 363 G C 1.188 175.824 174.900 -0.440 0.000 1.138 363 G CA 0.544 45.458 45.100 -0.311 0.000 0.782 363 G HN 0.584 nan 8.290 nan 0.000 0.535 364 H N -0.870 118.124 119.070 -0.127 0.000 2.755 364 H HA 0.121 4.681 4.556 0.007 0.000 0.273 364 H C -0.475 174.834 175.328 -0.031 0.000 1.055 364 H CA -0.290 55.664 56.048 -0.157 0.000 1.191 364 H CB 1.133 30.734 29.762 -0.268 0.000 1.536 364 H HN 0.252 nan 8.280 nan 0.000 0.529 365 D N 1.516 121.963 120.400 0.079 0.000 2.392 365 D HA 0.145 4.789 4.640 0.007 0.000 0.228 365 D C -1.896 174.420 176.300 0.027 0.000 1.074 365 D CA -2.223 51.819 54.000 0.070 0.000 0.838 365 D CB 2.289 43.151 40.800 0.103 0.000 1.067 365 D HN -0.027 nan 8.370 nan 0.000 0.511 366 P HA -0.159 nan 4.420 nan 0.000 0.216 366 P C 1.007 178.261 177.300 -0.078 0.000 1.150 366 P CA 1.408 64.454 63.100 -0.091 0.000 0.843 366 P CB 0.413 31.918 31.700 -0.326 0.000 0.787 367 K N -0.536 119.779 120.400 -0.141 0.000 2.057 367 K HA -0.097 4.227 4.320 0.007 0.000 0.206 367 K C 1.924 178.634 176.600 0.184 0.000 1.050 367 K CA 1.075 57.382 56.287 0.032 0.000 0.935 367 K CB -0.195 32.307 32.500 0.003 0.000 0.715 367 K HN 0.057 nan 8.250 nan 0.000 0.439 368 K N 0.962 121.436 120.400 0.124 0.000 2.103 368 K HA -0.023 4.301 4.320 0.007 0.000 0.204 368 K C 2.115 178.791 176.600 0.126 0.000 1.052 368 K CA 1.033 57.389 56.287 0.114 0.000 0.945 368 K CB -0.285 32.259 32.500 0.073 0.000 0.722 368 K HN 0.180 nan 8.250 nan 0.000 0.443 369 I N 0.063 120.725 120.570 0.153 0.000 2.142 369 I HA -0.315 3.859 4.170 0.007 0.000 0.240 369 I C 2.437 178.756 176.117 0.336 0.000 1.078 369 I CA 1.279 62.706 61.300 0.211 0.000 1.343 369 I CB -0.401 37.712 38.000 0.189 0.000 1.046 369 I HN 0.021 nan 8.210 nan 0.000 0.405 370 Y N 1.781 122.260 120.300 0.298 0.000 2.114 370 Y HA -0.359 4.195 4.550 0.007 0.000 0.282 370 Y C 2.539 178.628 175.900 0.316 0.000 1.165 370 Y CA 1.650 59.995 58.100 0.408 0.000 1.148 370 Y CB -0.447 38.308 38.460 0.492 0.000 0.972 370 Y HN 0.148 nan 8.280 nan 0.000 0.504 371 A N 0.351 123.353 122.820 0.304 0.000 1.908 371 A HA -0.194 4.130 4.320 0.007 0.000 0.218 371 A C 2.428 180.015 177.584 0.005 0.000 1.181 371 A CA 2.208 54.337 52.037 0.153 0.000 0.627 371 A CB -1.554 17.541 19.000 0.159 0.000 0.818 371 A HN 0.636 nan 8.150 nan 0.000 0.445 372 A N -1.326 121.478 122.820 -0.028 0.000 1.873 372 A HA 0.039 4.363 4.320 0.007 0.000 0.215 372 A C 1.958 179.348 177.584 -0.323 0.000 1.186 372 A CA 1.473 53.399 52.037 -0.185 0.000 0.616 372 A CB -0.725 18.122 19.000 -0.256 0.000 0.823 372 A HN 0.464 nan 8.150 nan 0.000 0.442 373 F N -0.177 119.539 119.950 -0.390 0.000 2.234 373 F HA -0.050 4.481 4.527 0.007 0.000 0.299 373 F C 2.252 177.761 175.800 -0.486 0.000 1.087 373 F CA 1.681 59.282 58.000 -0.664 0.000 1.340 373 F CB -0.044 38.073 39.000 -1.471 0.000 1.031 373 F HN 0.096 nan 8.300 nan 0.000 0.500 374 K N 0.997 121.324 120.400 -0.123 0.000 2.097 374 K HA -0.151 4.173 4.320 0.007 0.000 0.205 374 K C 2.035 178.637 176.600 0.003 0.000 1.050 374 K CA 1.291 57.603 56.287 0.042 0.000 0.938 374 K CB -0.241 32.186 32.500 -0.122 0.000 0.718 374 K HN 0.072 nan 8.250 nan 0.000 0.442 375 K N -0.449 119.918 120.400 -0.055 0.000 2.097 375 K HA -0.046 4.278 4.320 0.007 0.000 0.205 375 K C 1.874 178.428 176.600 -0.077 0.000 1.050 375 K CA 1.149 57.404 56.287 -0.054 0.000 0.938 375 K CB -0.177 32.284 32.500 -0.066 0.000 0.718 375 K HN 0.159 nan 8.250 nan 0.000 0.442 376 A N 1.193 123.935 122.820 -0.130 0.000 1.933 376 A HA -0.235 4.089 4.320 0.007 0.000 0.218 376 A C 2.044 179.579 177.584 -0.083 0.000 1.175 376 A CA 1.620 53.571 52.037 -0.144 0.000 0.628 376 A CB -0.607 18.255 19.000 -0.230 0.000 0.814 376 A HN 0.549 nan 8.150 nan 0.000 0.444 377 Q N -0.440 119.349 119.800 -0.018 0.000 2.226 377 Q HA -0.199 4.146 4.340 0.007 0.000 0.204 377 Q C 1.477 177.485 176.000 0.013 0.000 0.975 377 Q CA 1.717 57.546 55.803 0.043 0.000 0.866 377 Q CB -0.064 28.773 28.738 0.165 0.000 0.915 377 Q HN 0.822 nan 8.270 nan 0.000 0.440 378 E N -0.643 119.555 120.200 -0.004 0.000 2.447 378 E HA 0.039 4.393 4.350 0.007 0.000 0.195 378 E C -0.162 176.417 176.600 -0.034 0.000 1.028 378 E CA 0.161 56.555 56.400 -0.010 0.000 0.876 378 E CB 0.541 30.240 29.700 -0.002 0.000 0.885 378 E HN 0.094 nan 8.360 nan 0.000 0.500 379 T N 2.696 117.217 114.554 -0.055 0.000 2.779 379 T HA 0.155 4.509 4.350 0.007 0.000 0.296 379 T C 0.057 174.704 174.700 -0.087 0.000 0.938 379 T CA -0.099 61.957 62.100 -0.073 0.000 1.119 379 T CB 0.664 69.477 68.868 -0.093 0.000 0.891 379 T HN -0.126 nan 8.240 nan 0.000 0.526 380 K N 1.312 121.664 120.400 -0.079 0.000 2.295 380 K HA 0.687 5.011 4.320 0.007 0.000 0.239 380 K C 1.221 177.762 176.600 -0.099 0.000 0.991 380 K CA -0.632 55.603 56.287 -0.087 0.000 0.845 380 K CB 1.620 34.083 32.500 -0.062 0.000 1.197 380 K HN 0.711 nan 8.250 nan 0.000 0.441 381 G N 0.591 109.327 108.800 -0.108 0.000 2.268 381 G HA2 -0.298 3.666 3.960 0.007 0.000 0.240 381 G HA3 -0.298 3.666 3.960 0.007 0.000 0.240 381 G C -0.314 174.490 174.900 -0.160 0.000 1.010 381 G CA 0.969 46.002 45.100 -0.113 0.000 0.618 381 G HN 0.592 nan 8.290 nan 0.000 0.516 382 K N -1.082 119.193 120.400 -0.210 0.000 2.672 382 K HA 0.822 5.146 4.320 0.007 0.000 0.295 382 K C -0.266 176.081 176.600 -0.423 0.000 1.042 382 K CA -0.060 56.032 56.287 -0.324 0.000 0.869 382 K CB 0.181 32.506 32.500 -0.291 0.000 1.541 382 K HN 1.435 nan 8.250 nan 0.000 0.396 383 A N 0.250 122.630 122.820 -0.734 0.000 2.304 383 A HA 0.666 4.990 4.320 0.007 0.000 0.271 383 A C -0.575 176.711 177.584 -0.496 0.000 1.091 383 A CA -0.159 51.361 52.037 -0.861 0.000 0.812 383 A CB 0.276 18.227 19.000 -1.748 0.000 1.056 383 A HN 0.549 nan 8.150 nan 0.000 0.489 384 T N 0.792 115.201 114.554 -0.241 0.000 2.829 384 T HA 0.533 4.888 4.350 0.007 0.000 0.280 384 T C -0.734 174.031 174.700 0.108 0.000 0.999 384 T CA -0.278 61.805 62.100 -0.029 0.000 0.983 384 T CB 1.300 70.086 68.868 -0.137 0.000 0.968 384 T HN 0.445 nan 8.240 nan 0.000 0.446 385 V N 4.435 124.386 119.914 0.062 0.000 2.448 385 V HA 0.504 4.628 4.120 0.007 0.000 0.295 385 V C -0.259 175.669 176.094 -0.277 0.000 1.025 385 V CA -0.814 61.387 62.300 -0.166 0.000 0.859 385 V CB 1.562 33.022 31.823 -0.605 0.000 0.988 385 V HN 0.792 nan 8.190 nan 0.000 0.431 386 I N 5.742 126.109 120.570 -0.339 0.000 2.321 386 I HA 0.370 4.544 4.170 0.007 0.000 0.291 386 I C -0.460 175.441 176.117 -0.361 0.000 0.998 386 I CA -0.360 60.703 61.300 -0.396 0.000 1.227 386 I CB 1.346 38.995 38.000 -0.586 0.000 1.368 386 I HN 0.377 nan 8.210 nan 0.000 0.466 387 L N 7.091 128.118 121.223 -0.326 0.000 2.288 387 L HA 0.491 4.835 4.340 0.007 0.000 0.283 387 L C 0.406 177.105 176.870 -0.284 0.000 1.072 387 L CA -0.428 54.231 54.840 -0.301 0.000 0.862 387 L CB 0.790 42.672 42.059 -0.294 0.000 1.245 387 L HN 0.625 nan 8.230 nan 0.000 0.432 388 A N 2.837 125.508 122.820 -0.248 0.000 2.279 388 A HA 0.213 4.537 4.320 0.007 0.000 0.306 388 A C -0.243 177.231 177.584 -0.183 0.000 1.300 388 A CA -0.354 51.552 52.037 -0.218 0.000 0.925 388 A CB -0.158 18.730 19.000 -0.187 0.000 1.152 388 A HN 0.757 nan 8.150 nan 0.000 0.544 389 H N 2.954 121.805 119.070 -0.365 0.000 2.878 389 H HA 0.357 4.917 4.556 0.006 0.000 0.290 389 H C 0.369 175.503 175.328 -0.323 0.000 1.065 389 H CA 0.853 56.665 56.048 -0.392 0.000 1.477 389 H CB 0.538 29.929 29.762 -0.618 0.000 1.484 389 H HN 0.795 nan 8.280 nan 0.000 0.504 390 T N 2.335 116.722 114.554 -0.278 0.000 2.838 390 T HA 0.444 4.798 4.350 0.007 0.000 0.292 390 T C -0.332 174.338 174.700 -0.049 0.000 1.113 390 T CA -0.998 60.934 62.100 -0.281 0.000 1.008 390 T CB 1.525 70.182 68.868 -0.352 0.000 1.259 390 T HN 0.413 nan 8.240 nan 0.000 0.520 391 I N 2.151 122.892 120.570 0.285 0.000 2.330 391 I HA 0.363 4.537 4.170 0.007 0.000 0.289 391 I C 1.325 177.591 176.117 0.249 0.000 1.001 391 I CA -0.923 60.514 61.300 0.229 0.000 1.193 391 I CB 1.858 40.016 38.000 0.264 0.000 1.345 391 I HN 0.846 nan 8.210 nan 0.000 0.461 392 K N 5.657 126.164 120.400 0.178 0.000 1.977 392 K HA -0.134 4.190 4.320 0.007 0.000 0.218 392 K C 1.432 178.165 176.600 0.222 0.000 1.051 392 K CA 1.979 58.376 56.287 0.183 0.000 0.953 392 K CB -0.430 32.160 32.500 0.151 0.000 0.727 392 K HN 0.746 nan 8.250 nan 0.000 0.445 393 G N -0.081 108.839 108.800 0.201 0.000 3.530 393 G HA2 -0.036 3.928 3.960 0.007 0.000 0.269 393 G HA3 -0.036 3.928 3.960 0.007 0.000 0.269 393 G C 0.340 175.381 174.900 0.236 0.000 1.314 393 G CA -0.148 45.072 45.100 0.200 0.000 1.441 393 G HN 0.376 nan 8.290 nan 0.000 0.595 394 Y N 1.725 122.105 120.300 0.134 0.000 1.589 394 Y HA -0.363 4.191 4.550 0.007 0.000 0.151 394 Y C 2.463 178.450 175.900 0.145 0.000 0.847 394 Y CA 2.185 60.339 58.100 0.090 0.000 0.746 394 Y CB -0.818 37.710 38.460 0.114 0.000 0.713 394 Y HN 0.211 nan 8.280 nan 0.000 0.659 395 G N 0.289 109.108 108.800 0.032 0.000 2.552 395 G HA2 -0.321 3.643 3.960 0.007 0.000 0.216 395 G HA3 -0.321 3.643 3.960 0.007 0.000 0.216 395 G C 1.663 176.675 174.900 0.186 0.000 1.240 395 G CA 2.185 47.326 45.100 0.069 0.000 0.796 395 G HN 0.679 nan 8.290 nan 0.000 0.568 396 M N 0.304 120.063 119.600 0.264 0.000 2.195 396 M HA -0.050 4.434 4.480 0.007 0.000 0.254 396 M C 2.218 178.518 176.300 0.000 0.000 1.083 396 M CA 2.022 57.411 55.300 0.148 0.000 1.069 396 M CB -1.601 31.076 32.600 0.128 0.000 1.364 396 M HN 0.587 nan 8.290 nan 0.000 0.403 397 G N 2.888 111.729 108.800 0.068 0.000 2.805 397 G HA2 -0.498 3.466 3.960 0.007 0.000 0.360 397 G HA3 -0.498 3.466 3.960 0.007 0.000 0.360 397 G C 0.616 175.518 174.900 0.003 0.000 1.164 397 G CA 1.505 46.639 45.100 0.058 0.000 0.954 397 G HN 0.810 nan 8.290 nan 0.000 0.597 398 D N 1.841 122.185 120.400 -0.092 0.000 2.280 398 D HA 0.019 4.663 4.640 0.007 0.000 0.206 398 D C 2.265 178.530 176.300 -0.059 0.000 0.988 398 D CA 2.478 56.429 54.000 -0.081 0.000 0.886 398 D CB -0.562 40.150 40.800 -0.147 0.000 0.914 398 D HN 0.897 nan 8.370 nan 0.000 0.473 399 A N 1.593 124.373 122.820 -0.067 0.000 1.908 399 A HA 0.479 4.804 4.320 0.007 0.000 0.217 399 A C 1.374 178.978 177.584 0.033 0.000 1.378 399 A CA 1.736 53.764 52.037 -0.015 0.000 0.613 399 A CB -0.814 18.180 19.000 -0.010 0.000 1.053 399 A HN 0.884 nan 8.150 nan 0.000 0.484 415 D N 0.798 121.218 120.400 0.033 0.000 2.423 415 D HA 0.340 4.984 4.640 0.007 0.000 0.208 415 D C 1.970 178.318 176.300 0.080 0.000 1.068 415 D CA 1.196 55.233 54.000 0.061 0.000 0.860 415 D CB 0.424 41.254 40.800 0.050 0.000 0.992 415 D HN 0.521 nan 8.370 nan 0.000 0.504 416 G N 0.395 109.231 108.800 0.060 0.000 2.625 416 G HA2 -0.135 3.829 3.960 0.007 0.000 0.214 416 G HA3 -0.135 3.829 3.960 0.007 0.000 0.214 416 G C 1.534 176.501 174.900 0.110 0.000 1.132 416 G CA 1.098 46.241 45.100 0.071 0.000 0.782 416 G HN 0.342 nan 8.290 nan 0.000 0.538 417 V N -0.404 119.577 119.914 0.111 0.000 3.461 417 V HA 0.066 4.190 4.120 0.007 0.000 0.267 417 V C 2.457 178.726 176.094 0.291 0.000 1.186 417 V CA 1.147 63.538 62.300 0.152 0.000 1.154 417 V CB -0.411 31.424 31.823 0.021 0.000 0.802 417 V HN 0.536 nan 8.190 nan 0.000 0.474 418 R N 0.008 120.656 120.500 0.247 0.000 2.189 418 R HA -0.194 4.150 4.340 0.007 0.000 0.223 418 R C 2.311 178.741 176.300 0.216 0.000 1.092 418 R CA 1.658 57.898 56.100 0.234 0.000 0.989 418 R CB -1.084 29.306 30.300 0.151 0.000 0.876 418 R HN 0.672 nan 8.270 nan 0.000 0.457 419 H N 1.750 120.894 119.070 0.124 0.000 2.389 419 H HA -0.022 4.538 4.556 0.007 0.000 0.299 419 H C 1.788 177.189 175.328 0.121 0.000 1.081 419 H CA 1.473 57.575 56.048 0.090 0.000 1.345 419 H CB 0.232 30.035 29.762 0.069 0.000 1.393 419 H HN 0.184 nan 8.280 nan 0.000 0.520 420 I N 1.855 122.684 120.570 0.431 0.000 2.202 420 I HA -0.248 3.926 4.170 0.007 0.000 0.242 420 I C 2.830 179.243 176.117 0.493 0.000 1.091 420 I CA 1.458 63.052 61.300 0.490 0.000 1.368 420 I CB -1.037 37.233 38.000 0.450 0.000 1.058 420 I HN 0.339 nan 8.210 nan 0.000 0.410 421 R N 0.942 121.714 120.500 0.452 0.000 2.115 421 R HA -0.106 4.238 4.340 0.007 0.000 0.230 421 R C 1.616 177.987 176.300 0.118 0.000 1.111 421 R CA 1.391 57.669 56.100 0.297 0.000 0.976 421 R CB -0.542 29.826 30.300 0.114 0.000 0.870 421 R HN 0.267 nan 8.270 nan 0.000 0.445 422 D N 1.677 122.104 120.400 0.046 0.000 2.097 422 D HA -0.163 4.481 4.640 0.007 0.000 0.195 422 D C 2.118 178.341 176.300 -0.130 0.000 0.989 422 D CA 1.753 55.719 54.000 -0.056 0.000 0.827 422 D CB -0.162 40.578 40.800 -0.100 0.000 0.966 422 D HN 0.498 nan 8.370 nan 0.000 0.456 423 R N -0.116 120.234 120.500 -0.250 0.000 2.189 423 R HA -0.028 4.316 4.340 0.007 0.000 0.218 423 R C 1.308 177.303 176.300 -0.509 0.000 1.074 423 R CA 0.876 56.709 56.100 -0.444 0.000 0.991 423 R CB -0.494 29.406 30.300 -0.667 0.000 0.883 423 R HN 0.152 nan 8.270 nan 0.000 0.457 424 F N 1.455 121.407 119.950 0.004 0.000 2.654 424 F HA 0.317 4.848 4.527 0.007 0.000 0.303 424 F C -0.144 175.674 175.800 0.030 0.000 1.099 424 F CA -0.832 57.195 58.000 0.046 0.000 1.270 424 F CB 0.308 39.376 39.000 0.114 0.000 1.024 424 F HN -0.066 nan 8.300 nan 0.000 0.548 425 N N 1.297 120.055 118.700 0.096 0.000 2.686 425 N HA -0.169 4.575 4.740 0.007 0.000 0.261 425 N C -0.619 174.909 175.510 0.029 0.000 1.001 425 N CA 0.316 53.390 53.050 0.040 0.000 0.764 425 N CB -1.155 37.351 38.487 0.031 0.000 0.898 425 N HN 0.025 nan 8.380 nan 0.000 0.544 426 V N 1.928 121.834 119.914 -0.013 0.000 2.488 426 V HA 0.176 4.300 4.120 0.007 0.000 0.277 426 V C -1.261 174.675 176.094 -0.263 0.000 1.046 426 V CA -1.058 61.135 62.300 -0.178 0.000 0.986 426 V CB 1.278 32.862 31.823 -0.398 0.000 0.989 426 V HN 0.181 nan 8.190 nan 0.000 0.475 427 P HA 0.209 nan 4.420 nan 0.000 0.263 427 P C -0.781 176.360 177.300 -0.266 0.000 1.601 427 P CA 0.344 63.329 63.100 -0.193 0.000 1.161 427 P CB 0.800 32.429 31.700 -0.118 0.000 1.730 428 V N 2.977 122.740 119.914 -0.252 0.000 2.818 428 V HA 0.190 4.314 4.120 0.007 0.000 0.283 428 V C -0.108 175.915 176.094 -0.118 0.000 1.366 428 V CA -0.382 61.789 62.300 -0.215 0.000 0.934 428 V CB 1.771 33.375 31.823 -0.366 0.000 1.100 428 V HN 0.561 nan 8.190 nan 0.000 0.447 429 S N 3.625 119.290 115.700 -0.059 0.000 2.589 429 S HA 0.245 4.719 4.470 0.007 0.000 0.265 429 S C 0.556 175.160 174.600 0.007 0.000 1.342 429 S CA 0.438 58.625 58.200 -0.023 0.000 1.005 429 S CB 0.874 64.066 63.200 -0.014 0.000 0.909 429 S HN 0.823 nan 8.310 nan 0.000 0.555 430 D N 0.635 121.047 120.400 0.020 0.000 2.363 430 D HA 0.198 4.842 4.640 0.007 0.000 0.226 430 D C 1.546 177.868 176.300 0.036 0.000 1.020 430 D CA 0.879 54.904 54.000 0.041 0.000 0.892 430 D CB -0.535 40.288 40.800 0.038 0.000 0.900 430 D HN 0.620 nan 8.370 nan 0.000 0.531 431 A N 0.705 123.540 122.820 0.024 0.000 2.030 431 A HA 0.007 4.331 4.320 0.007 0.000 0.215 431 A C 0.999 178.598 177.584 0.024 0.000 1.164 431 A CA 0.626 52.675 52.037 0.020 0.000 0.697 431 A CB 0.060 19.067 19.000 0.011 0.000 0.827 431 A HN 0.208 nan 8.150 nan 0.000 0.457 432 D N -1.297 119.122 120.400 0.031 0.000 2.479 432 D HA 0.239 4.883 4.640 0.007 0.000 0.218 432 D C 1.046 177.389 176.300 0.072 0.000 1.177 432 D CA -0.265 53.757 54.000 0.037 0.000 0.830 432 D CB 0.007 40.822 40.800 0.025 0.000 1.014 432 D HN 0.377 nan 8.370 nan 0.000 0.503 433 I N 0.893 121.520 120.570 0.095 0.000 2.353 433 I HA -0.187 3.987 4.170 0.007 0.000 0.248 433 I C 1.507 177.681 176.117 0.096 0.000 1.119 433 I CA 1.036 62.434 61.300 0.164 0.000 1.417 433 I CB 0.010 38.119 38.000 0.182 0.000 1.078 433 I HN -0.085 nan 8.210 nan 0.000 0.421 434 E N 0.943 121.176 120.200 0.054 0.000 2.209 434 E HA -0.242 4.112 4.350 0.007 0.000 0.196 434 E C 1.925 178.525 176.600 -0.000 0.000 0.993 434 E CA 0.836 57.249 56.400 0.021 0.000 0.819 434 E CB -0.295 29.415 29.700 0.016 0.000 0.745 434 E HN 0.319 nan 8.360 nan 0.000 0.477 435 K N 0.994 121.399 120.400 0.008 0.000 2.432 435 K HA 0.003 4.327 4.320 0.007 0.000 0.196 435 K C -0.031 176.534 176.600 -0.058 0.000 1.038 435 K CA 0.188 56.465 56.287 -0.017 0.000 0.986 435 K CB -0.022 32.477 32.500 -0.001 0.000 0.782 435 K HN 0.168 nan 8.250 nan 0.000 0.485 436 L N 1.381 122.580 121.223 -0.041 0.000 3.677 436 L HA -0.159 4.185 4.340 0.007 0.000 0.464 436 L C -2.232 174.508 176.870 -0.215 0.000 1.278 436 L CA -0.478 54.279 54.840 -0.137 0.000 0.806 436 L CB -1.518 40.401 42.059 -0.235 0.000 1.610 436 L HN 0.201 nan 8.230 nan 0.000 0.867 437 P HA 0.111 nan 4.420 nan 0.000 0.275 437 P C -0.404 176.948 177.300 0.086 0.000 1.228 437 P CA -0.001 63.088 63.100 -0.019 0.000 0.786 437 P CB 0.598 32.347 31.700 0.082 0.000 0.927 438 Y N 1.000 121.395 120.300 0.158 0.000 2.307 438 Y HA 0.349 4.903 4.550 0.007 0.000 0.324 438 Y C 1.162 177.196 175.900 0.224 0.000 1.238 438 Y CA -0.576 57.632 58.100 0.181 0.000 1.280 438 Y CB 0.808 39.260 38.460 -0.013 0.000 1.248 438 Y HN 0.130 nan 8.280 nan 0.000 0.508 439 I N 2.247 123.073 120.570 0.427 0.000 2.377 439 I HA 0.352 4.526 4.170 0.007 0.000 0.293 439 I C -0.337 175.795 176.117 0.024 0.000 0.987 439 I CA -0.427 60.935 61.300 0.104 0.000 1.185 439 I CB 1.619 39.577 38.000 -0.069 0.000 1.341 439 I HN 0.655 nan 8.210 nan 0.000 0.455 440 T N 2.200 116.651 114.554 -0.173 0.000 2.903 440 T HA 0.602 4.956 4.350 0.007 0.000 0.299 440 T C -0.852 173.618 174.700 -0.385 0.000 1.093 440 T CA -0.687 61.261 62.100 -0.252 0.000 1.002 440 T CB 1.452 70.246 68.868 -0.123 0.000 1.127 440 T HN 0.169 nan 8.240 nan 0.000 0.488 441 F N 3.096 123.082 119.950 0.059 0.000 2.388 441 F HA 0.468 4.999 4.527 0.007 0.000 0.358 441 F C -1.791 174.053 175.800 0.073 0.000 1.122 441 F CA -2.194 55.860 58.000 0.089 0.000 1.056 441 F CB 1.673 40.757 39.000 0.140 0.000 1.155 441 F HN 0.406 nan 8.300 nan 0.000 0.461 442 P HA -0.024 nan 4.420 nan 0.000 0.271 442 P C -0.453 176.729 177.300 -0.196 0.000 1.218 442 P CA -0.287 62.803 63.100 -0.017 0.000 0.780 442 P CB 0.912 32.609 31.700 -0.004 0.000 0.901 443 E N 1.052 120.973 120.200 -0.466 0.000 2.529 443 E HA 0.141 4.495 4.350 0.007 0.000 0.259 443 E C 1.072 177.500 176.600 -0.287 0.000 0.966 443 E CA 1.009 56.942 56.400 -0.777 0.000 0.937 443 E CB -0.519 28.889 29.700 -0.487 0.000 0.923 443 E HN 0.792 nan 8.360 nan 0.000 0.468 444 G N 3.112 111.821 108.800 -0.151 0.000 2.259 444 G HA2 -0.306 3.658 3.960 0.007 0.000 0.217 444 G HA3 -0.306 3.658 3.960 0.007 0.000 0.217 444 G C 0.232 175.154 174.900 0.038 0.000 1.001 444 G CA 0.145 45.233 45.100 -0.019 0.000 0.627 444 G HN 0.903 nan 8.290 nan 0.000 0.501 445 S N 0.323 116.059 115.700 0.060 0.000 2.584 445 S HA 0.477 4.951 4.470 0.007 0.000 0.270 445 S C 1.069 175.727 174.600 0.096 0.000 1.346 445 S CA 0.775 59.032 58.200 0.095 0.000 1.018 445 S CB 2.018 65.315 63.200 0.161 0.000 0.899 445 S HN 0.465 nan 8.310 nan 0.000 0.542 446 E N 0.757 120.989 120.200 0.052 0.000 2.110 446 E HA -0.199 4.156 4.350 0.007 0.000 0.193 446 E C 1.488 178.085 176.600 -0.005 0.000 0.988 446 E CA 1.490 57.910 56.400 0.032 0.000 0.804 446 E CB -0.093 29.608 29.700 0.001 0.000 0.745 446 E HN 0.816 nan 8.360 nan 0.000 0.458 447 E N -0.288 119.829 120.200 -0.137 0.000 2.047 447 E HA -0.196 4.158 4.350 0.007 0.000 0.191 447 E C 1.961 178.437 176.600 -0.207 0.000 0.987 447 E CA 1.246 57.402 56.400 -0.406 0.000 0.799 447 E CB -0.402 28.524 29.700 -1.289 0.000 0.752 447 E HN 0.330 nan 8.360 nan 0.000 0.449 448 H N 0.411 119.421 119.070 -0.100 0.000 2.319 448 H HA -0.096 4.464 4.556 0.007 0.000 0.299 448 H C 1.673 177.104 175.328 0.172 0.000 1.092 448 H CA 2.030 58.144 56.048 0.110 0.000 1.302 448 H CB -0.040 29.839 29.762 0.194 0.000 1.373 448 H HN 0.133 nan 8.280 nan 0.000 0.497 449 T N 0.382 115.105 114.554 0.283 0.000 2.684 449 T HA -0.209 4.145 4.350 0.007 0.000 0.267 449 T C 1.794 176.560 174.700 0.110 0.000 1.036 449 T CA 1.680 63.904 62.100 0.207 0.000 1.148 449 T CB -0.729 68.237 68.868 0.164 0.000 0.863 449 T HN 0.428 nan 8.240 nan 0.000 0.436 450 Y N 1.307 121.590 120.300 -0.028 0.000 2.163 450 Y HA -0.074 4.480 4.550 0.007 0.000 0.288 450 Y C 2.204 178.042 175.900 -0.103 0.000 1.136 450 Y CA 0.965 59.026 58.100 -0.064 0.000 1.147 450 Y CB -0.491 37.918 38.460 -0.084 0.000 0.987 450 Y HN 0.090 nan 8.280 nan 0.000 0.509 451 L N -0.139 121.090 121.223 0.010 0.000 1.997 451 L HA -0.324 4.020 4.340 0.007 0.000 0.216 451 L C 2.377 179.092 176.870 -0.258 0.000 1.074 451 L CA 2.278 57.026 54.840 -0.152 0.000 0.763 451 L CB -1.053 40.834 42.059 -0.285 0.000 0.890 451 L HN 0.326 nan 8.230 nan 0.000 0.434 452 H N -0.774 118.226 119.070 -0.116 0.000 2.428 452 H HA 0.072 4.632 4.556 0.007 0.000 0.296 452 H C 2.138 177.395 175.328 -0.118 0.000 1.062 452 H CA 1.159 57.170 56.048 -0.061 0.000 1.350 452 H CB -0.248 29.463 29.762 -0.084 0.000 1.403 452 H HN 0.555 nan 8.280 nan 0.000 0.533 453 A N 1.293 124.077 122.820 -0.060 0.000 1.902 453 A HA -0.168 4.156 4.320 0.007 0.000 0.217 453 A C 2.355 179.795 177.584 -0.240 0.000 1.181 453 A CA 1.194 53.146 52.037 -0.142 0.000 0.623 453 A CB -0.170 18.727 19.000 -0.172 0.000 0.818 453 A HN 0.258 nan 8.150 nan 0.000 0.443 454 Q N -0.493 119.091 119.800 -0.359 0.000 2.079 454 Q HA -0.104 4.240 4.340 0.007 0.000 0.200 454 Q C 2.194 178.045 176.000 -0.248 0.000 0.974 454 Q CA 1.103 56.681 55.803 -0.376 0.000 0.840 454 Q CB -0.410 28.038 28.738 -0.483 0.000 0.898 454 Q HN 0.478 nan 8.270 nan 0.000 0.430 455 R N 0.559 120.930 120.500 -0.214 0.000 2.092 455 R HA -0.032 4.312 4.340 0.007 0.000 0.231 455 R C 2.097 178.227 176.300 -0.284 0.000 1.119 455 R CA 0.819 56.773 56.100 -0.243 0.000 0.970 455 R CB -0.377 29.697 30.300 -0.378 0.000 0.864 455 R HN 0.328 nan 8.270 nan 0.000 0.440 456 Q N 0.890 120.546 119.800 -0.239 0.000 2.124 456 Q HA -0.086 4.258 4.340 0.007 0.000 0.202 456 Q C 1.855 177.731 176.000 -0.206 0.000 0.977 456 Q CA 1.266 56.952 55.803 -0.195 0.000 0.850 456 Q CB -0.153 28.519 28.738 -0.111 0.000 0.901 456 Q HN 0.341 nan 8.270 nan 0.000 0.429 457 K N 0.142 120.422 120.400 -0.200 0.000 2.280 457 K HA -0.029 4.295 4.320 0.007 0.000 0.202 457 K C 1.256 177.722 176.600 -0.224 0.000 1.047 457 K CA 0.538 56.701 56.287 -0.207 0.000 0.942 457 K CB 0.099 32.492 32.500 -0.179 0.000 0.739 457 K HN 0.145 nan 8.250 nan 0.000 0.457 458 L N 0.118 121.236 121.223 -0.176 0.000 2.928 458 L HA 0.158 4.502 4.340 0.007 0.000 0.246 458 L C -0.558 176.317 176.870 0.008 0.000 1.239 458 L CA -0.055 54.740 54.840 -0.074 0.000 1.035 458 L CB -0.380 41.671 42.059 -0.013 0.000 1.360 458 L HN 0.323 nan 8.230 nan 0.000 0.529 459 H N -0.978 118.052 119.070 -0.068 0.000 3.080 459 H HA -0.151 4.409 4.556 0.007 0.000 0.254 459 H C 0.948 176.215 175.328 -0.103 0.000 1.179 459 H CA 0.692 56.704 56.048 -0.060 0.000 1.144 459 H CB -1.024 28.730 29.762 -0.013 0.000 1.261 459 H HN 0.666 nan 8.280 nan 0.000 0.333 460 G N -1.936 106.767 108.800 -0.160 0.000 2.337 460 G HA2 -0.037 3.928 3.960 0.007 0.000 0.197 460 G HA3 -0.037 3.928 3.960 0.007 0.000 0.197 460 G C -1.343 173.211 174.900 -0.577 0.000 1.238 460 G CA -0.504 44.366 45.100 -0.382 0.000 1.119 460 G HN 0.215 nan 8.290 nan 0.000 0.514 461 Y N 0.351 120.706 120.300 0.091 0.000 2.446 461 Y HA 0.802 5.356 4.550 0.007 0.000 0.338 461 Y C 0.807 176.746 175.900 0.064 0.000 1.055 461 Y CA -0.489 57.663 58.100 0.087 0.000 1.101 461 Y CB 1.875 40.362 38.460 0.046 0.000 1.221 461 Y HN 0.852 nan 8.280 nan 0.000 0.460 462 L N 0.966 122.334 121.223 0.241 0.000 2.465 462 L HA 0.838 5.182 4.340 0.007 0.000 0.257 462 L C -3.128 173.782 176.870 0.067 0.000 0.988 462 L CA -2.358 52.547 54.840 0.108 0.000 0.827 462 L CB 2.664 44.811 42.059 0.148 0.000 1.397 462 L HN 0.281 nan 8.230 nan 0.000 0.410 463 P HA 0.321 nan 4.420 nan 0.000 0.277 463 P C -1.000 175.927 177.300 -0.621 0.000 1.240 463 P CA -0.136 62.710 63.100 -0.424 0.000 0.798 463 P CB 1.675 33.025 31.700 -0.583 0.000 0.979 464 S N 0.987 116.479 115.700 -0.347 0.000 2.570 464 S HA 0.705 5.179 4.470 0.007 0.000 0.270 464 S C -1.094 173.409 174.600 -0.162 0.000 1.149 464 S CA -0.933 57.122 58.200 -0.242 0.000 0.837 464 S CB 2.462 65.609 63.200 -0.087 0.000 1.124 464 S HN 0.681 nan 8.310 nan 0.000 0.465 465 R N 0.638 121.079 120.500 -0.099 0.000 2.651 465 R HA 0.445 4.789 4.340 0.007 0.000 0.278 465 R C -1.705 174.577 176.300 -0.029 0.000 1.010 465 R CA -0.443 55.609 56.100 -0.081 0.000 0.896 465 R CB 1.992 32.238 30.300 -0.089 0.000 1.211 465 R HN 0.861 nan 8.270 nan 0.000 0.456 466 Q N 5.180 124.965 119.800 -0.024 0.000 2.368 466 Q HA 0.316 4.660 4.340 0.007 0.000 0.256 466 Q C -2.077 173.945 176.000 0.036 0.000 0.980 466 Q CA -2.146 53.666 55.803 0.015 0.000 0.887 466 Q CB 1.824 30.580 28.738 0.030 0.000 1.221 466 Q HN 0.407 nan 8.270 nan 0.000 0.458 467 P HA -0.059 nan 4.420 nan 0.000 0.218 467 P C -0.625 176.785 177.300 0.183 0.000 1.149 467 P CA 1.035 64.194 63.100 0.098 0.000 0.817 467 P CB 0.418 32.150 31.700 0.053 0.000 0.785 468 N N -1.010 117.758 118.700 0.114 0.000 2.312 468 N HA 0.296 5.040 4.740 0.007 0.000 0.296 468 N C -0.606 174.983 175.510 0.131 0.000 1.193 468 N CA -0.678 52.404 53.050 0.052 0.000 0.773 468 N CB 1.339 39.733 38.487 -0.155 0.000 1.435 468 N HN -0.097 nan 8.380 nan 0.000 0.484 469 F N -1.143 118.923 119.950 0.192 0.000 2.371 469 F HA 0.444 4.975 4.527 0.007 0.000 0.329 469 F C 1.787 177.647 175.800 0.100 0.000 1.107 469 F CA -0.712 57.392 58.000 0.173 0.000 1.137 469 F CB 0.165 39.305 39.000 0.233 0.000 1.214 469 F HN 0.497 nan 8.300 nan 0.000 0.536 470 T N -2.016 112.725 114.554 0.312 0.000 3.009 470 T HA 0.040 4.394 4.350 0.007 0.000 0.258 470 T C 0.468 175.306 174.700 0.230 0.000 1.063 470 T CA 0.408 62.616 62.100 0.180 0.000 1.139 470 T CB -0.680 68.266 68.868 0.129 0.000 0.890 470 T HN 0.817 nan 8.240 nan 0.000 0.471 471 E N 1.418 121.825 120.200 0.346 0.000 2.392 471 E HA 0.203 4.557 4.350 0.007 0.000 0.259 471 E C -0.374 176.432 176.600 0.343 0.000 1.108 471 E CA -0.782 55.779 56.400 0.268 0.000 0.916 471 E CB 0.683 30.495 29.700 0.186 0.000 0.989 471 E HN 0.326 nan 8.360 nan 0.000 0.432 472 K N 3.183 123.712 120.400 0.215 0.000 2.235 472 K HA 0.286 4.610 4.320 0.007 0.000 0.266 472 K C -0.891 175.814 176.600 0.176 0.000 0.980 472 K CA -0.589 55.823 56.287 0.209 0.000 0.849 472 K CB 0.758 33.334 32.500 0.125 0.000 1.098 472 K HN 0.531 nan 8.250 nan 0.000 0.445 473 L N 3.139 124.486 121.223 0.207 0.000 2.357 473 L HA 0.290 4.634 4.340 0.007 0.000 0.273 473 L C 0.243 177.182 176.870 0.116 0.000 1.080 473 L CA -0.719 54.201 54.840 0.134 0.000 0.803 473 L CB 1.360 43.497 42.059 0.130 0.000 1.174 473 L HN 0.562 nan 8.230 nan 0.000 0.443 474 E N 3.249 123.500 120.200 0.084 0.000 2.206 474 E HA 0.250 4.604 4.350 0.007 0.000 0.244 474 E C -0.592 176.058 176.600 0.083 0.000 1.055 474 E CA -0.702 55.745 56.400 0.077 0.000 0.970 474 E CB 0.632 30.365 29.700 0.055 0.000 1.256 474 E HN 0.245 nan 8.360 nan 0.000 0.456 475 L N 3.675 124.963 121.223 0.108 0.000 2.483 475 L HA 0.117 4.461 4.340 0.007 0.000 0.275 475 L C -1.637 175.323 176.870 0.150 0.000 1.220 475 L CA -1.354 53.564 54.840 0.129 0.000 0.833 475 L CB -0.551 41.591 42.059 0.138 0.000 1.102 475 L HN 0.192 nan 8.230 nan 0.000 0.490 476 P HA 0.146 nan 4.420 nan 0.000 0.272 476 P C -0.741 176.771 177.300 0.353 0.000 1.223 476 P CA -0.461 62.751 63.100 0.187 0.000 0.784 476 P CB 0.794 32.567 31.700 0.122 0.000 0.923 477 S N 1.522 117.365 115.700 0.239 0.000 2.681 477 S HA 0.139 4.613 4.470 0.007 0.000 0.270 477 S C 1.192 175.872 174.600 0.133 0.000 1.209 477 S CA -0.689 57.642 58.200 0.217 0.000 0.988 477 S CB 0.326 63.580 63.200 0.089 0.000 1.006 477 S HN 0.359 nan 8.310 nan 0.000 0.558 478 L N 0.968 122.008 121.223 -0.306 0.000 2.093 478 L HA -0.031 4.313 4.340 0.007 0.000 0.208 478 L C 2.573 179.465 176.870 0.036 0.000 1.085 478 L CA 1.750 56.386 54.840 -0.341 0.000 0.755 478 L CB -1.295 40.461 42.059 -0.506 0.000 0.904 478 L HN 0.851 nan 8.230 nan 0.000 0.435 479 Q N -0.663 119.132 119.800 -0.008 0.000 2.181 479 Q HA -0.224 4.120 4.340 0.007 0.000 0.205 479 Q C 1.622 177.624 176.000 0.004 0.000 0.980 479 Q CA 1.604 57.409 55.803 0.003 0.000 0.862 479 Q CB -0.226 28.504 28.738 -0.013 0.000 0.905 479 Q HN 0.533 nan 8.270 nan 0.000 0.429 480 D N -0.181 120.212 120.400 -0.012 0.000 2.263 480 D HA -0.122 4.522 4.640 0.007 0.000 0.208 480 D C 0.519 176.644 176.300 -0.292 0.000 0.971 480 D CA 0.986 54.885 54.000 -0.170 0.000 0.867 480 D CB 0.011 40.653 40.800 -0.263 0.000 0.929 480 D HN 0.254 nan 8.370 nan 0.000 0.492 481 F N -0.176 119.748 119.950 -0.044 0.000 2.645 481 F HA 0.287 4.818 4.527 0.007 0.000 0.300 481 F C 2.213 177.991 175.800 -0.037 0.000 1.115 481 F CA -0.438 57.540 58.000 -0.037 0.000 1.355 481 F CB -0.019 38.966 39.000 -0.025 0.000 1.026 481 F HN -0.132 nan 8.300 nan 0.000 0.536 482 G N 0.738 109.583 108.800 0.075 0.000 2.505 482 G HA2 -0.352 3.612 3.960 0.007 0.000 0.220 482 G HA3 -0.352 3.612 3.960 0.007 0.000 0.220 482 G C 1.964 176.882 174.900 0.030 0.000 1.145 482 G CA 1.078 46.199 45.100 0.036 0.000 0.761 482 G HN 0.442 nan 8.290 nan 0.000 0.571 483 A N 0.069 122.900 122.820 0.018 0.000 1.978 483 A HA 0.074 4.398 4.320 0.007 0.000 0.220 483 A C 2.229 179.835 177.584 0.037 0.000 1.170 483 A CA 1.469 53.513 52.037 0.012 0.000 0.636 483 A CB -0.274 18.721 19.000 -0.009 0.000 0.810 483 A HN 0.321 nan 8.150 nan 0.000 0.448 484 L N -0.654 120.615 121.223 0.076 0.000 2.478 484 L HA 0.078 4.422 4.340 0.007 0.000 0.223 484 L C 1.911 178.855 176.870 0.123 0.000 1.140 484 L CA 0.893 55.793 54.840 0.100 0.000 0.842 484 L CB -0.375 41.768 42.059 0.140 0.000 0.953 484 L HN 0.349 nan 8.230 nan 0.000 0.452 485 L N -1.433 119.844 121.223 0.090 0.000 2.529 485 L HA 0.086 4.431 4.340 0.007 0.000 0.223 485 L C 0.729 177.596 176.870 -0.005 0.000 1.113 485 L CA 0.031 54.905 54.840 0.057 0.000 0.861 485 L CB -0.151 41.909 42.059 0.002 0.000 1.012 485 L HN 0.253 nan 8.230 nan 0.000 0.461 486 E N 0.583 120.788 120.200 0.009 0.000 2.312 486 E HA 0.145 4.499 4.350 0.007 0.000 0.259 486 E C -0.228 176.372 176.600 -0.000 0.000 1.122 486 E CA -0.623 55.770 56.400 -0.012 0.000 0.922 486 E CB 0.989 30.685 29.700 -0.007 0.000 1.109 486 E HN 0.057 nan 8.360 nan 0.000 0.442 487 E N 1.166 121.358 120.200 -0.014 0.000 2.392 487 E HA -0.064 4.290 4.350 0.007 0.000 0.264 487 E C -0.558 176.031 176.600 -0.019 0.000 1.024 487 E CA -0.358 56.026 56.400 -0.028 0.000 0.903 487 E CB 0.580 30.290 29.700 0.017 0.000 0.963 487 E HN 0.210 nan 8.360 nan 0.000 0.432 488 Q N 2.041 121.808 119.800 -0.055 0.000 2.259 488 Q HA 0.117 4.461 4.340 0.007 0.000 0.246 488 Q C 0.729 176.737 176.000 0.013 0.000 0.920 488 Q CA -0.105 55.684 55.803 -0.023 0.000 0.895 488 Q CB 1.750 30.467 28.738 -0.036 0.000 1.220 488 Q HN 0.563 nan 8.270 nan 0.000 0.439 489 S N 1.453 117.166 115.700 0.021 0.000 2.356 489 S HA -0.125 4.349 4.470 0.007 0.000 0.223 489 S C 0.708 175.340 174.600 0.053 0.000 1.032 489 S CA 1.439 59.661 58.200 0.037 0.000 1.005 489 S CB 0.078 63.291 63.200 0.022 0.000 0.867 489 S HN 0.565 nan 8.310 nan 0.000 0.449 490 K N 1.121 121.544 120.400 0.038 0.000 2.258 490 K HA 0.478 4.802 4.320 0.007 0.000 0.236 490 K C -1.157 175.470 176.600 0.045 0.000 1.008 490 K CA -0.830 55.485 56.287 0.046 0.000 0.869 490 K CB 1.142 33.657 32.500 0.026 0.000 1.171 490 K HN -0.052 nan 8.250 nan 0.000 0.447 491 E N 1.623 121.859 120.200 0.059 0.000 2.324 491 E HA 0.167 4.521 4.350 0.007 0.000 0.271 491 E C -0.035 176.558 176.600 -0.011 0.000 1.028 491 E CA -0.208 56.224 56.400 0.052 0.000 0.890 491 E CB 0.433 30.186 29.700 0.090 0.000 1.004 491 E HN 0.500 nan 8.360 nan 0.000 0.431 492 I N -1.242 119.289 120.570 -0.065 0.000 3.322 492 I HA 0.578 4.752 4.170 0.007 0.000 0.313 492 I C -0.125 175.862 176.117 -0.217 0.000 1.129 492 I CA -1.050 60.191 61.300 -0.098 0.000 0.963 492 I CB 2.031 39.992 38.000 -0.064 0.000 1.273 492 I HN 0.396 nan 8.210 nan 0.000 0.473 493 S N -0.692 114.898 115.700 -0.183 0.000 2.747 493 S HA 0.395 4.869 4.470 0.007 0.000 0.300 493 S C 0.806 175.321 174.600 -0.141 0.000 1.121 493 S CA 0.149 58.202 58.200 -0.245 0.000 0.995 493 S CB 1.290 64.405 63.200 -0.142 0.000 1.113 493 S HN 0.858 nan 8.310 nan 0.000 0.547 494 T N -2.285 112.203 114.554 -0.110 0.000 3.035 494 T HA -0.002 4.352 4.350 0.007 0.000 0.268 494 T C 1.471 176.198 174.700 0.046 0.000 1.109 494 T CA 1.318 63.409 62.100 -0.016 0.000 1.119 494 T CB -0.984 67.889 68.868 0.009 0.000 0.900 494 T HN 0.603 nan 8.240 nan 0.000 0.503 495 T N 1.977 116.555 114.554 0.040 0.000 2.851 495 T HA 0.239 4.593 4.350 0.007 0.000 0.262 495 T C 1.848 176.643 174.700 0.159 0.000 1.043 495 T CA 0.662 62.837 62.100 0.125 0.000 1.140 495 T CB -0.307 68.627 68.868 0.109 0.000 0.872 495 T HN 0.362 nan 8.240 nan 0.000 0.446 496 I N 1.453 122.057 120.570 0.057 0.000 2.286 496 I HA -0.158 4.016 4.170 0.007 0.000 0.248 496 I C 2.853 178.973 176.117 0.006 0.000 1.115 496 I CA 0.915 62.226 61.300 0.018 0.000 1.392 496 I CB -0.382 37.607 38.000 -0.019 0.000 1.065 496 I HN 0.189 nan 8.210 nan 0.000 0.418 497 A N 0.874 123.709 122.820 0.024 0.000 1.902 497 A HA -0.266 4.058 4.320 0.007 0.000 0.217 497 A C 2.220 179.824 177.584 0.034 0.000 1.181 497 A CA 1.538 53.591 52.037 0.026 0.000 0.623 497 A CB -0.953 18.069 19.000 0.036 0.000 0.818 497 A HN 0.495 nan 8.150 nan 0.000 0.443 498 F N 1.022 120.946 119.950 -0.043 0.000 2.095 498 F HA -0.161 4.370 4.527 0.007 0.000 0.298 498 F C 2.076 177.822 175.800 -0.091 0.000 1.104 498 F CA 2.070 60.033 58.000 -0.062 0.000 1.232 498 F CB -0.602 38.365 39.000 -0.056 0.000 0.987 498 F HN 0.011 nan 8.300 nan 0.000 0.475 499 V N 1.338 120.959 119.914 -0.489 0.000 2.343 499 V HA -0.273 3.851 4.120 0.007 0.000 0.247 499 V C 2.553 178.410 176.094 -0.394 0.000 1.051 499 V CA 2.262 64.218 62.300 -0.573 0.000 1.036 499 V CB -0.783 30.904 31.823 -0.227 0.000 0.654 499 V HN 0.314 nan 8.190 nan 0.000 0.451 500 R N 0.133 120.500 120.500 -0.222 0.000 2.120 500 R HA -0.083 4.261 4.340 0.007 0.000 0.234 500 R C 2.406 178.627 176.300 -0.132 0.000 1.123 500 R CA 1.362 57.375 56.100 -0.145 0.000 0.975 500 R CB -0.511 29.748 30.300 -0.068 0.000 0.866 500 R HN 0.545 nan 8.270 nan 0.000 0.446 501 A N 1.105 123.849 122.820 -0.127 0.000 1.898 501 A HA -0.127 4.197 4.320 0.007 0.000 0.216 501 A C 2.040 179.553 177.584 -0.118 0.000 1.181 501 A CA 0.849 52.909 52.037 0.038 0.000 0.620 501 A CB -0.356 18.656 19.000 0.019 0.000 0.819 501 A HN 0.190 nan 8.150 nan 0.000 0.442 502 L N 0.560 121.506 121.223 -0.461 0.000 2.083 502 L HA -0.151 4.193 4.340 0.007 0.000 0.209 502 L C 1.927 178.590 176.870 -0.344 0.000 1.083 502 L CA 1.832 56.324 54.840 -0.580 0.000 0.752 502 L CB -0.758 40.796 42.059 -0.841 0.000 0.899 502 L HN 0.362 nan 8.230 nan 0.000 0.433 503 N N -0.820 117.712 118.700 -0.281 0.000 2.166 503 N HA -0.138 4.606 4.740 0.007 0.000 0.186 503 N C 1.843 177.235 175.510 -0.196 0.000 1.019 503 N CA 1.535 54.463 53.050 -0.203 0.000 0.856 503 N CB -0.048 38.337 38.487 -0.169 0.000 0.993 503 N HN 0.259 nan 8.380 nan 0.000 0.426 504 V N 1.736 121.511 119.914 -0.232 0.000 2.343 504 V HA -0.192 3.932 4.120 0.007 0.000 0.247 504 V C 2.332 178.236 176.094 -0.317 0.000 1.051 504 V CA 1.344 63.429 62.300 -0.358 0.000 1.036 504 V CB -0.337 31.055 31.823 -0.718 0.000 0.654 504 V HN 0.283 nan 8.190 nan 0.000 0.451 505 M N -0.869 118.602 119.600 -0.215 0.000 2.229 505 M HA -0.105 4.379 4.480 0.007 0.000 0.264 505 M C 1.975 178.213 176.300 -0.104 0.000 1.063 505 M CA 1.695 56.928 55.300 -0.111 0.000 1.114 505 M CB -0.380 32.183 32.600 -0.061 0.000 1.387 505 M HN 0.243 nan 8.290 nan 0.000 0.420 506 L N -0.095 121.051 121.223 -0.128 0.000 2.549 506 L HA -0.134 4.210 4.340 0.007 0.000 0.229 506 L C 1.859 178.680 176.870 -0.081 0.000 1.158 506 L CA 0.833 55.619 54.840 -0.091 0.000 0.842 506 L CB -0.366 41.634 42.059 -0.097 0.000 0.952 506 L HN 0.289 nan 8.230 nan 0.000 0.452 507 K N -0.847 119.491 120.400 -0.104 0.000 2.354 507 K HA 0.048 4.372 4.320 0.007 0.000 0.194 507 K C 0.744 177.297 176.600 -0.077 0.000 1.038 507 K CA -0.203 56.029 56.287 -0.092 0.000 1.052 507 K CB 0.218 32.648 32.500 -0.117 0.000 0.861 507 K HN 0.146 nan 8.250 nan 0.000 0.535 508 N N 2.572 121.226 118.700 -0.076 0.000 2.420 508 N HA -0.054 4.690 4.740 0.007 0.000 0.262 508 N C 0.747 176.241 175.510 -0.027 0.000 1.144 508 N CA 0.296 53.317 53.050 -0.047 0.000 0.952 508 N CB 0.975 39.444 38.487 -0.030 0.000 1.081 508 N HN -0.009 nan 8.380 nan 0.000 0.480 509 K N 2.723 123.111 120.400 -0.021 0.000 2.103 509 K HA -0.140 4.184 4.320 0.007 0.000 0.207 509 K C 1.442 178.038 176.600 -0.006 0.000 1.048 509 K CA 1.136 57.415 56.287 -0.014 0.000 0.930 509 K CB -0.146 32.348 32.500 -0.010 0.000 0.716 509 K HN 0.545 nan 8.250 nan 0.000 0.444 510 S N 0.845 116.547 115.700 0.002 0.000 2.371 510 S HA -0.070 4.404 4.470 0.007 0.000 0.224 510 S C 1.924 176.524 174.600 0.000 0.000 1.029 510 S CA 1.180 59.385 58.200 0.009 0.000 0.978 510 S CB -0.128 63.087 63.200 0.026 0.000 0.833 510 S HN 0.500 nan 8.310 nan 0.000 0.466 511 I N -0.948 119.623 120.570 0.002 0.000 4.082 511 I HA 0.296 4.471 4.170 0.007 0.000 0.337 511 I C 1.666 177.783 176.117 -0.001 0.000 1.352 511 I CA -0.070 61.227 61.300 -0.006 0.000 1.097 511 I CB -0.158 37.847 38.000 0.008 0.000 1.048 511 I HN 0.149 nan 8.210 nan 0.000 0.393 512 K N 1.298 121.694 120.400 -0.007 0.000 2.059 512 K HA -0.209 4.115 4.320 0.007 0.000 0.212 512 K C 0.951 177.555 176.600 0.006 0.000 1.050 512 K CA 2.321 58.603 56.287 -0.009 0.000 0.927 512 K CB -0.615 31.873 32.500 -0.020 0.000 0.714 512 K HN 0.300 nan 8.250 nan 0.000 0.447 513 D N -0.105 120.295 120.400 -0.001 0.000 2.340 513 D HA 0.016 4.660 4.640 0.007 0.000 0.220 513 D C 1.386 177.693 176.300 0.011 0.000 1.039 513 D CA 0.272 54.272 54.000 0.000 0.000 0.866 513 D CB 0.284 41.069 40.800 -0.025 0.000 0.913 513 D HN 0.217 nan 8.370 nan 0.000 0.523 514 R N 0.069 120.578 120.500 0.015 0.000 2.290 514 R HA 0.204 4.548 4.340 0.007 0.000 0.197 514 R C 0.825 177.170 176.300 0.075 0.000 0.913 514 R CA -0.120 55.991 56.100 0.018 0.000 1.040 514 R CB 0.213 30.480 30.300 -0.055 0.000 0.992 514 R HN 0.192 nan 8.270 nan 0.000 0.500 515 L N 1.410 122.696 121.223 0.106 0.000 2.426 515 L HA 0.167 4.511 4.340 0.007 0.000 0.271 515 L C 0.081 177.105 176.870 0.256 0.000 1.169 515 L CA -0.218 54.741 54.840 0.198 0.000 0.836 515 L CB 0.974 43.124 42.059 0.152 0.000 1.112 515 L HN -0.281 nan 8.230 nan 0.000 0.465 516 V N 3.759 123.869 119.914 0.328 0.000 2.380 516 V HA 0.252 4.376 4.120 0.007 0.000 0.268 516 V C -2.330 173.978 176.094 0.355 0.000 1.008 516 V CA -1.476 61.013 62.300 0.316 0.000 0.823 516 V CB 1.168 33.155 31.823 0.273 0.000 1.053 516 V HN 0.599 nan 8.190 nan 0.000 0.446 517 P HA 0.414 nan 4.420 nan 0.000 0.276 517 P C -0.569 176.928 177.300 0.328 0.000 1.235 517 P CA 0.186 63.499 63.100 0.355 0.000 0.772 517 P CB 0.767 32.617 31.700 0.249 0.000 0.871 518 I N 4.658 125.457 120.570 0.382 0.000 2.533 518 I HA 0.480 4.654 4.170 0.007 0.000 0.290 518 I C -0.086 176.283 176.117 0.421 0.000 1.056 518 I CA -0.987 60.504 61.300 0.319 0.000 1.057 518 I CB 1.807 39.937 38.000 0.217 0.000 1.240 518 I HN 0.198 nan 8.210 nan 0.000 0.423 519 I N 2.261 123.045 120.570 0.356 0.000 2.934 519 I HA 0.805 4.979 4.170 0.007 0.000 0.306 519 I C -0.727 175.608 176.117 0.364 0.000 1.110 519 I CA -1.075 60.475 61.300 0.416 0.000 1.019 519 I CB 2.036 40.279 38.000 0.403 0.000 1.227 519 I HN 0.595 nan 8.210 nan 0.000 0.434 520 A N 3.059 126.138 122.820 0.432 0.000 2.801 520 A HA 0.587 4.911 4.320 0.007 0.000 0.344 520 A C 0.395 178.175 177.584 0.326 0.000 1.322 520 A CA 0.323 52.560 52.037 0.333 0.000 0.913 520 A CB -0.420 18.802 19.000 0.370 0.000 1.140 520 A HN 0.998 nan 8.150 nan 0.000 0.487 521 D N 0.604 121.168 120.400 0.273 0.000 4.365 521 D HA -0.227 4.417 4.640 0.007 0.000 0.198 521 D C 0.239 176.725 176.300 0.310 0.000 0.997 521 D CA 2.394 56.543 54.000 0.247 0.000 2.182 521 D CB -1.234 39.689 40.800 0.204 0.000 1.147 521 D HN 0.607 nan 8.370 nan 0.000 0.409 522 E N 0.271 120.692 120.200 0.369 0.000 2.498 522 E HA 0.435 4.789 4.350 0.007 0.000 0.252 522 E C 0.512 177.380 176.600 0.446 0.000 1.025 522 E CA 0.853 57.477 56.400 0.373 0.000 0.938 522 E CB 0.714 30.679 29.700 0.441 0.000 0.947 522 E HN 0.420 nan 8.360 nan 0.000 0.478 523 A N 4.194 127.217 122.820 0.338 0.000 1.933 523 A HA 0.130 4.454 4.320 0.007 0.000 0.198 523 A C 1.843 179.512 177.584 0.143 0.000 1.617 523 A CA 0.092 52.321 52.037 0.320 0.000 1.039 523 A CB 0.080 19.318 19.000 0.397 0.000 1.066 523 A HN 0.529 nan 8.150 nan 0.000 0.484 524 R N 0.063 120.625 120.500 0.103 0.000 2.096 524 R HA -0.100 4.244 4.340 0.007 0.000 0.235 524 R C 1.816 178.066 176.300 -0.084 0.000 1.127 524 R CA 1.955 58.067 56.100 0.021 0.000 0.968 524 R CB -0.352 29.977 30.300 0.048 0.000 0.861 524 R HN 0.487 nan 8.270 nan 0.000 0.440 525 T N -0.191 114.237 114.554 -0.211 0.000 2.849 525 T HA -0.128 4.226 4.350 0.007 0.000 0.270 525 T C 0.740 175.036 174.700 -0.673 0.000 1.066 525 T CA 1.200 62.995 62.100 -0.508 0.000 1.130 525 T CB -0.096 68.283 68.868 -0.814 0.000 0.864 525 T HN 0.219 nan 8.240 nan 0.000 0.481 526 F N 0.088 120.012 119.950 -0.043 0.000 2.639 526 F HA 0.427 4.958 4.527 0.007 0.000 0.302 526 F C 1.628 177.417 175.800 -0.019 0.000 1.097 526 F CA -0.559 57.414 58.000 -0.045 0.000 1.294 526 F CB 0.088 39.068 39.000 -0.034 0.000 1.027 526 F HN 0.159 nan 8.300 nan 0.000 0.550 527 G N 0.873 109.703 108.800 0.050 0.000 2.283 527 G HA2 -0.306 3.658 3.960 0.007 0.000 0.280 527 G HA3 -0.306 3.658 3.960 0.007 0.000 0.280 527 G C 0.945 175.828 174.900 -0.028 0.000 1.029 527 G CA 0.434 45.537 45.100 0.005 0.000 0.840 527 G HN 0.226 nan 8.290 nan 0.000 0.505 528 M N 0.156 119.726 119.600 -0.050 0.000 2.510 528 M HA 0.055 4.539 4.480 0.007 0.000 0.256 528 M C 2.437 178.403 176.300 -0.557 0.000 1.132 528 M CA 1.281 56.459 55.300 -0.203 0.000 1.105 528 M CB -0.457 32.079 32.600 -0.106 0.000 1.375 528 M HN 0.625 nan 8.290 nan 0.000 0.477 529 E N 0.467 120.380 120.200 -0.479 0.000 2.219 529 E HA -0.184 4.170 4.350 0.007 0.000 0.198 529 E C 1.756 178.189 176.600 -0.279 0.000 0.998 529 E CA 1.884 57.987 56.400 -0.495 0.000 0.818 529 E CB -0.977 28.704 29.700 -0.032 0.000 0.741 529 E HN 0.468 nan 8.360 nan 0.000 0.477 530 G N 1.477 110.162 108.800 -0.191 0.000 2.443 530 G HA2 -0.137 3.827 3.960 0.007 0.000 0.219 530 G HA3 -0.137 3.827 3.960 0.007 0.000 0.219 530 G C 1.775 176.625 174.900 -0.083 0.000 1.131 530 G CA 0.668 45.713 45.100 -0.092 0.000 0.775 530 G HN 0.252 nan 8.290 nan 0.000 0.547 531 L N -0.466 120.657 121.223 -0.167 0.000 2.313 531 L HA 0.115 4.459 4.340 0.007 0.000 0.214 531 L C 2.406 179.321 176.870 0.075 0.000 1.119 531 L CA 0.006 54.799 54.840 -0.079 0.000 0.809 531 L CB -0.355 41.636 42.059 -0.114 0.000 0.933 531 L HN 0.032 nan 8.230 nan 0.000 0.449 532 F N 0.912 120.890 119.950 0.047 0.000 2.154 532 F HA -0.205 4.326 4.527 0.007 0.000 0.301 532 F C 2.605 178.429 175.800 0.040 0.000 1.087 532 F CA 1.222 59.255 58.000 0.055 0.000 1.274 532 F CB -0.712 38.323 39.000 0.058 0.000 1.009 532 F HN 0.047 nan 8.300 nan 0.000 0.485 533 R N -0.379 120.251 120.500 0.217 0.000 2.161 533 R HA -0.049 4.295 4.340 0.007 0.000 0.213 533 R C 2.015 178.365 176.300 0.083 0.000 1.055 533 R CA 0.807 56.981 56.100 0.123 0.000 0.996 533 R CB -0.320 30.032 30.300 0.086 0.000 0.901 533 R HN 0.395 nan 8.270 nan 0.000 0.456 534 Q N 0.645 120.487 119.800 0.071 0.000 2.033 534 Q HA -0.014 4.331 4.340 0.007 0.000 0.196 534 Q C 2.038 178.070 176.000 0.054 0.000 0.970 534 Q CA 1.307 57.135 55.803 0.041 0.000 0.828 534 Q CB 0.133 28.878 28.738 0.012 0.000 0.895 534 Q HN 0.453 nan 8.270 nan 0.000 0.440 535 I N -4.133 116.488 120.570 0.085 0.000 4.139 535 I HA 0.451 4.625 4.170 0.007 0.000 0.335 535 I C 0.709 176.907 176.117 0.136 0.000 1.327 535 I CA 0.039 61.397 61.300 0.096 0.000 1.112 535 I CB 0.382 38.439 38.000 0.095 0.000 1.058 535 I HN 0.136 nan 8.210 nan 0.000 0.396 536 G N 2.656 111.555 108.800 0.165 0.000 2.888 536 G HA2 -0.196 3.768 3.960 0.007 0.000 0.441 536 G HA3 -0.196 3.768 3.960 0.007 0.000 0.441 536 G C -0.936 174.082 174.900 0.196 0.000 1.461 536 G CA -0.316 44.878 45.100 0.157 0.000 0.897 536 G HN 0.267 nan 8.290 nan 0.000 0.547 537 I N 0.212 120.847 120.570 0.109 0.000 2.377 537 I HA 0.380 4.554 4.170 0.007 0.000 0.293 537 I C 0.296 176.510 176.117 0.160 0.000 0.987 537 I CA -0.786 60.580 61.300 0.110 0.000 1.185 537 I CB 1.637 39.581 38.000 -0.093 0.000 1.341 537 I HN 0.576 nan 8.210 nan 0.000 0.455 538 Y N 5.772 126.143 120.300 0.120 0.000 2.677 538 Y HA 0.285 4.839 4.550 0.007 0.000 0.335 538 Y C 0.429 176.368 175.900 0.064 0.000 1.162 538 Y CA 0.200 58.384 58.100 0.141 0.000 1.483 538 Y CB 0.453 39.068 38.460 0.258 0.000 1.209 538 Y HN 0.537 nan 8.280 nan 0.000 0.528 539 S N 9.080 124.541 115.700 -0.398 0.000 2.479 539 S HA 0.316 4.790 4.470 0.007 0.000 0.169 539 S C -2.810 171.516 174.600 -0.456 0.000 1.181 539 S CA -1.145 56.810 58.200 -0.408 0.000 1.169 539 S CB 0.209 63.291 63.200 -0.197 0.000 1.384 539 S HN 0.614 nan 8.310 nan 0.000 0.412 559 D N 0.777 121.148 120.400 -0.050 0.000 2.798 559 D HA 0.034 4.678 4.640 0.007 0.000 0.308 559 D C 0.877 177.115 176.300 -0.102 0.000 1.187 559 D CA -0.359 53.590 54.000 -0.086 0.000 1.033 559 D CB 0.100 40.867 40.800 -0.056 0.000 1.445 559 D HN 0.301 nan 8.370 nan 0.000 0.550 560 E N -0.287 119.823 120.200 -0.150 0.000 2.338 560 E HA -0.124 4.230 4.350 0.007 0.000 0.197 560 E C 0.916 177.574 176.600 0.098 0.000 1.007 560 E CA 0.737 57.034 56.400 -0.171 0.000 0.849 560 E CB -0.040 29.451 29.700 -0.348 0.000 0.774 560 E HN 0.108 nan 8.360 nan 0.000 0.506 561 K N 1.019 121.458 120.400 0.065 0.000 2.367 561 K HA 0.138 4.462 4.320 0.007 0.000 0.194 561 K C 0.849 177.525 176.600 0.127 0.000 1.027 561 K CA 0.552 56.884 56.287 0.076 0.000 1.075 561 K CB 0.455 32.969 32.500 0.023 0.000 0.845 561 K HN 0.189 nan 8.250 nan 0.000 0.529 562 G N 1.496 110.410 108.800 0.190 0.000 2.391 562 G HA2 -0.152 3.812 3.960 0.007 0.000 0.234 562 G HA3 -0.152 3.812 3.960 0.007 0.000 0.234 562 G C 0.532 175.625 174.900 0.322 0.000 1.284 562 G CA -0.053 45.183 45.100 0.227 0.000 0.873 562 G HN 0.266 nan 8.290 nan 0.000 0.549 563 Q N 1.261 121.222 119.800 0.269 0.000 2.373 563 Q HA 0.147 4.491 4.340 0.007 0.000 0.210 563 Q C 0.940 177.159 176.000 0.366 0.000 0.913 563 Q CA 0.029 56.018 55.803 0.310 0.000 0.911 563 Q CB 0.100 28.958 28.738 0.199 0.000 1.040 563 Q HN 0.659 nan 8.270 nan 0.000 0.521 564 I N 2.323 123.087 120.570 0.323 0.000 2.441 564 I HA 0.088 4.262 4.170 0.007 0.000 0.287 564 I C -0.451 175.839 176.117 0.288 0.000 1.049 564 I CA -0.280 61.208 61.300 0.313 0.000 1.381 564 I CB 0.988 39.224 38.000 0.393 0.000 1.409 564 I HN 0.118 nan 8.210 nan 0.000 0.523 565 L N 6.481 127.830 121.223 0.210 0.000 2.260 565 L HA 0.254 4.598 4.340 0.007 0.000 0.289 565 L C -0.073 176.918 176.870 0.203 0.000 1.057 565 L CA -0.428 54.514 54.840 0.170 0.000 0.811 565 L CB 0.874 42.956 42.059 0.039 0.000 1.184 565 L HN 0.552 nan 8.230 nan 0.000 0.429 566 Q N 3.147 123.066 119.800 0.198 0.000 2.431 566 Q HA 0.147 4.491 4.340 0.007 0.000 0.249 566 Q C 0.001 176.091 176.000 0.150 0.000 1.025 566 Q CA -0.048 55.863 55.803 0.181 0.000 0.835 566 Q CB 0.982 29.795 28.738 0.125 0.000 1.207 566 Q HN 0.405 nan 8.270 nan 0.000 0.490 567 E N 3.069 123.354 120.200 0.142 0.000 2.463 567 E HA 0.223 4.577 4.350 0.007 0.000 0.193 567 E C 0.668 177.335 176.600 0.112 0.000 1.041 567 E CA 0.469 56.944 56.400 0.124 0.000 0.879 567 E CB 0.167 29.899 29.700 0.053 0.000 0.997 567 E HN 0.912 nan 8.360 nan 0.000 0.478 568 G N 2.092 110.966 108.800 0.123 0.000 2.645 568 G HA2 -0.312 3.652 3.960 0.007 0.000 0.246 568 G HA3 -0.312 3.652 3.960 0.007 0.000 0.246 568 G C 0.135 175.101 174.900 0.110 0.000 1.322 568 G CA -0.238 44.929 45.100 0.111 0.000 0.898 568 G HN 0.265 nan 8.290 nan 0.000 0.573 569 I N 2.102 122.719 120.570 0.079 0.000 2.268 569 I HA 0.244 4.418 4.170 0.007 0.000 0.298 569 I C 0.530 176.657 176.117 0.016 0.000 1.185 569 I CA 0.190 61.521 61.300 0.052 0.000 1.548 569 I CB -0.365 37.647 38.000 0.021 0.000 1.492 569 I HN 0.412 nan 8.210 nan 0.000 0.711 570 N N 3.588 122.301 118.700 0.022 0.000 2.839 570 N HA 0.091 4.835 4.740 0.007 0.000 0.230 570 N C 0.437 175.912 175.510 -0.057 0.000 1.388 570 N CA -0.148 52.889 53.050 -0.021 0.000 0.747 570 N CB 0.748 39.239 38.487 0.007 0.000 1.411 570 N HN 0.186 nan 8.380 nan 0.000 0.556 571 E N 1.292 121.466 120.200 -0.044 0.000 2.110 571 E HA -0.027 4.327 4.350 0.007 0.000 0.193 571 E C 1.634 178.139 176.600 -0.158 0.000 0.988 571 E CA 0.799 57.179 56.400 -0.033 0.000 0.804 571 E CB 0.205 29.895 29.700 -0.016 0.000 0.745 571 E HN 0.545 nan 8.360 nan 0.000 0.458 572 L N -0.128 121.001 121.223 -0.157 0.000 2.046 572 L HA -0.110 4.234 4.340 0.007 0.000 0.208 572 L C 2.196 178.869 176.870 -0.329 0.000 1.077 572 L CA 1.590 56.319 54.840 -0.185 0.000 0.747 572 L CB -0.679 41.315 42.059 -0.110 0.000 0.896 572 L HN 0.325 nan 8.230 nan 0.000 0.432 573 G N -0.959 107.601 108.800 -0.401 0.000 2.418 573 G HA2 -0.270 3.694 3.960 0.007 0.000 0.217 573 G HA3 -0.270 3.694 3.960 0.007 0.000 0.217 573 G C 1.676 176.002 174.900 -0.958 0.000 1.158 573 G CA 0.734 45.272 45.100 -0.937 0.000 0.771 573 G HN 0.526 nan 8.290 nan 0.000 0.545 574 A N 0.880 123.353 122.820 -0.579 0.000 1.902 574 A HA 0.141 4.465 4.320 0.007 0.000 0.217 574 A C 2.696 179.827 177.584 -0.756 0.000 1.181 574 A CA 2.102 53.733 52.037 -0.676 0.000 0.623 574 A CB -1.032 17.456 19.000 -0.853 0.000 0.818 574 A HN 0.532 nan 8.150 nan 0.000 0.443 575 G N -1.160 107.276 108.800 -0.607 0.000 2.422 575 G HA2 -0.227 3.737 3.960 0.007 0.000 0.218 575 G HA3 -0.227 3.737 3.960 0.007 0.000 0.218 575 G C 1.517 176.334 174.900 -0.138 0.000 1.146 575 G CA 1.288 46.188 45.100 -0.333 0.000 0.769 575 G HN 0.526 nan 8.290 nan 0.000 0.547 576 C N 0.362 119.495 119.300 -0.278 0.000 2.450 576 C HA 0.087 4.551 4.460 0.007 0.000 0.279 576 C C 3.344 178.278 174.990 -0.093 0.000 1.335 576 C CA 1.038 59.961 59.018 -0.158 0.000 1.749 576 C CB -0.663 26.951 27.740 -0.210 0.000 1.963 576 C HN 0.395 nan 8.230 nan 0.000 0.501 577 S N -0.605 114.984 115.700 -0.186 0.000 2.371 577 S HA -0.186 4.288 4.470 0.007 0.000 0.224 577 S C 1.429 175.943 174.600 -0.145 0.000 1.029 577 S CA 1.209 59.373 58.200 -0.059 0.000 0.978 577 S CB -0.374 62.818 63.200 -0.014 0.000 0.833 577 S HN 0.829 nan 8.310 nan 0.000 0.466 578 W N 2.187 123.314 121.300 -0.289 0.000 2.335 578 W HA -0.143 4.521 4.660 0.007 0.000 0.311 578 W C 1.828 178.218 176.519 -0.214 0.000 1.213 578 W CA 1.087 58.300 57.345 -0.221 0.000 1.274 578 W CB -0.550 28.800 29.460 -0.183 0.000 1.148 578 W HN 0.260 nan 8.180 nan 0.000 0.498 579 L N 1.639 122.843 121.223 -0.032 0.000 2.046 579 L HA -0.034 4.310 4.340 0.007 0.000 0.208 579 L C 2.447 179.141 176.870 -0.293 0.000 1.077 579 L CA 2.776 57.509 54.840 -0.179 0.000 0.747 579 L CB -1.519 40.583 42.059 0.072 0.000 0.896 579 L HN 0.076 nan 8.230 nan 0.000 0.432 580 A N -0.537 122.109 122.820 -0.291 0.000 1.902 580 A HA -0.097 4.227 4.320 0.007 0.000 0.217 580 A C 2.435 179.521 177.584 -0.830 0.000 1.181 580 A CA 1.890 53.689 52.037 -0.397 0.000 0.623 580 A CB -1.130 17.675 19.000 -0.325 0.000 0.818 580 A HN 0.579 nan 8.150 nan 0.000 0.443 581 A N -0.257 121.885 122.820 -1.129 0.000 1.897 581 A HA 0.255 4.579 4.320 0.007 0.000 0.215 581 A C 2.429 179.737 177.584 -0.460 0.000 1.181 581 A CA 1.752 53.179 52.037 -1.016 0.000 0.620 581 A CB -0.963 17.649 19.000 -0.645 0.000 0.821 581 A HN 1.100 nan 8.150 nan 0.000 0.443 582 A N -0.464 122.010 122.820 -0.576 0.000 2.178 582 A HA 0.029 4.353 4.320 0.007 0.000 0.218 582 A C 1.890 179.428 177.584 -0.076 0.000 1.157 582 A CA 2.033 53.800 52.037 -0.449 0.000 0.689 582 A CB -0.792 17.550 19.000 -1.096 0.000 0.787 582 A HN 0.796 nan 8.150 nan 0.000 0.465 583 T N -4.864 109.594 114.554 -0.160 0.000 3.145 583 T HA 0.216 4.570 4.350 0.007 0.000 0.281 583 T C 1.346 175.886 174.700 -0.267 0.000 1.003 583 T CA 0.663 62.635 62.100 -0.215 0.000 0.901 583 T CB 0.147 68.915 68.868 -0.166 0.000 1.112 583 T HN 0.170 nan 8.240 nan 0.000 0.535 584 S N 1.521 117.175 115.700 -0.077 0.000 2.419 584 S HA -0.128 4.346 4.470 0.007 0.000 0.233 584 S C 1.880 176.508 174.600 0.047 0.000 1.016 584 S CA 1.223 59.453 58.200 0.050 0.000 0.974 584 S CB -0.646 62.688 63.200 0.223 0.000 0.786 584 S HN 0.812 nan 8.310 nan 0.000 0.492 585 Y N 0.852 121.237 120.300 0.141 0.000 2.256 585 Y HA 0.053 4.607 4.550 0.007 0.000 0.288 585 Y C 2.493 178.520 175.900 0.211 0.000 1.155 585 Y CA 1.437 59.657 58.100 0.200 0.000 1.203 585 Y CB -1.049 37.618 38.460 0.345 0.000 0.980 585 Y HN 0.310 nan 8.280 nan 0.000 0.530 586 S N -0.414 114.898 115.700 -0.648 0.000 2.444 586 S HA -0.067 4.407 4.470 0.007 0.000 0.223 586 S C 1.873 176.373 174.600 -0.166 0.000 1.054 586 S CA 1.029 58.989 58.200 -0.400 0.000 0.947 586 S CB -0.840 61.968 63.200 -0.655 0.000 0.850 586 S HN 0.562 nan 8.310 nan 0.000 0.527 587 T N 2.850 117.307 114.554 -0.162 0.000 2.746 587 T HA 0.027 4.381 4.350 0.007 0.000 0.267 587 T C 1.090 175.812 174.700 0.037 0.000 1.039 587 T CA 1.376 63.461 62.100 -0.024 0.000 1.142 587 T CB -0.256 68.660 68.868 0.080 0.000 0.866 587 T HN 0.470 nan 8.240 nan 0.000 0.444 588 N N 0.552 119.284 118.700 0.053 0.000 2.170 588 N HA 0.106 4.850 4.740 0.007 0.000 0.222 588 N C 0.109 175.664 175.510 0.076 0.000 1.218 588 N CA -0.016 53.076 53.050 0.071 0.000 0.889 588 N CB 0.288 38.831 38.487 0.094 0.000 1.083 588 N HN 0.222 nan 8.380 nan 0.000 0.520 589 N N 0.871 119.627 118.700 0.094 0.000 2.721 589 N HA -0.219 4.525 4.740 0.007 0.000 0.249 589 N C -1.240 174.354 175.510 0.140 0.000 1.072 589 N CA 0.309 53.450 53.050 0.151 0.000 0.710 589 N CB -1.201 37.360 38.487 0.124 0.000 0.993 589 N HN 0.314 nan 8.380 nan 0.000 0.547 590 L N 0.431 121.726 121.223 0.121 0.000 2.492 590 L HA 0.555 4.899 4.340 0.007 0.000 0.258 590 L C -2.387 174.522 176.870 0.065 0.000 1.028 590 L CA -1.647 53.235 54.840 0.070 0.000 0.900 590 L CB 1.352 43.449 42.059 0.063 0.000 1.191 590 L HN -0.043 nan 8.230 nan 0.000 0.459 591 P HA 0.122 nan 4.420 nan 0.000 0.264 591 P C -0.999 176.242 177.300 -0.098 0.000 1.193 591 P CA 0.167 63.228 63.100 -0.065 0.000 0.763 591 P CB 0.779 32.152 31.700 -0.545 0.000 0.810 592 M N 3.907 123.484 119.600 -0.038 0.000 2.464 592 M HA 0.455 4.939 4.480 0.007 0.000 0.308 592 M C -0.026 176.138 176.300 -0.227 0.000 1.127 592 M CA -0.788 54.490 55.300 -0.037 0.000 0.913 592 M CB 1.960 34.694 32.600 0.224 0.000 1.689 592 M HN 0.223 nan 8.290 nan 0.000 0.445 593 I N 4.909 125.357 120.570 -0.204 0.000 2.428 593 I HA 0.307 4.481 4.170 0.007 0.000 0.279 593 I C -2.212 173.919 176.117 0.023 0.000 1.040 593 I CA -1.572 59.594 61.300 -0.222 0.000 1.171 593 I CB 1.609 39.472 38.000 -0.229 0.000 1.312 593 I HN 0.242 nan 8.210 nan 0.000 0.470 594 P HA 0.315 nan 4.420 nan 0.000 0.282 594 P C -1.091 176.316 177.300 0.178 0.000 1.249 594 P CA -0.285 62.885 63.100 0.116 0.000 0.806 594 P CB 0.999 32.640 31.700 -0.099 0.000 0.984 595 F N 2.380 122.617 119.950 0.478 0.000 2.610 595 F HA 0.244 4.775 4.527 0.007 0.000 0.355 595 F C -0.173 175.926 175.800 0.499 0.000 1.140 595 F CA -0.753 57.557 58.000 0.516 0.000 1.037 595 F CB 1.029 40.290 39.000 0.435 0.000 1.287 595 F HN 0.235 nan 8.300 nan 0.000 0.457 596 Y N 5.583 126.139 120.300 0.426 0.000 2.353 596 Y HA 0.623 5.178 4.550 0.007 0.000 0.340 596 Y C -1.039 174.942 175.900 0.136 0.000 0.972 596 Y CA -2.063 56.189 58.100 0.254 0.000 1.157 596 Y CB 0.726 39.248 38.460 0.104 0.000 1.157 596 Y HN 0.556 nan 8.280 nan 0.000 0.495 597 I N 9.218 129.784 120.570 -0.006 0.000 2.441 597 I HA 0.521 4.695 4.170 0.007 0.000 0.295 597 I C -1.681 174.012 176.117 -0.707 0.000 0.994 597 I CA -0.694 60.248 61.300 -0.596 0.000 1.144 597 I CB 1.000 38.633 38.000 -0.612 0.000 1.314 597 I HN 0.709 nan 8.210 nan 0.000 0.445 598 Y N 3.733 123.461 120.300 -0.953 0.000 2.788 598 Y HA 0.432 4.986 4.550 0.007 0.000 0.335 598 Y C -1.871 173.879 175.900 -0.250 0.000 1.287 598 Y CA -1.463 56.325 58.100 -0.520 0.000 1.068 598 Y CB 0.254 38.469 38.460 -0.408 0.000 1.340 598 Y HN 0.332 nan 8.280 nan 0.000 0.449 599 Y N 2.241 122.718 120.300 0.294 0.000 2.537 599 Y HA 0.177 4.732 4.550 0.007 0.000 0.339 599 Y C 1.881 177.783 175.900 0.004 0.000 1.066 599 Y CA 0.920 59.128 58.100 0.180 0.000 1.357 599 Y CB 1.088 39.658 38.460 0.183 0.000 1.175 599 Y HN 0.799 nan 8.280 nan 0.000 0.525 600 S N 2.144 117.807 115.700 -0.061 0.000 2.392 600 S HA -0.373 4.101 4.470 0.007 0.000 0.232 600 S C 1.962 176.599 174.600 0.062 0.000 1.041 600 S CA 1.685 59.881 58.200 -0.006 0.000 1.026 600 S CB -0.403 62.792 63.200 -0.008 0.000 0.845 600 S HN 0.828 nan 8.310 nan 0.000 0.465 601 M N 1.445 120.954 119.600 -0.153 0.000 2.202 601 M HA 0.133 4.617 4.480 0.007 0.000 0.262 601 M C 0.926 177.120 176.300 -0.177 0.000 1.063 601 M CA 1.387 56.511 55.300 -0.294 0.000 1.097 601 M CB -0.776 31.486 32.600 -0.563 0.000 1.382 601 M HN 0.412 nan 8.290 nan 0.000 0.413 602 F N -0.713 119.326 119.950 0.148 0.000 2.663 602 F HA 0.328 4.859 4.527 0.007 0.000 0.299 602 F C 1.543 177.295 175.800 -0.079 0.000 1.143 602 F CA -0.530 57.502 58.000 0.053 0.000 1.387 602 F CB -0.793 38.246 39.000 0.066 0.000 1.019 602 F HN 0.212 nan 8.300 nan 0.000 0.523 603 G N 0.312 109.158 108.800 0.077 0.000 3.226 603 G HA2 0.018 3.982 3.960 0.007 0.000 0.190 603 G HA3 0.018 3.982 3.960 0.007 0.000 0.190 603 G C 0.865 175.586 174.900 -0.299 0.000 1.988 603 G CA -0.150 44.774 45.100 -0.293 0.000 0.859 603 G HN 0.123 nan 8.290 nan 0.000 0.631 604 F N 0.848 120.706 119.950 -0.152 0.000 2.192 604 F HA -0.122 4.409 4.527 0.007 0.000 0.301 604 F C 2.904 178.684 175.800 -0.033 0.000 1.079 604 F CA 1.817 59.748 58.000 -0.114 0.000 1.303 604 F CB -0.275 38.627 39.000 -0.163 0.000 1.024 604 F HN 0.305 nan 8.300 nan 0.000 0.494 605 Q N 0.238 120.138 119.800 0.167 0.000 2.124 605 Q HA -0.230 4.114 4.340 0.007 0.000 0.202 605 Q C 2.279 178.346 176.000 0.112 0.000 0.977 605 Q CA 1.512 57.407 55.803 0.154 0.000 0.850 605 Q CB 0.010 28.861 28.738 0.188 0.000 0.901 605 Q HN 0.188 nan 8.270 nan 0.000 0.429 606 R N 0.505 121.058 120.500 0.089 0.000 2.156 606 R HA 0.096 4.440 4.340 0.007 0.000 0.207 606 R C 1.433 177.729 176.300 -0.006 0.000 1.040 606 R CA 1.114 57.248 56.100 0.057 0.000 1.013 606 R CB 0.170 30.527 30.300 0.096 0.000 0.931 606 R HN 0.472 nan 8.270 nan 0.000 0.465 607 I N -3.372 117.164 120.570 -0.056 0.000 3.707 607 I HA 0.524 4.698 4.170 0.007 0.000 0.330 607 I C 0.997 177.088 176.117 -0.044 0.000 1.572 607 I CA -0.180 61.073 61.300 -0.078 0.000 1.104 607 I CB 0.843 38.748 38.000 -0.159 0.000 1.240 607 I HN 0.041 nan 8.210 nan 0.000 0.475 608 G N 1.325 110.141 108.800 0.026 0.000 2.475 608 G HA2 -0.309 3.655 3.960 0.007 0.000 0.220 608 G HA3 -0.309 3.655 3.960 0.007 0.000 0.220 608 G C 1.126 176.125 174.900 0.165 0.000 1.125 608 G CA 1.409 46.585 45.100 0.127 0.000 0.755 608 G HN 0.470 nan 8.290 nan 0.000 0.565 609 D N -0.425 120.042 120.400 0.112 0.000 2.183 609 D HA -0.040 4.604 4.640 0.007 0.000 0.203 609 D C 2.252 178.672 176.300 0.200 0.000 0.969 609 D CA 0.050 54.138 54.000 0.147 0.000 0.842 609 D CB -0.153 40.697 40.800 0.083 0.000 0.957 609 D HN 0.167 nan 8.370 nan 0.000 0.484 610 L N 0.078 121.376 121.223 0.125 0.000 2.156 610 L HA -0.087 4.257 4.340 0.007 0.000 0.208 610 L C 1.829 178.787 176.870 0.147 0.000 1.095 610 L CA 1.054 55.964 54.840 0.116 0.000 0.770 610 L CB -0.788 41.290 42.059 0.031 0.000 0.914 610 L HN 0.203 nan 8.230 nan 0.000 0.439 611 C N -0.932 118.450 119.300 0.137 0.000 2.440 611 C HA -0.196 4.269 4.460 0.007 0.000 0.278 611 C C 2.620 177.845 174.990 0.392 0.000 1.295 611 C CA 0.347 59.485 59.018 0.200 0.000 1.738 611 C CB -1.248 26.613 27.740 0.203 0.000 1.987 611 C HN 0.746 nan 8.230 nan 0.000 0.492 612 W N 1.639 123.055 121.300 0.194 0.000 2.379 612 W HA -0.111 4.553 4.660 0.007 0.000 0.307 612 W C 2.403 179.031 176.519 0.183 0.000 1.200 612 W CA 1.602 59.055 57.345 0.179 0.000 1.297 612 W CB -0.468 29.063 29.460 0.118 0.000 1.140 612 W HN 0.328 nan 8.180 nan 0.000 0.507 613 A N 0.890 123.899 122.820 0.316 0.000 1.972 613 A HA -0.085 4.239 4.320 0.007 0.000 0.219 613 A C 2.118 179.803 177.584 0.168 0.000 1.169 613 A CA 2.393 54.561 52.037 0.219 0.000 0.635 613 A CB -1.210 17.934 19.000 0.239 0.000 0.810 613 A HN 0.304 nan 8.150 nan 0.000 0.446 614 A N -0.436 122.506 122.820 0.203 0.000 1.933 614 A HA 0.120 4.444 4.320 0.007 0.000 0.218 614 A C 2.379 180.118 177.584 0.258 0.000 1.175 614 A CA 1.885 54.052 52.037 0.216 0.000 0.628 614 A CB -1.292 17.846 19.000 0.229 0.000 0.814 614 A HN 0.695 nan 8.150 nan 0.000 0.444 615 G N -0.302 108.663 108.800 0.275 0.000 2.402 615 G HA2 -0.273 3.691 3.960 0.007 0.000 0.216 615 G HA3 -0.273 3.691 3.960 0.007 0.000 0.216 615 G C 1.338 176.236 174.900 -0.003 0.000 1.162 615 G CA 1.345 46.541 45.100 0.159 0.000 0.777 615 G HN 0.517 nan 8.290 nan 0.000 0.539 616 D N 0.125 120.477 120.400 -0.080 0.000 2.144 616 D HA -0.118 4.526 4.640 0.007 0.000 0.199 616 D C 2.245 178.583 176.300 0.062 0.000 0.984 616 D CA 0.907 54.885 54.000 -0.036 0.000 0.834 616 D CB -0.252 40.556 40.800 0.013 0.000 0.955 616 D HN 0.439 nan 8.370 nan 0.000 0.465 617 Q N -0.581 119.274 119.800 0.093 0.000 2.415 617 Q HA 0.009 4.354 4.340 0.007 0.000 0.206 617 Q C -0.209 175.843 176.000 0.086 0.000 0.946 617 Q CA 0.064 55.918 55.803 0.086 0.000 0.951 617 Q CB 0.109 28.911 28.738 0.107 0.000 1.026 617 Q HN 0.147 nan 8.270 nan 0.000 0.510 618 Q N -1.610 118.261 119.800 0.118 0.000 2.478 618 Q HA -0.207 4.137 4.340 0.007 0.000 0.286 618 Q C -0.634 175.502 176.000 0.227 0.000 1.299 618 Q CA 0.938 56.838 55.803 0.163 0.000 0.826 618 Q CB -2.379 26.462 28.738 0.171 0.000 1.199 618 Q HN 0.492 nan 8.270 nan 0.000 0.451 619 A N 1.129 124.068 122.820 0.199 0.000 2.477 619 A HA 0.380 4.704 4.320 0.007 0.000 0.246 619 A C 0.433 178.113 177.584 0.160 0.000 1.078 619 A CA 0.244 52.333 52.037 0.087 0.000 0.770 619 A CB 0.377 19.300 19.000 -0.129 0.000 1.011 619 A HN 0.305 nan 8.150 nan 0.000 0.494 620 R N 1.933 122.472 120.500 0.065 0.000 2.412 620 R HA 0.556 4.900 4.340 0.007 0.000 0.304 620 R C 0.168 176.484 176.300 0.027 0.000 1.066 620 R CA 0.151 56.268 56.100 0.029 0.000 0.923 620 R CB 1.793 31.938 30.300 -0.258 0.000 1.156 620 R HN 1.018 nan 8.270 nan 0.000 0.513 621 G N 1.556 110.369 108.800 0.021 0.000 2.554 621 G HA2 0.505 4.469 3.960 0.007 0.000 0.306 621 G HA3 0.505 4.469 3.960 0.007 0.000 0.306 621 G C -1.795 173.223 174.900 0.196 0.000 1.320 621 G CA -0.578 44.529 45.100 0.010 0.000 0.800 621 G HN 0.211 nan 8.290 nan 0.000 0.481 622 F N 0.177 120.357 119.950 0.383 0.000 2.493 622 F HA 0.622 5.153 4.527 0.007 0.000 0.329 622 F C 0.136 176.167 175.800 0.385 0.000 1.126 622 F CA -0.648 57.557 58.000 0.342 0.000 0.937 622 F CB 2.217 41.197 39.000 -0.034 0.000 1.146 622 F HN 0.096 nan 8.300 nan 0.000 0.442 623 L N 5.180 126.650 121.223 0.412 0.000 2.287 623 L HA 0.493 4.837 4.340 0.007 0.000 0.287 623 L C -0.769 176.215 176.870 0.190 0.000 1.022 623 L CA -0.627 54.287 54.840 0.124 0.000 0.814 623 L CB 1.194 43.241 42.059 -0.021 0.000 1.217 623 L HN 0.431 nan 8.230 nan 0.000 0.420 624 I N 3.361 123.860 120.570 -0.118 0.000 2.359 624 I HA 0.231 4.405 4.170 0.007 0.000 0.284 624 I C 0.829 176.475 176.117 -0.785 0.000 1.018 624 I CA -0.219 60.824 61.300 -0.428 0.000 1.173 624 I CB 1.229 38.776 38.000 -0.754 0.000 1.326 624 I HN 0.588 nan 8.210 nan 0.000 0.462 625 G N 5.537 113.997 108.800 -0.566 0.000 2.621 625 G HA2 0.434 4.398 3.960 0.007 0.000 0.306 625 G HA3 0.434 4.398 3.960 0.007 0.000 0.306 625 G C 0.570 175.161 174.900 -0.514 0.000 0.893 625 G CA -0.280 44.447 45.100 -0.621 0.000 1.486 625 G HN 0.727 nan 8.290 nan 0.000 0.477 626 G N 1.356 109.762 108.800 -0.656 0.000 2.616 626 G HA2 0.458 4.422 3.960 0.007 0.000 0.268 626 G HA3 0.458 4.422 3.960 0.007 0.000 0.268 626 G C 0.969 175.823 174.900 -0.076 0.000 1.213 626 G CA 0.462 45.378 45.100 -0.307 0.000 0.926 626 G HN 1.601 nan 8.290 nan 0.000 0.523 627 T N -2.465 112.105 114.554 0.025 0.000 3.622 627 T HA -0.218 4.136 4.350 0.007 0.000 0.380 627 T C 0.629 175.329 174.700 -0.001 0.000 0.764 627 T CA 0.852 62.948 62.100 -0.007 0.000 1.908 627 T CB -2.627 66.198 68.868 -0.071 0.000 1.771 627 T HN 1.732 nan 8.240 nan 0.000 0.706 628 S N -0.280 115.410 115.700 -0.017 0.000 2.681 628 S HA 0.768 5.242 4.470 0.007 0.000 0.270 628 S C 0.856 175.424 174.600 -0.053 0.000 1.209 628 S CA -0.121 58.075 58.200 -0.008 0.000 0.988 628 S CB 1.441 64.675 63.200 0.057 0.000 1.006 628 S HN 2.427 nan 8.310 nan 0.000 0.558 629 G N 0.495 109.178 108.800 -0.195 0.000 3.019 629 G HA2 -0.122 3.843 3.960 0.007 0.000 0.686 629 G HA3 -0.122 3.843 3.960 0.007 0.000 0.686 629 G C -0.018 174.673 174.900 -0.347 0.000 1.056 629 G CA -0.005 44.847 45.100 -0.414 0.000 0.774 629 G HN 0.881 nan 8.290 nan 0.000 0.583 630 R N 0.720 120.930 120.500 -0.483 0.000 2.083 630 R HA -0.090 4.254 4.340 0.007 0.000 0.237 630 R C 3.034 179.185 176.300 -0.248 0.000 1.137 630 R CA 3.325 59.187 56.100 -0.397 0.000 0.951 630 R CB -0.471 29.428 30.300 -0.667 0.000 0.851 630 R HN 1.129 nan 8.270 nan 0.000 0.434 631 T N -3.879 110.544 114.554 -0.218 0.000 3.081 631 T HA 0.056 4.410 4.350 0.007 0.000 0.255 631 T C 1.463 176.157 174.700 -0.011 0.000 1.113 631 T CA 1.023 63.092 62.100 -0.051 0.000 1.082 631 T CB 0.041 68.898 68.868 -0.019 0.000 0.939 631 T HN 0.179 nan 8.240 nan 0.000 0.506 632 T N 1.847 116.381 114.554 -0.033 0.000 2.978 632 T HA 0.216 4.570 4.350 0.007 0.000 0.262 632 T C 0.704 175.418 174.700 0.023 0.000 1.063 632 T CA 0.157 62.266 62.100 0.015 0.000 1.140 632 T CB -0.194 68.690 68.868 0.027 0.000 0.886 632 T HN 0.254 nan 8.240 nan 0.000 0.470 633 L N 4.506 125.738 121.223 0.013 0.000 2.719 633 L HA 0.326 4.670 4.340 0.007 0.000 0.236 633 L C 1.383 178.276 176.870 0.038 0.000 1.285 633 L CA -0.625 54.236 54.840 0.035 0.000 1.222 633 L CB -0.736 41.363 42.059 0.066 0.000 1.493 633 L HN 0.116 nan 8.230 nan 0.000 0.415 634 N N 0.307 119.030 118.700 0.037 0.000 2.104 634 N HA -0.188 4.556 4.740 0.007 0.000 0.190 634 N C 1.373 176.906 175.510 0.037 0.000 1.024 634 N CA 1.542 54.619 53.050 0.046 0.000 0.853 634 N CB -0.422 38.095 38.487 0.051 0.000 1.008 634 N HN 0.501 nan 8.380 nan 0.000 0.424 635 G N 0.467 109.278 108.800 0.018 0.000 2.551 635 G HA2 -0.101 3.863 3.960 0.007 0.000 0.216 635 G HA3 -0.101 3.863 3.960 0.007 0.000 0.216 635 G C 1.454 176.339 174.900 -0.024 0.000 1.137 635 G CA 0.020 45.121 45.100 0.001 0.000 0.798 635 G HN 0.212 nan 8.290 nan 0.000 0.536 636 E N 0.631 120.804 120.200 -0.045 0.000 2.150 636 E HA 0.100 4.454 4.350 0.007 0.000 0.193 636 E C 1.855 178.429 176.600 -0.042 0.000 0.985 636 E CA 0.763 57.074 56.400 -0.148 0.000 0.814 636 E CB -0.367 29.191 29.700 -0.237 0.000 0.752 636 E HN 0.444 nan 8.360 nan 0.000 0.466 637 G N 1.018 109.849 108.800 0.051 0.000 2.584 637 G HA2 -0.295 3.669 3.960 0.007 0.000 0.229 637 G HA3 -0.295 3.669 3.960 0.007 0.000 0.229 637 G C 0.562 175.567 174.900 0.174 0.000 1.320 637 G CA -0.113 45.049 45.100 0.104 0.000 0.891 637 G HN 0.211 nan 8.290 nan 0.000 0.573 638 L N 0.475 121.799 121.223 0.168 0.000 2.030 638 L HA -0.176 4.169 4.340 0.007 0.000 0.222 638 L C 2.441 179.447 176.870 0.228 0.000 1.082 638 L CA 3.384 58.343 54.840 0.199 0.000 0.785 638 L CB -1.257 40.861 42.059 0.098 0.000 0.895 638 L HN 0.794 nan 8.230 nan 0.000 0.439 639 Q N -2.251 117.684 119.800 0.226 0.000 2.320 639 Q HA -0.037 4.307 4.340 0.007 0.000 0.201 639 Q C 0.947 176.961 176.000 0.023 0.000 0.910 639 Q CA 0.145 56.052 55.803 0.174 0.000 0.946 639 Q CB 0.247 29.077 28.738 0.154 0.000 1.062 639 Q HN 0.669 nan 8.270 nan 0.000 0.503 640 H N -0.781 118.311 119.070 0.037 0.000 2.926 640 H HA 0.164 4.725 4.556 0.007 0.000 0.249 640 H C -0.215 175.080 175.328 -0.054 0.000 0.963 640 H CA -0.153 55.853 56.048 -0.070 0.000 1.158 640 H CB 0.773 30.537 29.762 0.005 0.000 1.445 640 H HN 0.052 nan 8.280 nan 0.000 0.452 641 E N 2.327 122.608 120.200 0.134 0.000 2.081 641 E HA 0.016 4.370 4.350 0.007 0.000 0.270 641 E C -0.684 175.899 176.600 -0.028 0.000 1.180 641 E CA -0.169 56.256 56.400 0.041 0.000 0.926 641 E CB 0.296 30.030 29.700 0.057 0.000 1.035 641 E HN 0.245 nan 8.360 nan 0.000 0.418 642 D N 2.476 122.803 120.400 -0.121 0.000 2.380 642 D HA 0.178 4.823 4.640 0.007 0.000 0.230 642 D C 0.392 176.484 176.300 -0.346 0.000 1.154 642 D CA -0.485 53.371 54.000 -0.240 0.000 0.859 642 D CB 0.817 41.491 40.800 -0.210 0.000 1.045 642 D HN 0.436 nan 8.370 nan 0.000 0.495 643 G N 3.020 111.662 108.800 -0.262 0.000 3.993 643 G HA2 0.038 4.002 3.960 0.007 0.000 0.294 643 G HA3 0.038 4.002 3.960 0.007 0.000 0.294 643 G C 0.458 175.434 174.900 0.126 0.000 1.043 643 G CA -0.414 44.463 45.100 -0.371 0.000 0.839 643 G HN 0.708 nan 8.290 nan 0.000 0.516 644 H N -2.031 117.136 119.070 0.161 0.000 3.726 644 H HA 0.064 4.624 4.556 0.007 0.000 0.262 644 H C 1.610 176.989 175.328 0.085 0.000 1.181 644 H CA 0.692 56.820 56.048 0.134 0.000 1.143 644 H CB -0.418 29.357 29.762 0.022 0.000 1.627 644 H HN 0.227 nan 8.280 nan 0.000 0.750 645 S N 0.654 116.287 115.700 -0.111 0.000 2.419 645 S HA -0.195 4.279 4.470 0.007 0.000 0.233 645 S C 1.565 176.027 174.600 -0.230 0.000 1.016 645 S CA 1.097 59.239 58.200 -0.097 0.000 0.974 645 S CB -0.798 62.427 63.200 0.042 0.000 0.786 645 S HN 0.471 nan 8.310 nan 0.000 0.492 646 H N 0.886 119.788 119.070 -0.280 0.000 2.462 646 H HA 0.138 4.698 4.556 0.007 0.000 0.292 646 H C 1.849 177.032 175.328 -0.242 0.000 1.049 646 H CA 1.244 57.046 56.048 -0.410 0.000 1.334 646 H CB -0.025 29.061 29.762 -1.128 0.000 1.404 646 H HN 0.392 nan 8.280 nan 0.000 0.544 647 I N 0.762 121.302 120.570 -0.049 0.000 2.439 647 I HA -0.174 4.000 4.170 0.007 0.000 0.251 647 I C 2.059 178.145 176.117 -0.053 0.000 1.139 647 I CA 0.989 62.298 61.300 0.015 0.000 1.438 647 I CB -0.757 37.285 38.000 0.071 0.000 1.085 647 I HN 0.248 nan 8.210 nan 0.000 0.427 648 Q N 0.456 120.189 119.800 -0.113 0.000 2.096 648 Q HA -0.107 4.237 4.340 0.007 0.000 0.197 648 Q C 2.367 178.122 176.000 -0.410 0.000 0.964 648 Q CA 1.804 57.510 55.803 -0.162 0.000 0.838 648 Q CB -0.129 28.572 28.738 -0.061 0.000 0.906 648 Q HN 0.558 nan 8.270 nan 0.000 0.444 649 S N 1.191 116.428 115.700 -0.771 0.000 2.423 649 S HA -0.122 4.352 4.470 0.007 0.000 0.231 649 S C 1.925 176.269 174.600 -0.427 0.000 1.014 649 S CA 0.995 58.542 58.200 -1.088 0.000 0.965 649 S CB -0.427 61.987 63.200 -1.311 0.000 0.785 649 S HN 0.421 nan 8.310 nan 0.000 0.495 650 L N 1.802 122.898 121.223 -0.212 0.000 2.551 650 L HA 0.223 4.567 4.340 0.007 0.000 0.228 650 L C 2.057 178.899 176.870 -0.046 0.000 1.153 650 L CA 1.400 56.190 54.840 -0.083 0.000 0.851 650 L CB -1.912 40.150 42.059 0.005 0.000 0.959 650 L HN 0.456 nan 8.230 nan 0.000 0.451 651 T N -2.815 111.716 114.554 -0.039 0.000 3.088 651 T HA 0.237 4.591 4.350 0.007 0.000 0.259 651 T C 0.827 175.659 174.700 0.219 0.000 1.122 651 T CA 0.146 62.288 62.100 0.070 0.000 1.095 651 T CB -0.577 68.323 68.868 0.053 0.000 0.930 651 T HN 0.318 nan 8.240 nan 0.000 0.508 652 I N 2.696 123.331 120.570 0.108 0.000 2.291 652 I HA 0.266 4.440 4.170 0.007 0.000 0.290 652 I C -1.625 174.439 176.117 -0.088 0.000 1.050 652 I CA -2.641 58.703 61.300 0.075 0.000 1.245 652 I CB 1.770 39.799 38.000 0.047 0.000 1.405 652 I HN -0.072 nan 8.210 nan 0.000 0.478 653 P HA -0.211 nan 4.420 nan 0.000 0.217 653 P C 0.565 177.767 177.300 -0.163 0.000 1.158 653 P CA 1.512 64.542 63.100 -0.117 0.000 0.887 653 P CB -0.025 31.601 31.700 -0.123 0.000 0.792 654 N N -1.932 116.637 118.700 -0.218 0.000 2.320 654 N HA 0.034 4.779 4.740 0.007 0.000 0.237 654 N C -0.786 174.484 175.510 -0.400 0.000 1.129 654 N CA -0.373 52.539 53.050 -0.230 0.000 0.854 654 N CB -1.134 37.262 38.487 -0.152 0.000 1.083 654 N HN 0.083 nan 8.380 nan 0.000 0.504 655 C N 1.377 120.400 119.300 -0.463 0.000 2.303 655 C HA 0.603 5.067 4.460 0.007 0.000 0.326 655 C C -0.613 174.178 174.990 -0.331 0.000 1.285 655 C CA -0.996 57.653 59.018 -0.615 0.000 1.675 655 C CB -0.568 26.829 27.740 -0.571 0.000 2.289 655 C HN 0.336 nan 8.230 nan 0.000 0.512 656 I N 6.184 126.561 120.570 -0.322 0.000 2.312 656 I HA 0.322 4.496 4.170 0.007 0.000 0.290 656 I C 0.424 176.366 176.117 -0.291 0.000 1.008 656 I CA 0.278 61.336 61.300 -0.403 0.000 1.226 656 I CB 1.029 38.610 38.000 -0.697 0.000 1.371 656 I HN 0.688 nan 8.210 nan 0.000 0.468 657 S N 6.694 122.263 115.700 -0.218 0.000 2.475 657 S HA 0.711 5.185 4.470 0.007 0.000 0.298 657 S C -0.896 173.610 174.600 -0.156 0.000 1.119 657 S CA -0.446 57.765 58.200 0.018 0.000 1.085 657 S CB 1.234 64.576 63.200 0.237 0.000 1.028 657 S HN 0.351 nan 8.310 nan 0.000 0.489 658 Y N 0.626 121.004 120.300 0.131 0.000 2.512 658 Y HA 0.435 4.989 4.550 0.007 0.000 0.348 658 Y C -0.258 175.685 175.900 0.071 0.000 0.990 658 Y CA -0.988 57.158 58.100 0.076 0.000 1.033 658 Y CB 1.792 40.291 38.460 0.065 0.000 1.259 658 Y HN 0.576 nan 8.280 nan 0.000 0.461 659 D N 3.711 124.204 120.400 0.156 0.000 2.513 659 D HA 0.268 4.912 4.640 0.007 0.000 0.295 659 D C -2.892 173.477 176.300 0.114 0.000 1.202 659 D CA -2.155 51.900 54.000 0.091 0.000 0.849 659 D CB 0.807 41.570 40.800 -0.061 0.000 1.116 659 D HN 0.057 nan 8.370 nan 0.000 0.502 660 P HA 0.152 nan 4.420 nan 0.000 0.271 660 P C 0.098 177.397 177.300 -0.001 0.000 1.218 660 P CA -0.174 62.957 63.100 0.052 0.000 0.780 660 P CB 2.007 33.733 31.700 0.044 0.000 0.901 661 A N 2.577 125.318 122.820 -0.131 0.000 2.014 661 A HA 0.166 4.490 4.320 0.007 0.000 0.210 661 A C 0.504 177.962 177.584 -0.210 0.000 1.188 661 A CA 0.617 52.504 52.037 -0.251 0.000 0.731 661 A CB -0.366 18.262 19.000 -0.619 0.000 0.858 661 A HN 0.600 nan 8.150 nan 0.000 0.464 662 Y N -2.565 117.699 120.300 -0.060 0.000 2.549 662 Y HA 0.518 5.072 4.550 0.007 0.000 0.339 662 Y C 1.491 177.243 175.900 -0.245 0.000 1.053 662 Y CA -0.788 57.193 58.100 -0.198 0.000 1.105 662 Y CB 1.780 39.897 38.460 -0.572 0.000 1.258 662 Y HN 0.081 nan 8.280 nan 0.000 0.478 663 A N 1.383 124.225 122.820 0.036 0.000 1.908 663 A HA -0.265 4.059 4.320 0.007 0.000 0.218 663 A C 1.763 179.371 177.584 0.041 0.000 1.181 663 A CA 2.241 54.294 52.037 0.025 0.000 0.627 663 A CB -1.195 17.829 19.000 0.041 0.000 0.818 663 A HN 0.931 nan 8.150 nan 0.000 0.445 664 Y N -0.351 120.009 120.300 0.100 0.000 2.352 664 Y HA 0.011 4.565 4.550 0.007 0.000 0.292 664 Y C 1.774 177.703 175.900 0.048 0.000 1.136 664 Y CA 1.089 59.220 58.100 0.052 0.000 1.227 664 Y CB -0.825 37.650 38.460 0.024 0.000 0.991 664 Y HN 0.411 nan 8.280 nan 0.000 0.545 665 E N 0.778 120.906 120.200 -0.121 0.000 2.072 665 E HA -0.110 4.244 4.350 0.007 0.000 0.191 665 E C 2.291 178.884 176.600 -0.011 0.000 0.985 665 E CA 1.344 57.741 56.400 -0.005 0.000 0.801 665 E CB -0.232 29.438 29.700 -0.050 0.000 0.750 665 E HN 0.372 nan 8.360 nan 0.000 0.452 666 V N 1.689 121.596 119.914 -0.012 0.000 2.287 666 V HA -0.320 3.804 4.120 0.007 0.000 0.248 666 V C 2.367 178.445 176.094 -0.026 0.000 1.053 666 V CA 1.990 64.295 62.300 0.009 0.000 1.027 666 V CB -0.771 31.081 31.823 0.048 0.000 0.646 666 V HN 0.335 nan 8.190 nan 0.000 0.447 667 A N -0.296 122.506 122.820 -0.031 0.000 1.877 667 A HA -0.171 4.153 4.320 0.007 0.000 0.216 667 A C 2.392 179.833 177.584 -0.239 0.000 1.186 667 A CA 2.188 54.136 52.037 -0.148 0.000 0.620 667 A CB -0.767 18.223 19.000 -0.018 0.000 0.822 667 A HN 0.334 nan 8.150 nan 0.000 0.443 668 V N 0.255 120.115 119.914 -0.091 0.000 2.343 668 V HA -0.283 3.841 4.120 0.007 0.000 0.247 668 V C 2.438 178.496 176.094 -0.060 0.000 1.051 668 V CA 2.092 64.354 62.300 -0.063 0.000 1.036 668 V CB -0.739 31.084 31.823 -0.000 0.000 0.654 668 V HN 0.567 nan 8.190 nan 0.000 0.451 669 I N -0.784 119.723 120.570 -0.105 0.000 2.179 669 I HA -0.315 3.859 4.170 0.007 0.000 0.242 669 I C 2.526 178.637 176.117 -0.009 0.000 1.088 669 I CA 1.930 63.135 61.300 -0.158 0.000 1.357 669 I CB -0.321 37.486 38.000 -0.321 0.000 1.051 669 I HN 0.261 nan 8.210 nan 0.000 0.409 670 M N -0.591 118.994 119.600 -0.026 0.000 2.159 670 M HA -0.235 4.249 4.480 0.007 0.000 0.263 670 M C 2.510 178.764 176.300 -0.078 0.000 1.063 670 M CA 1.593 56.887 55.300 -0.010 0.000 1.110 670 M CB -0.763 31.764 32.600 -0.122 0.000 1.374 670 M HN 0.358 nan 8.290 nan 0.000 0.411 671 H N -0.040 118.831 119.070 -0.332 0.000 2.357 671 H HA -0.179 4.381 4.556 0.007 0.000 0.301 671 H C 1.461 176.757 175.328 -0.053 0.000 1.082 671 H CA 2.151 58.038 56.048 -0.268 0.000 1.342 671 H CB -0.136 29.385 29.762 -0.403 0.000 1.389 671 H HN 0.331 nan 8.280 nan 0.000 0.511 672 D N -0.222 120.130 120.400 -0.081 0.000 2.117 672 D HA -0.075 4.569 4.640 0.007 0.000 0.197 672 D C 2.466 178.694 176.300 -0.120 0.000 0.987 672 D CA 1.567 55.532 54.000 -0.058 0.000 0.829 672 D CB -0.724 40.129 40.800 0.088 0.000 0.961 672 D HN 0.524 nan 8.370 nan 0.000 0.460 673 G N 0.595 109.254 108.800 -0.235 0.000 2.446 673 G HA2 -0.236 3.728 3.960 0.007 0.000 0.217 673 G HA3 -0.236 3.728 3.960 0.007 0.000 0.217 673 G C 1.792 176.557 174.900 -0.224 0.000 1.168 673 G CA 0.571 45.231 45.100 -0.734 0.000 0.771 673 G HN 0.349 nan 8.290 nan 0.000 0.551 674 L N -0.045 121.238 121.223 0.100 0.000 2.012 674 L HA -0.130 4.214 4.340 0.007 0.000 0.210 674 L C 2.921 179.836 176.870 0.074 0.000 1.073 674 L CA 1.953 56.916 54.840 0.205 0.000 0.748 674 L CB -0.234 41.929 42.059 0.173 0.000 0.891 674 L HN 0.298 nan 8.230 nan 0.000 0.431 675 E N 0.239 120.379 120.200 -0.101 0.000 2.077 675 E HA -0.216 4.138 4.350 0.007 0.000 0.193 675 E C 2.198 178.779 176.600 -0.032 0.000 0.989 675 E CA 1.446 57.796 56.400 -0.082 0.000 0.800 675 E CB 0.025 29.612 29.700 -0.189 0.000 0.746 675 E HN 0.271 nan 8.360 nan 0.000 0.452 676 R N -0.654 119.816 120.500 -0.050 0.000 2.073 676 R HA -0.046 4.299 4.340 0.007 0.000 0.234 676 R C 2.553 178.799 176.300 -0.091 0.000 1.134 676 R CA 1.977 58.054 56.100 -0.039 0.000 0.952 676 R CB -0.287 30.024 30.300 0.019 0.000 0.850 676 R HN 0.300 nan 8.270 nan 0.000 0.433 677 M N -1.436 118.085 119.600 -0.131 0.000 2.248 677 M HA -0.047 4.437 4.480 0.007 0.000 0.265 677 M C 0.868 176.863 176.300 -0.508 0.000 1.079 677 M CA 1.498 56.605 55.300 -0.322 0.000 1.150 677 M CB 0.227 32.625 32.600 -0.337 0.000 1.366 677 M HN 0.105 nan 8.290 nan 0.000 0.433 678 Y N -0.155 120.178 120.300 0.055 0.000 2.531 678 Y HA 0.383 4.937 4.550 0.007 0.000 0.249 678 Y C 1.289 177.341 175.900 0.255 0.000 1.168 678 Y CA -0.712 57.513 58.100 0.209 0.000 1.226 678 Y CB 0.090 38.607 38.460 0.095 0.000 1.177 678 Y HN 0.059 nan 8.280 nan 0.000 0.527 679 G N -0.361 108.543 108.800 0.175 0.000 2.568 679 G HA2 0.105 4.069 3.960 0.007 0.000 0.293 679 G HA3 0.105 4.069 3.960 0.007 0.000 0.293 679 G C 0.699 175.626 174.900 0.045 0.000 1.347 679 G CA -0.330 44.845 45.100 0.125 0.000 1.039 679 G HN 0.077 nan 8.290 nan 0.000 0.523 680 E N -0.330 119.881 120.200 0.018 0.000 2.130 680 E HA -0.207 4.147 4.350 0.007 0.000 0.196 680 E C 2.123 178.666 176.600 -0.094 0.000 0.998 680 E CA 1.153 57.529 56.400 -0.040 0.000 0.806 680 E CB -0.094 29.597 29.700 -0.015 0.000 0.738 680 E HN 0.585 nan 8.360 nan 0.000 0.459 681 K N 0.778 121.134 120.400 -0.073 0.000 2.103 681 K HA -0.176 4.148 4.320 0.007 0.000 0.207 681 K C 0.469 176.981 176.600 -0.147 0.000 1.048 681 K CA 0.915 57.148 56.287 -0.089 0.000 0.930 681 K CB 0.054 32.518 32.500 -0.059 0.000 0.716 681 K HN 0.057 nan 8.250 nan 0.000 0.444 682 Q N 1.114 120.794 119.800 -0.200 0.000 2.439 682 Q HA -0.204 4.140 4.340 0.007 0.000 0.325 682 Q C -0.983 174.867 176.000 -0.251 0.000 1.372 682 Q CA 0.590 56.207 55.803 -0.311 0.000 0.909 682 Q CB -1.353 27.120 28.738 -0.441 0.000 1.167 682 Q HN 0.450 nan 8.270 nan 0.000 0.418 683 E N 0.874 120.961 120.200 -0.189 0.000 2.344 683 E HA 0.043 4.397 4.350 0.007 0.000 0.270 683 E C -0.097 176.417 176.600 -0.143 0.000 1.021 683 E CA -0.328 55.996 56.400 -0.127 0.000 0.887 683 E CB 0.566 30.225 29.700 -0.068 0.000 0.997 683 E HN 0.178 nan 8.360 nan 0.000 0.429 684 N N 3.964 122.607 118.700 -0.094 0.000 2.663 684 N HA 0.140 4.885 4.740 0.007 0.000 0.250 684 N C -1.031 174.470 175.510 -0.015 0.000 1.129 684 N CA 0.097 53.115 53.050 -0.052 0.000 0.995 684 N CB 0.948 39.431 38.487 -0.006 0.000 1.324 684 N HN 0.172 nan 8.380 nan 0.000 0.512 685 V N 2.697 122.615 119.914 0.006 0.000 3.178 685 V HA 0.549 4.673 4.120 0.007 0.000 0.302 685 V C -1.792 174.403 176.094 0.168 0.000 1.262 685 V CA -0.845 61.475 62.300 0.032 0.000 1.030 685 V CB 2.129 33.958 31.823 0.010 0.000 1.074 685 V HN 0.483 nan 8.190 nan 0.000 0.438 686 Y N 2.886 123.278 120.300 0.154 0.000 2.602 686 Y HA 0.864 5.418 4.550 0.007 0.000 0.342 686 Y C -1.624 174.464 175.900 0.313 0.000 1.029 686 Y CA -1.493 56.751 58.100 0.239 0.000 1.080 686 Y CB 1.266 39.966 38.460 0.399 0.000 1.284 686 Y HN 0.529 nan 8.280 nan 0.000 0.485 687 Y N 1.373 121.822 120.300 0.248 0.000 2.420 687 Y HA 0.464 5.018 4.550 0.007 0.000 0.334 687 Y C -1.082 175.104 175.900 0.476 0.000 1.094 687 Y CA -1.392 56.848 58.100 0.233 0.000 1.126 687 Y CB 1.593 40.062 38.460 0.014 0.000 1.217 687 Y HN 0.689 nan 8.280 nan 0.000 0.462 688 Y N 4.073 124.585 120.300 0.353 0.000 2.346 688 Y HA 0.661 5.215 4.550 0.007 0.000 0.332 688 Y C -1.556 174.513 175.900 0.281 0.000 0.985 688 Y CA -1.935 56.350 58.100 0.310 0.000 1.112 688 Y CB 0.664 39.294 38.460 0.284 0.000 1.170 688 Y HN 0.480 nan 8.280 nan 0.000 0.447 689 I N 6.181 126.655 120.570 -0.160 0.000 2.447 689 I HA 0.302 4.476 4.170 0.007 0.000 0.287 689 I C -0.448 175.390 176.117 -0.465 0.000 1.023 689 I CA -0.916 60.279 61.300 -0.176 0.000 1.083 689 I CB 2.247 40.301 38.000 0.089 0.000 1.245 689 I HN 0.631 nan 8.210 nan 0.000 0.434 690 T N 1.534 115.834 114.554 -0.423 0.000 2.817 690 T HA 0.543 4.897 4.350 0.007 0.000 0.293 690 T C 0.165 174.792 174.700 -0.122 0.000 0.964 690 T CA -0.612 61.307 62.100 -0.302 0.000 1.085 690 T CB 1.197 70.022 68.868 -0.072 0.000 0.921 690 T HN 0.697 nan 8.240 nan 0.000 0.502 691 T N 0.904 115.372 114.554 -0.144 0.000 2.930 691 T HA 0.762 5.117 4.350 0.007 0.000 0.290 691 T C -0.456 174.224 174.700 -0.033 0.000 1.052 691 T CA -1.113 60.942 62.100 -0.076 0.000 1.017 691 T CB 1.026 69.824 68.868 -0.117 0.000 1.137 691 T HN 0.560 nan 8.240 nan 0.000 0.511 692 L N 1.673 122.895 121.223 -0.002 0.000 2.303 692 L HA 0.566 4.910 4.340 0.007 0.000 0.266 692 L C 0.818 177.685 176.870 -0.006 0.000 1.011 692 L CA -1.187 53.660 54.840 0.011 0.000 0.818 692 L CB 1.509 43.598 42.059 0.049 0.000 1.326 692 L HN 0.891 nan 8.230 nan 0.000 0.435 693 N N -0.551 118.146 118.700 -0.005 0.000 2.214 693 N HA 0.027 4.771 4.740 0.007 0.000 0.214 693 N C -0.235 175.264 175.510 -0.019 0.000 1.132 693 N CA -0.196 52.839 53.050 -0.024 0.000 0.856 693 N CB 0.507 38.967 38.487 -0.046 0.000 1.020 693 N HN 0.685 nan 8.380 nan 0.000 0.509 694 E N 0.806 121.000 120.200 -0.009 0.000 2.151 694 E HA 0.236 4.590 4.350 0.007 0.000 0.275 694 E C -0.996 175.536 176.600 -0.112 0.000 0.936 694 E CA -0.646 55.767 56.400 0.021 0.000 0.777 694 E CB 0.704 30.497 29.700 0.154 0.000 1.108 694 E HN 0.097 nan 8.360 nan 0.000 0.401 695 N N 3.234 121.896 118.700 -0.064 0.000 2.498 695 N HA 0.288 5.032 4.740 0.007 0.000 0.287 695 N C -1.099 174.410 175.510 -0.001 0.000 1.097 695 N CA 0.019 52.987 53.050 -0.136 0.000 0.973 695 N CB 0.828 39.290 38.487 -0.042 0.000 1.153 695 N HN 0.407 nan 8.380 nan 0.000 0.472 696 Y N -2.723 117.625 120.300 0.081 0.000 2.750 696 Y HA 0.309 4.863 4.550 0.007 0.000 0.335 696 Y C -0.234 175.743 175.900 0.129 0.000 1.252 696 Y CA -1.225 56.938 58.100 0.105 0.000 1.064 696 Y CB 0.496 39.018 38.460 0.104 0.000 1.321 696 Y HN 0.448 nan 8.280 nan 0.000 0.451 697 H N 3.277 122.543 119.070 0.327 0.000 3.034 697 H HA 0.186 4.747 4.556 0.007 0.000 0.324 697 H C -0.884 174.594 175.328 0.250 0.000 1.015 697 H CA 0.464 56.634 56.048 0.203 0.000 1.429 697 H CB 0.711 30.546 29.762 0.122 0.000 1.429 697 H HN 0.558 nan 8.280 nan 0.000 0.585 698 M N 8.657 128.005 119.600 -0.421 0.000 2.036 698 M HA 0.237 4.721 4.480 0.007 0.000 0.337 698 M C -2.394 173.575 176.300 -0.552 0.000 1.012 698 M CA -2.320 52.797 55.300 -0.304 0.000 0.962 698 M CB 1.059 33.600 32.600 -0.099 0.000 1.423 698 M HN 0.493 nan 8.290 nan 0.000 0.405 699 P HA 0.278 nan 4.420 nan 0.000 0.274 699 P C -0.491 176.778 177.300 -0.052 0.000 1.256 699 P CA -0.346 62.600 63.100 -0.257 0.000 0.795 699 P CB 0.864 32.462 31.700 -0.171 0.000 1.038 700 A N 2.086 124.868 122.820 -0.062 0.000 2.351 700 A HA 0.336 4.660 4.320 0.007 0.000 0.257 700 A C 0.661 177.995 177.584 -0.417 0.000 1.087 700 A CA -0.598 51.363 52.037 -0.126 0.000 0.798 700 A CB -0.259 18.679 19.000 -0.103 0.000 1.033 700 A HN 0.709 nan 8.150 nan 0.000 0.488 701 M N 1.989 121.129 119.600 -0.767 0.000 2.239 701 M HA 0.252 4.736 4.480 0.007 0.000 0.348 701 M C -2.228 173.711 176.300 -0.602 0.000 1.239 701 M CA -1.297 53.179 55.300 -1.372 0.000 1.114 701 M CB 0.323 32.321 32.600 -1.004 0.000 1.641 701 M HN 0.326 nan 8.290 nan 0.000 0.453 702 P HA 0.053 nan 4.420 nan 0.000 0.271 702 P C -1.275 175.912 177.300 -0.188 0.000 1.216 702 P CA -0.150 62.830 63.100 -0.199 0.000 0.776 702 P CB 0.459 32.124 31.700 -0.059 0.000 0.881 703 E N 1.885 122.012 120.200 -0.121 0.000 2.465 703 E HA 0.152 4.506 4.350 0.007 0.000 0.260 703 E C 1.027 177.580 176.600 -0.078 0.000 0.980 703 E CA 0.817 57.159 56.400 -0.096 0.000 0.927 703 E CB -0.425 29.238 29.700 -0.062 0.000 0.934 703 E HN 0.759 nan 8.360 nan 0.000 0.459 704 G N 2.902 111.655 108.800 -0.078 0.000 2.184 704 G HA2 -0.367 3.597 3.960 0.007 0.000 0.264 704 G HA3 -0.367 3.597 3.960 0.007 0.000 0.264 704 G C 0.775 175.636 174.900 -0.065 0.000 0.975 704 G CA 0.506 45.574 45.100 -0.053 0.000 0.642 704 G HN 0.775 nan 8.290 nan 0.000 0.536 705 A N -0.164 122.572 122.820 -0.140 0.000 2.208 705 A HA 0.444 4.768 4.320 0.007 0.000 0.209 705 A C 1.824 179.276 177.584 -0.220 0.000 1.161 705 A CA 1.717 53.609 52.037 -0.242 0.000 0.782 705 A CB -0.206 18.488 19.000 -0.510 0.000 0.816 705 A HN 0.554 nan 8.150 nan 0.000 0.477 706 E N 0.304 120.429 120.200 -0.126 0.000 2.048 706 E HA -0.262 4.092 4.350 0.007 0.000 0.202 706 E C 1.883 178.470 176.600 -0.022 0.000 1.021 706 E CA 1.767 58.125 56.400 -0.069 0.000 0.825 706 E CB -0.233 29.441 29.700 -0.045 0.000 0.756 706 E HN 0.648 nan 8.360 nan 0.000 0.454 707 E N 0.049 120.253 120.200 0.008 0.000 2.110 707 E HA -0.103 4.251 4.350 0.007 0.000 0.193 707 E C 2.093 178.727 176.600 0.056 0.000 0.988 707 E CA 1.468 57.890 56.400 0.037 0.000 0.804 707 E CB -0.693 29.044 29.700 0.061 0.000 0.745 707 E HN 0.286 nan 8.360 nan 0.000 0.458 708 G N 0.548 109.415 108.800 0.111 0.000 2.422 708 G HA2 -0.234 3.730 3.960 0.007 0.000 0.218 708 G HA3 -0.234 3.730 3.960 0.007 0.000 0.218 708 G C 1.673 176.698 174.900 0.208 0.000 1.146 708 G CA 0.951 46.194 45.100 0.238 0.000 0.769 708 G HN 0.324 nan 8.290 nan 0.000 0.547 709 I N 0.155 120.781 120.570 0.092 0.000 2.179 709 I HA -0.172 4.002 4.170 0.007 0.000 0.242 709 I C 3.068 179.285 176.117 0.166 0.000 1.088 709 I CA 1.082 62.470 61.300 0.147 0.000 1.357 709 I CB -0.181 37.843 38.000 0.039 0.000 1.051 709 I HN 0.105 nan 8.210 nan 0.000 0.409 710 R N 0.575 121.133 120.500 0.097 0.000 2.075 710 R HA -0.113 4.231 4.340 0.007 0.000 0.232 710 R C 2.267 178.654 176.300 0.143 0.000 1.126 710 R CA 0.936 57.117 56.100 0.136 0.000 0.963 710 R CB -0.253 30.095 30.300 0.080 0.000 0.858 710 R HN 0.194 nan 8.270 nan 0.000 0.435 711 K N -0.800 119.559 120.400 -0.069 0.000 2.211 711 K HA -0.023 4.301 4.320 0.007 0.000 0.203 711 K C 1.428 177.885 176.600 -0.238 0.000 1.050 711 K CA 1.416 57.490 56.287 -0.356 0.000 0.945 711 K CB 0.257 32.110 32.500 -1.078 0.000 0.732 711 K HN 0.527 nan 8.250 nan 0.000 0.451 712 G N 0.665 109.451 108.800 -0.023 0.000 2.367 712 G HA2 -0.126 3.838 3.960 0.007 0.000 0.181 712 G HA3 -0.126 3.838 3.960 0.007 0.000 0.181 712 G C 0.108 175.012 174.900 0.006 0.000 1.000 712 G CA -0.073 45.012 45.100 -0.024 0.000 0.693 712 G HN 0.272 nan 8.290 nan 0.000 0.480 713 I N 0.124 120.790 120.570 0.160 0.000 2.800 713 I HA 0.613 4.787 4.170 0.007 0.000 0.294 713 I C -1.691 174.662 176.117 0.393 0.000 1.538 713 I CA -1.442 59.959 61.300 0.168 0.000 1.010 713 I CB 1.853 39.861 38.000 0.015 0.000 1.381 713 I HN 0.486 nan 8.210 nan 0.000 0.462 714 Y N 3.893 124.323 120.300 0.216 0.000 2.592 714 Y HA 0.486 5.040 4.550 0.007 0.000 0.334 714 Y C -1.571 174.473 175.900 0.240 0.000 1.136 714 Y CA -1.233 57.004 58.100 0.228 0.000 1.042 714 Y CB 0.978 39.551 38.460 0.188 0.000 1.325 714 Y HN 0.508 nan 8.280 nan 0.000 0.457 715 K N 2.937 123.455 120.400 0.196 0.000 2.312 715 K HA 0.342 4.666 4.320 0.007 0.000 0.287 715 K C -0.157 176.421 176.600 -0.037 0.000 1.062 715 K CA -0.322 55.893 56.287 -0.120 0.000 0.934 715 K CB 0.753 33.156 32.500 -0.163 0.000 1.027 715 K HN 1.007 nan 8.250 nan 0.000 0.478 716 L N 3.141 124.272 121.223 -0.153 0.000 2.068 716 L HA -0.074 4.270 4.340 0.007 0.000 0.204 716 L C 0.473 177.349 176.870 0.009 0.000 1.076 716 L CA 1.246 56.099 54.840 0.023 0.000 0.753 716 L CB -0.002 42.071 42.059 0.023 0.000 0.910 716 L HN 0.808 nan 8.230 nan 0.000 0.439 717 E N -2.949 117.202 120.200 -0.083 0.000 2.417 717 E HA 0.284 4.638 4.350 0.007 0.000 0.280 717 E C -1.288 175.247 176.600 -0.108 0.000 1.112 717 E CA -0.857 55.506 56.400 -0.062 0.000 0.863 717 E CB 1.197 30.887 29.700 -0.016 0.000 1.346 717 E HN -0.312 nan 8.360 nan 0.000 0.443 718 T N 1.317 115.831 114.554 -0.066 0.000 2.812 718 T HA 0.518 4.872 4.350 0.007 0.000 0.282 718 T C -0.441 174.245 174.700 -0.024 0.000 0.990 718 T CA -0.523 61.542 62.100 -0.058 0.000 0.960 718 T CB 0.434 69.275 68.868 -0.045 0.000 0.948 718 T HN 0.328 nan 8.240 nan 0.000 0.438 719 I N 2.916 123.479 120.570 -0.013 0.000 2.377 719 I HA 0.335 4.509 4.170 0.007 0.000 0.293 719 I C 0.379 176.504 176.117 0.013 0.000 0.987 719 I CA -1.063 60.240 61.300 0.005 0.000 1.185 719 I CB 1.355 39.363 38.000 0.014 0.000 1.341 719 I HN 0.385 nan 8.210 nan 0.000 0.455 720 E N 4.080 124.289 120.200 0.015 0.000 2.383 720 E HA 0.543 4.897 4.350 0.007 0.000 0.264 720 E C 0.076 176.693 176.600 0.028 0.000 1.050 720 E CA -0.123 56.288 56.400 0.019 0.000 0.896 720 E CB 1.526 31.235 29.700 0.015 0.000 0.982 720 E HN 0.854 nan 8.360 nan 0.000 0.424 721 G N -0.215 108.603 108.800 0.030 0.000 2.715 721 G HA2 0.211 4.175 3.960 0.007 0.000 0.297 721 G HA3 0.211 4.175 3.960 0.007 0.000 0.297 721 G C 0.265 175.187 174.900 0.036 0.000 1.386 721 G CA -0.083 45.041 45.100 0.039 0.000 1.157 721 G HN 0.366 nan 8.290 nan 0.000 0.585 722 S N 1.015 116.736 115.700 0.034 0.000 2.501 722 S HA 0.050 4.524 4.470 0.007 0.000 0.220 722 S C 1.649 176.270 174.600 0.035 0.000 0.997 722 S CA 0.447 58.665 58.200 0.030 0.000 0.919 722 S CB 0.173 63.388 63.200 0.024 0.000 0.778 722 S HN 0.300 nan 8.310 nan 0.000 0.523 723 K N 1.597 122.024 120.400 0.045 0.000 2.418 723 K HA 0.464 4.788 4.320 0.007 0.000 0.195 723 K C 0.961 177.591 176.600 0.050 0.000 1.035 723 K CA 0.513 56.831 56.287 0.051 0.000 1.003 723 K CB 0.129 32.671 32.500 0.070 0.000 0.793 723 K HN 0.553 nan 8.250 nan 0.000 0.494 724 G N -0.791 108.038 108.800 0.048 0.000 2.322 724 G HA2 0.363 4.327 3.960 0.007 0.000 0.295 724 G HA3 0.363 4.327 3.960 0.007 0.000 0.295 724 G C -1.824 173.102 174.900 0.043 0.000 1.369 724 G CA -0.752 44.374 45.100 0.043 0.000 0.821 724 G HN -0.134 nan 8.290 nan 0.000 0.536 725 K N -0.186 120.239 120.400 0.041 0.000 2.550 725 K HA 0.637 4.961 4.320 0.007 0.000 0.252 725 K C -0.756 175.875 176.600 0.051 0.000 0.943 725 K CA -0.414 55.900 56.287 0.045 0.000 0.806 725 K CB 1.790 34.315 32.500 0.042 0.000 1.289 725 K HN 1.439 nan 8.250 nan 0.000 0.435 726 V N -0.170 119.780 119.914 0.060 0.000 3.158 726 V HA 0.643 4.767 4.120 0.007 0.000 0.311 726 V C -1.060 175.099 176.094 0.108 0.000 1.181 726 V CA -0.951 61.394 62.300 0.074 0.000 1.054 726 V CB 2.084 33.944 31.823 0.062 0.000 1.085 726 V HN 0.726 nan 8.190 nan 0.000 0.446 727 Q N 1.052 120.939 119.800 0.144 0.000 2.337 727 Q HA 0.754 5.098 4.340 0.007 0.000 0.266 727 Q C -1.588 174.543 176.000 0.220 0.000 1.023 727 Q CA -0.601 55.347 55.803 0.242 0.000 0.829 727 Q CB 2.673 31.575 28.738 0.273 0.000 1.306 727 Q HN 0.699 nan 8.270 nan 0.000 0.449 728 L N 3.366 124.741 121.223 0.253 0.000 2.381 728 L HA 0.556 4.900 4.340 0.007 0.000 0.274 728 L C -1.238 175.785 176.870 0.256 0.000 0.988 728 L CA -0.826 54.130 54.840 0.194 0.000 0.824 728 L CB 1.230 43.359 42.059 0.117 0.000 1.263 728 L HN 0.337 nan 8.230 nan 0.000 0.410 729 L N 2.370 123.725 121.223 0.220 0.000 2.362 729 L HA 0.968 5.312 4.340 0.007 0.000 0.271 729 L C 0.283 177.264 176.870 0.184 0.000 1.002 729 L CA -0.149 54.820 54.840 0.216 0.000 0.818 729 L CB 2.088 44.300 42.059 0.256 0.000 1.298 729 L HN 0.634 nan 8.230 nan 0.000 0.420 730 G N -0.020 108.857 108.800 0.129 0.000 2.692 730 G HA2 0.733 4.698 3.960 0.007 0.000 0.291 730 G HA3 0.733 4.698 3.960 0.007 0.000 0.291 730 G C -1.590 173.358 174.900 0.080 0.000 1.423 730 G CA -0.146 45.031 45.100 0.128 0.000 0.843 730 G HN 0.712 nan 8.290 nan 0.000 0.486 731 S N -1.070 114.712 115.700 0.137 0.000 2.651 731 S HA 0.878 5.352 4.470 0.007 0.000 0.279 731 S C 0.855 175.528 174.600 0.121 0.000 1.148 731 S CA 0.653 58.917 58.200 0.108 0.000 0.837 731 S CB 1.298 64.631 63.200 0.220 0.000 1.138 731 S HN 2.714 nan 8.310 nan 0.000 0.478 732 G N 2.033 110.891 108.800 0.097 0.000 2.594 732 G HA2 -0.351 3.613 3.960 0.007 0.000 0.297 732 G HA3 -0.351 3.613 3.960 0.007 0.000 0.297 732 G C 1.106 176.061 174.900 0.090 0.000 1.273 732 G CA 1.670 46.845 45.100 0.124 0.000 0.974 732 G HN 2.204 nan 8.290 nan 0.000 0.552 733 S N -0.531 115.256 115.700 0.145 0.000 2.481 733 S HA 0.087 4.561 4.470 0.007 0.000 0.231 733 S C 2.159 176.831 174.600 0.121 0.000 0.996 733 S CA 1.537 59.833 58.200 0.161 0.000 0.942 733 S CB 0.057 63.384 63.200 0.212 0.000 0.768 733 S HN 0.549 nan 8.310 nan 0.000 0.520 734 I N 1.217 121.857 120.570 0.118 0.000 2.876 734 I HA 0.119 4.293 4.170 0.007 0.000 0.264 734 I C 2.112 178.303 176.117 0.123 0.000 1.204 734 I CA 0.249 61.647 61.300 0.163 0.000 1.485 734 I CB -1.260 36.795 38.000 0.091 0.000 1.103 734 I HN 0.328 nan 8.210 nan 0.000 0.446 735 L N 2.426 123.654 121.223 0.008 0.000 2.013 735 L HA -0.224 4.120 4.340 0.007 0.000 0.212 735 L C 2.837 179.660 176.870 -0.078 0.000 1.073 735 L CA 2.004 56.812 54.840 -0.053 0.000 0.753 735 L CB -0.694 41.256 42.059 -0.182 0.000 0.890 735 L HN 0.335 nan 8.230 nan 0.000 0.432 736 R N -2.033 118.344 120.500 -0.205 0.000 2.193 736 R HA -0.191 4.153 4.340 0.007 0.000 0.229 736 R C 1.804 177.941 176.300 -0.270 0.000 1.110 736 R CA 1.903 57.847 56.100 -0.259 0.000 0.988 736 R CB -0.970 29.037 30.300 -0.489 0.000 0.871 736 R HN 0.500 nan 8.270 nan 0.000 0.458 737 H N -0.101 118.932 119.070 -0.062 0.000 2.448 737 H HA 0.097 4.657 4.556 0.007 0.000 0.292 737 H C 1.973 177.296 175.328 -0.008 0.000 1.035 737 H CA 1.151 57.184 56.048 -0.024 0.000 1.349 737 H CB 0.371 30.126 29.762 -0.011 0.000 1.425 737 H HN -0.056 nan 8.280 nan 0.000 0.539 738 V N 0.806 120.778 119.914 0.097 0.000 2.427 738 V HA -0.192 3.932 4.120 0.007 0.000 0.248 738 V C 2.109 178.230 176.094 0.046 0.000 1.051 738 V CA 1.604 63.947 62.300 0.071 0.000 1.048 738 V CB -0.247 31.620 31.823 0.072 0.000 0.666 738 V HN 0.396 nan 8.190 nan 0.000 0.456 739 R N -0.070 120.446 120.500 0.026 0.000 2.115 739 R HA -0.165 4.179 4.340 0.007 0.000 0.230 739 R C 2.324 178.634 176.300 0.018 0.000 1.111 739 R CA 1.464 57.579 56.100 0.025 0.000 0.976 739 R CB -0.265 30.056 30.300 0.034 0.000 0.870 739 R HN 0.635 nan 8.270 nan 0.000 0.445 740 E N 1.133 121.333 120.200 0.001 0.000 2.077 740 E HA -0.181 4.173 4.350 0.007 0.000 0.193 740 E C 1.937 178.550 176.600 0.022 0.000 0.989 740 E CA 1.137 57.539 56.400 0.004 0.000 0.800 740 E CB -0.017 29.678 29.700 -0.008 0.000 0.746 740 E HN 0.335 nan 8.360 nan 0.000 0.452 741 A N 1.270 124.105 122.820 0.024 0.000 1.933 741 A HA -0.119 4.205 4.320 0.007 0.000 0.218 741 A C 2.407 180.017 177.584 0.044 0.000 1.175 741 A CA 1.817 53.865 52.037 0.020 0.000 0.628 741 A CB -0.775 18.235 19.000 0.017 0.000 0.814 741 A HN 0.432 nan 8.150 nan 0.000 0.444 742 A N -0.378 122.469 122.820 0.044 0.000 1.902 742 A HA -0.159 4.165 4.320 0.007 0.000 0.217 742 A C 1.954 179.573 177.584 0.058 0.000 1.181 742 A CA 1.727 53.793 52.037 0.048 0.000 0.623 742 A CB -0.407 18.615 19.000 0.036 0.000 0.818 742 A HN 0.469 nan 8.150 nan 0.000 0.443 743 E N 0.040 120.271 120.200 0.051 0.000 2.072 743 E HA -0.138 4.216 4.350 0.007 0.000 0.191 743 E C 2.020 178.670 176.600 0.083 0.000 0.985 743 E CA 1.091 57.524 56.400 0.055 0.000 0.801 743 E CB -0.457 29.267 29.700 0.040 0.000 0.750 743 E HN 0.738 nan 8.360 nan 0.000 0.452 744 I N 0.920 121.552 120.570 0.102 0.000 2.179 744 I HA -0.287 3.887 4.170 0.007 0.000 0.242 744 I C 2.538 178.810 176.117 0.258 0.000 1.088 744 I CA 0.935 62.338 61.300 0.171 0.000 1.357 744 I CB -0.339 37.770 38.000 0.182 0.000 1.051 744 I HN 0.044 nan 8.210 nan 0.000 0.409 745 L N 0.478 121.832 121.223 0.219 0.000 2.042 745 L HA -0.241 4.103 4.340 0.007 0.000 0.210 745 L C 2.816 179.821 176.870 0.225 0.000 1.076 745 L CA 1.527 56.517 54.840 0.250 0.000 0.749 745 L CB -0.670 41.460 42.059 0.117 0.000 0.893 745 L HN 0.271 nan 8.230 nan 0.000 0.432 746 A N -0.155 122.748 122.820 0.138 0.000 1.854 746 A HA -0.229 4.095 4.320 0.007 0.000 0.214 746 A C 2.390 180.023 177.584 0.082 0.000 1.192 746 A CA 1.843 53.938 52.037 0.097 0.000 0.611 746 A CB -0.436 18.602 19.000 0.064 0.000 0.832 746 A HN 0.307 nan 8.150 nan 0.000 0.442 747 K N -0.824 119.620 120.400 0.073 0.000 2.057 747 K HA -0.175 4.149 4.320 0.007 0.000 0.206 747 K C 0.939 177.536 176.600 -0.004 0.000 1.050 747 K CA 1.793 58.101 56.287 0.036 0.000 0.935 747 K CB -0.126 32.396 32.500 0.036 0.000 0.715 747 K HN 0.353 nan 8.250 nan 0.000 0.439 748 D N -1.210 119.187 120.400 -0.005 0.000 2.301 748 D HA -0.021 4.623 4.640 0.007 0.000 0.206 748 D C 0.567 176.566 176.300 -0.501 0.000 0.979 748 D CA 0.890 54.740 54.000 -0.249 0.000 0.874 748 D CB 0.290 40.911 40.800 -0.299 0.000 0.968 748 D HN 0.305 nan 8.370 nan 0.000 0.510 749 Y N -1.005 119.321 120.300 0.045 0.000 2.527 749 Y HA 0.346 4.900 4.550 0.007 0.000 0.247 749 Y C 1.600 177.517 175.900 0.029 0.000 1.138 749 Y CA -0.104 58.017 58.100 0.036 0.000 1.228 749 Y CB 0.916 39.404 38.460 0.047 0.000 1.252 749 Y HN -0.047 nan 8.280 nan 0.000 0.531 750 G N 1.012 109.891 108.800 0.131 0.000 2.179 750 G HA2 -0.276 3.688 3.960 0.007 0.000 0.257 750 G HA3 -0.276 3.688 3.960 0.007 0.000 0.257 750 G C -0.235 174.724 174.900 0.098 0.000 1.010 750 G CA 0.407 45.560 45.100 0.088 0.000 0.736 750 G HN 0.144 nan 8.290 nan 0.000 0.513 751 V N 0.905 120.896 119.914 0.129 0.000 2.364 751 V HA 0.666 4.790 4.120 0.007 0.000 0.272 751 V C 1.283 177.422 176.094 0.076 0.000 1.036 751 V CA 0.009 62.367 62.300 0.097 0.000 0.880 751 V CB 1.136 33.016 31.823 0.096 0.000 0.991 751 V HN 0.616 nan 8.190 nan 0.000 0.460 752 G N 3.788 112.622 108.800 0.057 0.000 2.580 752 G HA2 0.662 4.626 3.960 0.007 0.000 0.278 752 G HA3 0.662 4.626 3.960 0.007 0.000 0.278 752 G C -0.194 174.732 174.900 0.043 0.000 1.212 752 G CA 0.229 45.355 45.100 0.045 0.000 0.939 752 G HN 1.045 nan 8.290 nan 0.000 0.513 753 S N -0.953 114.766 115.700 0.032 0.000 2.587 753 S HA 0.462 4.936 4.470 0.007 0.000 0.269 753 S C -2.050 172.548 174.600 -0.004 0.000 1.154 753 S CA -1.014 57.206 58.200 0.032 0.000 0.824 753 S CB 2.287 65.512 63.200 0.042 0.000 1.118 753 S HN 0.430 nan 8.310 nan 0.000 0.462 754 D N 1.160 121.555 120.400 -0.009 0.000 2.308 754 D HA 0.549 5.193 4.640 0.007 0.000 0.242 754 D C -0.762 175.391 176.300 -0.244 0.000 1.059 754 D CA -0.197 53.703 54.000 -0.166 0.000 0.830 754 D CB 2.020 42.745 40.800 -0.125 0.000 1.161 754 D HN 0.436 nan 8.370 nan 0.000 0.494 755 V N 3.427 123.133 119.914 -0.348 0.000 2.398 755 V HA 0.343 4.467 4.120 0.007 0.000 0.286 755 V C -0.806 175.047 176.094 -0.402 0.000 1.026 755 V CA -0.652 61.521 62.300 -0.213 0.000 0.868 755 V CB 0.631 32.405 31.823 -0.082 0.000 0.982 755 V HN 0.357 nan 8.190 nan 0.000 0.443 756 Y N 1.713 121.975 120.300 -0.063 0.000 2.446 756 Y HA 0.576 5.130 4.550 0.007 0.000 0.345 756 Y C 0.453 176.219 175.900 -0.224 0.000 0.984 756 Y CA -0.798 57.206 58.100 -0.160 0.000 1.058 756 Y CB 2.140 40.525 38.460 -0.125 0.000 1.220 756 Y HN 0.532 nan 8.280 nan 0.000 0.455 757 S N 2.346 117.873 115.700 -0.288 0.000 2.422 757 S HA 0.469 4.943 4.470 0.007 0.000 0.308 757 S C -1.150 173.292 174.600 -0.263 0.000 1.097 757 S CA -0.649 57.373 58.200 -0.295 0.000 1.099 757 S CB 0.400 63.367 63.200 -0.388 0.000 0.976 757 S HN 0.639 nan 8.310 nan 0.000 0.471 758 V N 6.544 126.320 119.914 -0.230 0.000 2.311 758 V HA 0.421 4.545 4.120 0.007 0.000 0.275 758 V C 1.113 177.072 176.094 -0.225 0.000 1.022 758 V CA 0.187 62.274 62.300 -0.355 0.000 0.830 758 V CB 0.530 31.816 31.823 -0.894 0.000 1.012 758 V HN 1.076 nan 8.190 nan 0.000 0.452 759 T N 2.015 116.548 114.554 -0.034 0.000 3.035 759 T HA 0.069 4.423 4.350 0.007 0.000 0.268 759 T C 0.871 175.630 174.700 0.098 0.000 1.109 759 T CA 0.970 63.145 62.100 0.125 0.000 1.119 759 T CB -0.028 69.020 68.868 0.300 0.000 0.900 759 T HN 0.974 nan 8.240 nan 0.000 0.503 760 S N -0.556 115.065 115.700 -0.132 0.000 2.387 760 S HA 0.423 4.897 4.470 0.007 0.000 0.211 760 S C -0.093 174.313 174.600 -0.323 0.000 1.055 760 S CA -0.841 57.202 58.200 -0.263 0.000 1.133 760 S CB -0.516 62.350 63.200 -0.557 0.000 1.235 760 S HN 0.250 nan 8.310 nan 0.000 0.425 761 F N 1.972 121.673 119.950 -0.414 0.000 2.171 761 F HA -0.093 4.438 4.527 0.007 0.000 0.300 761 F C 2.647 178.257 175.800 -0.317 0.000 1.090 761 F CA 1.857 59.569 58.000 -0.480 0.000 1.293 761 F CB -0.043 38.378 39.000 -0.965 0.000 1.013 761 F HN 0.478 nan 8.300 nan 0.000 0.486 762 T N -0.897 113.621 114.554 -0.060 0.000 2.777 762 T HA -0.154 4.200 4.350 0.007 0.000 0.266 762 T C 1.810 176.445 174.700 -0.110 0.000 1.040 762 T CA 1.269 63.353 62.100 -0.027 0.000 1.141 762 T CB -0.178 68.716 68.868 0.044 0.000 0.868 762 T HN 0.131 nan 8.240 nan 0.000 0.444 763 E N 1.013 121.090 120.200 -0.206 0.000 2.150 763 E HA 0.026 4.380 4.350 0.007 0.000 0.193 763 E C 2.255 178.746 176.600 -0.182 0.000 0.985 763 E CA 0.572 56.834 56.400 -0.230 0.000 0.814 763 E CB -0.322 29.177 29.700 -0.335 0.000 0.752 763 E HN 0.476 nan 8.360 nan 0.000 0.466 764 L N 0.200 121.327 121.223 -0.160 0.000 2.093 764 L HA -0.104 4.240 4.340 0.007 0.000 0.208 764 L C 2.489 179.283 176.870 -0.126 0.000 1.085 764 L CA 0.979 55.748 54.840 -0.119 0.000 0.755 764 L CB -0.438 41.565 42.059 -0.094 0.000 0.904 764 L HN 0.045 nan 8.230 nan 0.000 0.435 765 A N 0.263 123.041 122.820 -0.070 0.000 1.898 765 A HA -0.185 4.139 4.320 0.007 0.000 0.216 765 A C 2.379 179.870 177.584 -0.155 0.000 1.181 765 A CA 1.342 53.358 52.037 -0.034 0.000 0.620 765 A CB -0.408 18.629 19.000 0.063 0.000 0.819 765 A HN 0.295 nan 8.150 nan 0.000 0.442 766 R N -0.529 119.896 120.500 -0.126 0.000 2.081 766 R HA -0.151 4.193 4.340 0.007 0.000 0.235 766 R C 2.038 178.231 176.300 -0.178 0.000 1.131 766 R CA 1.635 57.660 56.100 -0.126 0.000 0.960 766 R CB -0.471 29.765 30.300 -0.107 0.000 0.856 766 R HN 0.758 nan 8.270 nan 0.000 0.436 767 D N -0.354 119.927 120.400 -0.198 0.000 2.104 767 D HA -0.129 4.515 4.640 0.007 0.000 0.194 767 D C 1.981 178.106 176.300 -0.292 0.000 0.994 767 D CA 1.620 55.505 54.000 -0.192 0.000 0.830 767 D CB -0.243 40.469 40.800 -0.147 0.000 0.959 767 D HN 0.231 nan 8.370 nan 0.000 0.452 768 G N -0.463 108.010 108.800 -0.545 0.000 2.418 768 G HA2 -0.301 3.663 3.960 0.007 0.000 0.217 768 G HA3 -0.301 3.663 3.960 0.007 0.000 0.217 768 G C 1.623 176.020 174.900 -0.839 0.000 1.158 768 G CA 0.830 45.284 45.100 -1.077 0.000 0.771 768 G HN 0.360 nan 8.290 nan 0.000 0.545 769 Q N 0.173 119.634 119.800 -0.566 0.000 2.084 769 Q HA -0.112 4.232 4.340 0.007 0.000 0.202 769 Q C 2.247 178.220 176.000 -0.044 0.000 0.978 769 Q CA 1.442 57.177 55.803 -0.112 0.000 0.844 769 Q CB -0.131 28.599 28.738 -0.014 0.000 0.898 769 Q HN 0.344 nan 8.270 nan 0.000 0.426 770 D N 0.034 120.387 120.400 -0.078 0.000 2.117 770 D HA -0.138 4.506 4.640 0.007 0.000 0.197 770 D C 1.927 178.257 176.300 0.050 0.000 0.987 770 D CA 0.895 54.891 54.000 -0.006 0.000 0.829 770 D CB -0.423 40.352 40.800 -0.042 0.000 0.961 770 D HN 0.264 nan 8.370 nan 0.000 0.460 771 C N 1.098 120.391 119.300 -0.012 0.000 2.432 771 C HA -0.066 4.398 4.460 0.007 0.000 0.277 771 C C 2.508 177.594 174.990 0.159 0.000 1.249 771 C CA 0.455 59.502 59.018 0.048 0.000 1.725 771 C CB -0.544 27.182 27.740 -0.022 0.000 2.028 771 C HN 0.338 nan 8.230 nan 0.000 0.477 772 E N 0.557 120.834 120.200 0.129 0.000 2.106 772 E HA -0.166 4.189 4.350 0.007 0.000 0.192 772 E C 2.172 178.868 176.600 0.159 0.000 0.984 772 E CA 0.712 57.212 56.400 0.168 0.000 0.806 772 E CB -0.551 29.274 29.700 0.208 0.000 0.750 772 E HN 0.658 nan 8.360 nan 0.000 0.458 773 R N -0.165 120.424 120.500 0.149 0.000 2.070 773 R HA -0.180 4.164 4.340 0.007 0.000 0.233 773 R C 2.186 178.590 176.300 0.174 0.000 1.137 773 R CA 1.735 57.913 56.100 0.130 0.000 0.945 773 R CB -0.555 29.814 30.300 0.114 0.000 0.845 773 R HN 0.215 nan 8.270 nan 0.000 0.430 774 W N 2.125 123.470 121.300 0.075 0.000 2.335 774 W HA -0.177 4.487 4.660 0.007 0.000 0.311 774 W C 1.763 178.410 176.519 0.213 0.000 1.213 774 W CA 1.872 59.300 57.345 0.138 0.000 1.274 774 W CB -0.292 29.175 29.460 0.010 0.000 1.148 774 W HN 0.200 nan 8.180 nan 0.000 0.498 775 N N 0.611 119.547 118.700 0.394 0.000 2.043 775 N HA -0.268 4.476 4.740 0.007 0.000 0.193 775 N C 1.703 177.238 175.510 0.042 0.000 1.037 775 N CA 2.653 55.849 53.050 0.244 0.000 0.851 775 N CB -1.357 37.272 38.487 0.236 0.000 1.027 775 N HN 0.448 nan 8.380 nan 0.000 0.422 776 M N -1.062 118.560 119.600 0.038 0.000 2.358 776 M HA 0.035 4.519 4.480 0.007 0.000 0.264 776 M C 1.123 177.358 176.300 -0.109 0.000 1.064 776 M CA 1.489 56.777 55.300 -0.020 0.000 1.093 776 M CB -0.116 32.486 32.600 0.002 0.000 1.401 776 M HN -0.087 nan 8.290 nan 0.000 0.440 777 L N -0.460 120.659 121.223 -0.174 0.000 2.558 777 L HA 0.155 4.499 4.340 0.007 0.000 0.225 777 L C 0.126 176.532 176.870 -0.773 0.000 1.128 777 L CA 0.882 55.487 54.840 -0.391 0.000 0.868 777 L CB -0.642 41.195 42.059 -0.371 0.000 1.006 777 L HN 0.448 nan 8.230 nan 0.000 0.454 778 H N -1.755 117.011 119.070 -0.507 0.000 2.511 778 H HA 0.231 4.791 4.556 0.007 0.000 0.228 778 H C -1.651 173.505 175.328 -0.287 0.000 1.424 778 H CA -1.348 54.379 56.048 -0.536 0.000 1.321 778 H CB 0.205 29.283 29.762 -1.140 0.000 1.720 778 H HN -0.065 nan 8.280 nan 0.000 0.512 779 P HA -0.174 nan 4.420 nan 0.000 0.220 779 P C 0.916 178.209 177.300 -0.012 0.000 1.144 779 P CA 1.136 64.208 63.100 -0.046 0.000 0.800 779 P CB 0.598 32.264 31.700 -0.058 0.000 0.772 780 L N -1.574 119.640 121.223 -0.015 0.000 2.529 780 L HA 0.163 4.507 4.340 0.007 0.000 0.223 780 L C 1.373 178.270 176.870 0.046 0.000 1.113 780 L CA 0.246 55.092 54.840 0.011 0.000 0.861 780 L CB -0.454 41.605 42.059 0.000 0.000 1.012 780 L HN -0.031 nan 8.230 nan 0.000 0.461 781 E N -0.149 120.094 120.200 0.072 0.000 2.267 781 E HA 0.213 4.567 4.350 0.007 0.000 0.258 781 E C -0.200 176.509 176.600 0.181 0.000 1.074 781 E CA -0.622 55.864 56.400 0.144 0.000 0.915 781 E CB 0.956 30.793 29.700 0.228 0.000 1.186 781 E HN -0.112 nan 8.360 nan 0.000 0.439 782 T N 3.642 118.310 114.554 0.189 0.000 2.793 782 T HA 0.090 4.444 4.350 0.007 0.000 0.289 782 T C -2.248 172.583 174.700 0.218 0.000 0.956 782 T CA -0.908 61.282 62.100 0.148 0.000 1.177 782 T CB -0.046 68.875 68.868 0.088 0.000 0.897 782 T HN 0.160 nan 8.240 nan 0.000 0.533 783 P HA 0.179 nan 4.420 nan 0.000 0.268 783 P C 0.083 177.450 177.300 0.112 0.000 1.204 783 P CA -0.275 62.945 63.100 0.199 0.000 0.768 783 P CB 0.542 32.321 31.700 0.131 0.000 0.842 784 R N 1.542 122.105 120.500 0.106 0.000 2.390 784 R HA 0.357 4.701 4.340 0.007 0.000 0.291 784 R C -0.576 175.727 176.300 0.005 0.000 1.070 784 R CA -0.688 55.390 56.100 -0.036 0.000 1.014 784 R CB 0.600 30.812 30.300 -0.147 0.000 1.007 784 R HN 0.255 nan 8.270 nan 0.000 0.466 785 V N 5.448 125.347 119.914 -0.025 0.000 2.394 785 V HA 0.222 4.346 4.120 0.007 0.000 0.282 785 V C -2.018 174.061 176.094 -0.025 0.000 1.031 785 V CA -2.305 59.987 62.300 -0.013 0.000 0.881 785 V CB 1.439 33.246 31.823 -0.026 0.000 0.982 785 V HN 0.649 nan 8.190 nan 0.000 0.451 786 P HA -0.027 nan 4.420 nan 0.000 0.264 786 P C 0.319 177.612 177.300 -0.012 0.000 1.183 786 P CA 0.270 63.348 63.100 -0.037 0.000 0.763 786 P CB 0.348 32.031 31.700 -0.029 0.000 0.807 787 Y N 3.920 124.161 120.300 -0.098 0.000 2.151 787 Y HA -0.230 4.324 4.550 0.007 0.000 0.284 787 Y C 2.004 177.865 175.900 -0.066 0.000 1.166 787 Y CA 1.518 59.575 58.100 -0.072 0.000 1.163 787 Y CB -0.418 37.998 38.460 -0.073 0.000 0.974 787 Y HN 0.328 nan 8.280 nan 0.000 0.511 788 I N -0.270 120.331 120.570 0.051 0.000 2.454 788 I HA -0.261 3.913 4.170 0.007 0.000 0.254 788 I C 2.141 178.182 176.117 -0.126 0.000 1.156 788 I CA 1.464 62.739 61.300 -0.043 0.000 1.433 788 I CB -0.272 37.705 38.000 -0.039 0.000 1.082 788 I HN 0.322 nan 8.210 nan 0.000 0.432 789 A N -0.487 122.277 122.820 -0.093 0.000 2.206 789 A HA -0.095 4.229 4.320 0.007 0.000 0.211 789 A C 1.973 179.487 177.584 -0.117 0.000 1.158 789 A CA 0.684 52.668 52.037 -0.089 0.000 0.761 789 A CB -0.303 18.676 19.000 -0.036 0.000 0.801 789 A HN 0.606 nan 8.150 nan 0.000 0.473 790 Q N -1.022 118.663 119.800 -0.193 0.000 2.319 790 Q HA 0.160 4.504 4.340 0.007 0.000 0.202 790 Q C 1.004 176.872 176.000 -0.221 0.000 0.896 790 Q CA 0.321 55.991 55.803 -0.222 0.000 0.942 790 Q CB 0.588 29.129 28.738 -0.329 0.000 1.083 790 Q HN 0.498 nan 8.270 nan 0.000 0.510 791 V N -0.689 119.109 119.914 -0.193 0.000 3.090 791 V HA 0.137 4.261 4.120 0.007 0.000 0.237 791 V C 0.815 176.914 176.094 0.008 0.000 1.209 791 V CA 0.468 62.723 62.300 -0.075 0.000 1.209 791 V CB 0.365 32.147 31.823 -0.069 0.000 0.971 791 V HN 0.231 nan 8.190 nan 0.000 0.477 792 M N 1.573 121.080 119.600 -0.155 0.000 2.283 792 M HA 0.327 4.811 4.480 0.007 0.000 0.314 792 M C 0.218 176.494 176.300 -0.041 0.000 1.153 792 M CA 0.078 55.266 55.300 -0.186 0.000 1.084 792 M CB 0.854 33.244 32.600 -0.349 0.000 1.468 792 M HN 0.540 nan 8.290 nan 0.000 0.474 793 N N -0.675 118.034 118.700 0.015 0.000 3.061 793 N HA 0.321 5.065 4.740 0.007 0.000 0.346 793 N C -0.486 175.028 175.510 0.006 0.000 1.392 793 N CA -0.698 52.365 53.050 0.023 0.000 0.762 793 N CB 0.268 38.790 38.487 0.059 0.000 1.367 793 N HN 0.592 nan 8.380 nan 0.000 0.607 794 D N -1.576 118.834 120.400 0.016 0.000 2.349 794 D HA 0.201 4.845 4.640 0.007 0.000 0.214 794 D C 0.090 176.405 176.300 0.027 0.000 1.063 794 D CA -0.419 53.588 54.000 0.011 0.000 0.847 794 D CB -0.563 40.242 40.800 0.008 0.000 0.933 794 D HN 0.657 nan 8.370 nan 0.000 0.513 795 A N 2.046 124.892 122.820 0.044 0.000 2.445 795 A HA 0.377 4.701 4.320 0.007 0.000 0.242 795 A C -2.084 175.537 177.584 0.061 0.000 1.075 795 A CA -1.021 51.048 52.037 0.053 0.000 0.777 795 A CB -0.223 18.817 19.000 0.067 0.000 1.013 795 A HN 0.092 nan 8.150 nan 0.000 0.493 796 P HA 0.214 nan 4.420 nan 0.000 0.264 796 P C -0.449 176.907 177.300 0.092 0.000 1.183 796 P CA 0.590 63.730 63.100 0.066 0.000 0.763 796 P CB 0.630 32.358 31.700 0.047 0.000 0.807 797 A N 3.329 126.226 122.820 0.129 0.000 2.380 797 A HA 0.699 5.023 4.320 0.007 0.000 0.315 797 A C -0.913 176.750 177.584 0.131 0.000 1.101 797 A CA -0.687 51.455 52.037 0.175 0.000 0.771 797 A CB 1.607 20.763 19.000 0.261 0.000 1.287 797 A HN 0.337 nan 8.150 nan 0.000 0.436 798 V N 0.541 120.514 119.914 0.099 0.000 2.638 798 V HA 0.745 4.869 4.120 0.007 0.000 0.306 798 V C 0.088 176.199 176.094 0.027 0.000 1.052 798 V CA -0.179 62.120 62.300 -0.002 0.000 0.885 798 V CB 1.569 33.398 31.823 0.009 0.000 0.999 798 V HN 1.414 nan 8.190 nan 0.000 0.424 799 A N 3.025 125.792 122.820 -0.088 0.000 2.374 799 A HA 0.954 5.278 4.320 0.007 0.000 0.317 799 A C -0.499 177.066 177.584 -0.031 0.000 1.094 799 A CA -0.605 51.443 52.037 0.018 0.000 0.765 799 A CB 2.083 21.111 19.000 0.047 0.000 1.268 799 A HN 0.841 nan 8.150 nan 0.000 0.438 800 S N -0.029 115.703 115.700 0.054 0.000 2.546 800 S HA 0.823 5.297 4.470 0.007 0.000 0.272 800 S C -0.513 174.150 174.600 0.105 0.000 1.140 800 S CA 0.280 58.502 58.200 0.037 0.000 0.920 800 S CB 1.408 64.629 63.200 0.035 0.000 1.083 800 S HN 1.899 nan 8.310 nan 0.000 0.476 801 T N 0.456 115.072 114.554 0.104 0.000 2.787 801 T HA 0.483 4.837 4.350 0.007 0.000 0.297 801 T C -0.441 174.315 174.700 0.093 0.000 1.221 801 T CA -0.509 61.711 62.100 0.201 0.000 1.006 801 T CB 1.404 70.526 68.868 0.425 0.000 1.328 801 T HN 0.303 nan 8.240 nan 0.000 0.509 802 D N -0.546 119.891 120.400 0.061 0.000 2.324 802 D HA 0.245 4.889 4.640 0.007 0.000 0.235 802 D C -0.715 175.245 176.300 -0.567 0.000 1.095 802 D CA 0.183 54.037 54.000 -0.242 0.000 0.871 802 D CB -0.301 40.331 40.800 -0.280 0.000 0.906 802 D HN 0.434 nan 8.370 nan 0.000 0.522 803 Y N -0.211 120.061 120.300 -0.045 0.000 2.621 803 Y HA 0.338 4.892 4.550 0.007 0.000 0.334 803 Y C 0.899 176.775 175.900 -0.041 0.000 1.074 803 Y CA -1.483 56.572 58.100 -0.076 0.000 1.149 803 Y CB 0.718 39.080 38.460 -0.163 0.000 1.302 803 Y HN -0.197 nan 8.280 nan 0.000 0.501 804 M N 0.117 119.780 119.600 0.104 0.000 2.252 804 M HA 0.147 4.631 4.480 0.007 0.000 0.321 804 M C 0.593 176.931 176.300 0.064 0.000 1.070 804 M CA 0.058 55.383 55.300 0.043 0.000 1.143 804 M CB 0.441 33.061 32.600 0.033 0.000 1.498 804 M HN 0.684 nan 8.290 nan 0.000 0.445 805 K N 0.763 121.160 120.400 -0.006 0.000 2.107 805 K HA -0.215 4.109 4.320 0.007 0.000 0.211 805 K C 1.752 178.318 176.600 -0.056 0.000 1.049 805 K CA 1.706 57.961 56.287 -0.052 0.000 0.927 805 K CB -0.525 31.929 32.500 -0.076 0.000 0.714 805 K HN 0.631 nan 8.250 nan 0.000 0.452 806 L N 0.697 121.914 121.223 -0.010 0.000 2.129 806 L HA -0.182 4.162 4.340 0.007 0.000 0.212 806 L C 1.959 178.835 176.870 0.010 0.000 1.087 806 L CA 1.464 56.302 54.840 -0.003 0.000 0.757 806 L CB -0.541 41.532 42.059 0.023 0.000 0.896 806 L HN 0.116 nan 8.230 nan 0.000 0.434 807 F N 0.170 120.045 119.950 -0.125 0.000 2.161 807 F HA -0.205 4.326 4.527 0.007 0.000 0.300 807 F C 2.162 177.689 175.800 -0.456 0.000 1.089 807 F CA 1.524 59.416 58.000 -0.179 0.000 1.282 807 F CB -0.607 38.331 39.000 -0.104 0.000 1.010 807 F HN 0.153 nan 8.300 nan 0.000 0.485 808 A N -0.806 121.577 122.820 -0.728 0.000 2.044 808 A HA 0.052 4.376 4.320 0.007 0.000 0.213 808 A C 2.041 179.314 177.584 -0.517 0.000 1.169 808 A CA 0.623 51.831 52.037 -1.381 0.000 0.724 808 A CB -0.554 17.785 19.000 -1.102 0.000 0.840 808 A HN 0.424 nan 8.150 nan 0.000 0.463 809 E N 0.383 120.436 120.200 -0.245 0.000 2.268 809 E HA -0.214 4.140 4.350 0.007 0.000 0.195 809 E C 2.030 178.635 176.600 0.008 0.000 0.995 809 E CA 1.016 57.398 56.400 -0.031 0.000 0.836 809 E CB -0.134 29.530 29.700 -0.060 0.000 0.763 809 E HN 0.907 nan 8.360 nan 0.000 0.491 810 Q N 0.439 120.211 119.800 -0.047 0.000 2.368 810 Q HA -0.115 4.229 4.340 0.007 0.000 0.210 810 Q C 1.797 177.848 176.000 0.084 0.000 0.982 810 Q CA 1.542 57.355 55.803 0.015 0.000 0.884 810 Q CB -0.253 28.496 28.738 0.018 0.000 0.933 810 Q HN 0.298 nan 8.270 nan 0.000 0.460 811 V N -2.970 116.998 119.914 0.091 0.000 3.621 811 V HA 0.227 4.351 4.120 0.007 0.000 0.285 811 V C 1.981 178.026 176.094 -0.081 0.000 1.346 811 V CA 0.295 62.690 62.300 0.158 0.000 1.104 811 V CB -0.165 31.770 31.823 0.186 0.000 0.913 811 V HN 0.106 nan 8.190 nan 0.000 0.432 812 R N 2.300 122.736 120.500 -0.107 0.000 2.136 812 R HA -0.190 4.154 4.340 0.007 0.000 0.242 812 R C 2.131 178.236 176.300 -0.326 0.000 1.131 812 R CA 2.972 58.972 56.100 -0.167 0.000 0.937 812 R CB -1.594 28.702 30.300 -0.006 0.000 0.863 812 R HN 0.530 nan 8.270 nan 0.000 0.435 813 T N -0.274 113.979 114.554 -0.503 0.000 2.802 813 T HA -0.198 4.156 4.350 0.007 0.000 0.269 813 T C 1.141 175.407 174.700 -0.723 0.000 1.062 813 T CA 1.937 63.623 62.100 -0.689 0.000 1.133 813 T CB -0.364 67.918 68.868 -0.978 0.000 0.852 813 T HN 0.463 nan 8.240 nan 0.000 0.485 814 Y N -0.081 120.162 120.300 -0.094 0.000 2.462 814 Y HA 0.375 4.929 4.550 0.007 0.000 0.261 814 Y C 0.901 176.710 175.900 -0.152 0.000 1.146 814 Y CA -0.712 57.329 58.100 -0.099 0.000 1.283 814 Y CB 0.083 38.498 38.460 -0.076 0.000 1.090 814 Y HN -0.081 nan 8.280 nan 0.000 0.526 815 V N 5.484 125.284 119.914 -0.190 0.000 2.446 815 V HA 0.016 4.140 4.120 0.007 0.000 0.276 815 V C -1.447 174.547 176.094 -0.168 0.000 1.030 815 V CA -1.275 60.862 62.300 -0.272 0.000 1.033 815 V CB 0.769 32.238 31.823 -0.590 0.000 0.993 815 V HN 0.134 nan 8.190 nan 0.000 0.477 816 P HA 0.217 nan 4.420 nan 0.000 0.254 816 P C -0.200 177.067 177.300 -0.054 0.000 1.631 816 P CA 0.261 63.319 63.100 -0.069 0.000 0.861 816 P CB 0.326 31.993 31.700 -0.054 0.000 1.663 817 A N 0.763 123.546 122.820 -0.062 0.000 2.386 817 A HA 0.424 4.748 4.320 0.007 0.000 0.311 817 A C 1.134 178.715 177.584 -0.004 0.000 1.068 817 A CA -0.656 51.370 52.037 -0.020 0.000 0.743 817 A CB 1.166 20.167 19.000 0.002 0.000 1.258 817 A HN 0.031 nan 8.150 nan 0.000 0.429 818 D N 0.708 121.114 120.400 0.010 0.000 2.178 818 D HA -0.105 4.539 4.640 0.007 0.000 0.201 818 D C -0.361 175.959 176.300 0.032 0.000 0.980 818 D CA 1.026 55.034 54.000 0.013 0.000 0.842 818 D CB 0.213 41.020 40.800 0.012 0.000 0.948 818 D HN 0.421 nan 8.370 nan 0.000 0.472 819 D N -0.962 119.470 120.400 0.053 0.000 2.502 819 D HA 0.234 4.878 4.640 0.007 0.000 0.249 819 D C -1.795 174.593 176.300 0.146 0.000 1.092 819 D CA -0.778 53.265 54.000 0.072 0.000 0.839 819 D CB 1.084 41.911 40.800 0.045 0.000 1.264 819 D HN -0.052 nan 8.370 nan 0.000 0.511 820 Y N 3.811 124.097 120.300 -0.023 0.000 2.445 820 Y HA 0.370 4.924 4.550 0.007 0.000 0.332 820 Y C -0.908 174.975 175.900 -0.028 0.000 1.037 820 Y CA -0.743 57.343 58.100 -0.024 0.000 1.296 820 Y CB 0.524 38.962 38.460 -0.036 0.000 1.099 820 Y HN 0.207 nan 8.280 nan 0.000 0.496 821 R N 3.983 124.340 120.500 -0.239 0.000 2.297 821 R HA 0.656 5.000 4.340 0.007 0.000 0.308 821 R C -1.188 174.847 176.300 -0.441 0.000 1.029 821 R CA -0.825 55.116 56.100 -0.266 0.000 0.929 821 R CB 1.651 31.876 30.300 -0.125 0.000 1.046 821 R HN 0.361 nan 8.270 nan 0.000 0.461 822 V N 5.569 125.247 119.914 -0.393 0.000 2.448 822 V HA 0.381 4.505 4.120 0.007 0.000 0.295 822 V C -0.094 175.876 176.094 -0.206 0.000 1.025 822 V CA -0.738 61.336 62.300 -0.376 0.000 0.859 822 V CB 1.723 33.294 31.823 -0.421 0.000 0.988 822 V HN 0.574 nan 8.190 nan 0.000 0.431 823 L N 3.933 125.063 121.223 -0.156 0.000 2.331 823 L HA 0.993 5.337 4.340 0.007 0.000 0.275 823 L C 0.613 177.428 176.870 -0.093 0.000 1.022 823 L CA -0.184 54.591 54.840 -0.108 0.000 0.812 823 L CB 1.940 43.954 42.059 -0.075 0.000 1.257 823 L HN 0.811 nan 8.230 nan 0.000 0.435 824 G N -0.800 107.950 108.800 -0.084 0.000 2.600 824 G HA2 0.394 4.358 3.960 0.007 0.000 0.293 824 G HA3 0.394 4.358 3.960 0.007 0.000 0.293 824 G C -0.363 174.498 174.900 -0.064 0.000 1.408 824 G CA -0.086 44.977 45.100 -0.061 0.000 0.782 824 G HN 0.489 nan 8.290 nan 0.000 0.482 825 T N -1.173 113.303 114.554 -0.129 0.000 3.284 825 T HA 0.309 4.663 4.350 0.007 0.000 0.249 825 T C -0.240 174.358 174.700 -0.171 0.000 0.944 825 T CA -0.288 61.633 62.100 -0.298 0.000 0.919 825 T CB -0.499 67.960 68.868 -0.682 0.000 1.089 825 T HN 0.287 nan 8.240 nan 0.000 0.576 826 D N 1.731 122.132 120.400 0.002 0.000 2.472 826 D HA 0.468 5.112 4.640 0.007 0.000 0.237 826 D C 1.002 177.392 176.300 0.150 0.000 1.141 826 D CA 1.535 55.543 54.000 0.013 0.000 0.875 826 D CB 0.163 40.955 40.800 -0.012 0.000 1.192 826 D HN 0.746 nan 8.370 nan 0.000 0.450 827 G N 0.265 109.094 108.800 0.048 0.000 2.539 827 G HA2 -0.065 3.899 3.960 0.007 0.000 0.686 827 G HA3 -0.065 3.899 3.960 0.007 0.000 0.686 827 G C -0.823 174.173 174.900 0.159 0.000 1.258 827 G CA -1.193 43.979 45.100 0.121 0.000 0.846 827 G HN 0.294 nan 8.290 nan 0.000 0.647 828 F N 1.082 121.164 119.950 0.220 0.000 2.459 828 F HA 0.483 5.014 4.527 0.007 0.000 0.346 828 F C 1.709 177.709 175.800 0.333 0.000 1.128 828 F CA 1.053 59.170 58.000 0.194 0.000 1.268 828 F CB 0.988 40.058 39.000 0.116 0.000 1.161 828 F HN 0.720 nan 8.300 nan 0.000 0.583 829 G N 1.998 111.087 108.800 0.481 0.000 2.616 829 G HA2 0.603 4.567 3.960 0.007 0.000 0.268 829 G HA3 0.603 4.567 3.960 0.007 0.000 0.268 829 G C -0.836 174.235 174.900 0.286 0.000 1.213 829 G CA -0.737 44.619 45.100 0.426 0.000 0.926 829 G HN 0.769 nan 8.290 nan 0.000 0.523 830 R N -1.730 118.893 120.500 0.205 0.000 2.733 830 R HA 0.501 4.845 4.340 0.007 0.000 0.272 830 R C -1.295 175.041 176.300 0.059 0.000 1.029 830 R CA -0.830 55.317 56.100 0.078 0.000 0.888 830 R CB 0.691 30.973 30.300 -0.030 0.000 1.251 830 R HN 0.383 nan 8.270 nan 0.000 0.464 831 S N 0.535 116.247 115.700 0.020 0.000 2.513 831 S HA 0.457 4.931 4.470 0.007 0.000 0.276 831 S C -0.689 173.913 174.600 0.003 0.000 1.254 831 S CA -0.279 57.931 58.200 0.015 0.000 1.053 831 S CB 0.621 63.823 63.200 0.004 0.000 0.958 831 S HN 0.568 nan 8.310 nan 0.000 0.491 832 D N -0.110 120.301 120.400 0.018 0.000 2.918 832 D HA 0.122 4.766 4.640 0.007 0.000 0.342 832 D C -0.823 175.497 176.300 0.033 0.000 1.403 832 D CA -0.333 53.677 54.000 0.017 0.000 0.776 832 D CB 0.864 41.667 40.800 0.006 0.000 1.365 832 D HN 0.541 nan 8.370 nan 0.000 0.468 833 S N -0.306 115.417 115.700 0.037 0.000 2.614 833 S HA 0.360 4.834 4.470 0.007 0.000 0.265 833 S C 1.297 175.933 174.600 0.061 0.000 1.303 833 S CA -0.334 57.893 58.200 0.045 0.000 1.000 833 S CB 1.522 64.747 63.200 0.042 0.000 0.935 833 S HN 0.483 nan 8.310 nan 0.000 0.551 834 R N 0.600 121.139 120.500 0.064 0.000 2.096 834 R HA -0.119 4.225 4.340 0.007 0.000 0.235 834 R C 2.387 178.727 176.300 0.068 0.000 1.127 834 R CA 1.684 57.825 56.100 0.069 0.000 0.968 834 R CB -0.468 29.880 30.300 0.081 0.000 0.861 834 R HN 0.921 nan 8.270 nan 0.000 0.440 835 E N 0.888 121.130 120.200 0.070 0.000 2.038 835 E HA -0.209 4.145 4.350 0.007 0.000 0.195 835 E C 1.608 178.262 176.600 0.091 0.000 1.000 835 E CA 1.338 57.779 56.400 0.069 0.000 0.803 835 E CB 0.059 29.793 29.700 0.056 0.000 0.750 835 E HN 0.217 nan 8.360 nan 0.000 0.448 836 N N 0.400 119.151 118.700 0.086 0.000 2.166 836 N HA -0.127 4.617 4.740 0.007 0.000 0.186 836 N C 1.943 177.547 175.510 0.157 0.000 1.019 836 N CA 0.852 53.968 53.050 0.111 0.000 0.856 836 N CB -0.188 38.339 38.487 0.066 0.000 0.993 836 N HN 0.255 nan 8.380 nan 0.000 0.426 837 L N 0.427 121.740 121.223 0.149 0.000 2.093 837 L HA -0.045 4.299 4.340 0.007 0.000 0.208 837 L C 2.208 179.260 176.870 0.303 0.000 1.085 837 L CA 0.894 55.880 54.840 0.243 0.000 0.755 837 L CB -0.184 42.023 42.059 0.247 0.000 0.904 837 L HN 0.087 nan 8.230 nan 0.000 0.435 838 R N -1.477 119.127 120.500 0.174 0.000 2.189 838 R HA -0.145 4.199 4.340 0.007 0.000 0.218 838 R C 2.118 178.496 176.300 0.131 0.000 1.074 838 R CA 0.725 56.884 56.100 0.099 0.000 0.991 838 R CB -0.185 30.079 30.300 -0.061 0.000 0.883 838 R HN 0.313 nan 8.270 nan 0.000 0.457 839 H N -0.845 118.278 119.070 0.088 0.000 2.384 839 H HA -0.050 4.510 4.556 0.007 0.000 0.300 839 H C 1.920 177.270 175.328 0.037 0.000 1.057 839 H CA 1.642 57.778 56.048 0.146 0.000 1.370 839 H CB 0.060 29.926 29.762 0.174 0.000 1.417 839 H HN 0.233 nan 8.280 nan 0.000 0.527 840 H N -0.752 118.315 119.070 -0.006 0.000 2.352 840 H HA -0.121 4.439 4.556 0.007 0.000 0.299 840 H C 1.194 176.284 175.328 -0.397 0.000 1.097 840 H CA 2.036 57.954 56.048 -0.216 0.000 1.311 840 H CB -0.517 29.074 29.762 -0.284 0.000 1.377 840 H HN 0.342 nan 8.280 nan 0.000 0.504 841 F N 1.044 120.856 119.950 -0.230 0.000 2.804 841 F HA 0.083 4.614 4.527 0.007 0.000 0.303 841 F C 0.321 175.841 175.800 -0.466 0.000 1.154 841 F CA 0.592 58.400 58.000 -0.321 0.000 1.401 841 F CB -0.016 38.906 39.000 -0.130 0.000 1.106 841 F HN 0.217 nan 8.300 nan 0.000 0.568 842 E N -0.500 119.322 120.200 -0.631 0.000 2.252 842 E HA -0.230 4.124 4.350 0.007 0.000 0.218 842 E C 0.703 176.923 176.600 -0.635 0.000 1.253 842 E CA 0.372 55.953 56.400 -1.364 0.000 0.705 842 E CB -1.668 27.243 29.700 -1.315 0.000 1.172 842 E HN 0.374 nan 8.360 nan 0.000 0.369 843 V N -0.085 119.662 119.914 -0.279 0.000 3.451 843 V HA 0.008 4.132 4.120 0.007 0.000 0.288 843 V C 0.404 176.489 176.094 -0.014 0.000 1.502 843 V CA 0.664 62.907 62.300 -0.095 0.000 1.026 843 V CB 0.412 32.190 31.823 -0.075 0.000 0.840 843 V HN 0.458 nan 8.190 nan 0.000 0.437 844 D N 0.645 121.074 120.400 0.048 0.000 2.398 844 D HA 0.344 4.988 4.640 0.007 0.000 0.247 844 D C 1.513 177.878 176.300 0.108 0.000 1.227 844 D CA 0.438 54.476 54.000 0.063 0.000 0.980 844 D CB 1.066 41.939 40.800 0.121 0.000 1.106 844 D HN 0.108 nan 8.370 nan 0.000 0.493 845 A N 0.482 123.356 122.820 0.091 0.000 1.903 845 A HA -0.250 4.074 4.320 0.007 0.000 0.219 845 A C 2.188 179.686 177.584 -0.143 0.000 1.191 845 A CA 3.265 55.309 52.037 0.011 0.000 0.638 845 A CB -1.537 17.469 19.000 0.010 0.000 0.823 845 A HN 0.731 nan 8.150 nan 0.000 0.451 846 S N -1.484 114.060 115.700 -0.259 0.000 2.370 846 S HA -0.232 4.242 4.470 0.007 0.000 0.226 846 S C 1.886 176.282 174.600 -0.340 0.000 1.033 846 S CA 1.628 59.443 58.200 -0.641 0.000 1.011 846 S CB -0.879 61.980 63.200 -0.568 0.000 0.852 846 S HN 0.584 nan 8.310 nan 0.000 0.457 847 Y N 1.513 121.741 120.300 -0.119 0.000 2.314 847 Y HA 0.049 4.603 4.550 0.007 0.000 0.293 847 Y C 2.726 178.587 175.900 -0.066 0.000 1.129 847 Y CA 0.871 58.925 58.100 -0.077 0.000 1.201 847 Y CB -0.390 38.018 38.460 -0.087 0.000 0.999 847 Y HN 0.142 nan 8.280 nan 0.000 0.541 848 V N -1.286 118.671 119.914 0.072 0.000 2.358 848 V HA -0.252 3.873 4.120 0.007 0.000 0.246 848 V C 2.156 178.247 176.094 -0.005 0.000 1.047 848 V CA 1.461 63.781 62.300 0.033 0.000 1.035 848 V CB -0.743 31.101 31.823 0.034 0.000 0.658 848 V HN 0.204 nan 8.190 nan 0.000 0.452 849 V N -0.245 119.638 119.914 -0.051 0.000 2.261 849 V HA -0.234 3.890 4.120 0.007 0.000 0.246 849 V C 2.444 178.512 176.094 -0.044 0.000 1.047 849 V CA 2.051 64.320 62.300 -0.052 0.000 1.015 849 V CB -0.469 31.322 31.823 -0.054 0.000 0.642 849 V HN 0.400 nan 8.190 nan 0.000 0.446 850 V N 0.273 120.180 119.914 -0.013 0.000 2.332 850 V HA -0.286 3.838 4.120 0.007 0.000 0.248 850 V C 2.689 178.771 176.094 -0.019 0.000 1.055 850 V CA 2.067 64.362 62.300 -0.009 0.000 1.038 850 V CB -1.170 30.643 31.823 -0.016 0.000 0.651 850 V HN 0.572 nan 8.190 nan 0.000 0.450 851 A N -0.052 122.768 122.820 0.000 0.000 1.877 851 A HA -0.129 4.195 4.320 0.007 0.000 0.216 851 A C 2.436 180.010 177.584 -0.016 0.000 1.186 851 A CA 2.192 54.229 52.037 -0.001 0.000 0.620 851 A CB -0.819 18.184 19.000 0.006 0.000 0.822 851 A HN 0.573 nan 8.150 nan 0.000 0.443 852 A N -0.272 122.536 122.820 -0.019 0.000 1.877 852 A HA -0.021 4.303 4.320 0.007 0.000 0.216 852 A C 2.175 179.735 177.584 -0.039 0.000 1.186 852 A CA 1.478 53.505 52.037 -0.018 0.000 0.620 852 A CB -0.641 18.353 19.000 -0.011 0.000 0.822 852 A HN 0.470 nan 8.150 nan 0.000 0.443 853 L N -0.648 120.525 121.223 -0.083 0.000 2.083 853 L HA -0.129 4.215 4.340 0.007 0.000 0.209 853 L C 2.827 179.661 176.870 -0.059 0.000 1.083 853 L CA 1.046 55.819 54.840 -0.111 0.000 0.752 853 L CB -0.904 41.025 42.059 -0.216 0.000 0.899 853 L HN 0.498 nan 8.230 nan 0.000 0.433 854 G N -0.297 108.477 108.800 -0.043 0.000 2.440 854 G HA2 -0.248 3.716 3.960 0.007 0.000 0.218 854 G HA3 -0.248 3.716 3.960 0.007 0.000 0.218 854 G C 1.428 176.319 174.900 -0.014 0.000 1.154 854 G CA 0.636 45.722 45.100 -0.024 0.000 0.767 854 G HN 0.414 nan 8.290 nan 0.000 0.552 855 E N -0.037 120.156 120.200 -0.011 0.000 2.077 855 E HA -0.049 4.305 4.350 0.007 0.000 0.193 855 E C 2.598 179.199 176.600 0.002 0.000 0.989 855 E CA 0.620 57.020 56.400 -0.000 0.000 0.800 855 E CB -0.191 29.514 29.700 0.008 0.000 0.746 855 E HN 0.396 nan 8.360 nan 0.000 0.452 856 L N 0.473 121.695 121.223 -0.002 0.000 2.056 856 L HA -0.160 4.184 4.340 0.007 0.000 0.207 856 L C 2.613 179.485 176.870 0.003 0.000 1.078 856 L CA 0.919 55.761 54.840 0.004 0.000 0.749 856 L CB -0.516 41.544 42.059 0.002 0.000 0.901 856 L HN 0.150 nan 8.230 nan 0.000 0.433 857 A N 0.085 122.902 122.820 -0.004 0.000 1.933 857 A HA -0.203 4.121 4.320 0.007 0.000 0.218 857 A C 2.318 179.903 177.584 0.002 0.000 1.175 857 A CA 1.498 53.534 52.037 -0.001 0.000 0.628 857 A CB -0.340 18.656 19.000 -0.007 0.000 0.814 857 A HN 0.292 nan 8.150 nan 0.000 0.444 858 K N -0.260 120.140 120.400 0.000 0.000 2.147 858 K HA -0.147 4.177 4.320 0.007 0.000 0.205 858 K C 1.509 178.112 176.600 0.005 0.000 1.049 858 K CA 1.356 57.644 56.287 0.002 0.000 0.936 858 K CB -0.162 32.339 32.500 0.002 0.000 0.722 858 K HN 0.655 nan 8.250 nan 0.000 0.446 859 R N 0.030 120.535 120.500 0.007 0.000 2.426 859 R HA 0.120 4.464 4.340 0.007 0.000 0.263 859 R C 0.808 177.114 176.300 0.010 0.000 0.961 859 R CA 0.677 56.782 56.100 0.009 0.000 1.086 859 R CB -0.074 30.233 30.300 0.012 0.000 1.186 859 R HN 0.190 nan 8.270 nan 0.000 0.537 860 G N 1.693 110.499 108.800 0.009 0.000 2.166 860 G HA2 -0.343 3.621 3.960 0.007 0.000 0.260 860 G HA3 -0.343 3.621 3.960 0.007 0.000 0.260 860 G C 0.568 175.476 174.900 0.013 0.000 0.986 860 G CA 0.721 45.827 45.100 0.010 0.000 0.683 860 G HN 0.545 nan 8.290 nan 0.000 0.527 861 E N -0.464 119.745 120.200 0.015 0.000 2.427 861 E HA 0.246 4.600 4.350 0.007 0.000 0.196 861 E C 1.312 177.926 176.600 0.025 0.000 1.028 861 E CA 1.033 57.445 56.400 0.020 0.000 0.864 861 E CB 0.062 29.775 29.700 0.021 0.000 0.813 861 E HN 0.907 nan 8.360 nan 0.000 0.514 862 I N -3.123 117.460 120.570 0.022 0.000 2.918 862 I HA 0.361 4.535 4.170 0.007 0.000 0.301 862 I C -1.066 175.064 176.117 0.021 0.000 1.312 862 I CA -1.399 59.918 61.300 0.028 0.000 1.007 862 I CB 2.026 40.046 38.000 0.034 0.000 1.281 862 I HN -0.361 nan 8.210 nan 0.000 0.440 863 D N 3.219 123.634 120.400 0.026 0.000 2.424 863 D HA 0.134 4.779 4.640 0.007 0.000 0.244 863 D C 0.810 177.119 176.300 0.014 0.000 1.134 863 D CA 0.155 54.166 54.000 0.019 0.000 0.881 863 D CB 1.545 42.357 40.800 0.020 0.000 1.191 863 D HN 0.608 nan 8.370 nan 0.000 0.445 864 K N 2.384 122.789 120.400 0.007 0.000 2.211 864 K HA -0.152 4.172 4.320 0.007 0.000 0.204 864 K C 1.670 178.272 176.600 0.002 0.000 1.047 864 K CA 0.957 57.245 56.287 0.002 0.000 0.935 864 K CB 0.165 32.666 32.500 0.001 0.000 0.728 864 K HN 0.411 nan 8.250 nan 0.000 0.452 865 K N 0.642 121.046 120.400 0.006 0.000 2.147 865 K HA -0.104 4.220 4.320 0.007 0.000 0.205 865 K C 2.003 178.611 176.600 0.012 0.000 1.049 865 K CA 1.063 57.353 56.287 0.006 0.000 0.936 865 K CB -0.078 32.426 32.500 0.007 0.000 0.722 865 K HN -0.042 nan 8.250 nan 0.000 0.446 866 V N 1.027 120.958 119.914 0.027 0.000 2.343 866 V HA -0.228 3.896 4.120 0.007 0.000 0.247 866 V C 2.258 178.366 176.094 0.024 0.000 1.051 866 V CA 1.525 63.861 62.300 0.060 0.000 1.036 866 V CB -0.391 31.487 31.823 0.092 0.000 0.654 866 V HN 0.074 nan 8.190 nan 0.000 0.451 867 V N 0.424 120.331 119.914 -0.012 0.000 2.307 867 V HA -0.208 3.916 4.120 0.007 0.000 0.245 867 V C 2.730 178.809 176.094 -0.025 0.000 1.045 867 V CA 1.881 64.160 62.300 -0.035 0.000 1.024 867 V CB -1.280 30.524 31.823 -0.030 0.000 0.651 867 V HN 0.536 nan 8.190 nan 0.000 0.449 868 A N 0.218 123.029 122.820 -0.016 0.000 1.902 868 A HA -0.258 4.066 4.320 0.007 0.000 0.217 868 A C 1.969 179.536 177.584 -0.029 0.000 1.181 868 A CA 2.104 54.130 52.037 -0.018 0.000 0.623 868 A CB -0.662 18.331 19.000 -0.011 0.000 0.818 868 A HN 0.539 nan 8.150 nan 0.000 0.443 869 D N 0.047 120.431 120.400 -0.026 0.000 2.144 869 D HA -0.018 4.626 4.640 0.007 0.000 0.199 869 D C 2.184 178.421 176.300 -0.104 0.000 0.984 869 D CA 1.395 55.368 54.000 -0.046 0.000 0.834 869 D CB -0.411 40.378 40.800 -0.019 0.000 0.955 869 D HN 0.440 nan 8.370 nan 0.000 0.465 870 A N 0.781 123.543 122.820 -0.096 0.000 1.873 870 A HA -0.117 4.207 4.320 0.007 0.000 0.215 870 A C 2.355 179.814 177.584 -0.208 0.000 1.186 870 A CA 0.777 52.675 52.037 -0.232 0.000 0.616 870 A CB -0.717 18.245 19.000 -0.064 0.000 0.823 870 A HN 0.177 nan 8.150 nan 0.000 0.442 871 I N -0.191 120.346 120.570 -0.055 0.000 2.208 871 I HA -0.330 3.844 4.170 0.007 0.000 0.245 871 I C 2.941 179.041 176.117 -0.029 0.000 1.097 871 I CA 1.158 62.448 61.300 -0.017 0.000 1.363 871 I CB -0.306 37.680 38.000 -0.024 0.000 1.051 871 I HN 0.388 nan 8.210 nan 0.000 0.413 872 A N 0.594 123.377 122.820 -0.062 0.000 1.872 872 A HA -0.237 4.087 4.320 0.007 0.000 0.214 872 A C 2.389 179.925 177.584 -0.079 0.000 1.187 872 A CA 1.747 53.754 52.037 -0.051 0.000 0.614 872 A CB -0.522 18.448 19.000 -0.050 0.000 0.826 872 A HN 0.327 nan 8.150 nan 0.000 0.442 873 K N -0.946 119.338 120.400 -0.194 0.000 2.063 873 K HA -0.120 4.204 4.320 0.007 0.000 0.208 873 K C 1.147 177.644 176.600 -0.170 0.000 1.048 873 K CA 1.699 57.826 56.287 -0.266 0.000 0.928 873 K CB -0.332 31.873 32.500 -0.492 0.000 0.713 873 K HN 0.519 nan 8.250 nan 0.000 0.442 874 F N 1.053 121.012 119.950 0.015 0.000 2.769 874 F HA 0.137 4.668 4.527 0.007 0.000 0.304 874 F C -0.081 175.742 175.800 0.038 0.000 1.158 874 F CA -0.229 57.781 58.000 0.017 0.000 1.398 874 F CB -0.337 38.660 39.000 -0.005 0.000 1.094 874 F HN 0.144 nan 8.300 nan 0.000 0.553 875 N N 1.508 120.306 118.700 0.164 0.000 2.714 875 N HA -0.212 4.532 4.740 0.007 0.000 0.253 875 N C -0.603 175.058 175.510 0.252 0.000 1.024 875 N CA -0.143 52.995 53.050 0.147 0.000 0.726 875 N CB -1.081 37.466 38.487 0.100 0.000 0.908 875 N HN 0.302 nan 8.380 nan 0.000 0.542 876 I N 0.483 121.142 120.570 0.148 0.000 2.321 876 I HA 0.088 4.262 4.170 0.007 0.000 0.291 876 I C 0.282 176.429 176.117 0.050 0.000 0.998 876 I CA -0.477 60.847 61.300 0.041 0.000 1.227 876 I CB 1.057 38.925 38.000 -0.219 0.000 1.368 876 I HN 0.059 nan 8.210 nan 0.000 0.466 877 D N 6.114 126.564 120.400 0.083 0.000 2.422 877 D HA 0.238 4.882 4.640 0.007 0.000 0.227 877 D C 0.928 177.258 176.300 0.051 0.000 1.190 877 D CA -0.132 53.907 54.000 0.065 0.000 0.905 877 D CB 1.477 42.322 40.800 0.075 0.000 1.034 877 D HN 0.632 nan 8.370 nan 0.000 0.507 878 A N 3.776 126.616 122.820 0.034 0.000 2.125 878 A HA -0.118 4.206 4.320 0.007 0.000 0.219 878 A C 1.254 178.852 177.584 0.022 0.000 1.156 878 A CA 0.984 53.038 52.037 0.029 0.000 0.671 878 A CB 0.137 19.146 19.000 0.016 0.000 0.794 878 A HN 0.536 nan 8.150 nan 0.000 0.459 879 D N -0.958 119.454 120.400 0.019 0.000 2.440 879 D HA 0.093 4.737 4.640 0.007 0.000 0.216 879 D C 0.315 176.620 176.300 0.008 0.000 1.150 879 D CA -0.090 53.917 54.000 0.011 0.000 0.832 879 D CB 0.169 40.975 40.800 0.011 0.000 0.992 879 D HN 0.461 nan 8.370 nan 0.000 0.502 880 K N 1.585 121.991 120.400 0.010 0.000 2.414 880 K HA 0.076 4.400 4.320 0.007 0.000 0.272 880 K C 0.224 176.811 176.600 -0.021 0.000 0.993 880 K CA -0.249 56.038 56.287 0.001 0.000 0.964 880 K CB 1.244 33.744 32.500 -0.001 0.000 0.925 880 K HN -0.203 nan 8.250 nan 0.000 0.487 881 V N 4.071 123.973 119.914 -0.019 0.000 2.999 881 V HA -0.061 4.063 4.120 0.007 0.000 0.307 881 V C 0.229 176.284 176.094 -0.065 0.000 1.084 881 V CA -0.247 62.037 62.300 -0.026 0.000 1.155 881 V CB 0.762 32.581 31.823 -0.006 0.000 0.975 881 V HN 0.974 nan 8.190 nan 0.000 0.490 882 N N 6.042 124.707 118.700 -0.059 0.000 2.447 882 N HA 0.100 4.844 4.740 0.007 0.000 0.263 882 N C -1.762 173.682 175.510 -0.109 0.000 1.226 882 N CA -0.953 52.045 53.050 -0.086 0.000 0.906 882 N CB 1.437 39.892 38.487 -0.054 0.000 1.060 882 N HN 0.441 nan 8.380 nan 0.000 0.468 883 P HA -0.152 nan 4.420 nan 0.000 0.217 883 P C 1.223 178.503 177.300 -0.033 0.000 1.148 883 P CA 1.191 64.139 63.100 -0.254 0.000 0.828 883 P CB 0.141 31.594 31.700 -0.412 0.000 0.783 884 R N -0.153 120.337 120.500 -0.017 0.000 2.120 884 R HA -0.083 4.261 4.340 0.007 0.000 0.234 884 R C 1.714 178.028 176.300 0.023 0.000 1.123 884 R CA 1.166 57.267 56.100 0.001 0.000 0.975 884 R CB -0.557 29.725 30.300 -0.030 0.000 0.866 884 R HN 0.230 nan 8.270 nan 0.000 0.446 885 L N -0.018 121.219 121.223 0.024 0.000 2.554 885 L HA 0.263 4.607 4.340 0.007 0.000 0.225 885 L C 1.201 178.118 176.870 0.079 0.000 1.104 885 L CA -0.225 54.645 54.840 0.050 0.000 0.866 885 L CB -0.039 42.033 42.059 0.022 0.000 1.047 885 L HN 0.117 nan 8.230 nan 0.000 0.468 886 A N 0.000 122.868 122.820 0.080 0.000 2.254 886 A HA 0.000 4.324 4.320 0.007 0.000 0.244 886 A CA 0.000 52.096 52.037 0.099 0.000 0.836 886 A CB 0.000 19.081 19.000 0.136 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486